For BMRB entry 17614: ############################################################################ For conformer 1: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 120.511 2.584 RESID 15 (V): C 176.453 176.453 175.377 1.076 RESID 15 (V): CA 63.979 63.979 60.915 3.064 RESID 15 (V): CB 32.507 32.507 34.886 -2.379 RESID 15 (V): H 8.053 8.053 8.255 -0.202 RESID 16 (K): N 123.075 123.075 121.787 1.288 RESID 16 (K): C 176.841 176.841 178.777 -1.936 RESID 16 (K): CA 59.762 59.762 59.878 -0.116 RESID 16 (K): CB 32.751 32.751 32.453 0.298 RESID 16 (K): H 8.059 8.059 8.532 -0.473 RESID 17 (F): N 118.838 118.838 120.464 -1.626 RESID 17 (F): C 175.443 175.443 177.470 -2.027 RESID 17 (F): CA 59.915 59.915 60.573 -0.658 RESID 17 (F): CB 39.659 39.659 38.804 0.855 RESID 17 (F): H 7.909 7.909 8.069 -0.160 RESID 18 (L): N 119.089 119.089 120.076 -0.987 RESID 18 (L): C 177.195 177.195 177.640 -0.445 RESID 18 (L): CA 55.385 55.385 56.852 -1.467 RESID 18 (L): CB 42.905 42.905 41.902 1.003 RESID 18 (L): H 7.814 7.814 8.174 -0.360 RESID 19 (G): N 108.484 108.484 107.906 0.578 RESID 19 (G): C 174.967 174.967 175.264 -0.297 RESID 19 (G): CA 45.518 45.518 47.167 -1.649 RESID 19 (G): H 8.032 8.032 8.477 -0.445 RESID 20 (A): N 124.208 124.208 123.469 0.739 RESID 20 (A): C 179.405 179.405 179.433 -0.028 RESID 20 (A): CA 54.531 54.531 54.483 0.048 RESID 20 (A): CB 18.995 18.995 18.171 0.824 RESID 20 (A): H 8.318 8.318 8.010 0.308 RESID 21 (G): N 108.209 108.209 107.063 1.146 RESID 21 (G): C 175.676 175.676 176.198 -0.522 RESID 21 (G): CA 46.742 46.742 47.369 -0.627 RESID 21 (G): H 8.523 8.523 8.051 0.472 RESID 22 (T): N 119.542 119.542 115.144 4.398 RESID 22 (T): C 175.661 175.661 176.072 -0.411 RESID 22 (T): CA 66.401 66.401 65.656 0.745 RESID 22 (T): CB 68.866 68.866 68.436 0.430 RESID 22 (T): H 7.881 7.881 8.298 -0.417 RESID 23 (A): N 123.431 123.431 124.062 -0.631 RESID 23 (A): C 178.628 178.628 179.073 -0.445 RESID 23 (A): CA 55.480 55.480 54.856 0.624 RESID 23 (A): CB 18.218 18.218 18.027 0.191 RESID 23 (A): H 8.263 8.263 7.478 0.785 RESID 24 (A): N 119.939 119.939 120.280 -0.341 RESID 24 (A): C 179.172 179.172 179.345 -0.173 RESID 24 (A): CA 55.038 55.038 54.917 0.121 RESID 24 (A): CB 18.385 18.385 18.147 0.238 RESID 24 (A): H 7.827 7.827 8.050 -0.223 RESID 25 (C): N 116.736 116.736 116.686 0.050 RESID 25 (C): C 176.220 176.220 176.730 -0.510 RESID 25 (C): CA 58.596 58.596 64.004 -5.408 RESID 25 (C): CB 41.771 41.771 27.899 13.872 RESID 25 (C): H 7.677 7.677 7.470 0.207 RESID 26 (I): N 119.154 119.154 119.283 -0.129 RESID 26 (I): C 176.915 176.915 177.219 -0.304 RESID 26 (I): CA 64.858 64.858 63.982 0.876 RESID 26 (I): CB 38.090 38.090 36.523 1.567 RESID 26 (I): H 7.899 7.899 7.356 0.543 RESID 27 (A): N 121.116 121.116 122.819 -1.703 RESID 27 (A): C 179.016 179.016 178.993 0.023 RESID 27 (A): CA 55.367 55.367 55.021 0.346 RESID 27 (A): CB 18.385 18.385 18.821 -0.436 RESID 27 (A): H 7.909 7.909 7.591 0.318 RESID 28 (D): N 116.829 116.829 116.961 -0.132 RESID 28 (D): C 177.643 177.643 178.124 -0.481 RESID 28 (D): CA 56.453 56.453 55.845 0.608 RESID 28 (D): CB 41.128 41.128 40.260 0.868 RESID 28 (D): H 7.554 7.554 7.640 -0.086 RESID 29 (L): N 119.672 119.672 121.359 -1.687 RESID 29 (L): C 178.628 178.628 178.937 -0.309 RESID 29 (L): CA 57.144 57.144 58.234 -1.090 RESID 29 (L): CB 43.146 43.146 42.324 0.822 RESID 29 (L): H 7.732 7.732 7.362 0.370 RESID 30 (I): N 113.629 113.629 113.130 0.499 RESID 30 (I): C 176.456 176.456 176.835 -0.379 RESID 30 (I): CA 60.539 60.539 63.689 -3.150 RESID 30 (I): CB 38.506 38.506 37.386 1.120 RESID 30 (I): H 7.977 7.977 7.628 0.349 RESID 31 (T): N 113.314 113.314 115.597 -2.283 RESID 31 (T): C 174.045 174.045 175.216 -1.171 RESID 31 (T): CA 62.495 62.495 63.921 -1.426 RESID 31 (T): CB 69.898 69.898 70.117 -0.219 RESID 31 (T): H 7.738 7.738 7.101 0.637 RESID 32 (F): N 123.409 123.409 123.470 -0.061 RESID 32 (F): CA 56.349 56.349 62.960 -6.611 RESID 32 (F): CB 39.148 39.148 37.368 1.780 RESID 32 (F): H 7.609 7.609 8.622 -1.013 RESID 33 (P): C 177.831 177.831 177.506 0.325 RESID 33 (P): CA 62.656 62.656 65.309 -2.653 RESID 33 (P): CB 34.762 34.762 31.269 3.493 RESID 34 (L): N 124.503 124.503 117.131 7.372 RESID 34 (L): C 176.298 176.298 178.345 -2.047 RESID 34 (L): CA 55.545 55.545 57.304 -1.759 RESID 34 (L): CB 43.287 43.287 41.499 1.788 RESID 34 (L): H 8.659 8.659 7.242 1.417 RESID 35 (D): N 121.663 121.663 118.163 3.500 RESID 35 (D): C 177.152 177.152 178.143 -0.991 RESID 35 (D): CA 54.326 54.326 56.906 -2.580 RESID 35 (D): CB 41.154 41.154 39.579 1.575 RESID 35 (D): H 8.236 8.236 7.753 0.483 RESID 36 (T): N 115.977 115.977 112.632 3.345 RESID 36 (T): C 177.088 177.088 176.211 0.877 RESID 36 (T): CA 64.868 64.868 65.824 -0.956 RESID 36 (T): CB 69.053 69.053 68.040 1.013 RESID 36 (T): H 8.127 8.127 7.943 0.184 RESID 37 (A): N 125.063 125.063 124.188 0.875 RESID 37 (A): C 179.143 179.143 179.512 -0.369 RESID 37 (A): CA 55.234 55.234 55.103 0.131 RESID 37 (A): CB 18.735 18.735 18.337 0.398 RESID 37 (A): H 8.042 8.042 8.642 -0.600 RESID 38 (K): N 117.827 117.827 118.245 -0.418 RESID 38 (K): C 178.239 178.239 178.419 -0.180 RESID 38 (K): CA 58.861 58.861 59.104 -0.243 RESID 38 (K): CB 32.724 32.724 32.302 0.422 RESID 38 (K): H 7.759 7.759 7.623 0.136 RESID 39 (V): N 118.955 118.955 115.380 3.575 RESID 39 (V): C 177.892 177.892 177.797 0.095 RESID 39 (V): CA 65.478 65.478 65.040 0.438 RESID 39 (V): CB 34.675 34.675 31.350 3.325 RESID 39 (V): H 7.554 7.554 7.574 -0.020 RESID 40 (R): N 119.922 119.922 120.311 -0.389 RESID 40 (R): C 178.391 178.391 178.999 -0.608 RESID 40 (R): CA 59.648 59.648 57.693 1.955 RESID 40 (R): CB 29.933 29.933 29.817 0.116 RESID 40 (R): H 7.794 7.794 7.495 0.299 RESID 41 (L): N 118.720 118.720 119.977 -1.257 RESID 41 (L): CA 54.749 54.749 55.228 -0.479 RESID 41 (L): CB 40.429 40.429 40.811 -0.382 RESID 41 (L): H 7.534 7.534 7.618 -0.084 RESID 49 (G): C 174.779 174.779 175.368 -0.589 RESID 50 (L): N 123.029 123.029 121.852 1.177 RESID 50 (L): C 178.482 178.482 179.063 -0.581 RESID 50 (L): CA 56.765 56.765 56.899 -0.134 RESID 50 (L): CB 41.673 41.673 41.418 0.255 RESID 50 (L): H 8.113 8.113 7.961 0.152 RESID 51 (V): N 118.714 118.714 119.406 -0.692 RESID 51 (V): C 178.032 178.032 178.348 -0.316 RESID 51 (V): CA 66.037 66.037 65.792 0.245 RESID 51 (V): CB 30.763 30.763 31.507 -0.744 RESID 51 (V): H 7.974 7.974 8.115 -0.141 RESID 52 (R): N 121.569 121.569 117.495 4.074 RESID 52 (R): CA 59.167 59.167 58.556 0.611 RESID 52 (R): CB 29.437 29.437 29.567 -0.129 RESID 52 (R): H 8.231 8.231 8.301 -0.070 RESID 53 (T): C 175.108 175.108 174.766 0.342 RESID 53 (T): H 7.948 7.948 7.504 0.444 RESID 54 (A): N 121.823 121.823 123.766 -1.943 RESID 54 (A): C 174.922 174.922 175.692 -0.770 RESID 54 (A): CA 50.101 50.101 51.532 -1.431 RESID 54 (A): CB 18.950 18.950 19.828 -0.878 RESID 54 (A): H 7.792 7.792 7.564 0.228 RESID 55 (A): N 113.986 113.986 125.889 -11.903 RESID 55 (A): C 178.007 178.007 177.158 0.849 RESID 55 (A): CA 53.458 53.458 53.100 0.358 RESID 55 (A): CB 18.809 18.809 18.647 0.162 RESID 55 (A): H 7.333 7.333 8.620 -1.287 RESID 56 (S): N 125.425 125.425 114.825 10.600 RESID 56 (S): C 174.899 174.899 173.790 1.109 RESID 56 (S): CA 59.520 59.520 57.568 1.952 RESID 56 (S): CB 64.051 64.051 64.834 -0.783 RESID 56 (S): H 7.786 7.786 7.531 0.255 RESID 57 (A): N 118.183 118.183 121.412 -3.229 RESID 57 (A): CA 53.783 53.783 52.563 1.220 RESID 57 (A): CB 17.599 17.599 18.020 -0.421 RESID 57 (A): H 8.018 8.018 7.968 0.050 RESID 59 (Y): C 177.662 177.662 176.232 1.430 RESID 60 (R): N 122.798 122.798 120.474 2.324 RESID 60 (R): C 177.956 177.956 176.681 1.275 RESID 60 (R): CA 58.711 58.711 57.354 1.357 RESID 60 (R): CB 30.659 30.659 30.212 0.448 RESID 60 (R): H 8.311 8.311 8.668 -0.357 RESID 61 (G): N 109.033 109.033 107.254 1.779 RESID 61 (G): C 176.064 176.064 175.606 0.458 RESID 61 (G): CA 46.592 46.592 45.458 1.134 RESID 61 (G): H 8.182 8.182 8.127 0.055 RESID 62 (V): N 123.218 123.218 123.435 -0.217 RESID 62 (V): C 177.540 177.540 177.361 0.179 RESID 62 (V): CA 66.277 66.277 64.314 1.963 RESID 62 (V): CB 32.355 32.355 31.781 0.574 RESID 62 (V): H 8.105 8.105 8.350 -0.245 RESID 63 (L): N 120.295 120.295 120.708 -0.413 RESID 63 (L): C 178.628 178.628 179.446 -0.818 RESID 63 (L): CA 58.366 58.366 57.678 0.688 RESID 63 (L): CB 41.675 41.675 39.806 1.869 RESID 63 (L): H 8.182 8.182 8.390 -0.208 RESID 64 (G): N 106.013 106.013 106.059 -0.046 RESID 64 (G): C 176.531 176.531 176.176 0.355 RESID 64 (G): CA 47.765 47.765 47.236 0.529 RESID 64 (G): H 8.102 8.102 8.387 -0.285 RESID 65 (T): N 120.842 120.842 115.948 4.894 RESID 65 (T): C 176.453 176.453 176.470 -0.017 RESID 65 (T): CA 67.140 67.140 65.356 1.784 RESID 65 (T): CB 69.161 69.161 68.893 0.268 RESID 65 (T): H 7.854 7.854 7.464 0.390 RESID 66 (I): N 122.676 122.676 122.908 -0.232 RESID 66 (I): C 177.307 177.307 177.009 0.298 RESID 66 (I): CA 65.832 65.832 64.177 1.655 RESID 66 (I): CB 38.090 38.090 38.055 0.035 RESID 66 (I): H 8.018 8.018 7.453 0.565 RESID 67 (L): N 119.838 119.838 119.316 0.522 RESID 67 (L): C 178.706 178.706 178.707 -0.001 RESID 67 (L): CA 58.491 58.491 57.978 0.513 RESID 67 (L): CB 41.387 41.387 40.765 0.622 RESID 67 (L): H 8.291 8.291 7.578 0.713 RESID 68 (T): N 115.362 115.362 115.000 0.362 RESID 68 (T): C 176.764 176.764 176.459 0.305 RESID 68 (T): CA 67.040 67.040 66.723 0.317 RESID 68 (T): CB 69.403 69.403 68.885 0.518 RESID 68 (T): H 7.963 7.963 7.234 0.729 RESID 69 (M): N 122.960 122.960 119.822 3.138 RESID 69 (M): C 177.153 177.153 177.835 -0.682 RESID 69 (M): CA 59.710 59.710 59.181 0.529 RESID 69 (M): CB 33.111 33.111 32.273 0.838 RESID 69 (M): H 7.977 7.977 7.636 0.341 RESID 70 (V): N 119.558 119.558 119.880 -0.322 RESID 70 (V): C 176.841 176.841 177.381 -0.540 RESID 70 (V): CA 66.277 66.277 65.416 0.861 RESID 70 (V): CB 31.362 31.362 31.906 -0.544 RESID 70 (V): H 7.751 7.751 7.610 0.141 RESID 71 (R): N 118.002 118.002 118.413 -0.411 RESID 71 (R): C 177.152 177.152 177.877 -0.725 RESID 71 (R): CA 58.761 58.761 58.209 0.552 RESID 71 (R): CB 30.656 30.656 30.103 0.553 RESID 71 (R): H 7.827 7.827 7.676 0.151 RESID 72 (T): N 111.410 111.410 114.390 -2.980 RESID 72 (T): C 175.288 175.288 175.679 -0.391 RESID 72 (T): CA 64.194 64.194 65.355 -1.161 RESID 72 (T): CB 70.312 70.312 69.107 1.205 RESID 72 (T): H 7.745 7.745 7.733 0.012 RESID 73 (E): N 120.577 120.577 119.396 1.181 RESID 73 (E): C 177.696 177.696 176.293 1.403 RESID 73 (E): CA 57.363 57.363 56.051 1.312 RESID 73 (E): CB 30.927 30.927 31.570 -0.642 RESID 73 (E): H 8.263 8.263 8.055 0.208 RESID 74 (G): N 108.209 108.209 105.243 2.966 RESID 74 (G): CA 45.593 45.593 44.709 0.884 RESID 74 (G): H 7.841 7.841 7.372 0.469 RESID 75 (P): C 177.152 177.152 178.476 -1.324 RESID 75 (P): CA 65.652 65.652 64.586 1.066 RESID 75 (P): CB 32.294 32.294 32.195 0.099 RESID 76 (R): N 118.553 118.553 117.194 1.359 RESID 76 (R): C 177.696 177.696 177.834 -0.138 RESID 76 (R): CA 59.785 59.785 58.044 1.741 RESID 76 (R): CB 29.671 29.671 29.201 0.470 RESID 76 (R): H 8.427 8.427 8.645 -0.218 RESID 77 (S): N 115.323 115.323 113.781 1.542 RESID 77 (S): C 177.230 177.230 175.640 1.590 RESID 77 (S): CA 61.318 61.318 60.790 0.528 RESID 77 (S): CB 63.281 63.281 63.557 -0.276 RESID 77 (S): H 7.963 7.963 8.064 -0.101 RESID 78 (L): N 122.598 122.598 119.416 3.182 RESID 78 (L): C 177.696 177.696 177.563 0.133 RESID 78 (L): CA 57.792 57.792 56.821 0.971 RESID 78 (L): CB 42.202 42.202 42.300 -0.097 RESID 78 (L): H 7.595 7.595 7.525 0.070 RESID 79 (Y): N 119.276 119.276 112.983 6.293 RESID 79 (Y): C 176.142 176.142 175.189 0.953 RESID 79 (Y): CA 60.792 60.792 58.589 2.203 RESID 79 (Y): CB 38.687 38.687 38.852 -0.165 RESID 79 (Y): H 7.868 7.868 7.477 0.391 RESID 80 (N): N 117.249 117.249 118.220 -0.971 RESID 80 (N): C 178.472 178.472 175.572 2.900 RESID 80 (N): CA 53.024 53.024 53.135 -0.111 RESID 80 (N): CB 37.946 37.946 38.851 -0.905 RESID 80 (N): H 8.374 8.374 7.338 1.036 RESID 81 (G): N 108.575 108.575 114.218 -5.643 RESID 81 (G): C 175.521 175.521 175.393 0.128 RESID 81 (G): CA 46.266 46.266 45.636 0.630 RESID 81 (G): H 8.086 8.086 8.574 -0.488 RESID 82 (L): N 124.326 124.326 121.447 2.879 RESID 82 (L): C 178.239 178.239 177.878 0.361 RESID 82 (L): CA 58.217 58.217 57.664 0.553 RESID 82 (L): CB 42.351 42.351 41.376 0.975 RESID 82 (L): H 7.991 7.991 7.267 0.724 RESID 83 (V): N 117.727 117.727 114.210 3.517 RESID 83 (V): C 177.851 177.851 177.401 0.450 RESID 83 (V): CA 64.113 64.113 64.833 -0.720 RESID 83 (V): CB 31.924 31.924 31.018 0.906 RESID 83 (V): H 8.004 8.004 7.980 0.024 RESID 84 (A): N 121.414 121.414 122.579 -1.165 RESID 84 (A): C 180.570 180.570 179.511 1.059 RESID 84 (A): CA 55.031 55.031 54.645 0.386 RESID 84 (A): CB 18.286 18.286 18.207 0.079 RESID 84 (A): H 7.677 7.677 7.536 0.141 RESID 85 (G): N 106.471 106.471 107.591 -1.120 RESID 85 (G): C 175.521 175.521 176.027 -0.506 RESID 85 (G): CA 47.191 47.191 46.681 0.510 RESID 85 (G): H 7.963 7.963 7.675 0.288 RESID 86 (L): N 122.326 122.326 122.103 0.223 RESID 86 (L): C 178.239 178.239 178.727 -0.488 RESID 86 (L): CA 57.493 57.493 57.846 -0.353 RESID 86 (L): CB 42.202 42.202 41.694 0.507 RESID 86 (L): H 8.100 8.100 7.505 0.595 RESID 87 (Q): N 117.736 117.736 117.887 -0.151 RESID 87 (Q): C 177.340 177.340 178.031 -0.691 RESID 87 (Q): CA 57.787 57.787 59.065 -1.278 RESID 87 (Q): CB 28.942 28.942 28.514 0.428 RESID 87 (Q): H 8.004 8.004 7.791 0.213 RESID 88 (R): N 118.107 118.107 119.402 -1.295 RESID 88 (R): C 177.930 177.930 178.469 -0.539 RESID 88 (R): CA 58.062 58.062 59.414 -1.353 RESID 88 (R): CB 30.774 30.774 29.810 0.964 RESID 88 (R): H 7.568 7.568 7.378 0.190 RESID 89 (Q): N 117.921 117.921 118.555 -0.634 RESID 89 (Q): C 177.375 177.375 178.411 -1.036 RESID 89 (Q): CA 56.838 56.838 58.506 -1.668 RESID 89 (Q): CB 29.006 29.006 28.646 0.360 RESID 89 (Q): H 7.827 7.827 7.484 0.343 RESID 90 (M): N 118.378 118.378 119.110 -0.732 RESID 90 (M): C 176.365 176.365 177.696 -1.331 RESID 90 (M): CA 56.339 56.339 58.915 -2.576 RESID 90 (M): CB 33.444 33.444 32.688 0.756 RESID 90 (M): H 7.963 7.963 8.379 -0.416 RESID 91 (S): N 115.089 115.089 113.748 1.341 RESID 91 (S): C 175.899 175.899 176.581 -0.682 RESID 91 (S): CA 58.621 58.621 60.981 -2.360 RESID 91 (S): CB 64.337 64.337 63.263 1.074 RESID 91 (S): H 7.868 7.868 7.705 0.163 RESID 92 (F): N 122.852 122.852 122.664 0.188 RESID 92 (F): C 177.375 177.375 176.520 0.855 RESID 92 (F): CA 59.095 59.095 60.967 -1.871 RESID 92 (F): CB 38.937 38.937 39.057 -0.120 RESID 92 (F): H 8.332 8.332 7.621 0.711 RESID 93 (A): N 123.258 123.258 119.930 3.328 RESID 93 (A): C 178.628 178.628 179.105 -0.477 RESID 93 (A): CA 54.881 54.881 54.261 0.620 RESID 93 (A): CB 17.902 17.902 18.095 -0.192 RESID 93 (A): H 8.223 8.223 7.769 0.454 RESID 94 (S): N 112.886 112.886 115.145 -2.259 RESID 94 (S): C 176.831 176.831 177.134 -0.303 RESID 94 (S): CA 60.319 60.319 61.270 -0.951 RESID 94 (S): CB 63.611 63.611 63.602 0.008 RESID 94 (S): H 7.977 7.977 7.631 0.346 RESID 95 (V): N 121.854 121.854 122.175 -0.321 RESID 95 (V): C 176.220 176.220 175.714 0.506 RESID 95 (V): CA 64.629 64.629 64.200 0.429 RESID 95 (V): CB 31.328 31.328 31.840 -0.512 RESID 95 (V): H 7.581 7.581 8.080 -0.499 RESID 96 (R): N 121.329 121.329 117.319 4.010 RESID 96 (R): C 176.814 176.814 177.189 -0.375 RESID 96 (R): CA 58.636 58.636 57.783 0.853 RESID 96 (R): CB 30.672 30.672 29.406 1.266 RESID 96 (R): H 7.936 7.936 7.195 0.741 RESID 97 (I): N 119.194 119.194 117.879 1.315 RESID 97 (I): C 177.152 177.152 176.205 0.947 RESID 97 (I): CA 63.296 63.296 61.338 1.958 RESID 97 (I): CB 38.757 38.757 38.227 0.530 RESID 97 (I): H 7.802 7.802 7.378 0.424 RESID 98 (G): N 109.857 109.857 106.863 2.994 RESID 98 (G): C 176.064 176.064 174.794 1.270 RESID 98 (G): CA 46.941 46.941 45.740 1.201 RESID 98 (G): H 8.127 8.127 7.593 0.534 RESID 99 (L): N 123.258 123.258 123.199 0.059 RESID 99 (L): C 177.856 177.856 177.514 0.342 RESID 99 (L): CA 58.264 58.264 56.363 1.901 RESID 99 (L): CB 42.488 42.488 42.141 0.347 RESID 99 (L): H 8.223 8.223 8.640 -0.417 RESID 100 (Y): N 119.770 119.770 120.002 -0.232 RESID 100 (Y): C 176.997 176.997 176.707 0.290 RESID 100 (Y): CA 61.592 61.592 62.016 -0.424 RESID 100 (Y): CB 38.809 38.809 38.491 0.318 RESID 100 (Y): H 8.207 8.207 7.958 0.249 RESID 101 (D): N 118.460 118.460 117.064 1.396 RESID 101 (D): C 178.939 178.939 178.539 0.400 RESID 101 (D): CA 57.797 57.797 56.879 0.918 RESID 101 (D): CB 40.498 40.498 39.807 0.691 RESID 101 (D): H 8.401 8.401 8.655 -0.254 RESID 102 (S): N 116.022 116.022 116.889 -0.867 RESID 102 (S): C 176.005 176.005 176.559 -0.554 RESID 102 (S): CA 62.791 62.791 61.673 1.118 RESID 102 (S): CB 64.211 64.211 62.972 1.239 RESID 102 (S): H 7.854 7.854 7.889 -0.035 RESID 103 (V): N 120.844 120.844 120.959 -0.115 RESID 103 (V): C 177.307 177.307 177.399 -0.092 RESID 103 (V): CA 66.510 66.510 65.723 0.787 RESID 103 (V): CB 31.965 31.965 31.590 0.375 RESID 103 (V): H 7.926 7.926 7.463 0.463 RESID 104 (K): N 120.468 120.468 120.097 0.371 RESID 104 (K): C 178.861 178.861 178.603 0.258 RESID 104 (K): CA 60.184 60.184 59.501 0.683 RESID 104 (K): CB 31.979 31.979 32.095 -0.116 RESID 104 (K): H 8.127 8.127 7.558 0.569 RESID 105 (Q): N 118.386 118.386 117.130 1.256 RESID 105 (Q): C 177.540 177.540 178.074 -0.534 RESID 105 (Q): CA 58.786 58.786 57.963 0.823 RESID 105 (Q): CB 28.377 28.377 28.740 -0.363 RESID 105 (Q): H 7.841 7.841 7.838 0.003 RESID 106 (F): N 119.471 119.471 118.176 1.295 RESID 106 (F): C 176.531 176.531 175.923 0.608 RESID 106 (F): CA 60.593 60.593 59.749 0.844 RESID 106 (F): CB 39.459 39.459 39.749 -0.290 RESID 106 (F): H 7.772 7.772 7.628 0.144 RESID 107 (Y): N 118.288 118.288 117.897 0.391 RESID 107 (Y): C 176.220 176.220 175.857 0.363 RESID 107 (Y): CA 60.543 60.543 59.820 0.723 RESID 107 (Y): CB 38.819 38.819 40.964 -2.145 RESID 107 (Y): H 8.045 8.045 7.467 0.578 RESID 108 (T): N 113.383 113.383 114.745 -1.362 RESID 108 (T): C 175.288 175.288 173.738 1.550 RESID 108 (T): CA 64.094 64.094 62.676 1.417 RESID 108 (T): CB 69.986 69.986 69.037 0.949 RESID 108 (T): H 7.868 7.868 7.625 0.243 RESID 113 (H): C 173.413 173.413 173.930 -0.517 RESID 113 (H): H 7.968 7.968 8.460 -0.492 RESID 114 (A): N 119.456 119.456 123.993 -4.537 RESID 114 (A): C 177.851 177.851 176.206 1.645 RESID 114 (A): CA 53.283 53.283 52.634 0.649 RESID 114 (A): CB 19.362 19.362 18.950 0.412 RESID 114 (A): H 8.433 8.433 8.167 0.266 RESID 115 (G): N 108.484 108.484 106.018 2.466 RESID 115 (G): C 174.822 174.822 175.057 -0.235 RESID 115 (G): CA 45.968 45.968 45.060 0.908 RESID 115 (G): H 8.250 8.250 8.077 0.173 RESID 116 (I): N 121.139 121.139 121.203 -0.064 RESID 116 (I): C 176.841 176.841 176.715 0.126 RESID 116 (I): CA 63.160 63.160 64.009 -0.849 RESID 116 (I): CB 38.853 38.853 38.028 0.826 RESID 116 (I): H 8.127 8.127 8.134 -0.007 RESID 117 (G): N 110.863 110.863 107.446 3.417 RESID 117 (G): C 174.588 174.588 175.722 -1.134 RESID 117 (G): CA 46.791 46.791 46.984 -0.193 RESID 117 (G): H 8.509 8.509 8.489 0.020 RESID 118 (S): N 116.069 116.069 117.649 -1.580 RESID 118 (S): C 175.754 175.754 176.846 -1.092 RESID 118 (S): CA 60.319 60.319 61.206 -0.887 RESID 118 (S): CB 63.864 63.864 62.795 1.069 RESID 118 (S): H 7.991 7.991 8.056 -0.065 RESID 119 (R): N 122.134 122.134 122.396 -0.262 RESID 119 (R): C 178.228 178.228 178.843 -0.615 RESID 119 (R): CA 57.787 57.787 59.237 -1.450 RESID 119 (R): CB 30.549 30.549 29.664 0.885 RESID 119 (R): H 7.963 7.963 8.273 -0.310 RESID 120 (L): N 120.403 120.403 120.933 -0.530 RESID 120 (L): C 177.230 177.230 179.113 -1.883 RESID 120 (L): CA 57.967 57.967 58.168 -0.201 RESID 120 (L): CB 42.146 42.146 41.720 0.426 RESID 120 (L): H 7.914 7.914 7.663 0.251 RESID 121 (L): N 118.960 118.960 119.509 -0.549 RESID 121 (L): C 177.152 177.152 179.116 -1.964 RESID 121 (L): CA 55.495 55.495 58.079 -2.584 RESID 121 (L): CB 42.238 42.238 41.318 0.920 RESID 121 (L): H 7.718 7.718 8.264 -0.546 RESID 122 (A): N 123.063 123.063 121.410 1.653 RESID 122 (A): C 178.317 178.317 179.576 -1.259 RESID 122 (A): CA 53.358 53.358 55.304 -1.946 RESID 122 (A): CB 19.218 19.218 17.912 1.306 RESID 122 (A): H 7.745 7.745 8.811 -1.066 RESID 123 (G): N 107.843 107.843 106.603 1.240 RESID 123 (G): C 176.912 176.912 176.460 0.452 RESID 123 (G): CA 45.943 45.943 46.943 -1.000 RESID 123 (G): H 8.113 8.113 8.776 -0.663 RESID 124 (S): N 116.105 116.105 118.143 -2.038 RESID 124 (S): C 175.574 175.574 176.961 -1.387 RESID 124 (S): CA 59.145 59.145 62.166 -3.022 RESID 124 (S): CB 64.211 64.211 63.136 1.075 RESID 124 (S): H 8.109 8.109 8.502 -0.393 RESID 125 (T): N 116.069 116.069 118.126 -2.057 RESID 125 (T): C 176.055 176.055 176.649 -0.594 RESID 125 (T): CA 66.921 66.921 66.389 0.532 RESID 125 (T): CB 69.682 69.682 68.602 1.080 RESID 125 (T): H 8.086 8.086 8.215 -0.129 RESID 126 (T): N 115.439 115.439 117.363 -1.924 RESID 126 (T): C 177.443 177.443 176.608 0.835 RESID 126 (T): CA 65.285 65.285 65.982 -0.697 RESID 126 (T): CB 68.364 68.364 68.359 0.005 RESID 126 (T): H 7.977 7.977 8.202 -0.225 RESID 127 (G): N 115.453 115.453 108.362 7.091 RESID 127 (G): C 174.215 174.215 175.041 -0.826 RESID 127 (G): CA 46.117 46.117 46.890 -0.773 RESID 127 (G): H 8.168 8.168 7.983 0.185 RESID 128 (A): N 123.952 123.952 124.294 -0.342 RESID 128 (A): C 178.162 178.162 179.176 -1.014 RESID 128 (A): CA 53.349 53.349 54.765 -1.416 RESID 128 (A): CB 19.099 19.099 18.493 0.606 RESID 128 (A): H 7.919 7.919 7.404 0.515 RESID 129 (L): N 120.025 120.025 119.220 0.805 RESID 129 (L): C 177.949 177.949 178.858 -0.909 RESID 129 (L): CA 56.019 56.019 57.033 -1.014 RESID 129 (L): CB 42.340 42.340 40.876 1.464 RESID 129 (L): H 7.936 7.936 7.579 0.357 RESID 130 (A): N 123.402 123.402 121.604 1.798 RESID 130 (A): C 177.929 177.929 179.564 -1.635 RESID 130 (A): CA 53.283 53.283 55.014 -1.731 RESID 130 (A): CB 18.964 18.964 18.555 0.409 RESID 130 (A): H 7.868 7.868 8.063 -0.195 RESID 131 (V): N 118.111 118.111 114.604 3.507 RESID 131 (V): C 176.025 176.025 177.438 -1.413 RESID 131 (V): CA 63.180 63.180 64.871 -1.691 RESID 131 (V): CB 32.898 32.898 31.252 1.646 RESID 131 (V): H 7.636 7.636 7.906 -0.270 RESID 132 (A): N 124.047 124.047 122.470 1.577 RESID 132 (A): C 179.008 179.008 178.633 0.375 RESID 132 (A): CA 53.707 53.707 54.870 -1.163 RESID 132 (A): CB 19.150 19.150 18.795 0.355 RESID 132 (A): H 7.911 7.911 7.624 0.287 RESID 133 (V): N 113.349 113.349 118.058 -4.709 RESID 133 (V): C 175.527 175.527 176.399 -0.872 RESID 133 (V): CA 64.115 64.115 64.105 0.010 RESID 133 (V): CB 31.832 31.832 32.533 -0.701 RESID 133 (V): H 7.094 7.094 7.417 -0.323 RESID 134 (A): N 123.224 123.224 119.570 3.654 RESID 134 (A): CA 55.493 55.493 51.578 3.916 RESID 134 (A): H 7.586 7.586 7.532 0.054 RESID 136 (P): C 177.074 177.074 178.464 -1.390 RESID 137 (T): N 113.281 113.281 112.620 0.661 RESID 137 (T): C 174.485 174.485 176.283 -1.798 RESID 137 (T): CA 64.496 64.496 67.479 -2.983 RESID 137 (T): CB 69.997 69.997 68.189 1.808 RESID 137 (T): H 7.963 7.963 8.276 -0.313 RESID 138 (D): N 122.770 122.770 121.803 0.967 RESID 138 (D): C 178.458 178.458 178.523 -0.065 RESID 138 (D): CA 56.776 56.776 57.389 -0.613 RESID 138 (D): CB 41.023 41.023 40.407 0.616 RESID 138 (D): H 8.094 8.094 7.631 0.463 RESID 139 (V): N 119.931 119.931 120.345 -0.414 RESID 139 (V): C 177.502 177.502 177.907 -0.405 RESID 139 (V): CA 66.455 66.455 65.415 1.040 RESID 139 (V): CB 32.804 32.804 31.838 0.966 RESID 139 (V): H 7.753 7.753 7.765 -0.012 RESID 140 (V): N 120.539 120.539 117.301 3.238 RESID 140 (V): C 176.232 176.232 178.097 -1.865 RESID 140 (V): CA 66.770 66.770 66.810 -0.040 RESID 140 (V): CB 32.086 32.086 30.726 1.360 RESID 140 (V): H 8.295 8.295 7.880 0.415 RESID 141 (K): N 120.122 120.122 120.679 -0.557 RESID 141 (K): C 176.120 176.120 179.236 -3.116 RESID 141 (K): CA 55.991 55.991 59.537 -3.546 RESID 141 (K): CB 31.712 31.712 31.845 -0.133 RESID 141 (K): H 7.698 7.698 7.699 -0.001 RESID 142 (V): N 120.104 120.104 119.463 0.641 RESID 142 (V): CA 63.230 63.230 65.647 -2.417 RESID 142 (V): H 7.772 7.772 7.504 0.268 RESID 143 (R): C 178.401 178.401 178.795 -0.394 RESID 143 (R): H 7.999 7.999 7.567 0.432 RESID 144 (F): N 120.445 120.445 120.426 0.019 RESID 144 (F): C 177.856 177.856 176.247 1.609 RESID 144 (F): CA 61.438 61.438 60.860 0.578 RESID 144 (F): H 8.395 8.395 8.618 -0.223 RESID 145 (Q): N 124.180 124.180 116.731 7.449 RESID 145 (Q): C 174.844 174.844 177.531 -2.687 RESID 145 (Q): CA 56.414 56.414 57.767 -1.353 RESID 145 (Q): CB 30.721 30.721 29.026 1.695 RESID 145 (Q): H 8.094 8.094 7.875 0.219 RESID 146 (A): N 120.452 120.452 120.210 0.242 RESID 146 (A): C 177.929 177.929 177.751 0.178 RESID 146 (A): CA 53.483 53.483 53.300 0.183 RESID 146 (A): CB 18.431 18.431 19.054 -0.623 RESID 146 (A): H 7.939 7.939 7.399 0.540 RESID 147 (Q): N 119.388 119.388 119.251 0.137 RESID 147 (Q): C 176.029 176.029 174.738 1.291 RESID 147 (Q): CA 56.339 56.339 55.982 0.357 RESID 147 (Q): CB 29.444 29.444 27.812 1.632 RESID 147 (Q): H 8.072 8.072 7.562 0.510 RESID 148 (A): N 125.199 125.199 127.679 -2.480 RESID 148 (A): C 177.766 177.766 176.866 0.900 RESID 148 (A): CA 53.108 53.108 51.255 1.853 RESID 148 (A): CB 19.151 19.151 20.146 -0.995 RESID 148 (A): H 8.055 8.055 7.825 0.230 RESID 149 (R): N 120.208 120.208 118.782 1.426 RESID 149 (R): CA 56.414 56.414 56.133 0.281 RESID 149 (R): CB 30.749 30.749 28.658 2.091 RESID 149 (R): H 8.018 8.018 8.580 -0.562 RESID 159 (T): C 175.928 175.928 176.574 -0.646 RESID 160 (V): N 118.321 118.321 120.217 -1.896 RESID 160 (V): C 177.749 177.749 177.287 0.462 RESID 160 (V): CA 64.126 64.126 65.475 -1.349 RESID 160 (V): CB 31.343 31.343 31.783 -0.440 RESID 160 (V): H 8.073 8.073 7.974 0.099 RESID 161 (E): N 122.379 122.379 118.912 3.467 RESID 161 (E): C 178.783 178.783 178.825 -0.042 RESID 161 (E): CA 59.550 59.550 59.109 0.441 RESID 161 (E): CB 29.597 29.597 29.403 0.194 RESID 161 (E): H 8.204 8.204 7.687 0.517 RESID 162 (A): N 122.845 122.845 123.141 -0.296 RESID 162 (A): C 179.948 179.948 179.303 0.645 RESID 162 (A): CA 55.181 55.181 55.028 0.153 RESID 162 (A): CB 18.154 18.154 18.770 -0.616 RESID 162 (A): H 7.786 7.786 8.571 -0.785 RESID 163 (Y): N 118.902 118.902 119.877 -0.975 RESID 163 (Y): C 177.273 177.273 177.536 -0.263 RESID 163 (Y): CA 61.068 61.068 61.475 -0.407 RESID 163 (Y): CB 37.898 37.898 38.709 -0.812 RESID 163 (Y): H 7.922 7.922 7.933 -0.011 RESID 164 (K): N 119.939 119.939 118.528 1.411 RESID 164 (K): C 178.239 178.239 178.897 -0.658 RESID 164 (K): CA 60.309 60.309 59.586 0.723 RESID 164 (K): CB 32.504 32.504 32.717 -0.212 RESID 164 (K): H 8.223 8.223 7.727 0.496 RESID 165 (T): N 115.262 115.262 113.068 2.194 RESID 165 (T): C 175.676 175.676 176.810 -1.134 RESID 165 (T): CA 66.516 66.516 65.683 0.832 RESID 165 (T): CB 69.367 69.367 68.353 1.014 RESID 165 (T): H 7.745 7.745 7.725 0.020 RESID 166 (I): N 121.571 121.571 118.671 2.900 RESID 166 (I): C 177.307 177.307 177.222 0.085 RESID 166 (I): CA 64.634 64.634 62.421 2.213 RESID 166 (I): CB 38.896 38.896 35.586 3.310 RESID 166 (I): H 7.540 7.540 7.443 0.097 RESID 167 (A): N 121.983 121.983 123.337 -1.354 RESID 167 (A): C 178.395 178.395 180.059 -1.664 RESID 167 (A): CA 54.656 54.656 54.778 -0.122 RESID 167 (A): CB 18.486 18.486 18.015 0.471 RESID 167 (A): H 8.059 8.059 7.843 0.216 RESID 168 (R): N 116.369 116.369 118.925 -2.556 RESID 168 (R): C 177.307 177.307 178.324 -1.017 RESID 168 (R): CA 58.486 58.486 58.684 -0.198 RESID 168 (R): CB 30.930 30.930 30.049 0.881 RESID 168 (R): H 7.690 7.690 7.542 0.148 RESID 169 (E): N 118.667 118.667 117.685 0.982 RESID 169 (E): C 177.696 177.696 178.169 -0.473 RESID 169 (E): CA 58.212 58.212 58.393 -0.181 RESID 169 (E): CB 30.357 30.357 30.023 0.334 RESID 169 (E): H 8.045 8.045 7.733 0.312 RESID 170 (E): N 118.202 118.202 118.298 -0.096 RESID 170 (E): C 177.878 177.878 176.959 0.919 RESID 170 (E): CA 57.363 57.363 57.015 0.348 RESID 170 (E): CB 31.277 31.277 31.368 -0.091 RESID 170 (E): H 8.550 8.550 8.365 0.185 RESID 171 (G): N 108.941 108.941 107.006 1.935 RESID 171 (G): C 174.433 174.433 174.903 -0.470 RESID 171 (G): CA 45.193 45.193 44.531 0.663 RESID 171 (G): H 7.881 7.881 7.628 0.253 RESID 172 (I): N 120.842 120.842 116.554 4.288 RESID 172 (I): C 176.997 176.997 177.248 -0.251 RESID 172 (I): CA 63.810 63.810 63.485 0.325 RESID 172 (I): CB 38.516 38.516 37.795 0.721 RESID 172 (I): H 8.550 8.550 8.218 0.332 RESID 173 (R): N 119.480 119.480 121.307 -1.827 RESID 173 (R): C 178.084 178.084 178.572 -0.488 RESID 173 (R): CA 58.711 58.711 58.713 -0.002 RESID 173 (R): CB 29.796 29.796 29.292 0.504 RESID 173 (R): H 8.277 8.277 8.317 -0.040 RESID 174 (G): N 106.379 106.379 107.028 -0.649 RESID 174 (G): C 175.210 175.210 176.482 -1.272 RESID 174 (G): CA 46.767 46.767 46.776 -0.009 RESID 174 (G): H 7.690 7.690 8.199 -0.509 RESID 175 (L): N 120.664 120.664 121.667 -1.003 RESID 175 (L): C 177.971 177.971 178.537 -0.566 RESID 175 (L): CA 57.104 57.104 57.331 -0.227 RESID 175 (L): CB 42.559 42.559 42.286 0.273 RESID 175 (L): H 7.554 7.554 7.326 0.228 RESID 176 (W): N 117.031 117.031 117.843 -0.812 RESID 176 (W): C 176.987 176.987 177.914 -0.927 RESID 176 (W): CA 57.672 57.672 58.022 -0.350 RESID 176 (W): CB 29.796 29.796 28.262 1.534 RESID 176 (W): H 7.499 7.499 7.857 -0.358 RESID 177 (K): N 120.567 120.567 120.276 0.291 RESID 177 (K): C 177.152 177.152 178.147 -0.995 RESID 177 (K): CA 57.712 57.712 59.507 -1.795 RESID 177 (K): CB 32.890 32.890 32.002 0.888 RESID 177 (K): H 7.595 7.595 7.465 0.130 RESID 178 (G): N 108.667 108.667 104.290 4.377 RESID 178 (G): C 174.045 174.045 175.534 -1.489 RESID 178 (G): CA 45.893 45.893 45.662 0.231 RESID 178 (G): H 7.881 7.881 8.164 -0.283 RESID 179 (T): N 115.080 115.080 118.208 -3.128 RESID 179 (T): C 175.192 175.192 176.123 -0.931 RESID 179 (T): CA 66.521 66.521 66.633 -0.112 RESID 179 (T): CB 70.079 70.079 68.454 1.625 RESID 179 (T): H 7.622 7.622 7.843 -0.221 RESID 180 (S): N 117.754 117.754 115.441 2.313 RESID 180 (S): CA 63.123 63.123 62.943 0.180 RESID 180 (S): CB 62.045 62.045 61.374 0.671 RESID 180 (S): H 8.195 8.195 7.841 0.354 RESID 182 (N): C 177.348 177.348 177.924 -0.576 RESID 183 (V): N 118.118 118.118 120.456 -2.338 RESID 183 (V): C 176.944 176.944 177.940 -0.996 RESID 183 (V): CA 65.244 65.244 66.264 -1.020 RESID 183 (V): CB 32.508 32.508 30.999 1.509 RESID 183 (V): H 7.861 7.861 7.540 0.321 RESID 184 (A): N 122.284 122.284 122.036 0.248 RESID 184 (A): C 178.317 178.317 179.492 -1.175 RESID 184 (A): CA 55.339 55.339 55.261 0.078 RESID 184 (A): CB 28.230 28.230 18.159 10.071 RESID 184 (A): H 8.097 8.097 7.531 0.566 RESID 185 (R): N 117.321 117.321 118.799 -1.478 RESID 185 (R): C 177.527 177.527 178.512 -0.985 RESID 185 (R): CA 59.543 59.543 58.630 0.912 RESID 185 (R): CB 29.767 29.767 29.687 0.080 RESID 185 (R): H 7.611 7.611 8.273 -0.662 RESID 186 (N): N 117.294 117.294 117.921 -0.627 RESID 186 (N): C 176.599 176.599 177.551 -0.952 RESID 186 (N): CA 56.659 56.659 56.136 0.523 RESID 186 (N): CB 39.454 39.454 38.244 1.210 RESID 186 (N): H 8.048 8.048 7.817 0.231 RESID 187 (A): N 121.003 121.003 123.053 -2.050 RESID 187 (A): C 178.713 178.713 179.530 -0.817 RESID 187 (A): CA 55.520 55.520 54.887 0.633 RESID 187 (A): CB 18.097 18.097 18.510 -0.413 RESID 187 (A): H 7.322 7.322 7.645 -0.323 RESID 188 (I): N 119.319 119.319 119.456 -0.137 RESID 188 (I): C 176.634 176.634 177.323 -0.689 RESID 188 (I): CA 64.225 64.225 63.506 0.719 RESID 188 (I): CB 37.658 37.658 38.010 -0.352 RESID 188 (I): H 7.779 7.779 7.696 0.083 RESID 189 (V): N 117.265 117.265 118.056 -0.791 RESID 189 (V): C 177.529 177.529 177.795 -0.266 RESID 189 (V): CA 65.562 65.562 67.263 -1.701 RESID 189 (V): CB 31.407 31.407 31.051 0.356 RESID 189 (V): H 7.776 7.776 7.676 0.100 RESID 190 (N): N 118.736 118.736 118.525 0.211 RESID 190 (N): C 176.476 176.476 177.340 -0.864 RESID 190 (N): CA 56.813 56.813 56.631 0.182 RESID 190 (N): CB 38.268 38.268 38.477 -0.209 RESID 190 (N): H 7.800 7.800 7.863 -0.063 RESID 191 (C): N 120.152 120.152 119.352 0.800 RESID 191 (C): C 175.831 175.831 176.542 -0.711 RESID 191 (C): CA 60.293 60.293 63.308 -3.015 RESID 191 (C): CB 41.566 41.566 26.806 14.760 RESID 191 (C): H 7.784 7.784 8.229 -0.445 RESID 192 (A): N 121.963 121.963 122.386 -0.423 RESID 192 (A): C 178.395 178.395 179.114 -0.719 RESID 192 (A): CA 55.280 55.280 55.301 -0.021 RESID 192 (A): CB 18.008 18.008 18.089 -0.081 RESID 192 (A): H 8.141 8.141 8.684 -0.543 RESID 193 (E): N 114.548 114.548 119.703 -5.155 RESID 193 (E): C 176.764 176.764 178.627 -1.863 RESID 193 (E): CA 58.262 58.262 59.004 -0.742 RESID 193 (E): CB 29.342 29.342 29.475 -0.133 RESID 193 (E): H 7.595 7.595 8.397 -0.802 RESID 194 (L): N 117.659 117.659 120.990 -3.331 RESID 194 (L): C 176.904 176.904 178.892 -1.988 RESID 194 (L): CA 55.695 55.695 58.129 -2.434 RESID 194 (L): CB 41.655 41.655 42.062 -0.407 RESID 194 (L): H 7.459 7.459 8.276 -0.817 RESID 195 (V): N 117.842 117.842 118.377 -0.535 RESID 195 (V): C 177.150 177.150 177.600 -0.450 RESID 195 (V): CA 64.054 64.054 66.056 -2.002 RESID 195 (V): CB 31.079 31.079 31.786 -0.707 RESID 195 (V): H 7.363 7.363 7.439 -0.076 RESID 196 (T): N 122.439 122.439 116.556 5.883 RESID 196 (T): C 175.055 175.055 176.710 -1.655 RESID 196 (T): CA 65.500 65.500 67.008 -1.508 RESID 196 (T): CB 69.490 69.490 68.891 0.599 RESID 196 (T): H 7.940 7.940 7.916 0.024 RESID 197 (Y): N 122.430 122.430 122.233 0.197 RESID 197 (Y): C 177.152 177.152 177.075 0.077 RESID 197 (Y): CA 61.892 61.892 61.478 0.414 RESID 197 (Y): CB 38.085 38.085 38.410 -0.325 RESID 197 (Y): H 9.123 9.123 8.912 0.211 RESID 198 (D): N 117.750 117.750 118.715 -0.965 RESID 198 (D): C 177.696 177.696 178.189 -0.493 RESID 198 (D): CA 57.822 57.822 57.300 0.522 RESID 198 (D): CB 40.500 40.500 40.790 -0.290 RESID 198 (D): H 8.263 8.263 7.838 0.425 RESID 199 (L): N 120.698 120.698 117.425 3.273 RESID 199 (L): C 180.104 180.104 178.977 1.127 RESID 199 (L): CA 58.092 58.092 57.428 0.664 RESID 199 (L): CB 42.559 42.559 41.774 0.785 RESID 199 (L): H 7.636 7.636 7.469 0.167 RESID 200 (I): N 121.136 121.136 114.778 6.358 RESID 200 (I): C 176.919 176.919 178.122 -1.203 RESID 200 (I): CA 65.482 65.482 63.681 1.801 RESID 200 (I): CB 37.949 37.949 37.404 0.545 RESID 200 (I): H 7.718 7.718 7.123 0.595 RESID 201 (K): N 120.587 120.587 119.503 1.084 RESID 201 (K): C 177.696 177.696 178.291 -0.595 RESID 201 (K): CA 60.683 60.683 59.577 1.106 RESID 201 (K): CB 31.809 31.809 32.066 -0.257 RESID 201 (K): H 8.291 8.291 7.200 1.091 RESID 202 (D): N 117.936 117.936 115.192 2.744 RESID 202 (D): C 178.395 178.395 176.472 1.923 RESID 202 (D): CA 57.672 57.672 56.005 1.667 RESID 202 (D): CB 41.355 41.355 40.846 0.509 RESID 202 (D): H 8.182 8.182 8.011 0.171 RESID 203 (T): N 115.914 115.914 112.036 3.878 RESID 203 (T): CA 61.190 61.190 61.450 -0.260 RESID 203 (T): CB 68.738 68.738 69.652 -0.914 RESID 203 (T): H 7.690 7.690 7.459 0.231 RESID 204 (L): C 176.047 176.047 174.935 1.112 RESID 204 (L): H 8.051 8.051 8.820 -0.769 RESID 205 (L): N 118.768 118.768 118.216 0.552 RESID 205 (L): C 179.871 179.871 176.361 3.510 RESID 205 (L): CA 55.867 55.867 54.523 1.343 RESID 205 (L): CB 41.887 41.887 41.313 0.574 RESID 205 (L): H 7.977 7.977 7.754 0.223 RESID 206 (K): N 119.775 119.775 118.777 0.998 RESID 206 (K): C 177.318 177.318 176.846 0.472 RESID 206 (K): CA 58.461 58.461 57.337 1.124 RESID 206 (K): CB 32.734 32.734 32.115 0.619 RESID 206 (K): H 7.677 7.677 7.913 -0.236 RESID 207 (A): N 120.757 120.757 121.121 -0.364 RESID 207 (A): C 176.531 176.531 175.928 0.603 RESID 207 (A): CA 53.083 53.083 51.596 1.487 RESID 207 (A): CB 18.960 18.960 18.059 0.901 RESID 207 (A): H 7.565 7.565 7.853 -0.288 RESID 208 (N): N 115.463 115.463 115.161 0.302 RESID 208 (N): C 174.822 174.822 175.224 -0.402 RESID 208 (N): CA 54.351 54.351 53.702 0.649 RESID 208 (N): CB 38.160 38.160 37.184 0.976 RESID 208 (N): H 7.936 7.936 7.860 0.076 RESID 212 (D): C 174.735 174.735 176.180 -1.445 RESID 213 (D): N 116.363 116.363 121.575 -5.212 RESID 213 (D): C 175.553 175.553 176.344 -0.791 RESID 213 (D): CA 54.890 54.890 53.865 1.025 RESID 213 (D): CB 38.846 38.846 39.369 -0.523 RESID 213 (D): H 8.129 8.129 8.261 -0.132 RESID 214 (L): N 119.486 119.486 122.179 -2.693 RESID 214 (L): CA 59.766 59.766 59.356 0.410 RESID 214 (L): CB 39.579 39.579 39.583 -0.004 RESID 214 (L): H 7.821 7.821 7.847 -0.026 RESID 215 (P): C 177.971 177.971 178.541 -0.570 RESID 215 (P): CA 65.938 65.938 65.833 0.105 RESID 215 (P): CB 30.006 30.006 30.846 -0.840 RESID 216 (C): N 114.211 114.211 115.196 -0.985 RESID 216 (C): C 176.142 176.142 176.408 -0.266 RESID 216 (C): CA 58.773 58.773 61.962 -3.189 RESID 216 (C): CB 40.906 40.906 26.816 14.090 RESID 216 (C): H 8.269 8.269 7.880 0.389 RESID 217 (H): N 120.491 120.491 120.335 0.156 RESID 217 (H): C 176.747 176.747 177.165 -0.418 RESID 217 (H): CA 57.198 57.198 58.830 -1.632 RESID 217 (H): CB 29.886 29.886 28.840 1.046 RESID 217 (H): H 7.301 7.301 7.279 0.022 RESID 218 (F): N 120.501 120.501 119.921 0.580 RESID 218 (F): C 176.187 176.187 177.884 -1.697 RESID 218 (F): CA 59.045 59.045 61.877 -2.832 RESID 218 (F): CB 38.901 38.901 38.219 0.682 RESID 218 (F): H 8.127 8.127 6.904 1.223 RESID 219 (T): N 112.682 112.682 115.411 -2.729 RESID 219 (T): C 175.997 175.997 176.751 -0.754 RESID 219 (T): CA 64.319 64.319 66.910 -2.591 RESID 219 (T): CB 63.282 63.282 68.585 -5.303 RESID 219 (T): H 7.977 7.977 7.913 0.064 RESID 220 (S): N 117.589 117.589 117.529 0.060 RESID 220 (S): C 175.055 175.055 176.408 -1.353 RESID 220 (S): CA 61.344 61.344 61.582 -0.238 RESID 220 (S): CB 63.440 63.440 62.867 0.573 RESID 220 (S): H 8.004 8.004 7.730 0.274 RESID 221 (A): N 123.860 123.860 124.241 -0.381 RESID 221 (A): C 177.618 177.618 179.527 -1.909 RESID 221 (A): CA 53.932 53.932 54.799 -0.867 RESID 221 (A): CB 18.891 18.891 18.334 0.557 RESID 221 (A): H 7.704 7.704 7.692 0.012 RESID 222 (F): N 116.073 116.073 119.598 -3.525 RESID 222 (F): C 176.142 176.142 177.491 -1.349 RESID 222 (F): CA 58.271 58.271 61.508 -3.237 RESID 222 (F): CB 39.554 39.554 39.140 0.414 RESID 222 (F): H 7.718 7.718 8.199 -0.481 RESID 223 (G): N 108.578 108.578 106.223 2.355 RESID 223 (G): C 173.889 173.889 175.548 -1.659 RESID 223 (G): CA 45.993 45.993 47.081 -1.088 RESID 223 (G): H 7.909 7.909 8.068 -0.159 RESID 224 (A): N 123.322 123.322 124.480 -1.158 RESID 224 (A): C 178.550 178.550 179.457 -0.907 RESID 224 (A): CA 53.608 53.608 54.558 -0.950 RESID 224 (A): CB 19.069 19.069 18.387 0.682 RESID 224 (A): H 8.018 8.018 7.772 0.246 RESID 225 (G): N 107.935 107.935 107.455 0.480 RESID 225 (G): C 175.389 175.389 175.661 -0.272 RESID 225 (G): CA 46.967 46.967 46.759 0.208 RESID 225 (G): H 8.304 8.304 8.593 -0.289 RESID 226 (F): N 122.440 122.440 122.851 -0.411 RESID 226 (F): C 176.998 176.998 177.261 -0.263 RESID 226 (F): CA 60.673 60.673 60.727 -0.055 RESID 226 (F): CB 38.319 38.319 39.412 -1.093 RESID 226 (F): H 8.045 8.045 7.890 0.155 RESID 227 (C): N 116.562 116.562 117.055 -0.493 RESID 227 (C): CA 61.301 61.301 62.622 -1.321 RESID 227 (C): CB 41.286 41.286 26.868 14.418 RESID 227 (C): H 8.016 8.016 7.855 0.161 RESID 228 (T): C 176.437 176.437 176.127 0.310 RESID 228 (T): H 8.410 8.410 7.927 0.483 RESID 229 (T): N 115.234 115.234 116.140 -0.906 RESID 229 (T): C 176.749 176.749 176.546 0.203 RESID 229 (T): CA 65.980 65.980 66.140 -0.160 RESID 229 (T): CB 67.443 67.443 67.941 -0.498 RESID 229 (T): H 8.188 8.188 7.710 0.478 RESID 230 (V): N 120.723 120.723 120.999 -0.276 RESID 230 (V): C 177.983 177.983 177.685 0.298 RESID 230 (V): CA 66.832 66.832 65.530 1.302 RESID 230 (V): CB 31.168 31.168 30.958 0.210 RESID 230 (V): H 8.027 8.027 7.198 0.829 RESID 231 (I): N 120.541 120.541 119.281 1.260 RESID 231 (I): C 177.368 177.368 177.181 0.187 RESID 231 (I): CA 65.575 65.575 63.294 2.281 RESID 231 (I): CB 37.722 37.722 37.435 0.287 RESID 231 (I): H 8.458 8.458 7.315 1.143 RESID 232 (A): N 122.766 122.766 121.369 1.397 RESID 232 (A): C 178.847 178.847 179.494 -0.647 RESID 232 (A): CA 55.252 55.252 54.671 0.581 RESID 232 (A): CB 17.874 17.874 18.674 -0.800 RESID 232 (A): H 8.589 8.589 7.970 0.619 RESID 233 (S): N 113.387 113.387 114.979 -1.592 RESID 233 (S): CA 62.348 62.348 62.287 0.061 RESID 233 (S): CB 61.630 61.630 61.497 0.133 RESID 233 (S): H 8.218 8.218 8.044 0.174 RESID 234 (P): C 178.221 178.221 178.144 0.077 RESID 235 (V): N 116.087 116.087 114.386 1.701 RESID 235 (V): C 177.089 177.089 177.575 -0.486 RESID 235 (V): CA 65.072 65.072 65.916 -0.844 RESID 235 (V): CB 31.084 31.084 31.054 0.030 RESID 235 (V): H 8.142 8.142 7.337 0.805 RESID 236 (D): N 121.556 121.556 120.202 1.354 RESID 236 (D): C 177.422 177.422 178.389 -0.967 RESID 236 (D): CA 57.135 57.135 56.966 0.169 RESID 236 (D): CB 40.065 40.065 40.029 0.036 RESID 236 (D): H 7.932 7.932 7.393 0.539 RESID 237 (V): N 117.233 117.233 120.666 -3.433 RESID 237 (V): CA 64.977 64.977 65.846 -0.869 RESID 237 (V): CB 31.013 31.013 32.049 -1.036 RESID 237 (V): H 7.710 7.710 7.664 0.046 RESID 238 (V): C 177.584 177.584 177.931 -0.347 RESID 238 (V): H 7.607 7.607 7.441 0.166 RESID 239 (K): N 120.095 120.095 118.070 2.025 RESID 239 (K): C 178.678 178.678 178.957 -0.279 RESID 239 (K): CA 58.483 58.483 59.036 -0.553 RESID 239 (K): CB 31.863 31.863 31.606 0.257 RESID 239 (K): H 7.761 7.761 7.451 0.310 RESID 240 (T): N 115.247 115.247 113.809 1.438 RESID 240 (T): C 175.093 175.093 176.823 -1.730 RESID 240 (T): CA 66.458 66.458 64.999 1.459 RESID 240 (T): CB 68.011 68.011 68.807 -0.796 RESID 240 (T): H 7.761 7.761 7.750 0.011 RESID 241 (R): N 119.633 119.633 120.230 -0.597 RESID 241 (R): CA 57.133 57.133 59.513 -2.380 RESID 241 (R): CB 31.218 31.218 29.294 1.924 RESID 241 (R): H 7.383 7.383 7.651 -0.268 RESID 242 (Y): C 174.956 174.956 177.760 -2.804 RESID 242 (Y): H 8.699 8.699 7.547 1.152 RESID 243 (M): N 118.458 118.458 116.812 1.646 RESID 243 (M): C 175.676 175.676 177.261 -1.585 RESID 243 (M): CA 54.417 54.417 57.992 -3.575 RESID 243 (M): H 7.442 7.442 7.899 -0.457 RESID 244 (N): N 116.369 116.369 115.412 0.957 RESID 244 (N): C 174.919 174.919 175.580 -0.661 RESID 244 (N): CA 59.470 59.470 54.525 4.945 RESID 244 (N): CB 39.079 39.079 38.697 0.382 RESID 244 (N): H 7.772 7.772 7.937 -0.165 RESID 245 (S): N 114.568 114.568 111.221 3.347 RESID 245 (S): C 175.695 175.695 171.820 3.875 RESID 245 (S): CA 53.852 53.852 57.358 -3.506 RESID 245 (S): CB 61.232 61.232 65.034 -3.802 RESID 245 (S): H 8.475 8.475 7.736 0.739 RESID 246 (A): N 127.283 127.283 123.403 3.880 RESID 246 (A): C 177.128 177.128 176.581 0.547 RESID 246 (A): CA 56.803 56.803 51.936 4.867 RESID 246 (A): CB 18.901 18.901 20.465 -1.564 RESID 246 (A): H 7.929 7.929 8.119 -0.190 RESID 247 (L): N 118.112 118.112 121.683 -3.571 RESID 247 (L): C 176.723 176.723 176.640 0.083 RESID 247 (L): CA 54.156 54.156 55.183 -1.027 RESID 247 (L): CB 41.215 41.215 41.539 -0.324 RESID 247 (L): H 7.922 7.922 8.889 -0.967 RESID 248 (G): N 107.203 107.203 109.812 -2.609 RESID 248 (G): CA 44.558 44.558 45.266 -0.708 RESID 248 (G): H 8.318 8.318 8.219 0.099 RESID 250 (Y): C 175.942 175.942 175.580 0.362 RESID 250 (Y): H 8.134 8.134 7.896 0.238 RESID 251 (H): N 123.281 123.281 124.715 -1.434 RESID 251 (H): C 174.531 174.531 174.885 -0.354 RESID 251 (H): CA 58.931 58.931 57.631 1.300 RESID 251 (H): CB 29.525 29.525 30.676 -1.151 RESID 251 (H): H 8.184 8.184 8.723 -0.539 RESID 252 (S): N 110.038 110.038 110.634 -0.596 RESID 252 (S): C 174.429 174.429 174.393 0.036 RESID 252 (S): CA 57.452 57.452 57.072 0.380 RESID 252 (S): CB 65.022 65.022 65.568 -0.546 RESID 252 (S): H 8.010 8.010 7.817 0.193 RESID 253 (A): N 123.034 123.034 123.253 -0.219 RESID 253 (A): C 179.249 179.249 180.073 -0.824 RESID 253 (A): CA 54.981 54.981 54.520 0.461 RESID 253 (A): CB 19.069 19.069 18.286 0.783 RESID 253 (A): H 8.034 8.034 8.674 -0.640 RESID 254 (G): N 106.379 106.379 106.150 0.229 RESID 254 (G): C 174.433 174.433 175.723 -1.290 RESID 254 (G): CA 47.615 47.615 47.004 0.611 RESID 254 (G): H 8.427 8.427 8.759 -0.332 RESID 255 (H): N 121.119 121.119 121.439 -0.320 RESID 255 (H): C 178.084 178.084 176.932 1.152 RESID 255 (H): CA 60.144 60.144 58.955 1.189 RESID 255 (H): CB 33.073 33.073 29.949 3.124 RESID 255 (H): H 8.304 8.304 7.816 0.488 RESID 256 (C): N 117.946 117.946 118.524 -0.578 RESID 256 (C): C 175.453 175.453 176.927 -1.474 RESID 256 (C): CA 58.668 58.668 62.510 -3.842 RESID 256 (C): CB 41.434 41.434 26.427 15.007 RESID 256 (C): H 8.168 8.168 7.938 0.230 RESID 257 (A): N 123.138 123.138 123.409 -0.271 RESID 257 (A): C 179.489 179.489 179.898 -0.409 RESID 257 (A): CA 54.589 54.589 55.187 -0.598 RESID 257 (A): CB 17.675 17.675 18.014 -0.339 RESID 257 (A): H 7.932 7.932 7.577 0.355 RESID 258 (L): N 119.779 119.779 118.748 1.031 RESID 258 (L): C 178.234 178.234 178.832 -0.598 RESID 258 (L): CA 56.967 56.967 57.071 -0.104 RESID 258 (L): CB 41.067 41.067 41.011 0.056 RESID 258 (L): H 7.681 7.681 7.578 0.103 RESID 259 (T): N 114.552 114.552 113.286 1.266 RESID 259 (T): C 176.244 176.244 176.872 -0.628 RESID 259 (T): CA 66.511 66.511 66.081 0.430 RESID 259 (T): CB 67.274 67.274 68.548 -1.274 RESID 259 (T): H 7.855 7.855 7.931 -0.076 RESID 260 (M): N 118.862 118.862 122.626 -3.764 RESID 260 (M): C 177.094 177.094 177.400 -0.306 RESID 260 (M): CA 58.532 58.532 58.214 0.319 RESID 260 (M): CB 32.288 32.288 31.832 0.456 RESID 260 (M): H 8.296 8.296 8.450 -0.154 RESID 261 (L): N 116.839 116.839 117.877 -1.038 RESID 261 (L): C 178.162 178.162 178.964 -0.802 RESID 261 (L): CA 58.167 58.167 57.436 0.731 RESID 261 (L): CB 42.202 42.202 41.751 0.451 RESID 261 (L): H 8.053 8.053 7.574 0.479 RESID 262 (R): N 116.821 116.821 118.353 -1.532 RESID 262 (R): CA 58.761 58.761 57.848 0.913 RESID 262 (R): CB 30.825 30.825 30.933 -0.108 RESID 262 (R): H 7.827 7.827 7.712 0.115 RESID 266 (P): C 177.152 177.152 178.013 -0.861 RESID 266 (P): CA 65.152 65.152 64.333 0.819 RESID 267 (R): N 117.739 117.739 117.419 0.320 RESID 267 (R): C 177.463 177.463 177.706 -0.243 RESID 267 (R): CA 59.335 59.335 58.620 0.715 RESID 267 (R): CB 30.185 30.185 29.075 1.110 RESID 267 (R): H 8.072 8.072 8.468 -0.396 RESID 268 (A): N 121.709 121.709 121.849 -0.140 RESID 268 (A): C 179.251 179.251 179.564 -0.313 RESID 268 (A): CA 54.631 54.631 54.553 0.078 RESID 268 (A): CB 18.683 18.683 18.157 0.526 RESID 268 (A): H 7.963 7.963 7.840 0.123 RESID 269 (F): N 117.096 117.096 117.208 -0.112 RESID 269 (F): C 175.987 175.987 177.550 -1.563 RESID 269 (F): CA 61.037 61.037 61.315 -0.278 RESID 269 (F): CB 38.637 38.637 38.625 0.012 RESID 269 (F): H 7.832 7.832 7.964 -0.132 RESID 270 (Y): N 118.496 118.496 117.447 1.049 RESID 270 (Y): C 176.250 176.250 176.572 -0.322 RESID 270 (Y): CA 60.116 60.116 60.050 0.066 RESID 270 (Y): CB 38.882 38.882 38.540 0.342 RESID 270 (Y): H 7.813 7.813 7.679 0.134 RESID 271 (K): N 119.458 119.458 119.397 0.061 RESID 271 (K): C 177.696 177.696 176.281 1.415 RESID 271 (K): CA 57.192 57.192 56.212 0.980 RESID 271 (K): CB 32.734 32.734 33.744 -1.010 RESID 271 (K): H 7.864 7.864 8.003 -0.139 RESID 272 (G): N 106.217 106.217 107.784 -1.567 RESID 272 (G): C 173.967 173.967 173.094 0.873 RESID 272 (G): CA 46.117 46.117 45.824 0.293 RESID 272 (G): H 7.622 7.622 8.325 -0.703 RESID 273 (F): N 118.847 118.847 115.354 3.493 RESID 273 (F): C 175.055 175.055 175.375 -0.320 RESID 273 (F): CA 57.721 57.721 57.696 0.025 RESID 273 (F): CB 40.183 40.183 39.054 1.129 RESID 273 (F): H 7.677 7.677 7.513 0.164 RESID 277 (F): C 176.602 176.602 176.903 -0.301 RESID 277 (F): CA 61.838 61.838 61.644 0.194 RESID 277 (F): CB 39.537 39.537 39.256 0.281 RESID 277 (F): H 7.695 7.695 7.837 -0.142 RESID 278 (L): N 118.465 118.465 118.987 -0.522 RESID 278 (L): C 177.152 177.152 179.077 -1.925 RESID 278 (L): CA 56.115 56.115 58.079 -1.964 RESID 278 (L): CB 42.398 42.398 41.489 0.909 RESID 278 (L): H 8.104 8.104 8.047 0.057 RESID 279 (R): N 118.749 118.749 118.845 -0.096 RESID 279 (R): C 176.608 176.608 178.848 -2.240 RESID 279 (R): CA 56.938 56.938 59.367 -2.429 RESID 279 (R): CB 30.659 30.659 29.927 0.732 RESID 279 (R): H 7.472 7.472 8.098 -0.626 RESID 280 (L): N 120.305 120.305 120.229 0.076 RESID 280 (L): C 177.540 177.540 178.654 -1.114 RESID 280 (L): CA 57.094 57.094 57.573 -0.479 RESID 280 (L): CB 42.027 42.027 41.465 0.562 RESID 280 (L): H 7.690 7.690 8.353 -0.663 RESID 281 (G): N 106.837 106.837 106.249 0.588 RESID 281 (G): C 174.045 174.045 175.975 -1.930 RESID 281 (G): CA 46.967 46.967 46.952 0.015 RESID 281 (G): H 7.881 7.881 7.684 0.197 RESID 282 (S): N 115.531 115.531 118.181 -2.650 RESID 282 (S): C 174.123 174.123 176.413 -2.290 RESID 282 (S): CA 58.796 58.796 61.407 -2.611 RESID 282 (S): CB 58.975 58.975 63.210 -4.235 RESID 282 (S): H 7.813 7.813 7.492 0.321 RESID 283 (W): N 122.851 122.851 123.438 -0.587 RESID 283 (W): C 176.142 176.142 177.677 -1.535 RESID 283 (W): CA 59.221 59.221 61.339 -2.118 RESID 283 (W): CB 30.446 30.446 29.508 0.938 RESID 283 (W): H 8.186 8.186 8.805 -0.619 RESID 284 (N): N 118.459 118.459 117.297 1.162 RESID 284 (N): CA 55.325 55.325 56.465 -1.140 RESID 284 (N): CB 39.504 39.504 38.361 1.143 RESID 284 (N): H 8.127 8.127 7.969 0.158 RESID 285 (V): C 177.263 177.263 177.230 0.033 RESID 285 (V): H 7.854 7.854 7.316 0.538 RESID 286 (V): N 119.883 119.883 116.758 3.125 RESID 286 (V): C 177.072 177.072 177.024 0.048 RESID 286 (V): CA 64.717 64.717 65.970 -1.253 RESID 286 (V): CB 29.553 29.553 31.533 -1.980 RESID 286 (V): H 7.483 7.483 7.124 0.359 RESID 287 (M): N 120.401 120.401 116.830 3.571 RESID 287 (M): C 177.594 177.594 178.210 -0.616 RESID 287 (M): CA 57.654 57.654 58.374 -0.720 RESID 287 (M): CB 31.592 31.592 31.941 -0.349 RESID 287 (M): H 8.118 8.118 7.021 1.097 RESID 288 (F): N 122.234 122.234 121.178 1.056 RESID 288 (F): C 176.498 176.498 177.373 -0.875 RESID 288 (F): CA 61.766 61.766 62.038 -0.272 RESID 288 (F): CB 39.031 39.031 39.414 -0.384 RESID 288 (F): H 7.878 7.878 7.665 0.213 RESID 289 (V): N 118.907 118.907 115.509 3.398 RESID 289 (V): CA 64.566 64.566 66.779 -2.213 RESID 289 (V): CB 30.544 30.544 30.468 0.076 RESID 289 (V): H 7.913 7.913 7.810 0.103 RESID 290 (T): C 175.376 175.376 176.626 -1.250 RESID 290 (T): H 8.095 8.095 7.335 0.760 RESID 291 (Y): N 118.029 118.029 120.744 -2.715 RESID 291 (Y): C 176.919 176.919 177.503 -0.584 RESID 291 (Y): CA 61.717 61.717 61.602 0.115 RESID 291 (Y): CB 38.020 38.020 37.866 0.154 RESID 291 (Y): H 7.986 7.986 7.499 0.487 RESID 292 (E): N 118.005 118.005 119.446 -1.441 RESID 292 (E): C 176.686 176.686 178.547 -1.861 RESID 292 (E): CA 60.084 60.084 59.430 0.654 RESID 292 (E): CB 29.443 29.443 28.451 0.992 RESID 292 (E): H 8.359 8.359 8.178 0.181 RESID 293 (Q): N 118.746 118.746 119.676 -0.930 RESID 293 (Q): C 176.210 176.210 177.800 -1.590 RESID 293 (Q): CA 58.986 58.986 58.489 0.497 RESID 293 (Q): CB 28.784 28.784 28.554 0.230 RESID 293 (Q): H 7.704 7.704 7.379 0.325 RESID 294 (L): N 120.970 120.970 118.075 2.895 RESID 294 (L): C 178.084 178.084 178.454 -0.370 RESID 294 (L): CA 58.741 58.741 57.407 1.334 RESID 294 (L): CB 41.451 41.451 41.871 -0.420 RESID 294 (L): H 7.995 7.995 7.465 0.530 RESID 295 (K): N 117.756 117.756 117.365 0.391 RESID 295 (K): CA 59.048 59.048 58.223 0.825 RESID 295 (K): CB 31.871 31.871 33.005 -1.135 RESID 295 (K): H 7.731 7.731 7.883 -0.152 RESID 296 (R): H 7.895 7.895 8.061 -0.166 RESID 297 (A): C 176.488 176.488 176.747 -0.259 RESID 297 (A): H 8.223 8.223 8.248 -0.025 RESID 298 (L): N 117.376 117.376 119.596 -2.220 RESID 298 (L): C 178.628 178.628 177.014 1.614 RESID 298 (L): CA 58.217 58.217 55.334 2.883 RESID 298 (L): CB 41.905 41.905 42.771 -0.866 RESID 298 (L): H 7.947 7.947 8.284 -0.337 RESID 299 (M): N 127.376 127.376 119.336 8.040 RESID 299 (M): C 178.472 178.472 174.649 3.823 RESID 299 (M): CA 58.461 58.461 55.548 2.913 RESID 299 (M): CB 32.110 32.110 33.521 -1.411 RESID 299 (M): H 8.182 8.182 7.972 0.210 RESID 300 (A): N 121.854 121.854 124.248 -2.394 RESID 300 (A): C 180.197 180.197 176.086 4.111 RESID 300 (A): CA 55.617 55.617 51.930 3.687 RESID 300 (A): CB 18.215 18.215 20.174 -1.959 RESID 300 (A): H 7.841 7.841 8.380 -0.539 RESID 301 (A): N 121.224 121.224 127.135 -5.911 RESID 301 (A): C 178.939 178.939 178.099 0.840 RESID 301 (A): CA 55.186 55.186 54.469 0.717 RESID 301 (A): CB 18.735 18.735 18.966 -0.231 RESID 301 (A): H 7.872 7.872 8.743 -0.871 RESID 302 (Y): N 118.183 118.183 119.926 -1.743 RESID 302 (Y): C 176.841 176.841 177.649 -0.808 RESID 302 (Y): CA 60.868 60.868 61.343 -0.475 RESID 302 (Y): CB 39.344 39.344 38.108 1.236 RESID 302 (Y): H 8.100 8.100 8.499 -0.399 RESID 303 (Q): N 117.243 117.243 119.628 -2.385 RESID 303 (Q): C 176.997 176.997 178.620 -1.623 RESID 303 (Q): CA 58.787 58.787 58.713 0.074 RESID 303 (Q): CB 29.216 29.216 28.056 1.160 RESID 303 (Q): H 8.059 8.059 8.563 -0.504 RESID 304 (S): N 114.721 114.721 115.012 -0.291 RESID 304 (S): C 174.511 174.511 176.088 -1.577 RESID 304 (S): CA 59.720 59.720 60.570 -0.850 RESID 304 (S): CB 63.896 63.896 62.941 0.955 RESID 304 (S): H 7.718 7.718 7.930 -0.212 RESID 305 (R): N 121.401 121.401 119.941 1.460 RESID 305 (R): C 175.521 175.521 178.004 -2.483 RESID 305 (R): CA 59.639 59.639 58.317 1.322 RESID 305 (R): CB 30.568 30.568 30.325 0.243 RESID 305 (R): H 7.609 7.609 8.247 -0.638 RESID 306 (E): N 120.090 120.090 117.724 2.366 RESID 306 (E): C 177.648 177.648 179.056 -1.408 RESID 306 (E): CA 59.624 59.624 58.681 0.943 RESID 306 (E): CB 30.362 30.362 29.514 0.848 RESID 306 (E): H 7.909 7.909 7.637 0.272 RESID 307 (A): N 121.234 121.234 123.823 -2.589 RESID 307 (A): C 176.014 176.014 177.078 -1.064 RESID 307 (A): CA 56.844 56.844 55.576 1.268 RESID 307 (A): CB 17.735 17.735 16.892 0.843 RESID 307 (A): H 7.760 7.760 7.647 0.113 N HA C CA CB H RESID 16 (K): 1.288 ----- -1.936 -0.116 0.298 -0.473 RESID 17 (F): -1.626 ----- -2.027 -0.658 0.855 -0.160 RESID 18 (L): -0.987 ----- -0.445 -1.467 1.003 -0.360 RESID 19 (G): 0.578 ----- -0.297 -1.649 ----- -0.445 RESID 20 (A): 0.739 ----- -0.028 0.048 0.824 0.308 RESID 21 (G): 1.146 ----- -0.522 -0.627 ----- 0.472 RESID 22 (T): 4.398 ----- -0.411 0.745 0.430 -0.417 RESID 23 (A): -0.631 ----- -0.445 0.624 0.191 0.785 RESID 24 (A): -0.341 ----- -0.173 0.121 0.238 -0.223 RESID 25 (C): 0.050 ----- -0.510 -5.408 13.872 0.207 RESID 26 (I): -0.129 ----- -0.304 0.876 1.567 0.543 RESID 27 (A): -1.703 ----- 0.023 0.346 -0.436 0.318 RESID 28 (D): -0.132 ----- -0.481 0.608 0.868 -0.086 RESID 29 (L): -1.687 ----- -0.309 -1.090 0.822 0.370 RESID 30 (I): 0.499 ----- -0.379 -3.150 1.120 0.349 RESID 31 (T): -2.283 ----- -1.171 -1.426 -0.219 0.637 RESID 32 (F): -0.061 ----- ----- -6.611 1.780 -1.013 RESID 33 (P): ----- ----- 0.325 -2.653 3.493 ----- RESID 34 (L): 7.372 ----- -2.047 -1.759 1.788 1.417 RESID 35 (D): 3.500 ----- -0.991 -2.580 1.575 0.483 RESID 36 (T): 3.345 ----- 0.877 -0.956 1.013 0.184 RESID 37 (A): 0.875 ----- -0.369 0.131 0.398 -0.600 RESID 38 (K): -0.418 ----- -0.180 -0.243 0.422 0.136 RESID 39 (V): 3.575 ----- 0.095 0.438 3.325 -0.020 RESID 40 (R): -0.389 ----- -0.608 1.955 0.116 0.299 RESID 41 (L): -1.257 ----- ----- -0.479 -0.382 -0.084 RESID 49 (G): ----- ----- -0.589 ----- ----- ----- RESID 50 (L): 1.177 ----- -0.581 -0.134 0.255 0.152 RESID 51 (V): -0.692 ----- -0.316 0.245 -0.744 -0.141 RESID 52 (R): 4.074 ----- ----- 0.611 -0.129 -0.070 RESID 53 (T): ----- ----- 0.342 ----- ----- 0.444 RESID 54 (A): -1.943 ----- -0.770 -1.431 -0.878 0.228 RESID 55 (A): -11.903 ----- 0.849 0.358 0.162 -1.287 RESID 56 (S): 10.600 ----- 1.109 1.952 -0.783 0.255 RESID 57 (A): -3.229 ----- ----- 1.220 -0.421 0.050 RESID 59 (Y): ----- ----- 1.430 ----- ----- ----- RESID 60 (R): 2.324 ----- 1.275 1.357 0.448 -0.357 RESID 61 (G): 1.779 ----- 0.458 1.134 ----- 0.055 RESID 62 (V): -0.217 ----- 0.179 1.963 0.574 -0.245 RESID 63 (L): -0.413 ----- -0.818 0.688 1.869 -0.208 RESID 64 (G): -0.046 ----- 0.355 0.529 ----- -0.285 RESID 65 (T): 4.894 ----- -0.017 1.784 0.268 0.390 RESID 66 (I): -0.232 ----- 0.298 1.655 0.035 0.565 RESID 67 (L): 0.522 ----- -0.001 0.513 0.622 0.713 RESID 68 (T): 0.362 ----- 0.305 0.317 0.518 0.729 RESID 69 (M): 3.138 ----- -0.682 0.529 0.838 0.341 RESID 70 (V): -0.322 ----- -0.540 0.861 -0.544 0.141 RESID 71 (R): -0.411 ----- -0.725 0.552 0.553 0.151 RESID 72 (T): -2.980 ----- -0.391 -1.161 1.205 0.012 RESID 73 (E): 1.181 ----- 1.403 1.312 -0.642 0.208 RESID 74 (G): 2.966 ----- ----- 0.884 ----- 0.469 RESID 75 (P): ----- ----- -1.324 1.066 0.099 ----- RESID 76 (R): 1.359 ----- -0.138 1.741 0.470 -0.218 RESID 77 (S): 1.542 ----- 1.590 0.528 -0.276 -0.101 RESID 78 (L): 3.182 ----- 0.133 0.971 -0.097 0.070 RESID 79 (Y): 6.293 ----- 0.953 2.203 -0.165 0.391 RESID 80 (N): -0.971 ----- 2.900 -0.111 -0.905 1.036 RESID 81 (G): -5.643 ----- 0.128 0.630 ----- -0.488 RESID 82 (L): 2.879 ----- 0.361 0.553 0.975 0.724 RESID 83 (V): 3.517 ----- 0.450 -0.720 0.906 0.024 RESID 84 (A): -1.165 ----- 1.059 0.386 0.079 0.141 RESID 85 (G): -1.120 ----- -0.506 0.510 ----- 0.288 RESID 86 (L): 0.223 ----- -0.488 -0.353 0.507 0.595 RESID 87 (Q): -0.151 ----- -0.691 -1.278 0.428 0.213 RESID 88 (R): -1.295 ----- -0.539 -1.353 0.964 0.190 RESID 89 (Q): -0.634 ----- -1.036 -1.668 0.360 0.343 RESID 90 (M): -0.732 ----- -1.331 -2.576 0.756 -0.416 RESID 91 (S): 1.341 ----- -0.682 -2.360 1.074 0.163 RESID 92 (F): 0.188 ----- 0.855 -1.871 -0.120 0.711 RESID 93 (A): 3.328 ----- -0.477 0.620 -0.192 0.454 RESID 94 (S): -2.259 ----- -0.303 -0.951 0.008 0.346 RESID 95 (V): -0.321 ----- 0.506 0.429 -0.512 -0.499 RESID 96 (R): 4.010 ----- -0.375 0.853 1.266 0.741 RESID 97 (I): 1.315 ----- 0.947 1.958 0.530 0.424 RESID 98 (G): 2.994 ----- 1.270 1.201 ----- 0.534 RESID 99 (L): 0.059 ----- 0.342 1.901 0.347 -0.417 RESID 100 (Y): -0.232 ----- 0.290 -0.424 0.318 0.249 RESID 101 (D): 1.396 ----- 0.400 0.918 0.691 -0.254 RESID 102 (S): -0.867 ----- -0.554 1.118 1.239 -0.035 RESID 103 (V): -0.115 ----- -0.092 0.787 0.375 0.463 RESID 104 (K): 0.371 ----- 0.258 0.683 -0.116 0.569 RESID 105 (Q): 1.256 ----- -0.534 0.823 -0.363 0.003 RESID 106 (F): 1.295 ----- 0.608 0.844 -0.290 0.144 RESID 107 (Y): 0.391 ----- 0.363 0.723 -2.145 0.578 RESID 108 (T): -1.362 ----- 1.550 1.417 0.949 0.243 RESID 113 (H): ----- ----- -0.517 ----- ----- -0.492 RESID 114 (A): -4.537 ----- 1.645 0.649 0.412 0.266 RESID 115 (G): 2.466 ----- -0.235 0.908 ----- 0.173 RESID 116 (I): -0.064 ----- 0.126 -0.849 0.826 -0.007 RESID 117 (G): 3.417 ----- -1.134 -0.193 ----- 0.020 RESID 118 (S): -1.580 ----- -1.092 -0.887 1.069 -0.065 RESID 119 (R): -0.262 ----- -0.615 -1.450 0.885 -0.310 RESID 120 (L): -0.530 ----- -1.883 -0.201 0.426 0.251 RESID 121 (L): -0.549 ----- -1.964 -2.584 0.920 -0.546 RESID 122 (A): 1.653 ----- -1.259 -1.946 1.306 -1.066 RESID 123 (G): 1.240 ----- 0.452 -1.000 ----- -0.663 RESID 124 (S): -2.038 ----- -1.387 -3.022 1.075 -0.393 RESID 125 (T): -2.057 ----- -0.594 0.532 1.080 -0.129 RESID 126 (T): -1.924 ----- 0.835 -0.697 0.005 -0.225 RESID 127 (G): 7.091 ----- -0.826 -0.773 ----- 0.185 RESID 128 (A): -0.342 ----- -1.014 -1.416 0.606 0.515 RESID 129 (L): 0.805 ----- -0.909 -1.014 1.464 0.357 RESID 130 (A): 1.798 ----- -1.635 -1.731 0.409 -0.195 RESID 131 (V): 3.507 ----- -1.413 -1.691 1.646 -0.270 RESID 132 (A): 1.577 ----- 0.375 -1.163 0.355 0.287 RESID 133 (V): -4.709 ----- -0.872 0.010 -0.701 -0.323 RESID 134 (A): 3.654 ----- ----- 3.916 ----- 0.054 RESID 136 (P): ----- ----- -1.390 ----- ----- ----- RESID 137 (T): 0.661 ----- -1.798 -2.983 1.808 -0.313 RESID 138 (D): 0.967 ----- -0.065 -0.613 0.616 0.463 RESID 139 (V): -0.414 ----- -0.405 1.040 0.966 -0.012 RESID 140 (V): 3.238 ----- -1.865 -0.040 1.360 0.415 RESID 141 (K): -0.557 ----- -3.116 -3.546 -0.133 -0.001 RESID 142 (V): 0.641 ----- ----- -2.417 ----- 0.268 RESID 143 (R): ----- ----- -0.394 ----- ----- 0.432 RESID 144 (F): 0.019 ----- 1.609 0.578 ----- -0.223 RESID 145 (Q): 7.449 ----- -2.687 -1.353 1.695 0.219 RESID 146 (A): 0.242 ----- 0.178 0.183 -0.623 0.540 RESID 147 (Q): 0.137 ----- 1.291 0.357 1.632 0.510 RESID 148 (A): -2.480 ----- 0.900 1.853 -0.995 0.230 RESID 149 (R): 1.426 ----- ----- 0.281 2.091 -0.562 RESID 159 (T): ----- ----- -0.646 ----- ----- ----- RESID 160 (V): -1.896 ----- 0.462 -1.349 -0.440 0.099 RESID 161 (E): 3.467 ----- -0.042 0.441 0.194 0.517 RESID 162 (A): -0.296 ----- 0.645 0.153 -0.616 -0.785 RESID 163 (Y): -0.975 ----- -0.263 -0.407 -0.812 -0.011 RESID 164 (K): 1.411 ----- -0.658 0.723 -0.212 0.496 RESID 165 (T): 2.194 ----- -1.134 0.832 1.014 0.020 RESID 166 (I): 2.900 ----- 0.085 2.213 3.310 0.097 RESID 167 (A): -1.354 ----- -1.664 -0.122 0.471 0.216 RESID 168 (R): -2.556 ----- -1.017 -0.198 0.881 0.148 RESID 169 (E): 0.982 ----- -0.473 -0.181 0.334 0.312 RESID 170 (E): -0.096 ----- 0.919 0.348 -0.091 0.185 RESID 171 (G): 1.935 ----- -0.470 0.663 ----- 0.253 RESID 172 (I): 4.288 ----- -0.251 0.325 0.721 0.332 RESID 173 (R): -1.827 ----- -0.488 -0.002 0.504 -0.040 RESID 174 (G): -0.649 ----- -1.272 -0.009 ----- -0.509 RESID 175 (L): -1.003 ----- -0.566 -0.227 0.273 0.228 RESID 176 (W): -0.812 ----- -0.927 -0.350 1.534 -0.358 RESID 177 (K): 0.291 ----- -0.995 -1.795 0.888 0.130 RESID 178 (G): 4.377 ----- -1.489 0.231 ----- -0.283 RESID 179 (T): -3.128 ----- -0.931 -0.112 1.625 -0.221 RESID 180 (S): 2.313 ----- ----- 0.180 0.671 0.354 RESID 182 (N): ----- ----- -0.576 ----- ----- ----- RESID 183 (V): -2.338 ----- -0.996 -1.020 1.509 0.321 RESID 184 (A): 0.248 ----- -1.175 0.078 10.071 0.566 RESID 185 (R): -1.478 ----- -0.985 0.912 0.080 -0.662 RESID 186 (N): -0.627 ----- -0.952 0.523 1.210 0.231 RESID 187 (A): -2.050 ----- -0.817 0.633 -0.413 -0.323 RESID 188 (I): -0.137 ----- -0.689 0.719 -0.352 0.083 RESID 189 (V): -0.791 ----- -0.266 -1.701 0.356 0.100 RESID 190 (N): 0.211 ----- -0.864 0.182 -0.209 -0.063 RESID 191 (C): 0.800 ----- -0.711 -3.015 14.760 -0.445 RESID 192 (A): -0.423 ----- -0.719 -0.021 -0.081 -0.543 RESID 193 (E): -5.155 ----- -1.863 -0.742 -0.133 -0.802 RESID 194 (L): -3.331 ----- -1.988 -2.434 -0.407 -0.817 RESID 195 (V): -0.535 ----- -0.450 -2.002 -0.707 -0.076 RESID 196 (T): 5.883 ----- -1.655 -1.508 0.599 0.024 RESID 197 (Y): 0.197 ----- 0.077 0.414 -0.325 0.211 RESID 198 (D): -0.965 ----- -0.493 0.522 -0.290 0.425 RESID 199 (L): 3.273 ----- 1.127 0.664 0.785 0.167 RESID 200 (I): 6.358 ----- -1.203 1.801 0.545 0.595 RESID 201 (K): 1.084 ----- -0.595 1.106 -0.257 1.091 RESID 202 (D): 2.744 ----- 1.923 1.667 0.509 0.171 RESID 203 (T): 3.878 ----- ----- -0.260 -0.914 0.231 RESID 204 (L): ----- ----- 1.112 ----- ----- -0.769 RESID 205 (L): 0.552 ----- 3.510 1.343 0.574 0.223 RESID 206 (K): 0.998 ----- 0.472 1.124 0.619 -0.236 RESID 207 (A): -0.364 ----- 0.603 1.487 0.901 -0.288 RESID 208 (N): 0.302 ----- -0.402 0.649 0.976 0.076 RESID 212 (D): ----- ----- -1.445 ----- ----- ----- RESID 213 (D): -5.212 ----- -0.791 1.025 -0.523 -0.132 RESID 214 (L): -2.693 ----- ----- 0.410 -0.004 -0.026 RESID 215 (P): ----- ----- -0.570 0.105 -0.840 ----- RESID 216 (C): -0.985 ----- -0.266 -3.189 14.090 0.389 RESID 217 (H): 0.156 ----- -0.418 -1.632 1.046 0.022 RESID 218 (F): 0.580 ----- -1.697 -2.832 0.682 1.223 RESID 219 (T): -2.729 ----- -0.754 -2.591 -5.303 0.064 RESID 220 (S): 0.060 ----- -1.353 -0.238 0.573 0.274 RESID 221 (A): -0.381 ----- -1.909 -0.867 0.557 0.012 RESID 222 (F): -3.525 ----- -1.349 -3.237 0.414 -0.481 RESID 223 (G): 2.355 ----- -1.659 -1.088 ----- -0.159 RESID 224 (A): -1.158 ----- -0.907 -0.950 0.682 0.246 RESID 225 (G): 0.480 ----- -0.272 0.208 ----- -0.289 RESID 226 (F): -0.411 ----- -0.263 -0.055 -1.093 0.155 RESID 227 (C): -0.493 ----- ----- -1.321 14.418 0.161 RESID 228 (T): ----- ----- 0.310 ----- ----- 0.483 RESID 229 (T): -0.906 ----- 0.203 -0.160 -0.498 0.478 RESID 230 (V): -0.276 ----- 0.298 1.302 0.210 0.829 RESID 231 (I): 1.260 ----- 0.187 2.281 0.287 1.143 RESID 232 (A): 1.397 ----- -0.647 0.581 -0.800 0.619 RESID 233 (S): -1.592 ----- ----- 0.061 0.133 0.174 RESID 234 (P): ----- ----- 0.077 ----- ----- ----- RESID 235 (V): 1.701 ----- -0.486 -0.844 0.030 0.805 RESID 236 (D): 1.354 ----- -0.967 0.169 0.036 0.539 RESID 237 (V): -3.433 ----- ----- -0.869 -1.036 0.046 RESID 238 (V): ----- ----- -0.347 ----- ----- 0.166 RESID 239 (K): 2.025 ----- -0.279 -0.553 0.257 0.310 RESID 240 (T): 1.438 ----- -1.730 1.459 -0.796 0.011 RESID 241 (R): -0.597 ----- ----- -2.380 1.924 -0.268 RESID 242 (Y): ----- ----- -2.804 ----- ----- 1.152 RESID 243 (M): 1.646 ----- -1.585 -3.575 ----- -0.457 RESID 244 (N): 0.957 ----- -0.661 4.945 0.382 -0.165 RESID 245 (S): 3.347 ----- 3.875 -3.506 -3.802 0.739 RESID 246 (A): 3.880 ----- 0.547 4.867 -1.564 -0.190 RESID 247 (L): -3.571 ----- 0.083 -1.027 -0.324 -0.967 RESID 248 (G): -2.609 ----- ----- -0.708 ----- 0.099 RESID 250 (Y): ----- ----- 0.362 ----- ----- 0.238 RESID 251 (H): -1.434 ----- -0.354 1.300 -1.151 -0.539 RESID 252 (S): -0.596 ----- 0.036 0.380 -0.546 0.193 RESID 253 (A): -0.219 ----- -0.824 0.461 0.783 -0.640 RESID 254 (G): 0.229 ----- -1.290 0.611 ----- -0.332 RESID 255 (H): -0.320 ----- 1.152 1.189 3.124 0.488 RESID 256 (C): -0.578 ----- -1.474 -3.842 15.007 0.230 RESID 257 (A): -0.271 ----- -0.409 -0.598 -0.339 0.355 RESID 258 (L): 1.031 ----- -0.598 -0.104 0.056 0.103 RESID 259 (T): 1.266 ----- -0.628 0.430 -1.274 -0.076 RESID 260 (M): -3.764 ----- -0.306 0.319 0.456 -0.154 RESID 261 (L): -1.038 ----- -0.802 0.731 0.451 0.479 RESID 262 (R): -1.532 ----- ----- 0.913 -0.108 0.115 RESID 266 (P): ----- ----- -0.861 0.819 ----- ----- RESID 267 (R): 0.320 ----- -0.243 0.715 1.110 -0.396 RESID 268 (A): -0.140 ----- -0.313 0.078 0.526 0.123 RESID 269 (F): -0.112 ----- -1.563 -0.278 0.012 -0.132 RESID 270 (Y): 1.049 ----- -0.322 0.066 0.342 0.134 RESID 271 (K): 0.061 ----- 1.415 0.980 -1.010 -0.139 RESID 272 (G): -1.567 ----- 0.873 0.293 ----- -0.703 RESID 273 (F): 3.493 ----- -0.320 0.025 1.129 0.164 RESID 277 (F): ----- ----- -0.301 0.194 0.281 -0.142 RESID 278 (L): -0.522 ----- -1.925 -1.964 0.909 0.057 RESID 279 (R): -0.096 ----- -2.240 -2.429 0.732 -0.626 RESID 280 (L): 0.076 ----- -1.114 -0.479 0.562 -0.663 RESID 281 (G): 0.588 ----- -1.930 0.015 ----- 0.197 RESID 282 (S): -2.650 ----- -2.290 -2.611 -4.235 0.321 RESID 283 (W): -0.587 ----- -1.535 -2.118 0.938 -0.619 RESID 284 (N): 1.162 ----- ----- -1.140 1.143 0.158 RESID 285 (V): ----- ----- 0.033 ----- ----- 0.538 RESID 286 (V): 3.125 ----- 0.048 -1.253 -1.980 0.359 RESID 287 (M): 3.571 ----- -0.616 -0.720 -0.349 1.097 RESID 288 (F): 1.056 ----- -0.875 -0.272 -0.384 0.213 RESID 289 (V): 3.398 ----- ----- -2.213 0.076 0.103 RESID 290 (T): ----- ----- -1.250 ----- ----- 0.760 RESID 291 (Y): -2.715 ----- -0.584 0.115 0.154 0.487 RESID 292 (E): -1.441 ----- -1.861 0.654 0.992 0.181 RESID 293 (Q): -0.930 ----- -1.590 0.497 0.230 0.325 RESID 294 (L): 2.895 ----- -0.370 1.334 -0.420 0.530 RESID 295 (K): 0.391 ----- ----- 0.825 -1.135 -0.152 RESID 296 (R): ----- ----- ----- ----- ----- -0.166 RESID 297 (A): ----- ----- -0.259 ----- ----- -0.025 RESID 298 (L): -2.220 ----- 1.614 2.883 -0.866 -0.337 RESID 299 (M): 8.040 ----- 3.823 2.913 -1.411 0.210 RESID 300 (A): -2.394 ----- 4.111 3.687 -1.959 -0.539 RESID 301 (A): -5.911 ----- 0.840 0.717 -0.231 -0.871 RESID 302 (Y): -1.743 ----- -0.808 -0.475 1.236 -0.399 RESID 303 (Q): -2.385 ----- -1.623 0.074 1.160 -0.504 RESID 304 (S): -0.291 ----- -1.577 -0.850 0.955 -0.212 RESID 305 (R): 1.460 ----- -2.483 1.322 0.243 -0.638 RESID 306 (E): 2.366 ----- -1.408 0.943 0.848 0.272 RESID 307 (A): -2.589 ----- -1.064 1.268 0.843 0.113 DATA CS_STAT_INFO N RMS: 2.553 ppm Count: 236 Average Difference: -0.324 +/- 2.538 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.145 ppm Count: 239 Average Difference: 0.358 +/- 1.090 ppm DATA CS_STAT_INFO CA RMS: 1.543 ppm Count: 241 Average Difference: 0.102 +/- 1.543 ppm DATA CS_STAT_INFO CB RMS: 2.548 ppm Count: 215 Average Difference: -0.646 +/- 2.471 ppm DATA CS_STAT_INFO HN RMS: 0.440 ppm Count: 249 Average Difference: -0.075 +/- 0.435 ppm ############################################################################ For conformer 2: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 122.404 0.691 RESID 15 (V): C 176.453 176.453 175.473 0.980 RESID 15 (V): CA 63.979 63.979 60.271 3.708 RESID 15 (V): CB 32.507 32.507 35.510 -3.003 RESID 15 (V): H 8.053 8.053 7.843 0.210 RESID 16 (K): N 123.075 123.075 123.124 -0.049 RESID 16 (K): C 176.841 176.841 178.559 -1.718 RESID 16 (K): CA 59.762 59.762 59.654 0.108 RESID 16 (K): CB 32.751 32.751 32.409 0.342 RESID 16 (K): H 8.059 8.059 8.668 -0.609 RESID 17 (F): N 118.838 118.838 119.313 -0.475 RESID 17 (F): C 175.443 175.443 177.541 -2.098 RESID 17 (F): CA 59.915 59.915 60.606 -0.691 RESID 17 (F): CB 39.659 39.659 38.837 0.822 RESID 17 (F): H 7.909 7.909 8.287 -0.378 RESID 18 (L): N 119.089 119.089 120.203 -1.114 RESID 18 (L): C 177.195 177.195 177.647 -0.452 RESID 18 (L): CA 55.385 55.385 56.696 -1.311 RESID 18 (L): CB 42.905 42.905 41.748 1.157 RESID 18 (L): H 7.814 7.814 8.172 -0.358 RESID 19 (G): N 108.484 108.484 107.838 0.646 RESID 19 (G): C 174.967 174.967 175.542 -0.575 RESID 19 (G): CA 45.518 45.518 47.130 -1.613 RESID 19 (G): H 8.032 8.032 8.167 -0.135 RESID 20 (A): N 124.208 124.208 123.817 0.391 RESID 20 (A): C 179.405 179.405 179.406 -0.001 RESID 20 (A): CA 54.531 54.531 54.394 0.137 RESID 20 (A): CB 18.995 18.995 18.102 0.893 RESID 20 (A): H 8.318 8.318 7.984 0.334 RESID 21 (G): N 108.209 108.209 107.117 1.092 RESID 21 (G): C 175.676 175.676 176.132 -0.456 RESID 21 (G): CA 46.742 46.742 47.203 -0.461 RESID 21 (G): H 8.523 8.523 8.061 0.462 RESID 22 (T): N 119.542 119.542 114.668 4.874 RESID 22 (T): C 175.661 175.661 176.262 -0.601 RESID 22 (T): CA 66.401 66.401 64.979 1.422 RESID 22 (T): CB 68.866 68.866 68.703 0.163 RESID 22 (T): H 7.881 7.881 8.301 -0.420 RESID 23 (A): N 123.431 123.431 124.939 -1.508 RESID 23 (A): C 178.628 178.628 179.039 -0.411 RESID 23 (A): CA 55.480 55.480 54.877 0.603 RESID 23 (A): CB 18.218 18.218 18.187 0.031 RESID 23 (A): H 8.263 8.263 7.464 0.799 RESID 24 (A): N 119.939 119.939 120.927 -0.988 RESID 24 (A): C 179.172 179.172 179.392 -0.220 RESID 24 (A): CA 55.038 55.038 55.027 0.011 RESID 24 (A): CB 18.385 18.385 18.223 0.162 RESID 24 (A): H 7.827 7.827 8.291 -0.464 RESID 25 (C): N 116.736 116.736 116.381 0.355 RESID 25 (C): C 176.220 176.220 177.038 -0.818 RESID 25 (C): CA 58.596 58.596 64.251 -5.655 RESID 25 (C): CB 41.771 41.771 27.626 14.145 RESID 25 (C): H 7.677 7.677 7.410 0.267 RESID 26 (I): N 119.154 119.154 118.018 1.136 RESID 26 (I): C 176.915 176.915 177.372 -0.457 RESID 26 (I): CA 64.858 64.858 64.755 0.103 RESID 26 (I): CB 38.090 38.090 37.199 0.891 RESID 26 (I): H 7.899 7.899 7.598 0.301 RESID 27 (A): N 121.116 121.116 122.750 -1.634 RESID 27 (A): C 179.016 179.016 179.083 -0.067 RESID 27 (A): CA 55.367 55.367 54.870 0.497 RESID 27 (A): CB 18.385 18.385 18.662 -0.277 RESID 27 (A): H 7.909 7.909 7.965 -0.056 RESID 28 (D): N 116.829 116.829 118.627 -1.798 RESID 28 (D): C 177.643 177.643 178.428 -0.785 RESID 28 (D): CA 56.453 56.453 57.665 -1.212 RESID 28 (D): CB 41.128 41.128 40.726 0.402 RESID 28 (D): H 7.554 7.554 7.589 -0.035 RESID 29 (L): N 119.672 119.672 120.765 -1.093 RESID 29 (L): C 178.628 178.628 178.958 -0.330 RESID 29 (L): CA 57.144 57.144 58.540 -1.396 RESID 29 (L): CB 43.146 43.146 42.081 1.065 RESID 29 (L): H 7.732 7.732 7.398 0.334 RESID 30 (I): N 113.629 113.629 115.271 -1.642 RESID 30 (I): C 176.456 176.456 177.068 -0.612 RESID 30 (I): CA 60.539 60.539 62.931 -2.392 RESID 30 (I): CB 38.506 38.506 37.967 0.539 RESID 30 (I): H 7.977 7.977 7.625 0.352 RESID 31 (T): N 113.314 113.314 113.854 -0.540 RESID 31 (T): C 174.045 174.045 175.202 -1.157 RESID 31 (T): CA 62.495 62.495 63.760 -1.264 RESID 31 (T): CB 69.898 69.898 70.123 -0.225 RESID 31 (T): H 7.738 7.738 7.293 0.445 RESID 32 (F): N 123.409 123.409 123.701 -0.292 RESID 32 (F): CA 56.349 56.349 62.333 -5.984 RESID 32 (F): CB 39.148 39.148 37.004 2.144 RESID 32 (F): H 7.609 7.609 8.855 -1.246 RESID 33 (P): C 177.831 177.831 177.543 0.288 RESID 33 (P): CA 62.656 62.656 65.147 -2.491 RESID 33 (P): CB 34.762 34.762 31.216 3.546 RESID 34 (L): N 124.503 124.503 118.321 6.182 RESID 34 (L): C 176.298 176.298 178.013 -1.715 RESID 34 (L): CA 55.545 55.545 57.403 -1.858 RESID 34 (L): CB 43.287 43.287 42.036 1.251 RESID 34 (L): H 8.659 8.659 7.319 1.340 RESID 35 (D): N 121.663 121.663 117.833 3.830 RESID 35 (D): C 177.152 177.152 178.059 -0.907 RESID 35 (D): CA 54.326 54.326 57.139 -2.813 RESID 35 (D): CB 41.154 41.154 40.623 0.531 RESID 35 (D): H 8.236 8.236 7.535 0.701 RESID 36 (T): N 115.977 115.977 113.986 1.991 RESID 36 (T): C 177.088 177.088 175.803 1.285 RESID 36 (T): CA 64.868 64.868 65.233 -0.365 RESID 36 (T): CB 69.053 69.053 68.669 0.384 RESID 36 (T): H 8.127 8.127 7.898 0.229 RESID 37 (A): N 125.063 125.063 122.234 2.829 RESID 37 (A): C 179.143 179.143 179.079 0.064 RESID 37 (A): CA 55.234 55.234 54.992 0.242 RESID 37 (A): CB 18.735 18.735 18.369 0.366 RESID 37 (A): H 8.042 8.042 7.682 0.360 RESID 38 (K): N 117.827 117.827 117.492 0.335 RESID 38 (K): C 178.239 178.239 178.233 0.006 RESID 38 (K): CA 58.861 58.861 58.767 0.094 RESID 38 (K): CB 32.724 32.724 31.922 0.802 RESID 38 (K): H 7.759 7.759 7.506 0.253 RESID 39 (V): N 118.955 118.955 117.829 1.126 RESID 39 (V): C 177.892 177.892 178.180 -0.288 RESID 39 (V): CA 65.478 65.478 64.971 0.507 RESID 39 (V): CB 34.675 34.675 31.765 2.910 RESID 39 (V): H 7.554 7.554 7.378 0.176 RESID 40 (R): N 119.922 119.922 118.354 1.568 RESID 40 (R): C 178.391 178.391 178.583 -0.192 RESID 40 (R): CA 59.648 59.648 58.959 0.689 RESID 40 (R): CB 29.933 29.933 30.216 -0.283 RESID 40 (R): H 7.794 7.794 7.414 0.380 RESID 41 (L): N 118.720 118.720 120.237 -1.517 RESID 41 (L): CA 54.749 54.749 55.412 -0.663 RESID 41 (L): CB 40.429 40.429 39.403 1.026 RESID 41 (L): H 7.534 7.534 7.505 0.029 RESID 49 (G): C 174.779 174.779 174.776 0.003 RESID 50 (L): N 123.029 123.029 122.016 1.013 RESID 50 (L): C 178.482 178.482 178.486 -0.004 RESID 50 (L): CA 56.765 56.765 57.255 -0.490 RESID 50 (L): CB 41.673 41.673 41.520 0.153 RESID 50 (L): H 8.113 8.113 7.820 0.293 RESID 51 (V): N 118.714 118.714 119.749 -1.035 RESID 51 (V): C 178.032 178.032 177.684 0.348 RESID 51 (V): CA 66.037 66.037 66.395 -0.358 RESID 51 (V): CB 30.763 30.763 31.150 -0.387 RESID 51 (V): H 7.974 7.974 7.587 0.387 RESID 52 (R): N 121.569 121.569 117.019 4.550 RESID 52 (R): CA 59.167 59.167 58.232 0.935 RESID 52 (R): CB 29.437 29.437 29.712 -0.275 RESID 52 (R): H 8.231 8.231 8.327 -0.096 RESID 53 (T): C 175.108 175.108 175.283 -0.175 RESID 53 (T): H 7.948 7.948 7.539 0.409 RESID 54 (A): N 121.823 121.823 122.738 -0.915 RESID 54 (A): C 174.922 174.922 175.975 -1.053 RESID 54 (A): CA 50.101 50.101 51.043 -0.942 RESID 54 (A): CB 18.950 18.950 20.298 -1.348 RESID 54 (A): H 7.792 7.792 7.806 -0.014 RESID 55 (A): N 113.986 113.986 117.662 -3.676 RESID 55 (A): C 178.007 178.007 176.475 1.532 RESID 55 (A): CA 53.458 53.458 52.202 1.256 RESID 55 (A): CB 18.809 18.809 19.630 -0.821 RESID 55 (A): H 7.333 7.333 8.244 -0.911 RESID 56 (S): N 125.425 125.425 114.883 10.542 RESID 56 (S): C 174.899 174.899 174.640 0.259 RESID 56 (S): CA 59.520 59.520 57.444 2.075 RESID 56 (S): CB 64.051 64.051 64.088 -0.037 RESID 56 (S): H 7.786 7.786 7.753 0.033 RESID 57 (A): N 118.183 118.183 120.901 -2.718 RESID 57 (A): CA 53.783 53.783 52.625 1.158 RESID 57 (A): CB 17.599 17.599 18.035 -0.436 RESID 57 (A): H 8.018 8.018 7.847 0.171 RESID 59 (Y): C 177.662 177.662 176.967 0.695 RESID 60 (R): N 122.798 122.798 122.466 0.332 RESID 60 (R): C 177.956 177.956 176.811 1.145 RESID 60 (R): CA 58.711 58.711 57.748 0.963 RESID 60 (R): CB 30.659 30.659 30.448 0.211 RESID 60 (R): H 8.311 8.311 8.597 -0.286 RESID 61 (G): N 109.033 109.033 108.124 0.909 RESID 61 (G): C 176.064 176.064 175.306 0.758 RESID 61 (G): CA 46.592 46.592 45.234 1.357 RESID 61 (G): H 8.182 8.182 8.161 0.021 RESID 62 (V): N 123.218 123.218 125.528 -2.310 RESID 62 (V): C 177.540 177.540 177.219 0.321 RESID 62 (V): CA 66.277 66.277 64.573 1.704 RESID 62 (V): CB 32.355 32.355 32.279 0.076 RESID 62 (V): H 8.105 8.105 8.425 -0.320 RESID 63 (L): N 120.295 120.295 119.307 0.988 RESID 63 (L): C 178.628 178.628 179.363 -0.735 RESID 63 (L): CA 58.366 58.366 57.625 0.741 RESID 63 (L): CB 41.675 41.675 40.309 1.366 RESID 63 (L): H 8.182 8.182 8.391 -0.209 RESID 64 (G): N 106.013 106.013 106.054 -0.041 RESID 64 (G): C 176.531 176.531 176.288 0.243 RESID 64 (G): CA 47.765 47.765 47.077 0.688 RESID 64 (G): H 8.102 8.102 7.704 0.398 RESID 65 (T): N 120.842 120.842 119.575 1.267 RESID 65 (T): C 176.453 176.453 176.527 -0.074 RESID 65 (T): CA 67.140 67.140 66.358 0.782 RESID 65 (T): CB 69.161 69.161 68.893 0.268 RESID 65 (T): H 7.854 7.854 7.416 0.438 RESID 66 (I): N 122.676 122.676 120.764 1.912 RESID 66 (I): C 177.307 177.307 177.517 -0.210 RESID 66 (I): CA 65.832 65.832 62.675 3.157 RESID 66 (I): CB 38.090 38.090 36.562 1.528 RESID 66 (I): H 8.018 8.018 7.456 0.562 RESID 67 (L): N 119.838 119.838 118.599 1.239 RESID 67 (L): C 178.706 178.706 178.880 -0.174 RESID 67 (L): CA 58.491 58.491 58.102 0.389 RESID 67 (L): CB 41.387 41.387 41.320 0.067 RESID 67 (L): H 8.291 8.291 7.500 0.791 RESID 68 (T): N 115.362 115.362 115.126 0.236 RESID 68 (T): C 176.764 176.764 176.424 0.340 RESID 68 (T): CA 67.040 67.040 66.321 0.719 RESID 68 (T): CB 69.403 69.403 68.647 0.756 RESID 68 (T): H 7.963 7.963 7.257 0.706 RESID 69 (M): N 122.960 122.960 120.805 2.155 RESID 69 (M): C 177.153 177.153 177.652 -0.499 RESID 69 (M): CA 59.710 59.710 59.235 0.475 RESID 69 (M): CB 33.111 33.111 32.782 0.329 RESID 69 (M): H 7.977 7.977 7.616 0.361 RESID 70 (V): N 119.558 119.558 114.651 4.907 RESID 70 (V): C 176.841 176.841 177.877 -1.036 RESID 70 (V): CA 66.277 66.277 64.191 2.086 RESID 70 (V): CB 31.362 31.362 31.264 0.098 RESID 70 (V): H 7.751 7.751 7.385 0.366 RESID 71 (R): N 118.002 118.002 118.685 -0.683 RESID 71 (R): C 177.152 177.152 177.832 -0.680 RESID 71 (R): CA 58.761 58.761 58.402 0.359 RESID 71 (R): CB 30.656 30.656 30.030 0.626 RESID 71 (R): H 7.827 7.827 7.572 0.255 RESID 72 (T): N 111.410 111.410 114.771 -3.361 RESID 72 (T): C 175.288 175.288 175.675 -0.387 RESID 72 (T): CA 64.194 64.194 64.928 -0.734 RESID 72 (T): CB 70.312 70.312 69.028 1.284 RESID 72 (T): H 7.745 7.745 7.513 0.232 RESID 73 (E): N 120.577 120.577 117.746 2.831 RESID 73 (E): C 177.696 177.696 176.229 1.467 RESID 73 (E): CA 57.363 57.363 55.538 1.825 RESID 73 (E): CB 30.927 30.927 31.279 -0.352 RESID 73 (E): H 8.263 8.263 8.161 0.102 RESID 74 (G): N 108.209 108.209 108.646 -0.437 RESID 74 (G): CA 45.593 45.593 44.483 1.110 RESID 74 (G): H 7.841 7.841 7.318 0.523 RESID 75 (P): C 177.152 177.152 178.552 -1.400 RESID 75 (P): CA 65.652 65.652 64.719 0.933 RESID 75 (P): CB 32.294 32.294 32.017 0.277 RESID 76 (R): N 118.553 118.553 116.877 1.676 RESID 76 (R): C 177.696 177.696 177.985 -0.289 RESID 76 (R): CA 59.785 59.785 58.313 1.472 RESID 76 (R): CB 29.671 29.671 29.073 0.598 RESID 76 (R): H 8.427 8.427 8.670 -0.243 RESID 77 (S): N 115.323 115.323 114.465 0.858 RESID 77 (S): C 177.230 177.230 175.586 1.644 RESID 77 (S): CA 61.318 61.318 61.036 0.282 RESID 77 (S): CB 63.281 63.281 63.381 -0.100 RESID 77 (S): H 7.963 7.963 8.122 -0.159 RESID 78 (L): N 122.598 122.598 120.624 1.974 RESID 78 (L): C 177.696 177.696 177.333 0.363 RESID 78 (L): CA 57.792 57.792 56.772 1.020 RESID 78 (L): CB 42.202 42.202 42.472 -0.270 RESID 78 (L): H 7.595 7.595 7.617 -0.022 RESID 79 (Y): N 119.276 119.276 112.754 6.522 RESID 79 (Y): C 176.142 176.142 175.516 0.626 RESID 79 (Y): CA 60.792 60.792 57.800 2.992 RESID 79 (Y): CB 38.687 38.687 38.606 0.081 RESID 79 (Y): H 7.868 7.868 7.571 0.297 RESID 80 (N): N 117.249 117.249 118.694 -1.445 RESID 80 (N): C 178.472 178.472 175.735 2.737 RESID 80 (N): CA 53.024 53.024 53.968 -0.944 RESID 80 (N): CB 37.946 37.946 38.694 -0.748 RESID 80 (N): H 8.374 8.374 7.571 0.803 RESID 81 (G): N 108.575 108.575 113.785 -5.210 RESID 81 (G): C 175.521 175.521 175.257 0.264 RESID 81 (G): CA 46.266 46.266 45.624 0.642 RESID 81 (G): H 8.086 8.086 8.655 -0.569 RESID 82 (L): N 124.326 124.326 122.368 1.958 RESID 82 (L): C 178.239 178.239 177.739 0.500 RESID 82 (L): CA 58.217 58.217 57.413 0.803 RESID 82 (L): CB 42.351 42.351 41.998 0.353 RESID 82 (L): H 7.991 7.991 7.423 0.568 RESID 83 (V): N 117.727 117.727 117.953 -0.226 RESID 83 (V): C 177.851 177.851 177.024 0.827 RESID 83 (V): CA 64.113 64.113 64.635 -0.522 RESID 83 (V): CB 31.924 31.924 30.972 0.952 RESID 83 (V): H 8.004 8.004 8.271 -0.267 RESID 84 (A): N 121.414 121.414 121.788 -0.374 RESID 84 (A): C 180.570 180.570 179.723 0.847 RESID 84 (A): CA 55.031 55.031 54.634 0.397 RESID 84 (A): CB 18.286 18.286 18.405 -0.119 RESID 84 (A): H 7.677 7.677 7.287 0.390 RESID 85 (G): N 106.471 106.471 107.283 -0.812 RESID 85 (G): C 175.521 175.521 176.047 -0.526 RESID 85 (G): CA 47.191 47.191 46.532 0.659 RESID 85 (G): H 7.963 7.963 7.609 0.354 RESID 86 (L): N 122.326 122.326 121.570 0.756 RESID 86 (L): C 178.239 178.239 178.935 -0.696 RESID 86 (L): CA 57.493 57.493 57.062 0.431 RESID 86 (L): CB 42.202 42.202 41.588 0.614 RESID 86 (L): H 8.100 8.100 7.323 0.777 RESID 87 (Q): N 117.736 117.736 117.777 -0.041 RESID 87 (Q): C 177.340 177.340 177.808 -0.468 RESID 87 (Q): CA 57.787 57.787 58.653 -0.866 RESID 87 (Q): CB 28.942 28.942 28.053 0.889 RESID 87 (Q): H 8.004 8.004 7.800 0.204 RESID 88 (R): N 118.107 118.107 118.952 -0.845 RESID 88 (R): C 177.930 177.930 178.726 -0.796 RESID 88 (R): CA 58.062 58.062 59.779 -1.717 RESID 88 (R): CB 30.774 30.774 29.910 0.864 RESID 88 (R): H 7.568 7.568 7.395 0.173 RESID 89 (Q): N 117.921 117.921 118.051 -0.130 RESID 89 (Q): C 177.375 177.375 178.455 -1.080 RESID 89 (Q): CA 56.838 56.838 58.182 -1.344 RESID 89 (Q): CB 29.006 29.006 28.114 0.892 RESID 89 (Q): H 7.827 7.827 7.520 0.307 RESID 90 (M): N 118.378 118.378 118.589 -0.211 RESID 90 (M): C 176.365 176.365 178.395 -2.030 RESID 90 (M): CA 56.339 56.339 57.067 -0.728 RESID 90 (M): CB 33.444 33.444 31.786 1.658 RESID 90 (M): H 7.963 7.963 8.385 -0.422 RESID 91 (S): N 115.089 115.089 115.560 -0.471 RESID 91 (S): C 175.899 175.899 177.144 -1.245 RESID 91 (S): CA 58.621 58.621 61.136 -2.515 RESID 91 (S): CB 64.337 64.337 63.046 1.291 RESID 91 (S): H 7.868 7.868 7.779 0.089 RESID 92 (F): N 122.852 122.852 124.463 -1.611 RESID 92 (F): C 177.375 177.375 176.629 0.746 RESID 92 (F): CA 59.095 59.095 61.201 -2.106 RESID 92 (F): CB 38.937 38.937 38.888 0.049 RESID 92 (F): H 8.332 8.332 7.604 0.728 RESID 93 (A): N 123.258 123.258 120.184 3.074 RESID 93 (A): C 178.628 178.628 179.019 -0.391 RESID 93 (A): CA 54.881 54.881 54.524 0.357 RESID 93 (A): CB 17.902 17.902 18.333 -0.431 RESID 93 (A): H 8.223 8.223 7.726 0.497 RESID 94 (S): N 112.886 112.886 115.601 -2.715 RESID 94 (S): C 176.831 176.831 177.158 -0.327 RESID 94 (S): CA 60.319 60.319 61.059 -0.740 RESID 94 (S): CB 63.611 63.611 63.368 0.243 RESID 94 (S): H 7.977 7.977 7.757 0.220 RESID 95 (V): N 121.854 121.854 118.953 2.901 RESID 95 (V): C 176.220 176.220 176.806 -0.586 RESID 95 (V): CA 64.629 64.629 65.168 -0.539 RESID 95 (V): CB 31.328 31.328 30.534 0.794 RESID 95 (V): H 7.581 7.581 8.284 -0.703 RESID 96 (R): N 121.329 121.329 119.195 2.134 RESID 96 (R): C 176.814 176.814 177.036 -0.222 RESID 96 (R): CA 58.636 58.636 57.633 1.003 RESID 96 (R): CB 30.672 30.672 29.321 1.351 RESID 96 (R): H 7.936 7.936 7.261 0.675 RESID 97 (I): N 119.194 119.194 118.136 1.058 RESID 97 (I): C 177.152 177.152 176.161 0.991 RESID 97 (I): CA 63.296 63.296 62.181 1.115 RESID 97 (I): CB 38.757 38.757 38.714 0.043 RESID 97 (I): H 7.802 7.802 7.542 0.260 RESID 98 (G): N 109.857 109.857 107.978 1.879 RESID 98 (G): C 176.064 176.064 175.030 1.034 RESID 98 (G): CA 46.941 46.941 46.219 0.722 RESID 98 (G): H 8.127 8.127 7.741 0.386 RESID 99 (L): N 123.258 123.258 123.296 -0.038 RESID 99 (L): C 177.856 177.856 177.940 -0.084 RESID 99 (L): CA 58.264 58.264 56.770 1.494 RESID 99 (L): CB 42.488 42.488 41.463 1.025 RESID 99 (L): H 8.223 8.223 8.229 -0.006 RESID 100 (Y): N 119.770 119.770 120.188 -0.418 RESID 100 (Y): C 176.997 176.997 176.703 0.294 RESID 100 (Y): CA 61.592 61.592 61.274 0.318 RESID 100 (Y): CB 38.809 38.809 37.791 1.018 RESID 100 (Y): H 8.207 8.207 7.913 0.294 RESID 101 (D): N 118.460 118.460 118.369 0.091 RESID 101 (D): C 178.939 178.939 178.366 0.573 RESID 101 (D): CA 57.797 57.797 56.484 1.313 RESID 101 (D): CB 40.498 40.498 40.046 0.452 RESID 101 (D): H 8.401 8.401 8.192 0.209 RESID 102 (S): N 116.022 116.022 114.937 1.085 RESID 102 (S): C 176.005 176.005 176.213 -0.208 RESID 102 (S): CA 62.791 62.791 61.470 1.321 RESID 102 (S): CB 64.211 64.211 63.372 0.839 RESID 102 (S): H 7.854 7.854 7.495 0.359 RESID 103 (V): N 120.844 120.844 120.593 0.251 RESID 103 (V): C 177.307 177.307 177.367 -0.060 RESID 103 (V): CA 66.510 66.510 64.749 1.762 RESID 103 (V): CB 31.965 31.965 31.816 0.149 RESID 103 (V): H 7.926 7.926 7.624 0.302 RESID 104 (K): N 120.468 120.468 119.847 0.621 RESID 104 (K): C 178.861 178.861 178.901 -0.040 RESID 104 (K): CA 60.184 60.184 59.965 0.219 RESID 104 (K): CB 31.979 31.979 32.267 -0.288 RESID 104 (K): H 8.127 8.127 7.834 0.293 RESID 105 (Q): N 118.386 118.386 117.237 1.149 RESID 105 (Q): C 177.540 177.540 177.561 -0.021 RESID 105 (Q): CA 58.786 58.786 57.669 1.117 RESID 105 (Q): CB 28.377 28.377 28.750 -0.373 RESID 105 (Q): H 7.841 7.841 7.583 0.258 RESID 106 (F): N 119.471 119.471 117.854 1.617 RESID 106 (F): C 176.531 176.531 175.279 1.252 RESID 106 (F): CA 60.593 60.593 60.002 0.591 RESID 106 (F): CB 39.459 39.459 39.229 0.230 RESID 106 (F): H 7.772 7.772 7.634 0.138 RESID 107 (Y): N 118.288 118.288 113.853 4.435 RESID 107 (Y): C 176.220 176.220 176.426 -0.206 RESID 107 (Y): CA 60.543 60.543 58.848 1.695 RESID 107 (Y): CB 38.819 38.819 39.915 -1.096 RESID 107 (Y): H 8.045 8.045 7.383 0.662 RESID 108 (T): N 113.383 113.383 112.747 0.636 RESID 108 (T): C 175.288 175.288 173.984 1.304 RESID 108 (T): CA 64.094 64.094 61.290 2.804 RESID 108 (T): CB 69.986 69.986 68.936 1.050 RESID 108 (T): H 7.868 7.868 7.614 0.254 RESID 113 (H): C 173.413 173.413 173.898 -0.485 RESID 113 (H): H 7.968 7.968 8.832 -0.864 RESID 114 (A): N 119.456 119.456 122.267 -2.811 RESID 114 (A): C 177.851 177.851 175.904 1.947 RESID 114 (A): CA 53.283 53.283 51.898 1.385 RESID 114 (A): CB 19.362 19.362 18.912 0.450 RESID 114 (A): H 8.433 8.433 8.328 0.105 RESID 115 (G): N 108.484 108.484 104.565 3.919 RESID 115 (G): C 174.822 174.822 174.969 -0.147 RESID 115 (G): CA 45.968 45.968 45.212 0.756 RESID 115 (G): H 8.250 8.250 8.095 0.155 RESID 116 (I): N 121.139 121.139 121.507 -0.368 RESID 116 (I): C 176.841 176.841 177.757 -0.916 RESID 116 (I): CA 63.160 63.160 63.376 -0.216 RESID 116 (I): CB 38.853 38.853 37.248 1.605 RESID 116 (I): H 8.127 8.127 8.102 0.025 RESID 117 (G): N 110.863 110.863 107.060 3.803 RESID 117 (G): C 174.588 174.588 176.638 -2.050 RESID 117 (G): CA 46.791 46.791 47.303 -0.512 RESID 117 (G): H 8.509 8.509 8.412 0.097 RESID 118 (S): N 116.069 116.069 117.862 -1.793 RESID 118 (S): C 175.754 175.754 176.952 -1.198 RESID 118 (S): CA 60.319 60.319 61.167 -0.848 RESID 118 (S): CB 63.864 63.864 62.648 1.216 RESID 118 (S): H 7.991 7.991 8.004 -0.013 RESID 119 (R): N 122.134 122.134 120.850 1.284 RESID 119 (R): C 178.228 178.228 178.912 -0.684 RESID 119 (R): CA 57.787 57.787 59.572 -1.785 RESID 119 (R): CB 30.549 30.549 30.045 0.504 RESID 119 (R): H 7.963 7.963 8.225 -0.262 RESID 120 (L): N 120.403 120.403 120.682 -0.279 RESID 120 (L): C 177.230 177.230 179.103 -1.873 RESID 120 (L): CA 57.967 57.967 58.013 -0.046 RESID 120 (L): CB 42.146 42.146 41.669 0.477 RESID 120 (L): H 7.914 7.914 7.594 0.320 RESID 121 (L): N 118.960 118.960 119.425 -0.465 RESID 121 (L): C 177.152 177.152 179.241 -2.089 RESID 121 (L): CA 55.495 55.495 58.054 -2.559 RESID 121 (L): CB 42.238 42.238 41.274 0.964 RESID 121 (L): H 7.718 7.718 8.176 -0.458 RESID 122 (A): N 123.063 123.063 121.464 1.599 RESID 122 (A): C 178.317 178.317 179.908 -1.591 RESID 122 (A): CA 53.358 53.358 55.521 -2.163 RESID 122 (A): CB 19.218 19.218 17.969 1.249 RESID 122 (A): H 7.745 7.745 8.786 -1.041 RESID 123 (G): N 107.843 107.843 106.579 1.264 RESID 123 (G): C 176.912 176.912 176.390 0.522 RESID 123 (G): CA 45.943 45.943 47.079 -1.136 RESID 123 (G): H 8.113 8.113 8.870 -0.757 RESID 124 (S): N 116.105 116.105 116.766 -0.661 RESID 124 (S): C 175.574 175.574 176.866 -1.292 RESID 124 (S): CA 59.145 59.145 61.616 -2.471 RESID 124 (S): CB 64.211 64.211 63.136 1.075 RESID 124 (S): H 8.109 8.109 8.558 -0.449 RESID 125 (T): N 116.069 116.069 118.401 -2.332 RESID 125 (T): C 176.055 176.055 176.688 -0.633 RESID 125 (T): CA 66.921 66.921 66.744 0.177 RESID 125 (T): CB 69.682 69.682 68.655 1.027 RESID 125 (T): H 8.086 8.086 8.351 -0.265 RESID 126 (T): N 115.439 115.439 117.318 -1.879 RESID 126 (T): C 177.443 177.443 176.518 0.925 RESID 126 (T): CA 65.285 65.285 66.229 -0.944 RESID 126 (T): CB 68.364 68.364 68.294 0.070 RESID 126 (T): H 7.977 7.977 8.404 -0.427 RESID 127 (G): N 115.453 115.453 108.286 7.167 RESID 127 (G): C 174.215 174.215 175.093 -0.878 RESID 127 (G): CA 46.117 46.117 46.934 -0.817 RESID 127 (G): H 8.168 8.168 8.079 0.090 RESID 128 (A): N 123.952 123.952 124.594 -0.642 RESID 128 (A): C 178.162 178.162 179.603 -1.441 RESID 128 (A): CA 53.349 53.349 54.728 -1.379 RESID 128 (A): CB 19.099 19.099 18.345 0.754 RESID 128 (A): H 7.919 7.919 7.500 0.419 RESID 129 (L): N 120.025 120.025 119.392 0.633 RESID 129 (L): C 177.949 177.949 178.498 -0.549 RESID 129 (L): CA 56.019 56.019 57.443 -1.424 RESID 129 (L): CB 42.340 42.340 41.786 0.554 RESID 129 (L): H 7.936 7.936 7.491 0.445 RESID 130 (A): N 123.402 123.402 121.031 2.371 RESID 130 (A): C 177.929 177.929 179.350 -1.421 RESID 130 (A): CA 53.283 53.283 55.012 -1.729 RESID 130 (A): CB 18.964 18.964 18.373 0.591 RESID 130 (A): H 7.868 7.868 8.062 -0.194 RESID 131 (V): N 118.111 118.111 118.688 -0.577 RESID 131 (V): C 176.025 176.025 177.323 -1.298 RESID 131 (V): CA 63.180 63.180 64.424 -1.244 RESID 131 (V): CB 32.898 32.898 31.457 1.441 RESID 131 (V): H 7.636 7.636 7.978 -0.342 RESID 132 (A): N 124.047 124.047 121.700 2.347 RESID 132 (A): C 179.008 179.008 178.887 0.121 RESID 132 (A): CA 53.707 53.707 54.719 -1.012 RESID 132 (A): CB 19.150 19.150 18.573 0.577 RESID 132 (A): H 7.911 7.911 7.469 0.442 RESID 133 (V): N 113.349 113.349 118.377 -5.028 RESID 133 (V): C 175.527 175.527 176.249 -0.722 RESID 133 (V): CA 64.115 64.115 63.117 0.997 RESID 133 (V): CB 31.832 31.832 32.627 -0.795 RESID 133 (V): H 7.094 7.094 7.564 -0.470 RESID 134 (A): N 123.224 123.224 120.384 2.840 RESID 134 (A): CA 55.493 55.493 51.659 3.834 RESID 134 (A): H 7.586 7.586 7.500 0.086 RESID 136 (P): C 177.074 177.074 178.532 -1.458 RESID 137 (T): N 113.281 113.281 108.317 4.964 RESID 137 (T): C 174.485 174.485 176.499 -2.014 RESID 137 (T): CA 64.496 64.496 66.115 -1.619 RESID 137 (T): CB 69.997 69.997 68.201 1.796 RESID 137 (T): H 7.963 7.963 8.237 -0.274 RESID 138 (D): N 122.770 122.770 122.495 0.275 RESID 138 (D): C 178.458 178.458 178.444 0.014 RESID 138 (D): CA 56.776 56.776 56.929 -0.153 RESID 138 (D): CB 41.023 41.023 40.803 0.219 RESID 138 (D): H 8.094 8.094 7.731 0.363 RESID 139 (V): N 119.931 119.931 120.064 -0.133 RESID 139 (V): C 177.502 177.502 178.187 -0.685 RESID 139 (V): CA 66.455 66.455 66.442 0.013 RESID 139 (V): CB 32.804 32.804 31.954 0.850 RESID 139 (V): H 7.753 7.753 7.798 -0.045 RESID 140 (V): N 120.539 120.539 120.281 0.258 RESID 140 (V): C 176.232 176.232 177.857 -1.625 RESID 140 (V): CA 66.770 66.770 66.783 -0.013 RESID 140 (V): CB 32.086 32.086 31.315 0.771 RESID 140 (V): H 8.295 8.295 8.200 0.095 RESID 141 (K): N 120.122 120.122 120.583 -0.461 RESID 141 (K): C 176.120 176.120 179.314 -3.194 RESID 141 (K): CA 55.991 55.991 60.003 -4.012 RESID 141 (K): CB 31.712 31.712 32.240 -0.528 RESID 141 (K): H 7.698 7.698 7.874 -0.176 RESID 142 (V): N 120.104 120.104 119.287 0.817 RESID 142 (V): CA 63.230 63.230 66.354 -3.124 RESID 142 (V): H 7.772 7.772 7.548 0.224 RESID 143 (R): C 178.401 178.401 178.724 -0.323 RESID 143 (R): H 7.999 7.999 7.674 0.325 RESID 144 (F): N 120.445 120.445 119.994 0.451 RESID 144 (F): C 177.856 177.856 176.423 1.433 RESID 144 (F): CA 61.438 61.438 60.959 0.479 RESID 144 (F): H 8.395 8.395 8.453 -0.058 RESID 145 (Q): N 124.180 124.180 118.063 6.117 RESID 145 (Q): C 174.844 174.844 177.244 -2.400 RESID 145 (Q): CA 56.414 56.414 57.917 -1.503 RESID 145 (Q): CB 30.721 30.721 29.249 1.472 RESID 145 (Q): H 8.094 8.094 7.815 0.279 RESID 146 (A): N 120.452 120.452 120.113 0.339 RESID 146 (A): C 177.929 177.929 177.706 0.223 RESID 146 (A): CA 53.483 53.483 53.334 0.149 RESID 146 (A): CB 18.431 18.431 19.017 -0.586 RESID 146 (A): H 7.939 7.939 7.366 0.573 RESID 147 (Q): N 119.388 119.388 118.572 0.816 RESID 147 (Q): C 176.029 176.029 175.045 0.984 RESID 147 (Q): CA 56.339 56.339 56.215 0.124 RESID 147 (Q): CB 29.444 29.444 28.039 1.405 RESID 147 (Q): H 8.072 8.072 7.449 0.623 RESID 148 (A): N 125.199 125.199 128.022 -2.823 RESID 148 (A): C 177.766 177.766 177.622 0.144 RESID 148 (A): CA 53.108 53.108 52.225 0.883 RESID 148 (A): CB 19.151 19.151 19.292 -0.141 RESID 148 (A): H 8.055 8.055 8.199 -0.144 RESID 149 (R): N 120.208 120.208 120.503 -0.295 RESID 149 (R): CA 56.414 56.414 55.946 0.468 RESID 149 (R): CB 30.749 30.749 30.533 0.216 RESID 149 (R): H 8.018 8.018 8.077 -0.059 RESID 159 (T): C 175.928 175.928 176.105 -0.177 RESID 160 (V): N 118.321 118.321 120.944 -2.623 RESID 160 (V): C 177.749 177.749 177.841 -0.092 RESID 160 (V): CA 64.126 64.126 66.654 -2.528 RESID 160 (V): CB 31.343 31.343 31.448 -0.105 RESID 160 (V): H 8.073 8.073 8.217 -0.144 RESID 161 (E): N 122.379 122.379 119.685 2.694 RESID 161 (E): C 178.783 178.783 179.018 -0.235 RESID 161 (E): CA 59.550 59.550 59.517 0.033 RESID 161 (E): CB 29.597 29.597 29.305 0.292 RESID 161 (E): H 8.204 8.204 8.656 -0.452 RESID 162 (A): N 122.845 122.845 123.509 -0.664 RESID 162 (A): C 179.948 179.948 179.319 0.629 RESID 162 (A): CA 55.181 55.181 55.155 0.026 RESID 162 (A): CB 18.154 18.154 18.581 -0.427 RESID 162 (A): H 7.786 7.786 8.700 -0.914 RESID 163 (Y): N 118.902 118.902 119.571 -0.669 RESID 163 (Y): C 177.273 177.273 177.879 -0.606 RESID 163 (Y): CA 61.068 61.068 61.715 -0.647 RESID 163 (Y): CB 37.898 37.898 38.676 -0.778 RESID 163 (Y): H 7.922 7.922 8.115 -0.193 RESID 164 (K): N 119.939 119.939 118.576 1.363 RESID 164 (K): C 178.239 178.239 179.123 -0.884 RESID 164 (K): CA 60.309 60.309 59.778 0.531 RESID 164 (K): CB 32.504 32.504 32.569 -0.065 RESID 164 (K): H 8.223 8.223 7.707 0.516 RESID 165 (T): N 115.262 115.262 116.587 -1.325 RESID 165 (T): C 175.676 175.676 176.543 -0.867 RESID 165 (T): CA 66.516 66.516 66.793 -0.277 RESID 165 (T): CB 69.367 69.367 68.503 0.864 RESID 165 (T): H 7.745 7.745 8.298 -0.553 RESID 166 (I): N 121.571 121.571 120.688 0.883 RESID 166 (I): C 177.307 177.307 177.728 -0.421 RESID 166 (I): CA 64.634 64.634 62.451 2.183 RESID 166 (I): CB 38.896 38.896 36.236 2.660 RESID 166 (I): H 7.540 7.540 7.458 0.082 RESID 167 (A): N 121.983 121.983 123.004 -1.021 RESID 167 (A): C 178.395 178.395 180.493 -2.098 RESID 167 (A): CA 54.656 54.656 54.755 -0.099 RESID 167 (A): CB 18.486 18.486 18.204 0.282 RESID 167 (A): H 8.059 8.059 7.725 0.334 RESID 168 (R): N 116.369 116.369 118.432 -2.063 RESID 168 (R): C 177.307 177.307 178.365 -1.058 RESID 168 (R): CA 58.486 58.486 58.679 -0.193 RESID 168 (R): CB 30.930 30.930 29.757 1.173 RESID 168 (R): H 7.690 7.690 7.900 -0.210 RESID 169 (E): N 118.667 118.667 118.293 0.374 RESID 169 (E): C 177.696 177.696 178.504 -0.808 RESID 169 (E): CA 58.212 58.212 58.334 -0.122 RESID 169 (E): CB 30.357 30.357 30.077 0.280 RESID 169 (E): H 8.045 8.045 7.681 0.364 RESID 170 (E): N 118.202 118.202 116.868 1.334 RESID 170 (E): C 177.878 177.878 176.881 0.997 RESID 170 (E): CA 57.363 57.363 56.721 0.641 RESID 170 (E): CB 31.277 31.277 30.947 0.330 RESID 170 (E): H 8.550 8.550 8.415 0.135 RESID 171 (G): N 108.941 108.941 106.947 1.994 RESID 171 (G): C 174.433 174.433 174.850 -0.417 RESID 171 (G): CA 45.193 45.193 44.628 0.565 RESID 171 (G): H 7.881 7.881 7.669 0.212 RESID 172 (I): N 120.842 120.842 117.332 3.510 RESID 172 (I): C 176.997 176.997 177.440 -0.443 RESID 172 (I): CA 63.810 63.810 63.855 -0.045 RESID 172 (I): CB 38.516 38.516 37.782 0.734 RESID 172 (I): H 8.550 8.550 8.330 0.220 RESID 173 (R): N 119.480 119.480 121.391 -1.911 RESID 173 (R): C 178.084 178.084 178.551 -0.467 RESID 173 (R): CA 58.711 58.711 58.679 0.032 RESID 173 (R): CB 29.796 29.796 28.872 0.924 RESID 173 (R): H 8.277 8.277 8.364 -0.087 RESID 174 (G): N 106.379 106.379 108.127 -1.748 RESID 174 (G): C 175.210 175.210 175.770 -0.560 RESID 174 (G): CA 46.767 46.767 46.642 0.125 RESID 174 (G): H 7.690 7.690 7.900 -0.210 RESID 175 (L): N 120.664 120.664 122.225 -1.561 RESID 175 (L): C 177.971 177.971 178.388 -0.417 RESID 175 (L): CA 57.104 57.104 56.863 0.241 RESID 175 (L): CB 42.559 42.559 41.398 1.161 RESID 175 (L): H 7.554 7.554 7.282 0.272 RESID 176 (W): N 117.031 117.031 119.530 -2.499 RESID 176 (W): C 176.987 176.987 177.058 -0.071 RESID 176 (W): CA 57.672 57.672 59.358 -1.687 RESID 176 (W): CB 29.796 29.796 29.412 0.384 RESID 176 (W): H 7.499 7.499 8.186 -0.687 RESID 177 (K): N 120.567 120.567 118.498 2.069 RESID 177 (K): C 177.152 177.152 177.332 -0.180 RESID 177 (K): CA 57.712 57.712 59.861 -2.149 RESID 177 (K): CB 32.890 32.890 31.828 1.062 RESID 177 (K): H 7.595 7.595 7.574 0.021 RESID 178 (G): N 108.667 108.667 102.664 6.003 RESID 178 (G): C 174.045 174.045 175.436 -1.391 RESID 178 (G): CA 45.893 45.893 45.181 0.712 RESID 178 (G): H 7.881 7.881 7.810 0.071 RESID 179 (T): N 115.080 115.080 117.889 -2.809 RESID 179 (T): C 175.192 175.192 176.226 -1.034 RESID 179 (T): CA 66.521 66.521 67.154 -0.633 RESID 179 (T): CB 70.079 70.079 68.904 1.175 RESID 179 (T): H 7.622 7.622 7.958 -0.336 RESID 180 (S): N 117.754 117.754 115.166 2.588 RESID 180 (S): CA 63.123 63.123 62.318 0.805 RESID 180 (S): CB 62.045 62.045 60.943 1.102 RESID 180 (S): H 8.195 8.195 7.205 0.990 RESID 182 (N): C 177.348 177.348 177.642 -0.294 RESID 183 (V): N 118.118 118.118 119.627 -1.509 RESID 183 (V): C 176.944 176.944 177.422 -0.478 RESID 183 (V): CA 65.244 65.244 66.356 -1.113 RESID 183 (V): CB 32.508 32.508 31.613 0.895 RESID 183 (V): H 7.861 7.861 7.426 0.435 RESID 184 (A): N 122.284 122.284 121.986 0.298 RESID 184 (A): C 178.317 178.317 178.788 -0.471 RESID 184 (A): CA 55.339 55.339 55.321 0.018 RESID 184 (A): CB 28.230 28.230 18.176 10.054 RESID 184 (A): H 8.097 8.097 7.467 0.630 RESID 185 (R): N 117.321 117.321 118.963 -1.642 RESID 185 (R): C 177.527 177.527 178.376 -0.849 RESID 185 (R): CA 59.543 59.543 59.689 -0.146 RESID 185 (R): CB 29.767 29.767 30.121 -0.354 RESID 185 (R): H 7.611 7.611 7.790 -0.179 RESID 186 (N): N 117.294 117.294 117.746 -0.452 RESID 186 (N): C 176.599 176.599 177.565 -0.966 RESID 186 (N): CA 56.659 56.659 55.930 0.729 RESID 186 (N): CB 39.454 39.454 37.911 1.543 RESID 186 (N): H 8.048 8.048 7.697 0.351 RESID 187 (A): N 121.003 121.003 123.086 -2.083 RESID 187 (A): C 178.713 178.713 179.566 -0.853 RESID 187 (A): CA 55.520 55.520 55.079 0.441 RESID 187 (A): CB 18.097 18.097 18.602 -0.505 RESID 187 (A): H 7.322 7.322 7.563 -0.241 RESID 188 (I): N 119.319 119.319 119.368 -0.049 RESID 188 (I): C 176.634 176.634 177.811 -1.177 RESID 188 (I): CA 64.225 64.225 65.475 -1.250 RESID 188 (I): CB 37.658 37.658 37.959 -0.301 RESID 188 (I): H 7.779 7.779 7.993 -0.214 RESID 189 (V): N 117.265 117.265 117.585 -0.320 RESID 189 (V): C 177.529 177.529 177.645 -0.116 RESID 189 (V): CA 65.562 65.562 67.118 -1.556 RESID 189 (V): CB 31.407 31.407 31.244 0.163 RESID 189 (V): H 7.776 7.776 7.788 -0.012 RESID 190 (N): N 118.736 118.736 119.212 -0.476 RESID 190 (N): C 176.476 176.476 177.504 -1.028 RESID 190 (N): CA 56.813 56.813 56.399 0.414 RESID 190 (N): CB 38.268 38.268 38.296 -0.028 RESID 190 (N): H 7.800 7.800 7.737 0.063 RESID 191 (C): N 120.152 120.152 118.790 1.362 RESID 191 (C): C 175.831 175.831 176.857 -1.026 RESID 191 (C): CA 60.293 60.293 63.901 -3.608 RESID 191 (C): CB 41.566 41.566 27.538 14.028 RESID 191 (C): H 7.784 7.784 8.083 -0.299 RESID 192 (A): N 121.963 121.963 121.992 -0.029 RESID 192 (A): C 178.395 178.395 179.524 -1.129 RESID 192 (A): CA 55.280 55.280 55.226 0.054 RESID 192 (A): CB 18.008 18.008 18.080 -0.072 RESID 192 (A): H 8.141 8.141 8.845 -0.704 RESID 193 (E): N 114.548 114.548 119.257 -4.709 RESID 193 (E): C 176.764 176.764 178.891 -2.127 RESID 193 (E): CA 58.262 58.262 59.455 -1.193 RESID 193 (E): CB 29.342 29.342 29.506 -0.164 RESID 193 (E): H 7.595 7.595 8.412 -0.817 RESID 194 (L): N 117.659 117.659 121.072 -3.413 RESID 194 (L): C 176.904 176.904 178.594 -1.690 RESID 194 (L): CA 55.695 55.695 58.269 -2.574 RESID 194 (L): CB 41.655 41.655 41.915 -0.260 RESID 194 (L): H 7.459 7.459 8.125 -0.666 RESID 195 (V): N 117.842 117.842 118.545 -0.703 RESID 195 (V): C 177.150 177.150 178.027 -0.877 RESID 195 (V): CA 64.054 64.054 66.771 -2.717 RESID 195 (V): CB 31.079 31.079 31.387 -0.308 RESID 195 (V): H 7.363 7.363 7.464 -0.101 RESID 196 (T): N 122.439 122.439 117.064 5.375 RESID 196 (T): C 175.055 175.055 176.660 -1.605 RESID 196 (T): CA 65.500 65.500 66.764 -1.264 RESID 196 (T): CB 69.490 69.490 68.787 0.703 RESID 196 (T): H 7.940 7.940 7.770 0.170 RESID 197 (Y): N 122.430 122.430 121.768 0.662 RESID 197 (Y): C 177.152 177.152 177.177 -0.025 RESID 197 (Y): CA 61.892 61.892 61.457 0.435 RESID 197 (Y): CB 38.085 38.085 38.375 -0.290 RESID 197 (Y): H 9.123 9.123 8.843 0.280 RESID 198 (D): N 117.750 117.750 119.006 -1.256 RESID 198 (D): C 177.696 177.696 178.375 -0.679 RESID 198 (D): CA 57.822 57.822 57.672 0.150 RESID 198 (D): CB 40.500 40.500 40.683 -0.183 RESID 198 (D): H 8.263 8.263 7.905 0.358 RESID 199 (L): N 120.698 120.698 119.063 1.635 RESID 199 (L): C 180.104 180.104 179.085 1.019 RESID 199 (L): CA 58.092 58.092 58.257 -0.165 RESID 199 (L): CB 42.559 42.559 41.841 0.718 RESID 199 (L): H 7.636 7.636 7.492 0.144 RESID 200 (I): N 121.136 121.136 118.971 2.165 RESID 200 (I): C 176.919 176.919 177.429 -0.510 RESID 200 (I): CA 65.482 65.482 64.572 0.910 RESID 200 (I): CB 37.949 37.949 37.532 0.417 RESID 200 (I): H 7.718 7.718 7.341 0.377 RESID 201 (K): N 120.587 120.587 118.145 2.442 RESID 201 (K): C 177.696 177.696 178.655 -0.959 RESID 201 (K): CA 60.683 60.683 59.287 1.396 RESID 201 (K): CB 31.809 31.809 32.439 -0.630 RESID 201 (K): H 8.291 8.291 7.850 0.441 RESID 202 (D): N 117.936 117.936 116.473 1.463 RESID 202 (D): C 178.395 178.395 177.334 1.061 RESID 202 (D): CA 57.672 57.672 56.066 1.606 RESID 202 (D): CB 41.355 41.355 41.185 0.170 RESID 202 (D): H 8.182 8.182 7.895 0.287 RESID 203 (T): N 115.914 115.914 116.394 -0.480 RESID 203 (T): CA 61.190 61.190 62.272 -1.082 RESID 203 (T): CB 68.738 68.738 70.166 -1.428 RESID 203 (T): H 7.690 7.690 7.927 -0.237 RESID 204 (L): C 176.047 176.047 175.432 0.615 RESID 204 (L): H 8.051 8.051 8.790 -0.739 RESID 205 (L): N 118.768 118.768 118.270 0.498 RESID 205 (L): C 179.871 179.871 175.486 4.385 RESID 205 (L): CA 55.867 55.867 54.156 1.711 RESID 205 (L): CB 41.887 41.887 42.459 -0.572 RESID 205 (L): H 7.977 7.977 7.623 0.354 RESID 206 (K): N 119.775 119.775 121.178 -1.403 RESID 206 (K): C 177.318 177.318 177.081 0.237 RESID 206 (K): CA 58.461 58.461 56.838 1.623 RESID 206 (K): CB 32.734 32.734 33.261 -0.527 RESID 206 (K): H 7.677 7.677 8.521 -0.844 RESID 207 (A): N 120.757 120.757 119.916 0.841 RESID 207 (A): C 176.531 176.531 176.006 0.525 RESID 207 (A): CA 53.083 53.083 52.230 0.853 RESID 207 (A): CB 18.960 18.960 18.785 0.175 RESID 207 (A): H 7.565 7.565 7.757 -0.192 RESID 208 (N): N 115.463 115.463 115.607 -0.144 RESID 208 (N): C 174.822 174.822 173.430 1.392 RESID 208 (N): CA 54.351 54.351 53.033 1.318 RESID 208 (N): CB 38.160 38.160 37.751 0.409 RESID 208 (N): H 7.936 7.936 8.062 -0.126 RESID 212 (D): C 174.735 174.735 176.169 -1.434 RESID 213 (D): N 116.363 116.363 117.923 -1.560 RESID 213 (D): C 175.553 175.553 176.590 -1.037 RESID 213 (D): CA 54.890 54.890 54.700 0.190 RESID 213 (D): CB 38.846 38.846 38.993 -0.147 RESID 213 (D): H 8.129 8.129 8.552 -0.423 RESID 214 (L): N 119.486 119.486 120.911 -1.425 RESID 214 (L): CA 59.766 59.766 59.394 0.372 RESID 214 (L): CB 39.579 39.579 41.028 -1.449 RESID 214 (L): H 7.821 7.821 8.274 -0.453 RESID 215 (P): C 177.971 177.971 178.707 -0.736 RESID 215 (P): CA 65.938 65.938 65.896 0.042 RESID 215 (P): CB 30.006 30.006 31.009 -1.003 RESID 216 (C): N 114.211 114.211 115.700 -1.489 RESID 216 (C): C 176.142 176.142 176.953 -0.811 RESID 216 (C): CA 58.773 58.773 63.431 -4.658 RESID 216 (C): CB 40.906 40.906 27.135 13.771 RESID 216 (C): H 8.269 8.269 8.280 -0.011 RESID 217 (H): N 120.491 120.491 120.512 -0.021 RESID 217 (H): C 176.747 176.747 177.187 -0.440 RESID 217 (H): CA 57.198 57.198 58.995 -1.796 RESID 217 (H): CB 29.886 29.886 29.828 0.058 RESID 217 (H): H 7.301 7.301 7.522 -0.221 RESID 218 (F): N 120.501 120.501 117.855 2.646 RESID 218 (F): C 176.187 176.187 177.798 -1.611 RESID 218 (F): CA 59.045 59.045 61.501 -2.456 RESID 218 (F): CB 38.901 38.901 38.510 0.392 RESID 218 (F): H 8.127 8.127 7.723 0.404 RESID 219 (T): N 112.682 112.682 114.204 -1.522 RESID 219 (T): C 175.997 175.997 176.830 -0.833 RESID 219 (T): CA 64.319 64.319 66.349 -2.030 RESID 219 (T): CB 63.282 63.282 68.557 -5.275 RESID 219 (T): H 7.977 7.977 7.910 0.067 RESID 220 (S): N 117.589 117.589 116.806 0.783 RESID 220 (S): C 175.055 175.055 176.443 -1.388 RESID 220 (S): CA 61.344 61.344 61.445 -0.101 RESID 220 (S): CB 63.440 63.440 62.837 0.603 RESID 220 (S): H 8.004 8.004 7.828 0.176 RESID 221 (A): N 123.860 123.860 124.346 -0.486 RESID 221 (A): C 177.618 177.618 179.449 -1.831 RESID 221 (A): CA 53.932 53.932 54.623 -0.691 RESID 221 (A): CB 18.891 18.891 18.316 0.575 RESID 221 (A): H 7.704 7.704 7.309 0.395 RESID 222 (F): N 116.073 116.073 120.035 -3.962 RESID 222 (F): C 176.142 176.142 177.782 -1.640 RESID 222 (F): CA 58.271 58.271 60.847 -2.576 RESID 222 (F): CB 39.554 39.554 39.046 0.508 RESID 222 (F): H 7.718 7.718 8.074 -0.356 RESID 223 (G): N 108.578 108.578 106.549 2.029 RESID 223 (G): C 173.889 173.889 175.503 -1.614 RESID 223 (G): CA 45.993 45.993 47.050 -1.057 RESID 223 (G): H 7.909 7.909 8.175 -0.266 RESID 224 (A): N 123.322 123.322 124.633 -1.311 RESID 224 (A): C 178.550 178.550 179.759 -1.209 RESID 224 (A): CA 53.608 53.608 54.819 -1.211 RESID 224 (A): CB 19.069 19.069 18.282 0.787 RESID 224 (A): H 8.018 8.018 8.007 0.011 RESID 225 (G): N 107.935 107.935 107.586 0.349 RESID 225 (G): C 175.389 175.389 175.655 -0.266 RESID 225 (G): CA 46.967 46.967 46.839 0.128 RESID 225 (G): H 8.304 8.304 8.646 -0.342 RESID 226 (F): N 122.440 122.440 122.876 -0.436 RESID 226 (F): C 176.998 176.998 177.070 -0.072 RESID 226 (F): CA 60.673 60.673 60.459 0.214 RESID 226 (F): CB 38.319 38.319 39.353 -1.034 RESID 226 (F): H 8.045 8.045 8.020 0.025 RESID 227 (C): N 116.562 116.562 117.619 -1.057 RESID 227 (C): CA 61.301 61.301 62.829 -1.528 RESID 227 (C): CB 41.286 41.286 26.779 14.507 RESID 227 (C): H 8.016 8.016 8.058 -0.042 RESID 228 (T): C 176.437 176.437 176.253 0.184 RESID 228 (T): H 8.410 8.410 8.549 -0.139 RESID 229 (T): N 115.234 115.234 118.442 -3.208 RESID 229 (T): C 176.749 176.749 176.206 0.543 RESID 229 (T): CA 65.980 65.980 67.107 -1.127 RESID 229 (T): CB 67.443 67.443 68.163 -0.720 RESID 229 (T): H 8.188 8.188 7.784 0.404 RESID 230 (V): N 120.723 120.723 120.504 0.219 RESID 230 (V): C 177.983 177.983 177.601 0.382 RESID 230 (V): CA 66.832 66.832 65.887 0.945 RESID 230 (V): CB 31.168 31.168 31.242 -0.074 RESID 230 (V): H 8.027 8.027 7.359 0.668 RESID 231 (I): N 120.541 120.541 116.260 4.281 RESID 231 (I): C 177.368 177.368 177.534 -0.166 RESID 231 (I): CA 65.575 65.575 64.210 1.365 RESID 231 (I): CB 37.722 37.722 37.101 0.621 RESID 231 (I): H 8.458 8.458 7.309 1.149 RESID 232 (A): N 122.766 122.766 122.243 0.523 RESID 232 (A): C 178.847 178.847 179.404 -0.557 RESID 232 (A): CA 55.252 55.252 54.819 0.433 RESID 232 (A): CB 17.874 17.874 18.253 -0.379 RESID 232 (A): H 8.589 8.589 7.872 0.717 RESID 233 (S): N 113.387 113.387 114.100 -0.713 RESID 233 (S): CA 62.348 62.348 62.836 -0.488 RESID 233 (S): CB 61.630 61.630 61.839 -0.209 RESID 233 (S): H 8.218 8.218 8.372 -0.154 RESID 234 (P): C 178.221 178.221 178.565 -0.344 RESID 235 (V): N 116.087 116.087 114.779 1.308 RESID 235 (V): C 177.089 177.089 177.644 -0.555 RESID 235 (V): CA 65.072 65.072 65.577 -0.505 RESID 235 (V): CB 31.084 31.084 30.902 0.182 RESID 235 (V): H 8.142 8.142 7.328 0.814 RESID 236 (D): N 121.556 121.556 120.532 1.024 RESID 236 (D): C 177.422 177.422 178.524 -1.102 RESID 236 (D): CA 57.135 57.135 57.298 -0.163 RESID 236 (D): CB 40.065 40.065 41.103 -1.038 RESID 236 (D): H 7.932 7.932 7.476 0.456 RESID 237 (V): N 117.233 117.233 117.264 -0.031 RESID 237 (V): CA 64.977 64.977 65.538 -0.561 RESID 237 (V): CB 31.013 31.013 31.571 -0.558 RESID 237 (V): H 7.710 7.710 7.649 0.061 RESID 238 (V): C 177.584 177.584 177.647 -0.063 RESID 238 (V): H 7.607 7.607 7.403 0.204 RESID 239 (K): N 120.095 120.095 118.434 1.661 RESID 239 (K): C 178.678 178.678 178.701 -0.023 RESID 239 (K): CA 58.483 58.483 58.424 0.059 RESID 239 (K): CB 31.863 31.863 32.193 -0.330 RESID 239 (K): H 7.761 7.761 7.376 0.385 RESID 240 (T): N 115.247 115.247 112.503 2.744 RESID 240 (T): C 175.093 175.093 175.820 -0.727 RESID 240 (T): CA 66.458 66.458 64.024 2.434 RESID 240 (T): CB 68.011 68.011 69.074 -1.063 RESID 240 (T): H 7.761 7.761 7.667 0.094 RESID 241 (R): N 119.633 119.633 122.504 -2.871 RESID 241 (R): CA 57.133 57.133 57.824 -0.691 RESID 241 (R): CB 31.218 31.218 30.659 0.559 RESID 241 (R): H 7.383 7.383 7.695 -0.312 RESID 242 (Y): C 174.956 174.956 173.268 1.688 RESID 242 (Y): H 8.699 8.699 8.307 0.392 RESID 243 (M): N 118.458 118.458 124.776 -6.318 RESID 243 (M): C 175.676 175.676 173.842 1.834 RESID 243 (M): CA 54.417 54.417 54.574 -0.157 RESID 243 (M): H 7.442 7.442 7.646 -0.204 RESID 244 (N): N 116.369 116.369 119.997 -3.628 RESID 244 (N): C 174.919 174.919 174.693 0.226 RESID 244 (N): CA 59.470 59.470 53.090 6.380 RESID 244 (N): CB 39.079 39.079 38.819 0.259 RESID 244 (N): H 7.772 7.772 8.461 -0.689 RESID 245 (S): N 114.568 114.568 116.541 -1.973 RESID 245 (S): C 175.695 175.695 172.996 2.699 RESID 245 (S): CA 53.852 53.852 59.471 -5.619 RESID 245 (S): CB 61.232 61.232 62.325 -1.093 RESID 245 (S): H 8.475 8.475 8.538 -0.063 RESID 246 (A): N 127.283 127.283 123.454 3.829 RESID 246 (A): C 177.128 177.128 176.432 0.696 RESID 246 (A): CA 56.803 56.803 51.956 4.847 RESID 246 (A): CB 18.901 18.901 19.392 -0.491 RESID 246 (A): H 7.929 7.929 8.247 -0.318 RESID 247 (L): N 118.112 118.112 121.190 -3.078 RESID 247 (L): C 176.723 176.723 176.711 0.012 RESID 247 (L): CA 54.156 54.156 55.646 -1.490 RESID 247 (L): CB 41.215 41.215 42.252 -1.037 RESID 247 (L): H 7.922 7.922 7.981 -0.059 RESID 248 (G): N 107.203 107.203 109.457 -2.254 RESID 248 (G): CA 44.558 44.558 44.486 0.072 RESID 248 (G): H 8.318 8.318 8.167 0.151 RESID 250 (Y): C 175.942 175.942 175.334 0.608 RESID 250 (Y): H 8.134 8.134 8.669 -0.535 RESID 251 (H): N 123.281 123.281 117.352 5.929 RESID 251 (H): C 174.531 174.531 174.506 0.025 RESID 251 (H): CA 58.931 58.931 58.154 0.777 RESID 251 (H): CB 29.525 29.525 30.537 -1.012 RESID 251 (H): H 8.184 8.184 8.320 -0.136 RESID 252 (S): N 110.038 110.038 109.579 0.459 RESID 252 (S): C 174.429 174.429 174.089 0.340 RESID 252 (S): CA 57.452 57.452 56.915 0.537 RESID 252 (S): CB 65.022 65.022 64.853 0.169 RESID 252 (S): H 8.010 8.010 7.963 0.047 RESID 253 (A): N 123.034 123.034 123.123 -0.089 RESID 253 (A): C 179.249 179.249 179.699 -0.450 RESID 253 (A): CA 54.981 54.981 54.586 0.395 RESID 253 (A): CB 19.069 19.069 18.709 0.360 RESID 253 (A): H 8.034 8.034 8.620 -0.586 RESID 254 (G): N 106.379 106.379 106.292 0.087 RESID 254 (G): C 174.433 174.433 175.530 -1.097 RESID 254 (G): CA 47.615 47.615 46.861 0.754 RESID 254 (G): H 8.427 8.427 8.491 -0.064 RESID 255 (H): N 121.119 121.119 121.588 -0.469 RESID 255 (H): C 178.084 178.084 176.925 1.159 RESID 255 (H): CA 60.144 60.144 59.399 0.745 RESID 255 (H): CB 33.073 33.073 29.985 3.088 RESID 255 (H): H 8.304 8.304 7.797 0.507 RESID 256 (C): N 117.946 117.946 118.744 -0.798 RESID 256 (C): C 175.453 175.453 176.749 -1.296 RESID 256 (C): CA 58.668 58.668 61.978 -3.310 RESID 256 (C): CB 41.434 41.434 26.214 15.220 RESID 256 (C): H 8.168 8.168 7.875 0.293 RESID 257 (A): N 123.138 123.138 122.468 0.670 RESID 257 (A): C 179.489 179.489 179.919 -0.430 RESID 257 (A): CA 54.589 54.589 55.261 -0.672 RESID 257 (A): CB 17.675 17.675 18.100 -0.425 RESID 257 (A): H 7.932 7.932 7.461 0.471 RESID 258 (L): N 119.779 119.779 118.600 1.179 RESID 258 (L): C 178.234 178.234 178.983 -0.749 RESID 258 (L): CA 56.967 56.967 57.561 -0.594 RESID 258 (L): CB 41.067 41.067 41.089 -0.022 RESID 258 (L): H 7.681 7.681 7.721 -0.040 RESID 259 (T): N 114.552 114.552 113.601 0.951 RESID 259 (T): C 176.244 176.244 176.751 -0.507 RESID 259 (T): CA 66.511 66.511 66.120 0.391 RESID 259 (T): CB 67.274 67.274 68.767 -1.493 RESID 259 (T): H 7.855 7.855 8.018 -0.163 RESID 260 (M): N 118.862 118.862 119.975 -1.113 RESID 260 (M): C 177.094 177.094 177.576 -0.482 RESID 260 (M): CA 58.532 58.532 58.130 0.402 RESID 260 (M): CB 32.288 32.288 31.764 0.524 RESID 260 (M): H 8.296 8.296 8.345 -0.049 RESID 261 (L): N 116.839 116.839 118.714 -1.875 RESID 261 (L): C 178.162 178.162 179.159 -0.997 RESID 261 (L): CA 58.167 58.167 57.709 0.458 RESID 261 (L): CB 42.202 42.202 42.015 0.187 RESID 261 (L): H 8.053 8.053 7.559 0.494 RESID 262 (R): N 116.821 116.821 117.992 -1.171 RESID 262 (R): CA 58.761 58.761 58.290 0.471 RESID 262 (R): CB 30.825 30.825 30.323 0.503 RESID 262 (R): H 7.827 7.827 7.543 0.284 RESID 266 (P): C 177.152 177.152 178.462 -1.310 RESID 266 (P): CA 65.152 65.152 64.558 0.593 RESID 267 (R): N 117.739 117.739 119.182 -1.443 RESID 267 (R): C 177.463 177.463 177.772 -0.309 RESID 267 (R): CA 59.335 59.335 58.647 0.688 RESID 267 (R): CB 30.185 30.185 29.595 0.590 RESID 267 (R): H 8.072 8.072 8.472 -0.400 RESID 268 (A): N 121.709 121.709 121.858 -0.149 RESID 268 (A): C 179.251 179.251 180.061 -0.810 RESID 268 (A): CA 54.631 54.631 54.667 -0.036 RESID 268 (A): CB 18.683 18.683 17.972 0.711 RESID 268 (A): H 7.963 7.963 7.603 0.360 RESID 269 (F): N 117.096 117.096 117.558 -0.462 RESID 269 (F): C 175.987 175.987 177.231 -1.244 RESID 269 (F): CA 61.037 61.037 61.457 -0.420 RESID 269 (F): CB 38.637 38.637 38.567 0.070 RESID 269 (F): H 7.832 7.832 7.427 0.405 RESID 270 (Y): N 118.496 118.496 118.752 -0.256 RESID 270 (Y): C 176.250 176.250 176.254 -0.004 RESID 270 (Y): CA 60.116 60.116 60.120 -0.003 RESID 270 (Y): CB 38.882 38.882 39.294 -0.412 RESID 270 (Y): H 7.813 7.813 7.585 0.228 RESID 271 (K): N 119.458 119.458 119.778 -0.320 RESID 271 (K): C 177.696 177.696 176.982 0.714 RESID 271 (K): CA 57.192 57.192 56.127 1.065 RESID 271 (K): CB 32.734 32.734 33.220 -0.486 RESID 271 (K): H 7.864 7.864 7.874 -0.010 RESID 272 (G): N 106.217 106.217 107.608 -1.391 RESID 272 (G): C 173.967 173.967 173.962 0.005 RESID 272 (G): CA 46.117 46.117 45.977 0.140 RESID 272 (G): H 7.622 7.622 8.616 -0.994 RESID 273 (F): N 118.847 118.847 117.211 1.636 RESID 273 (F): C 175.055 175.055 174.793 0.262 RESID 273 (F): CA 57.721 57.721 57.252 0.469 RESID 273 (F): CB 40.183 40.183 38.676 1.507 RESID 273 (F): H 7.677 7.677 7.691 -0.014 RESID 277 (F): C 176.602 176.602 176.889 -0.287 RESID 277 (F): CA 61.838 61.838 61.346 0.492 RESID 277 (F): CB 39.537 39.537 39.348 0.189 RESID 277 (F): H 7.695 7.695 8.480 -0.785 RESID 278 (L): N 118.465 118.465 119.983 -1.518 RESID 278 (L): C 177.152 177.152 178.542 -1.390 RESID 278 (L): CA 56.115 56.115 58.214 -2.099 RESID 278 (L): CB 42.398 42.398 41.882 0.516 RESID 278 (L): H 8.104 8.104 7.773 0.331 RESID 279 (R): N 118.749 118.749 118.827 -0.078 RESID 279 (R): C 176.608 176.608 179.045 -2.437 RESID 279 (R): CA 56.938 56.938 58.641 -1.703 RESID 279 (R): CB 30.659 30.659 29.620 1.039 RESID 279 (R): H 7.472 7.472 7.833 -0.361 RESID 280 (L): N 120.305 120.305 120.696 -0.391 RESID 280 (L): C 177.540 177.540 178.660 -1.120 RESID 280 (L): CA 57.094 57.094 57.997 -0.903 RESID 280 (L): CB 42.027 42.027 41.388 0.639 RESID 280 (L): H 7.690 7.690 8.407 -0.717 RESID 281 (G): N 106.837 106.837 105.752 1.085 RESID 281 (G): C 174.045 174.045 175.882 -1.837 RESID 281 (G): CA 46.967 46.967 47.365 -0.398 RESID 281 (G): H 7.881 7.881 7.714 0.167 RESID 282 (S): N 115.531 115.531 118.232 -2.701 RESID 282 (S): C 174.123 174.123 176.471 -2.348 RESID 282 (S): CA 58.796 58.796 61.285 -2.489 RESID 282 (S): CB 58.975 58.975 63.047 -4.072 RESID 282 (S): H 7.813 7.813 7.568 0.245 RESID 283 (W): N 122.851 122.851 123.738 -0.887 RESID 283 (W): C 176.142 176.142 177.599 -1.457 RESID 283 (W): CA 59.221 59.221 61.584 -2.363 RESID 283 (W): CB 30.446 30.446 29.535 0.911 RESID 283 (W): H 8.186 8.186 8.514 -0.328 RESID 284 (N): N 118.459 118.459 117.309 1.150 RESID 284 (N): CA 55.325 55.325 56.009 -0.684 RESID 284 (N): CB 39.504 39.504 37.845 1.659 RESID 284 (N): H 8.127 8.127 7.960 0.167 RESID 285 (V): C 177.263 177.263 177.354 -0.091 RESID 285 (V): H 7.854 7.854 7.300 0.554 RESID 286 (V): N 119.883 119.883 117.409 2.474 RESID 286 (V): C 177.072 177.072 177.184 -0.112 RESID 286 (V): CA 64.717 64.717 66.240 -1.522 RESID 286 (V): CB 29.553 29.553 31.493 -1.940 RESID 286 (V): H 7.483 7.483 7.149 0.334 RESID 287 (M): N 120.401 120.401 118.421 1.980 RESID 287 (M): C 177.594 177.594 178.774 -1.180 RESID 287 (M): CA 57.654 57.654 57.626 0.028 RESID 287 (M): CB 31.592 31.592 31.189 0.403 RESID 287 (M): H 8.118 8.118 7.154 0.964 RESID 288 (F): N 122.234 122.234 120.636 1.598 RESID 288 (F): C 176.498 176.498 177.737 -1.239 RESID 288 (F): CA 61.766 61.766 62.129 -0.363 RESID 288 (F): CB 39.031 39.031 39.137 -0.106 RESID 288 (F): H 7.878 7.878 7.752 0.126 RESID 289 (V): N 118.907 118.907 119.321 -0.414 RESID 289 (V): CA 64.566 64.566 66.440 -1.874 RESID 289 (V): CB 30.544 30.544 31.658 -1.114 RESID 289 (V): H 7.913 7.913 7.650 0.263 RESID 290 (T): C 175.376 175.376 176.557 -1.181 RESID 290 (T): H 8.095 8.095 7.509 0.586 RESID 291 (Y): N 118.029 118.029 120.730 -2.701 RESID 291 (Y): C 176.919 176.919 177.441 -0.522 RESID 291 (Y): CA 61.717 61.717 61.547 0.170 RESID 291 (Y): CB 38.020 38.020 37.777 0.243 RESID 291 (Y): H 7.986 7.986 7.573 0.413 RESID 292 (E): N 118.005 118.005 119.427 -1.422 RESID 292 (E): C 176.686 176.686 178.884 -2.198 RESID 292 (E): CA 60.084 60.084 59.835 0.249 RESID 292 (E): CB 29.443 29.443 29.182 0.261 RESID 292 (E): H 8.359 8.359 8.157 0.202 RESID 293 (Q): N 118.746 118.746 118.005 0.741 RESID 293 (Q): C 176.210 176.210 178.267 -2.057 RESID 293 (Q): CA 58.986 58.986 58.465 0.521 RESID 293 (Q): CB 28.784 28.784 28.704 0.080 RESID 293 (Q): H 7.704 7.704 7.529 0.175 RESID 294 (L): N 120.970 120.970 118.176 2.794 RESID 294 (L): C 178.084 178.084 178.278 -0.194 RESID 294 (L): CA 58.741 58.741 57.256 1.485 RESID 294 (L): CB 41.451 41.451 41.664 -0.213 RESID 294 (L): H 7.995 7.995 7.462 0.533 RESID 295 (K): N 117.756 117.756 116.862 0.894 RESID 295 (K): CA 59.048 59.048 58.393 0.655 RESID 295 (K): CB 31.871 31.871 32.981 -1.111 RESID 295 (K): H 7.731 7.731 7.893 -0.162 RESID 296 (R): H 7.895 7.895 7.995 -0.100 RESID 297 (A): C 176.488 176.488 176.925 -0.437 RESID 297 (A): H 8.223 8.223 8.367 -0.144 RESID 298 (L): N 117.376 117.376 120.152 -2.776 RESID 298 (L): C 178.628 178.628 176.439 2.189 RESID 298 (L): CA 58.217 58.217 55.706 2.511 RESID 298 (L): CB 41.905 41.905 42.487 -0.582 RESID 298 (L): H 7.947 7.947 8.210 -0.263 RESID 299 (M): N 127.376 127.376 119.480 7.896 RESID 299 (M): C 178.472 178.472 174.396 4.076 RESID 299 (M): CA 58.461 58.461 55.830 2.631 RESID 299 (M): CB 32.110 32.110 32.782 -0.672 RESID 299 (M): H 8.182 8.182 8.374 -0.192 RESID 300 (A): N 121.854 121.854 124.207 -2.353 RESID 300 (A): C 180.197 180.197 175.853 4.344 RESID 300 (A): CA 55.617 55.617 52.784 2.833 RESID 300 (A): CB 18.215 18.215 19.867 -1.653 RESID 300 (A): H 7.841 7.841 8.097 -0.256 RESID 301 (A): N 121.224 121.224 127.105 -5.881 RESID 301 (A): C 178.939 178.939 178.110 0.829 RESID 301 (A): CA 55.186 55.186 54.460 0.726 RESID 301 (A): CB 18.735 18.735 18.960 -0.225 RESID 301 (A): H 7.872 7.872 8.729 -0.857 RESID 302 (Y): N 118.183 118.183 119.688 -1.505 RESID 302 (Y): C 176.841 176.841 177.899 -1.058 RESID 302 (Y): CA 60.868 60.868 61.700 -0.832 RESID 302 (Y): CB 39.344 39.344 37.926 1.418 RESID 302 (Y): H 8.100 8.100 8.545 -0.445 RESID 303 (Q): N 117.243 117.243 117.476 -0.233 RESID 303 (Q): C 176.997 176.997 178.586 -1.589 RESID 303 (Q): CA 58.787 58.787 59.407 -0.620 RESID 303 (Q): CB 29.216 29.216 28.431 0.785 RESID 303 (Q): H 8.059 8.059 8.628 -0.569 RESID 304 (S): N 114.721 114.721 115.169 -0.448 RESID 304 (S): C 174.511 174.511 175.863 -1.352 RESID 304 (S): CA 59.720 59.720 61.358 -1.638 RESID 304 (S): CB 63.896 63.896 63.313 0.583 RESID 304 (S): H 7.718 7.718 7.773 -0.055 RESID 305 (R): N 121.401 121.401 119.715 1.686 RESID 305 (R): C 175.521 175.521 177.753 -2.232 RESID 305 (R): CA 59.639 59.639 58.595 1.044 RESID 305 (R): CB 30.568 30.568 30.314 0.254 RESID 305 (R): H 7.609 7.609 8.026 -0.417 RESID 306 (E): N 120.090 120.090 118.046 2.044 RESID 306 (E): C 177.648 177.648 178.762 -1.114 RESID 306 (E): CA 59.624 59.624 58.794 0.830 RESID 306 (E): CB 30.362 30.362 29.678 0.684 RESID 306 (E): H 7.909 7.909 7.636 0.273 RESID 307 (A): N 121.234 121.234 123.951 -2.717 RESID 307 (A): C 176.014 176.014 176.862 -0.848 RESID 307 (A): CA 56.844 56.844 55.055 1.789 RESID 307 (A): CB 17.735 17.735 17.159 0.576 RESID 307 (A): H 7.760 7.760 7.690 0.070 N HA C CA CB H RESID 16 (K): -0.049 ----- -1.718 0.108 0.342 -0.609 RESID 17 (F): -0.475 ----- -2.098 -0.691 0.822 -0.378 RESID 18 (L): -1.114 ----- -0.452 -1.311 1.157 -0.358 RESID 19 (G): 0.646 ----- -0.575 -1.613 ----- -0.135 RESID 20 (A): 0.391 ----- -0.001 0.137 0.893 0.334 RESID 21 (G): 1.092 ----- -0.456 -0.461 ----- 0.462 RESID 22 (T): 4.874 ----- -0.601 1.422 0.163 -0.420 RESID 23 (A): -1.508 ----- -0.411 0.603 0.031 0.799 RESID 24 (A): -0.988 ----- -0.220 0.011 0.162 -0.464 RESID 25 (C): 0.355 ----- -0.818 -5.655 14.145 0.267 RESID 26 (I): 1.136 ----- -0.457 0.103 0.891 0.301 RESID 27 (A): -1.634 ----- -0.067 0.497 -0.277 -0.056 RESID 28 (D): -1.798 ----- -0.785 -1.212 0.402 -0.035 RESID 29 (L): -1.093 ----- -0.330 -1.396 1.065 0.334 RESID 30 (I): -1.642 ----- -0.612 -2.392 0.539 0.352 RESID 31 (T): -0.540 ----- -1.157 -1.264 -0.225 0.445 RESID 32 (F): -0.292 ----- ----- -5.984 2.144 -1.246 RESID 33 (P): ----- ----- 0.288 -2.491 3.546 ----- RESID 34 (L): 6.182 ----- -1.715 -1.858 1.251 1.340 RESID 35 (D): 3.830 ----- -0.907 -2.813 0.531 0.701 RESID 36 (T): 1.991 ----- 1.285 -0.365 0.384 0.229 RESID 37 (A): 2.829 ----- 0.064 0.242 0.366 0.360 RESID 38 (K): 0.335 ----- 0.006 0.094 0.802 0.253 RESID 39 (V): 1.126 ----- -0.288 0.507 2.910 0.176 RESID 40 (R): 1.568 ----- -0.192 0.689 -0.283 0.380 RESID 41 (L): -1.517 ----- ----- -0.663 1.026 0.029 RESID 49 (G): ----- ----- 0.003 ----- ----- ----- RESID 50 (L): 1.013 ----- -0.004 -0.490 0.153 0.293 RESID 51 (V): -1.035 ----- 0.348 -0.358 -0.387 0.387 RESID 52 (R): 4.550 ----- ----- 0.935 -0.275 -0.096 RESID 53 (T): ----- ----- -0.175 ----- ----- 0.409 RESID 54 (A): -0.915 ----- -1.053 -0.942 -1.348 -0.014 RESID 55 (A): -3.676 ----- 1.532 1.256 -0.821 -0.911 RESID 56 (S): 10.542 ----- 0.259 2.075 -0.037 0.033 RESID 57 (A): -2.718 ----- ----- 1.158 -0.436 0.171 RESID 59 (Y): ----- ----- 0.695 ----- ----- ----- RESID 60 (R): 0.332 ----- 1.145 0.963 0.211 -0.286 RESID 61 (G): 0.909 ----- 0.758 1.357 ----- 0.021 RESID 62 (V): -2.310 ----- 0.321 1.704 0.076 -0.320 RESID 63 (L): 0.988 ----- -0.735 0.741 1.366 -0.209 RESID 64 (G): -0.041 ----- 0.243 0.688 ----- 0.398 RESID 65 (T): 1.267 ----- -0.074 0.782 0.268 0.438 RESID 66 (I): 1.912 ----- -0.210 3.157 1.528 0.562 RESID 67 (L): 1.239 ----- -0.174 0.389 0.067 0.791 RESID 68 (T): 0.236 ----- 0.340 0.719 0.756 0.706 RESID 69 (M): 2.155 ----- -0.499 0.475 0.329 0.361 RESID 70 (V): 4.907 ----- -1.036 2.086 0.098 0.366 RESID 71 (R): -0.683 ----- -0.680 0.359 0.626 0.255 RESID 72 (T): -3.361 ----- -0.387 -0.734 1.284 0.232 RESID 73 (E): 2.831 ----- 1.467 1.825 -0.352 0.102 RESID 74 (G): -0.437 ----- ----- 1.110 ----- 0.523 RESID 75 (P): ----- ----- -1.400 0.933 0.277 ----- RESID 76 (R): 1.676 ----- -0.289 1.472 0.598 -0.243 RESID 77 (S): 0.858 ----- 1.644 0.282 -0.100 -0.159 RESID 78 (L): 1.974 ----- 0.363 1.020 -0.270 -0.022 RESID 79 (Y): 6.522 ----- 0.626 2.992 0.081 0.297 RESID 80 (N): -1.445 ----- 2.737 -0.944 -0.748 0.803 RESID 81 (G): -5.210 ----- 0.264 0.642 ----- -0.569 RESID 82 (L): 1.958 ----- 0.500 0.803 0.353 0.568 RESID 83 (V): -0.226 ----- 0.827 -0.522 0.952 -0.267 RESID 84 (A): -0.374 ----- 0.847 0.397 -0.119 0.390 RESID 85 (G): -0.812 ----- -0.526 0.659 ----- 0.354 RESID 86 (L): 0.756 ----- -0.696 0.431 0.614 0.777 RESID 87 (Q): -0.041 ----- -0.468 -0.866 0.889 0.204 RESID 88 (R): -0.845 ----- -0.796 -1.717 0.864 0.173 RESID 89 (Q): -0.130 ----- -1.080 -1.344 0.892 0.307 RESID 90 (M): -0.211 ----- -2.030 -0.728 1.658 -0.422 RESID 91 (S): -0.471 ----- -1.245 -2.515 1.291 0.089 RESID 92 (F): -1.611 ----- 0.746 -2.106 0.049 0.728 RESID 93 (A): 3.074 ----- -0.391 0.357 -0.431 0.497 RESID 94 (S): -2.715 ----- -0.327 -0.740 0.243 0.220 RESID 95 (V): 2.901 ----- -0.586 -0.539 0.794 -0.703 RESID 96 (R): 2.134 ----- -0.222 1.003 1.351 0.675 RESID 97 (I): 1.058 ----- 0.991 1.115 0.043 0.260 RESID 98 (G): 1.879 ----- 1.034 0.722 ----- 0.386 RESID 99 (L): -0.038 ----- -0.084 1.494 1.025 -0.006 RESID 100 (Y): -0.418 ----- 0.294 0.318 1.018 0.294 RESID 101 (D): 0.091 ----- 0.573 1.313 0.452 0.209 RESID 102 (S): 1.085 ----- -0.208 1.321 0.839 0.359 RESID 103 (V): 0.251 ----- -0.060 1.762 0.149 0.302 RESID 104 (K): 0.621 ----- -0.040 0.219 -0.288 0.293 RESID 105 (Q): 1.149 ----- -0.021 1.117 -0.373 0.258 RESID 106 (F): 1.617 ----- 1.252 0.591 0.230 0.138 RESID 107 (Y): 4.435 ----- -0.206 1.695 -1.096 0.662 RESID 108 (T): 0.636 ----- 1.304 2.804 1.050 0.254 RESID 113 (H): ----- ----- -0.485 ----- ----- -0.864 RESID 114 (A): -2.811 ----- 1.947 1.385 0.450 0.105 RESID 115 (G): 3.919 ----- -0.147 0.756 ----- 0.155 RESID 116 (I): -0.368 ----- -0.916 -0.216 1.605 0.025 RESID 117 (G): 3.803 ----- -2.050 -0.512 ----- 0.097 RESID 118 (S): -1.793 ----- -1.198 -0.848 1.216 -0.013 RESID 119 (R): 1.284 ----- -0.684 -1.785 0.504 -0.262 RESID 120 (L): -0.279 ----- -1.873 -0.046 0.477 0.320 RESID 121 (L): -0.465 ----- -2.089 -2.559 0.964 -0.458 RESID 122 (A): 1.599 ----- -1.591 -2.163 1.249 -1.041 RESID 123 (G): 1.264 ----- 0.522 -1.136 ----- -0.757 RESID 124 (S): -0.661 ----- -1.292 -2.471 1.075 -0.449 RESID 125 (T): -2.332 ----- -0.633 0.177 1.027 -0.265 RESID 126 (T): -1.879 ----- 0.925 -0.944 0.070 -0.427 RESID 127 (G): 7.167 ----- -0.878 -0.817 ----- 0.090 RESID 128 (A): -0.642 ----- -1.441 -1.379 0.754 0.419 RESID 129 (L): 0.633 ----- -0.549 -1.424 0.554 0.445 RESID 130 (A): 2.371 ----- -1.421 -1.729 0.591 -0.194 RESID 131 (V): -0.577 ----- -1.298 -1.244 1.441 -0.342 RESID 132 (A): 2.347 ----- 0.121 -1.012 0.577 0.442 RESID 133 (V): -5.028 ----- -0.722 0.997 -0.795 -0.470 RESID 134 (A): 2.840 ----- ----- 3.834 ----- 0.086 RESID 136 (P): ----- ----- -1.458 ----- ----- ----- RESID 137 (T): 4.964 ----- -2.014 -1.619 1.796 -0.274 RESID 138 (D): 0.275 ----- 0.014 -0.153 0.219 0.363 RESID 139 (V): -0.133 ----- -0.685 0.013 0.850 -0.045 RESID 140 (V): 0.258 ----- -1.625 -0.013 0.771 0.095 RESID 141 (K): -0.461 ----- -3.194 -4.012 -0.528 -0.176 RESID 142 (V): 0.817 ----- ----- -3.124 ----- 0.224 RESID 143 (R): ----- ----- -0.323 ----- ----- 0.325 RESID 144 (F): 0.451 ----- 1.433 0.479 ----- -0.058 RESID 145 (Q): 6.117 ----- -2.400 -1.503 1.472 0.279 RESID 146 (A): 0.339 ----- 0.223 0.149 -0.586 0.573 RESID 147 (Q): 0.816 ----- 0.984 0.124 1.405 0.623 RESID 148 (A): -2.823 ----- 0.144 0.883 -0.141 -0.144 RESID 149 (R): -0.295 ----- ----- 0.468 0.216 -0.059 RESID 159 (T): ----- ----- -0.177 ----- ----- ----- RESID 160 (V): -2.623 ----- -0.092 -2.528 -0.105 -0.144 RESID 161 (E): 2.694 ----- -0.235 0.033 0.292 -0.452 RESID 162 (A): -0.664 ----- 0.629 0.026 -0.427 -0.914 RESID 163 (Y): -0.669 ----- -0.606 -0.647 -0.778 -0.193 RESID 164 (K): 1.363 ----- -0.884 0.531 -0.065 0.516 RESID 165 (T): -1.325 ----- -0.867 -0.277 0.864 -0.553 RESID 166 (I): 0.883 ----- -0.421 2.183 2.660 0.082 RESID 167 (A): -1.021 ----- -2.098 -0.099 0.282 0.334 RESID 168 (R): -2.063 ----- -1.058 -0.193 1.173 -0.210 RESID 169 (E): 0.374 ----- -0.808 -0.122 0.280 0.364 RESID 170 (E): 1.334 ----- 0.997 0.641 0.330 0.135 RESID 171 (G): 1.994 ----- -0.417 0.565 ----- 0.212 RESID 172 (I): 3.510 ----- -0.443 -0.045 0.734 0.220 RESID 173 (R): -1.911 ----- -0.467 0.032 0.924 -0.087 RESID 174 (G): -1.748 ----- -0.560 0.125 ----- -0.210 RESID 175 (L): -1.561 ----- -0.417 0.241 1.161 0.272 RESID 176 (W): -2.499 ----- -0.071 -1.687 0.384 -0.687 RESID 177 (K): 2.069 ----- -0.180 -2.149 1.062 0.021 RESID 178 (G): 6.003 ----- -1.391 0.712 ----- 0.071 RESID 179 (T): -2.809 ----- -1.034 -0.633 1.175 -0.336 RESID 180 (S): 2.588 ----- ----- 0.805 1.102 0.990 RESID 182 (N): ----- ----- -0.294 ----- ----- ----- RESID 183 (V): -1.509 ----- -0.478 -1.113 0.895 0.435 RESID 184 (A): 0.298 ----- -0.471 0.018 10.054 0.630 RESID 185 (R): -1.642 ----- -0.849 -0.146 -0.354 -0.179 RESID 186 (N): -0.452 ----- -0.966 0.729 1.543 0.351 RESID 187 (A): -2.083 ----- -0.853 0.441 -0.505 -0.241 RESID 188 (I): -0.049 ----- -1.177 -1.250 -0.301 -0.214 RESID 189 (V): -0.320 ----- -0.116 -1.556 0.163 -0.012 RESID 190 (N): -0.476 ----- -1.028 0.414 -0.028 0.063 RESID 191 (C): 1.362 ----- -1.026 -3.608 14.028 -0.299 RESID 192 (A): -0.029 ----- -1.129 0.054 -0.072 -0.704 RESID 193 (E): -4.709 ----- -2.127 -1.193 -0.164 -0.817 RESID 194 (L): -3.413 ----- -1.690 -2.574 -0.260 -0.666 RESID 195 (V): -0.703 ----- -0.877 -2.717 -0.308 -0.101 RESID 196 (T): 5.375 ----- -1.605 -1.264 0.703 0.170 RESID 197 (Y): 0.662 ----- -0.025 0.435 -0.290 0.280 RESID 198 (D): -1.256 ----- -0.679 0.150 -0.183 0.358 RESID 199 (L): 1.635 ----- 1.019 -0.165 0.718 0.144 RESID 200 (I): 2.165 ----- -0.510 0.910 0.417 0.377 RESID 201 (K): 2.442 ----- -0.959 1.396 -0.630 0.441 RESID 202 (D): 1.463 ----- 1.061 1.606 0.170 0.287 RESID 203 (T): -0.480 ----- ----- -1.082 -1.428 -0.237 RESID 204 (L): ----- ----- 0.615 ----- ----- -0.739 RESID 205 (L): 0.498 ----- 4.385 1.711 -0.572 0.354 RESID 206 (K): -1.403 ----- 0.237 1.623 -0.527 -0.844 RESID 207 (A): 0.841 ----- 0.525 0.853 0.175 -0.192 RESID 208 (N): -0.144 ----- 1.392 1.318 0.409 -0.126 RESID 212 (D): ----- ----- -1.434 ----- ----- ----- RESID 213 (D): -1.560 ----- -1.037 0.190 -0.147 -0.423 RESID 214 (L): -1.425 ----- ----- 0.372 -1.449 -0.453 RESID 215 (P): ----- ----- -0.736 0.042 -1.003 ----- RESID 216 (C): -1.489 ----- -0.811 -4.658 13.771 -0.011 RESID 217 (H): -0.021 ----- -0.440 -1.796 0.058 -0.221 RESID 218 (F): 2.646 ----- -1.611 -2.456 0.392 0.404 RESID 219 (T): -1.522 ----- -0.833 -2.030 -5.275 0.067 RESID 220 (S): 0.783 ----- -1.388 -0.101 0.603 0.176 RESID 221 (A): -0.486 ----- -1.831 -0.691 0.575 0.395 RESID 222 (F): -3.962 ----- -1.640 -2.576 0.508 -0.356 RESID 223 (G): 2.029 ----- -1.614 -1.057 ----- -0.266 RESID 224 (A): -1.311 ----- -1.209 -1.211 0.787 0.011 RESID 225 (G): 0.349 ----- -0.266 0.128 ----- -0.342 RESID 226 (F): -0.436 ----- -0.072 0.214 -1.034 0.025 RESID 227 (C): -1.057 ----- ----- -1.528 14.507 -0.042 RESID 228 (T): ----- ----- 0.184 ----- ----- -0.139 RESID 229 (T): -3.208 ----- 0.543 -1.127 -0.720 0.404 RESID 230 (V): 0.219 ----- 0.382 0.945 -0.074 0.668 RESID 231 (I): 4.281 ----- -0.166 1.365 0.621 1.149 RESID 232 (A): 0.523 ----- -0.557 0.433 -0.379 0.717 RESID 233 (S): -0.713 ----- ----- -0.488 -0.209 -0.154 RESID 234 (P): ----- ----- -0.344 ----- ----- ----- RESID 235 (V): 1.308 ----- -0.555 -0.505 0.182 0.814 RESID 236 (D): 1.024 ----- -1.102 -0.163 -1.038 0.456 RESID 237 (V): -0.031 ----- ----- -0.561 -0.558 0.061 RESID 238 (V): ----- ----- -0.063 ----- ----- 0.204 RESID 239 (K): 1.661 ----- -0.023 0.059 -0.330 0.385 RESID 240 (T): 2.744 ----- -0.727 2.434 -1.063 0.094 RESID 241 (R): -2.871 ----- ----- -0.691 0.559 -0.312 RESID 242 (Y): ----- ----- 1.688 ----- ----- 0.392 RESID 243 (M): -6.318 ----- 1.834 -0.157 ----- -0.204 RESID 244 (N): -3.628 ----- 0.226 6.380 0.259 -0.689 RESID 245 (S): -1.973 ----- 2.699 -5.619 -1.093 -0.063 RESID 246 (A): 3.829 ----- 0.696 4.847 -0.491 -0.318 RESID 247 (L): -3.078 ----- 0.012 -1.490 -1.037 -0.059 RESID 248 (G): -2.254 ----- ----- 0.072 ----- 0.151 RESID 250 (Y): ----- ----- 0.608 ----- ----- -0.535 RESID 251 (H): 5.929 ----- 0.025 0.777 -1.012 -0.136 RESID 252 (S): 0.459 ----- 0.340 0.537 0.169 0.047 RESID 253 (A): -0.089 ----- -0.450 0.395 0.360 -0.586 RESID 254 (G): 0.087 ----- -1.097 0.754 ----- -0.064 RESID 255 (H): -0.469 ----- 1.159 0.745 3.088 0.507 RESID 256 (C): -0.798 ----- -1.296 -3.310 15.220 0.293 RESID 257 (A): 0.670 ----- -0.430 -0.672 -0.425 0.471 RESID 258 (L): 1.179 ----- -0.749 -0.594 -0.022 -0.040 RESID 259 (T): 0.951 ----- -0.507 0.391 -1.493 -0.163 RESID 260 (M): -1.113 ----- -0.482 0.402 0.524 -0.049 RESID 261 (L): -1.875 ----- -0.997 0.458 0.187 0.494 RESID 262 (R): -1.171 ----- ----- 0.471 0.503 0.284 RESID 266 (P): ----- ----- -1.310 0.593 ----- ----- RESID 267 (R): -1.443 ----- -0.309 0.688 0.590 -0.400 RESID 268 (A): -0.149 ----- -0.810 -0.036 0.711 0.360 RESID 269 (F): -0.462 ----- -1.244 -0.420 0.070 0.405 RESID 270 (Y): -0.256 ----- -0.004 -0.003 -0.412 0.228 RESID 271 (K): -0.320 ----- 0.714 1.065 -0.486 -0.010 RESID 272 (G): -1.391 ----- 0.005 0.140 ----- -0.994 RESID 273 (F): 1.636 ----- 0.262 0.469 1.507 -0.014 RESID 277 (F): ----- ----- -0.287 0.492 0.189 -0.785 RESID 278 (L): -1.518 ----- -1.390 -2.099 0.516 0.331 RESID 279 (R): -0.078 ----- -2.437 -1.703 1.039 -0.361 RESID 280 (L): -0.391 ----- -1.120 -0.903 0.639 -0.717 RESID 281 (G): 1.085 ----- -1.837 -0.398 ----- 0.167 RESID 282 (S): -2.701 ----- -2.348 -2.489 -4.072 0.245 RESID 283 (W): -0.887 ----- -1.457 -2.363 0.911 -0.328 RESID 284 (N): 1.150 ----- ----- -0.684 1.659 0.167 RESID 285 (V): ----- ----- -0.091 ----- ----- 0.554 RESID 286 (V): 2.474 ----- -0.112 -1.522 -1.940 0.334 RESID 287 (M): 1.980 ----- -1.180 0.028 0.403 0.964 RESID 288 (F): 1.598 ----- -1.239 -0.363 -0.106 0.126 RESID 289 (V): -0.414 ----- ----- -1.874 -1.114 0.263 RESID 290 (T): ----- ----- -1.181 ----- ----- 0.586 RESID 291 (Y): -2.701 ----- -0.522 0.170 0.243 0.413 RESID 292 (E): -1.422 ----- -2.198 0.249 0.261 0.202 RESID 293 (Q): 0.741 ----- -2.057 0.521 0.080 0.175 RESID 294 (L): 2.794 ----- -0.194 1.485 -0.213 0.533 RESID 295 (K): 0.894 ----- ----- 0.655 -1.111 -0.162 RESID 296 (R): ----- ----- ----- ----- ----- -0.100 RESID 297 (A): ----- ----- -0.437 ----- ----- -0.144 RESID 298 (L): -2.776 ----- 2.189 2.511 -0.582 -0.263 RESID 299 (M): 7.896 ----- 4.076 2.631 -0.672 -0.192 RESID 300 (A): -2.353 ----- 4.344 2.833 -1.653 -0.256 RESID 301 (A): -5.881 ----- 0.829 0.726 -0.225 -0.857 RESID 302 (Y): -1.505 ----- -1.058 -0.832 1.418 -0.445 RESID 303 (Q): -0.233 ----- -1.589 -0.620 0.785 -0.569 RESID 304 (S): -0.448 ----- -1.352 -1.638 0.583 -0.055 RESID 305 (R): 1.686 ----- -2.232 1.044 0.254 -0.417 RESID 306 (E): 2.044 ----- -1.114 0.830 0.684 0.273 RESID 307 (A): -2.717 ----- -0.848 1.789 0.576 0.070 DATA CS_STAT_INFO N RMS: 2.361 ppm Count: 236 Average Difference: -0.249 +/- 2.352 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.147 ppm Count: 239 Average Difference: 0.344 +/- 1.096 ppm DATA CS_STAT_INFO CA RMS: 1.584 ppm Count: 241 Average Difference: 0.118 +/- 1.583 ppm DATA CS_STAT_INFO CB RMS: 2.500 ppm Count: 215 Average Difference: -0.612 +/- 2.429 ppm DATA CS_STAT_INFO HN RMS: 0.425 ppm Count: 249 Average Difference: -0.053 +/- 0.422 ppm ############################################################################ For conformer 3: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 122.184 0.911 RESID 15 (V): C 176.453 176.453 174.859 1.594 RESID 15 (V): CA 63.979 63.979 61.160 2.819 RESID 15 (V): CB 32.507 32.507 35.166 -2.659 RESID 15 (V): H 8.053 8.053 7.629 0.424 RESID 16 (K): N 123.075 123.075 122.873 0.202 RESID 16 (K): C 176.841 176.841 178.539 -1.698 RESID 16 (K): CA 59.762 59.762 59.096 0.666 RESID 16 (K): CB 32.751 32.751 32.477 0.274 RESID 16 (K): H 8.059 8.059 8.489 -0.430 RESID 17 (F): N 118.838 118.838 119.892 -1.054 RESID 17 (F): C 175.443 175.443 177.252 -1.809 RESID 17 (F): CA 59.915 59.915 60.667 -0.752 RESID 17 (F): CB 39.659 39.659 38.824 0.835 RESID 17 (F): H 7.909 7.909 8.103 -0.194 RESID 18 (L): N 119.089 119.089 120.185 -1.096 RESID 18 (L): C 177.195 177.195 177.629 -0.434 RESID 18 (L): CA 55.385 55.385 56.711 -1.326 RESID 18 (L): CB 42.905 42.905 41.771 1.134 RESID 18 (L): H 7.814 7.814 8.161 -0.347 RESID 19 (G): N 108.484 108.484 107.772 0.712 RESID 19 (G): C 174.967 174.967 175.529 -0.562 RESID 19 (G): CA 45.518 45.518 47.119 -1.601 RESID 19 (G): H 8.032 8.032 8.305 -0.273 RESID 20 (A): N 124.208 124.208 123.735 0.473 RESID 20 (A): C 179.405 179.405 178.907 0.498 RESID 20 (A): CA 54.531 54.531 54.399 0.132 RESID 20 (A): CB 18.995 18.995 18.270 0.725 RESID 20 (A): H 8.318 8.318 8.019 0.299 RESID 21 (G): N 108.209 108.209 107.011 1.198 RESID 21 (G): C 175.676 175.676 175.990 -0.314 RESID 21 (G): CA 46.742 46.742 47.280 -0.538 RESID 21 (G): H 8.523 8.523 8.114 0.409 RESID 22 (T): N 119.542 119.542 115.396 4.146 RESID 22 (T): C 175.661 175.661 176.153 -0.492 RESID 22 (T): CA 66.401 66.401 65.122 1.279 RESID 22 (T): CB 68.866 68.866 68.256 0.610 RESID 22 (T): H 7.881 7.881 8.211 -0.330 RESID 23 (A): N 123.431 123.431 123.882 -0.451 RESID 23 (A): C 178.628 178.628 179.068 -0.440 RESID 23 (A): CA 55.480 55.480 54.751 0.730 RESID 23 (A): CB 18.218 18.218 17.946 0.272 RESID 23 (A): H 8.263 8.263 7.476 0.787 RESID 24 (A): N 119.939 119.939 120.525 -0.586 RESID 24 (A): C 179.172 179.172 179.427 -0.255 RESID 24 (A): CA 55.038 55.038 54.945 0.093 RESID 24 (A): CB 18.385 18.385 17.934 0.451 RESID 24 (A): H 7.827 7.827 8.238 -0.411 RESID 25 (C): N 116.736 116.736 117.243 -0.507 RESID 25 (C): C 176.220 176.220 176.805 -0.585 RESID 25 (C): CA 58.596 58.596 63.899 -5.303 RESID 25 (C): CB 41.771 41.771 27.660 14.111 RESID 25 (C): H 7.677 7.677 7.382 0.295 RESID 26 (I): N 119.154 119.154 120.596 -1.442 RESID 26 (I): C 176.915 176.915 176.876 0.039 RESID 26 (I): CA 64.858 64.858 64.569 0.289 RESID 26 (I): CB 38.090 38.090 38.187 -0.097 RESID 26 (I): H 7.899 7.899 7.590 0.309 RESID 27 (A): N 121.116 121.116 121.498 -0.382 RESID 27 (A): C 179.016 179.016 178.958 0.058 RESID 27 (A): CA 55.367 55.367 55.188 0.179 RESID 27 (A): CB 18.385 18.385 17.998 0.387 RESID 27 (A): H 7.909 7.909 7.876 0.033 RESID 28 (D): N 116.829 116.829 118.455 -1.626 RESID 28 (D): C 177.643 177.643 178.216 -0.573 RESID 28 (D): CA 56.453 56.453 56.182 0.271 RESID 28 (D): CB 41.128 41.128 41.200 -0.073 RESID 28 (D): H 7.554 7.554 7.499 0.055 RESID 29 (L): N 119.672 119.672 119.870 -0.198 RESID 29 (L): C 178.628 178.628 179.398 -0.770 RESID 29 (L): CA 57.144 57.144 57.869 -0.725 RESID 29 (L): CB 43.146 43.146 42.156 0.990 RESID 29 (L): H 7.732 7.732 7.369 0.363 RESID 30 (I): N 113.629 113.629 112.688 0.941 RESID 30 (I): C 176.456 176.456 176.986 -0.530 RESID 30 (I): CA 60.539 60.539 63.498 -2.959 RESID 30 (I): CB 38.506 38.506 37.640 0.866 RESID 30 (I): H 7.977 7.977 7.605 0.372 RESID 31 (T): N 113.314 113.314 115.642 -2.328 RESID 31 (T): C 174.045 174.045 174.908 -0.863 RESID 31 (T): CA 62.495 62.495 63.899 -1.404 RESID 31 (T): CB 69.898 69.898 69.613 0.285 RESID 31 (T): H 7.738 7.738 7.213 0.525 RESID 32 (F): N 123.409 123.409 123.679 -0.270 RESID 32 (F): CA 56.349 56.349 61.735 -5.386 RESID 32 (F): CB 39.148 39.148 37.246 1.902 RESID 32 (F): H 7.609 7.609 8.493 -0.884 RESID 33 (P): C 177.831 177.831 177.987 -0.156 RESID 33 (P): CA 62.656 62.656 65.222 -2.566 RESID 33 (P): CB 34.762 34.762 30.921 3.841 RESID 34 (L): N 124.503 124.503 117.667 6.836 RESID 34 (L): C 176.298 176.298 178.057 -1.759 RESID 34 (L): CA 55.545 55.545 57.198 -1.653 RESID 34 (L): CB 43.287 43.287 41.898 1.389 RESID 34 (L): H 8.659 8.659 7.257 1.402 RESID 35 (D): N 121.663 121.663 118.105 3.558 RESID 35 (D): C 177.152 177.152 178.239 -1.087 RESID 35 (D): CA 54.326 54.326 57.597 -3.271 RESID 35 (D): CB 41.154 41.154 40.284 0.870 RESID 35 (D): H 8.236 8.236 7.749 0.487 RESID 36 (T): N 115.977 115.977 112.095 3.882 RESID 36 (T): C 177.088 177.088 176.059 1.029 RESID 36 (T): CA 64.868 64.868 65.896 -1.028 RESID 36 (T): CB 69.053 69.053 68.455 0.598 RESID 36 (T): H 8.127 8.127 7.682 0.445 RESID 37 (A): N 125.063 125.063 124.104 0.959 RESID 37 (A): C 179.143 179.143 179.219 -0.076 RESID 37 (A): CA 55.234 55.234 55.127 0.107 RESID 37 (A): CB 18.735 18.735 18.282 0.454 RESID 37 (A): H 8.042 8.042 7.675 0.367 RESID 38 (K): N 117.827 117.827 117.785 0.042 RESID 38 (K): C 178.239 178.239 178.271 -0.032 RESID 38 (K): CA 58.861 58.861 59.166 -0.305 RESID 38 (K): CB 32.724 32.724 31.942 0.782 RESID 38 (K): H 7.759 7.759 7.535 0.224 RESID 39 (V): N 118.955 118.955 115.234 3.721 RESID 39 (V): C 177.892 177.892 178.155 -0.263 RESID 39 (V): CA 65.478 65.478 64.681 0.797 RESID 39 (V): CB 34.675 34.675 31.230 3.446 RESID 39 (V): H 7.554 7.554 7.418 0.136 RESID 40 (R): N 119.922 119.922 119.125 0.797 RESID 40 (R): C 178.391 178.391 178.849 -0.458 RESID 40 (R): CA 59.648 59.648 58.824 0.824 RESID 40 (R): CB 29.933 29.933 30.192 -0.258 RESID 40 (R): H 7.794 7.794 7.346 0.448 RESID 41 (L): N 118.720 118.720 120.568 -1.848 RESID 41 (L): CA 54.749 54.749 55.139 -0.390 RESID 41 (L): CB 40.429 40.429 38.956 1.473 RESID 41 (L): H 7.534 7.534 7.486 0.048 RESID 49 (G): C 174.779 174.779 175.519 -0.740 RESID 50 (L): N 123.029 123.029 122.141 0.888 RESID 50 (L): C 178.482 178.482 178.661 -0.179 RESID 50 (L): CA 56.765 56.765 56.916 -0.151 RESID 50 (L): CB 41.673 41.673 41.070 0.603 RESID 50 (L): H 8.113 8.113 7.847 0.266 RESID 51 (V): N 118.714 118.714 116.972 1.742 RESID 51 (V): C 178.032 178.032 178.502 -0.470 RESID 51 (V): CA 66.037 66.037 65.755 0.282 RESID 51 (V): CB 30.763 30.763 31.082 -0.319 RESID 51 (V): H 7.974 7.974 7.943 0.031 RESID 52 (R): N 121.569 121.569 119.915 1.654 RESID 52 (R): CA 59.167 59.167 58.888 0.279 RESID 52 (R): CB 29.437 29.437 29.814 -0.378 RESID 52 (R): H 8.231 8.231 8.237 -0.006 RESID 53 (T): C 175.108 175.108 174.759 0.349 RESID 53 (T): H 7.948 7.948 7.467 0.481 RESID 54 (A): N 121.823 121.823 123.969 -2.146 RESID 54 (A): C 174.922 174.922 175.744 -0.822 RESID 54 (A): CA 50.101 50.101 50.970 -0.869 RESID 54 (A): CB 18.950 18.950 19.750 -0.799 RESID 54 (A): H 7.792 7.792 7.594 0.198 RESID 55 (A): N 113.986 113.986 125.408 -11.422 RESID 55 (A): C 178.007 178.007 177.131 0.876 RESID 55 (A): CA 53.458 53.458 53.584 -0.126 RESID 55 (A): CB 18.809 18.809 18.888 -0.079 RESID 55 (A): H 7.333 7.333 8.570 -1.237 RESID 56 (S): N 125.425 125.425 113.814 11.611 RESID 56 (S): C 174.899 174.899 173.477 1.422 RESID 56 (S): CA 59.520 59.520 56.825 2.695 RESID 56 (S): CB 64.051 64.051 64.606 -0.555 RESID 56 (S): H 7.786 7.786 7.409 0.377 RESID 57 (A): N 118.183 118.183 119.423 -1.240 RESID 57 (A): CA 53.783 53.783 53.464 0.319 RESID 57 (A): CB 17.599 17.599 17.577 0.022 RESID 57 (A): H 8.018 8.018 7.840 0.178 RESID 59 (Y): C 177.662 177.662 175.992 1.670 RESID 60 (R): N 122.798 122.798 120.164 2.634 RESID 60 (R): C 177.956 177.956 176.582 1.374 RESID 60 (R): CA 58.711 58.711 57.349 1.362 RESID 60 (R): CB 30.659 30.659 30.248 0.411 RESID 60 (R): H 8.311 8.311 8.642 -0.331 RESID 61 (G): N 109.033 109.033 107.984 1.049 RESID 61 (G): C 176.064 176.064 175.368 0.696 RESID 61 (G): CA 46.592 46.592 45.237 1.355 RESID 61 (G): H 8.182 8.182 8.062 0.120 RESID 62 (V): N 123.218 123.218 126.037 -2.819 RESID 62 (V): C 177.540 177.540 177.342 0.198 RESID 62 (V): CA 66.277 66.277 64.682 1.595 RESID 62 (V): CB 32.355 32.355 32.295 0.060 RESID 62 (V): H 8.105 8.105 8.466 -0.361 RESID 63 (L): N 120.295 120.295 119.030 1.265 RESID 63 (L): C 178.628 178.628 178.958 -0.330 RESID 63 (L): CA 58.366 58.366 57.463 0.903 RESID 63 (L): CB 41.675 41.675 40.535 1.141 RESID 63 (L): H 8.182 8.182 8.379 -0.197 RESID 64 (G): N 106.013 106.013 105.868 0.145 RESID 64 (G): C 176.531 176.531 176.330 0.201 RESID 64 (G): CA 47.765 47.765 47.363 0.402 RESID 64 (G): H 8.102 8.102 7.739 0.363 RESID 65 (T): N 120.842 120.842 117.015 3.827 RESID 65 (T): C 176.453 176.453 176.347 0.106 RESID 65 (T): CA 67.140 67.140 65.450 1.690 RESID 65 (T): CB 69.161 69.161 68.593 0.568 RESID 65 (T): H 7.854 7.854 7.495 0.359 RESID 66 (I): N 122.676 122.676 122.638 0.038 RESID 66 (I): C 177.307 177.307 177.248 0.059 RESID 66 (I): CA 65.832 65.832 64.144 1.688 RESID 66 (I): CB 38.090 38.090 37.861 0.229 RESID 66 (I): H 8.018 8.018 7.433 0.585 RESID 67 (L): N 119.838 119.838 118.751 1.087 RESID 67 (L): C 178.706 178.706 178.274 0.432 RESID 67 (L): CA 58.491 58.491 58.185 0.305 RESID 67 (L): CB 41.387 41.387 41.543 -0.156 RESID 67 (L): H 8.291 8.291 7.462 0.829 RESID 68 (T): N 115.362 115.362 115.023 0.339 RESID 68 (T): C 176.764 176.764 176.805 -0.041 RESID 68 (T): CA 67.040 67.040 66.492 0.548 RESID 68 (T): CB 69.403 69.403 68.844 0.559 RESID 68 (T): H 7.963 7.963 7.300 0.663 RESID 69 (M): N 122.960 122.960 119.839 3.121 RESID 69 (M): C 177.153 177.153 177.619 -0.466 RESID 69 (M): CA 59.710 59.710 58.958 0.752 RESID 69 (M): CB 33.111 33.111 32.141 0.970 RESID 69 (M): H 7.977 7.977 7.655 0.322 RESID 70 (V): N 119.558 119.558 114.870 4.688 RESID 70 (V): C 176.841 176.841 177.356 -0.515 RESID 70 (V): CA 66.277 66.277 64.542 1.735 RESID 70 (V): CB 31.362 31.362 31.305 0.057 RESID 70 (V): H 7.751 7.751 7.448 0.303 RESID 71 (R): N 118.002 118.002 117.555 0.447 RESID 71 (R): C 177.152 177.152 178.175 -1.023 RESID 71 (R): CA 58.761 58.761 58.107 0.654 RESID 71 (R): CB 30.656 30.656 29.660 0.996 RESID 71 (R): H 7.827 7.827 7.563 0.264 RESID 72 (T): N 111.410 111.410 113.855 -2.445 RESID 72 (T): C 175.288 175.288 175.959 -0.671 RESID 72 (T): CA 64.194 64.194 64.906 -0.712 RESID 72 (T): CB 70.312 70.312 68.917 1.395 RESID 72 (T): H 7.745 7.745 7.765 -0.020 RESID 73 (E): N 120.577 120.577 120.640 -0.063 RESID 73 (E): C 177.696 177.696 176.317 1.379 RESID 73 (E): CA 57.363 57.363 56.486 0.876 RESID 73 (E): CB 30.927 30.927 31.264 -0.337 RESID 73 (E): H 8.263 8.263 8.197 0.066 RESID 74 (G): N 108.209 108.209 106.027 2.182 RESID 74 (G): CA 45.593 45.593 44.801 0.792 RESID 74 (G): H 7.841 7.841 7.474 0.367 RESID 75 (P): C 177.152 177.152 178.514 -1.362 RESID 75 (P): CA 65.652 65.652 64.522 1.130 RESID 75 (P): CB 32.294 32.294 32.173 0.121 RESID 76 (R): N 118.553 118.553 117.544 1.009 RESID 76 (R): C 177.696 177.696 177.604 0.092 RESID 76 (R): CA 59.785 59.785 58.257 1.528 RESID 76 (R): CB 29.671 29.671 29.837 -0.166 RESID 76 (R): H 8.427 8.427 8.523 -0.096 RESID 77 (S): N 115.323 115.323 113.108 2.215 RESID 77 (S): C 177.230 177.230 175.430 1.800 RESID 77 (S): CA 61.318 61.318 60.886 0.432 RESID 77 (S): CB 63.281 63.281 63.637 -0.356 RESID 77 (S): H 7.963 7.963 8.105 -0.142 RESID 78 (L): N 122.598 122.598 120.643 1.955 RESID 78 (L): C 177.696 177.696 177.542 0.154 RESID 78 (L): CA 57.792 57.792 56.462 1.330 RESID 78 (L): CB 42.202 42.202 42.395 -0.193 RESID 78 (L): H 7.595 7.595 7.505 0.090 RESID 79 (Y): N 119.276 119.276 113.130 6.146 RESID 79 (Y): C 176.142 176.142 175.184 0.958 RESID 79 (Y): CA 60.792 60.792 58.884 1.908 RESID 79 (Y): CB 38.687 38.687 38.843 -0.156 RESID 79 (Y): H 7.868 7.868 7.482 0.386 RESID 80 (N): N 117.249 117.249 118.636 -1.387 RESID 80 (N): C 178.472 178.472 175.740 2.732 RESID 80 (N): CA 53.024 53.024 53.841 -0.817 RESID 80 (N): CB 37.946 37.946 39.028 -1.082 RESID 80 (N): H 8.374 8.374 7.364 1.010 RESID 81 (G): N 108.575 108.575 113.957 -5.382 RESID 81 (G): C 175.521 175.521 175.330 0.191 RESID 81 (G): CA 46.266 46.266 45.544 0.722 RESID 81 (G): H 8.086 8.086 8.622 -0.536 RESID 82 (L): N 124.326 124.326 122.259 2.067 RESID 82 (L): C 178.239 178.239 177.810 0.429 RESID 82 (L): CA 58.217 58.217 57.101 1.116 RESID 82 (L): CB 42.351 42.351 41.954 0.397 RESID 82 (L): H 7.991 7.991 7.411 0.580 RESID 83 (V): N 117.727 117.727 117.073 0.654 RESID 83 (V): C 177.851 177.851 177.243 0.608 RESID 83 (V): CA 64.113 64.113 65.404 -1.291 RESID 83 (V): CB 31.924 31.924 31.238 0.686 RESID 83 (V): H 8.004 8.004 8.189 -0.185 RESID 84 (A): N 121.414 121.414 122.469 -1.055 RESID 84 (A): C 180.570 180.570 179.239 1.331 RESID 84 (A): CA 55.031 55.031 54.383 0.648 RESID 84 (A): CB 18.286 18.286 18.219 0.067 RESID 84 (A): H 7.677 7.677 7.631 0.046 RESID 85 (G): N 106.471 106.471 107.497 -1.026 RESID 85 (G): C 175.521 175.521 176.094 -0.573 RESID 85 (G): CA 47.191 47.191 46.695 0.496 RESID 85 (G): H 7.963 7.963 7.487 0.476 RESID 86 (L): N 122.326 122.326 122.031 0.295 RESID 86 (L): C 178.239 178.239 178.728 -0.489 RESID 86 (L): CA 57.493 57.493 57.516 -0.023 RESID 86 (L): CB 42.202 42.202 40.994 1.208 RESID 86 (L): H 8.100 8.100 7.433 0.667 RESID 87 (Q): N 117.736 117.736 117.805 -0.069 RESID 87 (Q): C 177.340 177.340 177.849 -0.509 RESID 87 (Q): CA 57.787 57.787 59.105 -1.318 RESID 87 (Q): CB 28.942 28.942 28.536 0.406 RESID 87 (Q): H 8.004 8.004 7.841 0.163 RESID 88 (R): N 118.107 118.107 119.034 -0.927 RESID 88 (R): C 177.930 177.930 178.624 -0.694 RESID 88 (R): CA 58.062 58.062 59.495 -1.433 RESID 88 (R): CB 30.774 30.774 29.832 0.942 RESID 88 (R): H 7.568 7.568 7.280 0.288 RESID 89 (Q): N 117.921 117.921 117.930 -0.009 RESID 89 (Q): C 177.375 177.375 178.254 -0.879 RESID 89 (Q): CA 56.838 56.838 58.204 -1.366 RESID 89 (Q): CB 29.006 29.006 28.212 0.794 RESID 89 (Q): H 7.827 7.827 7.544 0.283 RESID 90 (M): N 118.378 118.378 119.933 -1.555 RESID 90 (M): C 176.365 176.365 178.296 -1.931 RESID 90 (M): CA 56.339 56.339 57.988 -1.649 RESID 90 (M): CB 33.444 33.444 32.230 1.214 RESID 90 (M): H 7.963 7.963 8.513 -0.550 RESID 91 (S): N 115.089 115.089 115.816 -0.727 RESID 91 (S): C 175.899 175.899 176.339 -0.440 RESID 91 (S): CA 58.621 58.621 62.246 -3.625 RESID 91 (S): CB 64.337 64.337 62.827 1.510 RESID 91 (S): H 7.868 7.868 7.926 -0.058 RESID 92 (F): N 122.852 122.852 122.759 0.093 RESID 92 (F): C 177.375 177.375 176.492 0.883 RESID 92 (F): CA 59.095 59.095 61.430 -2.335 RESID 92 (F): CB 38.937 38.937 39.109 -0.172 RESID 92 (F): H 8.332 8.332 7.573 0.759 RESID 93 (A): N 123.258 123.258 119.604 3.654 RESID 93 (A): C 178.628 178.628 178.678 -0.050 RESID 93 (A): CA 54.881 54.881 54.417 0.464 RESID 93 (A): CB 17.902 17.902 18.141 -0.239 RESID 93 (A): H 8.223 8.223 7.649 0.574 RESID 94 (S): N 112.886 112.886 115.144 -2.258 RESID 94 (S): C 176.831 176.831 176.747 0.084 RESID 94 (S): CA 60.319 60.319 61.505 -1.186 RESID 94 (S): CB 63.611 63.611 63.414 0.197 RESID 94 (S): H 7.977 7.977 7.493 0.484 RESID 95 (V): N 121.854 121.854 122.207 -0.353 RESID 95 (V): C 176.220 176.220 176.346 -0.126 RESID 95 (V): CA 64.629 64.629 65.870 -1.241 RESID 95 (V): CB 31.328 31.328 31.368 -0.040 RESID 95 (V): H 7.581 7.581 8.354 -0.773 RESID 96 (R): N 121.329 121.329 119.000 2.329 RESID 96 (R): C 176.814 176.814 177.067 -0.253 RESID 96 (R): CA 58.636 58.636 57.610 1.026 RESID 96 (R): CB 30.672 30.672 29.439 1.233 RESID 96 (R): H 7.936 7.936 7.204 0.732 RESID 97 (I): N 119.194 119.194 117.938 1.256 RESID 97 (I): C 177.152 177.152 176.687 0.465 RESID 97 (I): CA 63.296 63.296 62.693 0.603 RESID 97 (I): CB 38.757 38.757 38.387 0.370 RESID 97 (I): H 7.802 7.802 7.397 0.405 RESID 98 (G): N 109.857 109.857 107.581 2.276 RESID 98 (G): C 176.064 176.064 174.885 1.179 RESID 98 (G): CA 46.941 46.941 46.126 0.815 RESID 98 (G): H 8.127 8.127 7.568 0.559 RESID 99 (L): N 123.258 123.258 122.579 0.679 RESID 99 (L): C 177.856 177.856 178.100 -0.244 RESID 99 (L): CA 58.264 58.264 57.040 1.224 RESID 99 (L): CB 42.488 42.488 41.797 0.691 RESID 99 (L): H 8.223 8.223 7.781 0.442 RESID 100 (Y): N 119.770 119.770 120.302 -0.532 RESID 100 (Y): C 176.997 176.997 177.017 -0.020 RESID 100 (Y): CA 61.592 61.592 62.295 -0.703 RESID 100 (Y): CB 38.809 38.809 38.459 0.350 RESID 100 (Y): H 8.207 8.207 8.050 0.157 RESID 101 (D): N 118.460 118.460 118.282 0.178 RESID 101 (D): C 178.939 178.939 178.536 0.403 RESID 101 (D): CA 57.797 57.797 57.597 0.200 RESID 101 (D): CB 40.498 40.498 40.112 0.386 RESID 101 (D): H 8.401 8.401 8.511 -0.110 RESID 102 (S): N 116.022 116.022 115.689 0.333 RESID 102 (S): C 176.005 176.005 176.076 -0.071 RESID 102 (S): CA 62.791 62.791 61.509 1.282 RESID 102 (S): CB 64.211 64.211 62.975 1.236 RESID 102 (S): H 7.854 7.854 7.672 0.182 RESID 103 (V): N 120.844 120.844 120.649 0.195 RESID 103 (V): C 177.307 177.307 176.590 0.717 RESID 103 (V): CA 66.510 66.510 64.615 1.895 RESID 103 (V): CB 31.965 31.965 31.765 0.200 RESID 103 (V): H 7.926 7.926 7.436 0.489 RESID 104 (K): N 120.468 120.468 119.331 1.137 RESID 104 (K): C 178.861 178.861 178.900 -0.039 RESID 104 (K): CA 60.184 60.184 59.753 0.431 RESID 104 (K): CB 31.979 31.979 32.254 -0.275 RESID 104 (K): H 8.127 8.127 7.641 0.486 RESID 105 (Q): N 118.386 118.386 117.509 0.877 RESID 105 (Q): C 177.540 177.540 178.685 -1.145 RESID 105 (Q): CA 58.786 58.786 58.014 0.772 RESID 105 (Q): CB 28.377 28.377 28.684 -0.307 RESID 105 (Q): H 7.841 7.841 8.024 -0.183 RESID 106 (F): N 119.471 119.471 118.647 0.824 RESID 106 (F): C 176.531 176.531 176.538 -0.007 RESID 106 (F): CA 60.593 60.593 60.308 0.285 RESID 106 (F): CB 39.459 39.459 38.913 0.546 RESID 106 (F): H 7.772 7.772 7.618 0.154 RESID 107 (Y): N 118.288 118.288 115.776 2.512 RESID 107 (Y): C 176.220 176.220 176.813 -0.593 RESID 107 (Y): CA 60.543 60.543 57.924 2.619 RESID 107 (Y): CB 38.819 38.819 39.171 -0.352 RESID 107 (Y): H 8.045 8.045 7.337 0.708 RESID 108 (T): N 113.383 113.383 114.262 -0.879 RESID 108 (T): C 175.288 175.288 174.677 0.611 RESID 108 (T): CA 64.094 64.094 62.510 1.585 RESID 108 (T): CB 69.986 69.986 68.853 1.133 RESID 108 (T): H 7.868 7.868 7.518 0.350 RESID 113 (H): C 173.413 173.413 173.952 -0.539 RESID 113 (H): H 7.968 7.968 8.479 -0.511 RESID 114 (A): N 119.456 119.456 121.656 -2.200 RESID 114 (A): C 177.851 177.851 176.445 1.406 RESID 114 (A): CA 53.283 53.283 52.185 1.098 RESID 114 (A): CB 19.362 19.362 19.215 0.147 RESID 114 (A): H 8.433 8.433 8.054 0.379 RESID 115 (G): N 108.484 108.484 105.326 3.158 RESID 115 (G): C 174.822 174.822 174.978 -0.156 RESID 115 (G): CA 45.968 45.968 45.097 0.870 RESID 115 (G): H 8.250 8.250 8.087 0.163 RESID 116 (I): N 121.139 121.139 121.865 -0.726 RESID 116 (I): C 176.841 176.841 177.140 -0.299 RESID 116 (I): CA 63.160 63.160 63.868 -0.708 RESID 116 (I): CB 38.853 38.853 38.093 0.760 RESID 116 (I): H 8.127 8.127 8.160 -0.033 RESID 117 (G): N 110.863 110.863 107.211 3.652 RESID 117 (G): C 174.588 174.588 175.902 -1.314 RESID 117 (G): CA 46.791 46.791 47.373 -0.582 RESID 117 (G): H 8.509 8.509 8.508 0.001 RESID 118 (S): N 116.069 116.069 118.290 -2.221 RESID 118 (S): C 175.754 175.754 176.524 -0.770 RESID 118 (S): CA 60.319 60.319 61.298 -0.979 RESID 118 (S): CB 63.864 63.864 62.329 1.535 RESID 118 (S): H 7.991 7.991 8.007 -0.016 RESID 119 (R): N 122.134 122.134 122.644 -0.510 RESID 119 (R): C 178.228 178.228 178.361 -0.133 RESID 119 (R): CA 57.787 57.787 59.465 -1.678 RESID 119 (R): CB 30.549 30.549 30.014 0.535 RESID 119 (R): H 7.963 7.963 8.349 -0.386 RESID 120 (L): N 120.403 120.403 121.528 -1.125 RESID 120 (L): C 177.230 177.230 178.672 -1.442 RESID 120 (L): CA 57.967 57.967 58.281 -0.314 RESID 120 (L): CB 42.146 42.146 41.847 0.299 RESID 120 (L): H 7.914 7.914 7.751 0.163 RESID 121 (L): N 118.960 118.960 119.437 -0.477 RESID 121 (L): C 177.152 177.152 179.049 -1.897 RESID 121 (L): CA 55.495 55.495 58.327 -2.832 RESID 121 (L): CB 42.238 42.238 41.304 0.933 RESID 121 (L): H 7.718 7.718 8.445 -0.727 RESID 122 (A): N 123.063 123.063 121.564 1.499 RESID 122 (A): C 178.317 178.317 179.937 -1.620 RESID 122 (A): CA 53.358 53.358 55.576 -2.218 RESID 122 (A): CB 19.218 19.218 18.140 1.078 RESID 122 (A): H 7.745 7.745 8.888 -1.143 RESID 123 (G): N 107.843 107.843 106.603 1.240 RESID 123 (G): C 176.912 176.912 176.456 0.456 RESID 123 (G): CA 45.943 45.943 47.098 -1.155 RESID 123 (G): H 8.113 8.113 8.883 -0.770 RESID 124 (S): N 116.105 116.105 118.729 -2.624 RESID 124 (S): C 175.574 175.574 176.873 -1.299 RESID 124 (S): CA 59.145 59.145 62.239 -3.094 RESID 124 (S): CB 64.211 64.211 63.289 0.922 RESID 124 (S): H 8.109 8.109 8.526 -0.417 RESID 125 (T): N 116.069 116.069 118.226 -2.157 RESID 125 (T): C 176.055 176.055 176.929 -0.874 RESID 125 (T): CA 66.921 66.921 67.117 -0.196 RESID 125 (T): CB 69.682 69.682 68.955 0.727 RESID 125 (T): H 8.086 8.086 8.359 -0.273 RESID 126 (T): N 115.439 115.439 115.909 -0.470 RESID 126 (T): C 177.443 177.443 176.833 0.610 RESID 126 (T): CA 65.285 65.285 66.510 -1.225 RESID 126 (T): CB 68.364 68.364 68.450 -0.086 RESID 126 (T): H 7.977 7.977 8.581 -0.604 RESID 127 (G): N 115.453 115.453 109.657 5.796 RESID 127 (G): C 174.215 174.215 175.115 -0.900 RESID 127 (G): CA 46.117 46.117 46.805 -0.688 RESID 127 (G): H 8.168 8.168 8.285 -0.117 RESID 128 (A): N 123.952 123.952 125.464 -1.512 RESID 128 (A): C 178.162 178.162 179.378 -1.216 RESID 128 (A): CA 53.349 53.349 54.525 -1.176 RESID 128 (A): CB 19.099 19.099 18.502 0.598 RESID 128 (A): H 7.919 7.919 7.517 0.402 RESID 129 (L): N 120.025 120.025 119.594 0.431 RESID 129 (L): C 177.949 177.949 178.544 -0.595 RESID 129 (L): CA 56.019 56.019 57.172 -1.153 RESID 129 (L): CB 42.340 42.340 41.505 0.835 RESID 129 (L): H 7.936 7.936 7.592 0.344 RESID 130 (A): N 123.402 123.402 121.001 2.401 RESID 130 (A): C 177.929 177.929 179.589 -1.660 RESID 130 (A): CA 53.283 53.283 55.085 -1.802 RESID 130 (A): CB 18.964 18.964 18.281 0.683 RESID 130 (A): H 7.868 7.868 8.122 -0.254 RESID 131 (V): N 118.111 118.111 114.828 3.283 RESID 131 (V): C 176.025 176.025 177.296 -1.271 RESID 131 (V): CA 63.180 63.180 64.912 -1.732 RESID 131 (V): CB 32.898 32.898 31.207 1.691 RESID 131 (V): H 7.636 7.636 7.925 -0.289 RESID 132 (A): N 124.047 124.047 122.791 1.256 RESID 132 (A): C 179.008 179.008 178.660 0.348 RESID 132 (A): CA 53.707 53.707 54.821 -1.114 RESID 132 (A): CB 19.150 19.150 18.832 0.318 RESID 132 (A): H 7.911 7.911 7.611 0.300 RESID 133 (V): N 113.349 113.349 117.786 -4.437 RESID 133 (V): C 175.527 175.527 176.755 -1.228 RESID 133 (V): CA 64.115 64.115 63.902 0.213 RESID 133 (V): CB 31.832 31.832 32.340 -0.508 RESID 133 (V): H 7.094 7.094 7.457 -0.363 RESID 134 (A): N 123.224 123.224 120.716 2.508 RESID 134 (A): CA 55.493 55.493 51.849 3.643 RESID 134 (A): H 7.586 7.586 7.795 -0.209 RESID 136 (P): C 177.074 177.074 178.222 -1.148 RESID 137 (T): N 113.281 113.281 108.670 4.611 RESID 137 (T): C 174.485 174.485 176.681 -2.196 RESID 137 (T): CA 64.496 64.496 66.439 -1.943 RESID 137 (T): CB 69.997 69.997 68.001 1.996 RESID 137 (T): H 7.963 7.963 8.189 -0.226 RESID 138 (D): N 122.770 122.770 122.526 0.244 RESID 138 (D): C 178.458 178.458 178.518 -0.060 RESID 138 (D): CA 56.776 56.776 56.812 -0.036 RESID 138 (D): CB 41.023 41.023 40.550 0.473 RESID 138 (D): H 8.094 8.094 7.624 0.470 RESID 139 (V): N 119.931 119.931 120.004 -0.073 RESID 139 (V): C 177.502 177.502 178.094 -0.592 RESID 139 (V): CA 66.455 66.455 66.278 0.177 RESID 139 (V): CB 32.804 32.804 31.796 1.008 RESID 139 (V): H 7.753 7.753 7.778 -0.025 RESID 140 (V): N 120.539 120.539 116.744 3.795 RESID 140 (V): C 176.232 176.232 177.644 -1.412 RESID 140 (V): CA 66.770 66.770 66.934 -0.164 RESID 140 (V): CB 32.086 32.086 31.228 0.858 RESID 140 (V): H 8.295 8.295 7.872 0.423 RESID 141 (K): N 120.122 120.122 120.822 -0.700 RESID 141 (K): C 176.120 176.120 178.925 -2.805 RESID 141 (K): CA 55.991 55.991 59.736 -3.745 RESID 141 (K): CB 31.712 31.712 32.467 -0.755 RESID 141 (K): H 7.698 7.698 7.457 0.241 RESID 142 (V): N 120.104 120.104 119.773 0.331 RESID 142 (V): CA 63.230 63.230 65.578 -2.348 RESID 142 (V): H 7.772 7.772 7.439 0.333 RESID 143 (R): C 178.401 178.401 178.462 -0.061 RESID 143 (R): H 7.999 7.999 8.132 -0.133 RESID 144 (F): N 120.445 120.445 119.476 0.969 RESID 144 (F): C 177.856 177.856 176.794 1.062 RESID 144 (F): CA 61.438 61.438 60.581 0.857 RESID 144 (F): H 8.395 8.395 8.676 -0.281 RESID 145 (Q): N 124.180 124.180 117.350 6.830 RESID 145 (Q): C 174.844 174.844 177.584 -2.740 RESID 145 (Q): CA 56.414 56.414 57.918 -1.504 RESID 145 (Q): CB 30.721 30.721 29.003 1.718 RESID 145 (Q): H 8.094 8.094 7.813 0.281 RESID 146 (A): N 120.452 120.452 120.493 -0.041 RESID 146 (A): C 177.929 177.929 177.512 0.417 RESID 146 (A): CA 53.483 53.483 53.230 0.253 RESID 146 (A): CB 18.431 18.431 19.036 -0.605 RESID 146 (A): H 7.939 7.939 7.421 0.518 RESID 147 (Q): N 119.388 119.388 118.595 0.793 RESID 147 (Q): C 176.029 176.029 174.895 1.134 RESID 147 (Q): CA 56.339 56.339 56.432 -0.093 RESID 147 (Q): CB 29.444 29.444 28.514 0.930 RESID 147 (Q): H 8.072 8.072 7.569 0.503 RESID 148 (A): N 125.199 125.199 129.107 -3.908 RESID 148 (A): C 177.766 177.766 178.642 -0.876 RESID 148 (A): CA 53.108 53.108 52.922 0.186 RESID 148 (A): CB 19.151 19.151 18.979 0.172 RESID 148 (A): H 8.055 8.055 8.143 -0.088 RESID 149 (R): N 120.208 120.208 119.598 0.610 RESID 149 (R): CA 56.414 56.414 56.195 0.219 RESID 149 (R): CB 30.749 30.749 29.875 0.874 RESID 149 (R): H 8.018 8.018 8.494 -0.476 RESID 159 (T): C 175.928 175.928 176.221 -0.293 RESID 160 (V): N 118.321 118.321 118.850 -0.529 RESID 160 (V): C 177.749 177.749 177.215 0.534 RESID 160 (V): CA 64.126 64.126 65.492 -1.366 RESID 160 (V): CB 31.343 31.343 30.634 0.709 RESID 160 (V): H 8.073 8.073 8.041 0.032 RESID 161 (E): N 122.379 122.379 121.174 1.205 RESID 161 (E): C 178.783 178.783 178.506 0.277 RESID 161 (E): CA 59.550 59.550 59.118 0.432 RESID 161 (E): CB 29.597 29.597 28.098 1.499 RESID 161 (E): H 8.204 8.204 8.697 -0.493 RESID 162 (A): N 122.845 122.845 123.367 -0.522 RESID 162 (A): C 179.948 179.948 179.256 0.692 RESID 162 (A): CA 55.181 55.181 55.099 0.082 RESID 162 (A): CB 18.154 18.154 18.511 -0.357 RESID 162 (A): H 7.786 7.786 8.226 -0.440 RESID 163 (Y): N 118.902 118.902 119.646 -0.744 RESID 163 (Y): C 177.273 177.273 177.890 -0.617 RESID 163 (Y): CA 61.068 61.068 62.004 -0.936 RESID 163 (Y): CB 37.898 37.898 38.788 -0.890 RESID 163 (Y): H 7.922 7.922 8.030 -0.108 RESID 164 (K): N 119.939 119.939 117.819 2.120 RESID 164 (K): C 178.239 178.239 179.190 -0.951 RESID 164 (K): CA 60.309 60.309 59.101 1.208 RESID 164 (K): CB 32.504 32.504 32.097 0.407 RESID 164 (K): H 8.223 8.223 7.665 0.558 RESID 165 (T): N 115.262 115.262 116.174 -0.912 RESID 165 (T): C 175.676 175.676 176.489 -0.813 RESID 165 (T): CA 66.516 66.516 66.730 -0.214 RESID 165 (T): CB 69.367 69.367 68.604 0.763 RESID 165 (T): H 7.745 7.745 8.247 -0.502 RESID 166 (I): N 121.571 121.571 118.032 3.539 RESID 166 (I): C 177.307 177.307 177.049 0.258 RESID 166 (I): CA 64.634 64.634 64.254 0.380 RESID 166 (I): CB 38.896 38.896 36.731 2.165 RESID 166 (I): H 7.540 7.540 7.362 0.178 RESID 167 (A): N 121.983 121.983 123.345 -1.362 RESID 167 (A): C 178.395 178.395 179.876 -1.481 RESID 167 (A): CA 54.656 54.656 54.606 0.050 RESID 167 (A): CB 18.486 18.486 17.880 0.606 RESID 167 (A): H 8.059 8.059 7.605 0.454 RESID 168 (R): N 116.369 116.369 119.059 -2.690 RESID 168 (R): C 177.307 177.307 178.389 -1.082 RESID 168 (R): CA 58.486 58.486 58.777 -0.291 RESID 168 (R): CB 30.930 30.930 30.104 0.826 RESID 168 (R): H 7.690 7.690 7.779 -0.089 RESID 169 (E): N 118.667 118.667 117.733 0.934 RESID 169 (E): C 177.696 177.696 178.479 -0.783 RESID 169 (E): CA 58.212 58.212 58.429 -0.217 RESID 169 (E): CB 30.357 30.357 30.013 0.344 RESID 169 (E): H 8.045 8.045 7.712 0.333 RESID 170 (E): N 118.202 118.202 116.814 1.388 RESID 170 (E): C 177.878 177.878 177.327 0.551 RESID 170 (E): CA 57.363 57.363 56.851 0.512 RESID 170 (E): CB 31.277 31.277 30.891 0.386 RESID 170 (E): H 8.550 8.550 8.299 0.251 RESID 171 (G): N 108.941 108.941 107.849 1.092 RESID 171 (G): C 174.433 174.433 174.881 -0.448 RESID 171 (G): CA 45.193 45.193 44.724 0.469 RESID 171 (G): H 7.881 7.881 7.669 0.212 RESID 172 (I): N 120.842 120.842 121.800 -0.958 RESID 172 (I): C 176.997 176.997 177.606 -0.609 RESID 172 (I): CA 63.810 63.810 63.256 0.554 RESID 172 (I): CB 38.516 38.516 37.851 0.665 RESID 172 (I): H 8.550 8.550 8.317 0.233 RESID 173 (R): N 119.480 119.480 120.363 -0.883 RESID 173 (R): C 178.084 178.084 178.526 -0.442 RESID 173 (R): CA 58.711 58.711 59.090 -0.379 RESID 173 (R): CB 29.796 29.796 29.610 0.186 RESID 173 (R): H 8.277 8.277 8.398 -0.121 RESID 174 (G): N 106.379 106.379 106.313 0.066 RESID 174 (G): C 175.210 175.210 176.128 -0.918 RESID 174 (G): CA 46.767 46.767 46.633 0.134 RESID 174 (G): H 7.690 7.690 7.899 -0.209 RESID 175 (L): N 120.664 120.664 121.196 -0.532 RESID 175 (L): C 177.971 177.971 178.032 -0.061 RESID 175 (L): CA 57.104 57.104 56.818 0.286 RESID 175 (L): CB 42.559 42.559 42.185 0.374 RESID 175 (L): H 7.554 7.554 7.326 0.228 RESID 176 (W): N 117.031 117.031 116.742 0.289 RESID 176 (W): C 176.987 176.987 178.054 -1.067 RESID 176 (W): CA 57.672 57.672 57.692 -0.020 RESID 176 (W): CB 29.796 29.796 28.274 1.522 RESID 176 (W): H 7.499 7.499 8.002 -0.503 RESID 177 (K): N 120.567 120.567 120.402 0.165 RESID 177 (K): C 177.152 177.152 178.286 -1.134 RESID 177 (K): CA 57.712 57.712 59.968 -2.256 RESID 177 (K): CB 32.890 32.890 31.784 1.106 RESID 177 (K): H 7.595 7.595 7.433 0.162 RESID 178 (G): N 108.667 108.667 104.063 4.604 RESID 178 (G): C 174.045 174.045 175.591 -1.546 RESID 178 (G): CA 45.893 45.893 46.071 -0.178 RESID 178 (G): H 7.881 7.881 8.145 -0.264 RESID 179 (T): N 115.080 115.080 119.731 -4.651 RESID 179 (T): C 175.192 175.192 176.776 -1.584 RESID 179 (T): CA 66.521 66.521 66.296 0.225 RESID 179 (T): CB 70.079 70.079 68.358 1.721 RESID 179 (T): H 7.622 7.622 7.679 -0.057 RESID 180 (S): N 117.754 117.754 116.017 1.737 RESID 180 (S): CA 63.123 63.123 64.104 -0.981 RESID 180 (S): CB 62.045 62.045 61.998 0.046 RESID 180 (S): H 8.195 8.195 8.043 0.152 RESID 182 (N): C 177.348 177.348 177.793 -0.445 RESID 183 (V): N 118.118 118.118 121.161 -3.043 RESID 183 (V): C 176.944 176.944 177.401 -0.457 RESID 183 (V): CA 65.244 65.244 65.294 -0.050 RESID 183 (V): CB 32.508 32.508 31.303 1.205 RESID 183 (V): H 7.861 7.861 7.450 0.411 RESID 184 (A): N 122.284 122.284 121.624 0.660 RESID 184 (A): C 178.317 178.317 179.377 -1.060 RESID 184 (A): CA 55.339 55.339 55.213 0.126 RESID 184 (A): CB 28.230 28.230 18.258 9.972 RESID 184 (A): H 8.097 8.097 7.584 0.513 RESID 185 (R): N 117.321 117.321 119.372 -2.051 RESID 185 (R): C 177.527 177.527 178.226 -0.699 RESID 185 (R): CA 59.543 59.543 59.650 -0.107 RESID 185 (R): CB 29.767 29.767 30.157 -0.390 RESID 185 (R): H 7.611 7.611 7.939 -0.329 RESID 186 (N): N 117.294 117.294 117.271 0.023 RESID 186 (N): C 176.599 176.599 177.287 -0.688 RESID 186 (N): CA 56.659 56.659 56.188 0.471 RESID 186 (N): CB 39.454 39.454 38.300 1.154 RESID 186 (N): H 8.048 8.048 7.949 0.099 RESID 187 (A): N 121.003 121.003 124.124 -3.121 RESID 187 (A): C 178.713 178.713 179.877 -1.164 RESID 187 (A): CA 55.520 55.520 54.752 0.768 RESID 187 (A): CB 18.097 18.097 18.661 -0.564 RESID 187 (A): H 7.322 7.322 7.765 -0.443 RESID 188 (I): N 119.319 119.319 119.263 0.056 RESID 188 (I): C 176.634 176.634 177.303 -0.669 RESID 188 (I): CA 64.225 64.225 64.707 -0.482 RESID 188 (I): CB 37.658 37.658 38.342 -0.684 RESID 188 (I): H 7.779 7.779 7.726 0.053 RESID 189 (V): N 117.265 117.265 117.844 -0.579 RESID 189 (V): C 177.529 177.529 177.539 -0.010 RESID 189 (V): CA 65.562 65.562 66.709 -1.147 RESID 189 (V): CB 31.407 31.407 31.117 0.290 RESID 189 (V): H 7.776 7.776 7.738 0.038 RESID 190 (N): N 118.736 118.736 120.056 -1.320 RESID 190 (N): C 176.476 176.476 177.286 -0.810 RESID 190 (N): CA 56.813 56.813 56.086 0.727 RESID 190 (N): CB 38.268 38.268 38.157 0.111 RESID 190 (N): H 7.800 7.800 7.857 -0.057 RESID 191 (C): N 120.152 120.152 120.004 0.148 RESID 191 (C): C 175.831 175.831 176.628 -0.797 RESID 191 (C): CA 60.293 60.293 63.184 -2.891 RESID 191 (C): CB 41.566 41.566 27.615 13.951 RESID 191 (C): H 7.784 7.784 7.990 -0.206 RESID 192 (A): N 121.963 121.963 122.121 -0.158 RESID 192 (A): C 178.395 178.395 179.292 -0.897 RESID 192 (A): CA 55.280 55.280 55.101 0.179 RESID 192 (A): CB 18.008 18.008 18.158 -0.150 RESID 192 (A): H 8.141 8.141 8.699 -0.558 RESID 193 (E): N 114.548 114.548 120.034 -5.486 RESID 193 (E): C 176.764 176.764 179.354 -2.590 RESID 193 (E): CA 58.262 58.262 59.408 -1.146 RESID 193 (E): CB 29.342 29.342 29.648 -0.306 RESID 193 (E): H 7.595 7.595 8.372 -0.777 RESID 194 (L): N 117.659 117.659 119.419 -1.760 RESID 194 (L): C 176.904 176.904 178.865 -1.961 RESID 194 (L): CA 55.695 55.695 58.083 -2.388 RESID 194 (L): CB 41.655 41.655 41.566 0.089 RESID 194 (L): H 7.459 7.459 8.206 -0.747 RESID 195 (V): N 117.842 117.842 118.259 -0.417 RESID 195 (V): C 177.150 177.150 178.526 -1.376 RESID 195 (V): CA 64.054 64.054 66.152 -2.098 RESID 195 (V): CB 31.079 31.079 31.034 0.045 RESID 195 (V): H 7.363 7.363 7.467 -0.104 RESID 196 (T): N 122.439 122.439 114.952 7.487 RESID 196 (T): C 175.055 175.055 176.834 -1.779 RESID 196 (T): CA 65.500 65.500 66.467 -0.967 RESID 196 (T): CB 69.490 69.490 68.947 0.543 RESID 196 (T): H 7.940 7.940 7.733 0.207 RESID 197 (Y): N 122.430 122.430 123.030 -0.600 RESID 197 (Y): C 177.152 177.152 177.354 -0.202 RESID 197 (Y): CA 61.892 61.892 62.387 -0.495 RESID 197 (Y): CB 38.085 38.085 38.405 -0.320 RESID 197 (Y): H 9.123 9.123 8.804 0.319 RESID 198 (D): N 117.750 117.750 118.914 -1.164 RESID 198 (D): C 177.696 177.696 178.470 -0.774 RESID 198 (D): CA 57.822 57.822 57.596 0.226 RESID 198 (D): CB 40.500 40.500 40.163 0.337 RESID 198 (D): H 8.263 8.263 7.896 0.367 RESID 199 (L): N 120.698 120.698 119.436 1.262 RESID 199 (L): C 180.104 180.104 178.932 1.172 RESID 199 (L): CA 58.092 58.092 57.764 0.328 RESID 199 (L): CB 42.559 42.559 41.800 0.759 RESID 199 (L): H 7.636 7.636 7.453 0.183 RESID 200 (I): N 121.136 121.136 118.956 2.180 RESID 200 (I): C 176.919 176.919 178.123 -1.204 RESID 200 (I): CA 65.482 65.482 64.700 0.783 RESID 200 (I): CB 37.949 37.949 37.153 0.796 RESID 200 (I): H 7.718 7.718 7.174 0.544 RESID 201 (K): N 120.587 120.587 118.509 2.078 RESID 201 (K): C 177.696 177.696 178.591 -0.895 RESID 201 (K): CA 60.683 60.683 58.778 1.905 RESID 201 (K): CB 31.809 31.809 31.999 -0.190 RESID 201 (K): H 8.291 8.291 7.595 0.696 RESID 202 (D): N 117.936 117.936 116.502 1.434 RESID 202 (D): C 178.395 178.395 176.917 1.478 RESID 202 (D): CA 57.672 57.672 56.185 1.486 RESID 202 (D): CB 41.355 41.355 41.099 0.256 RESID 202 (D): H 8.182 8.182 7.721 0.461 RESID 203 (T): N 115.914 115.914 114.171 1.743 RESID 203 (T): CA 61.190 61.190 61.953 -0.763 RESID 203 (T): CB 68.738 68.738 69.427 -0.689 RESID 203 (T): H 7.690 7.690 7.527 0.163 RESID 204 (L): C 176.047 176.047 175.089 0.958 RESID 204 (L): H 8.051 8.051 8.867 -0.816 RESID 205 (L): N 118.768 118.768 116.885 1.883 RESID 205 (L): C 179.871 179.871 177.310 2.561 RESID 205 (L): CA 55.867 55.867 53.995 1.873 RESID 205 (L): CB 41.887 41.887 41.734 0.153 RESID 205 (L): H 7.977 7.977 7.753 0.224 RESID 206 (K): N 119.775 119.775 119.258 0.517 RESID 206 (K): C 177.318 177.318 176.468 0.850 RESID 206 (K): CA 58.461 58.461 58.201 0.260 RESID 206 (K): CB 32.734 32.734 32.743 -0.009 RESID 206 (K): H 7.677 7.677 8.188 -0.511 RESID 207 (A): N 120.757 120.757 119.258 1.499 RESID 207 (A): C 176.531 176.531 176.045 0.486 RESID 207 (A): CA 53.083 53.083 52.015 1.068 RESID 207 (A): CB 18.960 18.960 18.639 0.321 RESID 207 (A): H 7.565 7.565 7.848 -0.283 RESID 208 (N): N 115.463 115.463 116.362 -0.899 RESID 208 (N): C 174.822 174.822 174.225 0.597 RESID 208 (N): CA 54.351 54.351 54.083 0.268 RESID 208 (N): CB 38.160 38.160 36.771 1.389 RESID 208 (N): H 7.936 7.936 8.225 -0.289 RESID 212 (D): C 174.735 174.735 174.835 -0.100 RESID 213 (D): N 116.363 116.363 120.642 -4.279 RESID 213 (D): C 175.553 175.553 176.746 -1.193 RESID 213 (D): CA 54.890 54.890 54.055 0.835 RESID 213 (D): CB 38.846 38.846 41.738 -2.892 RESID 213 (D): H 8.129 8.129 8.029 0.100 RESID 214 (L): N 119.486 119.486 121.375 -1.889 RESID 214 (L): CA 59.766 59.766 59.067 0.699 RESID 214 (L): CB 39.579 39.579 39.632 -0.053 RESID 214 (L): H 7.821 7.821 8.318 -0.497 RESID 215 (P): C 177.971 177.971 178.453 -0.482 RESID 215 (P): CA 65.938 65.938 65.698 0.240 RESID 215 (P): CB 30.006 30.006 30.971 -0.966 RESID 216 (C): N 114.211 114.211 115.570 -1.359 RESID 216 (C): C 176.142 176.142 176.712 -0.570 RESID 216 (C): CA 58.773 58.773 63.387 -4.614 RESID 216 (C): CB 40.906 40.906 27.590 13.316 RESID 216 (C): H 8.269 8.269 8.025 0.244 RESID 217 (H): N 120.491 120.491 120.147 0.344 RESID 217 (H): C 176.747 176.747 177.154 -0.407 RESID 217 (H): CA 57.198 57.198 59.444 -2.247 RESID 217 (H): CB 29.886 29.886 29.842 0.044 RESID 217 (H): H 7.301 7.301 7.356 -0.055 RESID 218 (F): N 120.501 120.501 117.938 2.563 RESID 218 (F): C 176.187 176.187 178.001 -1.814 RESID 218 (F): CA 59.045 59.045 59.825 -0.780 RESID 218 (F): CB 38.901 38.901 37.970 0.931 RESID 218 (F): H 8.127 8.127 7.510 0.617 RESID 219 (T): N 112.682 112.682 113.000 -0.318 RESID 219 (T): C 175.997 175.997 177.193 -1.196 RESID 219 (T): CA 64.319 64.319 66.558 -2.239 RESID 219 (T): CB 63.282 63.282 68.317 -5.035 RESID 219 (T): H 7.977 7.977 8.014 -0.037 RESID 220 (S): N 117.589 117.589 118.428 -0.839 RESID 220 (S): C 175.055 175.055 176.543 -1.488 RESID 220 (S): CA 61.344 61.344 61.698 -0.354 RESID 220 (S): CB 63.440 63.440 62.534 0.906 RESID 220 (S): H 8.004 8.004 7.704 0.300 RESID 221 (A): N 123.860 123.860 124.423 -0.563 RESID 221 (A): C 177.618 177.618 179.260 -1.642 RESID 221 (A): CA 53.932 53.932 54.942 -1.010 RESID 221 (A): CB 18.891 18.891 18.272 0.619 RESID 221 (A): H 7.704 7.704 7.602 0.102 RESID 222 (F): N 116.073 116.073 119.892 -3.819 RESID 222 (F): C 176.142 176.142 177.783 -1.641 RESID 222 (F): CA 58.271 58.271 61.246 -2.975 RESID 222 (F): CB 39.554 39.554 39.153 0.401 RESID 222 (F): H 7.718 7.718 8.340 -0.622 RESID 223 (G): N 108.578 108.578 106.257 2.321 RESID 223 (G): C 173.889 173.889 175.616 -1.727 RESID 223 (G): CA 45.993 45.993 47.113 -1.120 RESID 223 (G): H 7.909 7.909 8.131 -0.222 RESID 224 (A): N 123.322 123.322 124.467 -1.145 RESID 224 (A): C 178.550 178.550 179.819 -1.269 RESID 224 (A): CA 53.608 53.608 54.707 -1.099 RESID 224 (A): CB 19.069 19.069 18.320 0.749 RESID 224 (A): H 8.018 8.018 7.910 0.108 RESID 225 (G): N 107.935 107.935 107.663 0.272 RESID 225 (G): C 175.389 175.389 175.598 -0.209 RESID 225 (G): CA 46.967 46.967 46.874 0.093 RESID 225 (G): H 8.304 8.304 8.677 -0.373 RESID 226 (F): N 122.440 122.440 122.821 -0.381 RESID 226 (F): C 176.998 176.998 177.239 -0.241 RESID 226 (F): CA 60.673 60.673 60.641 0.032 RESID 226 (F): CB 38.319 38.319 39.411 -1.092 RESID 226 (F): H 8.045 8.045 7.959 0.086 RESID 227 (C): N 116.562 116.562 117.358 -0.796 RESID 227 (C): CA 61.301 61.301 62.242 -0.942 RESID 227 (C): CB 41.286 41.286 26.238 15.048 RESID 227 (C): H 8.016 8.016 7.736 0.280 RESID 228 (T): C 176.437 176.437 176.446 -0.009 RESID 228 (T): H 8.410 8.410 8.489 -0.079 RESID 229 (T): N 115.234 115.234 118.105 -2.871 RESID 229 (T): C 176.749 176.749 175.945 0.804 RESID 229 (T): CA 65.980 65.980 67.246 -1.266 RESID 229 (T): CB 67.443 67.443 68.392 -0.949 RESID 229 (T): H 8.188 8.188 8.252 -0.064 RESID 230 (V): N 120.723 120.723 120.313 0.410 RESID 230 (V): C 177.983 177.983 177.220 0.763 RESID 230 (V): CA 66.832 66.832 65.600 1.232 RESID 230 (V): CB 31.168 31.168 31.048 0.120 RESID 230 (V): H 8.027 8.027 7.298 0.729 RESID 231 (I): N 120.541 120.541 119.708 0.833 RESID 231 (I): C 177.368 177.368 177.047 0.321 RESID 231 (I): CA 65.575 65.575 64.445 1.129 RESID 231 (I): CB 37.722 37.722 38.042 -0.320 RESID 231 (I): H 8.458 8.458 7.311 1.147 RESID 232 (A): N 122.766 122.766 121.017 1.749 RESID 232 (A): C 178.847 178.847 179.296 -0.449 RESID 232 (A): CA 55.252 55.252 54.670 0.582 RESID 232 (A): CB 17.874 17.874 18.214 -0.340 RESID 232 (A): H 8.589 8.589 8.038 0.551 RESID 233 (S): N 113.387 113.387 114.507 -1.120 RESID 233 (S): CA 62.348 62.348 62.606 -0.258 RESID 233 (S): CB 61.630 61.630 61.599 0.031 RESID 233 (S): H 8.218 8.218 8.005 0.213 RESID 234 (P): C 178.221 178.221 178.349 -0.128 RESID 235 (V): N 116.087 116.087 115.004 1.083 RESID 235 (V): C 177.089 177.089 177.639 -0.550 RESID 235 (V): CA 65.072 65.072 65.783 -0.711 RESID 235 (V): CB 31.084 31.084 30.739 0.345 RESID 235 (V): H 8.142 8.142 7.394 0.748 RESID 236 (D): N 121.556 121.556 121.690 -0.134 RESID 236 (D): C 177.422 177.422 178.998 -1.576 RESID 236 (D): CA 57.135 57.135 57.207 -0.072 RESID 236 (D): CB 40.065 40.065 40.163 -0.098 RESID 236 (D): H 7.932 7.932 7.364 0.568 RESID 237 (V): N 117.233 117.233 119.839 -2.606 RESID 237 (V): CA 64.977 64.977 66.356 -1.379 RESID 237 (V): CB 31.013 31.013 31.896 -0.883 RESID 237 (V): H 7.710 7.710 8.145 -0.435 RESID 238 (V): C 177.584 177.584 177.167 0.417 RESID 238 (V): H 7.607 7.607 7.762 -0.155 RESID 239 (K): N 120.095 120.095 120.741 -0.646 RESID 239 (K): C 178.678 178.678 178.686 -0.008 RESID 239 (K): CA 58.483 58.483 59.020 -0.537 RESID 239 (K): CB 31.863 31.863 32.727 -0.864 RESID 239 (K): H 7.761 7.761 7.647 0.114 RESID 240 (T): N 115.247 115.247 114.805 0.442 RESID 240 (T): C 175.093 175.093 175.234 -0.141 RESID 240 (T): CA 66.458 66.458 65.247 1.211 RESID 240 (T): CB 68.011 68.011 69.180 -1.169 RESID 240 (T): H 7.761 7.761 7.556 0.205 RESID 241 (R): N 119.633 119.633 120.602 -0.969 RESID 241 (R): CA 57.133 57.133 58.043 -0.910 RESID 241 (R): CB 31.218 31.218 30.107 1.111 RESID 241 (R): H 7.383 7.383 7.555 -0.172 RESID 242 (Y): C 174.956 174.956 175.102 -0.146 RESID 242 (Y): H 8.699 8.699 8.258 0.441 RESID 243 (M): N 118.458 118.458 120.119 -1.661 RESID 243 (M): C 175.676 175.676 175.707 -0.031 RESID 243 (M): CA 54.417 54.417 55.514 -1.097 RESID 243 (M): H 7.442 7.442 8.666 -1.224 RESID 244 (N): N 116.369 116.369 121.312 -4.943 RESID 244 (N): C 174.919 174.919 174.164 0.755 RESID 244 (N): CA 59.470 59.470 53.165 6.305 RESID 244 (N): CB 39.079 39.079 39.294 -0.215 RESID 244 (N): H 7.772 7.772 8.098 -0.326 RESID 245 (S): N 114.568 114.568 118.712 -4.144 RESID 245 (S): C 175.695 175.695 174.780 0.915 RESID 245 (S): CA 53.852 53.852 58.746 -4.894 RESID 245 (S): CB 61.232 61.232 62.396 -1.164 RESID 245 (S): H 8.475 8.475 8.170 0.305 RESID 246 (A): N 127.283 127.283 124.535 2.748 RESID 246 (A): C 177.128 177.128 177.003 0.125 RESID 246 (A): CA 56.803 56.803 53.295 3.508 RESID 246 (A): CB 18.901 18.901 19.017 -0.116 RESID 246 (A): H 7.929 7.929 8.369 -0.440 RESID 247 (L): N 118.112 118.112 115.319 2.793 RESID 247 (L): C 176.723 176.723 177.705 -0.982 RESID 247 (L): CA 54.156 54.156 54.483 -0.327 RESID 247 (L): CB 41.215 41.215 43.267 -2.052 RESID 247 (L): H 7.922 7.922 8.144 -0.222 RESID 248 (G): N 107.203 107.203 105.421 1.782 RESID 248 (G): CA 44.558 44.558 45.332 -0.774 RESID 248 (G): H 8.318 8.318 8.528 -0.210 RESID 250 (Y): C 175.942 175.942 175.540 0.402 RESID 250 (Y): H 8.134 8.134 8.739 -0.605 RESID 251 (H): N 123.281 123.281 119.993 3.288 RESID 251 (H): C 174.531 174.531 174.643 -0.112 RESID 251 (H): CA 58.931 58.931 57.778 1.153 RESID 251 (H): CB 29.525 29.525 30.337 -0.812 RESID 251 (H): H 8.184 8.184 8.486 -0.302 RESID 252 (S): N 110.038 110.038 111.374 -1.336 RESID 252 (S): C 174.429 174.429 174.413 0.016 RESID 252 (S): CA 57.452 57.452 57.520 -0.068 RESID 252 (S): CB 65.022 65.022 64.625 0.397 RESID 252 (S): H 8.010 8.010 7.896 0.114 RESID 253 (A): N 123.034 123.034 124.541 -1.507 RESID 253 (A): C 179.249 179.249 179.371 -0.122 RESID 253 (A): CA 54.981 54.981 54.582 0.399 RESID 253 (A): CB 19.069 19.069 18.951 0.118 RESID 253 (A): H 8.034 8.034 8.828 -0.794 RESID 254 (G): N 106.379 106.379 105.840 0.539 RESID 254 (G): C 174.433 174.433 175.547 -1.114 RESID 254 (G): CA 47.615 47.615 46.978 0.637 RESID 254 (G): H 8.427 8.427 8.646 -0.219 RESID 255 (H): N 121.119 121.119 120.930 0.189 RESID 255 (H): C 178.084 178.084 176.617 1.467 RESID 255 (H): CA 60.144 60.144 59.139 1.005 RESID 255 (H): CB 33.073 33.073 29.986 3.087 RESID 255 (H): H 8.304 8.304 8.040 0.264 RESID 256 (C): N 117.946 117.946 118.957 -1.011 RESID 256 (C): C 175.453 175.453 176.488 -1.035 RESID 256 (C): CA 58.668 58.668 61.886 -3.218 RESID 256 (C): CB 41.434 41.434 26.632 14.802 RESID 256 (C): H 8.168 8.168 7.794 0.374 RESID 257 (A): N 123.138 123.138 122.332 0.806 RESID 257 (A): C 179.489 179.489 179.499 -0.010 RESID 257 (A): CA 54.589 54.589 54.976 -0.387 RESID 257 (A): CB 17.675 17.675 18.372 -0.698 RESID 257 (A): H 7.932 7.932 7.431 0.501 RESID 258 (L): N 119.779 119.779 117.826 1.953 RESID 258 (L): C 178.234 178.234 179.399 -1.165 RESID 258 (L): CA 56.967 56.967 57.784 -0.817 RESID 258 (L): CB 41.067 41.067 40.805 0.262 RESID 258 (L): H 7.681 7.681 7.649 0.032 RESID 259 (T): N 114.552 114.552 113.396 1.156 RESID 259 (T): C 176.244 176.244 176.800 -0.556 RESID 259 (T): CA 66.511 66.511 66.140 0.371 RESID 259 (T): CB 67.274 67.274 68.746 -1.472 RESID 259 (T): H 7.855 7.855 7.930 -0.075 RESID 260 (M): N 118.862 118.862 120.971 -2.109 RESID 260 (M): C 177.094 177.094 177.456 -0.362 RESID 260 (M): CA 58.532 58.532 58.997 -0.465 RESID 260 (M): CB 32.288 32.288 32.419 -0.131 RESID 260 (M): H 8.296 8.296 8.202 0.094 RESID 261 (L): N 116.839 116.839 118.213 -1.374 RESID 261 (L): C 178.162 178.162 179.390 -1.228 RESID 261 (L): CA 58.167 58.167 57.115 1.052 RESID 261 (L): CB 42.202 42.202 41.827 0.375 RESID 261 (L): H 8.053 8.053 7.435 0.618 RESID 262 (R): N 116.821 116.821 118.210 -1.389 RESID 262 (R): CA 58.761 58.761 58.228 0.533 RESID 262 (R): CB 30.825 30.825 30.600 0.225 RESID 262 (R): H 7.827 7.827 7.548 0.279 RESID 266 (P): C 177.152 177.152 178.048 -0.896 RESID 266 (P): CA 65.152 65.152 64.516 0.636 RESID 267 (R): N 117.739 117.739 118.484 -0.745 RESID 267 (R): C 177.463 177.463 177.637 -0.174 RESID 267 (R): CA 59.335 59.335 58.968 0.367 RESID 267 (R): CB 30.185 30.185 29.591 0.594 RESID 267 (R): H 8.072 8.072 8.227 -0.155 RESID 268 (A): N 121.709 121.709 121.722 -0.013 RESID 268 (A): C 179.251 179.251 179.739 -0.488 RESID 268 (A): CA 54.631 54.631 54.816 -0.185 RESID 268 (A): CB 18.683 18.683 18.209 0.474 RESID 268 (A): H 7.963 7.963 8.103 -0.140 RESID 269 (F): N 117.096 117.096 117.652 -0.556 RESID 269 (F): C 175.987 175.987 177.052 -1.065 RESID 269 (F): CA 61.037 61.037 61.590 -0.553 RESID 269 (F): CB 38.637 38.637 38.835 -0.198 RESID 269 (F): H 7.832 7.832 7.834 -0.002 RESID 270 (Y): N 118.496 118.496 118.561 -0.065 RESID 270 (Y): C 176.250 176.250 176.822 -0.572 RESID 270 (Y): CA 60.116 60.116 60.281 -0.165 RESID 270 (Y): CB 38.882 38.882 38.753 0.129 RESID 270 (Y): H 7.813 7.813 7.597 0.216 RESID 271 (K): N 119.458 119.458 119.365 0.093 RESID 271 (K): C 177.696 177.696 176.224 1.472 RESID 271 (K): CA 57.192 57.192 57.361 -0.169 RESID 271 (K): CB 32.734 32.734 32.827 -0.093 RESID 271 (K): H 7.864 7.864 7.779 0.085 RESID 272 (G): N 106.217 106.217 105.763 0.454 RESID 272 (G): C 173.967 173.967 173.652 0.315 RESID 272 (G): CA 46.117 46.117 45.980 0.137 RESID 272 (G): H 7.622 7.622 8.296 -0.674 RESID 273 (F): N 118.847 118.847 117.793 1.054 RESID 273 (F): C 175.055 175.055 175.241 -0.186 RESID 273 (F): CA 57.721 57.721 57.615 0.106 RESID 273 (F): CB 40.183 40.183 38.951 1.232 RESID 273 (F): H 7.677 7.677 7.405 0.272 RESID 277 (F): C 176.602 176.602 177.011 -0.409 RESID 277 (F): CA 61.838 61.838 61.874 -0.036 RESID 277 (F): CB 39.537 39.537 39.155 0.382 RESID 277 (F): H 7.695 7.695 7.985 -0.290 RESID 278 (L): N 118.465 118.465 119.291 -0.826 RESID 278 (L): C 177.152 177.152 178.901 -1.749 RESID 278 (L): CA 56.115 56.115 58.486 -2.370 RESID 278 (L): CB 42.398 42.398 41.472 0.926 RESID 278 (L): H 8.104 8.104 7.727 0.377 RESID 279 (R): N 118.749 118.749 119.036 -0.287 RESID 279 (R): C 176.608 176.608 178.950 -2.342 RESID 279 (R): CA 56.938 56.938 59.511 -2.573 RESID 279 (R): CB 30.659 30.659 29.941 0.718 RESID 279 (R): H 7.472 7.472 7.714 -0.242 RESID 280 (L): N 120.305 120.305 120.414 -0.109 RESID 280 (L): C 177.540 177.540 178.427 -0.887 RESID 280 (L): CA 57.094 57.094 58.257 -1.163 RESID 280 (L): CB 42.027 42.027 41.429 0.598 RESID 280 (L): H 7.690 7.690 8.323 -0.633 RESID 281 (G): N 106.837 106.837 106.275 0.562 RESID 281 (G): C 174.045 174.045 176.094 -2.049 RESID 281 (G): CA 46.967 46.967 47.377 -0.410 RESID 281 (G): H 7.881 7.881 7.825 0.056 RESID 282 (S): N 115.531 115.531 118.572 -3.041 RESID 282 (S): C 174.123 174.123 176.225 -2.102 RESID 282 (S): CA 58.796 58.796 62.004 -3.208 RESID 282 (S): CB 58.975 58.975 62.956 -3.981 RESID 282 (S): H 7.813 7.813 7.584 0.229 RESID 283 (W): N 122.851 122.851 123.816 -0.965 RESID 283 (W): C 176.142 176.142 177.396 -1.254 RESID 283 (W): CA 59.221 59.221 61.669 -2.448 RESID 283 (W): CB 30.446 30.446 29.456 0.990 RESID 283 (W): H 8.186 8.186 8.655 -0.469 RESID 284 (N): N 118.459 118.459 117.888 0.571 RESID 284 (N): CA 55.325 55.325 56.141 -0.816 RESID 284 (N): CB 39.504 39.504 38.297 1.207 RESID 284 (N): H 8.127 8.127 8.038 0.089 RESID 285 (V): C 177.263 177.263 177.217 0.046 RESID 285 (V): H 7.854 7.854 7.433 0.421 RESID 286 (V): N 119.883 119.883 117.963 1.920 RESID 286 (V): C 177.072 177.072 177.494 -0.422 RESID 286 (V): CA 64.717 64.717 65.640 -0.923 RESID 286 (V): CB 29.553 29.553 30.928 -1.375 RESID 286 (V): H 7.483 7.483 7.186 0.297 RESID 287 (M): N 120.401 120.401 120.191 0.210 RESID 287 (M): C 177.594 177.594 178.032 -0.438 RESID 287 (M): CA 57.654 57.654 57.647 0.007 RESID 287 (M): CB 31.592 31.592 32.011 -0.419 RESID 287 (M): H 8.118 8.118 7.081 1.037 RESID 288 (F): N 122.234 122.234 119.665 2.569 RESID 288 (F): C 176.498 176.498 177.421 -0.923 RESID 288 (F): CA 61.766 61.766 61.825 -0.060 RESID 288 (F): CB 39.031 39.031 39.062 -0.031 RESID 288 (F): H 7.878 7.878 7.767 0.111 RESID 289 (V): N 118.907 118.907 118.512 0.395 RESID 289 (V): CA 64.566 64.566 66.774 -2.208 RESID 289 (V): CB 30.544 30.544 31.212 -0.668 RESID 289 (V): H 7.913 7.913 7.741 0.172 RESID 290 (T): C 175.376 175.376 176.750 -1.374 RESID 290 (T): H 8.095 8.095 7.524 0.571 RESID 291 (Y): N 118.029 118.029 121.783 -3.754 RESID 291 (Y): C 176.919 176.919 177.629 -0.710 RESID 291 (Y): CA 61.717 61.717 61.910 -0.193 RESID 291 (Y): CB 38.020 38.020 37.710 0.310 RESID 291 (Y): H 7.986 7.986 7.628 0.358 RESID 292 (E): N 118.005 118.005 119.452 -1.447 RESID 292 (E): C 176.686 176.686 178.910 -2.224 RESID 292 (E): CA 60.084 60.084 59.891 0.193 RESID 292 (E): CB 29.443 29.443 29.264 0.179 RESID 292 (E): H 8.359 8.359 8.188 0.171 RESID 293 (Q): N 118.746 118.746 118.192 0.554 RESID 293 (Q): C 176.210 176.210 178.353 -2.143 RESID 293 (Q): CA 58.986 58.986 58.394 0.592 RESID 293 (Q): CB 28.784 28.784 28.675 0.109 RESID 293 (Q): H 7.704 7.704 7.603 0.101 RESID 294 (L): N 120.970 120.970 119.070 1.900 RESID 294 (L): C 178.084 178.084 178.211 -0.127 RESID 294 (L): CA 58.741 58.741 56.920 1.821 RESID 294 (L): CB 41.451 41.451 41.205 0.246 RESID 294 (L): H 7.995 7.995 7.484 0.511 RESID 295 (K): N 117.756 117.756 116.629 1.127 RESID 295 (K): CA 59.048 59.048 58.119 0.929 RESID 295 (K): CB 31.871 31.871 33.092 -1.221 RESID 295 (K): H 7.731 7.731 8.001 -0.270 RESID 296 (R): H 7.895 7.895 8.039 -0.144 RESID 297 (A): C 176.488 176.488 176.315 0.173 RESID 297 (A): H 8.223 8.223 8.523 -0.300 RESID 298 (L): N 117.376 117.376 116.233 1.143 RESID 298 (L): C 178.628 178.628 176.025 2.603 RESID 298 (L): CA 58.217 58.217 54.563 3.654 RESID 298 (L): CB 41.905 41.905 43.129 -1.224 RESID 298 (L): H 7.947 7.947 7.687 0.260 RESID 299 (M): N 127.376 127.376 120.103 7.273 RESID 299 (M): C 178.472 178.472 174.665 3.807 RESID 299 (M): CA 58.461 58.461 56.390 2.071 RESID 299 (M): CB 32.110 32.110 32.829 -0.719 RESID 299 (M): H 8.182 8.182 8.395 -0.213 RESID 300 (A): N 121.854 121.854 124.268 -2.414 RESID 300 (A): C 180.197 180.197 175.931 4.266 RESID 300 (A): CA 55.617 55.617 52.722 2.895 RESID 300 (A): CB 18.215 18.215 19.936 -1.721 RESID 300 (A): H 7.841 7.841 8.010 -0.169 RESID 301 (A): N 121.224 121.224 127.244 -6.020 RESID 301 (A): C 178.939 178.939 178.145 0.794 RESID 301 (A): CA 55.186 55.186 54.533 0.652 RESID 301 (A): CB 18.735 18.735 18.937 -0.202 RESID 301 (A): H 7.872 7.872 8.764 -0.892 RESID 302 (Y): N 118.183 118.183 119.897 -1.714 RESID 302 (Y): C 176.841 176.841 177.721 -0.880 RESID 302 (Y): CA 60.868 60.868 61.244 -0.376 RESID 302 (Y): CB 39.344 39.344 38.068 1.276 RESID 302 (Y): H 8.100 8.100 8.503 -0.403 RESID 303 (Q): N 117.243 117.243 118.283 -1.040 RESID 303 (Q): C 176.997 176.997 178.424 -1.427 RESID 303 (Q): CA 58.787 58.787 59.046 -0.259 RESID 303 (Q): CB 29.216 29.216 27.991 1.225 RESID 303 (Q): H 8.059 8.059 8.580 -0.521 RESID 304 (S): N 114.721 114.721 114.824 -0.103 RESID 304 (S): C 174.511 174.511 176.044 -1.533 RESID 304 (S): CA 59.720 59.720 61.854 -2.134 RESID 304 (S): CB 63.896 63.896 63.189 0.707 RESID 304 (S): H 7.718 7.718 7.883 -0.165 RESID 305 (R): N 121.401 121.401 119.813 1.588 RESID 305 (R): C 175.521 175.521 177.766 -2.245 RESID 305 (R): CA 59.639 59.639 58.322 1.317 RESID 305 (R): CB 30.568 30.568 30.321 0.247 RESID 305 (R): H 7.609 7.609 8.079 -0.470 RESID 306 (E): N 120.090 120.090 117.720 2.370 RESID 306 (E): C 177.648 177.648 179.057 -1.409 RESID 306 (E): CA 59.624 59.624 58.697 0.927 RESID 306 (E): CB 30.362 30.362 29.534 0.828 RESID 306 (E): H 7.909 7.909 7.636 0.273 RESID 307 (A): N 121.234 121.234 123.803 -2.569 RESID 307 (A): C 176.014 176.014 176.997 -0.983 RESID 307 (A): CA 56.844 56.844 55.577 1.267 RESID 307 (A): CB 17.735 17.735 16.880 0.855 RESID 307 (A): H 7.760 7.760 7.655 0.105 N HA C CA CB H RESID 16 (K): 0.202 ----- -1.698 0.666 0.274 -0.430 RESID 17 (F): -1.054 ----- -1.809 -0.752 0.835 -0.194 RESID 18 (L): -1.096 ----- -0.434 -1.326 1.134 -0.347 RESID 19 (G): 0.712 ----- -0.562 -1.601 ----- -0.273 RESID 20 (A): 0.473 ----- 0.498 0.132 0.725 0.299 RESID 21 (G): 1.198 ----- -0.314 -0.538 ----- 0.409 RESID 22 (T): 4.146 ----- -0.492 1.279 0.610 -0.330 RESID 23 (A): -0.451 ----- -0.440 0.730 0.272 0.787 RESID 24 (A): -0.586 ----- -0.255 0.093 0.451 -0.411 RESID 25 (C): -0.507 ----- -0.585 -5.303 14.111 0.295 RESID 26 (I): -1.442 ----- 0.039 0.289 -0.097 0.309 RESID 27 (A): -0.382 ----- 0.058 0.179 0.387 0.033 RESID 28 (D): -1.626 ----- -0.573 0.271 -0.073 0.055 RESID 29 (L): -0.198 ----- -0.770 -0.725 0.990 0.363 RESID 30 (I): 0.941 ----- -0.530 -2.959 0.866 0.372 RESID 31 (T): -2.328 ----- -0.863 -1.404 0.285 0.525 RESID 32 (F): -0.270 ----- ----- -5.386 1.902 -0.884 RESID 33 (P): ----- ----- -0.156 -2.566 3.841 ----- RESID 34 (L): 6.836 ----- -1.759 -1.653 1.389 1.402 RESID 35 (D): 3.558 ----- -1.087 -3.271 0.870 0.487 RESID 36 (T): 3.882 ----- 1.029 -1.028 0.598 0.445 RESID 37 (A): 0.959 ----- -0.076 0.107 0.454 0.367 RESID 38 (K): 0.042 ----- -0.032 -0.305 0.782 0.224 RESID 39 (V): 3.721 ----- -0.263 0.797 3.446 0.136 RESID 40 (R): 0.797 ----- -0.458 0.824 -0.258 0.448 RESID 41 (L): -1.848 ----- ----- -0.390 1.473 0.048 RESID 49 (G): ----- ----- -0.740 ----- ----- ----- RESID 50 (L): 0.888 ----- -0.179 -0.151 0.603 0.266 RESID 51 (V): 1.742 ----- -0.470 0.282 -0.319 0.031 RESID 52 (R): 1.654 ----- ----- 0.279 -0.378 -0.006 RESID 53 (T): ----- ----- 0.349 ----- ----- 0.481 RESID 54 (A): -2.146 ----- -0.822 -0.869 -0.799 0.198 RESID 55 (A): -11.422 ----- 0.876 -0.126 -0.079 -1.237 RESID 56 (S): 11.611 ----- 1.422 2.695 -0.555 0.377 RESID 57 (A): -1.240 ----- ----- 0.319 0.022 0.178 RESID 59 (Y): ----- ----- 1.670 ----- ----- ----- RESID 60 (R): 2.634 ----- 1.374 1.362 0.411 -0.331 RESID 61 (G): 1.049 ----- 0.696 1.355 ----- 0.120 RESID 62 (V): -2.819 ----- 0.198 1.595 0.060 -0.361 RESID 63 (L): 1.265 ----- -0.330 0.903 1.141 -0.197 RESID 64 (G): 0.145 ----- 0.201 0.402 ----- 0.363 RESID 65 (T): 3.827 ----- 0.106 1.690 0.568 0.359 RESID 66 (I): 0.038 ----- 0.059 1.688 0.229 0.585 RESID 67 (L): 1.087 ----- 0.432 0.305 -0.156 0.829 RESID 68 (T): 0.339 ----- -0.041 0.548 0.559 0.663 RESID 69 (M): 3.121 ----- -0.466 0.752 0.970 0.322 RESID 70 (V): 4.688 ----- -0.515 1.735 0.057 0.303 RESID 71 (R): 0.447 ----- -1.023 0.654 0.996 0.264 RESID 72 (T): -2.445 ----- -0.671 -0.712 1.395 -0.020 RESID 73 (E): -0.063 ----- 1.379 0.876 -0.337 0.066 RESID 74 (G): 2.182 ----- ----- 0.792 ----- 0.367 RESID 75 (P): ----- ----- -1.362 1.130 0.121 ----- RESID 76 (R): 1.009 ----- 0.092 1.528 -0.166 -0.096 RESID 77 (S): 2.215 ----- 1.800 0.432 -0.356 -0.142 RESID 78 (L): 1.955 ----- 0.154 1.330 -0.193 0.090 RESID 79 (Y): 6.146 ----- 0.958 1.908 -0.156 0.386 RESID 80 (N): -1.387 ----- 2.732 -0.817 -1.082 1.010 RESID 81 (G): -5.382 ----- 0.191 0.722 ----- -0.536 RESID 82 (L): 2.067 ----- 0.429 1.116 0.397 0.580 RESID 83 (V): 0.654 ----- 0.608 -1.291 0.686 -0.185 RESID 84 (A): -1.055 ----- 1.331 0.648 0.067 0.046 RESID 85 (G): -1.026 ----- -0.573 0.496 ----- 0.476 RESID 86 (L): 0.295 ----- -0.489 -0.023 1.208 0.667 RESID 87 (Q): -0.069 ----- -0.509 -1.318 0.406 0.163 RESID 88 (R): -0.927 ----- -0.694 -1.433 0.942 0.288 RESID 89 (Q): -0.009 ----- -0.879 -1.366 0.794 0.283 RESID 90 (M): -1.555 ----- -1.931 -1.649 1.214 -0.550 RESID 91 (S): -0.727 ----- -0.440 -3.625 1.510 -0.058 RESID 92 (F): 0.093 ----- 0.883 -2.335 -0.172 0.759 RESID 93 (A): 3.654 ----- -0.050 0.464 -0.239 0.574 RESID 94 (S): -2.258 ----- 0.084 -1.186 0.197 0.484 RESID 95 (V): -0.353 ----- -0.126 -1.241 -0.040 -0.773 RESID 96 (R): 2.329 ----- -0.253 1.026 1.233 0.732 RESID 97 (I): 1.256 ----- 0.465 0.603 0.370 0.405 RESID 98 (G): 2.276 ----- 1.179 0.815 ----- 0.559 RESID 99 (L): 0.679 ----- -0.244 1.224 0.691 0.442 RESID 100 (Y): -0.532 ----- -0.020 -0.703 0.350 0.157 RESID 101 (D): 0.178 ----- 0.403 0.200 0.386 -0.110 RESID 102 (S): 0.333 ----- -0.071 1.282 1.236 0.182 RESID 103 (V): 0.195 ----- 0.717 1.895 0.200 0.489 RESID 104 (K): 1.137 ----- -0.039 0.431 -0.275 0.486 RESID 105 (Q): 0.877 ----- -1.145 0.772 -0.307 -0.183 RESID 106 (F): 0.824 ----- -0.007 0.285 0.546 0.154 RESID 107 (Y): 2.512 ----- -0.593 2.619 -0.352 0.708 RESID 108 (T): -0.879 ----- 0.611 1.585 1.133 0.350 RESID 113 (H): ----- ----- -0.539 ----- ----- -0.511 RESID 114 (A): -2.200 ----- 1.406 1.098 0.147 0.379 RESID 115 (G): 3.158 ----- -0.156 0.870 ----- 0.163 RESID 116 (I): -0.726 ----- -0.299 -0.708 0.760 -0.033 RESID 117 (G): 3.652 ----- -1.314 -0.582 ----- 0.001 RESID 118 (S): -2.221 ----- -0.770 -0.979 1.535 -0.016 RESID 119 (R): -0.510 ----- -0.133 -1.678 0.535 -0.386 RESID 120 (L): -1.125 ----- -1.442 -0.314 0.299 0.163 RESID 121 (L): -0.477 ----- -1.897 -2.832 0.933 -0.727 RESID 122 (A): 1.499 ----- -1.620 -2.218 1.078 -1.143 RESID 123 (G): 1.240 ----- 0.456 -1.155 ----- -0.770 RESID 124 (S): -2.624 ----- -1.299 -3.094 0.922 -0.417 RESID 125 (T): -2.157 ----- -0.874 -0.196 0.727 -0.273 RESID 126 (T): -0.470 ----- 0.610 -1.225 -0.086 -0.604 RESID 127 (G): 5.796 ----- -0.900 -0.688 ----- -0.117 RESID 128 (A): -1.512 ----- -1.216 -1.176 0.598 0.402 RESID 129 (L): 0.431 ----- -0.595 -1.153 0.835 0.344 RESID 130 (A): 2.401 ----- -1.660 -1.802 0.683 -0.254 RESID 131 (V): 3.283 ----- -1.271 -1.732 1.691 -0.289 RESID 132 (A): 1.256 ----- 0.348 -1.114 0.318 0.300 RESID 133 (V): -4.437 ----- -1.228 0.213 -0.508 -0.363 RESID 134 (A): 2.508 ----- ----- 3.643 ----- -0.209 RESID 136 (P): ----- ----- -1.148 ----- ----- ----- RESID 137 (T): 4.611 ----- -2.196 -1.943 1.996 -0.226 RESID 138 (D): 0.244 ----- -0.060 -0.036 0.473 0.470 RESID 139 (V): -0.073 ----- -0.592 0.177 1.008 -0.025 RESID 140 (V): 3.795 ----- -1.412 -0.164 0.858 0.423 RESID 141 (K): -0.700 ----- -2.805 -3.745 -0.755 0.241 RESID 142 (V): 0.331 ----- ----- -2.348 ----- 0.333 RESID 143 (R): ----- ----- -0.061 ----- ----- -0.133 RESID 144 (F): 0.969 ----- 1.062 0.857 ----- -0.281 RESID 145 (Q): 6.830 ----- -2.740 -1.504 1.718 0.281 RESID 146 (A): -0.041 ----- 0.417 0.253 -0.605 0.518 RESID 147 (Q): 0.793 ----- 1.134 -0.093 0.930 0.503 RESID 148 (A): -3.908 ----- -0.876 0.186 0.172 -0.088 RESID 149 (R): 0.610 ----- ----- 0.219 0.874 -0.476 RESID 159 (T): ----- ----- -0.293 ----- ----- ----- RESID 160 (V): -0.529 ----- 0.534 -1.366 0.709 0.032 RESID 161 (E): 1.205 ----- 0.277 0.432 1.499 -0.493 RESID 162 (A): -0.522 ----- 0.692 0.082 -0.357 -0.440 RESID 163 (Y): -0.744 ----- -0.617 -0.936 -0.890 -0.108 RESID 164 (K): 2.120 ----- -0.951 1.208 0.407 0.558 RESID 165 (T): -0.912 ----- -0.813 -0.214 0.763 -0.502 RESID 166 (I): 3.539 ----- 0.258 0.380 2.165 0.178 RESID 167 (A): -1.362 ----- -1.481 0.050 0.606 0.454 RESID 168 (R): -2.690 ----- -1.082 -0.291 0.826 -0.089 RESID 169 (E): 0.934 ----- -0.783 -0.217 0.344 0.333 RESID 170 (E): 1.388 ----- 0.551 0.512 0.386 0.251 RESID 171 (G): 1.092 ----- -0.448 0.469 ----- 0.212 RESID 172 (I): -0.958 ----- -0.609 0.554 0.665 0.233 RESID 173 (R): -0.883 ----- -0.442 -0.379 0.186 -0.121 RESID 174 (G): 0.066 ----- -0.918 0.134 ----- -0.209 RESID 175 (L): -0.532 ----- -0.061 0.286 0.374 0.228 RESID 176 (W): 0.289 ----- -1.067 -0.020 1.522 -0.503 RESID 177 (K): 0.165 ----- -1.134 -2.256 1.106 0.162 RESID 178 (G): 4.604 ----- -1.546 -0.178 ----- -0.264 RESID 179 (T): -4.651 ----- -1.584 0.225 1.721 -0.057 RESID 180 (S): 1.737 ----- ----- -0.981 0.046 0.152 RESID 182 (N): ----- ----- -0.445 ----- ----- ----- RESID 183 (V): -3.043 ----- -0.457 -0.050 1.205 0.411 RESID 184 (A): 0.660 ----- -1.060 0.126 9.972 0.513 RESID 185 (R): -2.051 ----- -0.699 -0.107 -0.390 -0.329 RESID 186 (N): 0.023 ----- -0.688 0.471 1.154 0.099 RESID 187 (A): -3.121 ----- -1.164 0.768 -0.564 -0.443 RESID 188 (I): 0.056 ----- -0.669 -0.482 -0.684 0.053 RESID 189 (V): -0.579 ----- -0.010 -1.147 0.290 0.038 RESID 190 (N): -1.320 ----- -0.810 0.727 0.111 -0.057 RESID 191 (C): 0.148 ----- -0.797 -2.891 13.951 -0.206 RESID 192 (A): -0.158 ----- -0.897 0.179 -0.150 -0.558 RESID 193 (E): -5.486 ----- -2.590 -1.146 -0.306 -0.777 RESID 194 (L): -1.760 ----- -1.961 -2.388 0.089 -0.747 RESID 195 (V): -0.417 ----- -1.376 -2.098 0.045 -0.104 RESID 196 (T): 7.487 ----- -1.779 -0.967 0.543 0.207 RESID 197 (Y): -0.600 ----- -0.202 -0.495 -0.320 0.319 RESID 198 (D): -1.164 ----- -0.774 0.226 0.337 0.367 RESID 199 (L): 1.262 ----- 1.172 0.328 0.759 0.183 RESID 200 (I): 2.180 ----- -1.204 0.783 0.796 0.544 RESID 201 (K): 2.078 ----- -0.895 1.905 -0.190 0.696 RESID 202 (D): 1.434 ----- 1.478 1.486 0.256 0.461 RESID 203 (T): 1.743 ----- ----- -0.763 -0.689 0.163 RESID 204 (L): ----- ----- 0.958 ----- ----- -0.816 RESID 205 (L): 1.883 ----- 2.561 1.873 0.153 0.224 RESID 206 (K): 0.517 ----- 0.850 0.260 -0.009 -0.511 RESID 207 (A): 1.499 ----- 0.486 1.068 0.321 -0.283 RESID 208 (N): -0.899 ----- 0.597 0.268 1.389 -0.289 RESID 212 (D): ----- ----- -0.100 ----- ----- ----- RESID 213 (D): -4.279 ----- -1.193 0.835 -2.892 0.100 RESID 214 (L): -1.889 ----- ----- 0.699 -0.053 -0.497 RESID 215 (P): ----- ----- -0.482 0.240 -0.966 ----- RESID 216 (C): -1.359 ----- -0.570 -4.614 13.316 0.244 RESID 217 (H): 0.344 ----- -0.407 -2.247 0.044 -0.055 RESID 218 (F): 2.563 ----- -1.814 -0.780 0.931 0.617 RESID 219 (T): -0.318 ----- -1.196 -2.239 -5.035 -0.037 RESID 220 (S): -0.839 ----- -1.488 -0.354 0.906 0.300 RESID 221 (A): -0.563 ----- -1.642 -1.010 0.619 0.102 RESID 222 (F): -3.819 ----- -1.641 -2.975 0.401 -0.622 RESID 223 (G): 2.321 ----- -1.727 -1.120 ----- -0.222 RESID 224 (A): -1.145 ----- -1.269 -1.099 0.749 0.108 RESID 225 (G): 0.272 ----- -0.209 0.093 ----- -0.373 RESID 226 (F): -0.381 ----- -0.241 0.032 -1.092 0.086 RESID 227 (C): -0.796 ----- ----- -0.942 15.048 0.280 RESID 228 (T): ----- ----- -0.009 ----- ----- -0.079 RESID 229 (T): -2.871 ----- 0.804 -1.266 -0.949 -0.064 RESID 230 (V): 0.410 ----- 0.763 1.232 0.120 0.729 RESID 231 (I): 0.833 ----- 0.321 1.129 -0.320 1.147 RESID 232 (A): 1.749 ----- -0.449 0.582 -0.340 0.551 RESID 233 (S): -1.120 ----- ----- -0.258 0.031 0.213 RESID 234 (P): ----- ----- -0.128 ----- ----- ----- RESID 235 (V): 1.083 ----- -0.550 -0.711 0.345 0.748 RESID 236 (D): -0.134 ----- -1.576 -0.072 -0.098 0.568 RESID 237 (V): -2.606 ----- ----- -1.379 -0.883 -0.435 RESID 238 (V): ----- ----- 0.417 ----- ----- -0.155 RESID 239 (K): -0.646 ----- -0.008 -0.537 -0.864 0.114 RESID 240 (T): 0.442 ----- -0.141 1.211 -1.169 0.205 RESID 241 (R): -0.969 ----- ----- -0.910 1.111 -0.172 RESID 242 (Y): ----- ----- -0.146 ----- ----- 0.441 RESID 243 (M): -1.661 ----- -0.031 -1.097 ----- -1.224 RESID 244 (N): -4.943 ----- 0.755 6.305 -0.215 -0.326 RESID 245 (S): -4.144 ----- 0.915 -4.894 -1.164 0.305 RESID 246 (A): 2.748 ----- 0.125 3.508 -0.116 -0.440 RESID 247 (L): 2.793 ----- -0.982 -0.327 -2.052 -0.222 RESID 248 (G): 1.782 ----- ----- -0.774 ----- -0.210 RESID 250 (Y): ----- ----- 0.402 ----- ----- -0.605 RESID 251 (H): 3.288 ----- -0.112 1.153 -0.812 -0.302 RESID 252 (S): -1.336 ----- 0.016 -0.068 0.397 0.114 RESID 253 (A): -1.507 ----- -0.122 0.399 0.118 -0.794 RESID 254 (G): 0.539 ----- -1.114 0.637 ----- -0.219 RESID 255 (H): 0.189 ----- 1.467 1.005 3.087 0.264 RESID 256 (C): -1.011 ----- -1.035 -3.218 14.802 0.374 RESID 257 (A): 0.806 ----- -0.010 -0.387 -0.698 0.501 RESID 258 (L): 1.953 ----- -1.165 -0.817 0.262 0.032 RESID 259 (T): 1.156 ----- -0.556 0.371 -1.472 -0.075 RESID 260 (M): -2.109 ----- -0.362 -0.465 -0.131 0.094 RESID 261 (L): -1.374 ----- -1.228 1.052 0.375 0.618 RESID 262 (R): -1.389 ----- ----- 0.533 0.225 0.279 RESID 266 (P): ----- ----- -0.896 0.636 ----- ----- RESID 267 (R): -0.745 ----- -0.174 0.367 0.594 -0.155 RESID 268 (A): -0.013 ----- -0.488 -0.185 0.474 -0.140 RESID 269 (F): -0.556 ----- -1.065 -0.553 -0.198 -0.002 RESID 270 (Y): -0.065 ----- -0.572 -0.165 0.129 0.216 RESID 271 (K): 0.093 ----- 1.472 -0.169 -0.093 0.085 RESID 272 (G): 0.454 ----- 0.315 0.137 ----- -0.674 RESID 273 (F): 1.054 ----- -0.186 0.106 1.232 0.272 RESID 277 (F): ----- ----- -0.409 -0.036 0.382 -0.290 RESID 278 (L): -0.826 ----- -1.749 -2.370 0.926 0.377 RESID 279 (R): -0.287 ----- -2.342 -2.573 0.718 -0.242 RESID 280 (L): -0.109 ----- -0.887 -1.163 0.598 -0.633 RESID 281 (G): 0.562 ----- -2.049 -0.410 ----- 0.056 RESID 282 (S): -3.041 ----- -2.102 -3.208 -3.981 0.229 RESID 283 (W): -0.965 ----- -1.254 -2.448 0.990 -0.469 RESID 284 (N): 0.571 ----- ----- -0.816 1.207 0.089 RESID 285 (V): ----- ----- 0.046 ----- ----- 0.421 RESID 286 (V): 1.920 ----- -0.422 -0.923 -1.375 0.297 RESID 287 (M): 0.210 ----- -0.438 0.007 -0.419 1.037 RESID 288 (F): 2.569 ----- -0.923 -0.060 -0.031 0.111 RESID 289 (V): 0.395 ----- ----- -2.208 -0.668 0.172 RESID 290 (T): ----- ----- -1.374 ----- ----- 0.571 RESID 291 (Y): -3.754 ----- -0.710 -0.193 0.310 0.358 RESID 292 (E): -1.447 ----- -2.224 0.193 0.179 0.171 RESID 293 (Q): 0.554 ----- -2.143 0.592 0.109 0.101 RESID 294 (L): 1.900 ----- -0.127 1.821 0.246 0.511 RESID 295 (K): 1.127 ----- ----- 0.929 -1.221 -0.270 RESID 296 (R): ----- ----- ----- ----- ----- -0.144 RESID 297 (A): ----- ----- 0.173 ----- ----- -0.300 RESID 298 (L): 1.143 ----- 2.603 3.654 -1.224 0.260 RESID 299 (M): 7.273 ----- 3.807 2.071 -0.719 -0.213 RESID 300 (A): -2.414 ----- 4.266 2.895 -1.721 -0.169 RESID 301 (A): -6.020 ----- 0.794 0.652 -0.202 -0.892 RESID 302 (Y): -1.714 ----- -0.880 -0.376 1.276 -0.403 RESID 303 (Q): -1.040 ----- -1.427 -0.259 1.225 -0.521 RESID 304 (S): -0.103 ----- -1.533 -2.134 0.707 -0.165 RESID 305 (R): 1.588 ----- -2.245 1.317 0.247 -0.470 RESID 306 (E): 2.370 ----- -1.409 0.927 0.828 0.273 RESID 307 (A): -2.569 ----- -0.983 1.267 0.855 0.105 DATA CS_STAT_INFO N RMS: 2.432 ppm Count: 236 Average Difference: -0.220 +/- 2.427 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.100 ppm Count: 239 Average Difference: 0.352 +/- 1.045 ppm DATA CS_STAT_INFO CA RMS: 1.519 ppm Count: 241 Average Difference: 0.186 +/- 1.511 ppm DATA CS_STAT_INFO CB RMS: 2.493 ppm Count: 215 Average Difference: -0.640 +/- 2.415 ppm DATA CS_STAT_INFO HN RMS: 0.426 ppm Count: 249 Average Difference: -0.056 +/- 0.423 ppm ############################################################################ For conformer 4: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 120.859 2.236 RESID 15 (V): C 176.453 176.453 175.901 0.552 RESID 15 (V): CA 63.979 63.979 60.068 3.911 RESID 15 (V): CB 32.507 32.507 34.318 -1.811 RESID 15 (V): H 8.053 8.053 8.017 0.036 RESID 16 (K): N 123.075 123.075 119.952 3.123 RESID 16 (K): C 176.841 176.841 179.010 -2.169 RESID 16 (K): CA 59.762 59.762 59.420 0.342 RESID 16 (K): CB 32.751 32.751 31.941 0.810 RESID 16 (K): H 8.059 8.059 8.773 -0.714 RESID 17 (F): N 118.838 118.838 119.630 -0.792 RESID 17 (F): C 175.443 175.443 177.214 -1.771 RESID 17 (F): CA 59.915 59.915 61.119 -1.204 RESID 17 (F): CB 39.659 39.659 38.756 0.903 RESID 17 (F): H 7.909 7.909 8.109 -0.200 RESID 18 (L): N 119.089 119.089 117.096 1.993 RESID 18 (L): C 177.195 177.195 178.546 -1.351 RESID 18 (L): CA 55.385 55.385 56.880 -1.495 RESID 18 (L): CB 42.905 42.905 40.718 2.187 RESID 18 (L): H 7.814 7.814 7.911 -0.097 RESID 19 (G): N 108.484 108.484 108.461 0.023 RESID 19 (G): C 174.967 174.967 175.498 -0.531 RESID 19 (G): CA 45.518 45.518 47.019 -1.501 RESID 19 (G): H 8.032 8.032 8.180 -0.148 RESID 20 (A): N 124.208 124.208 123.727 0.481 RESID 20 (A): C 179.405 179.405 179.470 -0.065 RESID 20 (A): CA 54.531 54.531 54.381 0.150 RESID 20 (A): CB 18.995 18.995 18.124 0.871 RESID 20 (A): H 8.318 8.318 7.848 0.470 RESID 21 (G): N 108.209 108.209 107.268 0.941 RESID 21 (G): C 175.676 175.676 176.126 -0.450 RESID 21 (G): CA 46.742 46.742 47.312 -0.570 RESID 21 (G): H 8.523 8.523 7.956 0.567 RESID 22 (T): N 119.542 119.542 116.574 2.968 RESID 22 (T): C 175.661 175.661 176.013 -0.352 RESID 22 (T): CA 66.401 66.401 64.819 1.582 RESID 22 (T): CB 68.866 68.866 68.624 0.242 RESID 22 (T): H 7.881 7.881 8.182 -0.301 RESID 23 (A): N 123.431 123.431 123.665 -0.234 RESID 23 (A): C 178.628 178.628 179.049 -0.421 RESID 23 (A): CA 55.480 55.480 55.038 0.442 RESID 23 (A): CB 18.218 18.218 18.033 0.185 RESID 23 (A): H 8.263 8.263 7.386 0.877 RESID 24 (A): N 119.939 119.939 120.836 -0.897 RESID 24 (A): C 179.172 179.172 179.159 0.013 RESID 24 (A): CA 55.038 55.038 55.037 0.001 RESID 24 (A): CB 18.385 18.385 17.974 0.411 RESID 24 (A): H 7.827 7.827 8.156 -0.329 RESID 25 (C): N 116.736 116.736 117.542 -0.806 RESID 25 (C): C 176.220 176.220 176.938 -0.718 RESID 25 (C): CA 58.596 58.596 63.443 -4.847 RESID 25 (C): CB 41.771 41.771 27.446 14.325 RESID 25 (C): H 7.677 7.677 7.426 0.251 RESID 26 (I): N 119.154 119.154 119.653 -0.499 RESID 26 (I): C 176.915 176.915 177.572 -0.657 RESID 26 (I): CA 64.858 64.858 64.950 -0.092 RESID 26 (I): CB 38.090 38.090 37.816 0.274 RESID 26 (I): H 7.899 7.899 7.760 0.139 RESID 27 (A): N 121.116 121.116 121.862 -0.746 RESID 27 (A): C 179.016 179.016 178.821 0.195 RESID 27 (A): CA 55.367 55.367 55.083 0.284 RESID 27 (A): CB 18.385 18.385 18.243 0.142 RESID 27 (A): H 7.909 7.909 8.013 -0.104 RESID 28 (D): N 116.829 116.829 118.056 -1.227 RESID 28 (D): C 177.643 177.643 178.080 -0.437 RESID 28 (D): CA 56.453 56.453 56.426 0.027 RESID 28 (D): CB 41.128 41.128 41.331 -0.203 RESID 28 (D): H 7.554 7.554 7.468 0.086 RESID 29 (L): N 119.672 119.672 121.243 -1.571 RESID 29 (L): C 178.628 178.628 178.991 -0.363 RESID 29 (L): CA 57.144 57.144 58.124 -0.980 RESID 29 (L): CB 43.146 43.146 42.224 0.923 RESID 29 (L): H 7.732 7.732 7.416 0.316 RESID 30 (I): N 113.629 113.629 116.980 -3.351 RESID 30 (I): C 176.456 176.456 176.796 -0.340 RESID 30 (I): CA 60.539 60.539 63.263 -2.724 RESID 30 (I): CB 38.506 38.506 37.230 1.276 RESID 30 (I): H 7.977 7.977 7.606 0.371 RESID 31 (T): N 113.314 113.314 115.575 -2.261 RESID 31 (T): C 174.045 174.045 175.893 -1.848 RESID 31 (T): CA 62.495 62.495 62.841 -0.346 RESID 31 (T): CB 69.898 69.898 69.821 0.077 RESID 31 (T): H 7.738 7.738 7.240 0.498 RESID 32 (F): N 123.409 123.409 123.348 0.061 RESID 32 (F): CA 56.349 56.349 61.611 -5.262 RESID 32 (F): CB 39.148 39.148 36.485 2.663 RESID 32 (F): H 7.609 7.609 8.450 -0.841 RESID 33 (P): C 177.831 177.831 177.595 0.236 RESID 33 (P): CA 62.656 62.656 64.700 -2.044 RESID 33 (P): CB 34.762 34.762 30.773 3.989 RESID 34 (L): N 124.503 124.503 117.300 7.203 RESID 34 (L): C 176.298 176.298 177.952 -1.654 RESID 34 (L): CA 55.545 55.545 57.077 -1.532 RESID 34 (L): CB 43.287 43.287 41.374 1.913 RESID 34 (L): H 8.659 8.659 7.207 1.452 RESID 35 (D): N 121.663 121.663 117.701 3.962 RESID 35 (D): C 177.152 177.152 178.044 -0.892 RESID 35 (D): CA 54.326 54.326 57.045 -2.719 RESID 35 (D): CB 41.154 41.154 39.999 1.155 RESID 35 (D): H 8.236 8.236 7.819 0.417 RESID 36 (T): N 115.977 115.977 111.976 4.001 RESID 36 (T): C 177.088 177.088 176.236 0.852 RESID 36 (T): CA 64.868 64.868 65.500 -0.632 RESID 36 (T): CB 69.053 69.053 68.465 0.588 RESID 36 (T): H 8.127 8.127 7.803 0.324 RESID 37 (A): N 125.063 125.063 124.006 1.057 RESID 37 (A): C 179.143 179.143 179.324 -0.181 RESID 37 (A): CA 55.234 55.234 55.025 0.209 RESID 37 (A): CB 18.735 18.735 18.508 0.227 RESID 37 (A): H 8.042 8.042 7.798 0.244 RESID 38 (K): N 117.827 117.827 118.169 -0.342 RESID 38 (K): C 178.239 178.239 178.501 -0.262 RESID 38 (K): CA 58.861 58.861 59.071 -0.210 RESID 38 (K): CB 32.724 32.724 31.929 0.795 RESID 38 (K): H 7.759 7.759 7.574 0.185 RESID 39 (V): N 118.955 118.955 114.865 4.090 RESID 39 (V): C 177.892 177.892 177.353 0.539 RESID 39 (V): CA 65.478 65.478 64.563 0.915 RESID 39 (V): CB 34.675 34.675 31.415 3.260 RESID 39 (V): H 7.554 7.554 7.409 0.145 RESID 40 (R): N 119.922 119.922 119.046 0.876 RESID 40 (R): C 178.391 178.391 178.780 -0.389 RESID 40 (R): CA 59.648 59.648 57.547 2.101 RESID 40 (R): CB 29.933 29.933 29.756 0.177 RESID 40 (R): H 7.794 7.794 7.529 0.265 RESID 41 (L): N 118.720 118.720 121.545 -2.825 RESID 41 (L): CA 54.749 54.749 55.220 -0.471 RESID 41 (L): CB 40.429 40.429 39.578 0.851 RESID 41 (L): H 7.534 7.534 7.749 -0.215 RESID 49 (G): C 174.779 174.779 174.737 0.042 RESID 50 (L): N 123.029 123.029 120.791 2.238 RESID 50 (L): C 178.482 178.482 177.812 0.670 RESID 50 (L): CA 56.765 56.765 57.407 -0.642 RESID 50 (L): CB 41.673 41.673 41.933 -0.260 RESID 50 (L): H 8.113 8.113 7.991 0.122 RESID 51 (V): N 118.714 118.714 119.087 -0.373 RESID 51 (V): C 178.032 178.032 176.954 1.078 RESID 51 (V): CA 66.037 66.037 65.039 0.998 RESID 51 (V): CB 30.763 30.763 31.904 -1.141 RESID 51 (V): H 7.974 7.974 7.691 0.283 RESID 52 (R): N 121.569 121.569 117.715 3.854 RESID 52 (R): CA 59.167 59.167 58.397 0.770 RESID 52 (R): CB 29.437 29.437 30.312 -0.875 RESID 52 (R): H 8.231 8.231 7.885 0.346 RESID 53 (T): C 175.108 175.108 174.189 0.919 RESID 53 (T): H 7.948 7.948 7.470 0.478 RESID 54 (A): N 121.823 121.823 122.151 -0.328 RESID 54 (A): C 174.922 174.922 174.731 0.191 RESID 54 (A): CA 50.101 50.101 51.573 -1.472 RESID 54 (A): CB 18.950 18.950 21.527 -2.577 RESID 54 (A): H 7.792 7.792 7.815 -0.023 RESID 55 (A): N 113.986 113.986 125.451 -11.465 RESID 55 (A): C 178.007 178.007 177.368 0.639 RESID 55 (A): CA 53.458 53.458 51.046 2.412 RESID 55 (A): CB 18.809 18.809 19.776 -0.968 RESID 55 (A): H 7.333 7.333 8.168 -0.835 RESID 56 (S): N 125.425 125.425 116.687 8.738 RESID 56 (S): C 174.899 174.899 174.382 0.517 RESID 56 (S): CA 59.520 59.520 58.615 0.905 RESID 56 (S): CB 64.051 64.051 62.341 1.710 RESID 56 (S): H 7.786 7.786 8.389 -0.603 RESID 57 (A): N 118.183 118.183 121.667 -3.484 RESID 57 (A): CA 53.783 53.783 52.724 1.060 RESID 57 (A): CB 17.599 17.599 18.012 -0.412 RESID 57 (A): H 8.018 8.018 7.972 0.046 RESID 59 (Y): C 177.662 177.662 176.113 1.549 RESID 60 (R): N 122.798 122.798 122.081 0.717 RESID 60 (R): C 177.956 177.956 176.774 1.182 RESID 60 (R): CA 58.711 58.711 57.523 1.188 RESID 60 (R): CB 30.659 30.659 30.108 0.551 RESID 60 (R): H 8.311 8.311 8.645 -0.334 RESID 61 (G): N 109.033 109.033 106.929 2.104 RESID 61 (G): C 176.064 176.064 175.307 0.757 RESID 61 (G): CA 46.592 46.592 45.318 1.274 RESID 61 (G): H 8.182 8.182 8.052 0.130 RESID 62 (V): N 123.218 123.218 126.252 -3.034 RESID 62 (V): C 177.540 177.540 177.643 -0.103 RESID 62 (V): CA 66.277 66.277 64.720 1.557 RESID 62 (V): CB 32.355 32.355 31.948 0.407 RESID 62 (V): H 8.105 8.105 8.460 -0.355 RESID 63 (L): N 120.295 120.295 119.234 1.061 RESID 63 (L): C 178.628 178.628 179.025 -0.397 RESID 63 (L): CA 58.366 58.366 57.438 0.928 RESID 63 (L): CB 41.675 41.675 40.859 0.816 RESID 63 (L): H 8.182 8.182 8.153 0.029 RESID 64 (G): N 106.013 106.013 106.165 -0.152 RESID 64 (G): C 176.531 176.531 175.908 0.623 RESID 64 (G): CA 47.765 47.765 46.914 0.851 RESID 64 (G): H 8.102 8.102 7.679 0.423 RESID 65 (T): N 120.842 120.842 117.601 3.241 RESID 65 (T): C 176.453 176.453 176.584 -0.131 RESID 65 (T): CA 67.140 67.140 65.516 1.623 RESID 65 (T): CB 69.161 69.161 68.880 0.281 RESID 65 (T): H 7.854 7.854 7.385 0.469 RESID 66 (I): N 122.676 122.676 119.272 3.404 RESID 66 (I): C 177.307 177.307 177.504 -0.197 RESID 66 (I): CA 65.832 65.832 64.479 1.353 RESID 66 (I): CB 38.090 38.090 37.435 0.655 RESID 66 (I): H 8.018 8.018 7.379 0.639 RESID 67 (L): N 119.838 119.838 119.701 0.137 RESID 67 (L): C 178.706 178.706 179.120 -0.414 RESID 67 (L): CA 58.491 58.491 57.801 0.690 RESID 67 (L): CB 41.387 41.387 41.336 0.051 RESID 67 (L): H 8.291 8.291 7.560 0.731 RESID 68 (T): N 115.362 115.362 115.222 0.140 RESID 68 (T): C 176.764 176.764 176.516 0.248 RESID 68 (T): CA 67.040 67.040 66.243 0.797 RESID 68 (T): CB 69.403 69.403 68.693 0.710 RESID 68 (T): H 7.963 7.963 7.200 0.763 RESID 69 (M): N 122.960 122.960 120.470 2.490 RESID 69 (M): C 177.153 177.153 177.951 -0.798 RESID 69 (M): CA 59.710 59.710 58.210 1.500 RESID 69 (M): CB 33.111 33.111 32.026 1.085 RESID 69 (M): H 7.977 7.977 7.641 0.336 RESID 70 (V): N 119.558 119.558 118.520 1.038 RESID 70 (V): C 176.841 176.841 176.947 -0.106 RESID 70 (V): CA 66.277 66.277 64.624 1.653 RESID 70 (V): CB 31.362 31.362 31.768 -0.406 RESID 70 (V): H 7.751 7.751 7.520 0.231 RESID 71 (R): N 118.002 118.002 118.020 -0.018 RESID 71 (R): C 177.152 177.152 178.058 -0.906 RESID 71 (R): CA 58.761 58.761 58.125 0.636 RESID 71 (R): CB 30.656 30.656 30.130 0.527 RESID 71 (R): H 7.827 7.827 7.505 0.322 RESID 72 (T): N 111.410 111.410 114.798 -3.388 RESID 72 (T): C 175.288 175.288 175.445 -0.157 RESID 72 (T): CA 64.194 64.194 65.885 -1.691 RESID 72 (T): CB 70.312 70.312 68.971 1.341 RESID 72 (T): H 7.745 7.745 7.637 0.108 RESID 73 (E): N 120.577 120.577 119.736 0.841 RESID 73 (E): C 177.696 177.696 176.213 1.483 RESID 73 (E): CA 57.363 57.363 56.338 1.025 RESID 73 (E): CB 30.927 30.927 32.522 -1.595 RESID 73 (E): H 8.263 8.263 7.890 0.373 RESID 74 (G): N 108.209 108.209 107.595 0.614 RESID 74 (G): CA 45.593 45.593 44.931 0.662 RESID 74 (G): H 7.841 7.841 7.428 0.413 RESID 75 (P): C 177.152 177.152 178.418 -1.266 RESID 75 (P): CA 65.652 65.652 64.846 0.806 RESID 75 (P): CB 32.294 32.294 32.034 0.260 RESID 76 (R): N 118.553 118.553 115.606 2.947 RESID 76 (R): C 177.696 177.696 177.950 -0.254 RESID 76 (R): CA 59.785 59.785 58.557 1.228 RESID 76 (R): CB 29.671 29.671 29.112 0.559 RESID 76 (R): H 8.427 8.427 8.644 -0.217 RESID 77 (S): N 115.323 115.323 113.682 1.641 RESID 77 (S): C 177.230 177.230 175.421 1.809 RESID 77 (S): CA 61.318 61.318 60.592 0.726 RESID 77 (S): CB 63.281 63.281 63.665 -0.384 RESID 77 (S): H 7.963 7.963 8.085 -0.122 RESID 78 (L): N 122.598 122.598 119.697 2.901 RESID 78 (L): C 177.696 177.696 178.528 -0.832 RESID 78 (L): CA 57.792 57.792 56.646 1.146 RESID 78 (L): CB 42.202 42.202 41.610 0.592 RESID 78 (L): H 7.595 7.595 7.633 -0.038 RESID 79 (Y): N 119.276 119.276 115.722 3.554 RESID 79 (Y): C 176.142 176.142 176.327 -0.185 RESID 79 (Y): CA 60.792 60.792 59.413 1.379 RESID 79 (Y): CB 38.687 38.687 37.914 0.773 RESID 79 (Y): H 7.868 7.868 7.489 0.379 RESID 80 (N): N 117.249 117.249 117.360 -0.111 RESID 80 (N): C 178.472 178.472 175.573 2.899 RESID 80 (N): CA 53.024 53.024 51.885 1.139 RESID 80 (N): CB 37.946 37.946 37.245 0.702 RESID 80 (N): H 8.374 8.374 7.602 0.772 RESID 81 (G): N 108.575 108.575 107.187 1.388 RESID 81 (G): C 175.521 175.521 174.977 0.544 RESID 81 (G): CA 46.266 46.266 45.651 0.615 RESID 81 (G): H 8.086 8.086 7.436 0.650 RESID 82 (L): N 124.326 124.326 123.639 0.687 RESID 82 (L): C 178.239 178.239 177.641 0.598 RESID 82 (L): CA 58.217 58.217 57.552 0.665 RESID 82 (L): CB 42.351 42.351 41.849 0.502 RESID 82 (L): H 7.991 7.991 7.705 0.286 RESID 83 (V): N 117.727 117.727 117.970 -0.243 RESID 83 (V): C 177.851 177.851 176.886 0.965 RESID 83 (V): CA 64.113 64.113 64.949 -0.836 RESID 83 (V): CB 31.924 31.924 31.428 0.496 RESID 83 (V): H 8.004 8.004 8.126 -0.122 RESID 84 (A): N 121.414 121.414 121.802 -0.388 RESID 84 (A): C 180.570 180.570 179.579 0.991 RESID 84 (A): CA 55.031 55.031 54.330 0.702 RESID 84 (A): CB 18.286 18.286 18.543 -0.257 RESID 84 (A): H 7.677 7.677 7.204 0.473 RESID 85 (G): N 106.471 106.471 107.254 -0.783 RESID 85 (G): C 175.521 175.521 176.011 -0.490 RESID 85 (G): CA 47.191 47.191 46.535 0.656 RESID 85 (G): H 7.963 7.963 7.665 0.298 RESID 86 (L): N 122.326 122.326 121.732 0.594 RESID 86 (L): C 178.239 178.239 179.142 -0.903 RESID 86 (L): CA 57.493 57.493 57.265 0.228 RESID 86 (L): CB 42.202 42.202 41.512 0.690 RESID 86 (L): H 8.100 8.100 7.403 0.697 RESID 87 (Q): N 117.736 117.736 117.195 0.541 RESID 87 (Q): C 177.340 177.340 178.197 -0.857 RESID 87 (Q): CA 57.787 57.787 58.907 -1.120 RESID 87 (Q): CB 28.942 28.942 28.206 0.736 RESID 87 (Q): H 8.004 8.004 7.805 0.199 RESID 88 (R): N 118.107 118.107 119.958 -1.851 RESID 88 (R): C 177.930 177.930 178.374 -0.444 RESID 88 (R): CA 58.062 58.062 59.480 -1.417 RESID 88 (R): CB 30.774 30.774 29.738 1.036 RESID 88 (R): H 7.568 7.568 7.384 0.184 RESID 89 (Q): N 117.921 117.921 118.749 -0.828 RESID 89 (Q): C 177.375 177.375 178.500 -1.125 RESID 89 (Q): CA 56.838 56.838 58.586 -1.748 RESID 89 (Q): CB 29.006 29.006 28.646 0.360 RESID 89 (Q): H 7.827 7.827 7.449 0.378 RESID 90 (M): N 118.378 118.378 119.266 -0.888 RESID 90 (M): C 176.365 176.365 178.487 -2.122 RESID 90 (M): CA 56.339 56.339 58.261 -1.922 RESID 90 (M): CB 33.444 33.444 32.140 1.304 RESID 90 (M): H 7.963 7.963 8.374 -0.411 RESID 91 (S): N 115.089 115.089 114.575 0.514 RESID 91 (S): C 175.899 175.899 176.389 -0.490 RESID 91 (S): CA 58.621 58.621 61.050 -2.429 RESID 91 (S): CB 64.337 64.337 62.916 1.421 RESID 91 (S): H 7.868 7.868 7.824 0.044 RESID 92 (F): N 122.852 122.852 122.845 0.007 RESID 92 (F): C 177.375 177.375 176.623 0.752 RESID 92 (F): CA 59.095 59.095 61.446 -2.351 RESID 92 (F): CB 38.937 38.937 39.078 -0.141 RESID 92 (F): H 8.332 8.332 7.565 0.767 RESID 93 (A): N 123.258 123.258 119.153 4.105 RESID 93 (A): C 178.628 178.628 178.586 0.042 RESID 93 (A): CA 54.881 54.881 54.484 0.397 RESID 93 (A): CB 17.902 17.902 18.190 -0.288 RESID 93 (A): H 8.223 8.223 7.688 0.535 RESID 94 (S): N 112.886 112.886 114.687 -1.801 RESID 94 (S): C 176.831 176.831 176.870 -0.039 RESID 94 (S): CA 60.319 60.319 60.649 -0.330 RESID 94 (S): CB 63.611 63.611 63.615 -0.004 RESID 94 (S): H 7.977 7.977 7.484 0.493 RESID 95 (V): N 121.854 121.854 122.850 -0.996 RESID 95 (V): C 176.220 176.220 175.903 0.317 RESID 95 (V): CA 64.629 64.629 64.696 -0.067 RESID 95 (V): CB 31.328 31.328 31.584 -0.256 RESID 95 (V): H 7.581 7.581 8.271 -0.690 RESID 96 (R): N 121.329 121.329 118.036 3.293 RESID 96 (R): C 176.814 176.814 176.903 -0.089 RESID 96 (R): CA 58.636 58.636 57.710 0.926 RESID 96 (R): CB 30.672 30.672 29.250 1.422 RESID 96 (R): H 7.936 7.936 7.231 0.705 RESID 97 (I): N 119.194 119.194 118.658 0.536 RESID 97 (I): C 177.152 177.152 176.035 1.117 RESID 97 (I): CA 63.296 63.296 62.237 1.058 RESID 97 (I): CB 38.757 38.757 38.914 -0.157 RESID 97 (I): H 7.802 7.802 7.479 0.323 RESID 98 (G): N 109.857 109.857 107.507 2.350 RESID 98 (G): C 176.064 176.064 174.918 1.146 RESID 98 (G): CA 46.941 46.941 46.183 0.758 RESID 98 (G): H 8.127 8.127 7.701 0.426 RESID 99 (L): N 123.258 123.258 122.682 0.576 RESID 99 (L): C 177.856 177.856 178.370 -0.514 RESID 99 (L): CA 58.264 58.264 56.298 1.966 RESID 99 (L): CB 42.488 42.488 41.459 1.029 RESID 99 (L): H 8.223 8.223 8.009 0.214 RESID 100 (Y): N 119.770 119.770 120.824 -1.054 RESID 100 (Y): C 176.997 176.997 176.423 0.574 RESID 100 (Y): CA 61.592 61.592 62.839 -1.247 RESID 100 (Y): CB 38.809 38.809 38.621 0.188 RESID 100 (Y): H 8.207 8.207 7.962 0.245 RESID 101 (D): N 118.460 118.460 117.116 1.344 RESID 101 (D): C 178.939 178.939 178.405 0.534 RESID 101 (D): CA 57.797 57.797 56.770 1.027 RESID 101 (D): CB 40.498 40.498 39.681 0.817 RESID 101 (D): H 8.401 8.401 8.763 -0.362 RESID 102 (S): N 116.022 116.022 116.205 -0.183 RESID 102 (S): C 176.005 176.005 176.551 -0.546 RESID 102 (S): CA 62.791 62.791 61.583 1.208 RESID 102 (S): CB 64.211 64.211 63.083 1.128 RESID 102 (S): H 7.854 7.854 7.663 0.191 RESID 103 (V): N 120.844 120.844 121.221 -0.377 RESID 103 (V): C 177.307 177.307 177.726 -0.419 RESID 103 (V): CA 66.510 66.510 65.640 0.870 RESID 103 (V): CB 31.965 31.965 31.524 0.441 RESID 103 (V): H 7.926 7.926 7.521 0.405 RESID 104 (K): N 120.468 120.468 119.702 0.766 RESID 104 (K): C 178.861 178.861 179.040 -0.179 RESID 104 (K): CA 60.184 60.184 59.303 0.880 RESID 104 (K): CB 31.979 31.979 31.896 0.083 RESID 104 (K): H 8.127 8.127 7.895 0.232 RESID 105 (Q): N 118.386 118.386 117.138 1.248 RESID 105 (Q): C 177.540 177.540 177.874 -0.334 RESID 105 (Q): CA 58.786 58.786 57.550 1.236 RESID 105 (Q): CB 28.377 28.377 28.657 -0.280 RESID 105 (Q): H 7.841 7.841 7.951 -0.110 RESID 106 (F): N 119.471 119.471 118.145 1.326 RESID 106 (F): C 176.531 176.531 175.387 1.144 RESID 106 (F): CA 60.593 60.593 60.201 0.392 RESID 106 (F): CB 39.459 39.459 39.334 0.125 RESID 106 (F): H 7.772 7.772 7.514 0.258 RESID 107 (Y): N 118.288 118.288 113.404 4.884 RESID 107 (Y): C 176.220 176.220 176.619 -0.399 RESID 107 (Y): CA 60.543 60.543 58.442 2.101 RESID 107 (Y): CB 38.819 38.819 40.328 -1.509 RESID 107 (Y): H 8.045 8.045 7.451 0.594 RESID 108 (T): N 113.383 113.383 111.544 1.839 RESID 108 (T): C 175.288 175.288 174.280 1.008 RESID 108 (T): CA 64.094 64.094 61.571 2.523 RESID 108 (T): CB 69.986 69.986 68.823 1.163 RESID 108 (T): H 7.868 7.868 7.627 0.241 RESID 113 (H): C 173.413 173.413 174.432 -1.019 RESID 113 (H): H 7.968 7.968 8.674 -0.706 RESID 114 (A): N 119.456 119.456 120.958 -1.502 RESID 114 (A): C 177.851 177.851 176.090 1.761 RESID 114 (A): CA 53.283 53.283 52.127 1.156 RESID 114 (A): CB 19.362 19.362 19.371 -0.009 RESID 114 (A): H 8.433 8.433 7.939 0.494 RESID 115 (G): N 108.484 108.484 105.622 2.862 RESID 115 (G): C 174.822 174.822 175.249 -0.427 RESID 115 (G): CA 45.968 45.968 45.175 0.793 RESID 115 (G): H 8.250 8.250 8.184 0.066 RESID 116 (I): N 121.139 121.139 121.222 -0.083 RESID 116 (I): C 176.841 176.841 176.823 0.018 RESID 116 (I): CA 63.160 63.160 64.012 -0.852 RESID 116 (I): CB 38.853 38.853 38.063 0.790 RESID 116 (I): H 8.127 8.127 8.163 -0.036 RESID 117 (G): N 110.863 110.863 107.387 3.476 RESID 117 (G): C 174.588 174.588 175.517 -0.929 RESID 117 (G): CA 46.791 46.791 47.280 -0.489 RESID 117 (G): H 8.509 8.509 8.517 -0.008 RESID 118 (S): N 116.069 116.069 118.140 -2.071 RESID 118 (S): C 175.754 175.754 176.786 -1.032 RESID 118 (S): CA 60.319 60.319 61.385 -1.066 RESID 118 (S): CB 63.864 63.864 62.512 1.352 RESID 118 (S): H 7.991 7.991 8.120 -0.129 RESID 119 (R): N 122.134 122.134 122.133 0.001 RESID 119 (R): C 178.228 178.228 178.766 -0.538 RESID 119 (R): CA 57.787 57.787 59.499 -1.712 RESID 119 (R): CB 30.549 30.549 29.998 0.551 RESID 119 (R): H 7.963 7.963 8.302 -0.339 RESID 120 (L): N 120.403 120.403 122.540 -2.137 RESID 120 (L): C 177.230 177.230 178.677 -1.447 RESID 120 (L): CA 57.967 57.967 58.125 -0.158 RESID 120 (L): CB 42.146 42.146 41.968 0.179 RESID 120 (L): H 7.914 7.914 7.596 0.318 RESID 121 (L): N 118.960 118.960 119.296 -0.336 RESID 121 (L): C 177.152 177.152 179.175 -2.023 RESID 121 (L): CA 55.495 55.495 58.302 -2.807 RESID 121 (L): CB 42.238 42.238 41.246 0.992 RESID 121 (L): H 7.718 7.718 8.323 -0.605 RESID 122 (A): N 123.063 123.063 121.479 1.584 RESID 122 (A): C 178.317 178.317 179.832 -1.515 RESID 122 (A): CA 53.358 53.358 55.560 -2.202 RESID 122 (A): CB 19.218 19.218 18.108 1.110 RESID 122 (A): H 7.745 7.745 8.946 -1.201 RESID 123 (G): N 107.843 107.843 106.808 1.035 RESID 123 (G): C 176.912 176.912 176.576 0.336 RESID 123 (G): CA 45.943 45.943 47.179 -1.236 RESID 123 (G): H 8.113 8.113 8.847 -0.734 RESID 124 (S): N 116.105 116.105 118.788 -2.683 RESID 124 (S): C 175.574 175.574 176.824 -1.250 RESID 124 (S): CA 59.145 59.145 62.229 -3.084 RESID 124 (S): CB 64.211 64.211 63.320 0.891 RESID 124 (S): H 8.109 8.109 8.515 -0.406 RESID 125 (T): N 116.069 116.069 118.587 -2.518 RESID 125 (T): C 176.055 176.055 176.803 -0.748 RESID 125 (T): CA 66.921 66.921 66.719 0.202 RESID 125 (T): CB 69.682 69.682 69.026 0.656 RESID 125 (T): H 8.086 8.086 8.367 -0.281 RESID 126 (T): N 115.439 115.439 115.057 0.382 RESID 126 (T): C 177.443 177.443 176.827 0.616 RESID 126 (T): CA 65.285 65.285 66.101 -0.816 RESID 126 (T): CB 68.364 68.364 68.418 -0.054 RESID 126 (T): H 7.977 7.977 8.375 -0.398 RESID 127 (G): N 115.453 115.453 109.149 6.304 RESID 127 (G): C 174.215 174.215 175.213 -0.998 RESID 127 (G): CA 46.117 46.117 46.665 -0.548 RESID 127 (G): H 8.168 8.168 8.175 -0.007 RESID 128 (A): N 123.952 123.952 124.892 -0.940 RESID 128 (A): C 178.162 178.162 179.259 -1.097 RESID 128 (A): CA 53.349 53.349 54.658 -1.309 RESID 128 (A): CB 19.099 19.099 18.486 0.613 RESID 128 (A): H 7.919 7.919 7.463 0.456 RESID 129 (L): N 120.025 120.025 119.479 0.546 RESID 129 (L): C 177.949 177.949 178.485 -0.536 RESID 129 (L): CA 56.019 56.019 57.357 -1.338 RESID 129 (L): CB 42.340 42.340 41.691 0.649 RESID 129 (L): H 7.936 7.936 7.517 0.419 RESID 130 (A): N 123.402 123.402 121.104 2.298 RESID 130 (A): C 177.929 177.929 179.465 -1.536 RESID 130 (A): CA 53.283 53.283 54.950 -1.667 RESID 130 (A): CB 18.964 18.964 18.069 0.895 RESID 130 (A): H 7.868 7.868 8.090 -0.222 RESID 131 (V): N 118.111 118.111 117.604 0.507 RESID 131 (V): C 176.025 176.025 177.113 -1.088 RESID 131 (V): CA 63.180 63.180 64.693 -1.513 RESID 131 (V): CB 32.898 32.898 31.673 1.225 RESID 131 (V): H 7.636 7.636 7.828 -0.192 RESID 132 (A): N 124.047 124.047 121.930 2.117 RESID 132 (A): C 179.008 179.008 178.713 0.295 RESID 132 (A): CA 53.707 53.707 54.626 -0.919 RESID 132 (A): CB 19.150 19.150 18.505 0.645 RESID 132 (A): H 7.911 7.911 7.445 0.466 RESID 133 (V): N 113.349 113.349 118.703 -5.354 RESID 133 (V): C 175.527 175.527 175.937 -0.410 RESID 133 (V): CA 64.115 64.115 64.225 -0.110 RESID 133 (V): CB 31.832 31.832 32.850 -1.018 RESID 133 (V): H 7.094 7.094 7.345 -0.251 RESID 134 (A): N 123.224 123.224 122.112 1.112 RESID 134 (A): CA 55.493 55.493 51.448 4.045 RESID 134 (A): H 7.586 7.586 7.456 0.130 RESID 136 (P): C 177.074 177.074 178.468 -1.394 RESID 137 (T): N 113.281 113.281 109.274 4.007 RESID 137 (T): C 174.485 174.485 176.463 -1.978 RESID 137 (T): CA 64.496 64.496 66.389 -1.893 RESID 137 (T): CB 69.997 69.997 68.409 1.588 RESID 137 (T): H 7.963 7.963 8.054 -0.091 RESID 138 (D): N 122.770 122.770 121.402 1.368 RESID 138 (D): C 178.458 178.458 178.409 0.049 RESID 138 (D): CA 56.776 56.776 56.887 -0.111 RESID 138 (D): CB 41.023 41.023 40.621 0.402 RESID 138 (D): H 8.094 8.094 7.798 0.296 RESID 139 (V): N 119.931 119.931 117.390 2.541 RESID 139 (V): C 177.502 177.502 177.685 -0.183 RESID 139 (V): CA 66.455 66.455 65.866 0.589 RESID 139 (V): CB 32.804 32.804 31.055 1.748 RESID 139 (V): H 7.753 7.753 7.500 0.253 RESID 140 (V): N 120.539 120.539 120.890 -0.351 RESID 140 (V): C 176.232 176.232 178.257 -2.025 RESID 140 (V): CA 66.770 66.770 67.080 -0.310 RESID 140 (V): CB 32.086 32.086 31.076 1.010 RESID 140 (V): H 8.295 8.295 7.800 0.495 RESID 141 (K): N 120.122 120.122 120.001 0.121 RESID 141 (K): C 176.120 176.120 179.165 -3.045 RESID 141 (K): CA 55.991 55.991 60.037 -4.046 RESID 141 (K): CB 31.712 31.712 32.254 -0.542 RESID 141 (K): H 7.698 7.698 7.534 0.164 RESID 142 (V): N 120.104 120.104 120.128 -0.024 RESID 142 (V): CA 63.230 63.230 65.769 -2.539 RESID 142 (V): H 7.772 7.772 7.506 0.266 RESID 143 (R): C 178.401 178.401 178.848 -0.447 RESID 143 (R): H 7.999 7.999 8.022 -0.023 RESID 144 (F): N 120.445 120.445 119.465 0.980 RESID 144 (F): C 177.856 177.856 176.525 1.331 RESID 144 (F): CA 61.438 61.438 61.087 0.350 RESID 144 (F): H 8.395 8.395 8.562 -0.167 RESID 145 (Q): N 124.180 124.180 118.230 5.950 RESID 145 (Q): C 174.844 174.844 177.356 -2.512 RESID 145 (Q): CA 56.414 56.414 58.058 -1.644 RESID 145 (Q): CB 30.721 30.721 29.442 1.279 RESID 145 (Q): H 8.094 8.094 7.895 0.199 RESID 146 (A): N 120.452 120.452 121.245 -0.793 RESID 146 (A): C 177.929 177.929 177.804 0.125 RESID 146 (A): CA 53.483 53.483 53.346 0.137 RESID 146 (A): CB 18.431 18.431 19.122 -0.691 RESID 146 (A): H 7.939 7.939 7.461 0.478 RESID 147 (Q): N 119.388 119.388 118.854 0.534 RESID 147 (Q): C 176.029 176.029 174.897 1.132 RESID 147 (Q): CA 56.339 56.339 56.045 0.294 RESID 147 (Q): CB 29.444 29.444 28.119 1.325 RESID 147 (Q): H 8.072 8.072 7.558 0.514 RESID 148 (A): N 125.199 125.199 127.288 -2.089 RESID 148 (A): C 177.766 177.766 176.985 0.781 RESID 148 (A): CA 53.108 53.108 51.462 1.646 RESID 148 (A): CB 19.151 19.151 20.388 -1.237 RESID 148 (A): H 8.055 8.055 8.017 0.038 RESID 149 (R): N 120.208 120.208 118.160 2.048 RESID 149 (R): CA 56.414 56.414 55.985 0.429 RESID 149 (R): CB 30.749 30.749 29.338 1.411 RESID 149 (R): H 8.018 8.018 8.319 -0.301 RESID 159 (T): C 175.928 175.928 176.536 -0.608 RESID 160 (V): N 118.321 118.321 121.128 -2.807 RESID 160 (V): C 177.749 177.749 177.893 -0.144 RESID 160 (V): CA 64.126 64.126 66.380 -2.254 RESID 160 (V): CB 31.343 31.343 31.299 0.044 RESID 160 (V): H 8.073 8.073 8.318 -0.245 RESID 161 (E): N 122.379 122.379 119.810 2.569 RESID 161 (E): C 178.783 178.783 178.242 0.541 RESID 161 (E): CA 59.550 59.550 59.016 0.534 RESID 161 (E): CB 29.597 29.597 28.799 0.798 RESID 161 (E): H 8.204 8.204 8.299 -0.095 RESID 162 (A): N 122.845 122.845 123.841 -0.996 RESID 162 (A): C 179.948 179.948 179.542 0.406 RESID 162 (A): CA 55.181 55.181 54.949 0.232 RESID 162 (A): CB 18.154 18.154 18.750 -0.596 RESID 162 (A): H 7.786 7.786 8.400 -0.614 RESID 163 (Y): N 118.902 118.902 119.460 -0.558 RESID 163 (Y): C 177.273 177.273 177.631 -0.358 RESID 163 (Y): CA 61.068 61.068 60.737 0.331 RESID 163 (Y): CB 37.898 37.898 37.997 -0.099 RESID 163 (Y): H 7.922 7.922 8.005 -0.083 RESID 164 (K): N 119.939 119.939 118.991 0.948 RESID 164 (K): C 178.239 178.239 178.727 -0.488 RESID 164 (K): CA 60.309 60.309 58.398 1.911 RESID 164 (K): CB 32.504 32.504 31.919 0.585 RESID 164 (K): H 8.223 8.223 6.949 1.274 RESID 165 (T): N 115.262 115.262 113.392 1.870 RESID 165 (T): C 175.676 175.676 176.631 -0.955 RESID 165 (T): CA 66.516 66.516 65.903 0.613 RESID 165 (T): CB 69.367 69.367 68.683 0.684 RESID 165 (T): H 7.745 7.745 7.855 -0.110 RESID 166 (I): N 121.571 121.571 121.567 0.004 RESID 166 (I): C 177.307 177.307 176.523 0.784 RESID 166 (I): CA 64.634 64.634 63.918 0.716 RESID 166 (I): CB 38.896 38.896 37.924 0.972 RESID 166 (I): H 7.540 7.540 7.361 0.179 RESID 167 (A): N 121.983 121.983 122.646 -0.663 RESID 167 (A): C 178.395 178.395 179.971 -1.576 RESID 167 (A): CA 54.656 54.656 54.806 -0.150 RESID 167 (A): CB 18.486 18.486 18.053 0.433 RESID 167 (A): H 8.059 8.059 7.788 0.271 RESID 168 (R): N 116.369 116.369 119.196 -2.827 RESID 168 (R): C 177.307 177.307 178.423 -1.116 RESID 168 (R): CA 58.486 58.486 58.816 -0.331 RESID 168 (R): CB 30.930 30.930 30.123 0.807 RESID 168 (R): H 7.690 7.690 7.830 -0.140 RESID 169 (E): N 118.667 118.667 117.558 1.109 RESID 169 (E): C 177.696 177.696 178.470 -0.774 RESID 169 (E): CA 58.212 58.212 58.277 -0.065 RESID 169 (E): CB 30.357 30.357 29.823 0.534 RESID 169 (E): H 8.045 8.045 7.762 0.283 RESID 170 (E): N 118.202 118.202 118.024 0.178 RESID 170 (E): C 177.878 177.878 177.149 0.729 RESID 170 (E): CA 57.363 57.363 57.122 0.241 RESID 170 (E): CB 31.277 31.277 31.172 0.105 RESID 170 (E): H 8.550 8.550 8.386 0.164 RESID 171 (G): N 108.941 108.941 107.170 1.771 RESID 171 (G): C 174.433 174.433 174.676 -0.243 RESID 171 (G): CA 45.193 45.193 44.614 0.580 RESID 171 (G): H 7.881 7.881 7.729 0.152 RESID 172 (I): N 120.842 120.842 116.475 4.367 RESID 172 (I): C 176.997 176.997 177.272 -0.275 RESID 172 (I): CA 63.810 63.810 63.931 -0.121 RESID 172 (I): CB 38.516 38.516 37.657 0.859 RESID 172 (I): H 8.550 8.550 8.315 0.235 RESID 173 (R): N 119.480 119.480 121.561 -2.081 RESID 173 (R): C 178.084 178.084 178.576 -0.492 RESID 173 (R): CA 58.711 58.711 58.959 -0.248 RESID 173 (R): CB 29.796 29.796 29.596 0.200 RESID 173 (R): H 8.277 8.277 8.365 -0.088 RESID 174 (G): N 106.379 106.379 106.262 0.117 RESID 174 (G): C 175.210 175.210 176.017 -0.807 RESID 174 (G): CA 46.767 46.767 46.521 0.246 RESID 174 (G): H 7.690 7.690 7.899 -0.209 RESID 175 (L): N 120.664 120.664 121.241 -0.577 RESID 175 (L): C 177.971 177.971 178.206 -0.235 RESID 175 (L): CA 57.104 57.104 57.137 -0.033 RESID 175 (L): CB 42.559 42.559 42.674 -0.115 RESID 175 (L): H 7.554 7.554 7.278 0.276 RESID 176 (W): N 117.031 117.031 116.978 0.053 RESID 176 (W): C 176.987 176.987 178.065 -1.078 RESID 176 (W): CA 57.672 57.672 56.734 0.938 RESID 176 (W): CB 29.796 29.796 28.121 1.675 RESID 176 (W): H 7.499 7.499 8.214 -0.715 RESID 177 (K): N 120.567 120.567 119.681 0.886 RESID 177 (K): C 177.152 177.152 177.967 -0.815 RESID 177 (K): CA 57.712 57.712 60.188 -2.476 RESID 177 (K): CB 32.890 32.890 32.142 0.748 RESID 177 (K): H 7.595 7.595 7.483 0.112 RESID 178 (G): N 108.667 108.667 103.277 5.390 RESID 178 (G): C 174.045 174.045 175.769 -1.724 RESID 178 (G): CA 45.893 45.893 45.865 0.028 RESID 178 (G): H 7.881 7.881 8.010 -0.129 RESID 179 (T): N 115.080 115.080 119.254 -4.174 RESID 179 (T): C 175.192 175.192 176.649 -1.457 RESID 179 (T): CA 66.521 66.521 67.372 -0.851 RESID 179 (T): CB 70.079 70.079 68.108 1.971 RESID 179 (T): H 7.622 7.622 7.813 -0.191 RESID 180 (S): N 117.754 117.754 115.916 1.838 RESID 180 (S): CA 63.123 63.123 63.706 -0.583 RESID 180 (S): CB 62.045 62.045 62.036 0.009 RESID 180 (S): H 8.195 8.195 7.804 0.391 RESID 182 (N): C 177.348 177.348 177.064 0.284 RESID 183 (V): N 118.118 118.118 120.404 -2.286 RESID 183 (V): C 176.944 176.944 176.513 0.431 RESID 183 (V): CA 65.244 65.244 65.998 -0.754 RESID 183 (V): CB 32.508 32.508 31.837 0.671 RESID 183 (V): H 7.861 7.861 7.586 0.275 RESID 184 (A): N 122.284 122.284 121.325 0.959 RESID 184 (A): C 178.317 178.317 179.300 -0.983 RESID 184 (A): CA 55.339 55.339 55.151 0.188 RESID 184 (A): CB 28.230 28.230 18.130 10.100 RESID 184 (A): H 8.097 8.097 7.501 0.596 RESID 185 (R): N 117.321 117.321 119.443 -2.122 RESID 185 (R): C 177.527 177.527 178.106 -0.579 RESID 185 (R): CA 59.543 59.543 59.528 0.015 RESID 185 (R): CB 29.767 29.767 30.081 -0.314 RESID 185 (R): H 7.611 7.611 7.766 -0.155 RESID 186 (N): N 117.294 117.294 117.769 -0.475 RESID 186 (N): C 176.599 176.599 177.261 -0.662 RESID 186 (N): CA 56.659 56.659 56.278 0.381 RESID 186 (N): CB 39.454 39.454 38.382 1.072 RESID 186 (N): H 8.048 8.048 7.671 0.377 RESID 187 (A): N 121.003 121.003 122.841 -1.838 RESID 187 (A): C 178.713 178.713 179.710 -0.997 RESID 187 (A): CA 55.520 55.520 54.901 0.619 RESID 187 (A): CB 18.097 18.097 18.686 -0.589 RESID 187 (A): H 7.322 7.322 7.497 -0.175 RESID 188 (I): N 119.319 119.319 119.325 -0.006 RESID 188 (I): C 176.634 176.634 178.077 -1.443 RESID 188 (I): CA 64.225 64.225 65.263 -1.038 RESID 188 (I): CB 37.658 37.658 38.019 -0.361 RESID 188 (I): H 7.779 7.779 8.175 -0.396 RESID 189 (V): N 117.265 117.265 117.746 -0.481 RESID 189 (V): C 177.529 177.529 177.523 0.006 RESID 189 (V): CA 65.562 65.562 67.023 -1.461 RESID 189 (V): CB 31.407 31.407 30.879 0.528 RESID 189 (V): H 7.776 7.776 7.803 -0.027 RESID 190 (N): N 118.736 118.736 119.351 -0.615 RESID 190 (N): C 176.476 176.476 177.049 -0.573 RESID 190 (N): CA 56.813 56.813 56.527 0.286 RESID 190 (N): CB 38.268 38.268 38.756 -0.488 RESID 190 (N): H 7.800 7.800 7.625 0.175 RESID 191 (C): N 120.152 120.152 119.182 0.970 RESID 191 (C): C 175.831 175.831 176.576 -0.745 RESID 191 (C): CA 60.293 60.293 61.554 -1.261 RESID 191 (C): CB 41.566 41.566 26.646 14.920 RESID 191 (C): H 7.784 7.784 8.009 -0.225 RESID 192 (A): N 121.963 121.963 123.086 -1.123 RESID 192 (A): C 178.395 178.395 179.300 -0.905 RESID 192 (A): CA 55.280 55.280 55.026 0.253 RESID 192 (A): CB 18.008 18.008 17.940 0.068 RESID 192 (A): H 8.141 8.141 8.547 -0.406 RESID 193 (E): N 114.548 114.548 119.604 -5.056 RESID 193 (E): C 176.764 176.764 178.826 -2.062 RESID 193 (E): CA 58.262 58.262 58.937 -0.675 RESID 193 (E): CB 29.342 29.342 29.270 0.072 RESID 193 (E): H 7.595 7.595 8.307 -0.712 RESID 194 (L): N 117.659 117.659 118.697 -1.038 RESID 194 (L): C 176.904 176.904 178.950 -2.046 RESID 194 (L): CA 55.695 55.695 57.734 -2.039 RESID 194 (L): CB 41.655 41.655 41.727 -0.072 RESID 194 (L): H 7.459 7.459 7.901 -0.442 RESID 195 (V): N 117.842 117.842 119.698 -1.856 RESID 195 (V): C 177.150 177.150 177.744 -0.594 RESID 195 (V): CA 64.054 64.054 65.937 -1.883 RESID 195 (V): CB 31.079 31.079 31.849 -0.770 RESID 195 (V): H 7.363 7.363 7.400 -0.037 RESID 196 (T): N 122.439 122.439 115.633 6.806 RESID 196 (T): C 175.055 175.055 176.262 -1.207 RESID 196 (T): CA 65.500 65.500 65.854 -0.354 RESID 196 (T): CB 69.490 69.490 68.925 0.565 RESID 196 (T): H 7.940 7.940 7.561 0.379 RESID 197 (Y): N 122.430 122.430 121.944 0.486 RESID 197 (Y): C 177.152 177.152 177.177 -0.025 RESID 197 (Y): CA 61.892 61.892 61.973 -0.081 RESID 197 (Y): CB 38.085 38.085 38.284 -0.199 RESID 197 (Y): H 9.123 9.123 8.379 0.744 RESID 198 (D): N 117.750 117.750 119.249 -1.499 RESID 198 (D): C 177.696 177.696 178.624 -0.928 RESID 198 (D): CA 57.822 57.822 57.755 0.067 RESID 198 (D): CB 40.500 40.500 40.062 0.438 RESID 198 (D): H 8.263 8.263 7.892 0.371 RESID 199 (L): N 120.698 120.698 119.235 1.463 RESID 199 (L): C 180.104 180.104 179.083 1.021 RESID 199 (L): CA 58.092 58.092 57.419 0.673 RESID 199 (L): CB 42.559 42.559 41.739 0.820 RESID 199 (L): H 7.636 7.636 7.334 0.302 RESID 200 (I): N 121.136 121.136 118.377 2.759 RESID 200 (I): C 176.919 176.919 177.458 -0.539 RESID 200 (I): CA 65.482 65.482 63.013 2.469 RESID 200 (I): CB 37.949 37.949 36.534 1.415 RESID 200 (I): H 7.718 7.718 7.428 0.290 RESID 201 (K): N 120.587 120.587 118.014 2.573 RESID 201 (K): C 177.696 177.696 178.806 -1.110 RESID 201 (K): CA 60.683 60.683 59.077 1.606 RESID 201 (K): CB 31.809 31.809 32.334 -0.524 RESID 201 (K): H 8.291 8.291 7.722 0.569 RESID 202 (D): N 117.936 117.936 117.250 0.686 RESID 202 (D): C 178.395 178.395 176.746 1.649 RESID 202 (D): CA 57.672 57.672 56.176 1.496 RESID 202 (D): CB 41.355 41.355 41.189 0.166 RESID 202 (D): H 8.182 8.182 7.749 0.433 RESID 203 (T): N 115.914 115.914 114.453 1.461 RESID 203 (T): CA 61.190 61.190 61.804 -0.614 RESID 203 (T): CB 68.738 68.738 69.334 -0.596 RESID 203 (T): H 7.690 7.690 7.673 0.017 RESID 204 (L): C 176.047 176.047 175.390 0.657 RESID 204 (L): H 8.051 8.051 8.724 -0.673 RESID 205 (L): N 118.768 118.768 120.499 -1.731 RESID 205 (L): C 179.871 179.871 175.124 4.747 RESID 205 (L): CA 55.867 55.867 54.027 1.840 RESID 205 (L): CB 41.887 41.887 42.866 -0.979 RESID 205 (L): H 7.977 7.977 7.553 0.424 RESID 206 (K): N 119.775 119.775 122.805 -3.030 RESID 206 (K): C 177.318 177.318 175.936 1.382 RESID 206 (K): CA 58.461 58.461 55.836 2.625 RESID 206 (K): CB 32.734 32.734 31.882 0.852 RESID 206 (K): H 7.677 7.677 8.577 -0.900 RESID 207 (A): N 120.757 120.757 120.507 0.250 RESID 207 (A): C 176.531 176.531 176.200 0.331 RESID 207 (A): CA 53.083 53.083 52.245 0.838 RESID 207 (A): CB 18.960 18.960 17.353 1.607 RESID 207 (A): H 7.565 7.565 8.208 -0.643 RESID 208 (N): N 115.463 115.463 115.857 -0.394 RESID 208 (N): C 174.822 174.822 173.230 1.592 RESID 208 (N): CA 54.351 54.351 53.608 0.743 RESID 208 (N): CB 38.160 38.160 37.966 0.194 RESID 208 (N): H 7.936 7.936 8.209 -0.273 RESID 212 (D): C 174.735 174.735 175.490 -0.755 RESID 213 (D): N 116.363 116.363 118.105 -1.742 RESID 213 (D): C 175.553 175.553 176.794 -1.241 RESID 213 (D): CA 54.890 54.890 54.846 0.044 RESID 213 (D): CB 38.846 38.846 39.152 -0.306 RESID 213 (D): H 8.129 8.129 8.549 -0.420 RESID 214 (L): N 119.486 119.486 118.899 0.587 RESID 214 (L): CA 59.766 59.766 58.441 1.325 RESID 214 (L): CB 39.579 39.579 39.954 -0.375 RESID 214 (L): H 7.821 7.821 8.251 -0.430 RESID 215 (P): C 177.971 177.971 178.822 -0.851 RESID 215 (P): CA 65.938 65.938 66.340 -0.402 RESID 215 (P): CB 30.006 30.006 30.912 -0.906 RESID 216 (C): N 114.211 114.211 115.039 -0.828 RESID 216 (C): C 176.142 176.142 177.022 -0.880 RESID 216 (C): CA 58.773 58.773 63.100 -4.327 RESID 216 (C): CB 40.906 40.906 27.660 13.246 RESID 216 (C): H 8.269 8.269 8.258 0.011 RESID 217 (H): N 120.491 120.491 120.272 0.219 RESID 217 (H): C 176.747 176.747 176.786 -0.039 RESID 217 (H): CA 57.198 57.198 58.408 -1.210 RESID 217 (H): CB 29.886 29.886 29.067 0.819 RESID 217 (H): H 7.301 7.301 7.648 -0.347 RESID 218 (F): N 120.501 120.501 118.271 2.230 RESID 218 (F): C 176.187 176.187 177.592 -1.405 RESID 218 (F): CA 59.045 59.045 62.016 -2.971 RESID 218 (F): CB 38.901 38.901 38.511 0.390 RESID 218 (F): H 8.127 8.127 7.874 0.253 RESID 219 (T): N 112.682 112.682 112.643 0.039 RESID 219 (T): C 175.997 175.997 177.150 -1.153 RESID 219 (T): CA 64.319 64.319 66.598 -2.279 RESID 219 (T): CB 63.282 63.282 68.403 -5.121 RESID 219 (T): H 7.977 7.977 7.933 0.044 RESID 220 (S): N 117.589 117.589 118.301 -0.712 RESID 220 (S): C 175.055 175.055 176.606 -1.551 RESID 220 (S): CA 61.344 61.344 61.667 -0.323 RESID 220 (S): CB 63.440 63.440 63.041 0.399 RESID 220 (S): H 8.004 8.004 7.712 0.292 RESID 221 (A): N 123.860 123.860 124.790 -0.930 RESID 221 (A): C 177.618 177.618 179.133 -1.515 RESID 221 (A): CA 53.932 53.932 55.074 -1.142 RESID 221 (A): CB 18.891 18.891 18.372 0.519 RESID 221 (A): H 7.704 7.704 7.892 -0.188 RESID 222 (F): N 116.073 116.073 120.100 -4.027 RESID 222 (F): C 176.142 176.142 177.813 -1.671 RESID 222 (F): CA 58.271 58.271 60.802 -2.531 RESID 222 (F): CB 39.554 39.554 39.164 0.390 RESID 222 (F): H 7.718 7.718 8.430 -0.712 RESID 223 (G): N 108.578 108.578 106.585 1.993 RESID 223 (G): C 173.889 173.889 175.493 -1.604 RESID 223 (G): CA 45.993 45.993 47.100 -1.107 RESID 223 (G): H 7.909 7.909 8.294 -0.385 RESID 224 (A): N 123.322 123.322 125.193 -1.871 RESID 224 (A): C 178.550 178.550 179.787 -1.237 RESID 224 (A): CA 53.608 53.608 54.530 -0.922 RESID 224 (A): CB 19.069 19.069 18.474 0.595 RESID 224 (A): H 8.018 8.018 8.067 -0.049 RESID 225 (G): N 107.935 107.935 107.660 0.275 RESID 225 (G): C 175.389 175.389 175.578 -0.189 RESID 225 (G): CA 46.967 46.967 46.862 0.104 RESID 225 (G): H 8.304 8.304 8.682 -0.378 RESID 226 (F): N 122.440 122.440 123.056 -0.616 RESID 226 (F): C 176.998 176.998 177.341 -0.343 RESID 226 (F): CA 60.673 60.673 60.507 0.166 RESID 226 (F): CB 38.319 38.319 39.459 -1.140 RESID 226 (F): H 8.045 8.045 7.966 0.079 RESID 227 (C): N 116.562 116.562 117.029 -0.467 RESID 227 (C): CA 61.301 61.301 62.363 -1.062 RESID 227 (C): CB 41.286 41.286 27.677 13.609 RESID 227 (C): H 8.016 8.016 7.976 0.040 RESID 228 (T): C 176.437 176.437 176.192 0.245 RESID 228 (T): H 8.410 8.410 8.673 -0.263 RESID 229 (T): N 115.234 115.234 117.243 -2.009 RESID 229 (T): C 176.749 176.749 176.183 0.566 RESID 229 (T): CA 65.980 65.980 66.170 -0.190 RESID 229 (T): CB 67.443 67.443 67.681 -0.239 RESID 229 (T): H 8.188 8.188 8.230 -0.042 RESID 230 (V): N 120.723 120.723 121.068 -0.345 RESID 230 (V): C 177.983 177.983 177.401 0.582 RESID 230 (V): CA 66.832 66.832 65.969 0.863 RESID 230 (V): CB 31.168 31.168 31.365 -0.197 RESID 230 (V): H 8.027 8.027 7.072 0.955 RESID 231 (I): N 120.541 120.541 117.943 2.598 RESID 231 (I): C 177.368 177.368 177.792 -0.424 RESID 231 (I): CA 65.575 65.575 64.373 1.202 RESID 231 (I): CB 37.722 37.722 37.762 -0.040 RESID 231 (I): H 8.458 8.458 7.019 1.439 RESID 232 (A): N 122.766 122.766 121.384 1.382 RESID 232 (A): C 178.847 178.847 179.398 -0.551 RESID 232 (A): CA 55.252 55.252 54.938 0.314 RESID 232 (A): CB 17.874 17.874 18.194 -0.320 RESID 232 (A): H 8.589 8.589 8.427 0.162 RESID 233 (S): N 113.387 113.387 114.340 -0.953 RESID 233 (S): CA 62.348 62.348 62.940 -0.592 RESID 233 (S): CB 61.630 61.630 61.525 0.105 RESID 233 (S): H 8.218 8.218 8.399 -0.181 RESID 234 (P): C 178.221 178.221 178.850 -0.629 RESID 235 (V): N 116.087 116.087 117.465 -1.378 RESID 235 (V): C 177.089 177.089 177.320 -0.231 RESID 235 (V): CA 65.072 65.072 65.611 -0.539 RESID 235 (V): CB 31.084 31.084 31.642 -0.558 RESID 235 (V): H 8.142 8.142 7.454 0.688 RESID 236 (D): N 121.556 121.556 120.129 1.427 RESID 236 (D): C 177.422 177.422 178.375 -0.953 RESID 236 (D): CA 57.135 57.135 57.333 -0.198 RESID 236 (D): CB 40.065 40.065 40.754 -0.689 RESID 236 (D): H 7.932 7.932 7.521 0.411 RESID 237 (V): N 117.233 117.233 120.569 -3.336 RESID 237 (V): CA 64.977 64.977 66.041 -1.064 RESID 237 (V): CB 31.013 31.013 31.720 -0.707 RESID 237 (V): H 7.710 7.710 8.043 -0.333 RESID 238 (V): C 177.584 177.584 177.110 0.474 RESID 238 (V): H 7.607 7.607 7.432 0.175 RESID 239 (K): N 120.095 120.095 119.503 0.592 RESID 239 (K): C 178.678 178.678 178.526 0.152 RESID 239 (K): CA 58.483 58.483 59.179 -0.696 RESID 239 (K): CB 31.863 31.863 32.682 -0.819 RESID 239 (K): H 7.761 7.761 7.666 0.095 RESID 240 (T): N 115.247 115.247 113.092 2.155 RESID 240 (T): C 175.093 175.093 175.550 -0.457 RESID 240 (T): CA 66.458 66.458 64.702 1.756 RESID 240 (T): CB 68.011 68.011 69.066 -1.055 RESID 240 (T): H 7.761 7.761 7.791 -0.030 RESID 241 (R): N 119.633 119.633 122.067 -2.434 RESID 241 (R): CA 57.133 57.133 57.647 -0.514 RESID 241 (R): CB 31.218 31.218 30.357 0.861 RESID 241 (R): H 7.383 7.383 7.638 -0.255 RESID 242 (Y): C 174.956 174.956 174.193 0.763 RESID 242 (Y): H 8.699 8.699 8.169 0.530 RESID 243 (M): N 118.458 118.458 122.751 -4.293 RESID 243 (M): C 175.676 175.676 173.616 2.060 RESID 243 (M): CA 54.417 54.417 56.008 -1.591 RESID 243 (M): H 7.442 7.442 6.426 1.016 RESID 244 (N): N 116.369 116.369 121.666 -5.297 RESID 244 (N): C 174.919 174.919 173.354 1.565 RESID 244 (N): CA 59.470 59.470 52.950 6.520 RESID 244 (N): CB 39.079 39.079 39.779 -0.700 RESID 244 (N): H 7.772 7.772 7.993 -0.221 RESID 245 (S): N 114.568 114.568 117.181 -2.613 RESID 245 (S): C 175.695 175.695 172.911 2.784 RESID 245 (S): CA 53.852 53.852 58.480 -4.628 RESID 245 (S): CB 61.232 61.232 63.456 -2.224 RESID 245 (S): H 8.475 8.475 8.438 0.037 RESID 246 (A): N 127.283 127.283 122.969 4.314 RESID 246 (A): C 177.128 177.128 176.423 0.705 RESID 246 (A): CA 56.803 56.803 52.608 4.195 RESID 246 (A): CB 18.901 18.901 18.675 0.226 RESID 246 (A): H 7.929 7.929 8.398 -0.469 RESID 247 (L): N 118.112 118.112 121.438 -3.326 RESID 247 (L): C 176.723 176.723 177.524 -0.801 RESID 247 (L): CA 54.156 54.156 55.104 -0.948 RESID 247 (L): CB 41.215 41.215 42.473 -1.258 RESID 247 (L): H 7.922 7.922 8.412 -0.490 RESID 248 (G): N 107.203 107.203 104.435 2.768 RESID 248 (G): CA 44.558 44.558 45.014 -0.456 RESID 248 (G): H 8.318 8.318 7.948 0.370 RESID 250 (Y): C 175.942 175.942 174.283 1.659 RESID 250 (Y): H 8.134 8.134 8.335 -0.201 RESID 251 (H): N 123.281 123.281 122.273 1.008 RESID 251 (H): C 174.531 174.531 174.721 -0.190 RESID 251 (H): CA 58.931 58.931 57.533 1.397 RESID 251 (H): CB 29.525 29.525 30.702 -1.177 RESID 251 (H): H 8.184 8.184 8.395 -0.211 RESID 252 (S): N 110.038 110.038 110.898 -0.860 RESID 252 (S): C 174.429 174.429 173.972 0.457 RESID 252 (S): CA 57.452 57.452 57.523 -0.071 RESID 252 (S): CB 65.022 65.022 65.328 -0.306 RESID 252 (S): H 8.010 8.010 7.729 0.281 RESID 253 (A): N 123.034 123.034 124.451 -1.417 RESID 253 (A): C 179.249 179.249 179.977 -0.728 RESID 253 (A): CA 54.981 54.981 54.985 -0.004 RESID 253 (A): CB 19.069 19.069 18.639 0.430 RESID 253 (A): H 8.034 8.034 8.719 -0.685 RESID 254 (G): N 106.379 106.379 106.225 0.154 RESID 254 (G): C 174.433 174.433 175.652 -1.219 RESID 254 (G): CA 47.615 47.615 47.054 0.561 RESID 254 (G): H 8.427 8.427 8.789 -0.362 RESID 255 (H): N 121.119 121.119 121.418 -0.299 RESID 255 (H): C 178.084 178.084 177.531 0.553 RESID 255 (H): CA 60.144 60.144 59.295 0.848 RESID 255 (H): CB 33.073 33.073 29.880 3.193 RESID 255 (H): H 8.304 8.304 7.683 0.621 RESID 256 (C): N 117.946 117.946 118.120 -0.174 RESID 256 (C): C 175.453 175.453 176.774 -1.321 RESID 256 (C): CA 58.668 58.668 62.655 -3.987 RESID 256 (C): CB 41.434 41.434 26.880 14.554 RESID 256 (C): H 8.168 8.168 8.099 0.069 RESID 257 (A): N 123.138 123.138 122.679 0.459 RESID 257 (A): C 179.489 179.489 179.828 -0.339 RESID 257 (A): CA 54.589 54.589 55.016 -0.427 RESID 257 (A): CB 17.675 17.675 18.529 -0.854 RESID 257 (A): H 7.932 7.932 7.449 0.483 RESID 258 (L): N 119.779 119.779 117.906 1.873 RESID 258 (L): C 178.234 178.234 179.494 -1.260 RESID 258 (L): CA 56.967 56.967 57.864 -0.897 RESID 258 (L): CB 41.067 41.067 40.888 0.179 RESID 258 (L): H 7.681 7.681 7.817 -0.136 RESID 259 (T): N 114.552 114.552 113.680 0.872 RESID 259 (T): C 176.244 176.244 176.871 -0.627 RESID 259 (T): CA 66.511 66.511 66.010 0.501 RESID 259 (T): CB 67.274 67.274 68.629 -1.355 RESID 259 (T): H 7.855 7.855 7.979 -0.124 RESID 260 (M): N 118.862 118.862 119.841 -0.979 RESID 260 (M): C 177.094 177.094 177.586 -0.492 RESID 260 (M): CA 58.532 58.532 58.751 -0.219 RESID 260 (M): CB 32.288 32.288 32.146 0.142 RESID 260 (M): H 8.296 8.296 8.253 0.043 RESID 261 (L): N 116.839 116.839 118.991 -2.152 RESID 261 (L): C 178.162 178.162 179.389 -1.227 RESID 261 (L): CA 58.167 58.167 57.175 0.992 RESID 261 (L): CB 42.202 42.202 41.608 0.594 RESID 261 (L): H 8.053 8.053 7.552 0.501 RESID 262 (R): N 116.821 116.821 117.811 -0.990 RESID 262 (R): CA 58.761 58.761 58.472 0.289 RESID 262 (R): CB 30.825 30.825 30.556 0.269 RESID 262 (R): H 7.827 7.827 7.609 0.218 RESID 266 (P): C 177.152 177.152 178.553 -1.401 RESID 266 (P): CA 65.152 65.152 64.215 0.937 RESID 267 (R): N 117.739 117.739 119.395 -1.656 RESID 267 (R): C 177.463 177.463 177.668 -0.205 RESID 267 (R): CA 59.335 59.335 59.001 0.334 RESID 267 (R): CB 30.185 30.185 29.436 0.749 RESID 267 (R): H 8.072 8.072 8.039 0.033 RESID 268 (A): N 121.709 121.709 121.792 -0.083 RESID 268 (A): C 179.251 179.251 178.344 0.907 RESID 268 (A): CA 54.631 54.631 54.658 -0.027 RESID 268 (A): CB 18.683 18.683 18.267 0.416 RESID 268 (A): H 7.963 7.963 7.573 0.390 RESID 269 (F): N 117.096 117.096 116.392 0.704 RESID 269 (F): C 175.987 175.987 177.798 -1.811 RESID 269 (F): CA 61.037 61.037 61.017 0.020 RESID 269 (F): CB 38.637 38.637 38.965 -0.328 RESID 269 (F): H 7.832 7.832 7.575 0.257 RESID 270 (Y): N 118.496 118.496 119.106 -0.610 RESID 270 (Y): C 176.250 176.250 176.307 -0.057 RESID 270 (Y): CA 60.116 60.116 59.842 0.274 RESID 270 (Y): CB 38.882 38.882 38.995 -0.113 RESID 270 (Y): H 7.813 7.813 7.676 0.137 RESID 271 (K): N 119.458 119.458 119.674 -0.216 RESID 271 (K): C 177.696 177.696 175.945 1.751 RESID 271 (K): CA 57.192 57.192 56.510 0.682 RESID 271 (K): CB 32.734 32.734 33.839 -1.105 RESID 271 (K): H 7.864 7.864 7.958 -0.094 RESID 272 (G): N 106.217 106.217 107.796 -1.579 RESID 272 (G): C 173.967 173.967 173.086 0.881 RESID 272 (G): CA 46.117 46.117 45.334 0.783 RESID 272 (G): H 7.622 7.622 8.156 -0.534 RESID 273 (F): N 118.847 118.847 116.443 2.404 RESID 273 (F): C 175.055 175.055 174.977 0.078 RESID 273 (F): CA 57.721 57.721 57.174 0.547 RESID 273 (F): CB 40.183 40.183 38.459 1.724 RESID 273 (F): H 7.677 7.677 7.489 0.188 RESID 277 (F): C 176.602 176.602 176.846 -0.244 RESID 277 (F): CA 61.838 61.838 61.432 0.406 RESID 277 (F): CB 39.537 39.537 39.386 0.151 RESID 277 (F): H 7.695 7.695 8.322 -0.627 RESID 278 (L): N 118.465 118.465 119.691 -1.226 RESID 278 (L): C 177.152 177.152 179.024 -1.872 RESID 278 (L): CA 56.115 56.115 57.768 -1.653 RESID 278 (L): CB 42.398 42.398 41.096 1.302 RESID 278 (L): H 8.104 8.104 7.794 0.310 RESID 279 (R): N 118.749 118.749 118.534 0.215 RESID 279 (R): C 176.608 176.608 179.065 -2.457 RESID 279 (R): CA 56.938 56.938 58.538 -1.600 RESID 279 (R): CB 30.659 30.659 29.530 1.129 RESID 279 (R): H 7.472 7.472 7.856 -0.384 RESID 280 (L): N 120.305 120.305 119.816 0.489 RESID 280 (L): C 177.540 177.540 179.208 -1.668 RESID 280 (L): CA 57.094 57.094 57.829 -0.735 RESID 280 (L): CB 42.027 42.027 40.595 1.432 RESID 280 (L): H 7.690 7.690 8.451 -0.761 RESID 281 (G): N 106.837 106.837 106.532 0.305 RESID 281 (G): C 174.045 174.045 176.313 -2.268 RESID 281 (G): CA 46.967 46.967 47.272 -0.305 RESID 281 (G): H 7.881 7.881 7.761 0.120 RESID 282 (S): N 115.531 115.531 118.231 -2.700 RESID 282 (S): C 174.123 174.123 176.489 -2.366 RESID 282 (S): CA 58.796 58.796 61.406 -2.610 RESID 282 (S): CB 58.975 58.975 62.976 -4.001 RESID 282 (S): H 7.813 7.813 7.557 0.256 RESID 283 (W): N 122.851 122.851 124.684 -1.833 RESID 283 (W): C 176.142 176.142 177.689 -1.547 RESID 283 (W): CA 59.221 59.221 61.763 -2.542 RESID 283 (W): CB 30.446 30.446 29.587 0.859 RESID 283 (W): H 8.186 8.186 8.584 -0.398 RESID 284 (N): N 118.459 118.459 117.107 1.352 RESID 284 (N): CA 55.325 55.325 56.319 -0.994 RESID 284 (N): CB 39.504 39.504 38.374 1.130 RESID 284 (N): H 8.127 8.127 8.135 -0.008 RESID 285 (V): C 177.263 177.263 178.001 -0.738 RESID 285 (V): H 7.854 7.854 7.430 0.424 RESID 286 (V): N 119.883 119.883 117.956 1.927 RESID 286 (V): C 177.072 177.072 177.556 -0.484 RESID 286 (V): CA 64.717 64.717 66.695 -1.978 RESID 286 (V): CB 29.553 29.553 31.067 -1.514 RESID 286 (V): H 7.483 7.483 7.067 0.416 RESID 287 (M): N 120.401 120.401 119.233 1.168 RESID 287 (M): C 177.594 177.594 178.162 -0.568 RESID 287 (M): CA 57.654 57.654 58.870 -1.216 RESID 287 (M): CB 31.592 31.592 32.279 -0.688 RESID 287 (M): H 8.118 8.118 7.034 1.084 RESID 288 (F): N 122.234 122.234 119.798 2.436 RESID 288 (F): C 176.498 176.498 178.013 -1.515 RESID 288 (F): CA 61.766 61.766 62.414 -0.648 RESID 288 (F): CB 39.031 39.031 38.831 0.200 RESID 288 (F): H 7.878 7.878 7.804 0.074 RESID 289 (V): N 118.907 118.907 118.316 0.591 RESID 289 (V): CA 64.566 64.566 67.062 -2.496 RESID 289 (V): CB 30.544 30.544 31.572 -1.028 RESID 289 (V): H 7.913 7.913 7.670 0.243 RESID 290 (T): C 175.376 175.376 176.512 -1.136 RESID 290 (T): H 8.095 8.095 7.657 0.438 RESID 291 (Y): N 118.029 118.029 120.780 -2.751 RESID 291 (Y): C 176.919 176.919 177.861 -0.942 RESID 291 (Y): CA 61.717 61.717 61.872 -0.155 RESID 291 (Y): CB 38.020 38.020 38.190 -0.170 RESID 291 (Y): H 7.986 7.986 7.667 0.319 RESID 292 (E): N 118.005 118.005 119.173 -1.168 RESID 292 (E): C 176.686 176.686 179.111 -2.425 RESID 292 (E): CA 60.084 60.084 59.775 0.309 RESID 292 (E): CB 29.443 29.443 29.021 0.422 RESID 292 (E): H 8.359 8.359 8.195 0.164 RESID 293 (Q): N 118.746 118.746 118.466 0.280 RESID 293 (Q): C 176.210 176.210 178.433 -2.223 RESID 293 (Q): CA 58.986 58.986 58.526 0.460 RESID 293 (Q): CB 28.784 28.784 28.405 0.379 RESID 293 (Q): H 7.704 7.704 7.505 0.199 RESID 294 (L): N 120.970 120.970 118.525 2.445 RESID 294 (L): C 178.084 178.084 178.309 -0.225 RESID 294 (L): CA 58.741 58.741 56.763 1.978 RESID 294 (L): CB 41.451 41.451 41.612 -0.161 RESID 294 (L): H 7.995 7.995 7.454 0.541 RESID 295 (K): N 117.756 117.756 117.851 -0.095 RESID 295 (K): CA 59.048 59.048 58.331 0.717 RESID 295 (K): CB 31.871 31.871 33.120 -1.249 RESID 295 (K): H 7.731 7.731 7.958 -0.227 RESID 296 (R): H 7.895 7.895 7.749 0.146 RESID 297 (A): C 176.488 176.488 176.095 0.393 RESID 297 (A): H 8.223 8.223 8.179 0.044 RESID 298 (L): N 117.376 117.376 120.491 -3.115 RESID 298 (L): C 178.628 178.628 177.224 1.404 RESID 298 (L): CA 58.217 58.217 55.146 3.071 RESID 298 (L): CB 41.905 41.905 42.386 -0.481 RESID 298 (L): H 7.947 7.947 8.348 -0.401 RESID 299 (M): N 127.376 127.376 128.633 -1.257 RESID 299 (M): C 178.472 178.472 174.846 3.626 RESID 299 (M): CA 58.461 58.461 55.069 3.392 RESID 299 (M): CB 32.110 32.110 31.659 0.452 RESID 299 (M): H 8.182 8.182 8.842 -0.660 RESID 300 (A): N 121.854 121.854 123.799 -1.945 RESID 300 (A): C 180.197 180.197 176.035 4.162 RESID 300 (A): CA 55.617 55.617 52.363 3.254 RESID 300 (A): CB 18.215 18.215 19.885 -1.670 RESID 300 (A): H 7.841 7.841 7.687 0.154 RESID 301 (A): N 121.224 121.224 128.304 -7.080 RESID 301 (A): C 178.939 178.939 178.153 0.786 RESID 301 (A): CA 55.186 55.186 54.465 0.722 RESID 301 (A): CB 18.735 18.735 18.962 -0.227 RESID 301 (A): H 7.872 7.872 8.683 -0.811 RESID 302 (Y): N 118.183 118.183 119.912 -1.729 RESID 302 (Y): C 176.841 176.841 177.569 -0.728 RESID 302 (Y): CA 60.868 60.868 61.278 -0.410 RESID 302 (Y): CB 39.344 39.344 38.085 1.259 RESID 302 (Y): H 8.100 8.100 8.460 -0.360 RESID 303 (Q): N 117.243 117.243 118.794 -1.551 RESID 303 (Q): C 176.997 176.997 178.382 -1.385 RESID 303 (Q): CA 58.787 58.787 59.001 -0.214 RESID 303 (Q): CB 29.216 29.216 27.797 1.419 RESID 303 (Q): H 8.059 8.059 8.557 -0.498 RESID 304 (S): N 114.721 114.721 114.467 0.254 RESID 304 (S): C 174.511 174.511 176.038 -1.527 RESID 304 (S): CA 59.720 59.720 61.197 -1.478 RESID 304 (S): CB 63.896 63.896 63.013 0.883 RESID 304 (S): H 7.718 7.718 7.544 0.174 RESID 305 (R): N 121.401 121.401 119.896 1.505 RESID 305 (R): C 175.521 175.521 177.827 -2.306 RESID 305 (R): CA 59.639 59.639 58.294 1.345 RESID 305 (R): CB 30.568 30.568 30.099 0.469 RESID 305 (R): H 7.609 7.609 7.871 -0.262 RESID 306 (E): N 120.090 120.090 117.959 2.131 RESID 306 (E): C 177.648 177.648 178.511 -0.863 RESID 306 (E): CA 59.624 59.624 58.422 1.202 RESID 306 (E): CB 30.362 30.362 29.465 0.897 RESID 306 (E): H 7.909 7.909 7.691 0.218 RESID 307 (A): N 121.234 121.234 123.758 -2.524 RESID 307 (A): C 176.014 176.014 176.445 -0.431 RESID 307 (A): CA 56.844 56.844 54.995 1.849 RESID 307 (A): CB 17.735 17.735 16.668 1.067 RESID 307 (A): H 7.760 7.760 7.511 0.249 N HA C CA CB H RESID 16 (K): 3.123 ----- -2.169 0.342 0.810 -0.714 RESID 17 (F): -0.792 ----- -1.771 -1.204 0.903 -0.200 RESID 18 (L): 1.993 ----- -1.351 -1.495 2.187 -0.097 RESID 19 (G): 0.023 ----- -0.531 -1.501 ----- -0.148 RESID 20 (A): 0.481 ----- -0.065 0.150 0.871 0.470 RESID 21 (G): 0.941 ----- -0.450 -0.570 ----- 0.567 RESID 22 (T): 2.968 ----- -0.352 1.582 0.242 -0.301 RESID 23 (A): -0.234 ----- -0.421 0.442 0.185 0.877 RESID 24 (A): -0.897 ----- 0.013 0.001 0.411 -0.329 RESID 25 (C): -0.806 ----- -0.718 -4.847 14.325 0.251 RESID 26 (I): -0.499 ----- -0.657 -0.092 0.274 0.139 RESID 27 (A): -0.746 ----- 0.195 0.284 0.142 -0.104 RESID 28 (D): -1.227 ----- -0.437 0.027 -0.203 0.086 RESID 29 (L): -1.571 ----- -0.363 -0.980 0.923 0.316 RESID 30 (I): -3.351 ----- -0.340 -2.724 1.276 0.371 RESID 31 (T): -2.261 ----- -1.848 -0.346 0.077 0.498 RESID 32 (F): 0.061 ----- ----- -5.262 2.663 -0.841 RESID 33 (P): ----- ----- 0.236 -2.044 3.989 ----- RESID 34 (L): 7.203 ----- -1.654 -1.532 1.913 1.452 RESID 35 (D): 3.962 ----- -0.892 -2.719 1.155 0.417 RESID 36 (T): 4.001 ----- 0.852 -0.632 0.588 0.324 RESID 37 (A): 1.057 ----- -0.181 0.209 0.227 0.244 RESID 38 (K): -0.342 ----- -0.262 -0.210 0.795 0.185 RESID 39 (V): 4.090 ----- 0.539 0.915 3.260 0.145 RESID 40 (R): 0.876 ----- -0.389 2.101 0.177 0.265 RESID 41 (L): -2.825 ----- ----- -0.471 0.851 -0.215 RESID 49 (G): ----- ----- 0.042 ----- ----- ----- RESID 50 (L): 2.238 ----- 0.670 -0.642 -0.260 0.122 RESID 51 (V): -0.373 ----- 1.078 0.998 -1.141 0.283 RESID 52 (R): 3.854 ----- ----- 0.770 -0.875 0.346 RESID 53 (T): ----- ----- 0.919 ----- ----- 0.478 RESID 54 (A): -0.328 ----- 0.191 -1.472 -2.577 -0.023 RESID 55 (A): -11.465 ----- 0.639 2.412 -0.968 -0.835 RESID 56 (S): 8.738 ----- 0.517 0.905 1.710 -0.603 RESID 57 (A): -3.484 ----- ----- 1.060 -0.412 0.046 RESID 59 (Y): ----- ----- 1.549 ----- ----- ----- RESID 60 (R): 0.717 ----- 1.182 1.188 0.551 -0.334 RESID 61 (G): 2.104 ----- 0.757 1.274 ----- 0.130 RESID 62 (V): -3.034 ----- -0.103 1.557 0.407 -0.355 RESID 63 (L): 1.061 ----- -0.397 0.928 0.816 0.029 RESID 64 (G): -0.152 ----- 0.623 0.851 ----- 0.423 RESID 65 (T): 3.241 ----- -0.131 1.623 0.281 0.469 RESID 66 (I): 3.404 ----- -0.197 1.353 0.655 0.639 RESID 67 (L): 0.137 ----- -0.414 0.690 0.051 0.731 RESID 68 (T): 0.140 ----- 0.248 0.797 0.710 0.763 RESID 69 (M): 2.490 ----- -0.798 1.500 1.085 0.336 RESID 70 (V): 1.038 ----- -0.106 1.653 -0.406 0.231 RESID 71 (R): -0.018 ----- -0.906 0.636 0.527 0.322 RESID 72 (T): -3.388 ----- -0.157 -1.691 1.341 0.108 RESID 73 (E): 0.841 ----- 1.483 1.025 -1.595 0.373 RESID 74 (G): 0.614 ----- ----- 0.662 ----- 0.413 RESID 75 (P): ----- ----- -1.266 0.806 0.260 ----- RESID 76 (R): 2.947 ----- -0.254 1.228 0.559 -0.217 RESID 77 (S): 1.641 ----- 1.809 0.726 -0.384 -0.122 RESID 78 (L): 2.901 ----- -0.832 1.146 0.592 -0.038 RESID 79 (Y): 3.554 ----- -0.185 1.379 0.773 0.379 RESID 80 (N): -0.111 ----- 2.899 1.139 0.702 0.772 RESID 81 (G): 1.388 ----- 0.544 0.615 ----- 0.650 RESID 82 (L): 0.687 ----- 0.598 0.665 0.502 0.286 RESID 83 (V): -0.243 ----- 0.965 -0.836 0.496 -0.122 RESID 84 (A): -0.388 ----- 0.991 0.702 -0.257 0.473 RESID 85 (G): -0.783 ----- -0.490 0.656 ----- 0.298 RESID 86 (L): 0.594 ----- -0.903 0.228 0.690 0.697 RESID 87 (Q): 0.541 ----- -0.857 -1.120 0.736 0.199 RESID 88 (R): -1.851 ----- -0.444 -1.417 1.036 0.184 RESID 89 (Q): -0.828 ----- -1.125 -1.748 0.360 0.378 RESID 90 (M): -0.888 ----- -2.122 -1.922 1.304 -0.411 RESID 91 (S): 0.514 ----- -0.490 -2.429 1.421 0.044 RESID 92 (F): 0.007 ----- 0.752 -2.351 -0.141 0.767 RESID 93 (A): 4.105 ----- 0.042 0.397 -0.288 0.535 RESID 94 (S): -1.801 ----- -0.039 -0.330 -0.004 0.493 RESID 95 (V): -0.996 ----- 0.317 -0.067 -0.256 -0.690 RESID 96 (R): 3.293 ----- -0.089 0.926 1.422 0.705 RESID 97 (I): 0.536 ----- 1.117 1.058 -0.157 0.323 RESID 98 (G): 2.350 ----- 1.146 0.758 ----- 0.426 RESID 99 (L): 0.576 ----- -0.514 1.966 1.029 0.214 RESID 100 (Y): -1.054 ----- 0.574 -1.247 0.188 0.245 RESID 101 (D): 1.344 ----- 0.534 1.027 0.817 -0.362 RESID 102 (S): -0.183 ----- -0.546 1.208 1.128 0.191 RESID 103 (V): -0.377 ----- -0.419 0.870 0.441 0.405 RESID 104 (K): 0.766 ----- -0.179 0.880 0.083 0.232 RESID 105 (Q): 1.248 ----- -0.334 1.236 -0.280 -0.110 RESID 106 (F): 1.326 ----- 1.144 0.392 0.125 0.258 RESID 107 (Y): 4.884 ----- -0.399 2.101 -1.509 0.594 RESID 108 (T): 1.839 ----- 1.008 2.523 1.163 0.241 RESID 113 (H): ----- ----- -1.019 ----- ----- -0.706 RESID 114 (A): -1.502 ----- 1.761 1.156 -0.009 0.494 RESID 115 (G): 2.862 ----- -0.427 0.793 ----- 0.066 RESID 116 (I): -0.083 ----- 0.018 -0.852 0.790 -0.036 RESID 117 (G): 3.476 ----- -0.929 -0.489 ----- -0.008 RESID 118 (S): -2.071 ----- -1.032 -1.066 1.352 -0.129 RESID 119 (R): 0.001 ----- -0.538 -1.712 0.551 -0.339 RESID 120 (L): -2.137 ----- -1.447 -0.158 0.179 0.318 RESID 121 (L): -0.336 ----- -2.023 -2.807 0.992 -0.605 RESID 122 (A): 1.584 ----- -1.515 -2.202 1.110 -1.201 RESID 123 (G): 1.035 ----- 0.336 -1.236 ----- -0.734 RESID 124 (S): -2.683 ----- -1.250 -3.084 0.891 -0.406 RESID 125 (T): -2.518 ----- -0.748 0.202 0.656 -0.281 RESID 126 (T): 0.382 ----- 0.616 -0.816 -0.054 -0.398 RESID 127 (G): 6.304 ----- -0.998 -0.548 ----- -0.007 RESID 128 (A): -0.940 ----- -1.097 -1.309 0.613 0.456 RESID 129 (L): 0.546 ----- -0.536 -1.338 0.649 0.419 RESID 130 (A): 2.298 ----- -1.536 -1.667 0.895 -0.222 RESID 131 (V): 0.507 ----- -1.088 -1.513 1.225 -0.192 RESID 132 (A): 2.117 ----- 0.295 -0.919 0.645 0.466 RESID 133 (V): -5.354 ----- -0.410 -0.110 -1.018 -0.251 RESID 134 (A): 1.112 ----- ----- 4.045 ----- 0.130 RESID 136 (P): ----- ----- -1.394 ----- ----- ----- RESID 137 (T): 4.007 ----- -1.978 -1.893 1.588 -0.091 RESID 138 (D): 1.368 ----- 0.049 -0.111 0.402 0.296 RESID 139 (V): 2.541 ----- -0.183 0.589 1.748 0.253 RESID 140 (V): -0.351 ----- -2.025 -0.310 1.010 0.495 RESID 141 (K): 0.121 ----- -3.045 -4.046 -0.542 0.164 RESID 142 (V): -0.024 ----- ----- -2.539 ----- 0.266 RESID 143 (R): ----- ----- -0.447 ----- ----- -0.023 RESID 144 (F): 0.980 ----- 1.331 0.350 ----- -0.167 RESID 145 (Q): 5.950 ----- -2.512 -1.644 1.279 0.199 RESID 146 (A): -0.793 ----- 0.125 0.137 -0.691 0.478 RESID 147 (Q): 0.534 ----- 1.132 0.294 1.325 0.514 RESID 148 (A): -2.089 ----- 0.781 1.646 -1.237 0.038 RESID 149 (R): 2.048 ----- ----- 0.429 1.411 -0.301 RESID 159 (T): ----- ----- -0.608 ----- ----- ----- RESID 160 (V): -2.807 ----- -0.144 -2.254 0.044 -0.245 RESID 161 (E): 2.569 ----- 0.541 0.534 0.798 -0.095 RESID 162 (A): -0.996 ----- 0.406 0.232 -0.596 -0.614 RESID 163 (Y): -0.558 ----- -0.358 0.331 -0.099 -0.083 RESID 164 (K): 0.948 ----- -0.488 1.911 0.585 1.274 RESID 165 (T): 1.870 ----- -0.955 0.613 0.684 -0.110 RESID 166 (I): 0.004 ----- 0.784 0.716 0.972 0.179 RESID 167 (A): -0.663 ----- -1.576 -0.150 0.433 0.271 RESID 168 (R): -2.827 ----- -1.116 -0.331 0.807 -0.140 RESID 169 (E): 1.109 ----- -0.774 -0.065 0.534 0.283 RESID 170 (E): 0.178 ----- 0.729 0.241 0.105 0.164 RESID 171 (G): 1.771 ----- -0.243 0.580 ----- 0.152 RESID 172 (I): 4.367 ----- -0.275 -0.121 0.859 0.235 RESID 173 (R): -2.081 ----- -0.492 -0.248 0.200 -0.088 RESID 174 (G): 0.117 ----- -0.807 0.246 ----- -0.209 RESID 175 (L): -0.577 ----- -0.235 -0.033 -0.115 0.276 RESID 176 (W): 0.053 ----- -1.078 0.938 1.675 -0.715 RESID 177 (K): 0.886 ----- -0.815 -2.476 0.748 0.112 RESID 178 (G): 5.390 ----- -1.724 0.028 ----- -0.129 RESID 179 (T): -4.174 ----- -1.457 -0.851 1.971 -0.191 RESID 180 (S): 1.838 ----- ----- -0.583 0.009 0.391 RESID 182 (N): ----- ----- 0.284 ----- ----- ----- RESID 183 (V): -2.286 ----- 0.431 -0.754 0.671 0.275 RESID 184 (A): 0.959 ----- -0.983 0.188 10.100 0.596 RESID 185 (R): -2.122 ----- -0.579 0.015 -0.314 -0.155 RESID 186 (N): -0.475 ----- -0.662 0.381 1.072 0.377 RESID 187 (A): -1.838 ----- -0.997 0.619 -0.589 -0.175 RESID 188 (I): -0.006 ----- -1.443 -1.038 -0.361 -0.396 RESID 189 (V): -0.481 ----- 0.006 -1.461 0.528 -0.027 RESID 190 (N): -0.615 ----- -0.573 0.286 -0.488 0.175 RESID 191 (C): 0.970 ----- -0.745 -1.261 14.920 -0.225 RESID 192 (A): -1.123 ----- -0.905 0.253 0.068 -0.406 RESID 193 (E): -5.056 ----- -2.062 -0.675 0.072 -0.712 RESID 194 (L): -1.038 ----- -2.046 -2.039 -0.072 -0.442 RESID 195 (V): -1.856 ----- -0.594 -1.883 -0.770 -0.037 RESID 196 (T): 6.806 ----- -1.207 -0.354 0.565 0.379 RESID 197 (Y): 0.486 ----- -0.025 -0.081 -0.199 0.744 RESID 198 (D): -1.499 ----- -0.928 0.067 0.438 0.371 RESID 199 (L): 1.463 ----- 1.021 0.673 0.820 0.302 RESID 200 (I): 2.759 ----- -0.539 2.469 1.415 0.290 RESID 201 (K): 2.573 ----- -1.110 1.606 -0.524 0.569 RESID 202 (D): 0.686 ----- 1.649 1.496 0.166 0.433 RESID 203 (T): 1.461 ----- ----- -0.614 -0.596 0.017 RESID 204 (L): ----- ----- 0.657 ----- ----- -0.673 RESID 205 (L): -1.731 ----- 4.747 1.840 -0.979 0.424 RESID 206 (K): -3.030 ----- 1.382 2.625 0.852 -0.900 RESID 207 (A): 0.250 ----- 0.331 0.838 1.607 -0.643 RESID 208 (N): -0.394 ----- 1.592 0.743 0.194 -0.273 RESID 212 (D): ----- ----- -0.755 ----- ----- ----- RESID 213 (D): -1.742 ----- -1.241 0.044 -0.306 -0.420 RESID 214 (L): 0.587 ----- ----- 1.325 -0.375 -0.430 RESID 215 (P): ----- ----- -0.851 -0.402 -0.906 ----- RESID 216 (C): -0.828 ----- -0.880 -4.327 13.246 0.011 RESID 217 (H): 0.219 ----- -0.039 -1.210 0.819 -0.347 RESID 218 (F): 2.230 ----- -1.405 -2.971 0.390 0.253 RESID 219 (T): 0.039 ----- -1.153 -2.279 -5.121 0.044 RESID 220 (S): -0.712 ----- -1.551 -0.323 0.399 0.292 RESID 221 (A): -0.930 ----- -1.515 -1.142 0.519 -0.188 RESID 222 (F): -4.027 ----- -1.671 -2.531 0.390 -0.712 RESID 223 (G): 1.993 ----- -1.604 -1.107 ----- -0.385 RESID 224 (A): -1.871 ----- -1.237 -0.922 0.595 -0.049 RESID 225 (G): 0.275 ----- -0.189 0.104 ----- -0.378 RESID 226 (F): -0.616 ----- -0.343 0.166 -1.140 0.079 RESID 227 (C): -0.467 ----- ----- -1.062 13.609 0.040 RESID 228 (T): ----- ----- 0.245 ----- ----- -0.263 RESID 229 (T): -2.009 ----- 0.566 -0.190 -0.239 -0.042 RESID 230 (V): -0.345 ----- 0.582 0.863 -0.197 0.955 RESID 231 (I): 2.598 ----- -0.424 1.202 -0.040 1.439 RESID 232 (A): 1.382 ----- -0.551 0.314 -0.320 0.162 RESID 233 (S): -0.953 ----- ----- -0.592 0.105 -0.181 RESID 234 (P): ----- ----- -0.629 ----- ----- ----- RESID 235 (V): -1.378 ----- -0.231 -0.539 -0.558 0.688 RESID 236 (D): 1.427 ----- -0.953 -0.198 -0.689 0.411 RESID 237 (V): -3.336 ----- ----- -1.064 -0.707 -0.333 RESID 238 (V): ----- ----- 0.474 ----- ----- 0.175 RESID 239 (K): 0.592 ----- 0.152 -0.696 -0.819 0.095 RESID 240 (T): 2.155 ----- -0.457 1.756 -1.055 -0.030 RESID 241 (R): -2.434 ----- ----- -0.514 0.861 -0.255 RESID 242 (Y): ----- ----- 0.763 ----- ----- 0.530 RESID 243 (M): -4.293 ----- 2.060 -1.591 ----- 1.016 RESID 244 (N): -5.297 ----- 1.565 6.520 -0.700 -0.221 RESID 245 (S): -2.613 ----- 2.784 -4.628 -2.224 0.037 RESID 246 (A): 4.314 ----- 0.705 4.195 0.226 -0.469 RESID 247 (L): -3.326 ----- -0.801 -0.948 -1.258 -0.490 RESID 248 (G): 2.768 ----- ----- -0.456 ----- 0.370 RESID 250 (Y): ----- ----- 1.659 ----- ----- -0.201 RESID 251 (H): 1.008 ----- -0.190 1.397 -1.177 -0.211 RESID 252 (S): -0.860 ----- 0.457 -0.071 -0.306 0.281 RESID 253 (A): -1.417 ----- -0.728 -0.004 0.430 -0.685 RESID 254 (G): 0.154 ----- -1.219 0.561 ----- -0.362 RESID 255 (H): -0.299 ----- 0.553 0.848 3.193 0.621 RESID 256 (C): -0.174 ----- -1.321 -3.987 14.554 0.069 RESID 257 (A): 0.459 ----- -0.339 -0.427 -0.854 0.483 RESID 258 (L): 1.873 ----- -1.260 -0.897 0.179 -0.136 RESID 259 (T): 0.872 ----- -0.627 0.501 -1.355 -0.124 RESID 260 (M): -0.979 ----- -0.492 -0.219 0.142 0.043 RESID 261 (L): -2.152 ----- -1.227 0.992 0.594 0.501 RESID 262 (R): -0.990 ----- ----- 0.289 0.269 0.218 RESID 266 (P): ----- ----- -1.401 0.937 ----- ----- RESID 267 (R): -1.656 ----- -0.205 0.334 0.749 0.033 RESID 268 (A): -0.083 ----- 0.907 -0.027 0.416 0.390 RESID 269 (F): 0.704 ----- -1.811 0.020 -0.328 0.257 RESID 270 (Y): -0.610 ----- -0.057 0.274 -0.113 0.137 RESID 271 (K): -0.216 ----- 1.751 0.682 -1.105 -0.094 RESID 272 (G): -1.579 ----- 0.881 0.783 ----- -0.534 RESID 273 (F): 2.404 ----- 0.078 0.547 1.724 0.188 RESID 277 (F): ----- ----- -0.244 0.406 0.151 -0.627 RESID 278 (L): -1.226 ----- -1.872 -1.653 1.302 0.310 RESID 279 (R): 0.215 ----- -2.457 -1.600 1.129 -0.384 RESID 280 (L): 0.489 ----- -1.668 -0.735 1.432 -0.761 RESID 281 (G): 0.305 ----- -2.268 -0.305 ----- 0.120 RESID 282 (S): -2.700 ----- -2.366 -2.610 -4.001 0.256 RESID 283 (W): -1.833 ----- -1.547 -2.542 0.859 -0.398 RESID 284 (N): 1.352 ----- ----- -0.994 1.130 -0.008 RESID 285 (V): ----- ----- -0.738 ----- ----- 0.424 RESID 286 (V): 1.927 ----- -0.484 -1.978 -1.514 0.416 RESID 287 (M): 1.168 ----- -0.568 -1.216 -0.688 1.084 RESID 288 (F): 2.436 ----- -1.515 -0.648 0.200 0.074 RESID 289 (V): 0.591 ----- ----- -2.496 -1.028 0.243 RESID 290 (T): ----- ----- -1.136 ----- ----- 0.438 RESID 291 (Y): -2.751 ----- -0.942 -0.155 -0.170 0.319 RESID 292 (E): -1.168 ----- -2.425 0.309 0.422 0.164 RESID 293 (Q): 0.280 ----- -2.223 0.460 0.379 0.199 RESID 294 (L): 2.445 ----- -0.225 1.978 -0.161 0.541 RESID 295 (K): -0.095 ----- ----- 0.717 -1.249 -0.227 RESID 296 (R): ----- ----- ----- ----- ----- 0.146 RESID 297 (A): ----- ----- 0.393 ----- ----- 0.044 RESID 298 (L): -3.115 ----- 1.404 3.071 -0.481 -0.401 RESID 299 (M): -1.257 ----- 3.626 3.392 0.452 -0.660 RESID 300 (A): -1.945 ----- 4.162 3.254 -1.670 0.154 RESID 301 (A): -7.080 ----- 0.786 0.722 -0.227 -0.811 RESID 302 (Y): -1.729 ----- -0.728 -0.410 1.259 -0.360 RESID 303 (Q): -1.551 ----- -1.385 -0.214 1.419 -0.498 RESID 304 (S): 0.254 ----- -1.527 -1.478 0.883 0.174 RESID 305 (R): 1.505 ----- -2.306 1.345 0.469 -0.262 RESID 306 (E): 2.131 ----- -0.863 1.202 0.897 0.218 RESID 307 (A): -2.524 ----- -0.431 1.849 1.067 0.249 DATA CS_STAT_INFO N RMS: 2.369 ppm Count: 236 Average Difference: -0.168 +/- 2.368 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.173 ppm Count: 239 Average Difference: 0.298 +/- 1.137 ppm DATA CS_STAT_INFO CA RMS: 1.556 ppm Count: 241 Average Difference: 0.075 +/- 1.557 ppm DATA CS_STAT_INFO CB RMS: 2.499 ppm Count: 215 Average Difference: -0.635 +/- 2.423 ppm DATA CS_STAT_INFO HN RMS: 0.428 ppm Count: 249 Average Difference: -0.071 +/- 0.423 ppm ############################################################################ For conformer 5: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 123.569 -0.474 RESID 15 (V): C 176.453 176.453 176.862 -0.409 RESID 15 (V): CA 63.979 63.979 60.543 3.436 RESID 15 (V): CB 32.507 32.507 34.189 -1.682 RESID 15 (V): H 8.053 8.053 8.209 -0.156 RESID 16 (K): N 123.075 123.075 121.888 1.187 RESID 16 (K): C 176.841 176.841 179.176 -2.335 RESID 16 (K): CA 59.762 59.762 59.795 -0.033 RESID 16 (K): CB 32.751 32.751 31.964 0.787 RESID 16 (K): H 8.059 8.059 8.773 -0.714 RESID 17 (F): N 118.838 118.838 120.158 -1.320 RESID 17 (F): C 175.443 175.443 177.411 -1.968 RESID 17 (F): CA 59.915 59.915 60.695 -0.780 RESID 17 (F): CB 39.659 39.659 38.898 0.761 RESID 17 (F): H 7.909 7.909 8.087 -0.178 RESID 18 (L): N 119.089 119.089 119.810 -0.721 RESID 18 (L): C 177.195 177.195 178.460 -1.265 RESID 18 (L): CA 55.385 55.385 56.558 -1.173 RESID 18 (L): CB 42.905 42.905 41.453 1.452 RESID 18 (L): H 7.814 7.814 8.026 -0.212 RESID 19 (G): N 108.484 108.484 107.784 0.700 RESID 19 (G): C 174.967 174.967 175.542 -0.575 RESID 19 (G): CA 45.518 45.518 47.115 -1.597 RESID 19 (G): H 8.032 8.032 8.418 -0.386 RESID 20 (A): N 124.208 124.208 124.033 0.175 RESID 20 (A): C 179.405 179.405 179.259 0.146 RESID 20 (A): CA 54.531 54.531 54.364 0.167 RESID 20 (A): CB 18.995 18.995 18.239 0.756 RESID 20 (A): H 8.318 8.318 8.166 0.152 RESID 21 (G): N 108.209 108.209 107.067 1.142 RESID 21 (G): C 175.676 175.676 176.053 -0.377 RESID 21 (G): CA 46.742 46.742 47.136 -0.394 RESID 21 (G): H 8.523 8.523 8.062 0.461 RESID 22 (T): N 119.542 119.542 114.796 4.746 RESID 22 (T): C 175.661 175.661 176.235 -0.574 RESID 22 (T): CA 66.401 66.401 64.755 1.646 RESID 22 (T): CB 68.866 68.866 68.856 0.010 RESID 22 (T): H 7.881 7.881 8.223 -0.342 RESID 23 (A): N 123.431 123.431 124.618 -1.187 RESID 23 (A): C 178.628 178.628 178.919 -0.291 RESID 23 (A): CA 55.480 55.480 54.955 0.525 RESID 23 (A): CB 18.218 18.218 18.189 0.029 RESID 23 (A): H 8.263 8.263 7.475 0.788 RESID 24 (A): N 119.939 119.939 120.502 -0.563 RESID 24 (A): C 179.172 179.172 179.080 0.092 RESID 24 (A): CA 55.038 55.038 55.008 0.030 RESID 24 (A): CB 18.385 18.385 18.122 0.263 RESID 24 (A): H 7.827 7.827 8.284 -0.457 RESID 25 (C): N 116.736 116.736 116.342 0.394 RESID 25 (C): C 176.220 176.220 176.748 -0.528 RESID 25 (C): CA 58.596 58.596 61.389 -2.793 RESID 25 (C): CB 41.771 41.771 27.917 13.854 RESID 25 (C): H 7.677 7.677 7.397 0.280 RESID 26 (I): N 119.154 119.154 121.789 -2.635 RESID 26 (I): C 176.915 176.915 176.743 0.172 RESID 26 (I): CA 64.858 64.858 63.218 1.640 RESID 26 (I): CB 38.090 38.090 38.139 -0.049 RESID 26 (I): H 7.899 7.899 7.571 0.328 RESID 27 (A): N 121.116 121.116 121.218 -0.102 RESID 27 (A): C 179.016 179.016 178.772 0.244 RESID 27 (A): CA 55.367 55.367 55.087 0.279 RESID 27 (A): CB 18.385 18.385 18.561 -0.176 RESID 27 (A): H 7.909 7.909 7.783 0.126 RESID 28 (D): N 116.829 116.829 116.993 -0.164 RESID 28 (D): C 177.643 177.643 178.197 -0.554 RESID 28 (D): CA 56.453 56.453 56.157 0.296 RESID 28 (D): CB 41.128 41.128 40.496 0.632 RESID 28 (D): H 7.554 7.554 7.608 -0.054 RESID 29 (L): N 119.672 119.672 121.383 -1.711 RESID 29 (L): C 178.628 178.628 178.718 -0.090 RESID 29 (L): CA 57.144 57.144 58.418 -1.274 RESID 29 (L): CB 43.146 43.146 42.182 0.964 RESID 29 (L): H 7.732 7.732 7.400 0.332 RESID 30 (I): N 113.629 113.629 115.251 -1.622 RESID 30 (I): C 176.456 176.456 176.349 0.107 RESID 30 (I): CA 60.539 60.539 62.811 -2.272 RESID 30 (I): CB 38.506 38.506 38.060 0.446 RESID 30 (I): H 7.977 7.977 7.440 0.537 RESID 31 (T): N 113.314 113.314 114.164 -0.850 RESID 31 (T): C 174.045 174.045 175.095 -1.050 RESID 31 (T): CA 62.495 62.495 63.514 -1.018 RESID 31 (T): CB 69.898 69.898 70.008 -0.110 RESID 31 (T): H 7.738 7.738 7.253 0.485 RESID 32 (F): N 123.409 123.409 123.645 -0.236 RESID 32 (F): CA 56.349 56.349 62.107 -5.758 RESID 32 (F): CB 39.148 39.148 37.565 1.583 RESID 32 (F): H 7.609 7.609 8.619 -1.010 RESID 33 (P): C 177.831 177.831 177.647 0.184 RESID 33 (P): CA 62.656 62.656 64.717 -2.061 RESID 33 (P): CB 34.762 34.762 30.983 3.779 RESID 34 (L): N 124.503 124.503 118.319 6.184 RESID 34 (L): C 176.298 176.298 178.736 -2.438 RESID 34 (L): CA 55.545 55.545 57.389 -1.844 RESID 34 (L): CB 43.287 43.287 41.466 1.821 RESID 34 (L): H 8.659 8.659 7.114 1.545 RESID 35 (D): N 121.663 121.663 119.022 2.641 RESID 35 (D): C 177.152 177.152 177.971 -0.819 RESID 35 (D): CA 54.326 54.326 57.286 -2.960 RESID 35 (D): CB 41.154 41.154 40.809 0.345 RESID 35 (D): H 8.236 8.236 7.604 0.632 RESID 36 (T): N 115.977 115.977 115.209 0.768 RESID 36 (T): C 177.088 177.088 176.062 1.026 RESID 36 (T): CA 64.868 64.868 66.637 -1.769 RESID 36 (T): CB 69.053 69.053 68.405 0.648 RESID 36 (T): H 8.127 8.127 7.651 0.476 RESID 37 (A): N 125.063 125.063 122.719 2.344 RESID 37 (A): C 179.143 179.143 179.056 0.087 RESID 37 (A): CA 55.234 55.234 55.360 -0.126 RESID 37 (A): CB 18.735 18.735 18.242 0.493 RESID 37 (A): H 8.042 8.042 7.618 0.424 RESID 38 (K): N 117.827 117.827 119.169 -1.342 RESID 38 (K): C 178.239 178.239 178.341 -0.102 RESID 38 (K): CA 58.861 58.861 58.977 -0.116 RESID 38 (K): CB 32.724 32.724 31.860 0.864 RESID 38 (K): H 7.759 7.759 7.417 0.342 RESID 39 (V): N 118.955 118.955 118.963 -0.008 RESID 39 (V): C 177.892 177.892 178.141 -0.249 RESID 39 (V): CA 65.478 65.478 64.440 1.038 RESID 39 (V): CB 34.675 34.675 31.901 2.774 RESID 39 (V): H 7.554 7.554 7.494 0.060 RESID 40 (R): N 119.922 119.922 117.770 2.152 RESID 40 (R): C 178.391 178.391 178.695 -0.304 RESID 40 (R): CA 59.648 59.648 58.032 1.616 RESID 40 (R): CB 29.933 29.933 29.975 -0.042 RESID 40 (R): H 7.794 7.794 7.549 0.245 RESID 41 (L): N 118.720 118.720 121.702 -2.982 RESID 41 (L): CA 54.749 54.749 54.745 0.004 RESID 41 (L): CB 40.429 40.429 39.556 0.873 RESID 41 (L): H 7.534 7.534 7.486 0.048 RESID 49 (G): C 174.779 174.779 174.977 -0.198 RESID 50 (L): N 123.029 123.029 122.128 0.901 RESID 50 (L): C 178.482 178.482 177.810 0.672 RESID 50 (L): CA 56.765 56.765 57.530 -0.765 RESID 50 (L): CB 41.673 41.673 41.669 0.004 RESID 50 (L): H 8.113 8.113 7.863 0.250 RESID 51 (V): N 118.714 118.714 116.302 2.412 RESID 51 (V): C 178.032 178.032 176.524 1.508 RESID 51 (V): CA 66.037 66.037 65.347 0.690 RESID 51 (V): CB 30.763 30.763 31.246 -0.483 RESID 51 (V): H 7.974 7.974 7.937 0.037 RESID 52 (R): N 121.569 121.569 117.317 4.252 RESID 52 (R): CA 59.167 59.167 58.012 1.155 RESID 52 (R): CB 29.437 29.437 29.409 0.028 RESID 52 (R): H 8.231 8.231 8.087 0.144 RESID 53 (T): C 175.108 175.108 175.264 -0.156 RESID 53 (T): H 7.948 7.948 7.551 0.397 RESID 54 (A): N 121.823 121.823 123.066 -1.243 RESID 54 (A): C 174.922 174.922 176.358 -1.436 RESID 54 (A): CA 50.101 50.101 51.783 -1.682 RESID 54 (A): CB 18.950 18.950 19.966 -1.016 RESID 54 (A): H 7.792 7.792 7.632 0.160 RESID 55 (A): N 113.986 113.986 118.215 -4.229 RESID 55 (A): C 178.007 178.007 177.098 0.909 RESID 55 (A): CA 53.458 53.458 52.300 1.158 RESID 55 (A): CB 18.809 18.809 19.569 -0.760 RESID 55 (A): H 7.333 7.333 8.185 -0.852 RESID 56 (S): N 125.425 125.425 114.315 11.110 RESID 56 (S): C 174.899 174.899 173.923 0.976 RESID 56 (S): CA 59.520 59.520 56.899 2.621 RESID 56 (S): CB 64.051 64.051 63.961 0.090 RESID 56 (S): H 7.786 7.786 7.853 -0.067 RESID 57 (A): N 118.183 118.183 121.393 -3.210 RESID 57 (A): CA 53.783 53.783 52.815 0.968 RESID 57 (A): CB 17.599 17.599 17.784 -0.185 RESID 57 (A): H 8.018 8.018 8.172 -0.154 RESID 59 (Y): C 177.662 177.662 176.116 1.546 RESID 60 (R): N 122.798 122.798 120.081 2.717 RESID 60 (R): C 177.956 177.956 176.466 1.490 RESID 60 (R): CA 58.711 58.711 57.230 1.481 RESID 60 (R): CB 30.659 30.659 30.114 0.545 RESID 60 (R): H 8.311 8.311 8.595 -0.284 RESID 61 (G): N 109.033 109.033 109.342 -0.309 RESID 61 (G): C 176.064 176.064 175.550 0.514 RESID 61 (G): CA 46.592 46.592 44.908 1.684 RESID 61 (G): H 8.182 8.182 8.164 0.018 RESID 62 (V): N 123.218 123.218 126.202 -2.984 RESID 62 (V): C 177.540 177.540 177.247 0.293 RESID 62 (V): CA 66.277 66.277 64.641 1.636 RESID 62 (V): CB 32.355 32.355 32.096 0.259 RESID 62 (V): H 8.105 8.105 8.491 -0.386 RESID 63 (L): N 120.295 120.295 119.344 0.951 RESID 63 (L): C 178.628 178.628 179.402 -0.774 RESID 63 (L): CA 58.366 58.366 57.749 0.617 RESID 63 (L): CB 41.675 41.675 40.307 1.368 RESID 63 (L): H 8.182 8.182 8.418 -0.236 RESID 64 (G): N 106.013 106.013 106.381 -0.368 RESID 64 (G): C 176.531 176.531 176.362 0.169 RESID 64 (G): CA 47.765 47.765 47.204 0.561 RESID 64 (G): H 8.102 8.102 7.851 0.251 RESID 65 (T): N 120.842 120.842 119.325 1.517 RESID 65 (T): C 176.453 176.453 176.635 -0.182 RESID 65 (T): CA 67.140 67.140 66.662 0.478 RESID 65 (T): CB 69.161 69.161 68.462 0.699 RESID 65 (T): H 7.854 7.854 7.448 0.406 RESID 66 (I): N 122.676 122.676 121.023 1.653 RESID 66 (I): C 177.307 177.307 177.754 -0.447 RESID 66 (I): CA 65.832 65.832 64.965 0.868 RESID 66 (I): CB 38.090 38.090 37.675 0.415 RESID 66 (I): H 8.018 8.018 7.433 0.585 RESID 67 (L): N 119.838 119.838 118.037 1.801 RESID 67 (L): C 178.706 178.706 178.702 0.004 RESID 67 (L): CA 58.491 58.491 57.797 0.694 RESID 67 (L): CB 41.387 41.387 41.461 -0.074 RESID 67 (L): H 8.291 8.291 7.568 0.723 RESID 68 (T): N 115.362 115.362 115.644 -0.282 RESID 68 (T): C 176.764 176.764 176.544 0.220 RESID 68 (T): CA 67.040 67.040 66.348 0.692 RESID 68 (T): CB 69.403 69.403 68.838 0.565 RESID 68 (T): H 7.963 7.963 7.351 0.612 RESID 69 (M): N 122.960 122.960 118.454 4.506 RESID 69 (M): C 177.153 177.153 178.294 -1.141 RESID 69 (M): CA 59.710 59.710 59.025 0.685 RESID 69 (M): CB 33.111 33.111 32.157 0.954 RESID 69 (M): H 7.977 7.977 7.565 0.412 RESID 70 (V): N 119.558 119.558 114.435 5.123 RESID 70 (V): C 176.841 176.841 177.368 -0.527 RESID 70 (V): CA 66.277 66.277 64.500 1.777 RESID 70 (V): CB 31.362 31.362 31.428 -0.066 RESID 70 (V): H 7.751 7.751 7.337 0.414 RESID 71 (R): N 118.002 118.002 119.111 -1.109 RESID 71 (R): C 177.152 177.152 178.023 -0.871 RESID 71 (R): CA 58.761 58.761 58.389 0.372 RESID 71 (R): CB 30.656 30.656 30.161 0.495 RESID 71 (R): H 7.827 7.827 7.669 0.158 RESID 72 (T): N 111.410 111.410 114.629 -3.219 RESID 72 (T): C 175.288 175.288 175.681 -0.393 RESID 72 (T): CA 64.194 64.194 65.892 -1.698 RESID 72 (T): CB 70.312 70.312 68.993 1.319 RESID 72 (T): H 7.745 7.745 7.675 0.070 RESID 73 (E): N 120.577 120.577 118.731 1.846 RESID 73 (E): C 177.696 177.696 176.649 1.047 RESID 73 (E): CA 57.363 57.363 56.722 0.640 RESID 73 (E): CB 30.927 30.927 31.797 -0.870 RESID 73 (E): H 8.263 8.263 7.914 0.349 RESID 74 (G): N 108.209 108.209 107.051 1.158 RESID 74 (G): CA 45.593 45.593 44.876 0.717 RESID 74 (G): H 7.841 7.841 7.456 0.385 RESID 75 (P): C 177.152 177.152 178.375 -1.223 RESID 75 (P): CA 65.652 65.652 64.593 1.059 RESID 75 (P): CB 32.294 32.294 32.119 0.175 RESID 76 (R): N 118.553 118.553 117.057 1.496 RESID 76 (R): C 177.696 177.696 177.675 0.021 RESID 76 (R): CA 59.785 59.785 58.260 1.525 RESID 76 (R): CB 29.671 29.671 29.390 0.281 RESID 76 (R): H 8.427 8.427 8.559 -0.132 RESID 77 (S): N 115.323 115.323 114.009 1.314 RESID 77 (S): C 177.230 177.230 176.155 1.075 RESID 77 (S): CA 61.318 61.318 60.699 0.619 RESID 77 (S): CB 63.281 63.281 63.516 -0.235 RESID 77 (S): H 7.963 7.963 8.035 -0.072 RESID 78 (L): N 122.598 122.598 122.157 0.441 RESID 78 (L): C 177.696 177.696 178.038 -0.342 RESID 78 (L): CA 57.792 57.792 56.919 0.874 RESID 78 (L): CB 42.202 42.202 42.403 -0.201 RESID 78 (L): H 7.595 7.595 7.835 -0.240 RESID 79 (Y): N 119.276 119.276 114.701 4.575 RESID 79 (Y): C 176.142 176.142 174.723 1.419 RESID 79 (Y): CA 60.792 60.792 58.796 1.996 RESID 79 (Y): CB 38.687 38.687 38.786 -0.099 RESID 79 (Y): H 7.868 7.868 7.609 0.259 RESID 80 (N): N 117.249 117.249 116.742 0.507 RESID 80 (N): C 178.472 178.472 175.531 2.941 RESID 80 (N): CA 53.024 53.024 52.100 0.924 RESID 80 (N): CB 37.946 37.946 39.691 -1.745 RESID 80 (N): H 8.374 8.374 7.403 0.971 RESID 81 (G): N 108.575 108.575 109.756 -1.181 RESID 81 (G): C 175.521 175.521 175.507 0.014 RESID 81 (G): CA 46.266 46.266 45.860 0.406 RESID 81 (G): H 8.086 8.086 8.672 -0.586 RESID 82 (L): N 124.326 124.326 119.705 4.621 RESID 82 (L): C 178.239 178.239 177.846 0.393 RESID 82 (L): CA 58.217 58.217 57.749 0.468 RESID 82 (L): CB 42.351 42.351 41.319 1.032 RESID 82 (L): H 7.991 7.991 7.800 0.191 RESID 83 (V): N 117.727 117.727 118.021 -0.294 RESID 83 (V): C 177.851 177.851 176.906 0.945 RESID 83 (V): CA 64.113 64.113 64.271 -0.158 RESID 83 (V): CB 31.924 31.924 31.020 0.904 RESID 83 (V): H 8.004 8.004 7.975 0.029 RESID 84 (A): N 121.414 121.414 121.568 -0.154 RESID 84 (A): C 180.570 180.570 179.607 0.963 RESID 84 (A): CA 55.031 55.031 54.430 0.601 RESID 84 (A): CB 18.286 18.286 18.584 -0.298 RESID 84 (A): H 7.677 7.677 7.210 0.467 RESID 85 (G): N 106.471 106.471 107.200 -0.729 RESID 85 (G): C 175.521 175.521 176.002 -0.481 RESID 85 (G): CA 47.191 47.191 46.575 0.616 RESID 85 (G): H 7.963 7.963 7.684 0.279 RESID 86 (L): N 122.326 122.326 121.720 0.606 RESID 86 (L): C 178.239 178.239 179.011 -0.772 RESID 86 (L): CA 57.493 57.493 57.506 -0.013 RESID 86 (L): CB 42.202 42.202 41.614 0.588 RESID 86 (L): H 8.100 8.100 7.392 0.708 RESID 87 (Q): N 117.736 117.736 117.265 0.471 RESID 87 (Q): C 177.340 177.340 178.299 -0.959 RESID 87 (Q): CA 57.787 57.787 58.980 -1.193 RESID 87 (Q): CB 28.942 28.942 28.174 0.768 RESID 87 (Q): H 8.004 8.004 7.790 0.214 RESID 88 (R): N 118.107 118.107 118.673 -0.566 RESID 88 (R): C 177.930 177.930 178.928 -0.998 RESID 88 (R): CA 58.062 58.062 58.867 -0.805 RESID 88 (R): CB 30.774 30.774 29.468 1.306 RESID 88 (R): H 7.568 7.568 7.439 0.129 RESID 89 (Q): N 117.921 117.921 118.537 -0.616 RESID 89 (Q): C 177.375 177.375 178.588 -1.213 RESID 89 (Q): CA 56.838 56.838 58.213 -1.375 RESID 89 (Q): CB 29.006 29.006 28.529 0.477 RESID 89 (Q): H 7.827 7.827 7.520 0.307 RESID 90 (M): N 118.378 118.378 120.111 -1.733 RESID 90 (M): C 176.365 176.365 178.222 -1.857 RESID 90 (M): CA 56.339 56.339 58.833 -2.494 RESID 90 (M): CB 33.444 33.444 32.796 0.648 RESID 90 (M): H 7.963 7.963 8.379 -0.416 RESID 91 (S): N 115.089 115.089 114.949 0.140 RESID 91 (S): C 175.899 175.899 176.587 -0.688 RESID 91 (S): CA 58.621 58.621 61.604 -2.983 RESID 91 (S): CB 64.337 64.337 62.859 1.478 RESID 91 (S): H 7.868 7.868 7.873 -0.005 RESID 92 (F): N 122.852 122.852 122.930 -0.078 RESID 92 (F): C 177.375 177.375 176.373 1.002 RESID 92 (F): CA 59.095 59.095 61.601 -2.506 RESID 92 (F): CB 38.937 38.937 39.070 -0.133 RESID 92 (F): H 8.332 8.332 7.594 0.738 RESID 93 (A): N 123.258 123.258 119.996 3.262 RESID 93 (A): C 178.628 178.628 179.004 -0.376 RESID 93 (A): CA 54.881 54.881 54.175 0.706 RESID 93 (A): CB 17.902 17.902 18.178 -0.276 RESID 93 (A): H 8.223 8.223 7.742 0.481 RESID 94 (S): N 112.886 112.886 114.640 -1.754 RESID 94 (S): C 176.831 176.831 177.180 -0.349 RESID 94 (S): CA 60.319 60.319 61.188 -0.869 RESID 94 (S): CB 63.611 63.611 63.618 -0.007 RESID 94 (S): H 7.977 7.977 7.642 0.335 RESID 95 (V): N 121.854 121.854 118.485 3.369 RESID 95 (V): C 176.220 176.220 176.199 0.021 RESID 95 (V): CA 64.629 64.629 65.053 -0.424 RESID 95 (V): CB 31.328 31.328 31.116 0.211 RESID 95 (V): H 7.581 7.581 7.933 -0.352 RESID 96 (R): N 121.329 121.329 119.018 2.311 RESID 96 (R): C 176.814 176.814 176.714 0.100 RESID 96 (R): CA 58.636 58.636 57.744 0.892 RESID 96 (R): CB 30.672 30.672 29.040 1.632 RESID 96 (R): H 7.936 7.936 7.160 0.776 RESID 97 (I): N 119.194 119.194 118.846 0.348 RESID 97 (I): C 177.152 177.152 176.004 1.148 RESID 97 (I): CA 63.296 63.296 61.624 1.672 RESID 97 (I): CB 38.757 38.757 38.297 0.460 RESID 97 (I): H 7.802 7.802 7.518 0.284 RESID 98 (G): N 109.857 109.857 107.968 1.889 RESID 98 (G): C 176.064 176.064 174.958 1.106 RESID 98 (G): CA 46.941 46.941 46.156 0.786 RESID 98 (G): H 8.127 8.127 7.735 0.392 RESID 99 (L): N 123.258 123.258 122.861 0.397 RESID 99 (L): C 177.856 177.856 178.268 -0.412 RESID 99 (L): CA 58.264 58.264 57.411 0.853 RESID 99 (L): CB 42.488 42.488 42.046 0.442 RESID 99 (L): H 8.223 8.223 8.526 -0.303 RESID 100 (Y): N 119.770 119.770 119.400 0.370 RESID 100 (Y): C 176.997 176.997 177.645 -0.648 RESID 100 (Y): CA 61.592 61.592 62.035 -0.443 RESID 100 (Y): CB 38.809 38.809 37.987 0.822 RESID 100 (Y): H 8.207 8.207 7.849 0.358 RESID 101 (D): N 118.460 118.460 118.111 0.349 RESID 101 (D): C 178.939 178.939 178.629 0.310 RESID 101 (D): CA 57.797 57.797 57.078 0.719 RESID 101 (D): CB 40.498 40.498 40.560 -0.062 RESID 101 (D): H 8.401 8.401 8.438 -0.037 RESID 102 (S): N 116.022 116.022 114.969 1.053 RESID 102 (S): C 176.005 176.005 176.269 -0.264 RESID 102 (S): CA 62.791 62.791 61.584 1.207 RESID 102 (S): CB 64.211 64.211 63.361 0.850 RESID 102 (S): H 7.854 7.854 7.797 0.057 RESID 103 (V): N 120.844 120.844 120.069 0.775 RESID 103 (V): C 177.307 177.307 177.255 0.052 RESID 103 (V): CA 66.510 66.510 65.145 1.365 RESID 103 (V): CB 31.965 31.965 31.057 0.908 RESID 103 (V): H 7.926 7.926 7.596 0.330 RESID 104 (K): N 120.468 120.468 119.964 0.504 RESID 104 (K): C 178.861 178.861 178.643 0.218 RESID 104 (K): CA 60.184 60.184 59.649 0.535 RESID 104 (K): CB 31.979 31.979 32.365 -0.387 RESID 104 (K): H 8.127 8.127 7.695 0.432 RESID 105 (Q): N 118.386 118.386 116.961 1.425 RESID 105 (Q): C 177.540 177.540 178.181 -0.641 RESID 105 (Q): CA 58.786 58.786 57.839 0.947 RESID 105 (Q): CB 28.377 28.377 28.729 -0.352 RESID 105 (Q): H 7.841 7.841 7.703 0.138 RESID 106 (F): N 119.471 119.471 118.294 1.177 RESID 106 (F): C 176.531 176.531 175.997 0.534 RESID 106 (F): CA 60.593 60.593 60.479 0.114 RESID 106 (F): CB 39.459 39.459 39.543 -0.084 RESID 106 (F): H 7.772 7.772 7.443 0.329 RESID 107 (Y): N 118.288 118.288 113.979 4.309 RESID 107 (Y): C 176.220 176.220 176.898 -0.678 RESID 107 (Y): CA 60.543 60.543 56.584 3.959 RESID 107 (Y): CB 38.819 38.819 39.196 -0.377 RESID 107 (Y): H 8.045 8.045 7.367 0.678 RESID 108 (T): N 113.383 113.383 113.237 0.146 RESID 108 (T): C 175.288 175.288 174.237 1.051 RESID 108 (T): CA 64.094 64.094 62.427 1.667 RESID 108 (T): CB 69.986 69.986 68.539 1.447 RESID 108 (T): H 7.868 7.868 7.588 0.280 RESID 113 (H): C 173.413 173.413 173.863 -0.450 RESID 113 (H): H 7.968 7.968 8.145 -0.177 RESID 114 (A): N 119.456 119.456 124.087 -4.631 RESID 114 (A): C 177.851 177.851 176.417 1.434 RESID 114 (A): CA 53.283 53.283 52.549 0.734 RESID 114 (A): CB 19.362 19.362 19.122 0.240 RESID 114 (A): H 8.433 8.433 8.053 0.380 RESID 115 (G): N 108.484 108.484 105.412 3.072 RESID 115 (G): C 174.822 174.822 174.988 -0.166 RESID 115 (G): CA 45.968 45.968 45.198 0.770 RESID 115 (G): H 8.250 8.250 8.141 0.109 RESID 116 (I): N 121.139 121.139 121.793 -0.654 RESID 116 (I): C 176.841 176.841 177.813 -0.972 RESID 116 (I): CA 63.160 63.160 63.305 -0.145 RESID 116 (I): CB 38.853 38.853 37.337 1.516 RESID 116 (I): H 8.127 8.127 8.150 -0.023 RESID 117 (G): N 110.863 110.863 107.163 3.700 RESID 117 (G): C 174.588 174.588 176.470 -1.882 RESID 117 (G): CA 46.791 46.791 47.275 -0.484 RESID 117 (G): H 8.509 8.509 8.350 0.159 RESID 118 (S): N 116.069 116.069 117.218 -1.149 RESID 118 (S): C 175.754 175.754 176.509 -0.755 RESID 118 (S): CA 60.319 60.319 61.468 -1.149 RESID 118 (S): CB 63.864 63.864 62.962 0.901 RESID 118 (S): H 7.991 7.991 8.035 -0.044 RESID 119 (R): N 122.134 122.134 121.715 0.419 RESID 119 (R): C 178.228 178.228 178.502 -0.274 RESID 119 (R): CA 57.787 57.787 59.502 -1.714 RESID 119 (R): CB 30.549 30.549 30.151 0.398 RESID 119 (R): H 7.963 7.963 8.214 -0.251 RESID 120 (L): N 120.403 120.403 120.273 0.130 RESID 120 (L): C 177.230 177.230 179.196 -1.966 RESID 120 (L): CA 57.967 57.967 57.947 0.020 RESID 120 (L): CB 42.146 42.146 41.761 0.385 RESID 120 (L): H 7.914 7.914 7.516 0.398 RESID 121 (L): N 118.960 118.960 119.826 -0.866 RESID 121 (L): C 177.152 177.152 179.615 -2.463 RESID 121 (L): CA 55.495 55.495 57.686 -2.191 RESID 121 (L): CB 42.238 42.238 41.394 0.844 RESID 121 (L): H 7.718 7.718 8.144 -0.426 RESID 122 (A): N 123.063 123.063 121.490 1.573 RESID 122 (A): C 178.317 178.317 179.755 -1.438 RESID 122 (A): CA 53.358 53.358 55.499 -2.141 RESID 122 (A): CB 19.218 19.218 18.175 1.043 RESID 122 (A): H 7.745 7.745 8.824 -1.079 RESID 123 (G): N 107.843 107.843 106.572 1.271 RESID 123 (G): C 176.912 176.912 176.369 0.543 RESID 123 (G): CA 45.943 45.943 46.790 -0.847 RESID 123 (G): H 8.113 8.113 8.689 -0.576 RESID 124 (S): N 116.105 116.105 117.248 -1.143 RESID 124 (S): C 175.574 175.574 176.681 -1.107 RESID 124 (S): CA 59.145 59.145 61.728 -2.583 RESID 124 (S): CB 64.211 64.211 62.836 1.375 RESID 124 (S): H 8.109 8.109 8.458 -0.349 RESID 125 (T): N 116.069 116.069 118.705 -2.636 RESID 125 (T): C 176.055 176.055 176.733 -0.678 RESID 125 (T): CA 66.921 66.921 66.615 0.306 RESID 125 (T): CB 69.682 69.682 68.679 1.003 RESID 125 (T): H 8.086 8.086 8.352 -0.266 RESID 126 (T): N 115.439 115.439 117.294 -1.855 RESID 126 (T): C 177.443 177.443 176.591 0.852 RESID 126 (T): CA 65.285 65.285 66.014 -0.729 RESID 126 (T): CB 68.364 68.364 68.299 0.065 RESID 126 (T): H 7.977 7.977 8.281 -0.304 RESID 127 (G): N 115.453 115.453 108.428 7.025 RESID 127 (G): C 174.215 174.215 175.080 -0.865 RESID 127 (G): CA 46.117 46.117 46.907 -0.790 RESID 127 (G): H 8.168 8.168 8.022 0.146 RESID 128 (A): N 123.952 123.952 124.390 -0.438 RESID 128 (A): C 178.162 178.162 179.830 -1.668 RESID 128 (A): CA 53.349 53.349 54.867 -1.518 RESID 128 (A): CB 19.099 19.099 18.279 0.820 RESID 128 (A): H 7.919 7.919 7.451 0.468 RESID 129 (L): N 120.025 120.025 118.614 1.411 RESID 129 (L): C 177.949 177.949 179.165 -1.216 RESID 129 (L): CA 56.019 56.019 57.499 -1.480 RESID 129 (L): CB 42.340 42.340 41.103 1.237 RESID 129 (L): H 7.936 7.936 7.643 0.293 RESID 130 (A): N 123.402 123.402 121.751 1.651 RESID 130 (A): C 177.929 177.929 179.566 -1.637 RESID 130 (A): CA 53.283 53.283 54.985 -1.702 RESID 130 (A): CB 18.964 18.964 18.532 0.432 RESID 130 (A): H 7.868 7.868 8.128 -0.260 RESID 131 (V): N 118.111 118.111 114.475 3.636 RESID 131 (V): C 176.025 176.025 177.530 -1.505 RESID 131 (V): CA 63.180 63.180 64.874 -1.694 RESID 131 (V): CB 32.898 32.898 31.393 1.505 RESID 131 (V): H 7.636 7.636 7.939 -0.303 RESID 132 (A): N 124.047 124.047 122.919 1.128 RESID 132 (A): C 179.008 179.008 178.553 0.455 RESID 132 (A): CA 53.707 53.707 54.574 -0.867 RESID 132 (A): CB 19.150 19.150 18.714 0.436 RESID 132 (A): H 7.911 7.911 7.639 0.272 RESID 133 (V): N 113.349 113.349 117.350 -4.001 RESID 133 (V): C 175.527 175.527 175.695 -0.168 RESID 133 (V): CA 64.115 64.115 63.347 0.768 RESID 133 (V): CB 31.832 31.832 32.641 -0.808 RESID 133 (V): H 7.094 7.094 7.562 -0.468 RESID 134 (A): N 123.224 123.224 120.273 2.951 RESID 134 (A): CA 55.493 55.493 51.192 4.301 RESID 134 (A): H 7.586 7.586 7.416 0.170 RESID 136 (P): C 177.074 177.074 178.897 -1.823 RESID 137 (T): N 113.281 113.281 110.568 2.713 RESID 137 (T): C 174.485 174.485 176.401 -1.916 RESID 137 (T): CA 64.496 64.496 66.410 -1.914 RESID 137 (T): CB 69.997 69.997 68.596 1.401 RESID 137 (T): H 7.963 7.963 8.227 -0.264 RESID 138 (D): N 122.770 122.770 121.738 1.032 RESID 138 (D): C 178.458 178.458 178.502 -0.044 RESID 138 (D): CA 56.776 56.776 58.035 -1.260 RESID 138 (D): CB 41.023 41.023 40.543 0.480 RESID 138 (D): H 8.094 8.094 7.747 0.347 RESID 139 (V): N 119.931 119.931 119.570 0.361 RESID 139 (V): C 177.502 177.502 177.874 -0.372 RESID 139 (V): CA 66.455 66.455 66.249 0.206 RESID 139 (V): CB 32.804 32.804 31.615 1.189 RESID 139 (V): H 7.753 7.753 7.536 0.217 RESID 140 (V): N 120.539 120.539 120.105 0.434 RESID 140 (V): C 176.232 176.232 177.339 -1.107 RESID 140 (V): CA 66.770 66.770 66.713 0.056 RESID 140 (V): CB 32.086 32.086 31.857 0.229 RESID 140 (V): H 8.295 8.295 8.074 0.221 RESID 141 (K): N 120.122 120.122 120.140 -0.018 RESID 141 (K): C 176.120 176.120 179.154 -3.034 RESID 141 (K): CA 55.991 55.991 59.603 -3.612 RESID 141 (K): CB 31.712 31.712 32.010 -0.298 RESID 141 (K): H 7.698 7.698 7.688 0.010 RESID 142 (V): N 120.104 120.104 119.330 0.774 RESID 142 (V): CA 63.230 63.230 66.262 -3.032 RESID 142 (V): H 7.772 7.772 7.399 0.373 RESID 143 (R): C 178.401 178.401 178.807 -0.406 RESID 143 (R): H 7.999 7.999 7.521 0.478 RESID 144 (F): N 120.445 120.445 120.395 0.050 RESID 144 (F): C 177.856 177.856 176.291 1.565 RESID 144 (F): CA 61.438 61.438 60.976 0.462 RESID 144 (F): H 8.395 8.395 8.561 -0.166 RESID 145 (Q): N 124.180 124.180 117.051 7.129 RESID 145 (Q): C 174.844 174.844 177.640 -2.796 RESID 145 (Q): CA 56.414 56.414 58.424 -2.010 RESID 145 (Q): CB 30.721 30.721 28.952 1.769 RESID 145 (Q): H 8.094 8.094 7.791 0.303 RESID 146 (A): N 120.452 120.452 120.442 0.010 RESID 146 (A): C 177.929 177.929 177.611 0.318 RESID 146 (A): CA 53.483 53.483 53.021 0.462 RESID 146 (A): CB 18.431 18.431 18.885 -0.454 RESID 146 (A): H 7.939 7.939 7.372 0.567 RESID 147 (Q): N 119.388 119.388 118.858 0.530 RESID 147 (Q): C 176.029 176.029 175.053 0.976 RESID 147 (Q): CA 56.339 56.339 56.456 -0.117 RESID 147 (Q): CB 29.444 29.444 28.337 1.107 RESID 147 (Q): H 8.072 8.072 7.573 0.499 RESID 148 (A): N 125.199 125.199 129.440 -4.241 RESID 148 (A): C 177.766 177.766 178.317 -0.551 RESID 148 (A): CA 53.108 53.108 52.939 0.169 RESID 148 (A): CB 19.151 19.151 19.412 -0.261 RESID 148 (A): H 8.055 8.055 8.160 -0.105 RESID 149 (R): N 120.208 120.208 119.680 0.528 RESID 149 (R): CA 56.414 56.414 55.697 0.717 RESID 149 (R): CB 30.749 30.749 29.788 0.961 RESID 149 (R): H 8.018 8.018 8.257 -0.239 RESID 159 (T): C 175.928 175.928 176.321 -0.393 RESID 160 (V): N 118.321 118.321 121.020 -2.699 RESID 160 (V): C 177.749 177.749 177.962 -0.213 RESID 160 (V): CA 64.126 64.126 66.432 -2.306 RESID 160 (V): CB 31.343 31.343 31.465 -0.122 RESID 160 (V): H 8.073 8.073 7.895 0.178 RESID 161 (E): N 122.379 122.379 119.731 2.648 RESID 161 (E): C 178.783 178.783 177.864 0.919 RESID 161 (E): CA 59.550 59.550 59.197 0.353 RESID 161 (E): CB 29.597 29.597 28.986 0.611 RESID 161 (E): H 8.204 8.204 8.422 -0.218 RESID 162 (A): N 122.845 122.845 122.642 0.203 RESID 162 (A): C 179.948 179.948 179.319 0.629 RESID 162 (A): CA 55.181 55.181 55.102 0.079 RESID 162 (A): CB 18.154 18.154 18.499 -0.345 RESID 162 (A): H 7.786 7.786 8.408 -0.622 RESID 163 (Y): N 118.902 118.902 119.801 -0.899 RESID 163 (Y): C 177.273 177.273 177.597 -0.324 RESID 163 (Y): CA 61.068 61.068 61.633 -0.565 RESID 163 (Y): CB 37.898 37.898 38.702 -0.804 RESID 163 (Y): H 7.922 7.922 7.995 -0.073 RESID 164 (K): N 119.939 119.939 118.364 1.575 RESID 164 (K): C 178.239 178.239 178.996 -0.757 RESID 164 (K): CA 60.309 60.309 59.097 1.212 RESID 164 (K): CB 32.504 32.504 32.366 0.138 RESID 164 (K): H 8.223 8.223 7.679 0.544 RESID 165 (T): N 115.262 115.262 115.512 -0.250 RESID 165 (T): C 175.676 175.676 176.398 -0.722 RESID 165 (T): CA 66.516 66.516 67.323 -0.807 RESID 165 (T): CB 69.367 69.367 68.437 0.930 RESID 165 (T): H 7.745 7.745 7.576 0.169 RESID 166 (I): N 121.571 121.571 118.640 2.931 RESID 166 (I): C 177.307 177.307 177.129 0.178 RESID 166 (I): CA 64.634 64.634 63.043 1.591 RESID 166 (I): CB 38.896 38.896 35.593 3.303 RESID 166 (I): H 7.540 7.540 7.446 0.094 RESID 167 (A): N 121.983 121.983 123.433 -1.450 RESID 167 (A): C 178.395 178.395 180.280 -1.885 RESID 167 (A): CA 54.656 54.656 54.906 -0.250 RESID 167 (A): CB 18.486 18.486 18.212 0.274 RESID 167 (A): H 8.059 8.059 7.804 0.255 RESID 168 (R): N 116.369 116.369 118.449 -2.080 RESID 168 (R): C 177.307 177.307 178.451 -1.144 RESID 168 (R): CA 58.486 58.486 58.639 -0.152 RESID 168 (R): CB 30.930 30.930 29.704 1.226 RESID 168 (R): H 7.690 7.690 7.562 0.128 RESID 169 (E): N 118.667 118.667 118.161 0.506 RESID 169 (E): C 177.696 177.696 178.304 -0.608 RESID 169 (E): CA 58.212 58.212 58.281 -0.068 RESID 169 (E): CB 30.357 30.357 30.056 0.301 RESID 169 (E): H 8.045 8.045 7.620 0.425 RESID 170 (E): N 118.202 118.202 117.936 0.266 RESID 170 (E): C 177.878 177.878 176.767 1.111 RESID 170 (E): CA 57.363 57.363 56.444 0.919 RESID 170 (E): CB 31.277 31.277 30.744 0.533 RESID 170 (E): H 8.550 8.550 8.434 0.116 RESID 171 (G): N 108.941 108.941 107.458 1.483 RESID 171 (G): C 174.433 174.433 175.246 -0.813 RESID 171 (G): CA 45.193 45.193 44.540 0.653 RESID 171 (G): H 7.881 7.881 7.605 0.276 RESID 172 (I): N 120.842 120.842 120.918 -0.076 RESID 172 (I): C 176.997 176.997 177.803 -0.806 RESID 172 (I): CA 63.810 63.810 63.775 0.035 RESID 172 (I): CB 38.516 38.516 38.082 0.434 RESID 172 (I): H 8.550 8.550 8.407 0.143 RESID 173 (R): N 119.480 119.480 121.029 -1.549 RESID 173 (R): C 178.084 178.084 178.587 -0.503 RESID 173 (R): CA 58.711 58.711 59.187 -0.476 RESID 173 (R): CB 29.796 29.796 29.714 0.082 RESID 173 (R): H 8.277 8.277 8.536 -0.259 RESID 174 (G): N 106.379 106.379 107.205 -0.826 RESID 174 (G): C 175.210 175.210 176.014 -0.804 RESID 174 (G): CA 46.767 46.767 46.749 0.018 RESID 174 (G): H 7.690 7.690 8.318 -0.628 RESID 175 (L): N 120.664 120.664 121.728 -1.064 RESID 175 (L): C 177.971 177.971 178.278 -0.307 RESID 175 (L): CA 57.104 57.104 57.221 -0.117 RESID 175 (L): CB 42.559 42.559 41.866 0.693 RESID 175 (L): H 7.554 7.554 7.237 0.317 RESID 176 (W): N 117.031 117.031 117.806 -0.775 RESID 176 (W): C 176.987 176.987 177.781 -0.794 RESID 176 (W): CA 57.672 57.672 59.183 -1.511 RESID 176 (W): CB 29.796 29.796 29.012 0.784 RESID 176 (W): H 7.499 7.499 7.856 -0.357 RESID 177 (K): N 120.567 120.567 120.018 0.549 RESID 177 (K): C 177.152 177.152 177.881 -0.729 RESID 177 (K): CA 57.712 57.712 59.374 -1.662 RESID 177 (K): CB 32.890 32.890 32.058 0.832 RESID 177 (K): H 7.595 7.595 7.436 0.159 RESID 178 (G): N 108.667 108.667 103.783 4.884 RESID 178 (G): C 174.045 174.045 175.821 -1.776 RESID 178 (G): CA 45.893 45.893 45.386 0.507 RESID 178 (G): H 7.881 7.881 8.097 -0.216 RESID 179 (T): N 115.080 115.080 118.786 -3.706 RESID 179 (T): C 175.192 175.192 176.273 -1.081 RESID 179 (T): CA 66.521 66.521 67.497 -0.976 RESID 179 (T): CB 70.079 70.079 68.346 1.733 RESID 179 (T): H 7.622 7.622 7.634 -0.012 RESID 180 (S): N 117.754 117.754 116.564 1.190 RESID 180 (S): CA 63.123 63.123 63.364 -0.241 RESID 180 (S): CB 62.045 62.045 61.769 0.276 RESID 180 (S): H 8.195 8.195 7.944 0.251 RESID 182 (N): C 177.348 177.348 177.610 -0.262 RESID 183 (V): N 118.118 118.118 120.112 -1.994 RESID 183 (V): C 176.944 176.944 177.486 -0.542 RESID 183 (V): CA 65.244 65.244 66.523 -1.279 RESID 183 (V): CB 32.508 32.508 31.696 0.812 RESID 183 (V): H 7.861 7.861 7.553 0.308 RESID 184 (A): N 122.284 122.284 121.766 0.518 RESID 184 (A): C 178.317 178.317 179.203 -0.886 RESID 184 (A): CA 55.339 55.339 55.305 0.034 RESID 184 (A): CB 28.230 28.230 18.055 10.175 RESID 184 (A): H 8.097 8.097 7.638 0.459 RESID 185 (R): N 117.321 117.321 119.274 -1.953 RESID 185 (R): C 177.527 177.527 178.309 -0.782 RESID 185 (R): CA 59.543 59.543 59.219 0.324 RESID 185 (R): CB 29.767 29.767 29.870 -0.103 RESID 185 (R): H 7.611 7.611 8.112 -0.501 RESID 186 (N): N 117.294 117.294 117.735 -0.441 RESID 186 (N): C 176.599 176.599 177.457 -0.858 RESID 186 (N): CA 56.659 56.659 56.465 0.195 RESID 186 (N): CB 39.454 39.454 38.370 1.085 RESID 186 (N): H 8.048 8.048 7.780 0.268 RESID 187 (A): N 121.003 121.003 123.474 -2.471 RESID 187 (A): C 178.713 178.713 179.474 -0.761 RESID 187 (A): CA 55.520 55.520 55.006 0.514 RESID 187 (A): CB 18.097 18.097 18.619 -0.522 RESID 187 (A): H 7.322 7.322 7.711 -0.389 RESID 188 (I): N 119.319 119.319 118.864 0.455 RESID 188 (I): C 176.634 176.634 178.063 -1.429 RESID 188 (I): CA 64.225 64.225 64.520 -0.295 RESID 188 (I): CB 37.658 37.658 37.138 0.520 RESID 188 (I): H 7.779 7.779 8.136 -0.357 RESID 189 (V): N 117.265 117.265 118.111 -0.846 RESID 189 (V): C 177.529 177.529 177.661 -0.132 RESID 189 (V): CA 65.562 65.562 66.352 -0.790 RESID 189 (V): CB 31.407 31.407 30.817 0.590 RESID 189 (V): H 7.776 7.776 8.055 -0.279 RESID 190 (N): N 118.736 118.736 119.179 -0.443 RESID 190 (N): C 176.476 176.476 177.085 -0.609 RESID 190 (N): CA 56.813 56.813 55.972 0.841 RESID 190 (N): CB 38.268 38.268 37.531 0.737 RESID 190 (N): H 7.800 7.800 7.834 -0.034 RESID 191 (C): N 120.152 120.152 119.790 0.362 RESID 191 (C): C 175.831 175.831 176.549 -0.718 RESID 191 (C): CA 60.293 60.293 62.970 -2.677 RESID 191 (C): CB 41.566 41.566 26.992 14.574 RESID 191 (C): H 7.784 7.784 7.746 0.038 RESID 192 (A): N 121.963 121.963 122.202 -0.239 RESID 192 (A): C 178.395 178.395 179.567 -1.172 RESID 192 (A): CA 55.280 55.280 55.381 -0.101 RESID 192 (A): CB 18.008 18.008 18.225 -0.217 RESID 192 (A): H 8.141 8.141 8.732 -0.591 RESID 193 (E): N 114.548 114.548 119.562 -5.014 RESID 193 (E): C 176.764 176.764 178.742 -1.978 RESID 193 (E): CA 58.262 58.262 59.430 -1.168 RESID 193 (E): CB 29.342 29.342 29.399 -0.057 RESID 193 (E): H 7.595 7.595 8.451 -0.856 RESID 194 (L): N 117.659 117.659 120.289 -2.630 RESID 194 (L): C 176.904 176.904 178.494 -1.590 RESID 194 (L): CA 55.695 55.695 58.246 -2.551 RESID 194 (L): CB 41.655 41.655 41.976 -0.321 RESID 194 (L): H 7.459 7.459 8.037 -0.578 RESID 195 (V): N 117.842 117.842 115.934 1.908 RESID 195 (V): C 177.150 177.150 177.851 -0.701 RESID 195 (V): CA 64.054 64.054 65.989 -1.935 RESID 195 (V): CB 31.079 31.079 30.927 0.152 RESID 195 (V): H 7.363 7.363 7.372 -0.009 RESID 196 (T): N 122.439 122.439 117.318 5.121 RESID 196 (T): C 175.055 175.055 176.513 -1.458 RESID 196 (T): CA 65.500 65.500 66.788 -1.288 RESID 196 (T): CB 69.490 69.490 68.750 0.740 RESID 196 (T): H 7.940 7.940 7.803 0.137 RESID 197 (Y): N 122.430 122.430 122.210 0.220 RESID 197 (Y): C 177.152 177.152 176.980 0.172 RESID 197 (Y): CA 61.892 61.892 61.694 0.198 RESID 197 (Y): CB 38.085 38.085 38.596 -0.511 RESID 197 (Y): H 9.123 9.123 8.889 0.234 RESID 198 (D): N 117.750 117.750 119.398 -1.648 RESID 198 (D): C 177.696 177.696 178.416 -0.720 RESID 198 (D): CA 57.822 57.822 57.280 0.542 RESID 198 (D): CB 40.500 40.500 40.460 0.040 RESID 198 (D): H 8.263 8.263 7.868 0.395 RESID 199 (L): N 120.698 120.698 118.617 2.081 RESID 199 (L): C 180.104 180.104 179.108 0.996 RESID 199 (L): CA 58.092 58.092 57.782 0.310 RESID 199 (L): CB 42.559 42.559 41.463 1.096 RESID 199 (L): H 7.636 7.636 7.534 0.102 RESID 200 (I): N 121.136 121.136 118.531 2.605 RESID 200 (I): C 176.919 176.919 177.458 -0.539 RESID 200 (I): CA 65.482 65.482 63.292 2.190 RESID 200 (I): CB 37.949 37.949 36.660 1.289 RESID 200 (I): H 7.718 7.718 7.305 0.413 RESID 201 (K): N 120.587 120.587 118.672 1.915 RESID 201 (K): C 177.696 177.696 178.484 -0.788 RESID 201 (K): CA 60.683 60.683 59.065 1.618 RESID 201 (K): CB 31.809 31.809 32.526 -0.717 RESID 201 (K): H 8.291 8.291 7.540 0.751 RESID 202 (D): N 117.936 117.936 116.928 1.008 RESID 202 (D): C 178.395 178.395 176.570 1.825 RESID 202 (D): CA 57.672 57.672 56.371 1.301 RESID 202 (D): CB 41.355 41.355 41.203 0.152 RESID 202 (D): H 8.182 8.182 7.704 0.478 RESID 203 (T): N 115.914 115.914 114.434 1.480 RESID 203 (T): CA 61.190 61.190 62.441 -1.251 RESID 203 (T): CB 68.738 68.738 69.401 -0.663 RESID 203 (T): H 7.690 7.690 7.590 0.100 RESID 204 (L): C 176.047 176.047 175.635 0.412 RESID 204 (L): H 8.051 8.051 8.797 -0.746 RESID 205 (L): N 118.768 118.768 117.869 0.899 RESID 205 (L): C 179.871 179.871 176.220 3.651 RESID 205 (L): CA 55.867 55.867 53.978 1.889 RESID 205 (L): CB 41.887 41.887 41.714 0.173 RESID 205 (L): H 7.977 7.977 7.672 0.305 RESID 206 (K): N 119.775 119.775 120.454 -0.679 RESID 206 (K): C 177.318 177.318 177.221 0.097 RESID 206 (K): CA 58.461 58.461 57.918 0.543 RESID 206 (K): CB 32.734 32.734 32.599 0.135 RESID 206 (K): H 7.677 7.677 8.186 -0.509 RESID 207 (A): N 120.757 120.757 120.640 0.117 RESID 207 (A): C 176.531 176.531 176.149 0.382 RESID 207 (A): CA 53.083 53.083 52.745 0.338 RESID 207 (A): CB 18.960 18.960 19.235 -0.276 RESID 207 (A): H 7.565 7.565 8.001 -0.436 RESID 208 (N): N 115.463 115.463 113.971 1.492 RESID 208 (N): C 174.822 174.822 175.418 -0.596 RESID 208 (N): CA 54.351 54.351 52.633 1.718 RESID 208 (N): CB 38.160 38.160 36.359 1.801 RESID 208 (N): H 7.936 7.936 7.682 0.254 RESID 212 (D): C 174.735 174.735 175.866 -1.131 RESID 213 (D): N 116.363 116.363 123.460 -7.097 RESID 213 (D): C 175.553 175.553 175.842 -0.289 RESID 213 (D): CA 54.890 54.890 54.298 0.592 RESID 213 (D): CB 38.846 38.846 41.437 -2.591 RESID 213 (D): H 8.129 8.129 8.407 -0.278 RESID 214 (L): N 119.486 119.486 122.315 -2.829 RESID 214 (L): CA 59.766 59.766 58.935 0.831 RESID 214 (L): CB 39.579 39.579 39.633 -0.054 RESID 214 (L): H 7.821 7.821 8.633 -0.812 RESID 215 (P): C 177.971 177.971 178.926 -0.955 RESID 215 (P): CA 65.938 65.938 65.981 -0.043 RESID 215 (P): CB 30.006 30.006 31.104 -1.098 RESID 216 (C): N 114.211 114.211 114.897 -0.686 RESID 216 (C): C 176.142 176.142 176.573 -0.431 RESID 216 (C): CA 58.773 58.773 63.589 -4.816 RESID 216 (C): CB 40.906 40.906 27.653 13.253 RESID 216 (C): H 8.269 8.269 8.110 0.159 RESID 217 (H): N 120.491 120.491 120.279 0.212 RESID 217 (H): C 176.747 176.747 176.943 -0.196 RESID 217 (H): CA 57.198 57.198 58.986 -1.788 RESID 217 (H): CB 29.886 29.886 30.020 -0.134 RESID 217 (H): H 7.301 7.301 7.709 -0.408 RESID 218 (F): N 120.501 120.501 118.901 1.600 RESID 218 (F): C 176.187 176.187 177.748 -1.561 RESID 218 (F): CA 59.045 59.045 62.257 -3.212 RESID 218 (F): CB 38.901 38.901 38.847 0.054 RESID 218 (F): H 8.127 8.127 8.152 -0.025 RESID 219 (T): N 112.682 112.682 115.088 -2.406 RESID 219 (T): C 175.997 175.997 176.878 -0.881 RESID 219 (T): CA 64.319 64.319 66.757 -2.438 RESID 219 (T): CB 63.282 63.282 68.244 -4.962 RESID 219 (T): H 7.977 7.977 7.738 0.239 RESID 220 (S): N 117.589 117.589 117.320 0.269 RESID 220 (S): C 175.055 175.055 176.318 -1.263 RESID 220 (S): CA 61.344 61.344 61.437 -0.093 RESID 220 (S): CB 63.440 63.440 63.021 0.419 RESID 220 (S): H 8.004 8.004 7.720 0.284 RESID 221 (A): N 123.860 123.860 124.551 -0.691 RESID 221 (A): C 177.618 177.618 179.275 -1.657 RESID 221 (A): CA 53.932 53.932 55.060 -1.128 RESID 221 (A): CB 18.891 18.891 18.083 0.808 RESID 221 (A): H 7.704 7.704 8.020 -0.316 RESID 222 (F): N 116.073 116.073 119.982 -3.909 RESID 222 (F): C 176.142 176.142 177.621 -1.479 RESID 222 (F): CA 58.271 58.271 61.761 -3.490 RESID 222 (F): CB 39.554 39.554 39.112 0.442 RESID 222 (F): H 7.718 7.718 8.467 -0.749 RESID 223 (G): N 108.578 108.578 106.234 2.344 RESID 223 (G): C 173.889 173.889 175.574 -1.685 RESID 223 (G): CA 45.993 45.993 47.065 -1.072 RESID 223 (G): H 7.909 7.909 8.093 -0.184 RESID 224 (A): N 123.322 123.322 124.936 -1.614 RESID 224 (A): C 178.550 178.550 179.634 -1.084 RESID 224 (A): CA 53.608 53.608 54.520 -0.912 RESID 224 (A): CB 19.069 19.069 18.382 0.687 RESID 224 (A): H 8.018 8.018 7.942 0.076 RESID 225 (G): N 107.935 107.935 107.620 0.315 RESID 225 (G): C 175.389 175.389 175.538 -0.149 RESID 225 (G): CA 46.967 46.967 46.805 0.162 RESID 225 (G): H 8.304 8.304 8.601 -0.297 RESID 226 (F): N 122.440 122.440 122.782 -0.342 RESID 226 (F): C 176.998 176.998 177.014 -0.016 RESID 226 (F): CA 60.673 60.673 60.412 0.261 RESID 226 (F): CB 38.319 38.319 39.614 -1.295 RESID 226 (F): H 8.045 8.045 7.882 0.163 RESID 227 (C): N 116.562 116.562 118.865 -2.303 RESID 227 (C): CA 61.301 61.301 61.481 -0.180 RESID 227 (C): CB 41.286 41.286 26.997 14.289 RESID 227 (C): H 8.016 8.016 7.752 0.264 RESID 228 (T): C 176.437 176.437 176.393 0.044 RESID 228 (T): H 8.410 8.410 8.605 -0.195 RESID 229 (T): N 115.234 115.234 116.251 -1.017 RESID 229 (T): C 176.749 176.749 176.461 0.288 RESID 229 (T): CA 65.980 65.980 65.957 0.023 RESID 229 (T): CB 67.443 67.443 67.692 -0.248 RESID 229 (T): H 8.188 8.188 8.053 0.135 RESID 230 (V): N 120.723 120.723 121.043 -0.320 RESID 230 (V): C 177.983 177.983 176.975 1.008 RESID 230 (V): CA 66.832 66.832 65.717 1.115 RESID 230 (V): CB 31.168 31.168 31.343 -0.175 RESID 230 (V): H 8.027 8.027 7.176 0.851 RESID 231 (I): N 120.541 120.541 118.517 2.024 RESID 231 (I): C 177.368 177.368 177.151 0.217 RESID 231 (I): CA 65.575 65.575 63.111 2.464 RESID 231 (I): CB 37.722 37.722 38.289 -0.567 RESID 231 (I): H 8.458 8.458 7.222 1.236 RESID 232 (A): N 122.766 122.766 122.132 0.634 RESID 232 (A): C 178.847 178.847 179.403 -0.556 RESID 232 (A): CA 55.252 55.252 55.036 0.216 RESID 232 (A): CB 17.874 17.874 18.123 -0.249 RESID 232 (A): H 8.589 8.589 7.919 0.670 RESID 233 (S): N 113.387 113.387 114.219 -0.832 RESID 233 (S): CA 62.348 62.348 62.849 -0.501 RESID 233 (S): CB 61.630 61.630 61.876 -0.246 RESID 233 (S): H 8.218 8.218 8.464 -0.246 RESID 234 (P): C 178.221 178.221 178.714 -0.493 RESID 235 (V): N 116.087 116.087 118.318 -2.231 RESID 235 (V): C 177.089 177.089 177.103 -0.014 RESID 235 (V): CA 65.072 65.072 65.662 -0.590 RESID 235 (V): CB 31.084 31.084 31.822 -0.738 RESID 235 (V): H 8.142 8.142 7.522 0.620 RESID 236 (D): N 121.556 121.556 119.675 1.881 RESID 236 (D): C 177.422 177.422 178.233 -0.811 RESID 236 (D): CA 57.135 57.135 57.409 -0.274 RESID 236 (D): CB 40.065 40.065 40.922 -0.857 RESID 236 (D): H 7.932 7.932 7.583 0.349 RESID 237 (V): N 117.233 117.233 118.069 -0.836 RESID 237 (V): CA 64.977 64.977 65.947 -0.970 RESID 237 (V): CB 31.013 31.013 31.138 -0.125 RESID 237 (V): H 7.710 7.710 7.796 -0.086 RESID 238 (V): C 177.584 177.584 177.018 0.566 RESID 238 (V): H 7.607 7.607 7.417 0.190 RESID 239 (K): N 120.095 120.095 118.294 1.801 RESID 239 (K): C 178.678 178.678 178.662 0.016 RESID 239 (K): CA 58.483 58.483 58.919 -0.436 RESID 239 (K): CB 31.863 31.863 32.182 -0.319 RESID 239 (K): H 7.761 7.761 7.318 0.443 RESID 240 (T): N 115.247 115.247 114.119 1.128 RESID 240 (T): C 175.093 175.093 175.196 -0.103 RESID 240 (T): CA 66.458 66.458 64.001 2.457 RESID 240 (T): CB 68.011 68.011 69.217 -1.206 RESID 240 (T): H 7.761 7.761 7.478 0.283 RESID 241 (R): N 119.633 119.633 120.955 -1.322 RESID 241 (R): CA 57.133 57.133 58.032 -0.900 RESID 241 (R): CB 31.218 31.218 30.606 0.612 RESID 241 (R): H 7.383 7.383 7.694 -0.311 RESID 242 (Y): C 174.956 174.956 174.354 0.602 RESID 242 (Y): H 8.699 8.699 8.207 0.492 RESID 243 (M): N 118.458 118.458 121.013 -2.555 RESID 243 (M): C 175.676 175.676 174.934 0.742 RESID 243 (M): CA 54.417 54.417 56.097 -1.680 RESID 243 (M): H 7.442 7.442 8.403 -0.961 RESID 244 (N): N 116.369 116.369 118.359 -1.990 RESID 244 (N): C 174.919 174.919 174.445 0.474 RESID 244 (N): CA 59.470 59.470 52.548 6.922 RESID 244 (N): CB 39.079 39.079 39.459 -0.380 RESID 244 (N): H 7.772 7.772 8.248 -0.476 RESID 245 (S): N 114.568 114.568 119.649 -5.081 RESID 245 (S): C 175.695 175.695 174.048 1.647 RESID 245 (S): CA 53.852 53.852 60.355 -6.503 RESID 245 (S): CB 61.232 61.232 62.527 -1.295 RESID 245 (S): H 8.475 8.475 8.871 -0.396 RESID 246 (A): N 127.283 127.283 119.375 7.908 RESID 246 (A): C 177.128 177.128 176.777 0.351 RESID 246 (A): CA 56.803 56.803 52.298 4.505 RESID 246 (A): CB 18.901 18.901 18.236 0.665 RESID 246 (A): H 7.929 7.929 8.237 -0.308 RESID 247 (L): N 118.112 118.112 120.861 -2.749 RESID 247 (L): C 176.723 176.723 178.320 -1.597 RESID 247 (L): CA 54.156 54.156 55.701 -1.545 RESID 247 (L): CB 41.215 41.215 41.490 -0.275 RESID 247 (L): H 7.922 7.922 8.302 -0.380 RESID 248 (G): N 107.203 107.203 104.469 2.734 RESID 248 (G): CA 44.558 44.558 45.570 -1.012 RESID 248 (G): H 8.318 8.318 8.103 0.215 RESID 250 (Y): C 175.942 175.942 175.518 0.424 RESID 250 (Y): H 8.134 8.134 8.063 0.071 RESID 251 (H): N 123.281 123.281 118.477 4.804 RESID 251 (H): C 174.531 174.531 175.374 -0.843 RESID 251 (H): CA 58.931 58.931 57.957 0.974 RESID 251 (H): CB 29.525 29.525 30.038 -0.513 RESID 251 (H): H 8.184 8.184 8.118 0.066 RESID 252 (S): N 110.038 110.038 111.354 -1.316 RESID 252 (S): C 174.429 174.429 173.725 0.704 RESID 252 (S): CA 57.452 57.452 56.565 0.887 RESID 252 (S): CB 65.022 65.022 65.031 -0.009 RESID 252 (S): H 8.010 8.010 7.512 0.498 RESID 253 (A): N 123.034 123.034 124.732 -1.698 RESID 253 (A): C 179.249 179.249 179.343 -0.094 RESID 253 (A): CA 54.981 54.981 54.977 0.004 RESID 253 (A): CB 19.069 19.069 18.894 0.175 RESID 253 (A): H 8.034 8.034 8.709 -0.674 RESID 254 (G): N 106.379 106.379 106.622 -0.243 RESID 254 (G): C 174.433 174.433 175.550 -1.117 RESID 254 (G): CA 47.615 47.615 46.743 0.872 RESID 254 (G): H 8.427 8.427 8.456 -0.029 RESID 255 (H): N 121.119 121.119 122.429 -1.310 RESID 255 (H): C 178.084 178.084 177.112 0.972 RESID 255 (H): CA 60.144 60.144 58.995 1.149 RESID 255 (H): CB 33.073 33.073 29.832 3.241 RESID 255 (H): H 8.304 8.304 8.462 -0.158 RESID 256 (C): N 117.946 117.946 117.943 0.003 RESID 256 (C): C 175.453 175.453 176.752 -1.299 RESID 256 (C): CA 58.668 58.668 61.908 -3.240 RESID 256 (C): CB 41.434 41.434 27.346 14.088 RESID 256 (C): H 8.168 8.168 7.663 0.505 RESID 257 (A): N 123.138 123.138 123.568 -0.430 RESID 257 (A): C 179.489 179.489 179.252 0.237 RESID 257 (A): CA 54.589 54.589 54.933 -0.344 RESID 257 (A): CB 17.675 17.675 18.114 -0.439 RESID 257 (A): H 7.932 7.932 7.310 0.622 RESID 258 (L): N 119.779 119.779 118.829 0.950 RESID 258 (L): C 178.234 178.234 178.942 -0.708 RESID 258 (L): CA 56.967 56.967 57.628 -0.661 RESID 258 (L): CB 41.067 41.067 40.973 0.094 RESID 258 (L): H 7.681 7.681 7.673 0.008 RESID 259 (T): N 114.552 114.552 113.344 1.208 RESID 259 (T): C 176.244 176.244 176.618 -0.374 RESID 259 (T): CA 66.511 66.511 65.759 0.752 RESID 259 (T): CB 67.274 67.274 68.344 -1.070 RESID 259 (T): H 7.855 7.855 7.846 0.009 RESID 260 (M): N 118.862 118.862 121.325 -2.463 RESID 260 (M): C 177.094 177.094 178.174 -1.080 RESID 260 (M): CA 58.532 58.532 58.897 -0.365 RESID 260 (M): CB 32.288 32.288 32.549 -0.261 RESID 260 (M): H 8.296 8.296 8.353 -0.057 RESID 261 (L): N 116.839 116.839 120.454 -3.615 RESID 261 (L): C 178.162 178.162 178.137 0.025 RESID 261 (L): CA 58.167 58.167 58.019 0.148 RESID 261 (L): CB 42.202 42.202 41.819 0.383 RESID 261 (L): H 8.053 8.053 8.150 -0.097 RESID 262 (R): N 116.821 116.821 117.683 -0.862 RESID 262 (R): CA 58.761 58.761 59.030 -0.269 RESID 262 (R): CB 30.825 30.825 30.453 0.371 RESID 262 (R): H 7.827 7.827 7.639 0.188 RESID 266 (P): C 177.152 177.152 177.643 -0.491 RESID 266 (P): CA 65.152 65.152 63.990 1.162 RESID 267 (R): N 117.739 117.739 119.151 -1.412 RESID 267 (R): C 177.463 177.463 177.714 -0.251 RESID 267 (R): CA 59.335 59.335 58.201 1.134 RESID 267 (R): CB 30.185 30.185 28.369 1.816 RESID 267 (R): H 8.072 8.072 8.369 -0.297 RESID 268 (A): N 121.709 121.709 121.925 -0.216 RESID 268 (A): C 179.251 179.251 178.280 0.971 RESID 268 (A): CA 54.631 54.631 54.759 -0.128 RESID 268 (A): CB 18.683 18.683 18.023 0.660 RESID 268 (A): H 7.963 7.963 7.671 0.292 RESID 269 (F): N 117.096 117.096 115.961 1.135 RESID 269 (F): C 175.987 175.987 177.887 -1.900 RESID 269 (F): CA 61.037 61.037 61.111 -0.074 RESID 269 (F): CB 38.637 38.637 38.924 -0.287 RESID 269 (F): H 7.832 7.832 7.895 -0.063 RESID 270 (Y): N 118.496 118.496 119.182 -0.686 RESID 270 (Y): C 176.250 176.250 176.050 0.200 RESID 270 (Y): CA 60.116 60.116 60.176 -0.060 RESID 270 (Y): CB 38.882 38.882 38.958 -0.076 RESID 270 (Y): H 7.813 7.813 7.596 0.217 RESID 271 (K): N 119.458 119.458 119.020 0.438 RESID 271 (K): C 177.696 177.696 175.264 2.432 RESID 271 (K): CA 57.192 57.192 55.910 1.282 RESID 271 (K): CB 32.734 32.734 33.563 -0.829 RESID 271 (K): H 7.864 7.864 7.943 -0.079 RESID 272 (G): N 106.217 106.217 107.928 -1.711 RESID 272 (G): C 173.967 173.967 173.006 0.961 RESID 272 (G): CA 46.117 46.117 45.431 0.686 RESID 272 (G): H 7.622 7.622 8.110 -0.488 RESID 273 (F): N 118.847 118.847 116.515 2.332 RESID 273 (F): C 175.055 175.055 174.788 0.267 RESID 273 (F): CA 57.721 57.721 57.108 0.613 RESID 273 (F): CB 40.183 40.183 38.514 1.669 RESID 273 (F): H 7.677 7.677 7.400 0.277 RESID 277 (F): C 176.602 176.602 177.152 -0.550 RESID 277 (F): CA 61.838 61.838 61.773 0.065 RESID 277 (F): CB 39.537 39.537 39.281 0.256 RESID 277 (F): H 7.695 7.695 8.108 -0.413 RESID 278 (L): N 118.465 118.465 119.458 -0.993 RESID 278 (L): C 177.152 177.152 178.777 -1.625 RESID 278 (L): CA 56.115 56.115 58.041 -1.926 RESID 278 (L): CB 42.398 42.398 41.586 0.812 RESID 278 (L): H 8.104 8.104 8.365 -0.261 RESID 279 (R): N 118.749 118.749 119.976 -1.227 RESID 279 (R): C 176.608 176.608 178.702 -2.094 RESID 279 (R): CA 56.938 56.938 59.550 -2.612 RESID 279 (R): CB 30.659 30.659 30.252 0.407 RESID 279 (R): H 7.472 7.472 8.038 -0.566 RESID 280 (L): N 120.305 120.305 119.315 0.990 RESID 280 (L): C 177.540 177.540 178.708 -1.168 RESID 280 (L): CA 57.094 57.094 57.963 -0.869 RESID 280 (L): CB 42.027 42.027 41.067 0.960 RESID 280 (L): H 7.690 7.690 8.107 -0.417 RESID 281 (G): N 106.837 106.837 107.031 -0.194 RESID 281 (G): C 174.045 174.045 176.088 -2.043 RESID 281 (G): CA 46.967 46.967 47.094 -0.127 RESID 281 (G): H 7.881 7.881 7.694 0.187 RESID 282 (S): N 115.531 115.531 118.399 -2.868 RESID 282 (S): C 174.123 174.123 176.273 -2.150 RESID 282 (S): CA 58.796 58.796 61.066 -2.270 RESID 282 (S): CB 58.975 58.975 62.856 -3.881 RESID 282 (S): H 7.813 7.813 7.578 0.235 RESID 283 (W): N 122.851 122.851 123.379 -0.528 RESID 283 (W): C 176.142 176.142 177.781 -1.639 RESID 283 (W): CA 59.221 59.221 61.379 -2.158 RESID 283 (W): CB 30.446 30.446 29.467 0.979 RESID 283 (W): H 8.186 8.186 8.528 -0.342 RESID 284 (N): N 118.459 118.459 117.175 1.284 RESID 284 (N): CA 55.325 55.325 55.558 -0.233 RESID 284 (N): CB 39.504 39.504 38.781 0.723 RESID 284 (N): H 8.127 8.127 7.836 0.291 RESID 285 (V): C 177.263 177.263 177.391 -0.128 RESID 285 (V): H 7.854 7.854 7.521 0.334 RESID 286 (V): N 119.883 119.883 117.459 2.424 RESID 286 (V): C 177.072 177.072 177.181 -0.109 RESID 286 (V): CA 64.717 64.717 65.815 -1.098 RESID 286 (V): CB 29.553 29.553 31.082 -1.529 RESID 286 (V): H 7.483 7.483 7.290 0.193 RESID 287 (M): N 120.401 120.401 118.560 1.841 RESID 287 (M): C 177.594 177.594 177.960 -0.366 RESID 287 (M): CA 57.654 57.654 58.512 -0.858 RESID 287 (M): CB 31.592 31.592 31.756 -0.164 RESID 287 (M): H 8.118 8.118 7.092 1.026 RESID 288 (F): N 122.234 122.234 121.013 1.221 RESID 288 (F): C 176.498 176.498 177.198 -0.700 RESID 288 (F): CA 61.766 61.766 62.157 -0.391 RESID 288 (F): CB 39.031 39.031 39.090 -0.059 RESID 288 (F): H 7.878 7.878 7.650 0.228 RESID 289 (V): N 118.907 118.907 117.925 0.982 RESID 289 (V): CA 64.566 64.566 66.911 -2.345 RESID 289 (V): CB 30.544 30.544 31.186 -0.642 RESID 289 (V): H 7.913 7.913 7.754 0.159 RESID 290 (T): C 175.376 175.376 176.186 -0.810 RESID 290 (T): H 8.095 8.095 7.369 0.726 RESID 291 (Y): N 118.029 118.029 120.697 -2.668 RESID 291 (Y): C 176.919 176.919 177.711 -0.792 RESID 291 (Y): CA 61.717 61.717 61.928 -0.211 RESID 291 (Y): CB 38.020 38.020 37.802 0.218 RESID 291 (Y): H 7.986 7.986 7.577 0.409 RESID 292 (E): N 118.005 118.005 118.987 -0.982 RESID 292 (E): C 176.686 176.686 179.104 -2.418 RESID 292 (E): CA 60.084 60.084 59.783 0.301 RESID 292 (E): CB 29.443 29.443 29.078 0.365 RESID 292 (E): H 8.359 8.359 8.154 0.205 RESID 293 (Q): N 118.746 118.746 118.320 0.426 RESID 293 (Q): C 176.210 176.210 178.449 -2.239 RESID 293 (Q): CA 58.986 58.986 58.578 0.408 RESID 293 (Q): CB 28.784 28.784 28.771 0.013 RESID 293 (Q): H 7.704 7.704 7.448 0.256 RESID 294 (L): N 120.970 120.970 118.921 2.049 RESID 294 (L): C 178.084 178.084 178.552 -0.468 RESID 294 (L): CA 58.741 58.741 57.608 1.133 RESID 294 (L): CB 41.451 41.451 41.795 -0.344 RESID 294 (L): H 7.995 7.995 7.525 0.470 RESID 295 (K): N 117.756 117.756 116.749 1.007 RESID 295 (K): CA 59.048 59.048 57.857 1.191 RESID 295 (K): CB 31.871 31.871 32.999 -1.128 RESID 295 (K): H 7.731 7.731 7.938 -0.207 RESID 296 (R): H 7.895 7.895 7.938 -0.043 RESID 297 (A): C 176.488 176.488 176.593 -0.105 RESID 297 (A): H 8.223 8.223 8.306 -0.083 RESID 298 (L): N 117.376 117.376 120.544 -3.168 RESID 298 (L): C 178.628 178.628 176.923 1.705 RESID 298 (L): CA 58.217 58.217 55.267 2.950 RESID 298 (L): CB 41.905 41.905 41.818 0.087 RESID 298 (L): H 7.947 7.947 8.411 -0.464 RESID 299 (M): N 127.376 127.376 127.751 -0.375 RESID 299 (M): C 178.472 178.472 174.871 3.601 RESID 299 (M): CA 58.461 58.461 54.971 3.490 RESID 299 (M): CB 32.110 32.110 31.752 0.358 RESID 299 (M): H 8.182 8.182 8.828 -0.646 RESID 300 (A): N 121.854 121.854 124.052 -2.198 RESID 300 (A): C 180.197 180.197 176.117 4.080 RESID 300 (A): CA 55.617 55.617 52.406 3.211 RESID 300 (A): CB 18.215 18.215 19.883 -1.668 RESID 300 (A): H 7.841 7.841 7.696 0.145 RESID 301 (A): N 121.224 121.224 128.726 -7.502 RESID 301 (A): C 178.939 178.939 178.496 0.443 RESID 301 (A): CA 55.186 55.186 54.242 0.944 RESID 301 (A): CB 18.735 18.735 19.140 -0.405 RESID 301 (A): H 7.872 7.872 8.729 -0.857 RESID 302 (Y): N 118.183 118.183 119.679 -1.496 RESID 302 (Y): C 176.841 176.841 177.429 -0.588 RESID 302 (Y): CA 60.868 60.868 61.705 -0.837 RESID 302 (Y): CB 39.344 39.344 38.012 1.332 RESID 302 (Y): H 8.100 8.100 8.558 -0.458 RESID 303 (Q): N 117.243 117.243 117.931 -0.688 RESID 303 (Q): C 176.997 176.997 178.653 -1.656 RESID 303 (Q): CA 58.787 58.787 58.775 0.012 RESID 303 (Q): CB 29.216 29.216 28.059 1.157 RESID 303 (Q): H 8.059 8.059 8.641 -0.582 RESID 304 (S): N 114.721 114.721 115.260 -0.539 RESID 304 (S): C 174.511 174.511 176.195 -1.684 RESID 304 (S): CA 59.720 59.720 61.218 -1.498 RESID 304 (S): CB 63.896 63.896 62.969 0.927 RESID 304 (S): H 7.718 7.718 7.896 -0.178 RESID 305 (R): N 121.401 121.401 120.818 0.583 RESID 305 (R): C 175.521 175.521 177.916 -2.395 RESID 305 (R): CA 59.639 59.639 58.161 1.478 RESID 305 (R): CB 30.568 30.568 30.262 0.306 RESID 305 (R): H 7.609 7.609 8.211 -0.602 RESID 306 (E): N 120.090 120.090 117.303 2.787 RESID 306 (E): C 177.648 177.648 178.960 -1.312 RESID 306 (E): CA 59.624 59.624 58.625 0.999 RESID 306 (E): CB 30.362 30.362 29.267 1.095 RESID 306 (E): H 7.909 7.909 7.696 0.213 RESID 307 (A): N 121.234 121.234 125.131 -3.897 RESID 307 (A): C 176.014 176.014 177.375 -1.361 RESID 307 (A): CA 56.844 56.844 55.399 1.445 RESID 307 (A): CB 17.735 17.735 16.844 0.891 RESID 307 (A): H 7.760 7.760 7.828 -0.068 N HA C CA CB H RESID 16 (K): 1.187 ----- -2.335 -0.033 0.787 -0.714 RESID 17 (F): -1.320 ----- -1.968 -0.780 0.761 -0.178 RESID 18 (L): -0.721 ----- -1.265 -1.173 1.452 -0.212 RESID 19 (G): 0.700 ----- -0.575 -1.597 ----- -0.386 RESID 20 (A): 0.175 ----- 0.146 0.167 0.756 0.152 RESID 21 (G): 1.142 ----- -0.377 -0.394 ----- 0.461 RESID 22 (T): 4.746 ----- -0.574 1.646 0.010 -0.342 RESID 23 (A): -1.187 ----- -0.291 0.525 0.029 0.788 RESID 24 (A): -0.563 ----- 0.092 0.030 0.263 -0.457 RESID 25 (C): 0.394 ----- -0.528 -2.793 13.854 0.280 RESID 26 (I): -2.635 ----- 0.172 1.640 -0.049 0.328 RESID 27 (A): -0.102 ----- 0.244 0.279 -0.176 0.126 RESID 28 (D): -0.164 ----- -0.554 0.296 0.632 -0.054 RESID 29 (L): -1.711 ----- -0.090 -1.274 0.964 0.332 RESID 30 (I): -1.622 ----- 0.107 -2.272 0.446 0.537 RESID 31 (T): -0.850 ----- -1.050 -1.018 -0.110 0.485 RESID 32 (F): -0.236 ----- ----- -5.758 1.583 -1.010 RESID 33 (P): ----- ----- 0.184 -2.061 3.779 ----- RESID 34 (L): 6.184 ----- -2.438 -1.844 1.821 1.545 RESID 35 (D): 2.641 ----- -0.819 -2.960 0.345 0.632 RESID 36 (T): 0.768 ----- 1.026 -1.769 0.648 0.476 RESID 37 (A): 2.344 ----- 0.087 -0.126 0.493 0.424 RESID 38 (K): -1.342 ----- -0.102 -0.116 0.864 0.342 RESID 39 (V): -0.008 ----- -0.249 1.038 2.774 0.060 RESID 40 (R): 2.152 ----- -0.304 1.616 -0.042 0.245 RESID 41 (L): -2.982 ----- ----- 0.004 0.873 0.048 RESID 49 (G): ----- ----- -0.198 ----- ----- ----- RESID 50 (L): 0.901 ----- 0.672 -0.765 0.004 0.250 RESID 51 (V): 2.412 ----- 1.508 0.690 -0.483 0.037 RESID 52 (R): 4.252 ----- ----- 1.155 0.028 0.144 RESID 53 (T): ----- ----- -0.156 ----- ----- 0.397 RESID 54 (A): -1.243 ----- -1.436 -1.682 -1.016 0.160 RESID 55 (A): -4.229 ----- 0.909 1.158 -0.760 -0.852 RESID 56 (S): 11.110 ----- 0.976 2.621 0.090 -0.067 RESID 57 (A): -3.210 ----- ----- 0.968 -0.185 -0.154 RESID 59 (Y): ----- ----- 1.546 ----- ----- ----- RESID 60 (R): 2.717 ----- 1.490 1.481 0.545 -0.284 RESID 61 (G): -0.309 ----- 0.514 1.684 ----- 0.018 RESID 62 (V): -2.984 ----- 0.293 1.636 0.259 -0.386 RESID 63 (L): 0.951 ----- -0.774 0.617 1.368 -0.236 RESID 64 (G): -0.368 ----- 0.169 0.561 ----- 0.251 RESID 65 (T): 1.517 ----- -0.182 0.478 0.699 0.406 RESID 66 (I): 1.653 ----- -0.447 0.868 0.415 0.585 RESID 67 (L): 1.801 ----- 0.004 0.694 -0.074 0.723 RESID 68 (T): -0.282 ----- 0.220 0.692 0.565 0.612 RESID 69 (M): 4.506 ----- -1.141 0.685 0.954 0.412 RESID 70 (V): 5.123 ----- -0.527 1.777 -0.066 0.414 RESID 71 (R): -1.109 ----- -0.871 0.372 0.495 0.158 RESID 72 (T): -3.219 ----- -0.393 -1.698 1.319 0.070 RESID 73 (E): 1.846 ----- 1.047 0.640 -0.870 0.349 RESID 74 (G): 1.158 ----- ----- 0.717 ----- 0.385 RESID 75 (P): ----- ----- -1.223 1.059 0.175 ----- RESID 76 (R): 1.496 ----- 0.021 1.525 0.281 -0.132 RESID 77 (S): 1.314 ----- 1.075 0.619 -0.235 -0.072 RESID 78 (L): 0.441 ----- -0.342 0.874 -0.201 -0.240 RESID 79 (Y): 4.575 ----- 1.419 1.996 -0.099 0.259 RESID 80 (N): 0.507 ----- 2.941 0.924 -1.745 0.971 RESID 81 (G): -1.181 ----- 0.014 0.406 ----- -0.586 RESID 82 (L): 4.621 ----- 0.393 0.468 1.032 0.191 RESID 83 (V): -0.294 ----- 0.945 -0.158 0.904 0.029 RESID 84 (A): -0.154 ----- 0.963 0.601 -0.298 0.467 RESID 85 (G): -0.729 ----- -0.481 0.616 ----- 0.279 RESID 86 (L): 0.606 ----- -0.772 -0.013 0.588 0.708 RESID 87 (Q): 0.471 ----- -0.959 -1.193 0.768 0.214 RESID 88 (R): -0.566 ----- -0.998 -0.805 1.306 0.129 RESID 89 (Q): -0.616 ----- -1.213 -1.375 0.477 0.307 RESID 90 (M): -1.733 ----- -1.857 -2.494 0.648 -0.416 RESID 91 (S): 0.140 ----- -0.688 -2.983 1.478 -0.005 RESID 92 (F): -0.078 ----- 1.002 -2.506 -0.133 0.738 RESID 93 (A): 3.262 ----- -0.376 0.706 -0.276 0.481 RESID 94 (S): -1.754 ----- -0.349 -0.869 -0.007 0.335 RESID 95 (V): 3.369 ----- 0.021 -0.424 0.211 -0.352 RESID 96 (R): 2.311 ----- 0.100 0.892 1.632 0.776 RESID 97 (I): 0.348 ----- 1.148 1.672 0.460 0.284 RESID 98 (G): 1.889 ----- 1.106 0.786 ----- 0.392 RESID 99 (L): 0.397 ----- -0.412 0.853 0.442 -0.303 RESID 100 (Y): 0.370 ----- -0.648 -0.443 0.822 0.358 RESID 101 (D): 0.349 ----- 0.310 0.719 -0.062 -0.037 RESID 102 (S): 1.053 ----- -0.264 1.207 0.850 0.057 RESID 103 (V): 0.775 ----- 0.052 1.365 0.908 0.330 RESID 104 (K): 0.504 ----- 0.218 0.535 -0.387 0.432 RESID 105 (Q): 1.425 ----- -0.641 0.947 -0.352 0.138 RESID 106 (F): 1.177 ----- 0.534 0.114 -0.084 0.329 RESID 107 (Y): 4.309 ----- -0.678 3.959 -0.377 0.678 RESID 108 (T): 0.146 ----- 1.051 1.667 1.447 0.280 RESID 113 (H): ----- ----- -0.450 ----- ----- -0.177 RESID 114 (A): -4.631 ----- 1.434 0.734 0.240 0.380 RESID 115 (G): 3.072 ----- -0.166 0.770 ----- 0.109 RESID 116 (I): -0.654 ----- -0.972 -0.145 1.516 -0.023 RESID 117 (G): 3.700 ----- -1.882 -0.484 ----- 0.159 RESID 118 (S): -1.149 ----- -0.755 -1.149 0.901 -0.044 RESID 119 (R): 0.419 ----- -0.274 -1.714 0.398 -0.251 RESID 120 (L): 0.130 ----- -1.966 0.020 0.385 0.398 RESID 121 (L): -0.866 ----- -2.463 -2.191 0.844 -0.426 RESID 122 (A): 1.573 ----- -1.438 -2.141 1.043 -1.079 RESID 123 (G): 1.271 ----- 0.543 -0.847 ----- -0.576 RESID 124 (S): -1.143 ----- -1.107 -2.583 1.375 -0.349 RESID 125 (T): -2.636 ----- -0.678 0.306 1.003 -0.266 RESID 126 (T): -1.855 ----- 0.852 -0.729 0.065 -0.304 RESID 127 (G): 7.025 ----- -0.865 -0.790 ----- 0.146 RESID 128 (A): -0.438 ----- -1.668 -1.518 0.820 0.468 RESID 129 (L): 1.411 ----- -1.216 -1.480 1.237 0.293 RESID 130 (A): 1.651 ----- -1.637 -1.702 0.432 -0.260 RESID 131 (V): 3.636 ----- -1.505 -1.694 1.505 -0.303 RESID 132 (A): 1.128 ----- 0.455 -0.867 0.436 0.272 RESID 133 (V): -4.001 ----- -0.168 0.768 -0.808 -0.468 RESID 134 (A): 2.951 ----- ----- 4.301 ----- 0.170 RESID 136 (P): ----- ----- -1.823 ----- ----- ----- RESID 137 (T): 2.713 ----- -1.916 -1.914 1.401 -0.264 RESID 138 (D): 1.032 ----- -0.044 -1.260 0.480 0.347 RESID 139 (V): 0.361 ----- -0.372 0.206 1.189 0.217 RESID 140 (V): 0.434 ----- -1.107 0.056 0.229 0.221 RESID 141 (K): -0.018 ----- -3.034 -3.612 -0.298 0.010 RESID 142 (V): 0.774 ----- ----- -3.032 ----- 0.373 RESID 143 (R): ----- ----- -0.406 ----- ----- 0.478 RESID 144 (F): 0.050 ----- 1.565 0.462 ----- -0.166 RESID 145 (Q): 7.129 ----- -2.796 -2.010 1.769 0.303 RESID 146 (A): 0.010 ----- 0.318 0.462 -0.454 0.567 RESID 147 (Q): 0.530 ----- 0.976 -0.117 1.107 0.499 RESID 148 (A): -4.241 ----- -0.551 0.169 -0.261 -0.105 RESID 149 (R): 0.528 ----- ----- 0.717 0.961 -0.239 RESID 159 (T): ----- ----- -0.393 ----- ----- ----- RESID 160 (V): -2.699 ----- -0.213 -2.306 -0.122 0.178 RESID 161 (E): 2.648 ----- 0.919 0.353 0.611 -0.218 RESID 162 (A): 0.203 ----- 0.629 0.079 -0.345 -0.622 RESID 163 (Y): -0.899 ----- -0.324 -0.565 -0.804 -0.073 RESID 164 (K): 1.575 ----- -0.757 1.212 0.138 0.544 RESID 165 (T): -0.250 ----- -0.722 -0.807 0.930 0.169 RESID 166 (I): 2.931 ----- 0.178 1.591 3.303 0.094 RESID 167 (A): -1.450 ----- -1.885 -0.250 0.274 0.255 RESID 168 (R): -2.080 ----- -1.144 -0.152 1.226 0.128 RESID 169 (E): 0.506 ----- -0.608 -0.068 0.301 0.425 RESID 170 (E): 0.266 ----- 1.111 0.919 0.533 0.116 RESID 171 (G): 1.483 ----- -0.813 0.653 ----- 0.276 RESID 172 (I): -0.076 ----- -0.806 0.035 0.434 0.143 RESID 173 (R): -1.549 ----- -0.503 -0.476 0.082 -0.259 RESID 174 (G): -0.826 ----- -0.804 0.018 ----- -0.628 RESID 175 (L): -1.064 ----- -0.307 -0.117 0.693 0.317 RESID 176 (W): -0.775 ----- -0.794 -1.511 0.784 -0.357 RESID 177 (K): 0.549 ----- -0.729 -1.662 0.832 0.159 RESID 178 (G): 4.884 ----- -1.776 0.507 ----- -0.216 RESID 179 (T): -3.706 ----- -1.081 -0.976 1.733 -0.012 RESID 180 (S): 1.190 ----- ----- -0.241 0.276 0.251 RESID 182 (N): ----- ----- -0.262 ----- ----- ----- RESID 183 (V): -1.994 ----- -0.542 -1.279 0.812 0.308 RESID 184 (A): 0.518 ----- -0.886 0.034 10.175 0.459 RESID 185 (R): -1.953 ----- -0.782 0.324 -0.103 -0.501 RESID 186 (N): -0.441 ----- -0.858 0.195 1.085 0.268 RESID 187 (A): -2.471 ----- -0.761 0.514 -0.522 -0.389 RESID 188 (I): 0.455 ----- -1.429 -0.295 0.520 -0.357 RESID 189 (V): -0.846 ----- -0.132 -0.790 0.590 -0.279 RESID 190 (N): -0.443 ----- -0.609 0.841 0.737 -0.034 RESID 191 (C): 0.362 ----- -0.718 -2.677 14.574 0.038 RESID 192 (A): -0.239 ----- -1.172 -0.101 -0.217 -0.591 RESID 193 (E): -5.014 ----- -1.978 -1.168 -0.057 -0.856 RESID 194 (L): -2.630 ----- -1.590 -2.551 -0.321 -0.578 RESID 195 (V): 1.908 ----- -0.701 -1.935 0.152 -0.009 RESID 196 (T): 5.121 ----- -1.458 -1.288 0.740 0.137 RESID 197 (Y): 0.220 ----- 0.172 0.198 -0.511 0.234 RESID 198 (D): -1.648 ----- -0.720 0.542 0.040 0.395 RESID 199 (L): 2.081 ----- 0.996 0.310 1.096 0.102 RESID 200 (I): 2.605 ----- -0.539 2.190 1.289 0.413 RESID 201 (K): 1.915 ----- -0.788 1.618 -0.717 0.751 RESID 202 (D): 1.008 ----- 1.825 1.301 0.152 0.478 RESID 203 (T): 1.480 ----- ----- -1.251 -0.663 0.100 RESID 204 (L): ----- ----- 0.412 ----- ----- -0.746 RESID 205 (L): 0.899 ----- 3.651 1.889 0.173 0.305 RESID 206 (K): -0.679 ----- 0.097 0.543 0.135 -0.509 RESID 207 (A): 0.117 ----- 0.382 0.338 -0.276 -0.436 RESID 208 (N): 1.492 ----- -0.596 1.718 1.801 0.254 RESID 212 (D): ----- ----- -1.131 ----- ----- ----- RESID 213 (D): -7.097 ----- -0.289 0.592 -2.591 -0.278 RESID 214 (L): -2.829 ----- ----- 0.831 -0.054 -0.812 RESID 215 (P): ----- ----- -0.955 -0.043 -1.098 ----- RESID 216 (C): -0.686 ----- -0.431 -4.816 13.253 0.159 RESID 217 (H): 0.212 ----- -0.196 -1.788 -0.134 -0.408 RESID 218 (F): 1.600 ----- -1.561 -3.212 0.054 -0.025 RESID 219 (T): -2.406 ----- -0.881 -2.438 -4.962 0.239 RESID 220 (S): 0.269 ----- -1.263 -0.093 0.419 0.284 RESID 221 (A): -0.691 ----- -1.657 -1.128 0.808 -0.316 RESID 222 (F): -3.909 ----- -1.479 -3.490 0.442 -0.749 RESID 223 (G): 2.344 ----- -1.685 -1.072 ----- -0.184 RESID 224 (A): -1.614 ----- -1.084 -0.912 0.687 0.076 RESID 225 (G): 0.315 ----- -0.149 0.162 ----- -0.297 RESID 226 (F): -0.342 ----- -0.016 0.261 -1.295 0.163 RESID 227 (C): -2.303 ----- ----- -0.180 14.289 0.264 RESID 228 (T): ----- ----- 0.044 ----- ----- -0.195 RESID 229 (T): -1.017 ----- 0.288 0.023 -0.248 0.135 RESID 230 (V): -0.320 ----- 1.008 1.115 -0.175 0.851 RESID 231 (I): 2.024 ----- 0.217 2.464 -0.567 1.236 RESID 232 (A): 0.634 ----- -0.556 0.216 -0.249 0.670 RESID 233 (S): -0.832 ----- ----- -0.501 -0.246 -0.246 RESID 234 (P): ----- ----- -0.493 ----- ----- ----- RESID 235 (V): -2.231 ----- -0.014 -0.590 -0.738 0.620 RESID 236 (D): 1.881 ----- -0.811 -0.274 -0.857 0.349 RESID 237 (V): -0.836 ----- ----- -0.970 -0.125 -0.086 RESID 238 (V): ----- ----- 0.566 ----- ----- 0.190 RESID 239 (K): 1.801 ----- 0.016 -0.436 -0.319 0.443 RESID 240 (T): 1.128 ----- -0.103 2.457 -1.206 0.283 RESID 241 (R): -1.322 ----- ----- -0.900 0.612 -0.311 RESID 242 (Y): ----- ----- 0.602 ----- ----- 0.492 RESID 243 (M): -2.555 ----- 0.742 -1.680 ----- -0.961 RESID 244 (N): -1.990 ----- 0.474 6.922 -0.380 -0.476 RESID 245 (S): -5.081 ----- 1.647 -6.503 -1.295 -0.396 RESID 246 (A): 7.908 ----- 0.351 4.505 0.665 -0.308 RESID 247 (L): -2.749 ----- -1.597 -1.545 -0.275 -0.380 RESID 248 (G): 2.734 ----- ----- -1.012 ----- 0.215 RESID 250 (Y): ----- ----- 0.424 ----- ----- 0.071 RESID 251 (H): 4.804 ----- -0.843 0.974 -0.513 0.066 RESID 252 (S): -1.316 ----- 0.704 0.887 -0.009 0.498 RESID 253 (A): -1.698 ----- -0.094 0.004 0.175 -0.674 RESID 254 (G): -0.243 ----- -1.117 0.872 ----- -0.029 RESID 255 (H): -1.310 ----- 0.972 1.149 3.241 -0.158 RESID 256 (C): 0.003 ----- -1.299 -3.240 14.088 0.505 RESID 257 (A): -0.430 ----- 0.237 -0.344 -0.439 0.622 RESID 258 (L): 0.950 ----- -0.708 -0.661 0.094 0.008 RESID 259 (T): 1.208 ----- -0.374 0.752 -1.070 0.009 RESID 260 (M): -2.463 ----- -1.080 -0.365 -0.261 -0.057 RESID 261 (L): -3.615 ----- 0.025 0.148 0.383 -0.097 RESID 262 (R): -0.862 ----- ----- -0.269 0.371 0.188 RESID 266 (P): ----- ----- -0.491 1.162 ----- ----- RESID 267 (R): -1.412 ----- -0.251 1.134 1.816 -0.297 RESID 268 (A): -0.216 ----- 0.971 -0.128 0.660 0.292 RESID 269 (F): 1.135 ----- -1.900 -0.074 -0.287 -0.063 RESID 270 (Y): -0.686 ----- 0.200 -0.060 -0.076 0.217 RESID 271 (K): 0.438 ----- 2.432 1.282 -0.829 -0.079 RESID 272 (G): -1.711 ----- 0.961 0.686 ----- -0.488 RESID 273 (F): 2.332 ----- 0.267 0.613 1.669 0.277 RESID 277 (F): ----- ----- -0.550 0.065 0.256 -0.413 RESID 278 (L): -0.993 ----- -1.625 -1.926 0.812 -0.261 RESID 279 (R): -1.227 ----- -2.094 -2.612 0.407 -0.566 RESID 280 (L): 0.990 ----- -1.168 -0.869 0.960 -0.417 RESID 281 (G): -0.194 ----- -2.043 -0.127 ----- 0.187 RESID 282 (S): -2.868 ----- -2.150 -2.270 -3.881 0.235 RESID 283 (W): -0.528 ----- -1.639 -2.158 0.979 -0.342 RESID 284 (N): 1.284 ----- ----- -0.233 0.723 0.291 RESID 285 (V): ----- ----- -0.128 ----- ----- 0.334 RESID 286 (V): 2.424 ----- -0.109 -1.098 -1.529 0.193 RESID 287 (M): 1.841 ----- -0.366 -0.858 -0.164 1.026 RESID 288 (F): 1.221 ----- -0.700 -0.391 -0.059 0.228 RESID 289 (V): 0.982 ----- ----- -2.345 -0.642 0.159 RESID 290 (T): ----- ----- -0.810 ----- ----- 0.726 RESID 291 (Y): -2.668 ----- -0.792 -0.211 0.218 0.409 RESID 292 (E): -0.982 ----- -2.418 0.301 0.365 0.205 RESID 293 (Q): 0.426 ----- -2.239 0.408 0.013 0.256 RESID 294 (L): 2.049 ----- -0.468 1.133 -0.344 0.470 RESID 295 (K): 1.007 ----- ----- 1.191 -1.128 -0.207 RESID 296 (R): ----- ----- ----- ----- ----- -0.043 RESID 297 (A): ----- ----- -0.105 ----- ----- -0.083 RESID 298 (L): -3.168 ----- 1.705 2.950 0.087 -0.464 RESID 299 (M): -0.375 ----- 3.601 3.490 0.358 -0.646 RESID 300 (A): -2.198 ----- 4.080 3.211 -1.668 0.145 RESID 301 (A): -7.502 ----- 0.443 0.944 -0.405 -0.857 RESID 302 (Y): -1.496 ----- -0.588 -0.837 1.332 -0.458 RESID 303 (Q): -0.688 ----- -1.656 0.012 1.157 -0.582 RESID 304 (S): -0.539 ----- -1.684 -1.498 0.927 -0.178 RESID 305 (R): 0.583 ----- -2.395 1.478 0.306 -0.602 RESID 306 (E): 2.787 ----- -1.312 0.999 1.095 0.213 RESID 307 (A): -3.897 ----- -1.361 1.445 0.891 -0.068 DATA CS_STAT_INFO N RMS: 2.381 ppm Count: 236 Average Difference: -0.187 +/- 2.378 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.136 ppm Count: 239 Average Difference: 0.343 +/- 1.085 ppm DATA CS_STAT_INFO CA RMS: 1.609 ppm Count: 241 Average Difference: 0.106 +/- 1.609 ppm DATA CS_STAT_INFO CB RMS: 2.459 ppm Count: 215 Average Difference: -0.642 +/- 2.379 ppm DATA CS_STAT_INFO HN RMS: 0.415 ppm Count: 249 Average Difference: -0.056 +/- 0.412 ppm ############################################################################ For conformer 6: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 123.793 -0.698 RESID 15 (V): C 176.453 176.453 176.225 0.228 RESID 15 (V): CA 63.979 63.979 61.071 2.908 RESID 15 (V): CB 32.507 32.507 36.168 -3.661 RESID 15 (V): H 8.053 8.053 8.200 -0.147 RESID 16 (K): N 123.075 123.075 122.651 0.424 RESID 16 (K): C 176.841 176.841 178.453 -1.612 RESID 16 (K): CA 59.762 59.762 59.045 0.717 RESID 16 (K): CB 32.751 32.751 32.555 0.196 RESID 16 (K): H 8.059 8.059 8.662 -0.603 RESID 17 (F): N 118.838 118.838 120.888 -2.050 RESID 17 (F): C 175.443 175.443 177.348 -1.905 RESID 17 (F): CA 59.915 59.915 60.835 -0.920 RESID 17 (F): CB 39.659 39.659 38.902 0.757 RESID 17 (F): H 7.909 7.909 8.189 -0.280 RESID 18 (L): N 119.089 119.089 118.126 0.963 RESID 18 (L): C 177.195 177.195 179.218 -2.023 RESID 18 (L): CA 55.385 55.385 56.898 -1.513 RESID 18 (L): CB 42.905 42.905 40.597 2.308 RESID 18 (L): H 7.814 7.814 7.996 -0.182 RESID 19 (G): N 108.484 108.484 108.262 0.222 RESID 19 (G): C 174.967 174.967 175.675 -0.708 RESID 19 (G): CA 45.518 45.518 47.183 -1.665 RESID 19 (G): H 8.032 8.032 8.452 -0.420 RESID 20 (A): N 124.208 124.208 123.719 0.489 RESID 20 (A): C 179.405 179.405 179.105 0.300 RESID 20 (A): CA 54.531 54.531 54.405 0.126 RESID 20 (A): CB 18.995 18.995 18.300 0.695 RESID 20 (A): H 8.318 8.318 8.030 0.288 RESID 21 (G): N 108.209 108.209 107.212 0.997 RESID 21 (G): C 175.676 175.676 176.130 -0.454 RESID 21 (G): CA 46.742 46.742 47.301 -0.559 RESID 21 (G): H 8.523 8.523 8.230 0.293 RESID 22 (T): N 119.542 119.542 114.781 4.761 RESID 22 (T): C 175.661 175.661 176.237 -0.576 RESID 22 (T): CA 66.401 66.401 64.742 1.659 RESID 22 (T): CB 68.866 68.866 68.888 -0.022 RESID 22 (T): H 7.881 7.881 8.315 -0.434 RESID 23 (A): N 123.431 123.431 124.620 -1.189 RESID 23 (A): C 178.628 178.628 178.921 -0.293 RESID 23 (A): CA 55.480 55.480 54.918 0.562 RESID 23 (A): CB 18.218 18.218 18.176 0.042 RESID 23 (A): H 8.263 8.263 7.448 0.815 RESID 24 (A): N 119.939 119.939 120.914 -0.975 RESID 24 (A): C 179.172 179.172 179.029 0.143 RESID 24 (A): CA 55.038 55.038 55.164 -0.126 RESID 24 (A): CB 18.385 18.385 18.368 0.017 RESID 24 (A): H 7.827 7.827 8.304 -0.477 RESID 25 (C): N 116.736 116.736 116.542 0.194 RESID 25 (C): C 176.220 176.220 176.544 -0.324 RESID 25 (C): CA 58.596 58.596 61.961 -3.365 RESID 25 (C): CB 41.771 41.771 27.349 14.421 RESID 25 (C): H 7.677 7.677 7.378 0.299 RESID 26 (I): N 119.154 119.154 121.514 -2.360 RESID 26 (I): C 176.915 176.915 177.118 -0.203 RESID 26 (I): CA 64.858 64.858 63.921 0.937 RESID 26 (I): CB 38.090 38.090 37.819 0.271 RESID 26 (I): H 7.899 7.899 7.501 0.398 RESID 27 (A): N 121.116 121.116 122.005 -0.889 RESID 27 (A): C 179.016 179.016 178.898 0.118 RESID 27 (A): CA 55.367 55.367 54.943 0.424 RESID 27 (A): CB 18.385 18.385 18.602 -0.216 RESID 27 (A): H 7.909 7.909 7.737 0.172 RESID 28 (D): N 116.829 116.829 117.287 -0.458 RESID 28 (D): C 177.643 177.643 178.407 -0.764 RESID 28 (D): CA 56.453 56.453 57.547 -1.094 RESID 28 (D): CB 41.128 41.128 41.049 0.079 RESID 28 (D): H 7.554 7.554 7.547 0.007 RESID 29 (L): N 119.672 119.672 119.325 0.347 RESID 29 (L): C 178.628 178.628 178.991 -0.363 RESID 29 (L): CA 57.144 57.144 58.333 -1.189 RESID 29 (L): CB 43.146 43.146 41.474 1.672 RESID 29 (L): H 7.732 7.732 7.336 0.396 RESID 30 (I): N 113.629 113.629 116.382 -2.753 RESID 30 (I): C 176.456 176.456 175.906 0.550 RESID 30 (I): CA 60.539 60.539 62.497 -1.958 RESID 30 (I): CB 38.506 38.506 37.923 0.583 RESID 30 (I): H 7.977 7.977 7.786 0.191 RESID 31 (T): N 113.314 113.314 110.475 2.839 RESID 31 (T): C 174.045 174.045 175.946 -1.901 RESID 31 (T): CA 62.495 62.495 62.635 -0.140 RESID 31 (T): CB 69.898 69.898 70.323 -0.425 RESID 31 (T): H 7.738 7.738 7.129 0.609 RESID 32 (F): N 123.409 123.409 124.662 -1.253 RESID 32 (F): CA 56.349 56.349 61.399 -5.050 RESID 32 (F): CB 39.148 39.148 37.463 1.685 RESID 32 (F): H 7.609 7.609 8.391 -0.782 RESID 33 (P): C 177.831 177.831 177.512 0.319 RESID 33 (P): CA 62.656 62.656 64.670 -2.014 RESID 33 (P): CB 34.762 34.762 31.052 3.710 RESID 34 (L): N 124.503 124.503 118.685 5.818 RESID 34 (L): C 176.298 176.298 178.810 -2.512 RESID 34 (L): CA 55.545 55.545 57.607 -2.062 RESID 34 (L): CB 43.287 43.287 40.999 2.288 RESID 34 (L): H 8.659 8.659 7.208 1.451 RESID 35 (D): N 121.663 121.663 119.066 2.597 RESID 35 (D): C 177.152 177.152 178.469 -1.317 RESID 35 (D): CA 54.326 54.326 57.367 -3.041 RESID 35 (D): CB 41.154 41.154 40.314 0.840 RESID 35 (D): H 8.236 8.236 7.585 0.651 RESID 36 (T): N 115.977 115.977 114.828 1.149 RESID 36 (T): C 177.088 177.088 175.972 1.116 RESID 36 (T): CA 64.868 64.868 66.140 -1.272 RESID 36 (T): CB 69.053 69.053 68.506 0.547 RESID 36 (T): H 8.127 8.127 7.805 0.322 RESID 37 (A): N 125.063 125.063 123.089 1.974 RESID 37 (A): C 179.143 179.143 179.289 -0.146 RESID 37 (A): CA 55.234 55.234 55.270 -0.036 RESID 37 (A): CB 18.735 18.735 18.314 0.421 RESID 37 (A): H 8.042 8.042 7.611 0.431 RESID 38 (K): N 117.827 117.827 118.707 -0.880 RESID 38 (K): C 178.239 178.239 178.442 -0.203 RESID 38 (K): CA 58.861 58.861 59.008 -0.147 RESID 38 (K): CB 32.724 32.724 32.109 0.615 RESID 38 (K): H 7.759 7.759 7.595 0.164 RESID 39 (V): N 118.955 118.955 118.008 0.947 RESID 39 (V): C 177.892 177.892 177.926 -0.034 RESID 39 (V): CA 65.478 65.478 65.339 0.139 RESID 39 (V): CB 34.675 34.675 31.645 3.030 RESID 39 (V): H 7.554 7.554 7.402 0.152 RESID 40 (R): N 119.922 119.922 118.437 1.485 RESID 40 (R): C 178.391 178.391 178.859 -0.468 RESID 40 (R): CA 59.648 59.648 58.080 1.569 RESID 40 (R): CB 29.933 29.933 29.928 0.005 RESID 40 (R): H 7.794 7.794 7.416 0.378 RESID 41 (L): N 118.720 118.720 120.382 -1.662 RESID 41 (L): CA 54.749 54.749 55.008 -0.259 RESID 41 (L): CB 40.429 40.429 39.010 1.419 RESID 41 (L): H 7.534 7.534 7.493 0.041 RESID 49 (G): C 174.779 174.779 175.413 -0.634 RESID 50 (L): N 123.029 123.029 121.967 1.062 RESID 50 (L): C 178.482 178.482 178.426 0.056 RESID 50 (L): CA 56.765 56.765 57.012 -0.247 RESID 50 (L): CB 41.673 41.673 41.529 0.144 RESID 50 (L): H 8.113 8.113 7.585 0.528 RESID 51 (V): N 118.714 118.714 117.262 1.452 RESID 51 (V): C 178.032 178.032 177.073 0.959 RESID 51 (V): CA 66.037 66.037 66.454 -0.417 RESID 51 (V): CB 30.763 30.763 31.531 -0.768 RESID 51 (V): H 7.974 7.974 7.492 0.482 RESID 52 (R): N 121.569 121.569 115.143 6.426 RESID 52 (R): CA 59.167 59.167 58.197 0.970 RESID 52 (R): CB 29.437 29.437 29.555 -0.118 RESID 52 (R): H 8.231 8.231 8.340 -0.109 RESID 53 (T): C 175.108 175.108 175.153 -0.045 RESID 53 (T): H 7.948 7.948 7.419 0.529 RESID 54 (A): N 121.823 121.823 124.435 -2.612 RESID 54 (A): C 174.922 174.922 176.283 -1.361 RESID 54 (A): CA 50.101 50.101 51.165 -1.064 RESID 54 (A): CB 18.950 18.950 19.456 -0.506 RESID 54 (A): H 7.792 7.792 7.628 0.164 RESID 55 (A): N 113.986 113.986 127.200 -13.214 RESID 55 (A): C 178.007 178.007 177.505 0.502 RESID 55 (A): CA 53.458 53.458 53.362 0.096 RESID 55 (A): CB 18.809 18.809 19.547 -0.738 RESID 55 (A): H 7.333 7.333 8.564 -1.231 RESID 56 (S): N 125.425 125.425 114.128 11.297 RESID 56 (S): C 174.899 174.899 173.518 1.381 RESID 56 (S): CA 59.520 59.520 56.745 2.775 RESID 56 (S): CB 64.051 64.051 64.336 -0.285 RESID 56 (S): H 7.786 7.786 7.649 0.137 RESID 57 (A): N 118.183 118.183 120.437 -2.254 RESID 57 (A): CA 53.783 53.783 53.630 0.152 RESID 57 (A): CB 17.599 17.599 17.771 -0.172 RESID 57 (A): H 8.018 8.018 7.494 0.524 RESID 59 (Y): C 177.662 177.662 177.259 0.403 RESID 60 (R): N 122.798 122.798 120.595 2.203 RESID 60 (R): C 177.956 177.956 177.872 0.084 RESID 60 (R): CA 58.711 58.711 57.980 0.731 RESID 60 (R): CB 30.659 30.659 29.998 0.661 RESID 60 (R): H 8.311 8.311 8.669 -0.358 RESID 61 (G): N 109.033 109.033 109.445 -0.412 RESID 61 (G): C 176.064 176.064 174.899 1.165 RESID 61 (G): CA 46.592 46.592 45.097 1.495 RESID 61 (G): H 8.182 8.182 8.290 -0.108 RESID 62 (V): N 123.218 123.218 125.882 -2.664 RESID 62 (V): C 177.540 177.540 177.193 0.347 RESID 62 (V): CA 66.277 66.277 64.495 1.782 RESID 62 (V): CB 32.355 32.355 32.114 0.241 RESID 62 (V): H 8.105 8.105 8.486 -0.381 RESID 63 (L): N 120.295 120.295 120.041 0.254 RESID 63 (L): C 178.628 178.628 178.894 -0.266 RESID 63 (L): CA 58.366 58.366 57.506 0.860 RESID 63 (L): CB 41.675 41.675 40.425 1.250 RESID 63 (L): H 8.182 8.182 8.299 -0.117 RESID 64 (G): N 106.013 106.013 105.506 0.507 RESID 64 (G): C 176.531 176.531 176.320 0.211 RESID 64 (G): CA 47.765 47.765 47.216 0.549 RESID 64 (G): H 8.102 8.102 7.816 0.286 RESID 65 (T): N 120.842 120.842 118.925 1.917 RESID 65 (T): C 176.453 176.453 176.345 0.108 RESID 65 (T): CA 67.140 67.140 66.728 0.412 RESID 65 (T): CB 69.161 69.161 68.568 0.593 RESID 65 (T): H 7.854 7.854 7.434 0.420 RESID 66 (I): N 122.676 122.676 122.034 0.642 RESID 66 (I): C 177.307 177.307 177.237 0.070 RESID 66 (I): CA 65.832 65.832 64.458 1.374 RESID 66 (I): CB 38.090 38.090 37.986 0.104 RESID 66 (I): H 8.018 8.018 7.409 0.609 RESID 67 (L): N 119.838 119.838 119.358 0.480 RESID 67 (L): C 178.706 178.706 178.794 -0.088 RESID 67 (L): CA 58.491 58.491 57.980 0.511 RESID 67 (L): CB 41.387 41.387 40.739 0.649 RESID 67 (L): H 8.291 8.291 7.575 0.716 RESID 68 (T): N 115.362 115.362 115.160 0.202 RESID 68 (T): C 176.764 176.764 176.659 0.105 RESID 68 (T): CA 67.040 67.040 66.525 0.515 RESID 68 (T): CB 69.403 69.403 68.704 0.699 RESID 68 (T): H 7.963 7.963 7.202 0.761 RESID 69 (M): N 122.960 122.960 120.454 2.506 RESID 69 (M): C 177.153 177.153 178.033 -0.880 RESID 69 (M): CA 59.710 59.710 58.133 1.577 RESID 69 (M): CB 33.111 33.111 32.032 1.079 RESID 69 (M): H 7.977 7.977 7.659 0.318 RESID 70 (V): N 119.558 119.558 118.849 0.709 RESID 70 (V): C 176.841 176.841 177.539 -0.698 RESID 70 (V): CA 66.277 66.277 65.151 1.125 RESID 70 (V): CB 31.362 31.362 31.638 -0.276 RESID 70 (V): H 7.751 7.751 7.488 0.263 RESID 71 (R): N 118.002 118.002 118.330 -0.328 RESID 71 (R): C 177.152 177.152 178.201 -1.049 RESID 71 (R): CA 58.761 58.761 58.020 0.741 RESID 71 (R): CB 30.656 30.656 30.154 0.502 RESID 71 (R): H 7.827 7.827 7.556 0.271 RESID 72 (T): N 111.410 111.410 114.463 -3.053 RESID 72 (T): C 175.288 175.288 175.672 -0.384 RESID 72 (T): CA 64.194 64.194 65.472 -1.278 RESID 72 (T): CB 70.312 70.312 69.121 1.191 RESID 72 (T): H 7.745 7.745 7.725 0.020 RESID 73 (E): N 120.577 120.577 118.110 2.467 RESID 73 (E): C 177.696 177.696 176.111 1.585 RESID 73 (E): CA 57.363 57.363 56.831 0.532 RESID 73 (E): CB 30.927 30.927 32.070 -1.143 RESID 73 (E): H 8.263 8.263 8.070 0.193 RESID 74 (G): N 108.209 108.209 106.561 1.648 RESID 74 (G): CA 45.593 45.593 44.787 0.806 RESID 74 (G): H 7.841 7.841 7.446 0.395 RESID 75 (P): C 177.152 177.152 178.618 -1.466 RESID 75 (P): CA 65.652 65.652 64.500 1.152 RESID 75 (P): CB 32.294 32.294 32.264 0.030 RESID 76 (R): N 118.553 118.553 116.276 2.277 RESID 76 (R): C 177.696 177.696 177.282 0.414 RESID 76 (R): CA 59.785 59.785 58.642 1.143 RESID 76 (R): CB 29.671 29.671 29.458 0.213 RESID 76 (R): H 8.427 8.427 8.461 -0.034 RESID 77 (S): N 115.323 115.323 114.169 1.154 RESID 77 (S): C 177.230 177.230 175.444 1.786 RESID 77 (S): CA 61.318 61.318 61.022 0.296 RESID 77 (S): CB 63.281 63.281 63.622 -0.341 RESID 77 (S): H 7.963 7.963 8.156 -0.193 RESID 78 (L): N 122.598 122.598 120.630 1.968 RESID 78 (L): C 177.696 177.696 178.093 -0.397 RESID 78 (L): CA 57.792 57.792 56.867 0.925 RESID 78 (L): CB 42.202 42.202 41.894 0.308 RESID 78 (L): H 7.595 7.595 7.416 0.179 RESID 79 (Y): N 119.276 119.276 115.112 4.164 RESID 79 (Y): C 176.142 176.142 176.404 -0.262 RESID 79 (Y): CA 60.792 60.792 58.798 1.994 RESID 79 (Y): CB 38.687 38.687 37.944 0.743 RESID 79 (Y): H 7.868 7.868 7.221 0.647 RESID 80 (N): N 117.249 117.249 118.032 -0.783 RESID 80 (N): C 178.472 178.472 175.370 3.102 RESID 80 (N): CA 53.024 53.024 52.835 0.189 RESID 80 (N): CB 37.946 37.946 37.773 0.173 RESID 80 (N): H 8.374 8.374 7.658 0.716 RESID 81 (G): N 108.575 108.575 105.863 2.712 RESID 81 (G): C 175.521 175.521 174.789 0.732 RESID 81 (G): CA 46.266 46.266 45.559 0.707 RESID 81 (G): H 8.086 8.086 7.821 0.265 RESID 82 (L): N 124.326 124.326 122.649 1.677 RESID 82 (L): C 178.239 178.239 177.730 0.509 RESID 82 (L): CA 58.217 58.217 57.434 0.783 RESID 82 (L): CB 42.351 42.351 41.911 0.440 RESID 82 (L): H 7.991 7.991 7.753 0.238 RESID 83 (V): N 117.727 117.727 118.287 -0.560 RESID 83 (V): C 177.851 177.851 176.926 0.925 RESID 83 (V): CA 64.113 64.113 64.797 -0.684 RESID 83 (V): CB 31.924 31.924 31.342 0.582 RESID 83 (V): H 8.004 8.004 8.208 -0.204 RESID 84 (A): N 121.414 121.414 121.643 -0.229 RESID 84 (A): C 180.570 180.570 179.696 0.874 RESID 84 (A): CA 55.031 55.031 54.619 0.412 RESID 84 (A): CB 18.286 18.286 18.381 -0.095 RESID 84 (A): H 7.677 7.677 7.261 0.416 RESID 85 (G): N 106.471 106.471 107.232 -0.761 RESID 85 (G): C 175.521 175.521 176.011 -0.490 RESID 85 (G): CA 47.191 47.191 46.552 0.639 RESID 85 (G): H 7.963 7.963 7.588 0.375 RESID 86 (L): N 122.326 122.326 122.129 0.197 RESID 86 (L): C 178.239 178.239 178.885 -0.646 RESID 86 (L): CA 57.493 57.493 57.577 -0.084 RESID 86 (L): CB 42.202 42.202 41.755 0.447 RESID 86 (L): H 8.100 8.100 7.409 0.691 RESID 87 (Q): N 117.736 117.736 116.965 0.771 RESID 87 (Q): C 177.340 177.340 178.107 -0.767 RESID 87 (Q): CA 57.787 57.787 58.662 -0.875 RESID 87 (Q): CB 28.942 28.942 27.955 0.987 RESID 87 (Q): H 8.004 8.004 7.847 0.157 RESID 88 (R): N 118.107 118.107 120.643 -2.536 RESID 88 (R): C 177.930 177.930 178.714 -0.784 RESID 88 (R): CA 58.062 58.062 59.761 -1.698 RESID 88 (R): CB 30.774 30.774 29.921 0.853 RESID 88 (R): H 7.568 7.568 7.325 0.243 RESID 89 (Q): N 117.921 117.921 117.536 0.385 RESID 89 (Q): C 177.375 177.375 178.356 -0.981 RESID 89 (Q): CA 56.838 56.838 57.778 -0.939 RESID 89 (Q): CB 29.006 29.006 28.317 0.689 RESID 89 (Q): H 7.827 7.827 7.515 0.312 RESID 90 (M): N 118.378 118.378 119.993 -1.615 RESID 90 (M): C 176.365 176.365 178.168 -1.803 RESID 90 (M): CA 56.339 56.339 58.978 -2.639 RESID 90 (M): CB 33.444 33.444 32.836 0.608 RESID 90 (M): H 7.963 7.963 8.421 -0.458 RESID 91 (S): N 115.089 115.089 115.056 0.033 RESID 91 (S): C 175.899 175.899 176.561 -0.662 RESID 91 (S): CA 58.621 58.621 60.837 -2.216 RESID 91 (S): CB 64.337 64.337 63.016 1.321 RESID 91 (S): H 7.868 7.868 7.888 -0.020 RESID 92 (F): N 122.852 122.852 123.939 -1.087 RESID 92 (F): C 177.375 177.375 176.713 0.662 RESID 92 (F): CA 59.095 59.095 61.682 -2.587 RESID 92 (F): CB 38.937 38.937 39.150 -0.213 RESID 92 (F): H 8.332 8.332 7.562 0.770 RESID 93 (A): N 123.258 123.258 119.434 3.824 RESID 93 (A): C 178.628 178.628 178.690 -0.062 RESID 93 (A): CA 54.881 54.881 54.624 0.257 RESID 93 (A): CB 17.902 17.902 18.297 -0.395 RESID 93 (A): H 8.223 8.223 7.731 0.492 RESID 94 (S): N 112.886 112.886 114.601 -1.715 RESID 94 (S): C 176.831 176.831 176.893 -0.062 RESID 94 (S): CA 60.319 60.319 60.822 -0.503 RESID 94 (S): CB 63.611 63.611 63.569 0.042 RESID 94 (S): H 7.977 7.977 7.600 0.377 RESID 95 (V): N 121.854 121.854 122.912 -1.058 RESID 95 (V): C 176.220 176.220 176.056 0.164 RESID 95 (V): CA 64.629 64.629 64.395 0.234 RESID 95 (V): CB 31.328 31.328 31.296 0.032 RESID 95 (V): H 7.581 7.581 8.529 -0.948 RESID 96 (R): N 121.329 121.329 118.527 2.802 RESID 96 (R): C 176.814 176.814 177.243 -0.429 RESID 96 (R): CA 58.636 58.636 57.634 1.002 RESID 96 (R): CB 30.672 30.672 29.321 1.351 RESID 96 (R): H 7.936 7.936 7.276 0.660 RESID 97 (I): N 119.194 119.194 118.011 1.183 RESID 97 (I): C 177.152 177.152 176.687 0.465 RESID 97 (I): CA 63.296 63.296 62.688 0.608 RESID 97 (I): CB 38.757 38.757 38.397 0.360 RESID 97 (I): H 7.802 7.802 7.463 0.339 RESID 98 (G): N 109.857 109.857 107.546 2.311 RESID 98 (G): C 176.064 176.064 175.175 0.889 RESID 98 (G): CA 46.941 46.941 46.146 0.795 RESID 98 (G): H 8.127 8.127 7.702 0.425 RESID 99 (L): N 123.258 123.258 122.967 0.291 RESID 99 (L): C 177.856 177.856 178.428 -0.572 RESID 99 (L): CA 58.264 58.264 56.331 1.933 RESID 99 (L): CB 42.488 42.488 40.447 2.041 RESID 99 (L): H 8.223 8.223 8.020 0.203 RESID 100 (Y): N 119.770 119.770 120.572 -0.802 RESID 100 (Y): C 176.997 176.997 176.983 0.014 RESID 100 (Y): CA 61.592 61.592 62.725 -1.133 RESID 100 (Y): CB 38.809 38.809 38.414 0.395 RESID 100 (Y): H 8.207 8.207 7.941 0.266 RESID 101 (D): N 118.460 118.460 117.652 0.808 RESID 101 (D): C 178.939 178.939 178.389 0.550 RESID 101 (D): CA 57.797 57.797 57.845 -0.048 RESID 101 (D): CB 40.498 40.498 40.194 0.304 RESID 101 (D): H 8.401 8.401 8.702 -0.301 RESID 102 (S): N 116.022 116.022 115.844 0.178 RESID 102 (S): C 176.005 176.005 176.247 -0.242 RESID 102 (S): CA 62.791 62.791 61.550 1.241 RESID 102 (S): CB 64.211 64.211 63.206 1.005 RESID 102 (S): H 7.854 7.854 7.859 -0.005 RESID 103 (V): N 120.844 120.844 122.010 -1.166 RESID 103 (V): C 177.307 177.307 176.698 0.609 RESID 103 (V): CA 66.510 66.510 65.105 1.405 RESID 103 (V): CB 31.965 31.965 31.928 0.037 RESID 103 (V): H 7.926 7.926 7.536 0.390 RESID 104 (K): N 120.468 120.468 119.324 1.144 RESID 104 (K): C 178.861 178.861 178.508 0.353 RESID 104 (K): CA 60.184 60.184 59.459 0.725 RESID 104 (K): CB 31.979 31.979 31.699 0.280 RESID 104 (K): H 8.127 8.127 7.854 0.273 RESID 105 (Q): N 118.386 118.386 117.611 0.775 RESID 105 (Q): C 177.540 177.540 178.252 -0.712 RESID 105 (Q): CA 58.786 58.786 57.560 1.226 RESID 105 (Q): CB 28.377 28.377 28.482 -0.105 RESID 105 (Q): H 7.841 7.841 7.534 0.307 RESID 106 (F): N 119.471 119.471 118.766 0.705 RESID 106 (F): C 176.531 176.531 175.292 1.239 RESID 106 (F): CA 60.593 60.593 59.935 0.657 RESID 106 (F): CB 39.459 39.459 39.160 0.299 RESID 106 (F): H 7.772 7.772 7.471 0.301 RESID 107 (Y): N 118.288 118.288 114.395 3.893 RESID 107 (Y): C 176.220 176.220 176.974 -0.754 RESID 107 (Y): CA 60.543 60.543 58.299 2.244 RESID 107 (Y): CB 38.819 38.819 39.531 -0.712 RESID 107 (Y): H 8.045 8.045 7.220 0.825 RESID 108 (T): N 113.383 113.383 113.684 -0.301 RESID 108 (T): C 175.288 175.288 174.034 1.254 RESID 108 (T): CA 64.094 64.094 62.503 1.591 RESID 108 (T): CB 69.986 69.986 68.800 1.186 RESID 108 (T): H 7.868 7.868 7.888 -0.020 RESID 113 (H): C 173.413 173.413 174.075 -0.662 RESID 113 (H): H 7.968 7.968 8.616 -0.648 RESID 114 (A): N 119.456 119.456 121.240 -1.784 RESID 114 (A): C 177.851 177.851 176.360 1.491 RESID 114 (A): CA 53.283 53.283 52.329 0.954 RESID 114 (A): CB 19.362 19.362 20.041 -0.679 RESID 114 (A): H 8.433 8.433 7.722 0.711 RESID 115 (G): N 108.484 108.484 105.843 2.641 RESID 115 (G): C 174.822 174.822 175.468 -0.646 RESID 115 (G): CA 45.968 45.968 45.134 0.834 RESID 115 (G): H 8.250 8.250 8.628 -0.378 RESID 116 (I): N 121.139 121.139 121.451 -0.312 RESID 116 (I): C 176.841 176.841 177.648 -0.807 RESID 116 (I): CA 63.160 63.160 64.055 -0.895 RESID 116 (I): CB 38.853 38.853 37.559 1.294 RESID 116 (I): H 8.127 8.127 8.291 -0.164 RESID 117 (G): N 110.863 110.863 107.798 3.065 RESID 117 (G): C 174.588 174.588 176.115 -1.527 RESID 117 (G): CA 46.791 46.791 47.310 -0.519 RESID 117 (G): H 8.509 8.509 8.458 0.051 RESID 118 (S): N 116.069 116.069 119.132 -3.063 RESID 118 (S): C 175.754 175.754 177.013 -1.259 RESID 118 (S): CA 60.319 60.319 62.098 -1.779 RESID 118 (S): CB 63.864 63.864 62.763 1.101 RESID 118 (S): H 7.991 7.991 8.161 -0.170 RESID 119 (R): N 122.134 122.134 121.431 0.703 RESID 119 (R): C 178.228 178.228 178.808 -0.580 RESID 119 (R): CA 57.787 57.787 59.708 -1.921 RESID 119 (R): CB 30.549 30.549 30.069 0.480 RESID 119 (R): H 7.963 7.963 8.499 -0.536 RESID 120 (L): N 120.403 120.403 121.322 -0.919 RESID 120 (L): C 177.230 177.230 179.035 -1.805 RESID 120 (L): CA 57.967 57.967 58.117 -0.150 RESID 120 (L): CB 42.146 42.146 41.721 0.425 RESID 120 (L): H 7.914 7.914 7.764 0.150 RESID 121 (L): N 118.960 118.960 120.201 -1.241 RESID 121 (L): C 177.152 177.152 178.701 -1.549 RESID 121 (L): CA 55.495 55.495 57.974 -2.479 RESID 121 (L): CB 42.238 42.238 41.767 0.471 RESID 121 (L): H 7.718 7.718 8.515 -0.797 RESID 122 (A): N 123.063 123.063 121.047 2.016 RESID 122 (A): C 178.317 178.317 179.847 -1.530 RESID 122 (A): CA 53.358 53.358 55.620 -2.263 RESID 122 (A): CB 19.218 19.218 18.112 1.106 RESID 122 (A): H 7.745 7.745 9.027 -1.282 RESID 123 (G): N 107.843 107.843 106.710 1.133 RESID 123 (G): C 176.912 176.912 176.640 0.272 RESID 123 (G): CA 45.943 45.943 47.240 -1.297 RESID 123 (G): H 8.113 8.113 8.918 -0.805 RESID 124 (S): N 116.105 116.105 117.725 -1.620 RESID 124 (S): C 175.574 175.574 176.946 -1.372 RESID 124 (S): CA 59.145 59.145 61.913 -2.768 RESID 124 (S): CB 64.211 64.211 62.709 1.502 RESID 124 (S): H 8.109 8.109 8.743 -0.634 RESID 125 (T): N 116.069 116.069 117.254 -1.185 RESID 125 (T): C 176.055 176.055 176.693 -0.638 RESID 125 (T): CA 66.921 66.921 66.140 0.781 RESID 125 (T): CB 69.682 69.682 69.042 0.640 RESID 125 (T): H 8.086 8.086 8.369 -0.283 RESID 126 (T): N 115.439 115.439 116.921 -1.482 RESID 126 (T): C 177.443 177.443 176.637 0.806 RESID 126 (T): CA 65.285 65.285 66.916 -1.631 RESID 126 (T): CB 68.364 68.364 68.603 -0.240 RESID 126 (T): H 7.977 7.977 8.336 -0.359 RESID 127 (G): N 115.453 115.453 108.335 7.118 RESID 127 (G): C 174.215 174.215 175.130 -0.915 RESID 127 (G): CA 46.117 46.117 46.941 -0.823 RESID 127 (G): H 8.168 8.168 8.167 0.001 RESID 128 (A): N 123.952 123.952 124.904 -0.952 RESID 128 (A): C 178.162 178.162 179.649 -1.487 RESID 128 (A): CA 53.349 53.349 54.684 -1.335 RESID 128 (A): CB 19.099 19.099 18.553 0.546 RESID 128 (A): H 7.919 7.919 7.522 0.397 RESID 129 (L): N 120.025 120.025 118.697 1.328 RESID 129 (L): C 177.949 177.949 178.976 -1.027 RESID 129 (L): CA 56.019 56.019 57.442 -1.423 RESID 129 (L): CB 42.340 42.340 41.866 0.474 RESID 129 (L): H 7.936 7.936 7.689 0.247 RESID 130 (A): N 123.402 123.402 121.183 2.219 RESID 130 (A): C 177.929 177.929 179.306 -1.377 RESID 130 (A): CA 53.283 53.283 54.998 -1.715 RESID 130 (A): CB 18.964 18.964 18.280 0.684 RESID 130 (A): H 7.868 7.868 8.275 -0.407 RESID 131 (V): N 118.111 118.111 118.195 -0.084 RESID 131 (V): C 176.025 176.025 177.117 -1.092 RESID 131 (V): CA 63.180 63.180 65.025 -1.845 RESID 131 (V): CB 32.898 32.898 30.945 1.953 RESID 131 (V): H 7.636 7.636 8.087 -0.451 RESID 132 (A): N 124.047 124.047 122.407 1.640 RESID 132 (A): C 179.008 179.008 178.726 0.282 RESID 132 (A): CA 53.707 53.707 54.511 -0.804 RESID 132 (A): CB 19.150 19.150 18.625 0.525 RESID 132 (A): H 7.911 7.911 7.455 0.456 RESID 133 (V): N 113.349 113.349 118.945 -5.596 RESID 133 (V): C 175.527 175.527 176.337 -0.810 RESID 133 (V): CA 64.115 64.115 63.292 0.823 RESID 133 (V): CB 31.832 31.832 32.532 -0.700 RESID 133 (V): H 7.094 7.094 7.554 -0.460 RESID 134 (A): N 123.224 123.224 121.125 2.099 RESID 134 (A): CA 55.493 55.493 51.974 3.519 RESID 134 (A): H 7.586 7.586 7.499 0.087 RESID 136 (P): C 177.074 177.074 178.305 -1.231 RESID 137 (T): N 113.281 113.281 108.273 5.008 RESID 137 (T): C 174.485 174.485 177.017 -2.532 RESID 137 (T): CA 64.496 64.496 66.446 -1.950 RESID 137 (T): CB 69.997 69.997 67.958 2.039 RESID 137 (T): H 7.963 7.963 8.344 -0.381 RESID 138 (D): N 122.770 122.770 123.019 -0.249 RESID 138 (D): C 178.458 178.458 178.189 0.269 RESID 138 (D): CA 56.776 56.776 57.032 -0.256 RESID 138 (D): CB 41.023 41.023 40.720 0.303 RESID 138 (D): H 8.094 8.094 7.663 0.431 RESID 139 (V): N 119.931 119.931 119.864 0.067 RESID 139 (V): C 177.502 177.502 178.090 -0.588 RESID 139 (V): CA 66.455 66.455 66.479 -0.024 RESID 139 (V): CB 32.804 32.804 31.470 1.334 RESID 139 (V): H 7.753 7.753 7.933 -0.180 RESID 140 (V): N 120.539 120.539 120.086 0.453 RESID 140 (V): C 176.232 176.232 178.349 -2.117 RESID 140 (V): CA 66.770 66.770 66.977 -0.207 RESID 140 (V): CB 32.086 32.086 30.943 1.143 RESID 140 (V): H 8.295 8.295 8.137 0.158 RESID 141 (K): N 120.122 120.122 120.304 -0.182 RESID 141 (K): C 176.120 176.120 179.149 -3.029 RESID 141 (K): CA 55.991 55.991 60.050 -4.059 RESID 141 (K): CB 31.712 31.712 32.369 -0.657 RESID 141 (K): H 7.698 7.698 7.616 0.082 RESID 142 (V): N 120.104 120.104 117.071 3.033 RESID 142 (V): CA 63.230 63.230 65.651 -2.421 RESID 142 (V): H 7.772 7.772 7.375 0.397 RESID 143 (R): C 178.401 178.401 178.281 0.120 RESID 143 (R): H 7.999 7.999 8.091 -0.092 RESID 144 (F): N 120.445 120.445 119.549 0.896 RESID 144 (F): C 177.856 177.856 176.496 1.360 RESID 144 (F): CA 61.438 61.438 61.056 0.382 RESID 144 (F): H 8.395 8.395 8.603 -0.208 RESID 145 (Q): N 124.180 124.180 118.225 5.955 RESID 145 (Q): C 174.844 174.844 177.294 -2.450 RESID 145 (Q): CA 56.414 56.414 57.909 -1.495 RESID 145 (Q): CB 30.721 30.721 29.287 1.434 RESID 145 (Q): H 8.094 8.094 7.799 0.295 RESID 146 (A): N 120.452 120.452 120.355 0.097 RESID 146 (A): C 177.929 177.929 177.796 0.133 RESID 146 (A): CA 53.483 53.483 53.275 0.208 RESID 146 (A): CB 18.431 18.431 19.074 -0.643 RESID 146 (A): H 7.939 7.939 7.381 0.558 RESID 147 (Q): N 119.388 119.388 118.084 1.304 RESID 147 (Q): C 176.029 176.029 174.969 1.060 RESID 147 (Q): CA 56.339 56.339 56.413 -0.074 RESID 147 (Q): CB 29.444 29.444 28.305 1.139 RESID 147 (Q): H 8.072 8.072 7.509 0.563 RESID 148 (A): N 125.199 125.199 128.410 -3.211 RESID 148 (A): C 177.766 177.766 178.266 -0.500 RESID 148 (A): CA 53.108 53.108 52.801 0.307 RESID 148 (A): CB 19.151 19.151 19.393 -0.242 RESID 148 (A): H 8.055 8.055 8.333 -0.278 RESID 149 (R): N 120.208 120.208 120.750 -0.542 RESID 149 (R): CA 56.414 56.414 55.237 1.177 RESID 149 (R): CB 30.749 30.749 29.616 1.133 RESID 149 (R): H 8.018 8.018 8.413 -0.395 RESID 159 (T): C 175.928 175.928 176.346 -0.418 RESID 160 (V): N 118.321 118.321 120.436 -2.115 RESID 160 (V): C 177.749 177.749 177.688 0.061 RESID 160 (V): CA 64.126 64.126 66.172 -2.046 RESID 160 (V): CB 31.343 31.343 31.642 -0.299 RESID 160 (V): H 8.073 8.073 7.937 0.136 RESID 161 (E): N 122.379 122.379 119.818 2.561 RESID 161 (E): C 178.783 178.783 178.231 0.552 RESID 161 (E): CA 59.550 59.550 59.051 0.499 RESID 161 (E): CB 29.597 29.597 29.286 0.311 RESID 161 (E): H 8.204 8.204 8.587 -0.383 RESID 162 (A): N 122.845 122.845 122.896 -0.051 RESID 162 (A): C 179.948 179.948 179.275 0.673 RESID 162 (A): CA 55.181 55.181 55.011 0.170 RESID 162 (A): CB 18.154 18.154 18.585 -0.431 RESID 162 (A): H 7.786 7.786 8.423 -0.637 RESID 163 (Y): N 118.902 118.902 119.810 -0.908 RESID 163 (Y): C 177.273 177.273 177.553 -0.280 RESID 163 (Y): CA 61.068 61.068 61.411 -0.343 RESID 163 (Y): CB 37.898 37.898 38.648 -0.750 RESID 163 (Y): H 7.922 7.922 7.849 0.073 RESID 164 (K): N 119.939 119.939 118.384 1.555 RESID 164 (K): C 178.239 178.239 179.025 -0.786 RESID 164 (K): CA 60.309 60.309 59.410 0.899 RESID 164 (K): CB 32.504 32.504 32.741 -0.237 RESID 164 (K): H 8.223 8.223 7.710 0.513 RESID 165 (T): N 115.262 115.262 113.147 2.115 RESID 165 (T): C 175.676 175.676 176.627 -0.951 RESID 165 (T): CA 66.516 66.516 66.233 0.284 RESID 165 (T): CB 69.367 69.367 68.460 0.907 RESID 165 (T): H 7.745 7.745 7.645 0.100 RESID 166 (I): N 121.571 121.571 118.188 3.383 RESID 166 (I): C 177.307 177.307 177.089 0.218 RESID 166 (I): CA 64.634 64.634 62.685 1.949 RESID 166 (I): CB 38.896 38.896 35.515 3.381 RESID 166 (I): H 7.540 7.540 7.516 0.024 RESID 167 (A): N 121.983 121.983 123.116 -1.133 RESID 167 (A): C 178.395 178.395 179.197 -0.802 RESID 167 (A): CA 54.656 54.656 54.868 -0.212 RESID 167 (A): CB 18.486 18.486 18.142 0.344 RESID 167 (A): H 8.059 8.059 7.816 0.243 RESID 168 (R): N 116.369 116.369 118.197 -1.828 RESID 168 (R): C 177.307 177.307 178.240 -0.933 RESID 168 (R): CA 58.486 58.486 58.921 -0.435 RESID 168 (R): CB 30.930 30.930 29.991 0.939 RESID 168 (R): H 7.690 7.690 7.503 0.187 RESID 169 (E): N 118.667 118.667 117.839 0.828 RESID 169 (E): C 177.696 177.696 178.398 -0.702 RESID 169 (E): CA 58.212 58.212 58.499 -0.287 RESID 169 (E): CB 30.357 30.357 30.213 0.144 RESID 169 (E): H 8.045 8.045 7.667 0.378 RESID 170 (E): N 118.202 118.202 116.930 1.272 RESID 170 (E): C 177.878 177.878 176.736 1.142 RESID 170 (E): CA 57.363 57.363 56.755 0.608 RESID 170 (E): CB 31.277 31.277 30.661 0.616 RESID 170 (E): H 8.550 8.550 8.563 -0.013 RESID 171 (G): N 108.941 108.941 107.012 1.929 RESID 171 (G): C 174.433 174.433 174.646 -0.213 RESID 171 (G): CA 45.193 45.193 44.567 0.626 RESID 171 (G): H 7.881 7.881 7.657 0.224 RESID 172 (I): N 120.842 120.842 116.149 4.693 RESID 172 (I): C 176.997 176.997 177.242 -0.245 RESID 172 (I): CA 63.810 63.810 63.790 0.020 RESID 172 (I): CB 38.516 38.516 38.138 0.378 RESID 172 (I): H 8.550 8.550 8.291 0.259 RESID 173 (R): N 119.480 119.480 119.962 -0.482 RESID 173 (R): C 178.084 178.084 178.800 -0.716 RESID 173 (R): CA 58.711 58.711 58.816 -0.105 RESID 173 (R): CB 29.796 29.796 29.374 0.422 RESID 173 (R): H 8.277 8.277 8.597 -0.320 RESID 174 (G): N 106.379 106.379 106.532 -0.153 RESID 174 (G): C 175.210 175.210 176.160 -0.950 RESID 174 (G): CA 46.767 46.767 46.437 0.330 RESID 174 (G): H 7.690 7.690 7.883 -0.193 RESID 175 (L): N 120.664 120.664 121.867 -1.203 RESID 175 (L): C 177.971 177.971 178.119 -0.148 RESID 175 (L): CA 57.104 57.104 56.571 0.533 RESID 175 (L): CB 42.559 42.559 42.378 0.181 RESID 175 (L): H 7.554 7.554 7.203 0.351 RESID 176 (W): N 117.031 117.031 119.092 -2.061 RESID 176 (W): C 176.987 176.987 176.751 0.236 RESID 176 (W): CA 57.672 57.672 59.111 -1.439 RESID 176 (W): CB 29.796 29.796 29.460 0.336 RESID 176 (W): H 7.499 7.499 8.143 -0.644 RESID 177 (K): N 120.567 120.567 117.413 3.154 RESID 177 (K): C 177.152 177.152 177.573 -0.421 RESID 177 (K): CA 57.712 57.712 59.507 -1.795 RESID 177 (K): CB 32.890 32.890 32.078 0.812 RESID 177 (K): H 7.595 7.595 7.389 0.206 RESID 178 (G): N 108.667 108.667 103.038 5.629 RESID 178 (G): C 174.045 174.045 175.425 -1.380 RESID 178 (G): CA 45.893 45.893 45.127 0.766 RESID 178 (G): H 7.881 7.881 7.931 -0.050 RESID 179 (T): N 115.080 115.080 116.396 -1.316 RESID 179 (T): C 175.192 175.192 176.203 -1.011 RESID 179 (T): CA 66.521 66.521 65.546 0.976 RESID 179 (T): CB 70.079 70.079 67.368 2.711 RESID 179 (T): H 7.622 7.622 7.470 0.152 RESID 180 (S): N 117.754 117.754 117.138 0.616 RESID 180 (S): CA 63.123 63.123 62.196 0.927 RESID 180 (S): CB 62.045 62.045 61.408 0.637 RESID 180 (S): H 8.195 8.195 7.269 0.926 RESID 182 (N): C 177.348 177.348 177.291 0.057 RESID 183 (V): N 118.118 118.118 120.164 -2.046 RESID 183 (V): C 176.944 176.944 177.410 -0.466 RESID 183 (V): CA 65.244 65.244 66.360 -1.116 RESID 183 (V): CB 32.508 32.508 31.755 0.753 RESID 183 (V): H 7.861 7.861 7.621 0.240 RESID 184 (A): N 122.284 122.284 121.600 0.684 RESID 184 (A): C 178.317 178.317 179.482 -1.165 RESID 184 (A): CA 55.339 55.339 55.236 0.103 RESID 184 (A): CB 28.230 28.230 18.180 10.050 RESID 184 (A): H 8.097 8.097 7.485 0.612 RESID 185 (R): N 117.321 117.321 118.682 -1.361 RESID 185 (R): C 177.527 177.527 178.831 -1.304 RESID 185 (R): CA 59.543 59.543 59.923 -0.380 RESID 185 (R): CB 29.767 29.767 29.926 -0.159 RESID 185 (R): H 7.611 7.611 7.843 -0.232 RESID 186 (N): N 117.294 117.294 118.181 -0.887 RESID 186 (N): C 176.599 176.599 177.387 -0.788 RESID 186 (N): CA 56.659 56.659 56.188 0.471 RESID 186 (N): CB 39.454 39.454 38.115 1.339 RESID 186 (N): H 8.048 8.048 7.700 0.348 RESID 187 (A): N 121.003 121.003 123.390 -2.387 RESID 187 (A): C 178.713 178.713 179.637 -0.924 RESID 187 (A): CA 55.520 55.520 54.861 0.659 RESID 187 (A): CB 18.097 18.097 18.698 -0.601 RESID 187 (A): H 7.322 7.322 7.559 -0.237 RESID 188 (I): N 119.319 119.319 119.574 -0.255 RESID 188 (I): C 176.634 176.634 177.836 -1.202 RESID 188 (I): CA 64.225 64.225 64.881 -0.656 RESID 188 (I): CB 37.658 37.658 37.943 -0.285 RESID 188 (I): H 7.779 7.779 8.373 -0.594 RESID 189 (V): N 117.265 117.265 118.700 -1.435 RESID 189 (V): C 177.529 177.529 177.799 -0.270 RESID 189 (V): CA 65.562 65.562 66.551 -0.989 RESID 189 (V): CB 31.407 31.407 30.965 0.442 RESID 189 (V): H 7.776 7.776 7.988 -0.212 RESID 190 (N): N 118.736 118.736 119.653 -0.917 RESID 190 (N): C 176.476 176.476 177.783 -1.307 RESID 190 (N): CA 56.813 56.813 56.381 0.432 RESID 190 (N): CB 38.268 38.268 37.761 0.507 RESID 190 (N): H 7.800 7.800 7.610 0.190 RESID 191 (C): N 120.152 120.152 119.259 0.893 RESID 191 (C): C 175.831 175.831 176.562 -0.731 RESID 191 (C): CA 60.293 60.293 64.345 -4.052 RESID 191 (C): CB 41.566 41.566 27.541 14.025 RESID 191 (C): H 7.784 7.784 8.003 -0.219 RESID 192 (A): N 121.963 121.963 122.082 -0.119 RESID 192 (A): C 178.395 178.395 179.312 -0.917 RESID 192 (A): CA 55.280 55.280 55.248 0.032 RESID 192 (A): CB 18.008 18.008 18.147 -0.139 RESID 192 (A): H 8.141 8.141 8.676 -0.535 RESID 193 (E): N 114.548 114.548 119.330 -4.782 RESID 193 (E): C 176.764 176.764 178.743 -1.979 RESID 193 (E): CA 58.262 58.262 59.329 -1.067 RESID 193 (E): CB 29.342 29.342 29.285 0.057 RESID 193 (E): H 7.595 7.595 8.349 -0.754 RESID 194 (L): N 117.659 117.659 120.411 -2.752 RESID 194 (L): C 176.904 176.904 178.629 -1.725 RESID 194 (L): CA 55.695 55.695 58.133 -2.438 RESID 194 (L): CB 41.655 41.655 41.725 -0.070 RESID 194 (L): H 7.459 7.459 7.934 -0.475 RESID 195 (V): N 117.842 117.842 115.568 2.274 RESID 195 (V): C 177.150 177.150 178.104 -0.954 RESID 195 (V): CA 64.054 64.054 66.296 -2.242 RESID 195 (V): CB 31.079 31.079 30.488 0.591 RESID 195 (V): H 7.363 7.363 7.406 -0.043 RESID 196 (T): N 122.439 122.439 117.938 4.501 RESID 196 (T): C 175.055 175.055 176.715 -1.660 RESID 196 (T): CA 65.500 65.500 66.728 -1.228 RESID 196 (T): CB 69.490 69.490 68.868 0.622 RESID 196 (T): H 7.940 7.940 7.769 0.171 RESID 197 (Y): N 122.430 122.430 122.015 0.415 RESID 197 (Y): C 177.152 177.152 177.145 0.007 RESID 197 (Y): CA 61.892 61.892 61.362 0.530 RESID 197 (Y): CB 38.085 38.085 38.474 -0.390 RESID 197 (Y): H 9.123 9.123 8.848 0.275 RESID 198 (D): N 117.750 117.750 119.006 -1.256 RESID 198 (D): C 177.696 177.696 178.300 -0.604 RESID 198 (D): CA 57.822 57.822 57.551 0.271 RESID 198 (D): CB 40.500 40.500 40.679 -0.179 RESID 198 (D): H 8.263 8.263 7.828 0.435 RESID 199 (L): N 120.698 120.698 118.525 2.173 RESID 199 (L): C 180.104 180.104 178.866 1.238 RESID 199 (L): CA 58.092 58.092 57.741 0.351 RESID 199 (L): CB 42.559 42.559 41.382 1.177 RESID 199 (L): H 7.636 7.636 7.438 0.198 RESID 200 (I): N 121.136 121.136 118.539 2.597 RESID 200 (I): C 176.919 176.919 178.229 -1.310 RESID 200 (I): CA 65.482 65.482 63.277 2.205 RESID 200 (I): CB 37.949 37.949 36.346 1.603 RESID 200 (I): H 7.718 7.718 7.323 0.395 RESID 201 (K): N 120.587 120.587 118.827 1.760 RESID 201 (K): C 177.696 177.696 178.447 -0.751 RESID 201 (K): CA 60.683 60.683 58.726 1.957 RESID 201 (K): CB 31.809 31.809 32.047 -0.239 RESID 201 (K): H 8.291 8.291 7.577 0.714 RESID 202 (D): N 117.936 117.936 116.563 1.373 RESID 202 (D): C 178.395 178.395 176.780 1.615 RESID 202 (D): CA 57.672 57.672 55.962 1.710 RESID 202 (D): CB 41.355 41.355 41.207 0.148 RESID 202 (D): H 8.182 8.182 7.601 0.581 RESID 203 (T): N 115.914 115.914 114.153 1.761 RESID 203 (T): CA 61.190 61.190 62.209 -1.019 RESID 203 (T): CB 68.738 68.738 69.368 -0.630 RESID 203 (T): H 7.690 7.690 7.429 0.261 RESID 204 (L): C 176.047 176.047 175.986 0.061 RESID 204 (L): H 8.051 8.051 8.753 -0.702 RESID 205 (L): N 118.768 118.768 117.198 1.570 RESID 205 (L): C 179.871 179.871 177.096 2.775 RESID 205 (L): CA 55.867 55.867 54.145 1.722 RESID 205 (L): CB 41.887 41.887 41.901 -0.014 RESID 205 (L): H 7.977 7.977 7.693 0.284 RESID 206 (K): N 119.775 119.775 119.837 -0.062 RESID 206 (K): C 177.318 177.318 176.887 0.431 RESID 206 (K): CA 58.461 58.461 57.974 0.487 RESID 206 (K): CB 32.734 32.734 32.564 0.170 RESID 206 (K): H 7.677 7.677 8.074 -0.397 RESID 207 (A): N 120.757 120.757 119.855 0.902 RESID 207 (A): C 176.531 176.531 176.467 0.064 RESID 207 (A): CA 53.083 53.083 52.159 0.924 RESID 207 (A): CB 18.960 18.960 18.613 0.347 RESID 207 (A): H 7.565 7.565 7.559 0.006 RESID 208 (N): N 115.463 115.463 116.607 -1.144 RESID 208 (N): C 174.822 174.822 175.183 -0.361 RESID 208 (N): CA 54.351 54.351 54.157 0.194 RESID 208 (N): CB 38.160 38.160 37.805 0.355 RESID 208 (N): H 7.936 7.936 8.209 -0.273 RESID 212 (D): C 174.735 174.735 175.102 -0.367 RESID 213 (D): N 116.363 116.363 120.624 -4.261 RESID 213 (D): C 175.553 175.553 177.179 -1.626 RESID 213 (D): CA 54.890 54.890 54.517 0.373 RESID 213 (D): CB 38.846 38.846 39.892 -1.046 RESID 213 (D): H 8.129 8.129 8.402 -0.273 RESID 214 (L): N 119.486 119.486 120.410 -0.924 RESID 214 (L): CA 59.766 59.766 58.760 1.006 RESID 214 (L): CB 39.579 39.579 39.391 0.188 RESID 214 (L): H 7.821 7.821 8.446 -0.625 RESID 215 (P): C 177.971 177.971 179.209 -1.238 RESID 215 (P): CA 65.938 65.938 65.607 0.331 RESID 215 (P): CB 30.006 30.006 31.140 -1.133 RESID 216 (C): N 114.211 114.211 116.255 -2.044 RESID 216 (C): C 176.142 176.142 177.082 -0.940 RESID 216 (C): CA 58.773 58.773 62.302 -3.529 RESID 216 (C): CB 40.906 40.906 27.084 13.822 RESID 216 (C): H 8.269 8.269 8.327 -0.058 RESID 217 (H): N 120.491 120.491 120.842 -0.351 RESID 217 (H): C 176.747 176.747 177.348 -0.601 RESID 217 (H): CA 57.198 57.198 58.381 -1.183 RESID 217 (H): CB 29.886 29.886 29.375 0.510 RESID 217 (H): H 7.301 7.301 7.753 -0.452 RESID 218 (F): N 120.501 120.501 119.405 1.096 RESID 218 (F): C 176.187 176.187 177.120 -0.933 RESID 218 (F): CA 59.045 59.045 61.714 -2.669 RESID 218 (F): CB 38.901 38.901 38.947 -0.046 RESID 218 (F): H 8.127 8.127 8.122 0.005 RESID 219 (T): N 112.682 112.682 112.573 0.109 RESID 219 (T): C 175.997 175.997 176.736 -0.739 RESID 219 (T): CA 64.319 64.319 66.339 -2.020 RESID 219 (T): CB 63.282 63.282 68.269 -4.987 RESID 219 (T): H 7.977 7.977 7.934 0.043 RESID 220 (S): N 117.589 117.589 118.173 -0.584 RESID 220 (S): C 175.055 175.055 176.558 -1.503 RESID 220 (S): CA 61.344 61.344 61.550 -0.206 RESID 220 (S): CB 63.440 63.440 62.852 0.588 RESID 220 (S): H 8.004 8.004 7.736 0.268 RESID 221 (A): N 123.860 123.860 124.166 -0.306 RESID 221 (A): C 177.618 177.618 179.086 -1.468 RESID 221 (A): CA 53.932 53.932 54.771 -0.839 RESID 221 (A): CB 18.891 18.891 18.293 0.599 RESID 221 (A): H 7.704 7.704 7.584 0.120 RESID 222 (F): N 116.073 116.073 119.965 -3.892 RESID 222 (F): C 176.142 176.142 177.588 -1.446 RESID 222 (F): CA 58.271 58.271 61.554 -3.283 RESID 222 (F): CB 39.554 39.554 38.942 0.612 RESID 222 (F): H 7.718 7.718 8.019 -0.301 RESID 223 (G): N 108.578 108.578 106.189 2.389 RESID 223 (G): C 173.889 173.889 175.536 -1.647 RESID 223 (G): CA 45.993 45.993 47.070 -1.077 RESID 223 (G): H 7.909 7.909 8.074 -0.165 RESID 224 (A): N 123.322 123.322 124.379 -1.057 RESID 224 (A): C 178.550 178.550 179.736 -1.186 RESID 224 (A): CA 53.608 53.608 54.687 -1.079 RESID 224 (A): CB 19.069 19.069 18.286 0.783 RESID 224 (A): H 8.018 8.018 7.867 0.151 RESID 225 (G): N 107.935 107.935 107.562 0.373 RESID 225 (G): C 175.389 175.389 175.858 -0.469 RESID 225 (G): CA 46.967 46.967 46.858 0.109 RESID 225 (G): H 8.304 8.304 8.535 -0.231 RESID 226 (F): N 122.440 122.440 122.030 0.410 RESID 226 (F): C 176.998 176.998 177.910 -0.912 RESID 226 (F): CA 60.673 60.673 60.952 -0.279 RESID 226 (F): CB 38.319 38.319 38.904 -0.585 RESID 226 (F): H 8.045 8.045 7.799 0.246 RESID 227 (C): N 116.562 116.562 117.767 -1.205 RESID 227 (C): CA 61.301 61.301 63.512 -2.211 RESID 227 (C): CB 41.286 41.286 27.547 13.739 RESID 227 (C): H 8.016 8.016 7.609 0.407 RESID 228 (T): C 176.437 176.437 176.165 0.272 RESID 228 (T): H 8.410 8.410 8.493 -0.083 RESID 229 (T): N 115.234 115.234 116.952 -1.718 RESID 229 (T): C 176.749 176.749 176.525 0.224 RESID 229 (T): CA 65.980 65.980 66.051 -0.071 RESID 229 (T): CB 67.443 67.443 67.807 -0.364 RESID 229 (T): H 8.188 8.188 8.200 -0.012 RESID 230 (V): N 120.723 120.723 122.428 -1.705 RESID 230 (V): C 177.983 177.983 178.689 -0.706 RESID 230 (V): CA 66.832 66.832 65.876 0.955 RESID 230 (V): CB 31.168 31.168 31.577 -0.409 RESID 230 (V): H 8.027 8.027 7.380 0.647 RESID 231 (I): N 120.541 120.541 120.239 0.302 RESID 231 (I): C 177.368 177.368 177.511 -0.143 RESID 231 (I): CA 65.575 65.575 63.469 2.106 RESID 231 (I): CB 37.722 37.722 37.062 0.660 RESID 231 (I): H 8.458 8.458 7.281 1.177 RESID 232 (A): N 122.766 122.766 121.585 1.181 RESID 232 (A): C 178.847 178.847 179.500 -0.653 RESID 232 (A): CA 55.252 55.252 55.334 -0.082 RESID 232 (A): CB 17.874 17.874 18.378 -0.504 RESID 232 (A): H 8.589 8.589 8.366 0.223 RESID 233 (S): N 113.387 113.387 114.563 -1.176 RESID 233 (S): CA 62.348 62.348 63.077 -0.729 RESID 233 (S): CB 61.630 61.630 60.838 0.792 RESID 233 (S): H 8.218 8.218 8.504 -0.286 RESID 234 (P): C 178.221 178.221 178.544 -0.323 RESID 235 (V): N 116.087 116.087 114.791 1.296 RESID 235 (V): C 177.089 177.089 177.774 -0.685 RESID 235 (V): CA 65.072 65.072 65.417 -0.345 RESID 235 (V): CB 31.084 31.084 31.323 -0.239 RESID 235 (V): H 8.142 8.142 7.386 0.756 RESID 236 (D): N 121.556 121.556 120.020 1.536 RESID 236 (D): C 177.422 177.422 178.320 -0.898 RESID 236 (D): CA 57.135 57.135 56.712 0.422 RESID 236 (D): CB 40.065 40.065 40.640 -0.575 RESID 236 (D): H 7.932 7.932 7.636 0.296 RESID 237 (V): N 117.233 117.233 120.655 -3.422 RESID 237 (V): CA 64.977 64.977 65.554 -0.577 RESID 237 (V): CB 31.013 31.013 31.429 -0.416 RESID 237 (V): H 7.710 7.710 7.699 0.011 RESID 238 (V): C 177.584 177.584 176.654 0.930 RESID 238 (V): H 7.607 7.607 7.496 0.111 RESID 239 (K): N 120.095 120.095 116.705 3.390 RESID 239 (K): C 178.678 178.678 178.020 0.658 RESID 239 (K): CA 58.483 58.483 59.063 -0.580 RESID 239 (K): CB 31.863 31.863 32.573 -0.710 RESID 239 (K): H 7.761 7.761 7.533 0.228 RESID 240 (T): N 115.247 115.247 109.583 5.664 RESID 240 (T): C 175.093 175.093 176.115 -1.022 RESID 240 (T): CA 66.458 66.458 63.530 2.928 RESID 240 (T): CB 68.011 68.011 69.235 -1.224 RESID 240 (T): H 7.761 7.761 7.601 0.160 RESID 241 (R): N 119.633 119.633 123.154 -3.521 RESID 241 (R): CA 57.133 57.133 57.980 -0.848 RESID 241 (R): CB 31.218 31.218 30.371 0.847 RESID 241 (R): H 7.383 7.383 8.008 -0.625 RESID 242 (Y): C 174.956 174.956 174.747 0.209 RESID 242 (Y): H 8.699 8.699 8.374 0.325 RESID 243 (M): N 118.458 118.458 123.558 -5.100 RESID 243 (M): C 175.676 175.676 174.746 0.930 RESID 243 (M): CA 54.417 54.417 54.781 -0.364 RESID 243 (M): H 7.442 7.442 8.119 -0.677 RESID 244 (N): N 116.369 116.369 122.394 -6.025 RESID 244 (N): C 174.919 174.919 174.418 0.501 RESID 244 (N): CA 59.470 59.470 53.261 6.209 RESID 244 (N): CB 39.079 39.079 40.131 -1.052 RESID 244 (N): H 7.772 7.772 8.243 -0.471 RESID 245 (S): N 114.568 114.568 119.708 -5.140 RESID 245 (S): C 175.695 175.695 173.504 2.191 RESID 245 (S): CA 53.852 53.852 58.589 -4.737 RESID 245 (S): CB 61.232 61.232 63.040 -1.808 RESID 245 (S): H 8.475 8.475 8.092 0.383 RESID 246 (A): N 127.283 127.283 123.190 4.093 RESID 246 (A): C 177.128 177.128 176.871 0.257 RESID 246 (A): CA 56.803 56.803 51.913 4.889 RESID 246 (A): CB 18.901 18.901 19.624 -0.723 RESID 246 (A): H 7.929 7.929 8.033 -0.104 RESID 247 (L): N 118.112 118.112 121.945 -3.833 RESID 247 (L): C 176.723 176.723 176.826 -0.103 RESID 247 (L): CA 54.156 54.156 54.876 -0.720 RESID 247 (L): CB 41.215 41.215 41.817 -0.602 RESID 247 (L): H 7.922 7.922 7.996 -0.074 RESID 248 (G): N 107.203 107.203 109.372 -2.169 RESID 248 (G): CA 44.558 44.558 44.403 0.155 RESID 248 (G): H 8.318 8.318 8.294 0.024 RESID 250 (Y): C 175.942 175.942 175.199 0.743 RESID 250 (Y): H 8.134 8.134 8.662 -0.528 RESID 251 (H): N 123.281 123.281 117.848 5.433 RESID 251 (H): C 174.531 174.531 174.531 0.000 RESID 251 (H): CA 58.931 58.931 58.266 0.665 RESID 251 (H): CB 29.525 29.525 30.698 -1.173 RESID 251 (H): H 8.184 8.184 8.506 -0.322 RESID 252 (S): N 110.038 110.038 109.414 0.624 RESID 252 (S): C 174.429 174.429 174.068 0.361 RESID 252 (S): CA 57.452 57.452 57.483 -0.032 RESID 252 (S): CB 65.022 65.022 65.643 -0.621 RESID 252 (S): H 8.010 8.010 7.793 0.217 RESID 253 (A): N 123.034 123.034 124.408 -1.374 RESID 253 (A): C 179.249 179.249 179.960 -0.711 RESID 253 (A): CA 54.981 54.981 54.632 0.349 RESID 253 (A): CB 19.069 19.069 18.691 0.379 RESID 253 (A): H 8.034 8.034 8.596 -0.562 RESID 254 (G): N 106.379 106.379 106.217 0.162 RESID 254 (G): C 174.433 174.433 175.682 -1.249 RESID 254 (G): CA 47.615 47.615 46.911 0.704 RESID 254 (G): H 8.427 8.427 8.699 -0.272 RESID 255 (H): N 121.119 121.119 121.359 -0.240 RESID 255 (H): C 178.084 178.084 176.775 1.309 RESID 255 (H): CA 60.144 60.144 58.964 1.181 RESID 255 (H): CB 33.073 33.073 29.911 3.162 RESID 255 (H): H 8.304 8.304 7.907 0.397 RESID 256 (C): N 117.946 117.946 118.721 -0.775 RESID 256 (C): C 175.453 175.453 176.874 -1.421 RESID 256 (C): CA 58.668 58.668 62.409 -3.741 RESID 256 (C): CB 41.434 41.434 26.355 15.079 RESID 256 (C): H 8.168 8.168 7.796 0.372 RESID 257 (A): N 123.138 123.138 123.516 -0.378 RESID 257 (A): C 179.489 179.489 179.492 -0.003 RESID 257 (A): CA 54.589 54.589 55.134 -0.545 RESID 257 (A): CB 17.675 17.675 18.226 -0.551 RESID 257 (A): H 7.932 7.932 7.385 0.547 RESID 258 (L): N 119.779 119.779 118.352 1.427 RESID 258 (L): C 178.234 178.234 179.198 -0.964 RESID 258 (L): CA 56.967 56.967 58.025 -1.058 RESID 258 (L): CB 41.067 41.067 41.326 -0.259 RESID 258 (L): H 7.681 7.681 7.707 -0.026 RESID 259 (T): N 114.552 114.552 113.552 1.000 RESID 259 (T): C 176.244 176.244 176.553 -0.309 RESID 259 (T): CA 66.511 66.511 65.602 0.909 RESID 259 (T): CB 67.274 67.274 68.213 -0.939 RESID 259 (T): H 7.855 7.855 8.294 -0.439 RESID 260 (M): N 118.862 118.862 122.336 -3.474 RESID 260 (M): C 177.094 177.094 177.729 -0.635 RESID 260 (M): CA 58.532 58.532 59.094 -0.562 RESID 260 (M): CB 32.288 32.288 32.626 -0.338 RESID 260 (M): H 8.296 8.296 8.288 0.008 RESID 261 (L): N 116.839 116.839 118.642 -1.803 RESID 261 (L): C 178.162 178.162 179.372 -1.210 RESID 261 (L): CA 58.167 58.167 57.419 0.748 RESID 261 (L): CB 42.202 42.202 41.436 0.766 RESID 261 (L): H 8.053 8.053 7.524 0.529 RESID 262 (R): N 116.821 116.821 117.492 -0.671 RESID 262 (R): CA 58.761 58.761 57.737 1.024 RESID 262 (R): CB 30.825 30.825 31.142 -0.317 RESID 262 (R): H 7.827 7.827 7.767 0.060 RESID 266 (P): C 177.152 177.152 178.239 -1.087 RESID 266 (P): CA 65.152 65.152 63.908 1.244 RESID 267 (R): N 117.739 117.739 118.786 -1.047 RESID 267 (R): C 177.463 177.463 177.880 -0.417 RESID 267 (R): CA 59.335 59.335 58.890 0.445 RESID 267 (R): CB 30.185 30.185 29.531 0.654 RESID 267 (R): H 8.072 8.072 7.997 0.075 RESID 268 (A): N 121.709 121.709 121.817 -0.108 RESID 268 (A): C 179.251 179.251 178.036 1.215 RESID 268 (A): CA 54.631 54.631 54.757 -0.126 RESID 268 (A): CB 18.683 18.683 18.574 0.109 RESID 268 (A): H 7.963 7.963 7.668 0.295 RESID 269 (F): N 117.096 117.096 117.655 -0.559 RESID 269 (F): C 175.987 175.987 176.827 -0.840 RESID 269 (F): CA 61.037 61.037 61.018 0.019 RESID 269 (F): CB 38.637 38.637 39.049 -0.412 RESID 269 (F): H 7.832 7.832 7.638 0.194 RESID 270 (Y): N 118.496 118.496 118.664 -0.168 RESID 270 (Y): C 176.250 176.250 175.171 1.079 RESID 270 (Y): CA 60.116 60.116 60.038 0.078 RESID 270 (Y): CB 38.882 38.882 39.159 -0.277 RESID 270 (Y): H 7.813 7.813 7.460 0.353 RESID 271 (K): N 119.458 119.458 119.708 -0.250 RESID 271 (K): C 177.696 177.696 175.626 2.070 RESID 271 (K): CA 57.192 57.192 56.000 1.192 RESID 271 (K): CB 32.734 32.734 33.984 -1.250 RESID 271 (K): H 7.864 7.864 7.809 0.055 RESID 272 (G): N 106.217 106.217 113.549 -7.332 RESID 272 (G): C 173.967 173.967 173.414 0.553 RESID 272 (G): CA 46.117 46.117 45.028 1.089 RESID 272 (G): H 7.622 7.622 8.890 -1.268 RESID 273 (F): N 118.847 118.847 115.927 2.920 RESID 273 (F): C 175.055 175.055 174.623 0.432 RESID 273 (F): CA 57.721 57.721 54.644 3.077 RESID 273 (F): CB 40.183 40.183 38.477 1.706 RESID 273 (F): H 7.677 7.677 7.625 0.052 RESID 277 (F): C 176.602 176.602 176.959 -0.357 RESID 277 (F): CA 61.838 61.838 61.356 0.482 RESID 277 (F): CB 39.537 39.537 39.150 0.387 RESID 277 (F): H 7.695 7.695 7.848 -0.153 RESID 278 (L): N 118.465 118.465 118.644 -0.179 RESID 278 (L): C 177.152 177.152 179.223 -2.071 RESID 278 (L): CA 56.115 56.115 58.085 -1.970 RESID 278 (L): CB 42.398 42.398 40.888 1.510 RESID 278 (L): H 8.104 8.104 7.597 0.507 RESID 279 (R): N 118.749 118.749 118.896 -0.147 RESID 279 (R): C 176.608 176.608 179.114 -2.506 RESID 279 (R): CA 56.938 56.938 59.419 -2.481 RESID 279 (R): CB 30.659 30.659 30.002 0.657 RESID 279 (R): H 7.472 7.472 7.849 -0.377 RESID 280 (L): N 120.305 120.305 120.730 -0.425 RESID 280 (L): C 177.540 177.540 178.632 -1.092 RESID 280 (L): CA 57.094 57.094 57.967 -0.873 RESID 280 (L): CB 42.027 42.027 41.451 0.576 RESID 280 (L): H 7.690 7.690 8.358 -0.668 RESID 281 (G): N 106.837 106.837 105.693 1.144 RESID 281 (G): C 174.045 174.045 175.807 -1.762 RESID 281 (G): CA 46.967 46.967 47.312 -0.345 RESID 281 (G): H 7.881 7.881 7.708 0.173 RESID 282 (S): N 115.531 115.531 118.141 -2.610 RESID 282 (S): C 174.123 174.123 176.518 -2.395 RESID 282 (S): CA 58.796 58.796 61.030 -2.234 RESID 282 (S): CB 58.975 58.975 63.189 -4.214 RESID 282 (S): H 7.813 7.813 7.539 0.274 RESID 283 (W): N 122.851 122.851 124.072 -1.221 RESID 283 (W): C 176.142 176.142 177.571 -1.429 RESID 283 (W): CA 59.221 59.221 62.037 -2.816 RESID 283 (W): CB 30.446 30.446 29.641 0.805 RESID 283 (W): H 8.186 8.186 8.488 -0.302 RESID 284 (N): N 118.459 118.459 117.887 0.572 RESID 284 (N): CA 55.325 55.325 56.029 -0.704 RESID 284 (N): CB 39.504 39.504 38.242 1.262 RESID 284 (N): H 8.127 8.127 8.019 0.108 RESID 285 (V): C 177.263 177.263 176.770 0.493 RESID 285 (V): H 7.854 7.854 7.402 0.452 RESID 286 (V): N 119.883 119.883 119.014 0.869 RESID 286 (V): C 177.072 177.072 177.628 -0.556 RESID 286 (V): CA 64.717 64.717 66.250 -1.533 RESID 286 (V): CB 29.553 29.553 31.479 -1.926 RESID 286 (V): H 7.483 7.483 7.133 0.350 RESID 287 (M): N 120.401 120.401 119.333 1.068 RESID 287 (M): C 177.594 177.594 177.679 -0.085 RESID 287 (M): CA 57.654 57.654 57.624 0.030 RESID 287 (M): CB 31.592 31.592 31.792 -0.200 RESID 287 (M): H 8.118 8.118 7.140 0.978 RESID 288 (F): N 122.234 122.234 120.372 1.862 RESID 288 (F): C 176.498 176.498 177.557 -1.059 RESID 288 (F): CA 61.766 61.766 61.531 0.235 RESID 288 (F): CB 39.031 39.031 39.048 -0.017 RESID 288 (F): H 7.878 7.878 7.890 -0.012 RESID 289 (V): N 118.907 118.907 119.021 -0.114 RESID 289 (V): CA 64.566 64.566 65.993 -1.427 RESID 289 (V): CB 30.544 30.544 31.514 -0.970 RESID 289 (V): H 7.913 7.913 7.668 0.245 RESID 290 (T): C 175.376 175.376 176.470 -1.094 RESID 290 (T): H 8.095 8.095 7.596 0.499 RESID 291 (Y): N 118.029 118.029 120.034 -2.005 RESID 291 (Y): C 176.919 176.919 177.430 -0.511 RESID 291 (Y): CA 61.717 61.717 61.802 -0.085 RESID 291 (Y): CB 38.020 38.020 37.940 0.080 RESID 291 (Y): H 7.986 7.986 7.571 0.415 RESID 292 (E): N 118.005 118.005 119.099 -1.094 RESID 292 (E): C 176.686 176.686 178.524 -1.838 RESID 292 (E): CA 60.084 60.084 59.535 0.549 RESID 292 (E): CB 29.443 29.443 28.793 0.651 RESID 292 (E): H 8.359 8.359 7.909 0.450 RESID 293 (Q): N 118.746 118.746 119.944 -1.198 RESID 293 (Q): C 176.210 176.210 178.128 -1.918 RESID 293 (Q): CA 58.986 58.986 58.477 0.509 RESID 293 (Q): CB 28.784 28.784 28.613 0.171 RESID 293 (Q): H 7.704 7.704 7.390 0.314 RESID 294 (L): N 120.970 120.970 118.902 2.068 RESID 294 (L): C 178.084 178.084 178.572 -0.488 RESID 294 (L): CA 58.741 58.741 57.444 1.298 RESID 294 (L): CB 41.451 41.451 41.701 -0.250 RESID 294 (L): H 7.995 7.995 7.476 0.519 RESID 295 (K): N 117.756 117.756 117.265 0.491 RESID 295 (K): CA 59.048 59.048 57.473 1.575 RESID 295 (K): CB 31.871 31.871 33.171 -1.300 RESID 295 (K): H 7.731 7.731 7.848 -0.117 RESID 296 (R): H 7.895 7.895 8.017 -0.122 RESID 297 (A): C 176.488 176.488 176.202 0.286 RESID 297 (A): H 8.223 8.223 8.315 -0.092 RESID 298 (L): N 117.376 117.376 121.318 -3.942 RESID 298 (L): C 178.628 178.628 176.880 1.748 RESID 298 (L): CA 58.217 58.217 55.469 2.748 RESID 298 (L): CB 41.905 41.905 41.829 0.076 RESID 298 (L): H 7.947 7.947 8.274 -0.327 RESID 299 (M): N 127.376 127.376 128.670 -1.294 RESID 299 (M): C 178.472 178.472 174.845 3.627 RESID 299 (M): CA 58.461 58.461 55.072 3.389 RESID 299 (M): CB 32.110 32.110 31.674 0.437 RESID 299 (M): H 8.182 8.182 8.822 -0.640 RESID 300 (A): N 121.854 121.854 124.306 -2.452 RESID 300 (A): C 180.197 180.197 175.953 4.244 RESID 300 (A): CA 55.617 55.617 52.373 3.244 RESID 300 (A): CB 18.215 18.215 19.948 -1.733 RESID 300 (A): H 7.841 7.841 7.720 0.121 RESID 301 (A): N 121.224 121.224 128.009 -6.785 RESID 301 (A): C 178.939 178.939 178.103 0.836 RESID 301 (A): CA 55.186 55.186 54.513 0.673 RESID 301 (A): CB 18.735 18.735 18.877 -0.142 RESID 301 (A): H 7.872 7.872 8.694 -0.822 RESID 302 (Y): N 118.183 118.183 119.728 -1.545 RESID 302 (Y): C 176.841 176.841 177.650 -0.809 RESID 302 (Y): CA 60.868 60.868 61.768 -0.900 RESID 302 (Y): CB 39.344 39.344 37.866 1.478 RESID 302 (Y): H 8.100 8.100 8.566 -0.466 RESID 303 (Q): N 117.243 117.243 117.003 0.240 RESID 303 (Q): C 176.997 176.997 178.839 -1.842 RESID 303 (Q): CA 58.787 58.787 59.291 -0.504 RESID 303 (Q): CB 29.216 29.216 27.996 1.220 RESID 303 (Q): H 8.059 8.059 8.646 -0.587 RESID 304 (S): N 114.721 114.721 115.100 -0.379 RESID 304 (S): C 174.511 174.511 175.896 -1.385 RESID 304 (S): CA 59.720 59.720 61.162 -1.442 RESID 304 (S): CB 63.896 63.896 63.053 0.843 RESID 304 (S): H 7.718 7.718 7.828 -0.110 RESID 305 (R): N 121.401 121.401 119.611 1.790 RESID 305 (R): C 175.521 175.521 177.609 -2.088 RESID 305 (R): CA 59.639 59.639 58.086 1.553 RESID 305 (R): CB 30.568 30.568 30.147 0.421 RESID 305 (R): H 7.609 7.609 7.982 -0.373 RESID 306 (E): N 120.090 120.090 117.993 2.097 RESID 306 (E): C 177.648 177.648 178.827 -1.179 RESID 306 (E): CA 59.624 59.624 58.564 1.060 RESID 306 (E): CB 30.362 30.362 29.537 0.825 RESID 306 (E): H 7.909 7.909 7.709 0.200 RESID 307 (A): N 121.234 121.234 124.422 -3.188 RESID 307 (A): C 176.014 176.014 177.023 -1.009 RESID 307 (A): CA 56.844 56.844 55.512 1.332 RESID 307 (A): CB 17.735 17.735 16.886 0.849 RESID 307 (A): H 7.760 7.760 7.612 0.148 N HA C CA CB H RESID 16 (K): 0.424 ----- -1.612 0.717 0.196 -0.603 RESID 17 (F): -2.050 ----- -1.905 -0.920 0.757 -0.280 RESID 18 (L): 0.963 ----- -2.023 -1.513 2.308 -0.182 RESID 19 (G): 0.222 ----- -0.708 -1.665 ----- -0.420 RESID 20 (A): 0.489 ----- 0.300 0.126 0.695 0.288 RESID 21 (G): 0.997 ----- -0.454 -0.559 ----- 0.293 RESID 22 (T): 4.761 ----- -0.576 1.659 -0.022 -0.434 RESID 23 (A): -1.189 ----- -0.293 0.562 0.042 0.815 RESID 24 (A): -0.975 ----- 0.143 -0.126 0.017 -0.477 RESID 25 (C): 0.194 ----- -0.324 -3.365 14.421 0.299 RESID 26 (I): -2.360 ----- -0.203 0.937 0.271 0.398 RESID 27 (A): -0.889 ----- 0.118 0.424 -0.216 0.172 RESID 28 (D): -0.458 ----- -0.764 -1.094 0.079 0.007 RESID 29 (L): 0.347 ----- -0.363 -1.189 1.672 0.396 RESID 30 (I): -2.753 ----- 0.550 -1.958 0.583 0.191 RESID 31 (T): 2.839 ----- -1.901 -0.140 -0.425 0.609 RESID 32 (F): -1.253 ----- ----- -5.050 1.685 -0.782 RESID 33 (P): ----- ----- 0.319 -2.014 3.710 ----- RESID 34 (L): 5.818 ----- -2.512 -2.062 2.288 1.451 RESID 35 (D): 2.597 ----- -1.317 -3.041 0.840 0.651 RESID 36 (T): 1.149 ----- 1.116 -1.272 0.547 0.322 RESID 37 (A): 1.974 ----- -0.146 -0.036 0.421 0.431 RESID 38 (K): -0.880 ----- -0.203 -0.147 0.615 0.164 RESID 39 (V): 0.947 ----- -0.034 0.139 3.030 0.152 RESID 40 (R): 1.485 ----- -0.468 1.569 0.005 0.378 RESID 41 (L): -1.662 ----- ----- -0.259 1.419 0.041 RESID 49 (G): ----- ----- -0.634 ----- ----- ----- RESID 50 (L): 1.062 ----- 0.056 -0.247 0.144 0.528 RESID 51 (V): 1.452 ----- 0.959 -0.417 -0.768 0.482 RESID 52 (R): 6.426 ----- ----- 0.970 -0.118 -0.109 RESID 53 (T): ----- ----- -0.045 ----- ----- 0.529 RESID 54 (A): -2.612 ----- -1.361 -1.064 -0.506 0.164 RESID 55 (A): -13.214 ----- 0.502 0.096 -0.738 -1.231 RESID 56 (S): 11.297 ----- 1.381 2.775 -0.285 0.137 RESID 57 (A): -2.254 ----- ----- 0.152 -0.172 0.524 RESID 59 (Y): ----- ----- 0.403 ----- ----- ----- RESID 60 (R): 2.203 ----- 0.084 0.731 0.661 -0.358 RESID 61 (G): -0.412 ----- 1.165 1.495 ----- -0.108 RESID 62 (V): -2.664 ----- 0.347 1.782 0.241 -0.381 RESID 63 (L): 0.254 ----- -0.266 0.860 1.250 -0.117 RESID 64 (G): 0.507 ----- 0.211 0.549 ----- 0.286 RESID 65 (T): 1.917 ----- 0.108 0.412 0.593 0.420 RESID 66 (I): 0.642 ----- 0.070 1.374 0.104 0.609 RESID 67 (L): 0.480 ----- -0.088 0.511 0.649 0.716 RESID 68 (T): 0.202 ----- 0.105 0.515 0.699 0.761 RESID 69 (M): 2.506 ----- -0.880 1.577 1.079 0.318 RESID 70 (V): 0.709 ----- -0.698 1.125 -0.276 0.263 RESID 71 (R): -0.328 ----- -1.049 0.741 0.502 0.271 RESID 72 (T): -3.053 ----- -0.384 -1.278 1.191 0.020 RESID 73 (E): 2.467 ----- 1.585 0.532 -1.143 0.193 RESID 74 (G): 1.648 ----- ----- 0.806 ----- 0.395 RESID 75 (P): ----- ----- -1.466 1.152 0.030 ----- RESID 76 (R): 2.277 ----- 0.414 1.143 0.213 -0.034 RESID 77 (S): 1.154 ----- 1.786 0.296 -0.341 -0.193 RESID 78 (L): 1.968 ----- -0.397 0.925 0.308 0.179 RESID 79 (Y): 4.164 ----- -0.262 1.994 0.743 0.647 RESID 80 (N): -0.783 ----- 3.102 0.189 0.173 0.716 RESID 81 (G): 2.712 ----- 0.732 0.707 ----- 0.265 RESID 82 (L): 1.677 ----- 0.509 0.783 0.440 0.238 RESID 83 (V): -0.560 ----- 0.925 -0.684 0.582 -0.204 RESID 84 (A): -0.229 ----- 0.874 0.412 -0.095 0.416 RESID 85 (G): -0.761 ----- -0.490 0.639 ----- 0.375 RESID 86 (L): 0.197 ----- -0.646 -0.084 0.447 0.691 RESID 87 (Q): 0.771 ----- -0.767 -0.875 0.987 0.157 RESID 88 (R): -2.536 ----- -0.784 -1.698 0.853 0.243 RESID 89 (Q): 0.385 ----- -0.981 -0.939 0.689 0.312 RESID 90 (M): -1.615 ----- -1.803 -2.639 0.608 -0.458 RESID 91 (S): 0.033 ----- -0.662 -2.216 1.321 -0.020 RESID 92 (F): -1.087 ----- 0.662 -2.587 -0.213 0.770 RESID 93 (A): 3.824 ----- -0.062 0.257 -0.395 0.492 RESID 94 (S): -1.715 ----- -0.062 -0.503 0.042 0.377 RESID 95 (V): -1.058 ----- 0.164 0.234 0.032 -0.948 RESID 96 (R): 2.802 ----- -0.429 1.002 1.351 0.660 RESID 97 (I): 1.183 ----- 0.465 0.608 0.360 0.339 RESID 98 (G): 2.311 ----- 0.889 0.795 ----- 0.425 RESID 99 (L): 0.291 ----- -0.572 1.933 2.041 0.203 RESID 100 (Y): -0.802 ----- 0.014 -1.133 0.395 0.266 RESID 101 (D): 0.808 ----- 0.550 -0.048 0.304 -0.301 RESID 102 (S): 0.178 ----- -0.242 1.241 1.005 -0.005 RESID 103 (V): -1.166 ----- 0.609 1.405 0.037 0.390 RESID 104 (K): 1.144 ----- 0.353 0.725 0.280 0.273 RESID 105 (Q): 0.775 ----- -0.712 1.226 -0.105 0.307 RESID 106 (F): 0.705 ----- 1.239 0.657 0.299 0.301 RESID 107 (Y): 3.893 ----- -0.754 2.244 -0.712 0.825 RESID 108 (T): -0.301 ----- 1.254 1.591 1.186 -0.020 RESID 113 (H): ----- ----- -0.662 ----- ----- -0.648 RESID 114 (A): -1.784 ----- 1.491 0.954 -0.679 0.711 RESID 115 (G): 2.641 ----- -0.646 0.834 ----- -0.378 RESID 116 (I): -0.312 ----- -0.807 -0.895 1.294 -0.164 RESID 117 (G): 3.065 ----- -1.527 -0.519 ----- 0.051 RESID 118 (S): -3.063 ----- -1.259 -1.779 1.101 -0.170 RESID 119 (R): 0.703 ----- -0.580 -1.921 0.480 -0.536 RESID 120 (L): -0.919 ----- -1.805 -0.150 0.425 0.150 RESID 121 (L): -1.241 ----- -1.549 -2.479 0.471 -0.797 RESID 122 (A): 2.016 ----- -1.530 -2.263 1.106 -1.282 RESID 123 (G): 1.133 ----- 0.272 -1.297 ----- -0.805 RESID 124 (S): -1.620 ----- -1.372 -2.768 1.502 -0.634 RESID 125 (T): -1.185 ----- -0.638 0.781 0.640 -0.283 RESID 126 (T): -1.482 ----- 0.806 -1.631 -0.240 -0.359 RESID 127 (G): 7.118 ----- -0.915 -0.823 ----- 0.001 RESID 128 (A): -0.952 ----- -1.487 -1.335 0.546 0.397 RESID 129 (L): 1.328 ----- -1.027 -1.423 0.474 0.247 RESID 130 (A): 2.219 ----- -1.377 -1.715 0.684 -0.407 RESID 131 (V): -0.084 ----- -1.092 -1.845 1.953 -0.451 RESID 132 (A): 1.640 ----- 0.282 -0.804 0.525 0.456 RESID 133 (V): -5.596 ----- -0.810 0.823 -0.700 -0.460 RESID 134 (A): 2.099 ----- ----- 3.519 ----- 0.087 RESID 136 (P): ----- ----- -1.231 ----- ----- ----- RESID 137 (T): 5.008 ----- -2.532 -1.950 2.039 -0.381 RESID 138 (D): -0.249 ----- 0.269 -0.256 0.303 0.431 RESID 139 (V): 0.067 ----- -0.588 -0.024 1.334 -0.180 RESID 140 (V): 0.453 ----- -2.117 -0.207 1.143 0.158 RESID 141 (K): -0.182 ----- -3.029 -4.059 -0.657 0.082 RESID 142 (V): 3.033 ----- ----- -2.421 ----- 0.397 RESID 143 (R): ----- ----- 0.120 ----- ----- -0.092 RESID 144 (F): 0.896 ----- 1.360 0.382 ----- -0.208 RESID 145 (Q): 5.955 ----- -2.450 -1.495 1.434 0.295 RESID 146 (A): 0.097 ----- 0.133 0.208 -0.643 0.558 RESID 147 (Q): 1.304 ----- 1.060 -0.074 1.139 0.563 RESID 148 (A): -3.211 ----- -0.500 0.307 -0.242 -0.278 RESID 149 (R): -0.542 ----- ----- 1.177 1.133 -0.395 RESID 159 (T): ----- ----- -0.418 ----- ----- ----- RESID 160 (V): -2.115 ----- 0.061 -2.046 -0.299 0.136 RESID 161 (E): 2.561 ----- 0.552 0.499 0.311 -0.383 RESID 162 (A): -0.051 ----- 0.673 0.170 -0.431 -0.637 RESID 163 (Y): -0.908 ----- -0.280 -0.343 -0.750 0.073 RESID 164 (K): 1.555 ----- -0.786 0.899 -0.237 0.513 RESID 165 (T): 2.115 ----- -0.951 0.284 0.907 0.100 RESID 166 (I): 3.383 ----- 0.218 1.949 3.381 0.024 RESID 167 (A): -1.133 ----- -0.802 -0.212 0.344 0.243 RESID 168 (R): -1.828 ----- -0.933 -0.435 0.939 0.187 RESID 169 (E): 0.828 ----- -0.702 -0.287 0.144 0.378 RESID 170 (E): 1.272 ----- 1.142 0.608 0.616 -0.013 RESID 171 (G): 1.929 ----- -0.213 0.626 ----- 0.224 RESID 172 (I): 4.693 ----- -0.245 0.020 0.378 0.259 RESID 173 (R): -0.482 ----- -0.716 -0.105 0.422 -0.320 RESID 174 (G): -0.153 ----- -0.950 0.330 ----- -0.193 RESID 175 (L): -1.203 ----- -0.148 0.533 0.181 0.351 RESID 176 (W): -2.061 ----- 0.236 -1.439 0.336 -0.644 RESID 177 (K): 3.154 ----- -0.421 -1.795 0.812 0.206 RESID 178 (G): 5.629 ----- -1.380 0.766 ----- -0.050 RESID 179 (T): -1.316 ----- -1.011 0.976 2.711 0.152 RESID 180 (S): 0.616 ----- ----- 0.927 0.637 0.926 RESID 182 (N): ----- ----- 0.057 ----- ----- ----- RESID 183 (V): -2.046 ----- -0.466 -1.116 0.753 0.240 RESID 184 (A): 0.684 ----- -1.165 0.103 10.050 0.612 RESID 185 (R): -1.361 ----- -1.304 -0.380 -0.159 -0.232 RESID 186 (N): -0.887 ----- -0.788 0.471 1.339 0.348 RESID 187 (A): -2.387 ----- -0.924 0.659 -0.601 -0.237 RESID 188 (I): -0.255 ----- -1.202 -0.656 -0.285 -0.594 RESID 189 (V): -1.435 ----- -0.270 -0.989 0.442 -0.212 RESID 190 (N): -0.917 ----- -1.307 0.432 0.507 0.190 RESID 191 (C): 0.893 ----- -0.731 -4.052 14.025 -0.219 RESID 192 (A): -0.119 ----- -0.917 0.032 -0.139 -0.535 RESID 193 (E): -4.782 ----- -1.979 -1.067 0.057 -0.754 RESID 194 (L): -2.752 ----- -1.725 -2.438 -0.070 -0.475 RESID 195 (V): 2.274 ----- -0.954 -2.242 0.591 -0.043 RESID 196 (T): 4.501 ----- -1.660 -1.228 0.622 0.171 RESID 197 (Y): 0.415 ----- 0.007 0.530 -0.390 0.275 RESID 198 (D): -1.256 ----- -0.604 0.271 -0.179 0.435 RESID 199 (L): 2.173 ----- 1.238 0.351 1.177 0.198 RESID 200 (I): 2.597 ----- -1.310 2.205 1.603 0.395 RESID 201 (K): 1.760 ----- -0.751 1.957 -0.239 0.714 RESID 202 (D): 1.373 ----- 1.615 1.710 0.148 0.581 RESID 203 (T): 1.761 ----- ----- -1.019 -0.630 0.261 RESID 204 (L): ----- ----- 0.061 ----- ----- -0.702 RESID 205 (L): 1.570 ----- 2.775 1.722 -0.014 0.284 RESID 206 (K): -0.062 ----- 0.431 0.487 0.170 -0.397 RESID 207 (A): 0.902 ----- 0.064 0.924 0.347 0.006 RESID 208 (N): -1.144 ----- -0.361 0.194 0.355 -0.273 RESID 212 (D): ----- ----- -0.367 ----- ----- ----- RESID 213 (D): -4.261 ----- -1.626 0.373 -1.046 -0.273 RESID 214 (L): -0.924 ----- ----- 1.006 0.188 -0.625 RESID 215 (P): ----- ----- -1.238 0.331 -1.133 ----- RESID 216 (C): -2.044 ----- -0.940 -3.529 13.822 -0.058 RESID 217 (H): -0.351 ----- -0.601 -1.183 0.510 -0.452 RESID 218 (F): 1.096 ----- -0.933 -2.669 -0.046 0.005 RESID 219 (T): 0.109 ----- -0.739 -2.020 -4.987 0.043 RESID 220 (S): -0.584 ----- -1.503 -0.206 0.588 0.268 RESID 221 (A): -0.306 ----- -1.468 -0.839 0.599 0.120 RESID 222 (F): -3.892 ----- -1.446 -3.283 0.612 -0.301 RESID 223 (G): 2.389 ----- -1.647 -1.077 ----- -0.165 RESID 224 (A): -1.057 ----- -1.186 -1.079 0.783 0.151 RESID 225 (G): 0.373 ----- -0.469 0.109 ----- -0.231 RESID 226 (F): 0.410 ----- -0.912 -0.279 -0.585 0.246 RESID 227 (C): -1.205 ----- ----- -2.211 13.739 0.407 RESID 228 (T): ----- ----- 0.272 ----- ----- -0.083 RESID 229 (T): -1.718 ----- 0.224 -0.071 -0.364 -0.012 RESID 230 (V): -1.705 ----- -0.706 0.955 -0.409 0.647 RESID 231 (I): 0.302 ----- -0.143 2.106 0.660 1.177 RESID 232 (A): 1.181 ----- -0.653 -0.082 -0.504 0.223 RESID 233 (S): -1.176 ----- ----- -0.729 0.792 -0.286 RESID 234 (P): ----- ----- -0.323 ----- ----- ----- RESID 235 (V): 1.296 ----- -0.685 -0.345 -0.239 0.756 RESID 236 (D): 1.536 ----- -0.898 0.422 -0.575 0.296 RESID 237 (V): -3.422 ----- ----- -0.577 -0.416 0.011 RESID 238 (V): ----- ----- 0.930 ----- ----- 0.111 RESID 239 (K): 3.390 ----- 0.658 -0.580 -0.710 0.228 RESID 240 (T): 5.664 ----- -1.022 2.928 -1.224 0.160 RESID 241 (R): -3.521 ----- ----- -0.848 0.847 -0.625 RESID 242 (Y): ----- ----- 0.209 ----- ----- 0.325 RESID 243 (M): -5.100 ----- 0.930 -0.364 ----- -0.677 RESID 244 (N): -6.025 ----- 0.501 6.209 -1.052 -0.471 RESID 245 (S): -5.140 ----- 2.191 -4.737 -1.808 0.383 RESID 246 (A): 4.093 ----- 0.257 4.889 -0.723 -0.104 RESID 247 (L): -3.833 ----- -0.103 -0.720 -0.602 -0.074 RESID 248 (G): -2.169 ----- ----- 0.155 ----- 0.024 RESID 250 (Y): ----- ----- 0.743 ----- ----- -0.528 RESID 251 (H): 5.433 ----- 0.000 0.665 -1.173 -0.322 RESID 252 (S): 0.624 ----- 0.361 -0.032 -0.621 0.217 RESID 253 (A): -1.374 ----- -0.711 0.349 0.379 -0.562 RESID 254 (G): 0.162 ----- -1.249 0.704 ----- -0.272 RESID 255 (H): -0.240 ----- 1.309 1.181 3.162 0.397 RESID 256 (C): -0.775 ----- -1.421 -3.741 15.079 0.372 RESID 257 (A): -0.378 ----- -0.003 -0.545 -0.551 0.547 RESID 258 (L): 1.427 ----- -0.964 -1.058 -0.259 -0.026 RESID 259 (T): 1.000 ----- -0.309 0.909 -0.939 -0.439 RESID 260 (M): -3.474 ----- -0.635 -0.562 -0.338 0.008 RESID 261 (L): -1.803 ----- -1.210 0.748 0.766 0.529 RESID 262 (R): -0.671 ----- ----- 1.024 -0.317 0.060 RESID 266 (P): ----- ----- -1.087 1.244 ----- ----- RESID 267 (R): -1.047 ----- -0.417 0.445 0.654 0.075 RESID 268 (A): -0.108 ----- 1.215 -0.126 0.109 0.295 RESID 269 (F): -0.559 ----- -0.840 0.019 -0.412 0.194 RESID 270 (Y): -0.168 ----- 1.079 0.078 -0.277 0.353 RESID 271 (K): -0.250 ----- 2.070 1.192 -1.250 0.055 RESID 272 (G): -7.332 ----- 0.553 1.089 ----- -1.268 RESID 273 (F): 2.920 ----- 0.432 3.077 1.706 0.052 RESID 277 (F): ----- ----- -0.357 0.482 0.387 -0.153 RESID 278 (L): -0.179 ----- -2.071 -1.970 1.510 0.507 RESID 279 (R): -0.147 ----- -2.506 -2.481 0.657 -0.377 RESID 280 (L): -0.425 ----- -1.092 -0.873 0.576 -0.668 RESID 281 (G): 1.144 ----- -1.762 -0.345 ----- 0.173 RESID 282 (S): -2.610 ----- -2.395 -2.234 -4.214 0.274 RESID 283 (W): -1.221 ----- -1.429 -2.816 0.805 -0.302 RESID 284 (N): 0.572 ----- ----- -0.704 1.262 0.108 RESID 285 (V): ----- ----- 0.493 ----- ----- 0.452 RESID 286 (V): 0.869 ----- -0.556 -1.533 -1.926 0.350 RESID 287 (M): 1.068 ----- -0.085 0.030 -0.200 0.978 RESID 288 (F): 1.862 ----- -1.059 0.235 -0.017 -0.012 RESID 289 (V): -0.114 ----- ----- -1.427 -0.970 0.245 RESID 290 (T): ----- ----- -1.094 ----- ----- 0.499 RESID 291 (Y): -2.005 ----- -0.511 -0.085 0.080 0.415 RESID 292 (E): -1.094 ----- -1.838 0.549 0.651 0.450 RESID 293 (Q): -1.198 ----- -1.918 0.509 0.171 0.314 RESID 294 (L): 2.068 ----- -0.488 1.298 -0.250 0.519 RESID 295 (K): 0.491 ----- ----- 1.575 -1.300 -0.117 RESID 296 (R): ----- ----- ----- ----- ----- -0.122 RESID 297 (A): ----- ----- 0.286 ----- ----- -0.092 RESID 298 (L): -3.942 ----- 1.748 2.748 0.076 -0.327 RESID 299 (M): -1.294 ----- 3.627 3.389 0.437 -0.640 RESID 300 (A): -2.452 ----- 4.244 3.244 -1.733 0.121 RESID 301 (A): -6.785 ----- 0.836 0.673 -0.142 -0.822 RESID 302 (Y): -1.545 ----- -0.809 -0.900 1.478 -0.466 RESID 303 (Q): 0.240 ----- -1.842 -0.504 1.220 -0.587 RESID 304 (S): -0.379 ----- -1.385 -1.442 0.843 -0.110 RESID 305 (R): 1.790 ----- -2.088 1.553 0.421 -0.373 RESID 306 (E): 2.097 ----- -1.179 1.060 0.825 0.200 RESID 307 (A): -3.188 ----- -1.009 1.332 0.849 0.148 DATA CS_STAT_INFO N RMS: 2.549 ppm Count: 236 Average Difference: -0.113 +/- 2.552 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.125 ppm Count: 239 Average Difference: 0.350 +/- 1.071 ppm DATA CS_STAT_INFO CA RMS: 1.546 ppm Count: 241 Average Difference: 0.087 +/- 1.546 ppm DATA CS_STAT_INFO CB RMS: 2.508 ppm Count: 215 Average Difference: -0.640 +/- 2.431 ppm DATA CS_STAT_INFO HN RMS: 0.434 ppm Count: 249 Average Difference: -0.058 +/- 0.431 ppm ############################################################################ For conformer 7: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 125.001 -1.906 RESID 15 (V): C 176.453 176.453 177.003 -0.550 RESID 15 (V): CA 63.979 63.979 60.937 3.042 RESID 15 (V): CB 32.507 32.507 33.310 -0.803 RESID 15 (V): H 8.053 8.053 8.155 -0.102 RESID 16 (K): N 123.075 123.075 122.560 0.515 RESID 16 (K): C 176.841 176.841 179.120 -2.279 RESID 16 (K): CA 59.762 59.762 59.652 0.110 RESID 16 (K): CB 32.751 32.751 32.173 0.578 RESID 16 (K): H 8.059 8.059 8.652 -0.593 RESID 17 (F): N 118.838 118.838 120.609 -1.771 RESID 17 (F): C 175.443 175.443 177.462 -2.019 RESID 17 (F): CA 59.915 59.915 60.599 -0.684 RESID 17 (F): CB 39.659 39.659 38.822 0.837 RESID 17 (F): H 7.909 7.909 8.088 -0.179 RESID 18 (L): N 119.089 119.089 120.041 -0.952 RESID 18 (L): C 177.195 177.195 177.767 -0.572 RESID 18 (L): CA 55.385 55.385 56.905 -1.520 RESID 18 (L): CB 42.905 42.905 41.962 0.944 RESID 18 (L): H 7.814 7.814 8.194 -0.380 RESID 19 (G): N 108.484 108.484 107.773 0.711 RESID 19 (G): C 174.967 174.967 175.529 -0.562 RESID 19 (G): CA 45.518 45.518 47.154 -1.636 RESID 19 (G): H 8.032 8.032 8.610 -0.578 RESID 20 (A): N 124.208 124.208 123.812 0.396 RESID 20 (A): C 179.405 179.405 179.390 0.015 RESID 20 (A): CA 54.531 54.531 54.397 0.134 RESID 20 (A): CB 18.995 18.995 18.118 0.877 RESID 20 (A): H 8.318 8.318 8.038 0.280 RESID 21 (G): N 108.209 108.209 107.293 0.916 RESID 21 (G): C 175.676 175.676 176.211 -0.535 RESID 21 (G): CA 46.742 46.742 47.219 -0.477 RESID 21 (G): H 8.523 8.523 7.965 0.558 RESID 22 (T): N 119.542 119.542 118.637 0.905 RESID 22 (T): C 175.661 175.661 175.988 -0.327 RESID 22 (T): CA 66.401 66.401 65.839 0.562 RESID 22 (T): CB 68.866 68.866 68.633 0.233 RESID 22 (T): H 7.881 7.881 8.317 -0.436 RESID 23 (A): N 123.431 123.431 123.924 -0.493 RESID 23 (A): C 178.628 178.628 178.996 -0.368 RESID 23 (A): CA 55.480 55.480 54.908 0.572 RESID 23 (A): CB 18.218 18.218 18.056 0.162 RESID 23 (A): H 8.263 8.263 7.496 0.767 RESID 24 (A): N 119.939 119.939 120.292 -0.353 RESID 24 (A): C 179.172 179.172 179.342 -0.170 RESID 24 (A): CA 55.038 55.038 54.892 0.146 RESID 24 (A): CB 18.385 18.385 18.089 0.296 RESID 24 (A): H 7.827 7.827 8.119 -0.292 RESID 25 (C): N 116.736 116.736 117.627 -0.891 RESID 25 (C): C 176.220 176.220 176.742 -0.522 RESID 25 (C): CA 58.596 58.596 64.223 -5.627 RESID 25 (C): CB 41.771 41.771 27.848 13.923 RESID 25 (C): H 7.677 7.677 7.438 0.239 RESID 26 (I): N 119.154 119.154 119.030 0.124 RESID 26 (I): C 176.915 176.915 177.272 -0.357 RESID 26 (I): CA 64.858 64.858 63.955 0.903 RESID 26 (I): CB 38.090 38.090 36.901 1.189 RESID 26 (I): H 7.899 7.899 7.359 0.540 RESID 27 (A): N 121.116 121.116 123.141 -2.025 RESID 27 (A): C 179.016 179.016 179.139 -0.123 RESID 27 (A): CA 55.367 55.367 55.049 0.318 RESID 27 (A): CB 18.385 18.385 18.269 0.116 RESID 27 (A): H 7.909 7.909 7.696 0.213 RESID 28 (D): N 116.829 116.829 117.837 -1.008 RESID 28 (D): C 177.643 177.643 178.151 -0.508 RESID 28 (D): CA 56.453 56.453 56.248 0.205 RESID 28 (D): CB 41.128 41.128 41.244 -0.116 RESID 28 (D): H 7.554 7.554 7.538 0.016 RESID 29 (L): N 119.672 119.672 120.586 -0.914 RESID 29 (L): C 178.628 178.628 179.431 -0.803 RESID 29 (L): CA 57.144 57.144 58.399 -1.255 RESID 29 (L): CB 43.146 43.146 42.114 1.032 RESID 29 (L): H 7.732 7.732 7.409 0.323 RESID 30 (I): N 113.629 113.629 117.499 -3.870 RESID 30 (I): C 176.456 176.456 176.730 -0.274 RESID 30 (I): CA 60.539 60.539 63.182 -2.643 RESID 30 (I): CB 38.506 38.506 38.201 0.305 RESID 30 (I): H 7.977 7.977 7.638 0.339 RESID 31 (T): N 113.314 113.314 115.369 -2.055 RESID 31 (T): C 174.045 174.045 175.620 -1.575 RESID 31 (T): CA 62.495 62.495 63.021 -0.526 RESID 31 (T): CB 69.898 69.898 69.683 0.215 RESID 31 (T): H 7.738 7.738 7.248 0.490 RESID 32 (F): N 123.409 123.409 123.599 -0.190 RESID 32 (F): CA 56.349 56.349 61.370 -5.021 RESID 32 (F): CB 39.148 39.148 36.870 2.278 RESID 32 (F): H 7.609 7.609 8.331 -0.722 RESID 33 (P): C 177.831 177.831 177.542 0.289 RESID 33 (P): CA 62.656 62.656 64.769 -2.113 RESID 33 (P): CB 34.762 34.762 30.877 3.885 RESID 34 (L): N 124.503 124.503 118.163 6.340 RESID 34 (L): C 176.298 176.298 178.548 -2.250 RESID 34 (L): CA 55.545 55.545 57.763 -2.218 RESID 34 (L): CB 43.287 43.287 41.440 1.847 RESID 34 (L): H 8.659 8.659 7.136 1.523 RESID 35 (D): N 121.663 121.663 118.568 3.095 RESID 35 (D): C 177.152 177.152 177.856 -0.704 RESID 35 (D): CA 54.326 54.326 57.456 -3.130 RESID 35 (D): CB 41.154 41.154 40.974 0.180 RESID 35 (D): H 8.236 8.236 7.624 0.612 RESID 36 (T): N 115.977 115.977 111.927 4.050 RESID 36 (T): C 177.088 177.088 176.349 0.739 RESID 36 (T): CA 64.868 64.868 65.608 -0.740 RESID 36 (T): CB 69.053 69.053 68.695 0.358 RESID 36 (T): H 8.127 8.127 7.688 0.439 RESID 37 (A): N 125.063 125.063 123.806 1.257 RESID 37 (A): C 179.143 179.143 179.710 -0.567 RESID 37 (A): CA 55.234 55.234 54.870 0.364 RESID 37 (A): CB 18.735 18.735 18.258 0.477 RESID 37 (A): H 8.042 8.042 7.589 0.453 RESID 38 (K): N 117.827 117.827 118.352 -0.525 RESID 38 (K): C 178.239 178.239 178.243 -0.004 RESID 38 (K): CA 58.861 58.861 59.078 -0.217 RESID 38 (K): CB 32.724 32.724 32.326 0.398 RESID 38 (K): H 7.759 7.759 7.568 0.191 RESID 39 (V): N 118.955 118.955 116.358 2.597 RESID 39 (V): C 177.892 177.892 177.849 0.043 RESID 39 (V): CA 65.478 65.478 65.279 0.199 RESID 39 (V): CB 34.675 34.675 31.706 2.969 RESID 39 (V): H 7.554 7.554 7.418 0.136 RESID 40 (R): N 119.922 119.922 119.097 0.825 RESID 40 (R): C 178.391 178.391 178.709 -0.318 RESID 40 (R): CA 59.648 59.648 57.182 2.466 RESID 40 (R): CB 29.933 29.933 29.968 -0.035 RESID 40 (R): H 7.794 7.794 7.540 0.254 RESID 41 (L): N 118.720 118.720 120.125 -1.405 RESID 41 (L): CA 54.749 54.749 55.058 -0.309 RESID 41 (L): CB 40.429 40.429 40.597 -0.168 RESID 41 (L): H 7.534 7.534 7.600 -0.066 RESID 49 (G): C 174.779 174.779 174.908 -0.129 RESID 50 (L): N 123.029 123.029 121.006 2.023 RESID 50 (L): C 178.482 178.482 178.488 -0.006 RESID 50 (L): CA 56.765 56.765 57.119 -0.354 RESID 50 (L): CB 41.673 41.673 41.963 -0.290 RESID 50 (L): H 8.113 8.113 8.015 0.098 RESID 51 (V): N 118.714 118.714 118.932 -0.218 RESID 51 (V): C 178.032 178.032 178.441 -0.409 RESID 51 (V): CA 66.037 66.037 66.645 -0.608 RESID 51 (V): CB 30.763 30.763 31.375 -0.612 RESID 51 (V): H 7.974 7.974 7.971 0.003 RESID 52 (R): N 121.569 121.569 117.403 4.166 RESID 52 (R): CA 59.167 59.167 58.797 0.370 RESID 52 (R): CB 29.437 29.437 29.967 -0.530 RESID 52 (R): H 8.231 8.231 8.339 -0.108 RESID 53 (T): C 175.108 175.108 175.278 -0.170 RESID 53 (T): H 7.948 7.948 7.472 0.476 RESID 54 (A): N 121.823 121.823 124.406 -2.583 RESID 54 (A): C 174.922 174.922 176.054 -1.132 RESID 54 (A): CA 50.101 50.101 50.939 -0.838 RESID 54 (A): CB 18.950 18.950 19.605 -0.655 RESID 54 (A): H 7.792 7.792 8.049 -0.257 RESID 55 (A): N 113.986 113.986 124.710 -10.724 RESID 55 (A): C 178.007 178.007 177.223 0.784 RESID 55 (A): CA 53.458 53.458 54.135 -0.676 RESID 55 (A): CB 18.809 18.809 18.783 0.026 RESID 55 (A): H 7.333 7.333 8.631 -1.298 RESID 56 (S): N 125.425 125.425 113.397 12.028 RESID 56 (S): C 174.899 174.899 173.904 0.995 RESID 56 (S): CA 59.520 59.520 57.098 2.422 RESID 56 (S): CB 64.051 64.051 64.685 -0.634 RESID 56 (S): H 7.786 7.786 7.585 0.201 RESID 57 (A): N 118.183 118.183 120.193 -2.010 RESID 57 (A): CA 53.783 53.783 52.743 1.040 RESID 57 (A): CB 17.599 17.599 17.881 -0.282 RESID 57 (A): H 8.018 8.018 7.949 0.069 RESID 59 (Y): C 177.662 177.662 176.003 1.659 RESID 60 (R): N 122.798 122.798 121.587 1.211 RESID 60 (R): C 177.956 177.956 176.908 1.048 RESID 60 (R): CA 58.711 58.711 57.682 1.029 RESID 60 (R): CB 30.659 30.659 30.119 0.540 RESID 60 (R): H 8.311 8.311 8.622 -0.311 RESID 61 (G): N 109.033 109.033 108.285 0.748 RESID 61 (G): C 176.064 176.064 175.294 0.770 RESID 61 (G): CA 46.592 46.592 44.918 1.674 RESID 61 (G): H 8.182 8.182 8.224 -0.042 RESID 62 (V): N 123.218 123.218 126.189 -2.971 RESID 62 (V): C 177.540 177.540 177.286 0.254 RESID 62 (V): CA 66.277 66.277 64.622 1.655 RESID 62 (V): CB 32.355 32.355 32.093 0.262 RESID 62 (V): H 8.105 8.105 8.499 -0.394 RESID 63 (L): N 120.295 120.295 119.270 1.025 RESID 63 (L): C 178.628 178.628 179.411 -0.783 RESID 63 (L): CA 58.366 58.366 57.713 0.653 RESID 63 (L): CB 41.675 41.675 40.297 1.378 RESID 63 (L): H 8.182 8.182 8.410 -0.228 RESID 64 (G): N 106.013 106.013 106.384 -0.371 RESID 64 (G): C 176.531 176.531 176.114 0.417 RESID 64 (G): CA 47.765 47.765 47.242 0.522 RESID 64 (G): H 8.102 8.102 7.735 0.367 RESID 65 (T): N 120.842 120.842 119.245 1.597 RESID 65 (T): C 176.453 176.453 176.487 -0.034 RESID 65 (T): CA 67.140 67.140 67.053 0.087 RESID 65 (T): CB 69.161 69.161 68.639 0.522 RESID 65 (T): H 7.854 7.854 7.417 0.437 RESID 66 (I): N 122.676 122.676 120.612 2.064 RESID 66 (I): C 177.307 177.307 177.355 -0.048 RESID 66 (I): CA 65.832 65.832 62.698 3.134 RESID 66 (I): CB 38.090 38.090 36.417 1.673 RESID 66 (I): H 8.018 8.018 7.438 0.580 RESID 67 (L): N 119.838 119.838 119.914 -0.076 RESID 67 (L): C 178.706 178.706 178.290 0.416 RESID 67 (L): CA 58.491 58.491 58.280 0.211 RESID 67 (L): CB 41.387 41.387 41.468 -0.081 RESID 67 (L): H 8.291 8.291 7.581 0.710 RESID 68 (T): N 115.362 115.362 115.183 0.179 RESID 68 (T): C 176.764 176.764 176.749 0.015 RESID 68 (T): CA 67.040 67.040 66.553 0.487 RESID 68 (T): CB 69.403 69.403 68.640 0.763 RESID 68 (T): H 7.963 7.963 7.216 0.747 RESID 69 (M): N 122.960 122.960 121.569 1.391 RESID 69 (M): C 177.153 177.153 177.600 -0.447 RESID 69 (M): CA 59.710 59.710 59.215 0.495 RESID 69 (M): CB 33.111 33.111 32.647 0.464 RESID 69 (M): H 7.977 7.977 7.619 0.358 RESID 70 (V): N 119.558 119.558 118.374 1.184 RESID 70 (V): C 176.841 176.841 177.494 -0.653 RESID 70 (V): CA 66.277 66.277 65.330 0.947 RESID 70 (V): CB 31.362 31.362 31.883 -0.521 RESID 70 (V): H 7.751 7.751 7.592 0.159 RESID 71 (R): N 118.002 118.002 117.518 0.484 RESID 71 (R): C 177.152 177.152 178.072 -0.920 RESID 71 (R): CA 58.761 58.761 58.181 0.580 RESID 71 (R): CB 30.656 30.656 30.073 0.583 RESID 71 (R): H 7.827 7.827 7.516 0.311 RESID 72 (T): N 111.410 111.410 114.996 -3.586 RESID 72 (T): C 175.288 175.288 175.667 -0.379 RESID 72 (T): CA 64.194 64.194 65.203 -1.009 RESID 72 (T): CB 70.312 70.312 69.140 1.172 RESID 72 (T): H 7.745 7.745 7.658 0.087 RESID 73 (E): N 120.577 120.577 119.265 1.312 RESID 73 (E): C 177.696 177.696 176.485 1.211 RESID 73 (E): CA 57.363 57.363 56.545 0.817 RESID 73 (E): CB 30.927 30.927 31.487 -0.560 RESID 73 (E): H 8.263 8.263 8.017 0.246 RESID 74 (G): N 108.209 108.209 109.275 -1.066 RESID 74 (G): CA 45.593 45.593 44.998 0.595 RESID 74 (G): H 7.841 7.841 7.547 0.294 RESID 75 (P): C 177.152 177.152 178.154 -1.002 RESID 75 (P): CA 65.652 65.652 64.480 1.172 RESID 75 (P): CB 32.294 32.294 32.152 0.142 RESID 76 (R): N 118.553 118.553 115.780 2.773 RESID 76 (R): C 177.696 177.696 177.419 0.277 RESID 76 (R): CA 59.785 59.785 57.816 1.969 RESID 76 (R): CB 29.671 29.671 28.742 0.929 RESID 76 (R): H 8.427 8.427 8.646 -0.219 RESID 77 (S): N 115.323 115.323 114.176 1.147 RESID 77 (S): C 177.230 177.230 175.730 1.500 RESID 77 (S): CA 61.318 61.318 60.833 0.485 RESID 77 (S): CB 63.281 63.281 63.656 -0.375 RESID 77 (S): H 7.963 7.963 7.866 0.097 RESID 78 (L): N 122.598 122.598 121.153 1.445 RESID 78 (L): C 177.696 177.696 178.018 -0.322 RESID 78 (L): CA 57.792 57.792 56.634 1.158 RESID 78 (L): CB 42.202 42.202 42.212 -0.010 RESID 78 (L): H 7.595 7.595 7.613 -0.018 RESID 79 (Y): N 119.276 119.276 115.239 4.037 RESID 79 (Y): C 176.142 176.142 174.686 1.456 RESID 79 (Y): CA 60.792 60.792 58.588 2.204 RESID 79 (Y): CB 38.687 38.687 38.415 0.272 RESID 79 (Y): H 7.868 7.868 7.734 0.134 RESID 80 (N): N 117.249 117.249 116.579 0.670 RESID 80 (N): C 178.472 178.472 175.790 2.682 RESID 80 (N): CA 53.024 53.024 52.703 0.321 RESID 80 (N): CB 37.946 37.946 39.271 -1.325 RESID 80 (N): H 8.374 8.374 7.274 1.100 RESID 81 (G): N 108.575 108.575 112.958 -4.383 RESID 81 (G): C 175.521 175.521 174.994 0.527 RESID 81 (G): CA 46.266 46.266 45.841 0.425 RESID 81 (G): H 8.086 8.086 8.783 -0.697 RESID 82 (L): N 124.326 124.326 120.866 3.460 RESID 82 (L): C 178.239 178.239 177.771 0.468 RESID 82 (L): CA 58.217 58.217 57.510 0.707 RESID 82 (L): CB 42.351 42.351 40.523 1.828 RESID 82 (L): H 7.991 7.991 7.856 0.135 RESID 83 (V): N 117.727 117.727 118.895 -1.168 RESID 83 (V): C 177.851 177.851 176.783 1.068 RESID 83 (V): CA 64.113 64.113 64.475 -0.362 RESID 83 (V): CB 31.924 31.924 31.543 0.381 RESID 83 (V): H 8.004 8.004 8.069 -0.065 RESID 84 (A): N 121.414 121.414 121.441 -0.027 RESID 84 (A): C 180.570 180.570 179.495 1.075 RESID 84 (A): CA 55.031 55.031 54.348 0.683 RESID 84 (A): CB 18.286 18.286 18.414 -0.128 RESID 84 (A): H 7.677 7.677 7.237 0.440 RESID 85 (G): N 106.471 106.471 107.309 -0.838 RESID 85 (G): C 175.521 175.521 176.342 -0.821 RESID 85 (G): CA 47.191 47.191 46.439 0.752 RESID 85 (G): H 7.963 7.963 7.694 0.269 RESID 86 (L): N 122.326 122.326 123.192 -0.866 RESID 86 (L): C 178.239 178.239 178.057 0.182 RESID 86 (L): CA 57.493 57.493 57.085 0.408 RESID 86 (L): CB 42.202 42.202 41.981 0.221 RESID 86 (L): H 8.100 8.100 7.450 0.650 RESID 87 (Q): N 117.736 117.736 117.405 0.331 RESID 87 (Q): C 177.340 177.340 177.697 -0.357 RESID 87 (Q): CA 57.787 57.787 58.848 -1.061 RESID 87 (Q): CB 28.942 28.942 28.175 0.766 RESID 87 (Q): H 8.004 8.004 7.908 0.096 RESID 88 (R): N 118.107 118.107 119.331 -1.224 RESID 88 (R): C 177.930 177.930 178.913 -0.983 RESID 88 (R): CA 58.062 58.062 59.449 -1.387 RESID 88 (R): CB 30.774 30.774 29.720 1.054 RESID 88 (R): H 7.568 7.568 7.310 0.258 RESID 89 (Q): N 117.921 117.921 118.157 -0.236 RESID 89 (Q): C 177.375 177.375 178.215 -0.840 RESID 89 (Q): CA 56.838 56.838 58.175 -1.337 RESID 89 (Q): CB 29.006 29.006 28.131 0.875 RESID 89 (Q): H 7.827 7.827 7.474 0.353 RESID 90 (M): N 118.378 118.378 120.254 -1.876 RESID 90 (M): C 176.365 176.365 177.143 -0.778 RESID 90 (M): CA 56.339 56.339 57.950 -1.611 RESID 90 (M): CB 33.444 33.444 32.384 1.060 RESID 90 (M): H 7.963 7.963 8.420 -0.457 RESID 91 (S): N 115.089 115.089 114.637 0.452 RESID 91 (S): C 175.899 175.899 176.829 -0.930 RESID 91 (S): CA 58.621 58.621 61.539 -2.918 RESID 91 (S): CB 64.337 64.337 62.642 1.696 RESID 91 (S): H 7.868 7.868 7.909 -0.041 RESID 92 (F): N 122.852 122.852 124.100 -1.248 RESID 92 (F): C 177.375 177.375 176.331 1.044 RESID 92 (F): CA 59.095 59.095 61.600 -2.505 RESID 92 (F): CB 38.937 38.937 39.033 -0.096 RESID 92 (F): H 8.332 8.332 7.576 0.756 RESID 93 (A): N 123.258 123.258 120.085 3.173 RESID 93 (A): C 178.628 178.628 178.821 -0.193 RESID 93 (A): CA 54.881 54.881 54.433 0.448 RESID 93 (A): CB 17.902 17.902 18.265 -0.362 RESID 93 (A): H 8.223 8.223 7.692 0.531 RESID 94 (S): N 112.886 112.886 114.785 -1.899 RESID 94 (S): C 176.831 176.831 176.771 0.060 RESID 94 (S): CA 60.319 60.319 61.188 -0.869 RESID 94 (S): CB 63.611 63.611 63.214 0.397 RESID 94 (S): H 7.977 7.977 7.520 0.457 RESID 95 (V): N 121.854 121.854 121.713 0.141 RESID 95 (V): C 176.220 176.220 177.150 -0.930 RESID 95 (V): CA 64.629 64.629 65.825 -1.196 RESID 95 (V): CB 31.328 31.328 31.289 0.039 RESID 95 (V): H 7.581 7.581 8.123 -0.542 RESID 96 (R): N 121.329 121.329 119.060 2.269 RESID 96 (R): C 176.814 176.814 176.921 -0.107 RESID 96 (R): CA 58.636 58.636 57.407 1.229 RESID 96 (R): CB 30.672 30.672 29.464 1.208 RESID 96 (R): H 7.936 7.936 7.198 0.738 RESID 97 (I): N 119.194 119.194 118.061 1.133 RESID 97 (I): C 177.152 177.152 176.213 0.939 RESID 97 (I): CA 63.296 63.296 62.117 1.179 RESID 97 (I): CB 38.757 38.757 38.592 0.166 RESID 97 (I): H 7.802 7.802 7.401 0.401 RESID 98 (G): N 109.857 109.857 108.222 1.635 RESID 98 (G): C 176.064 176.064 174.980 1.084 RESID 98 (G): CA 46.941 46.941 46.075 0.866 RESID 98 (G): H 8.127 8.127 7.673 0.454 RESID 99 (L): N 123.258 123.258 120.640 2.618 RESID 99 (L): C 177.856 177.856 177.727 0.129 RESID 99 (L): CA 58.264 58.264 56.880 1.384 RESID 99 (L): CB 42.488 42.488 41.134 1.354 RESID 99 (L): H 8.223 8.223 7.476 0.747 RESID 100 (Y): N 119.770 119.770 121.018 -1.248 RESID 100 (Y): C 176.997 176.997 177.036 -0.039 RESID 100 (Y): CA 61.592 61.592 62.147 -0.555 RESID 100 (Y): CB 38.809 38.809 38.701 0.108 RESID 100 (Y): H 8.207 8.207 8.050 0.157 RESID 101 (D): N 118.460 118.460 117.555 0.905 RESID 101 (D): C 178.939 178.939 178.475 0.464 RESID 101 (D): CA 57.797 57.797 56.888 0.909 RESID 101 (D): CB 40.498 40.498 40.412 0.086 RESID 101 (D): H 8.401 8.401 8.558 -0.157 RESID 102 (S): N 116.022 116.022 115.182 0.840 RESID 102 (S): C 176.005 176.005 176.717 -0.712 RESID 102 (S): CA 62.791 62.791 61.971 0.820 RESID 102 (S): CB 64.211 64.211 63.346 0.864 RESID 102 (S): H 7.854 7.854 7.787 0.067 RESID 103 (V): N 120.844 120.844 117.207 3.637 RESID 103 (V): C 177.307 177.307 177.331 -0.024 RESID 103 (V): CA 66.510 66.510 64.953 1.557 RESID 103 (V): CB 31.965 31.965 31.082 0.883 RESID 103 (V): H 7.926 7.926 7.447 0.479 RESID 104 (K): N 120.468 120.468 120.546 -0.078 RESID 104 (K): C 178.861 178.861 179.118 -0.257 RESID 104 (K): CA 60.184 60.184 60.036 0.148 RESID 104 (K): CB 31.979 31.979 32.251 -0.272 RESID 104 (K): H 8.127 8.127 7.333 0.794 RESID 105 (Q): N 118.386 118.386 117.680 0.706 RESID 105 (Q): C 177.540 177.540 178.680 -1.140 RESID 105 (Q): CA 58.786 58.786 58.074 0.712 RESID 105 (Q): CB 28.377 28.377 28.772 -0.395 RESID 105 (Q): H 7.841 7.841 8.177 -0.336 RESID 106 (F): N 119.471 119.471 119.535 -0.064 RESID 106 (F): C 176.531 176.531 175.963 0.568 RESID 106 (F): CA 60.593 60.593 60.649 -0.056 RESID 106 (F): CB 39.459 39.459 39.793 -0.334 RESID 106 (F): H 7.772 7.772 7.708 0.064 RESID 107 (Y): N 118.288 118.288 116.240 2.048 RESID 107 (Y): C 176.220 176.220 176.508 -0.288 RESID 107 (Y): CA 60.543 60.543 60.101 0.442 RESID 107 (Y): CB 38.819 38.819 41.057 -2.238 RESID 107 (Y): H 8.045 8.045 7.588 0.457 RESID 108 (T): N 113.383 113.383 114.281 -0.898 RESID 108 (T): C 175.288 175.288 175.602 -0.314 RESID 108 (T): CA 64.094 64.094 62.756 1.338 RESID 108 (T): CB 69.986 69.986 68.808 1.179 RESID 108 (T): H 7.868 7.868 7.735 0.133 RESID 113 (H): C 173.413 173.413 173.942 -0.529 RESID 113 (H): H 7.968 7.968 8.739 -0.771 RESID 114 (A): N 119.456 119.456 119.185 0.271 RESID 114 (A): C 177.851 177.851 176.099 1.752 RESID 114 (A): CA 53.283 53.283 52.018 1.265 RESID 114 (A): CB 19.362 19.362 19.525 -0.163 RESID 114 (A): H 8.433 8.433 7.664 0.769 RESID 115 (G): N 108.484 108.484 104.554 3.930 RESID 115 (G): C 174.822 174.822 174.884 -0.062 RESID 115 (G): CA 45.968 45.968 45.379 0.589 RESID 115 (G): H 8.250 8.250 8.197 0.053 RESID 116 (I): N 121.139 121.139 122.265 -1.126 RESID 116 (I): C 176.841 176.841 177.705 -0.864 RESID 116 (I): CA 63.160 63.160 64.302 -1.142 RESID 116 (I): CB 38.853 38.853 37.716 1.137 RESID 116 (I): H 8.127 8.127 8.145 -0.018 RESID 117 (G): N 110.863 110.863 106.794 4.069 RESID 117 (G): C 174.588 174.588 176.447 -1.859 RESID 117 (G): CA 46.791 46.791 47.301 -0.510 RESID 117 (G): H 8.509 8.509 8.366 0.143 RESID 118 (S): N 116.069 116.069 117.394 -1.325 RESID 118 (S): C 175.754 175.754 176.792 -1.038 RESID 118 (S): CA 60.319 60.319 61.541 -1.222 RESID 118 (S): CB 63.864 63.864 62.930 0.934 RESID 118 (S): H 7.991 7.991 8.048 -0.057 RESID 119 (R): N 122.134 122.134 121.266 0.868 RESID 119 (R): C 178.228 178.228 178.465 -0.237 RESID 119 (R): CA 57.787 57.787 59.599 -1.812 RESID 119 (R): CB 30.549 30.549 30.110 0.438 RESID 119 (R): H 7.963 7.963 8.512 -0.549 RESID 120 (L): N 120.403 120.403 122.365 -1.962 RESID 120 (L): C 177.230 177.230 178.828 -1.598 RESID 120 (L): CA 57.967 57.967 58.129 -0.162 RESID 120 (L): CB 42.146 42.146 42.005 0.141 RESID 120 (L): H 7.914 7.914 7.954 -0.040 RESID 121 (L): N 118.960 118.960 119.275 -0.315 RESID 121 (L): C 177.152 177.152 179.118 -1.966 RESID 121 (L): CA 55.495 55.495 58.020 -2.525 RESID 121 (L): CB 42.238 42.238 41.455 0.784 RESID 121 (L): H 7.718 7.718 8.420 -0.702 RESID 122 (A): N 123.063 123.063 121.996 1.067 RESID 122 (A): C 178.317 178.317 179.858 -1.541 RESID 122 (A): CA 53.358 53.358 55.336 -1.978 RESID 122 (A): CB 19.218 19.218 18.236 0.982 RESID 122 (A): H 7.745 7.745 8.829 -1.084 RESID 123 (G): N 107.843 107.843 106.727 1.116 RESID 123 (G): C 176.912 176.912 176.505 0.407 RESID 123 (G): CA 45.943 45.943 47.164 -1.221 RESID 123 (G): H 8.113 8.113 8.968 -0.855 RESID 124 (S): N 116.105 116.105 118.323 -2.218 RESID 124 (S): C 175.574 175.574 176.863 -1.289 RESID 124 (S): CA 59.145 59.145 61.863 -2.718 RESID 124 (S): CB 64.211 64.211 63.211 1.000 RESID 124 (S): H 8.109 8.109 8.431 -0.322 RESID 125 (T): N 116.069 116.069 118.710 -2.641 RESID 125 (T): C 176.055 176.055 176.766 -0.711 RESID 125 (T): CA 66.921 66.921 66.605 0.316 RESID 125 (T): CB 69.682 69.682 68.833 0.849 RESID 125 (T): H 8.086 8.086 8.214 -0.128 RESID 126 (T): N 115.439 115.439 118.824 -3.385 RESID 126 (T): C 177.443 177.443 176.656 0.787 RESID 126 (T): CA 65.285 65.285 67.146 -1.861 RESID 126 (T): CB 68.364 68.364 68.248 0.117 RESID 126 (T): H 7.977 7.977 8.704 -0.727 RESID 127 (G): N 115.453 115.453 108.789 6.664 RESID 127 (G): C 174.215 174.215 175.082 -0.867 RESID 127 (G): CA 46.117 46.117 46.780 -0.663 RESID 127 (G): H 8.168 8.168 8.206 -0.038 RESID 128 (A): N 123.952 123.952 124.700 -0.748 RESID 128 (A): C 178.162 178.162 179.417 -1.255 RESID 128 (A): CA 53.349 53.349 54.728 -1.379 RESID 128 (A): CB 19.099 19.099 18.506 0.593 RESID 128 (A): H 7.919 7.919 7.466 0.453 RESID 129 (L): N 120.025 120.025 118.578 1.447 RESID 129 (L): C 177.949 177.949 179.124 -1.175 RESID 129 (L): CA 56.019 56.019 57.506 -1.487 RESID 129 (L): CB 42.340 42.340 41.070 1.270 RESID 129 (L): H 7.936 7.936 7.591 0.345 RESID 130 (A): N 123.402 123.402 121.667 1.735 RESID 130 (A): C 177.929 177.929 179.720 -1.791 RESID 130 (A): CA 53.283 53.283 55.102 -1.819 RESID 130 (A): CB 18.964 18.964 18.247 0.717 RESID 130 (A): H 7.868 7.868 8.167 -0.299 RESID 131 (V): N 118.111 118.111 117.978 0.133 RESID 131 (V): C 176.025 176.025 177.757 -1.732 RESID 131 (V): CA 63.180 63.180 65.358 -2.178 RESID 131 (V): CB 32.898 32.898 30.957 1.941 RESID 131 (V): H 7.636 7.636 8.035 -0.399 RESID 132 (A): N 124.047 124.047 122.515 1.532 RESID 132 (A): C 179.008 179.008 178.759 0.249 RESID 132 (A): CA 53.707 53.707 54.653 -0.945 RESID 132 (A): CB 19.150 19.150 18.825 0.325 RESID 132 (A): H 7.911 7.911 7.546 0.365 RESID 133 (V): N 113.349 113.349 118.586 -5.237 RESID 133 (V): C 175.527 175.527 176.374 -0.847 RESID 133 (V): CA 64.115 64.115 62.936 1.179 RESID 133 (V): CB 31.832 31.832 32.439 -0.607 RESID 133 (V): H 7.094 7.094 7.560 -0.466 RESID 134 (A): N 123.224 123.224 120.495 2.729 RESID 134 (A): CA 55.493 55.493 51.871 3.622 RESID 134 (A): H 7.586 7.586 7.447 0.139 RESID 136 (P): C 177.074 177.074 178.357 -1.283 RESID 137 (T): N 113.281 113.281 108.106 5.175 RESID 137 (T): C 174.485 174.485 176.684 -2.199 RESID 137 (T): CA 64.496 64.496 66.004 -1.508 RESID 137 (T): CB 69.997 69.997 68.352 1.645 RESID 137 (T): H 7.963 7.963 8.117 -0.154 RESID 138 (D): N 122.770 122.770 122.252 0.518 RESID 138 (D): C 178.458 178.458 178.467 -0.009 RESID 138 (D): CA 56.776 56.776 56.924 -0.148 RESID 138 (D): CB 41.023 41.023 40.815 0.208 RESID 138 (D): H 8.094 8.094 7.619 0.475 RESID 139 (V): N 119.931 119.931 119.937 -0.006 RESID 139 (V): C 177.502 177.502 178.161 -0.659 RESID 139 (V): CA 66.455 66.455 66.403 0.052 RESID 139 (V): CB 32.804 32.804 31.460 1.343 RESID 139 (V): H 7.753 7.753 7.870 -0.117 RESID 140 (V): N 120.539 120.539 120.600 -0.061 RESID 140 (V): C 176.232 176.232 177.610 -1.378 RESID 140 (V): CA 66.770 66.770 66.134 0.636 RESID 140 (V): CB 32.086 32.086 31.272 0.814 RESID 140 (V): H 8.295 8.295 8.190 0.105 RESID 141 (K): N 120.122 120.122 119.696 0.426 RESID 141 (K): C 176.120 176.120 178.891 -2.771 RESID 141 (K): CA 55.991 55.991 60.074 -4.083 RESID 141 (K): CB 31.712 31.712 32.465 -0.753 RESID 141 (K): H 7.698 7.698 7.552 0.146 RESID 142 (V): N 120.104 120.104 115.396 4.708 RESID 142 (V): CA 63.230 63.230 65.648 -2.418 RESID 142 (V): H 7.772 7.772 7.399 0.373 RESID 143 (R): C 178.401 178.401 178.835 -0.434 RESID 143 (R): H 7.999 7.999 7.827 0.172 RESID 144 (F): N 120.445 120.445 120.737 -0.292 RESID 144 (F): C 177.856 177.856 176.247 1.609 RESID 144 (F): CA 61.438 61.438 60.754 0.684 RESID 144 (F): H 8.395 8.395 8.668 -0.273 RESID 145 (Q): N 124.180 124.180 116.709 7.471 RESID 145 (Q): C 174.844 174.844 177.556 -2.712 RESID 145 (Q): CA 56.414 56.414 57.783 -1.369 RESID 145 (Q): CB 30.721 30.721 29.160 1.561 RESID 145 (Q): H 8.094 8.094 7.725 0.369 RESID 146 (A): N 120.452 120.452 120.153 0.299 RESID 146 (A): C 177.929 177.929 177.594 0.335 RESID 146 (A): CA 53.483 53.483 53.178 0.305 RESID 146 (A): CB 18.431 18.431 19.053 -0.622 RESID 146 (A): H 7.939 7.939 7.446 0.493 RESID 147 (Q): N 119.388 119.388 118.746 0.642 RESID 147 (Q): C 176.029 176.029 175.150 0.879 RESID 147 (Q): CA 56.339 56.339 56.727 -0.388 RESID 147 (Q): CB 29.444 29.444 28.595 0.849 RESID 147 (Q): H 8.072 8.072 7.591 0.481 RESID 148 (A): N 125.199 125.199 129.249 -4.050 RESID 148 (A): C 177.766 177.766 178.563 -0.797 RESID 148 (A): CA 53.108 53.108 53.043 0.065 RESID 148 (A): CB 19.151 19.151 19.090 0.061 RESID 148 (A): H 8.055 8.055 8.336 -0.281 RESID 149 (R): N 120.208 120.208 120.947 -0.739 RESID 149 (R): CA 56.414 56.414 54.451 1.963 RESID 149 (R): CB 30.749 30.749 28.418 2.331 RESID 149 (R): H 8.018 8.018 8.180 -0.162 RESID 159 (T): C 175.928 175.928 176.161 -0.233 RESID 160 (V): N 118.321 118.321 120.890 -2.569 RESID 160 (V): C 177.749 177.749 177.191 0.558 RESID 160 (V): CA 64.126 64.126 65.474 -1.348 RESID 160 (V): CB 31.343 31.343 31.523 -0.180 RESID 160 (V): H 8.073 8.073 8.028 0.045 RESID 161 (E): N 122.379 122.379 120.180 2.199 RESID 161 (E): C 178.783 178.783 178.599 0.184 RESID 161 (E): CA 59.550 59.550 59.612 -0.062 RESID 161 (E): CB 29.597 29.597 29.248 0.349 RESID 161 (E): H 8.204 8.204 8.448 -0.244 RESID 162 (A): N 122.845 122.845 123.253 -0.408 RESID 162 (A): C 179.948 179.948 179.347 0.601 RESID 162 (A): CA 55.181 55.181 55.367 -0.186 RESID 162 (A): CB 18.154 18.154 18.609 -0.455 RESID 162 (A): H 7.786 7.786 8.759 -0.973 RESID 163 (Y): N 118.902 118.902 119.678 -0.776 RESID 163 (Y): C 177.273 177.273 177.764 -0.491 RESID 163 (Y): CA 61.068 61.068 60.174 0.894 RESID 163 (Y): CB 37.898 37.898 38.325 -0.427 RESID 163 (Y): H 7.922 7.922 7.969 -0.047 RESID 164 (K): N 119.939 119.939 118.214 1.725 RESID 164 (K): C 178.239 178.239 179.158 -0.919 RESID 164 (K): CA 60.309 60.309 58.740 1.569 RESID 164 (K): CB 32.504 32.504 31.884 0.620 RESID 164 (K): H 8.223 8.223 7.343 0.880 RESID 165 (T): N 115.262 115.262 116.875 -1.613 RESID 165 (T): C 175.676 175.676 176.748 -1.072 RESID 165 (T): CA 66.516 66.516 66.346 0.170 RESID 165 (T): CB 69.367 69.367 68.759 0.608 RESID 165 (T): H 7.745 7.745 7.993 -0.248 RESID 166 (I): N 121.571 121.571 120.804 0.767 RESID 166 (I): C 177.307 177.307 177.328 -0.021 RESID 166 (I): CA 64.634 64.634 63.446 1.188 RESID 166 (I): CB 38.896 38.896 37.252 1.643 RESID 166 (I): H 7.540 7.540 7.489 0.051 RESID 167 (A): N 121.983 121.983 122.636 -0.653 RESID 167 (A): C 178.395 178.395 180.190 -1.795 RESID 167 (A): CA 54.656 54.656 54.793 -0.137 RESID 167 (A): CB 18.486 18.486 18.113 0.373 RESID 167 (A): H 8.059 8.059 7.822 0.237 RESID 168 (R): N 116.369 116.369 119.319 -2.950 RESID 168 (R): C 177.307 177.307 178.365 -1.058 RESID 168 (R): CA 58.486 58.486 58.697 -0.211 RESID 168 (R): CB 30.930 30.930 30.128 0.802 RESID 168 (R): H 7.690 7.690 7.860 -0.170 RESID 169 (E): N 118.667 118.667 117.446 1.221 RESID 169 (E): C 177.696 177.696 178.132 -0.436 RESID 169 (E): CA 58.212 58.212 58.445 -0.233 RESID 169 (E): CB 30.357 30.357 29.880 0.477 RESID 169 (E): H 8.045 8.045 7.695 0.350 RESID 170 (E): N 118.202 118.202 117.112 1.090 RESID 170 (E): C 177.878 177.878 176.909 0.969 RESID 170 (E): CA 57.363 57.363 56.679 0.684 RESID 170 (E): CB 31.277 31.277 31.052 0.225 RESID 170 (E): H 8.550 8.550 8.365 0.185 RESID 171 (G): N 108.941 108.941 107.246 1.695 RESID 171 (G): C 174.433 174.433 174.973 -0.540 RESID 171 (G): CA 45.193 45.193 44.560 0.633 RESID 171 (G): H 7.881 7.881 7.657 0.224 RESID 172 (I): N 120.842 120.842 121.583 -0.741 RESID 172 (I): C 176.997 176.997 176.906 0.091 RESID 172 (I): CA 63.810 63.810 62.640 1.170 RESID 172 (I): CB 38.516 38.516 37.967 0.549 RESID 172 (I): H 8.550 8.550 8.362 0.188 RESID 173 (R): N 119.480 119.480 119.991 -0.511 RESID 173 (R): C 178.084 178.084 178.126 -0.042 RESID 173 (R): CA 58.711 58.711 59.106 -0.395 RESID 173 (R): CB 29.796 29.796 29.577 0.219 RESID 173 (R): H 8.277 8.277 8.639 -0.362 RESID 174 (G): N 106.379 106.379 106.412 -0.033 RESID 174 (G): C 175.210 175.210 176.253 -1.043 RESID 174 (G): CA 46.767 46.767 46.611 0.156 RESID 174 (G): H 7.690 7.690 8.080 -0.390 RESID 175 (L): N 120.664 120.664 122.608 -1.944 RESID 175 (L): C 177.971 177.971 178.536 -0.565 RESID 175 (L): CA 57.104 57.104 57.357 -0.253 RESID 175 (L): CB 42.559 42.559 42.445 0.114 RESID 175 (L): H 7.554 7.554 7.350 0.204 RESID 176 (W): N 117.031 117.031 118.425 -1.394 RESID 176 (W): C 176.987 176.987 177.591 -0.604 RESID 176 (W): CA 57.672 57.672 58.478 -0.806 RESID 176 (W): CB 29.796 29.796 28.629 1.167 RESID 176 (W): H 7.499 7.499 8.106 -0.607 RESID 177 (K): N 120.567 120.567 120.274 0.293 RESID 177 (K): C 177.152 177.152 178.209 -1.057 RESID 177 (K): CA 57.712 57.712 59.617 -1.905 RESID 177 (K): CB 32.890 32.890 32.058 0.832 RESID 177 (K): H 7.595 7.595 7.522 0.073 RESID 178 (G): N 108.667 108.667 104.147 4.520 RESID 178 (G): C 174.045 174.045 175.488 -1.443 RESID 178 (G): CA 45.893 45.893 45.578 0.315 RESID 178 (G): H 7.881 7.881 8.178 -0.297 RESID 179 (T): N 115.080 115.080 118.290 -3.210 RESID 179 (T): C 175.192 175.192 176.270 -1.078 RESID 179 (T): CA 66.521 66.521 67.034 -0.513 RESID 179 (T): CB 70.079 70.079 68.492 1.587 RESID 179 (T): H 7.622 7.622 7.820 -0.198 RESID 180 (S): N 117.754 117.754 115.446 2.308 RESID 180 (S): CA 63.123 63.123 63.979 -0.856 RESID 180 (S): CB 62.045 62.045 61.883 0.161 RESID 180 (S): H 8.195 8.195 7.720 0.475 RESID 182 (N): C 177.348 177.348 177.716 -0.368 RESID 183 (V): N 118.118 118.118 119.876 -1.758 RESID 183 (V): C 176.944 176.944 177.497 -0.553 RESID 183 (V): CA 65.244 65.244 66.307 -1.063 RESID 183 (V): CB 32.508 32.508 31.558 0.950 RESID 183 (V): H 7.861 7.861 7.502 0.359 RESID 184 (A): N 122.284 122.284 121.435 0.849 RESID 184 (A): C 178.317 178.317 179.124 -0.807 RESID 184 (A): CA 55.339 55.339 55.123 0.215 RESID 184 (A): CB 28.230 28.230 18.096 10.134 RESID 184 (A): H 8.097 8.097 7.451 0.646 RESID 185 (R): N 117.321 117.321 119.269 -1.948 RESID 185 (R): C 177.527 177.527 178.067 -0.540 RESID 185 (R): CA 59.543 59.543 59.599 -0.056 RESID 185 (R): CB 29.767 29.767 30.024 -0.257 RESID 185 (R): H 7.611 7.611 8.138 -0.527 RESID 186 (N): N 117.294 117.294 117.617 -0.323 RESID 186 (N): C 176.599 176.599 177.281 -0.682 RESID 186 (N): CA 56.659 56.659 55.967 0.692 RESID 186 (N): CB 39.454 39.454 38.514 0.940 RESID 186 (N): H 8.048 8.048 7.779 0.269 RESID 187 (A): N 121.003 121.003 122.825 -1.822 RESID 187 (A): C 178.713 178.713 179.573 -0.860 RESID 187 (A): CA 55.520 55.520 55.023 0.497 RESID 187 (A): CB 18.097 18.097 18.656 -0.559 RESID 187 (A): H 7.322 7.322 7.475 -0.153 RESID 188 (I): N 119.319 119.319 118.992 0.327 RESID 188 (I): C 176.634 176.634 178.229 -1.595 RESID 188 (I): CA 64.225 64.225 63.840 0.385 RESID 188 (I): CB 37.658 37.658 36.940 0.718 RESID 188 (I): H 7.779 7.779 7.879 -0.100 RESID 189 (V): N 117.265 117.265 118.327 -1.062 RESID 189 (V): C 177.529 177.529 177.809 -0.280 RESID 189 (V): CA 65.562 65.562 67.293 -1.731 RESID 189 (V): CB 31.407 31.407 31.114 0.293 RESID 189 (V): H 7.776 7.776 8.262 -0.486 RESID 190 (N): N 118.736 118.736 119.846 -1.110 RESID 190 (N): C 176.476 176.476 177.543 -1.067 RESID 190 (N): CA 56.813 56.813 55.969 0.844 RESID 190 (N): CB 38.268 38.268 38.293 -0.025 RESID 190 (N): H 7.800 7.800 7.773 0.027 RESID 191 (C): N 120.152 120.152 119.729 0.423 RESID 191 (C): C 175.831 175.831 176.157 -0.326 RESID 191 (C): CA 60.293 60.293 62.672 -2.379 RESID 191 (C): CB 41.566 41.566 26.671 14.895 RESID 191 (C): H 7.784 7.784 8.114 -0.330 RESID 192 (A): N 121.963 121.963 122.119 -0.156 RESID 192 (A): C 178.395 178.395 179.340 -0.945 RESID 192 (A): CA 55.280 55.280 55.225 0.055 RESID 192 (A): CB 18.008 18.008 18.007 0.001 RESID 192 (A): H 8.141 8.141 8.632 -0.491 RESID 193 (E): N 114.548 114.548 120.578 -6.030 RESID 193 (E): C 176.764 176.764 179.016 -2.252 RESID 193 (E): CA 58.262 58.262 58.912 -0.650 RESID 193 (E): CB 29.342 29.342 29.402 -0.060 RESID 193 (E): H 7.595 7.595 8.533 -0.938 RESID 194 (L): N 117.659 117.659 120.119 -2.460 RESID 194 (L): C 176.904 176.904 179.328 -2.424 RESID 194 (L): CA 55.695 55.695 58.184 -2.489 RESID 194 (L): CB 41.655 41.655 41.312 0.343 RESID 194 (L): H 7.459 7.459 8.048 -0.589 RESID 195 (V): N 117.842 117.842 119.144 -1.302 RESID 195 (V): C 177.150 177.150 177.883 -0.733 RESID 195 (V): CA 64.054 64.054 66.531 -2.477 RESID 195 (V): CB 31.079 31.079 31.829 -0.750 RESID 195 (V): H 7.363 7.363 7.488 -0.125 RESID 196 (T): N 122.439 122.439 115.205 7.234 RESID 196 (T): C 175.055 175.055 176.594 -1.539 RESID 196 (T): CA 65.500 65.500 66.159 -0.659 RESID 196 (T): CB 69.490 69.490 68.577 0.913 RESID 196 (T): H 7.940 7.940 7.927 0.013 RESID 197 (Y): N 122.430 122.430 123.493 -1.063 RESID 197 (Y): C 177.152 177.152 177.041 0.111 RESID 197 (Y): CA 61.892 61.892 61.858 0.034 RESID 197 (Y): CB 38.085 38.085 38.369 -0.284 RESID 197 (Y): H 9.123 9.123 8.928 0.195 RESID 198 (D): N 117.750 117.750 118.975 -1.225 RESID 198 (D): C 177.696 177.696 178.244 -0.548 RESID 198 (D): CA 57.822 57.822 57.417 0.405 RESID 198 (D): CB 40.500 40.500 40.592 -0.092 RESID 198 (D): H 8.263 8.263 7.963 0.300 RESID 199 (L): N 120.698 120.698 118.519 2.179 RESID 199 (L): C 180.104 180.104 179.086 1.018 RESID 199 (L): CA 58.092 58.092 57.397 0.695 RESID 199 (L): CB 42.559 42.559 41.183 1.376 RESID 199 (L): H 7.636 7.636 7.432 0.204 RESID 200 (I): N 121.136 121.136 118.969 2.167 RESID 200 (I): C 176.919 176.919 177.493 -0.574 RESID 200 (I): CA 65.482 65.482 64.781 0.702 RESID 200 (I): CB 37.949 37.949 37.545 0.404 RESID 200 (I): H 7.718 7.718 7.241 0.477 RESID 201 (K): N 120.587 120.587 117.289 3.298 RESID 201 (K): C 177.696 177.696 178.789 -1.093 RESID 201 (K): CA 60.683 60.683 58.459 2.224 RESID 201 (K): CB 31.809 31.809 32.023 -0.214 RESID 201 (K): H 8.291 8.291 7.493 0.798 RESID 202 (D): N 117.936 117.936 117.064 0.872 RESID 202 (D): C 178.395 178.395 176.748 1.647 RESID 202 (D): CA 57.672 57.672 55.928 1.744 RESID 202 (D): CB 41.355 41.355 41.204 0.151 RESID 202 (D): H 8.182 8.182 7.833 0.349 RESID 203 (T): N 115.914 115.914 114.726 1.188 RESID 203 (T): CA 61.190 61.190 61.895 -0.705 RESID 203 (T): CB 68.738 68.738 69.682 -0.944 RESID 203 (T): H 7.690 7.690 7.910 -0.220 RESID 204 (L): C 176.047 176.047 175.878 0.169 RESID 204 (L): H 8.051 8.051 8.918 -0.867 RESID 205 (L): N 118.768 118.768 116.902 1.866 RESID 205 (L): C 179.871 179.871 176.847 3.024 RESID 205 (L): CA 55.867 55.867 53.958 1.909 RESID 205 (L): CB 41.887 41.887 41.849 0.038 RESID 205 (L): H 7.977 7.977 7.784 0.193 RESID 206 (K): N 119.775 119.775 119.938 -0.163 RESID 206 (K): C 177.318 177.318 176.738 0.580 RESID 206 (K): CA 58.461 58.461 58.410 0.051 RESID 206 (K): CB 32.734 32.734 32.320 0.414 RESID 206 (K): H 7.677 7.677 8.133 -0.456 RESID 207 (A): N 120.757 120.757 120.053 0.704 RESID 207 (A): C 176.531 176.531 177.498 -0.967 RESID 207 (A): CA 53.083 53.083 52.545 0.538 RESID 207 (A): CB 18.960 18.960 19.585 -0.626 RESID 207 (A): H 7.565 7.565 7.915 -0.350 RESID 208 (N): N 115.463 115.463 114.383 1.080 RESID 208 (N): C 174.822 174.822 174.078 0.744 RESID 208 (N): CA 54.351 54.351 53.218 1.133 RESID 208 (N): CB 38.160 38.160 37.970 0.190 RESID 208 (N): H 7.936 7.936 8.387 -0.451 RESID 212 (D): C 174.735 174.735 174.585 0.150 RESID 213 (D): N 116.363 116.363 120.218 -3.855 RESID 213 (D): C 175.553 175.553 177.416 -1.863 RESID 213 (D): CA 54.890 54.890 54.419 0.471 RESID 213 (D): CB 38.846 38.846 39.957 -1.111 RESID 213 (D): H 8.129 8.129 8.460 -0.331 RESID 214 (L): N 119.486 119.486 120.524 -1.038 RESID 214 (L): CA 59.766 59.766 59.048 0.718 RESID 214 (L): CB 39.579 39.579 39.988 -0.409 RESID 214 (L): H 7.821 7.821 8.294 -0.473 RESID 215 (P): C 177.971 177.971 178.598 -0.627 RESID 215 (P): CA 65.938 65.938 65.763 0.175 RESID 215 (P): CB 30.006 30.006 30.965 -0.959 RESID 216 (C): N 114.211 114.211 115.274 -1.063 RESID 216 (C): C 176.142 176.142 177.211 -1.069 RESID 216 (C): CA 58.773 58.773 62.109 -3.336 RESID 216 (C): CB 40.906 40.906 26.564 14.342 RESID 216 (C): H 8.269 8.269 8.350 -0.081 RESID 217 (H): N 120.491 120.491 120.610 -0.119 RESID 217 (H): C 176.747 176.747 177.333 -0.586 RESID 217 (H): CA 57.198 57.198 58.852 -1.654 RESID 217 (H): CB 29.886 29.886 29.244 0.642 RESID 217 (H): H 7.301 7.301 7.576 -0.275 RESID 218 (F): N 120.501 120.501 118.171 2.330 RESID 218 (F): C 176.187 176.187 177.757 -1.570 RESID 218 (F): CA 59.045 59.045 61.671 -2.626 RESID 218 (F): CB 38.901 38.901 38.574 0.327 RESID 218 (F): H 8.127 8.127 7.758 0.369 RESID 219 (T): N 112.682 112.682 112.426 0.256 RESID 219 (T): C 175.997 175.997 177.054 -1.057 RESID 219 (T): CA 64.319 64.319 66.374 -2.055 RESID 219 (T): CB 63.282 63.282 68.360 -5.078 RESID 219 (T): H 7.977 7.977 7.821 0.156 RESID 220 (S): N 117.589 117.589 118.196 -0.607 RESID 220 (S): C 175.055 175.055 176.407 -1.352 RESID 220 (S): CA 61.344 61.344 61.246 0.098 RESID 220 (S): CB 63.440 63.440 62.792 0.647 RESID 220 (S): H 8.004 8.004 7.699 0.305 RESID 221 (A): N 123.860 123.860 124.295 -0.435 RESID 221 (A): C 177.618 177.618 178.974 -1.356 RESID 221 (A): CA 53.932 53.932 55.055 -1.123 RESID 221 (A): CB 18.891 18.891 18.103 0.788 RESID 221 (A): H 7.704 7.704 7.476 0.228 RESID 222 (F): N 116.073 116.073 119.622 -3.549 RESID 222 (F): C 176.142 176.142 177.517 -1.375 RESID 222 (F): CA 58.271 58.271 61.197 -2.926 RESID 222 (F): CB 39.554 39.554 39.053 0.501 RESID 222 (F): H 7.718 7.718 8.021 -0.303 RESID 223 (G): N 108.578 108.578 106.460 2.118 RESID 223 (G): C 173.889 173.889 175.514 -1.625 RESID 223 (G): CA 45.993 45.993 47.036 -1.043 RESID 223 (G): H 7.909 7.909 8.117 -0.208 RESID 224 (A): N 123.322 123.322 124.768 -1.446 RESID 224 (A): C 178.550 178.550 179.686 -1.136 RESID 224 (A): CA 53.608 53.608 54.642 -1.034 RESID 224 (A): CB 19.069 19.069 18.353 0.716 RESID 224 (A): H 8.018 8.018 7.938 0.080 RESID 225 (G): N 107.935 107.935 107.585 0.350 RESID 225 (G): C 175.389 175.389 175.715 -0.326 RESID 225 (G): CA 46.967 46.967 46.908 0.059 RESID 225 (G): H 8.304 8.304 8.629 -0.325 RESID 226 (F): N 122.440 122.440 122.959 -0.519 RESID 226 (F): C 176.998 176.998 177.214 -0.216 RESID 226 (F): CA 60.673 60.673 60.286 0.387 RESID 226 (F): CB 38.319 38.319 39.435 -1.116 RESID 226 (F): H 8.045 8.045 7.904 0.141 RESID 227 (C): N 116.562 116.562 117.296 -0.734 RESID 227 (C): CA 61.301 61.301 62.135 -0.834 RESID 227 (C): CB 41.286 41.286 27.609 13.677 RESID 227 (C): H 8.016 8.016 7.919 0.097 RESID 228 (T): C 176.437 176.437 176.475 -0.038 RESID 228 (T): H 8.410 8.410 8.419 -0.009 RESID 229 (T): N 115.234 115.234 117.640 -2.406 RESID 229 (T): C 176.749 176.749 176.293 0.456 RESID 229 (T): CA 65.980 65.980 67.048 -1.068 RESID 229 (T): CB 67.443 67.443 68.201 -0.758 RESID 229 (T): H 8.188 8.188 7.991 0.197 RESID 230 (V): N 120.723 120.723 120.711 0.012 RESID 230 (V): C 177.983 177.983 177.519 0.464 RESID 230 (V): CA 66.832 66.832 65.595 1.237 RESID 230 (V): CB 31.168 31.168 31.381 -0.213 RESID 230 (V): H 8.027 8.027 7.120 0.907 RESID 231 (I): N 120.541 120.541 118.419 2.122 RESID 231 (I): C 177.368 177.368 177.624 -0.256 RESID 231 (I): CA 65.575 65.575 62.351 3.224 RESID 231 (I): CB 37.722 37.722 36.724 0.998 RESID 231 (I): H 8.458 8.458 7.270 1.188 RESID 232 (A): N 122.766 122.766 121.474 1.292 RESID 232 (A): C 178.847 178.847 179.833 -0.986 RESID 232 (A): CA 55.252 55.252 54.794 0.458 RESID 232 (A): CB 17.874 17.874 18.390 -0.516 RESID 232 (A): H 8.589 8.589 8.166 0.423 RESID 233 (S): N 113.387 113.387 114.529 -1.142 RESID 233 (S): CA 62.348 62.348 62.946 -0.598 RESID 233 (S): CB 61.630 61.630 61.822 -0.192 RESID 233 (S): H 8.218 8.218 8.045 0.173 RESID 234 (P): C 178.221 178.221 178.317 -0.096 RESID 235 (V): N 116.087 116.087 115.033 1.054 RESID 235 (V): C 177.089 177.089 177.552 -0.463 RESID 235 (V): CA 65.072 65.072 65.533 -0.461 RESID 235 (V): CB 31.084 31.084 31.154 -0.070 RESID 235 (V): H 8.142 8.142 7.357 0.785 RESID 236 (D): N 121.556 121.556 119.674 1.882 RESID 236 (D): C 177.422 177.422 178.253 -0.831 RESID 236 (D): CA 57.135 57.135 57.197 -0.062 RESID 236 (D): CB 40.065 40.065 40.769 -0.704 RESID 236 (D): H 7.932 7.932 7.400 0.532 RESID 237 (V): N 117.233 117.233 117.577 -0.344 RESID 237 (V): CA 64.977 64.977 65.511 -0.534 RESID 237 (V): CB 31.013 31.013 30.606 0.407 RESID 237 (V): H 7.710 7.710 7.461 0.249 RESID 238 (V): C 177.584 177.584 177.611 -0.027 RESID 238 (V): H 7.607 7.607 7.399 0.208 RESID 239 (K): N 120.095 120.095 118.293 1.802 RESID 239 (K): C 178.678 178.678 179.363 -0.685 RESID 239 (K): CA 58.483 58.483 58.939 -0.456 RESID 239 (K): CB 31.863 31.863 32.061 -0.198 RESID 239 (K): H 7.761 7.761 7.559 0.202 RESID 240 (T): N 115.247 115.247 114.402 0.845 RESID 240 (T): C 175.093 175.093 175.427 -0.334 RESID 240 (T): CA 66.458 66.458 65.065 1.393 RESID 240 (T): CB 68.011 68.011 68.945 -0.934 RESID 240 (T): H 7.761 7.761 7.584 0.177 RESID 241 (R): N 119.633 119.633 120.561 -0.928 RESID 241 (R): CA 57.133 57.133 57.723 -0.590 RESID 241 (R): CB 31.218 31.218 30.526 0.692 RESID 241 (R): H 7.383 7.383 7.467 -0.084 RESID 242 (Y): C 174.956 174.956 173.871 1.085 RESID 242 (Y): H 8.699 8.699 8.497 0.202 RESID 243 (M): N 118.458 118.458 121.152 -2.694 RESID 243 (M): C 175.676 175.676 175.114 0.562 RESID 243 (M): CA 54.417 54.417 55.245 -0.827 RESID 243 (M): H 7.442 7.442 7.946 -0.504 RESID 244 (N): N 116.369 116.369 118.561 -2.192 RESID 244 (N): C 174.919 174.919 173.868 1.051 RESID 244 (N): CA 59.470 59.470 53.280 6.190 RESID 244 (N): CB 39.079 39.079 38.121 0.958 RESID 244 (N): H 7.772 7.772 8.425 -0.653 RESID 245 (S): N 114.568 114.568 110.630 3.938 RESID 245 (S): C 175.695 175.695 172.694 3.001 RESID 245 (S): CA 53.852 53.852 58.643 -4.791 RESID 245 (S): CB 61.232 61.232 62.432 -1.200 RESID 245 (S): H 8.475 8.475 8.512 -0.037 RESID 246 (A): N 127.283 127.283 122.359 4.924 RESID 246 (A): C 177.128 177.128 177.007 0.121 RESID 246 (A): CA 56.803 56.803 51.790 5.013 RESID 246 (A): CB 18.901 18.901 19.134 -0.233 RESID 246 (A): H 7.929 7.929 7.997 -0.068 RESID 247 (L): N 118.112 118.112 119.386 -1.274 RESID 247 (L): C 176.723 176.723 177.676 -0.953 RESID 247 (L): CA 54.156 54.156 55.291 -1.135 RESID 247 (L): CB 41.215 41.215 42.552 -1.337 RESID 247 (L): H 7.922 7.922 7.831 0.091 RESID 248 (G): N 107.203 107.203 104.243 2.960 RESID 248 (G): CA 44.558 44.558 44.902 -0.344 RESID 248 (G): H 8.318 8.318 8.026 0.292 RESID 250 (Y): C 175.942 175.942 175.180 0.762 RESID 250 (Y): H 8.134 8.134 8.163 -0.029 RESID 251 (H): N 123.281 123.281 122.686 0.595 RESID 251 (H): C 174.531 174.531 175.205 -0.674 RESID 251 (H): CA 58.931 58.931 57.912 1.019 RESID 251 (H): CB 29.525 29.525 30.322 -0.797 RESID 251 (H): H 8.184 8.184 8.907 -0.723 RESID 252 (S): N 110.038 110.038 110.843 -0.805 RESID 252 (S): C 174.429 174.429 173.676 0.753 RESID 252 (S): CA 57.452 57.452 57.535 -0.083 RESID 252 (S): CB 65.022 65.022 65.911 -0.889 RESID 252 (S): H 8.010 8.010 7.814 0.196 RESID 253 (A): N 123.034 123.034 124.512 -1.478 RESID 253 (A): C 179.249 179.249 179.684 -0.435 RESID 253 (A): CA 54.981 54.981 55.258 -0.277 RESID 253 (A): CB 19.069 19.069 18.359 0.710 RESID 253 (A): H 8.034 8.034 8.639 -0.605 RESID 254 (G): N 106.379 106.379 105.973 0.406 RESID 254 (G): C 174.433 174.433 175.644 -1.211 RESID 254 (G): CA 47.615 47.615 46.799 0.816 RESID 254 (G): H 8.427 8.427 8.689 -0.262 RESID 255 (H): N 121.119 121.119 121.520 -0.401 RESID 255 (H): C 178.084 178.084 177.246 0.838 RESID 255 (H): CA 60.144 60.144 58.918 1.226 RESID 255 (H): CB 33.073 33.073 30.055 3.018 RESID 255 (H): H 8.304 8.304 8.455 -0.151 RESID 256 (C): N 117.946 117.946 118.566 -0.620 RESID 256 (C): C 175.453 175.453 176.335 -0.882 RESID 256 (C): CA 58.668 58.668 61.907 -3.239 RESID 256 (C): CB 41.434 41.434 26.179 15.255 RESID 256 (C): H 8.168 8.168 8.145 0.023 RESID 257 (A): N 123.138 123.138 123.131 0.007 RESID 257 (A): C 179.489 179.489 179.747 -0.258 RESID 257 (A): CA 54.589 54.589 55.434 -0.845 RESID 257 (A): CB 17.675 17.675 18.003 -0.328 RESID 257 (A): H 7.932 7.932 7.656 0.276 RESID 258 (L): N 119.779 119.779 118.455 1.324 RESID 258 (L): C 178.234 178.234 179.495 -1.261 RESID 258 (L): CA 56.967 56.967 57.995 -1.028 RESID 258 (L): CB 41.067 41.067 40.731 0.336 RESID 258 (L): H 7.681 7.681 7.743 -0.062 RESID 259 (T): N 114.552 114.552 116.649 -2.097 RESID 259 (T): C 176.244 176.244 176.699 -0.455 RESID 259 (T): CA 66.511 66.511 66.832 -0.321 RESID 259 (T): CB 67.274 67.274 68.726 -1.452 RESID 259 (T): H 7.855 7.855 7.692 0.163 RESID 260 (M): N 118.862 118.862 122.199 -3.337 RESID 260 (M): C 177.094 177.094 178.149 -1.055 RESID 260 (M): CA 58.532 58.532 58.374 0.158 RESID 260 (M): CB 32.288 32.288 31.622 0.665 RESID 260 (M): H 8.296 8.296 8.783 -0.487 RESID 261 (L): N 116.839 116.839 121.568 -4.729 RESID 261 (L): C 178.162 178.162 178.561 -0.399 RESID 261 (L): CA 58.167 58.167 58.445 -0.278 RESID 261 (L): CB 42.202 42.202 41.845 0.357 RESID 261 (L): H 8.053 8.053 8.461 -0.408 RESID 262 (R): N 116.821 116.821 117.498 -0.677 RESID 262 (R): CA 58.761 58.761 59.059 -0.298 RESID 262 (R): CB 30.825 30.825 30.228 0.597 RESID 262 (R): H 7.827 7.827 7.562 0.265 RESID 266 (P): C 177.152 177.152 178.115 -0.963 RESID 266 (P): CA 65.152 65.152 64.325 0.827 RESID 267 (R): N 117.739 117.739 118.074 -0.335 RESID 267 (R): C 177.463 177.463 177.841 -0.378 RESID 267 (R): CA 59.335 59.335 59.157 0.178 RESID 267 (R): CB 30.185 30.185 29.545 0.640 RESID 267 (R): H 8.072 8.072 8.052 0.020 RESID 268 (A): N 121.709 121.709 121.284 0.425 RESID 268 (A): C 179.251 179.251 178.207 1.044 RESID 268 (A): CA 54.631 54.631 54.489 0.142 RESID 268 (A): CB 18.683 18.683 18.355 0.328 RESID 268 (A): H 7.963 7.963 7.629 0.334 RESID 269 (F): N 117.096 117.096 116.214 0.882 RESID 269 (F): C 175.987 175.987 177.866 -1.879 RESID 269 (F): CA 61.037 61.037 61.106 -0.069 RESID 269 (F): CB 38.637 38.637 38.939 -0.302 RESID 269 (F): H 7.832 7.832 7.525 0.307 RESID 270 (Y): N 118.496 118.496 119.182 -0.686 RESID 270 (Y): C 176.250 176.250 176.067 0.183 RESID 270 (Y): CA 60.116 60.116 59.987 0.129 RESID 270 (Y): CB 38.882 38.882 38.839 0.043 RESID 270 (Y): H 7.813 7.813 7.632 0.181 RESID 271 (K): N 119.458 119.458 119.254 0.204 RESID 271 (K): C 177.696 177.696 175.885 1.811 RESID 271 (K): CA 57.192 57.192 56.097 1.095 RESID 271 (K): CB 32.734 32.734 33.175 -0.441 RESID 271 (K): H 7.864 7.864 7.869 -0.005 RESID 272 (G): N 106.217 106.217 107.589 -1.372 RESID 272 (G): C 173.967 173.967 173.225 0.742 RESID 272 (G): CA 46.117 46.117 45.578 0.539 RESID 272 (G): H 7.622 7.622 8.375 -0.753 RESID 273 (F): N 118.847 118.847 117.441 1.406 RESID 273 (F): C 175.055 175.055 174.895 0.160 RESID 273 (F): CA 57.721 57.721 57.464 0.258 RESID 273 (F): CB 40.183 40.183 39.055 1.128 RESID 273 (F): H 7.677 7.677 7.563 0.114 RESID 277 (F): C 176.602 176.602 177.124 -0.522 RESID 277 (F): CA 61.838 61.838 61.526 0.312 RESID 277 (F): CB 39.537 39.537 39.276 0.261 RESID 277 (F): H 7.695 7.695 8.278 -0.583 RESID 278 (L): N 118.465 118.465 120.148 -1.683 RESID 278 (L): C 177.152 177.152 178.533 -1.381 RESID 278 (L): CA 56.115 56.115 58.373 -2.258 RESID 278 (L): CB 42.398 42.398 41.890 0.508 RESID 278 (L): H 8.104 8.104 8.212 -0.108 RESID 279 (R): N 118.749 118.749 118.932 -0.183 RESID 279 (R): C 176.608 176.608 178.832 -2.224 RESID 279 (R): CA 56.938 56.938 59.692 -2.754 RESID 279 (R): CB 30.659 30.659 30.038 0.621 RESID 279 (R): H 7.472 7.472 7.972 -0.500 RESID 280 (L): N 120.305 120.305 120.224 0.081 RESID 280 (L): C 177.540 177.540 178.523 -0.983 RESID 280 (L): CA 57.094 57.094 58.172 -1.078 RESID 280 (L): CB 42.027 42.027 40.959 1.068 RESID 280 (L): H 7.690 7.690 8.176 -0.486 RESID 281 (G): N 106.837 106.837 107.171 -0.334 RESID 281 (G): C 174.045 174.045 176.006 -1.961 RESID 281 (G): CA 46.967 46.967 47.240 -0.273 RESID 281 (G): H 7.881 7.881 7.773 0.108 RESID 282 (S): N 115.531 115.531 118.658 -3.127 RESID 282 (S): C 174.123 174.123 176.309 -2.186 RESID 282 (S): CA 58.796 58.796 62.238 -3.442 RESID 282 (S): CB 58.975 58.975 63.193 -4.218 RESID 282 (S): H 7.813 7.813 7.532 0.281 RESID 283 (W): N 122.851 122.851 123.143 -0.292 RESID 283 (W): C 176.142 176.142 177.532 -1.390 RESID 283 (W): CA 59.221 59.221 60.984 -1.763 RESID 283 (W): CB 30.446 30.446 29.483 0.963 RESID 283 (W): H 8.186 8.186 8.644 -0.458 RESID 284 (N): N 118.459 118.459 117.735 0.724 RESID 284 (N): CA 55.325 55.325 56.028 -0.703 RESID 284 (N): CB 39.504 39.504 37.857 1.647 RESID 284 (N): H 8.127 8.127 8.018 0.109 RESID 285 (V): C 177.263 177.263 177.374 -0.111 RESID 285 (V): H 7.854 7.854 7.402 0.452 RESID 286 (V): N 119.883 119.883 116.156 3.727 RESID 286 (V): C 177.072 177.072 177.470 -0.398 RESID 286 (V): CA 64.717 64.717 65.449 -0.732 RESID 286 (V): CB 29.553 29.553 31.212 -1.659 RESID 286 (V): H 7.483 7.483 7.007 0.476 RESID 287 (M): N 120.401 120.401 119.495 0.906 RESID 287 (M): C 177.594 177.594 177.591 0.003 RESID 287 (M): CA 57.654 57.654 57.568 0.086 RESID 287 (M): CB 31.592 31.592 31.932 -0.340 RESID 287 (M): H 8.118 8.118 7.097 1.021 RESID 288 (F): N 122.234 122.234 119.230 3.004 RESID 288 (F): C 176.498 176.498 177.504 -1.006 RESID 288 (F): CA 61.766 61.766 61.712 0.055 RESID 288 (F): CB 39.031 39.031 38.976 0.055 RESID 288 (F): H 7.878 7.878 7.541 0.337 RESID 289 (V): N 118.907 118.907 118.049 0.858 RESID 289 (V): CA 64.566 64.566 66.906 -2.340 RESID 289 (V): CB 30.544 30.544 31.389 -0.845 RESID 289 (V): H 7.913 7.913 7.703 0.210 RESID 290 (T): C 175.376 175.376 176.560 -1.184 RESID 290 (T): H 8.095 8.095 7.508 0.587 RESID 291 (Y): N 118.029 118.029 121.371 -3.342 RESID 291 (Y): C 176.919 176.919 177.775 -0.856 RESID 291 (Y): CA 61.717 61.717 59.845 1.872 RESID 291 (Y): CB 38.020 38.020 37.414 0.606 RESID 291 (Y): H 7.986 7.986 7.619 0.367 RESID 292 (E): N 118.005 118.005 119.137 -1.132 RESID 292 (E): C 176.686 176.686 178.703 -2.017 RESID 292 (E): CA 60.084 60.084 59.629 0.455 RESID 292 (E): CB 29.443 29.443 29.102 0.341 RESID 292 (E): H 8.359 8.359 7.973 0.386 RESID 293 (Q): N 118.746 118.746 118.503 0.243 RESID 293 (Q): C 176.210 176.210 178.198 -1.988 RESID 293 (Q): CA 58.986 58.986 58.523 0.463 RESID 293 (Q): CB 28.784 28.784 28.159 0.625 RESID 293 (Q): H 7.704 7.704 7.542 0.162 RESID 294 (L): N 120.970 120.970 118.970 2.000 RESID 294 (L): C 178.084 178.084 178.487 -0.403 RESID 294 (L): CA 58.741 58.741 56.753 1.988 RESID 294 (L): CB 41.451 41.451 41.568 -0.117 RESID 294 (L): H 7.995 7.995 7.400 0.595 RESID 295 (K): N 117.756 117.756 117.711 0.045 RESID 295 (K): CA 59.048 59.048 58.171 0.877 RESID 295 (K): CB 31.871 31.871 33.017 -1.146 RESID 295 (K): H 7.731 7.731 7.725 0.006 RESID 296 (R): H 7.895 7.895 7.684 0.211 RESID 297 (A): C 176.488 176.488 177.709 -1.221 RESID 297 (A): H 8.223 8.223 8.342 -0.119 RESID 298 (L): N 117.376 117.376 119.402 -2.026 RESID 298 (L): C 178.628 178.628 177.087 1.541 RESID 298 (L): CA 58.217 58.217 56.008 2.209 RESID 298 (L): CB 41.905 41.905 41.640 0.265 RESID 298 (L): H 7.947 7.947 8.358 -0.411 RESID 299 (M): N 127.376 127.376 116.325 11.051 RESID 299 (M): C 178.472 178.472 175.315 3.157 RESID 299 (M): CA 58.461 58.461 55.826 2.635 RESID 299 (M): CB 32.110 32.110 31.612 0.498 RESID 299 (M): H 8.182 8.182 7.688 0.494 RESID 300 (A): N 121.854 121.854 122.036 -0.182 RESID 300 (A): C 180.197 180.197 176.556 3.641 RESID 300 (A): CA 55.617 55.617 51.519 4.098 RESID 300 (A): CB 18.215 18.215 20.241 -2.026 RESID 300 (A): H 7.841 7.841 7.953 -0.112 RESID 301 (A): N 121.224 121.224 128.821 -7.597 RESID 301 (A): C 178.939 178.939 178.534 0.405 RESID 301 (A): CA 55.186 55.186 54.299 0.887 RESID 301 (A): CB 18.735 18.735 19.139 -0.404 RESID 301 (A): H 7.872 7.872 8.754 -0.882 RESID 302 (Y): N 118.183 118.183 119.779 -1.596 RESID 302 (Y): C 176.841 176.841 177.571 -0.730 RESID 302 (Y): CA 60.868 60.868 61.544 -0.676 RESID 302 (Y): CB 39.344 39.344 37.935 1.409 RESID 302 (Y): H 8.100 8.100 8.584 -0.484 RESID 303 (Q): N 117.243 117.243 117.656 -0.413 RESID 303 (Q): C 176.997 176.997 178.698 -1.701 RESID 303 (Q): CA 58.787 58.787 58.876 -0.089 RESID 303 (Q): CB 29.216 29.216 28.091 1.125 RESID 303 (Q): H 8.059 8.059 8.590 -0.531 RESID 304 (S): N 114.721 114.721 115.087 -0.366 RESID 304 (S): C 174.511 174.511 175.828 -1.317 RESID 304 (S): CA 59.720 59.720 61.420 -1.700 RESID 304 (S): CB 63.896 63.896 63.005 0.891 RESID 304 (S): H 7.718 7.718 7.962 -0.244 RESID 305 (R): N 121.401 121.401 121.579 -0.178 RESID 305 (R): C 175.521 175.521 177.890 -2.369 RESID 305 (R): CA 59.639 59.639 58.549 1.090 RESID 305 (R): CB 30.568 30.568 30.464 0.104 RESID 305 (R): H 7.609 7.609 8.178 -0.569 RESID 306 (E): N 120.090 120.090 117.211 2.879 RESID 306 (E): C 177.648 177.648 179.039 -1.391 RESID 306 (E): CA 59.624 59.624 58.670 0.954 RESID 306 (E): CB 30.362 30.362 29.514 0.848 RESID 306 (E): H 7.909 7.909 7.630 0.279 RESID 307 (A): N 121.234 121.234 123.833 -2.599 RESID 307 (A): C 176.014 176.014 177.103 -1.089 RESID 307 (A): CA 56.844 56.844 55.656 1.188 RESID 307 (A): CB 17.735 17.735 16.929 0.806 RESID 307 (A): H 7.760 7.760 7.656 0.104 N HA C CA CB H RESID 16 (K): 0.515 ----- -2.279 0.110 0.578 -0.593 RESID 17 (F): -1.771 ----- -2.019 -0.684 0.837 -0.179 RESID 18 (L): -0.952 ----- -0.572 -1.520 0.944 -0.380 RESID 19 (G): 0.711 ----- -0.562 -1.636 ----- -0.578 RESID 20 (A): 0.396 ----- 0.015 0.134 0.877 0.280 RESID 21 (G): 0.916 ----- -0.535 -0.477 ----- 0.558 RESID 22 (T): 0.905 ----- -0.327 0.562 0.233 -0.436 RESID 23 (A): -0.493 ----- -0.368 0.572 0.162 0.767 RESID 24 (A): -0.353 ----- -0.170 0.146 0.296 -0.292 RESID 25 (C): -0.891 ----- -0.522 -5.627 13.923 0.239 RESID 26 (I): 0.124 ----- -0.357 0.903 1.189 0.540 RESID 27 (A): -2.025 ----- -0.123 0.318 0.116 0.213 RESID 28 (D): -1.008 ----- -0.508 0.205 -0.116 0.016 RESID 29 (L): -0.914 ----- -0.803 -1.255 1.032 0.323 RESID 30 (I): -3.870 ----- -0.274 -2.643 0.305 0.339 RESID 31 (T): -2.055 ----- -1.575 -0.526 0.215 0.490 RESID 32 (F): -0.190 ----- ----- -5.021 2.278 -0.722 RESID 33 (P): ----- ----- 0.289 -2.113 3.885 ----- RESID 34 (L): 6.340 ----- -2.250 -2.218 1.847 1.523 RESID 35 (D): 3.095 ----- -0.704 -3.130 0.180 0.612 RESID 36 (T): 4.050 ----- 0.739 -0.740 0.358 0.439 RESID 37 (A): 1.257 ----- -0.567 0.364 0.477 0.453 RESID 38 (K): -0.525 ----- -0.004 -0.217 0.398 0.191 RESID 39 (V): 2.597 ----- 0.043 0.199 2.969 0.136 RESID 40 (R): 0.825 ----- -0.318 2.466 -0.035 0.254 RESID 41 (L): -1.405 ----- ----- -0.309 -0.168 -0.066 RESID 49 (G): ----- ----- -0.129 ----- ----- ----- RESID 50 (L): 2.023 ----- -0.006 -0.354 -0.290 0.098 RESID 51 (V): -0.218 ----- -0.409 -0.608 -0.612 0.003 RESID 52 (R): 4.166 ----- ----- 0.370 -0.530 -0.108 RESID 53 (T): ----- ----- -0.170 ----- ----- 0.476 RESID 54 (A): -2.583 ----- -1.132 -0.838 -0.655 -0.257 RESID 55 (A): -10.724 ----- 0.784 -0.676 0.026 -1.298 RESID 56 (S): 12.028 ----- 0.995 2.422 -0.634 0.201 RESID 57 (A): -2.010 ----- ----- 1.040 -0.282 0.069 RESID 59 (Y): ----- ----- 1.659 ----- ----- ----- RESID 60 (R): 1.211 ----- 1.048 1.029 0.540 -0.311 RESID 61 (G): 0.748 ----- 0.770 1.674 ----- -0.042 RESID 62 (V): -2.971 ----- 0.254 1.655 0.262 -0.394 RESID 63 (L): 1.025 ----- -0.783 0.653 1.378 -0.228 RESID 64 (G): -0.371 ----- 0.417 0.522 ----- 0.367 RESID 65 (T): 1.597 ----- -0.034 0.087 0.522 0.437 RESID 66 (I): 2.064 ----- -0.048 3.134 1.673 0.580 RESID 67 (L): -0.076 ----- 0.416 0.211 -0.081 0.710 RESID 68 (T): 0.179 ----- 0.015 0.487 0.763 0.747 RESID 69 (M): 1.391 ----- -0.447 0.495 0.464 0.358 RESID 70 (V): 1.184 ----- -0.653 0.947 -0.521 0.159 RESID 71 (R): 0.484 ----- -0.920 0.580 0.583 0.311 RESID 72 (T): -3.586 ----- -0.379 -1.009 1.172 0.087 RESID 73 (E): 1.312 ----- 1.211 0.817 -0.560 0.246 RESID 74 (G): -1.066 ----- ----- 0.595 ----- 0.294 RESID 75 (P): ----- ----- -1.002 1.172 0.142 ----- RESID 76 (R): 2.773 ----- 0.277 1.969 0.929 -0.219 RESID 77 (S): 1.147 ----- 1.500 0.485 -0.375 0.097 RESID 78 (L): 1.445 ----- -0.322 1.158 -0.010 -0.018 RESID 79 (Y): 4.037 ----- 1.456 2.204 0.272 0.134 RESID 80 (N): 0.670 ----- 2.682 0.321 -1.325 1.100 RESID 81 (G): -4.383 ----- 0.527 0.425 ----- -0.697 RESID 82 (L): 3.460 ----- 0.468 0.707 1.828 0.135 RESID 83 (V): -1.168 ----- 1.068 -0.362 0.381 -0.065 RESID 84 (A): -0.027 ----- 1.075 0.683 -0.128 0.440 RESID 85 (G): -0.838 ----- -0.821 0.752 ----- 0.269 RESID 86 (L): -0.866 ----- 0.182 0.408 0.221 0.650 RESID 87 (Q): 0.331 ----- -0.357 -1.061 0.766 0.096 RESID 88 (R): -1.224 ----- -0.983 -1.387 1.054 0.258 RESID 89 (Q): -0.236 ----- -0.840 -1.337 0.875 0.353 RESID 90 (M): -1.876 ----- -0.778 -1.611 1.060 -0.457 RESID 91 (S): 0.452 ----- -0.930 -2.918 1.696 -0.041 RESID 92 (F): -1.248 ----- 1.044 -2.505 -0.096 0.756 RESID 93 (A): 3.173 ----- -0.193 0.448 -0.362 0.531 RESID 94 (S): -1.899 ----- 0.060 -0.869 0.397 0.457 RESID 95 (V): 0.141 ----- -0.930 -1.196 0.039 -0.542 RESID 96 (R): 2.269 ----- -0.107 1.229 1.208 0.738 RESID 97 (I): 1.133 ----- 0.939 1.179 0.166 0.401 RESID 98 (G): 1.635 ----- 1.084 0.866 ----- 0.454 RESID 99 (L): 2.618 ----- 0.129 1.384 1.354 0.747 RESID 100 (Y): -1.248 ----- -0.039 -0.555 0.108 0.157 RESID 101 (D): 0.905 ----- 0.464 0.909 0.086 -0.157 RESID 102 (S): 0.840 ----- -0.712 0.820 0.864 0.067 RESID 103 (V): 3.637 ----- -0.024 1.557 0.883 0.479 RESID 104 (K): -0.078 ----- -0.257 0.148 -0.272 0.794 RESID 105 (Q): 0.706 ----- -1.140 0.712 -0.395 -0.336 RESID 106 (F): -0.064 ----- 0.568 -0.056 -0.334 0.064 RESID 107 (Y): 2.048 ----- -0.288 0.442 -2.238 0.457 RESID 108 (T): -0.898 ----- -0.314 1.338 1.179 0.133 RESID 113 (H): ----- ----- -0.529 ----- ----- -0.771 RESID 114 (A): 0.271 ----- 1.752 1.265 -0.163 0.769 RESID 115 (G): 3.930 ----- -0.062 0.589 ----- 0.053 RESID 116 (I): -1.126 ----- -0.864 -1.142 1.137 -0.018 RESID 117 (G): 4.069 ----- -1.859 -0.510 ----- 0.143 RESID 118 (S): -1.325 ----- -1.038 -1.222 0.934 -0.057 RESID 119 (R): 0.868 ----- -0.237 -1.812 0.438 -0.549 RESID 120 (L): -1.962 ----- -1.598 -0.162 0.141 -0.040 RESID 121 (L): -0.315 ----- -1.966 -2.525 0.784 -0.702 RESID 122 (A): 1.067 ----- -1.541 -1.978 0.982 -1.084 RESID 123 (G): 1.116 ----- 0.407 -1.221 ----- -0.855 RESID 124 (S): -2.218 ----- -1.289 -2.718 1.000 -0.322 RESID 125 (T): -2.641 ----- -0.711 0.316 0.849 -0.128 RESID 126 (T): -3.385 ----- 0.787 -1.861 0.117 -0.727 RESID 127 (G): 6.664 ----- -0.867 -0.663 ----- -0.038 RESID 128 (A): -0.748 ----- -1.255 -1.379 0.593 0.453 RESID 129 (L): 1.447 ----- -1.175 -1.487 1.270 0.345 RESID 130 (A): 1.735 ----- -1.791 -1.819 0.717 -0.299 RESID 131 (V): 0.133 ----- -1.732 -2.178 1.941 -0.399 RESID 132 (A): 1.532 ----- 0.249 -0.945 0.325 0.365 RESID 133 (V): -5.237 ----- -0.847 1.179 -0.607 -0.466 RESID 134 (A): 2.729 ----- ----- 3.622 ----- 0.139 RESID 136 (P): ----- ----- -1.283 ----- ----- ----- RESID 137 (T): 5.175 ----- -2.199 -1.508 1.645 -0.154 RESID 138 (D): 0.518 ----- -0.009 -0.148 0.208 0.475 RESID 139 (V): -0.006 ----- -0.659 0.052 1.343 -0.117 RESID 140 (V): -0.061 ----- -1.378 0.636 0.814 0.105 RESID 141 (K): 0.426 ----- -2.771 -4.083 -0.753 0.146 RESID 142 (V): 4.708 ----- ----- -2.418 ----- 0.373 RESID 143 (R): ----- ----- -0.434 ----- ----- 0.172 RESID 144 (F): -0.292 ----- 1.609 0.684 ----- -0.273 RESID 145 (Q): 7.471 ----- -2.712 -1.369 1.561 0.369 RESID 146 (A): 0.299 ----- 0.335 0.305 -0.622 0.493 RESID 147 (Q): 0.642 ----- 0.879 -0.388 0.849 0.481 RESID 148 (A): -4.050 ----- -0.797 0.065 0.061 -0.281 RESID 149 (R): -0.739 ----- ----- 1.963 2.331 -0.162 RESID 159 (T): ----- ----- -0.233 ----- ----- ----- RESID 160 (V): -2.569 ----- 0.558 -1.348 -0.180 0.045 RESID 161 (E): 2.199 ----- 0.184 -0.062 0.349 -0.244 RESID 162 (A): -0.408 ----- 0.601 -0.186 -0.455 -0.973 RESID 163 (Y): -0.776 ----- -0.491 0.894 -0.427 -0.047 RESID 164 (K): 1.725 ----- -0.919 1.569 0.620 0.880 RESID 165 (T): -1.613 ----- -1.072 0.170 0.608 -0.248 RESID 166 (I): 0.767 ----- -0.021 1.188 1.643 0.051 RESID 167 (A): -0.653 ----- -1.795 -0.137 0.373 0.237 RESID 168 (R): -2.950 ----- -1.058 -0.211 0.802 -0.170 RESID 169 (E): 1.221 ----- -0.436 -0.233 0.477 0.350 RESID 170 (E): 1.090 ----- 0.969 0.684 0.225 0.185 RESID 171 (G): 1.695 ----- -0.540 0.633 ----- 0.224 RESID 172 (I): -0.741 ----- 0.091 1.170 0.549 0.188 RESID 173 (R): -0.511 ----- -0.042 -0.395 0.219 -0.362 RESID 174 (G): -0.033 ----- -1.043 0.156 ----- -0.390 RESID 175 (L): -1.944 ----- -0.565 -0.253 0.114 0.204 RESID 176 (W): -1.394 ----- -0.604 -0.806 1.167 -0.607 RESID 177 (K): 0.293 ----- -1.057 -1.905 0.832 0.073 RESID 178 (G): 4.520 ----- -1.443 0.315 ----- -0.297 RESID 179 (T): -3.210 ----- -1.078 -0.513 1.587 -0.198 RESID 180 (S): 2.308 ----- ----- -0.856 0.161 0.475 RESID 182 (N): ----- ----- -0.368 ----- ----- ----- RESID 183 (V): -1.758 ----- -0.553 -1.063 0.950 0.359 RESID 184 (A): 0.849 ----- -0.807 0.215 10.134 0.646 RESID 185 (R): -1.948 ----- -0.540 -0.056 -0.257 -0.527 RESID 186 (N): -0.323 ----- -0.682 0.692 0.940 0.269 RESID 187 (A): -1.822 ----- -0.860 0.497 -0.559 -0.153 RESID 188 (I): 0.327 ----- -1.595 0.385 0.718 -0.100 RESID 189 (V): -1.062 ----- -0.280 -1.731 0.293 -0.486 RESID 190 (N): -1.110 ----- -1.067 0.844 -0.025 0.027 RESID 191 (C): 0.423 ----- -0.326 -2.379 14.895 -0.330 RESID 192 (A): -0.156 ----- -0.945 0.055 0.001 -0.491 RESID 193 (E): -6.030 ----- -2.252 -0.650 -0.060 -0.938 RESID 194 (L): -2.460 ----- -2.424 -2.489 0.343 -0.589 RESID 195 (V): -1.302 ----- -0.733 -2.477 -0.750 -0.125 RESID 196 (T): 7.234 ----- -1.539 -0.659 0.913 0.013 RESID 197 (Y): -1.063 ----- 0.111 0.034 -0.284 0.195 RESID 198 (D): -1.225 ----- -0.548 0.405 -0.092 0.300 RESID 199 (L): 2.179 ----- 1.018 0.695 1.376 0.204 RESID 200 (I): 2.167 ----- -0.574 0.702 0.404 0.477 RESID 201 (K): 3.298 ----- -1.093 2.224 -0.214 0.798 RESID 202 (D): 0.872 ----- 1.647 1.744 0.151 0.349 RESID 203 (T): 1.188 ----- ----- -0.705 -0.944 -0.220 RESID 204 (L): ----- ----- 0.169 ----- ----- -0.867 RESID 205 (L): 1.866 ----- 3.024 1.909 0.038 0.193 RESID 206 (K): -0.163 ----- 0.580 0.051 0.414 -0.456 RESID 207 (A): 0.704 ----- -0.967 0.538 -0.626 -0.350 RESID 208 (N): 1.080 ----- 0.744 1.133 0.190 -0.451 RESID 212 (D): ----- ----- 0.150 ----- ----- ----- RESID 213 (D): -3.855 ----- -1.863 0.471 -1.111 -0.331 RESID 214 (L): -1.038 ----- ----- 0.718 -0.409 -0.473 RESID 215 (P): ----- ----- -0.627 0.175 -0.959 ----- RESID 216 (C): -1.063 ----- -1.069 -3.336 14.342 -0.081 RESID 217 (H): -0.119 ----- -0.586 -1.654 0.642 -0.275 RESID 218 (F): 2.330 ----- -1.570 -2.626 0.327 0.369 RESID 219 (T): 0.256 ----- -1.057 -2.055 -5.078 0.156 RESID 220 (S): -0.607 ----- -1.352 0.098 0.647 0.305 RESID 221 (A): -0.435 ----- -1.356 -1.123 0.788 0.228 RESID 222 (F): -3.549 ----- -1.375 -2.926 0.501 -0.303 RESID 223 (G): 2.118 ----- -1.625 -1.043 ----- -0.208 RESID 224 (A): -1.446 ----- -1.136 -1.034 0.716 0.080 RESID 225 (G): 0.350 ----- -0.326 0.059 ----- -0.325 RESID 226 (F): -0.519 ----- -0.216 0.387 -1.116 0.141 RESID 227 (C): -0.734 ----- ----- -0.834 13.677 0.097 RESID 228 (T): ----- ----- -0.038 ----- ----- -0.009 RESID 229 (T): -2.406 ----- 0.456 -1.068 -0.758 0.197 RESID 230 (V): 0.012 ----- 0.464 1.237 -0.213 0.907 RESID 231 (I): 2.122 ----- -0.256 3.224 0.998 1.188 RESID 232 (A): 1.292 ----- -0.986 0.458 -0.516 0.423 RESID 233 (S): -1.142 ----- ----- -0.598 -0.192 0.173 RESID 234 (P): ----- ----- -0.096 ----- ----- ----- RESID 235 (V): 1.054 ----- -0.463 -0.461 -0.070 0.785 RESID 236 (D): 1.882 ----- -0.831 -0.062 -0.704 0.532 RESID 237 (V): -0.344 ----- ----- -0.534 0.407 0.249 RESID 238 (V): ----- ----- -0.027 ----- ----- 0.208 RESID 239 (K): 1.802 ----- -0.685 -0.456 -0.198 0.202 RESID 240 (T): 0.845 ----- -0.334 1.393 -0.934 0.177 RESID 241 (R): -0.928 ----- ----- -0.590 0.692 -0.084 RESID 242 (Y): ----- ----- 1.085 ----- ----- 0.202 RESID 243 (M): -2.694 ----- 0.562 -0.827 ----- -0.504 RESID 244 (N): -2.192 ----- 1.051 6.190 0.958 -0.653 RESID 245 (S): 3.938 ----- 3.001 -4.791 -1.200 -0.037 RESID 246 (A): 4.924 ----- 0.121 5.013 -0.233 -0.068 RESID 247 (L): -1.274 ----- -0.953 -1.135 -1.337 0.091 RESID 248 (G): 2.960 ----- ----- -0.344 ----- 0.292 RESID 250 (Y): ----- ----- 0.762 ----- ----- -0.029 RESID 251 (H): 0.595 ----- -0.674 1.019 -0.797 -0.723 RESID 252 (S): -0.805 ----- 0.753 -0.083 -0.889 0.196 RESID 253 (A): -1.478 ----- -0.435 -0.277 0.710 -0.605 RESID 254 (G): 0.406 ----- -1.211 0.816 ----- -0.262 RESID 255 (H): -0.401 ----- 0.838 1.226 3.018 -0.151 RESID 256 (C): -0.620 ----- -0.882 -3.239 15.255 0.023 RESID 257 (A): 0.007 ----- -0.258 -0.845 -0.328 0.276 RESID 258 (L): 1.324 ----- -1.261 -1.028 0.336 -0.062 RESID 259 (T): -2.097 ----- -0.455 -0.321 -1.452 0.163 RESID 260 (M): -3.337 ----- -1.055 0.158 0.665 -0.487 RESID 261 (L): -4.729 ----- -0.399 -0.278 0.357 -0.408 RESID 262 (R): -0.677 ----- ----- -0.298 0.597 0.265 RESID 266 (P): ----- ----- -0.963 0.827 ----- ----- RESID 267 (R): -0.335 ----- -0.378 0.178 0.640 0.020 RESID 268 (A): 0.425 ----- 1.044 0.142 0.328 0.334 RESID 269 (F): 0.882 ----- -1.879 -0.069 -0.302 0.307 RESID 270 (Y): -0.686 ----- 0.183 0.129 0.043 0.181 RESID 271 (K): 0.204 ----- 1.811 1.095 -0.441 -0.005 RESID 272 (G): -1.372 ----- 0.742 0.539 ----- -0.753 RESID 273 (F): 1.406 ----- 0.160 0.258 1.128 0.114 RESID 277 (F): ----- ----- -0.522 0.312 0.261 -0.583 RESID 278 (L): -1.683 ----- -1.381 -2.258 0.508 -0.108 RESID 279 (R): -0.183 ----- -2.224 -2.754 0.621 -0.500 RESID 280 (L): 0.081 ----- -0.983 -1.078 1.068 -0.486 RESID 281 (G): -0.334 ----- -1.961 -0.273 ----- 0.108 RESID 282 (S): -3.127 ----- -2.186 -3.442 -4.218 0.281 RESID 283 (W): -0.292 ----- -1.390 -1.763 0.963 -0.458 RESID 284 (N): 0.724 ----- ----- -0.703 1.647 0.109 RESID 285 (V): ----- ----- -0.111 ----- ----- 0.452 RESID 286 (V): 3.727 ----- -0.398 -0.732 -1.659 0.476 RESID 287 (M): 0.906 ----- 0.003 0.086 -0.340 1.021 RESID 288 (F): 3.004 ----- -1.006 0.055 0.055 0.337 RESID 289 (V): 0.858 ----- ----- -2.340 -0.845 0.210 RESID 290 (T): ----- ----- -1.184 ----- ----- 0.587 RESID 291 (Y): -3.342 ----- -0.856 1.872 0.606 0.367 RESID 292 (E): -1.132 ----- -2.017 0.455 0.341 0.386 RESID 293 (Q): 0.243 ----- -1.988 0.463 0.625 0.162 RESID 294 (L): 2.000 ----- -0.403 1.988 -0.117 0.595 RESID 295 (K): 0.045 ----- ----- 0.877 -1.146 0.006 RESID 296 (R): ----- ----- ----- ----- ----- 0.211 RESID 297 (A): ----- ----- -1.221 ----- ----- -0.119 RESID 298 (L): -2.026 ----- 1.541 2.209 0.265 -0.411 RESID 299 (M): 11.051 ----- 3.157 2.635 0.498 0.494 RESID 300 (A): -0.182 ----- 3.641 4.098 -2.026 -0.112 RESID 301 (A): -7.597 ----- 0.405 0.887 -0.404 -0.882 RESID 302 (Y): -1.596 ----- -0.730 -0.676 1.409 -0.484 RESID 303 (Q): -0.413 ----- -1.701 -0.089 1.125 -0.531 RESID 304 (S): -0.366 ----- -1.317 -1.700 0.891 -0.244 RESID 305 (R): -0.178 ----- -2.369 1.090 0.104 -0.569 RESID 306 (E): 2.879 ----- -1.391 0.954 0.848 0.279 RESID 307 (A): -2.599 ----- -1.089 1.188 0.806 0.104 DATA CS_STAT_INFO N RMS: 2.513 ppm Count: 236 Average Difference: -0.164 +/- 2.513 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.109 ppm Count: 239 Average Difference: 0.376 +/- 1.045 ppm DATA CS_STAT_INFO CA RMS: 1.546 ppm Count: 241 Average Difference: 0.117 +/- 1.544 ppm DATA CS_STAT_INFO CB RMS: 2.514 ppm Count: 215 Average Difference: -0.652 +/- 2.433 ppm DATA CS_STAT_INFO HN RMS: 0.436 ppm Count: 249 Average Difference: -0.044 +/- 0.434 ppm ############################################################################ For conformer 8: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 125.105 -2.010 RESID 15 (V): C 176.453 176.453 176.338 0.115 RESID 15 (V): CA 63.979 63.979 60.866 3.113 RESID 15 (V): CB 32.507 32.507 35.568 -3.061 RESID 15 (V): H 8.053 8.053 8.465 -0.412 RESID 16 (K): N 123.075 123.075 125.721 -2.646 RESID 16 (K): C 176.841 176.841 179.027 -2.186 RESID 16 (K): CA 59.762 59.762 59.608 0.154 RESID 16 (K): CB 32.751 32.751 32.521 0.230 RESID 16 (K): H 8.059 8.059 8.801 -0.742 RESID 17 (F): N 118.838 118.838 120.592 -1.754 RESID 17 (F): C 175.443 175.443 177.274 -1.831 RESID 17 (F): CA 59.915 59.915 60.478 -0.563 RESID 17 (F): CB 39.659 39.659 38.819 0.840 RESID 17 (F): H 7.909 7.909 8.072 -0.163 RESID 18 (L): N 119.089 119.089 120.241 -1.152 RESID 18 (L): C 177.195 177.195 177.577 -0.382 RESID 18 (L): CA 55.385 55.385 56.577 -1.192 RESID 18 (L): CB 42.905 42.905 41.712 1.193 RESID 18 (L): H 7.814 7.814 8.127 -0.313 RESID 19 (G): N 108.484 108.484 107.790 0.694 RESID 19 (G): C 174.967 174.967 175.506 -0.539 RESID 19 (G): CA 45.518 45.518 47.096 -1.579 RESID 19 (G): H 8.032 8.032 8.295 -0.263 RESID 20 (A): N 124.208 124.208 123.796 0.412 RESID 20 (A): C 179.405 179.405 179.360 0.045 RESID 20 (A): CA 54.531 54.531 54.380 0.151 RESID 20 (A): CB 18.995 18.995 18.109 0.886 RESID 20 (A): H 8.318 8.318 7.961 0.357 RESID 21 (G): N 108.209 108.209 107.052 1.157 RESID 21 (G): C 175.676 175.676 176.204 -0.528 RESID 21 (G): CA 46.742 46.742 47.244 -0.502 RESID 21 (G): H 8.523 8.523 8.008 0.515 RESID 22 (T): N 119.542 119.542 115.070 4.472 RESID 22 (T): C 175.661 175.661 176.063 -0.402 RESID 22 (T): CA 66.401 66.401 65.621 0.780 RESID 22 (T): CB 68.866 68.866 68.445 0.421 RESID 22 (T): H 7.881 7.881 8.202 -0.321 RESID 23 (A): N 123.431 123.431 124.203 -0.772 RESID 23 (A): C 178.628 178.628 179.040 -0.412 RESID 23 (A): CA 55.480 55.480 54.861 0.619 RESID 23 (A): CB 18.218 18.218 17.998 0.220 RESID 23 (A): H 8.263 8.263 7.503 0.760 RESID 24 (A): N 119.939 119.939 120.454 -0.515 RESID 24 (A): C 179.172 179.172 179.148 0.024 RESID 24 (A): CA 55.038 55.038 54.929 0.109 RESID 24 (A): CB 18.385 18.385 18.179 0.206 RESID 24 (A): H 7.827 7.827 8.259 -0.432 RESID 25 (C): N 116.736 116.736 117.749 -1.013 RESID 25 (C): C 176.220 176.220 176.874 -0.654 RESID 25 (C): CA 58.596 58.596 62.778 -4.182 RESID 25 (C): CB 41.771 41.771 27.069 14.702 RESID 25 (C): H 7.677 7.677 7.433 0.244 RESID 26 (I): N 119.154 119.154 118.323 0.831 RESID 26 (I): C 176.915 176.915 177.434 -0.519 RESID 26 (I): CA 64.858 64.858 64.789 0.069 RESID 26 (I): CB 38.090 38.090 37.114 0.976 RESID 26 (I): H 7.899 7.899 7.561 0.338 RESID 27 (A): N 121.116 121.116 122.107 -0.991 RESID 27 (A): C 179.016 179.016 178.817 0.199 RESID 27 (A): CA 55.367 55.367 55.019 0.348 RESID 27 (A): CB 18.385 18.385 18.426 -0.041 RESID 27 (A): H 7.909 7.909 7.876 0.033 RESID 28 (D): N 116.829 116.829 118.274 -1.445 RESID 28 (D): C 177.643 177.643 178.124 -0.481 RESID 28 (D): CA 56.453 56.453 56.040 0.413 RESID 28 (D): CB 41.128 41.128 41.325 -0.197 RESID 28 (D): H 7.554 7.554 7.497 0.057 RESID 29 (L): N 119.672 119.672 121.086 -1.414 RESID 29 (L): C 178.628 178.628 179.239 -0.611 RESID 29 (L): CA 57.144 57.144 58.211 -1.067 RESID 29 (L): CB 43.146 43.146 42.391 0.755 RESID 29 (L): H 7.732 7.732 7.364 0.368 RESID 30 (I): N 113.629 113.629 113.098 0.531 RESID 30 (I): C 176.456 176.456 176.939 -0.483 RESID 30 (I): CA 60.539 60.539 63.939 -3.400 RESID 30 (I): CB 38.506 38.506 37.560 0.946 RESID 30 (I): H 7.977 7.977 7.598 0.379 RESID 31 (T): N 113.314 113.314 115.991 -2.677 RESID 31 (T): C 174.045 174.045 175.211 -1.166 RESID 31 (T): CA 62.495 62.495 64.406 -1.911 RESID 31 (T): CB 69.898 69.898 70.108 -0.210 RESID 31 (T): H 7.738 7.738 7.447 0.291 RESID 32 (F): N 123.409 123.409 123.964 -0.555 RESID 32 (F): CA 56.349 56.349 62.113 -5.764 RESID 32 (F): CB 39.148 39.148 37.279 1.869 RESID 32 (F): H 7.609 7.609 8.428 -0.819 RESID 33 (P): C 177.831 177.831 177.436 0.395 RESID 33 (P): CA 62.656 62.656 64.893 -2.237 RESID 33 (P): CB 34.762 34.762 31.027 3.735 RESID 34 (L): N 124.503 124.503 117.298 7.205 RESID 34 (L): C 176.298 176.298 178.478 -2.180 RESID 34 (L): CA 55.545 55.545 57.273 -1.728 RESID 34 (L): CB 43.287 43.287 41.425 1.862 RESID 34 (L): H 8.659 8.659 7.154 1.505 RESID 35 (D): N 121.663 121.663 119.222 2.441 RESID 35 (D): C 177.152 177.152 178.304 -1.152 RESID 35 (D): CA 54.326 54.326 57.527 -3.201 RESID 35 (D): CB 41.154 41.154 40.141 1.013 RESID 35 (D): H 8.236 8.236 7.623 0.613 RESID 36 (T): N 115.977 115.977 115.590 0.387 RESID 36 (T): C 177.088 177.088 176.037 1.051 RESID 36 (T): CA 64.868 64.868 66.211 -1.343 RESID 36 (T): CB 69.053 69.053 68.798 0.255 RESID 36 (T): H 8.127 8.127 7.789 0.338 RESID 37 (A): N 125.063 125.063 122.598 2.465 RESID 37 (A): C 179.143 179.143 178.998 0.145 RESID 37 (A): CA 55.234 55.234 54.960 0.274 RESID 37 (A): CB 18.735 18.735 18.386 0.349 RESID 37 (A): H 8.042 8.042 7.732 0.310 RESID 38 (K): N 117.827 117.827 117.443 0.384 RESID 38 (K): C 178.239 178.239 178.323 -0.084 RESID 38 (K): CA 58.861 58.861 58.972 -0.111 RESID 38 (K): CB 32.724 32.724 31.862 0.862 RESID 38 (K): H 7.759 7.759 7.465 0.294 RESID 39 (V): N 118.955 118.955 117.064 1.891 RESID 39 (V): C 177.892 177.892 178.249 -0.357 RESID 39 (V): CA 65.478 65.478 64.849 0.629 RESID 39 (V): CB 34.675 34.675 31.470 3.205 RESID 39 (V): H 7.554 7.554 7.456 0.098 RESID 40 (R): N 119.922 119.922 120.334 -0.412 RESID 40 (R): C 178.391 178.391 179.006 -0.615 RESID 40 (R): CA 59.648 59.648 58.110 1.538 RESID 40 (R): CB 29.933 29.933 30.019 -0.086 RESID 40 (R): H 7.794 7.794 7.395 0.399 RESID 41 (L): N 118.720 118.720 121.799 -3.079 RESID 41 (L): CA 54.749 54.749 55.585 -0.836 RESID 41 (L): CB 40.429 40.429 40.121 0.308 RESID 41 (L): H 7.534 7.534 7.800 -0.266 RESID 49 (G): C 174.779 174.779 175.102 -0.323 RESID 50 (L): N 123.029 123.029 121.695 1.334 RESID 50 (L): C 178.482 178.482 178.315 0.167 RESID 50 (L): CA 56.765 56.765 56.692 0.073 RESID 50 (L): CB 41.673 41.673 41.360 0.313 RESID 50 (L): H 8.113 8.113 7.968 0.145 RESID 51 (V): N 118.714 118.714 119.320 -0.606 RESID 51 (V): C 178.032 178.032 176.928 1.104 RESID 51 (V): CA 66.037 66.037 65.801 0.236 RESID 51 (V): CB 30.763 30.763 31.424 -0.661 RESID 51 (V): H 7.974 7.974 8.038 -0.064 RESID 52 (R): N 121.569 121.569 116.940 4.629 RESID 52 (R): CA 59.167 59.167 58.322 0.845 RESID 52 (R): CB 29.437 29.437 29.519 -0.082 RESID 52 (R): H 8.231 8.231 8.037 0.194 RESID 53 (T): C 175.108 175.108 174.862 0.246 RESID 53 (T): H 7.948 7.948 7.549 0.399 RESID 54 (A): N 121.823 121.823 122.877 -1.054 RESID 54 (A): C 174.922 174.922 176.188 -1.266 RESID 54 (A): CA 50.101 50.101 51.968 -1.867 RESID 54 (A): CB 18.950 18.950 19.975 -1.025 RESID 54 (A): H 7.792 7.792 7.460 0.332 RESID 55 (A): N 113.986 113.986 117.098 -3.112 RESID 55 (A): C 178.007 178.007 176.739 1.268 RESID 55 (A): CA 53.458 53.458 52.263 1.195 RESID 55 (A): CB 18.809 18.809 19.447 -0.638 RESID 55 (A): H 7.333 7.333 8.230 -0.897 RESID 56 (S): N 125.425 125.425 114.684 10.741 RESID 56 (S): C 174.899 174.899 174.374 0.525 RESID 56 (S): CA 59.520 59.520 57.365 2.155 RESID 56 (S): CB 64.051 64.051 63.714 0.337 RESID 56 (S): H 7.786 7.786 7.766 0.020 RESID 57 (A): N 118.183 118.183 122.145 -3.962 RESID 57 (A): CA 53.783 53.783 52.452 1.331 RESID 57 (A): CB 17.599 17.599 17.772 -0.173 RESID 57 (A): H 8.018 8.018 8.119 -0.101 RESID 59 (Y): C 177.662 177.662 177.213 0.449 RESID 60 (R): N 122.798 122.798 122.059 0.739 RESID 60 (R): C 177.956 177.956 176.456 1.500 RESID 60 (R): CA 58.711 58.711 57.143 1.568 RESID 60 (R): CB 30.659 30.659 30.134 0.524 RESID 60 (R): H 8.311 8.311 8.710 -0.399 RESID 61 (G): N 109.033 109.033 107.399 1.634 RESID 61 (G): C 176.064 176.064 175.309 0.755 RESID 61 (G): CA 46.592 46.592 44.972 1.620 RESID 61 (G): H 8.182 8.182 7.928 0.254 RESID 62 (V): N 123.218 123.218 125.669 -2.451 RESID 62 (V): C 177.540 177.540 177.213 0.327 RESID 62 (V): CA 66.277 66.277 64.839 1.438 RESID 62 (V): CB 32.355 32.355 32.303 0.052 RESID 62 (V): H 8.105 8.105 8.458 -0.353 RESID 63 (L): N 120.295 120.295 118.697 1.598 RESID 63 (L): C 178.628 178.628 179.337 -0.709 RESID 63 (L): CA 58.366 58.366 57.723 0.643 RESID 63 (L): CB 41.675 41.675 40.409 1.266 RESID 63 (L): H 8.182 8.182 8.348 -0.166 RESID 64 (G): N 106.013 106.013 106.288 -0.275 RESID 64 (G): C 176.531 176.531 176.135 0.396 RESID 64 (G): CA 47.765 47.765 47.238 0.527 RESID 64 (G): H 8.102 8.102 7.723 0.379 RESID 65 (T): N 120.842 120.842 117.460 3.382 RESID 65 (T): C 176.453 176.453 176.450 0.003 RESID 65 (T): CA 67.140 67.140 65.166 1.974 RESID 65 (T): CB 69.161 69.161 68.860 0.301 RESID 65 (T): H 7.854 7.854 7.432 0.422 RESID 66 (I): N 122.676 122.676 120.779 1.897 RESID 66 (I): C 177.307 177.307 177.859 -0.552 RESID 66 (I): CA 65.832 65.832 63.668 2.164 RESID 66 (I): CB 38.090 38.090 36.703 1.387 RESID 66 (I): H 8.018 8.018 7.537 0.481 RESID 67 (L): N 119.838 119.838 118.812 1.026 RESID 67 (L): C 178.706 178.706 179.132 -0.426 RESID 67 (L): CA 58.491 58.491 58.540 -0.049 RESID 67 (L): CB 41.387 41.387 40.796 0.591 RESID 67 (L): H 8.291 8.291 7.566 0.725 RESID 68 (T): N 115.362 115.362 115.507 -0.145 RESID 68 (T): C 176.764 176.764 176.504 0.260 RESID 68 (T): CA 67.040 67.040 66.510 0.530 RESID 68 (T): CB 69.403 69.403 68.905 0.498 RESID 68 (T): H 7.963 7.963 7.265 0.698 RESID 69 (M): N 122.960 122.960 119.268 3.692 RESID 69 (M): C 177.153 177.153 178.548 -1.395 RESID 69 (M): CA 59.710 59.710 58.865 0.845 RESID 69 (M): CB 33.111 33.111 32.137 0.974 RESID 69 (M): H 7.977 7.977 7.686 0.291 RESID 70 (V): N 119.558 119.558 120.218 -0.660 RESID 70 (V): C 176.841 176.841 176.589 0.252 RESID 70 (V): CA 66.277 66.277 65.119 1.158 RESID 70 (V): CB 31.362 31.362 31.629 -0.267 RESID 70 (V): H 7.751 7.751 7.597 0.154 RESID 71 (R): N 118.002 118.002 117.549 0.453 RESID 71 (R): C 177.152 177.152 178.404 -1.252 RESID 71 (R): CA 58.761 58.761 57.474 1.287 RESID 71 (R): CB 30.656 30.656 30.005 0.651 RESID 71 (R): H 7.827 7.827 7.634 0.193 RESID 72 (T): N 111.410 111.410 113.618 -2.208 RESID 72 (T): C 175.288 175.288 175.896 -0.608 RESID 72 (T): CA 64.194 64.194 65.133 -0.939 RESID 72 (T): CB 70.312 70.312 69.031 1.280 RESID 72 (T): H 7.745 7.745 7.683 0.062 RESID 73 (E): N 120.577 120.577 119.957 0.620 RESID 73 (E): C 177.696 177.696 176.603 1.093 RESID 73 (E): CA 57.363 57.363 56.556 0.807 RESID 73 (E): CB 30.927 30.927 31.682 -0.755 RESID 73 (E): H 8.263 8.263 8.005 0.258 RESID 74 (G): N 108.209 108.209 107.115 1.094 RESID 74 (G): CA 45.593 45.593 44.921 0.672 RESID 74 (G): H 7.841 7.841 7.464 0.377 RESID 75 (P): C 177.152 177.152 178.437 -1.285 RESID 75 (P): CA 65.652 65.652 64.660 0.992 RESID 75 (P): CB 32.294 32.294 32.176 0.118 RESID 76 (R): N 118.553 118.553 117.222 1.331 RESID 76 (R): C 177.696 177.696 177.867 -0.171 RESID 76 (R): CA 59.785 59.785 58.307 1.478 RESID 76 (R): CB 29.671 29.671 29.492 0.179 RESID 76 (R): H 8.427 8.427 8.624 -0.197 RESID 77 (S): N 115.323 115.323 113.830 1.493 RESID 77 (S): C 177.230 177.230 175.440 1.790 RESID 77 (S): CA 61.318 61.318 60.344 0.974 RESID 77 (S): CB 63.281 63.281 63.527 -0.246 RESID 77 (S): H 7.963 7.963 8.164 -0.201 RESID 78 (L): N 122.598 122.598 119.921 2.677 RESID 78 (L): C 177.696 177.696 177.717 -0.021 RESID 78 (L): CA 57.792 57.792 56.554 1.238 RESID 78 (L): CB 42.202 42.202 42.132 0.070 RESID 78 (L): H 7.595 7.595 7.547 0.048 RESID 79 (Y): N 119.276 119.276 113.186 6.090 RESID 79 (Y): C 176.142 176.142 175.615 0.527 RESID 79 (Y): CA 60.792 60.792 59.026 1.766 RESID 79 (Y): CB 38.687 38.687 38.744 -0.057 RESID 79 (Y): H 7.868 7.868 7.417 0.451 RESID 80 (N): N 117.249 117.249 118.472 -1.223 RESID 80 (N): C 178.472 178.472 175.461 3.011 RESID 80 (N): CA 53.024 53.024 53.478 -0.454 RESID 80 (N): CB 37.946 37.946 39.328 -1.382 RESID 80 (N): H 8.374 8.374 7.382 0.992 RESID 81 (G): N 108.575 108.575 111.881 -3.306 RESID 81 (G): C 175.521 175.521 175.387 0.134 RESID 81 (G): CA 46.266 46.266 45.589 0.677 RESID 81 (G): H 8.086 8.086 8.701 -0.615 RESID 82 (L): N 124.326 124.326 121.860 2.466 RESID 82 (L): C 178.239 178.239 177.884 0.355 RESID 82 (L): CA 58.217 58.217 57.494 0.723 RESID 82 (L): CB 42.351 42.351 42.012 0.339 RESID 82 (L): H 7.991 7.991 7.533 0.458 RESID 83 (V): N 117.727 117.727 117.505 0.222 RESID 83 (V): C 177.851 177.851 176.953 0.898 RESID 83 (V): CA 64.113 64.113 64.766 -0.653 RESID 83 (V): CB 31.924 31.924 31.143 0.780 RESID 83 (V): H 8.004 8.004 8.255 -0.251 RESID 84 (A): N 121.414 121.414 121.850 -0.436 RESID 84 (A): C 180.570 180.570 179.690 0.880 RESID 84 (A): CA 55.031 55.031 54.642 0.389 RESID 84 (A): CB 18.286 18.286 18.408 -0.122 RESID 84 (A): H 7.677 7.677 7.607 0.070 RESID 85 (G): N 106.471 106.471 107.630 -1.159 RESID 85 (G): C 175.521 175.521 176.068 -0.547 RESID 85 (G): CA 47.191 47.191 46.734 0.457 RESID 85 (G): H 7.963 7.963 7.684 0.279 RESID 86 (L): N 122.326 122.326 122.114 0.212 RESID 86 (L): C 178.239 178.239 178.654 -0.415 RESID 86 (L): CA 57.493 57.493 57.719 -0.226 RESID 86 (L): CB 42.202 42.202 41.678 0.524 RESID 86 (L): H 8.100 8.100 7.485 0.615 RESID 87 (Q): N 117.736 117.736 117.925 -0.189 RESID 87 (Q): C 177.340 177.340 178.036 -0.696 RESID 87 (Q): CA 57.787 57.787 59.082 -1.295 RESID 87 (Q): CB 28.942 28.942 28.521 0.420 RESID 87 (Q): H 8.004 8.004 7.803 0.201 RESID 88 (R): N 118.107 118.107 119.507 -1.400 RESID 88 (R): C 177.930 177.930 178.818 -0.888 RESID 88 (R): CA 58.062 58.062 59.817 -1.755 RESID 88 (R): CB 30.774 30.774 29.926 0.848 RESID 88 (R): H 7.568 7.568 7.385 0.183 RESID 89 (Q): N 117.921 117.921 118.313 -0.392 RESID 89 (Q): C 177.375 177.375 178.217 -0.842 RESID 89 (Q): CA 56.838 56.838 58.118 -1.280 RESID 89 (Q): CB 29.006 29.006 28.140 0.866 RESID 89 (Q): H 7.827 7.827 7.604 0.223 RESID 90 (M): N 118.378 118.378 120.080 -1.702 RESID 90 (M): C 176.365 176.365 177.770 -1.405 RESID 90 (M): CA 56.339 56.339 58.013 -1.674 RESID 90 (M): CB 33.444 33.444 32.349 1.095 RESID 90 (M): H 7.963 7.963 8.515 -0.552 RESID 91 (S): N 115.089 115.089 115.977 -0.888 RESID 91 (S): C 175.899 175.899 176.575 -0.676 RESID 91 (S): CA 58.621 58.621 61.281 -2.660 RESID 91 (S): CB 64.337 64.337 62.228 2.109 RESID 91 (S): H 7.868 7.868 7.956 -0.088 RESID 92 (F): N 122.852 122.852 124.021 -1.169 RESID 92 (F): C 177.375 177.375 176.491 0.884 RESID 92 (F): CA 59.095 59.095 61.733 -2.639 RESID 92 (F): CB 38.937 38.937 38.998 -0.061 RESID 92 (F): H 8.332 8.332 7.567 0.765 RESID 93 (A): N 123.258 123.258 119.682 3.576 RESID 93 (A): C 178.628 178.628 178.759 -0.131 RESID 93 (A): CA 54.881 54.881 54.383 0.498 RESID 93 (A): CB 17.902 17.902 18.064 -0.162 RESID 93 (A): H 8.223 8.223 7.638 0.585 RESID 94 (S): N 112.886 112.886 113.995 -1.109 RESID 94 (S): C 176.831 176.831 176.994 -0.163 RESID 94 (S): CA 60.319 60.319 60.864 -0.545 RESID 94 (S): CB 63.611 63.611 63.519 0.092 RESID 94 (S): H 7.977 7.977 7.491 0.486 RESID 95 (V): N 121.854 121.854 122.062 -0.208 RESID 95 (V): C 176.220 176.220 176.589 -0.369 RESID 95 (V): CA 64.629 64.629 65.787 -1.158 RESID 95 (V): CB 31.328 31.328 31.133 0.195 RESID 95 (V): H 7.581 7.581 8.448 -0.867 RESID 96 (R): N 121.329 121.329 118.771 2.558 RESID 96 (R): C 176.814 176.814 177.181 -0.367 RESID 96 (R): CA 58.636 58.636 57.751 0.885 RESID 96 (R): CB 30.672 30.672 29.430 1.242 RESID 96 (R): H 7.936 7.936 7.299 0.637 RESID 97 (I): N 119.194 119.194 118.468 0.726 RESID 97 (I): C 177.152 177.152 176.104 1.048 RESID 97 (I): CA 63.296 63.296 61.699 1.597 RESID 97 (I): CB 38.757 38.757 38.361 0.397 RESID 97 (I): H 7.802 7.802 7.507 0.295 RESID 98 (G): N 109.857 109.857 108.022 1.835 RESID 98 (G): C 176.064 176.064 174.818 1.246 RESID 98 (G): CA 46.941 46.941 46.169 0.772 RESID 98 (G): H 8.127 8.127 7.609 0.518 RESID 99 (L): N 123.258 123.258 123.038 0.220 RESID 99 (L): C 177.856 177.856 177.787 0.069 RESID 99 (L): CA 58.264 58.264 57.134 1.130 RESID 99 (L): CB 42.488 42.488 42.177 0.311 RESID 99 (L): H 8.223 8.223 8.118 0.105 RESID 100 (Y): N 119.770 119.770 120.050 -0.280 RESID 100 (Y): C 176.997 176.997 177.176 -0.179 RESID 100 (Y): CA 61.592 61.592 62.317 -0.725 RESID 100 (Y): CB 38.809 38.809 38.416 0.392 RESID 100 (Y): H 8.207 8.207 7.968 0.239 RESID 101 (D): N 118.460 118.460 117.765 0.695 RESID 101 (D): C 178.939 178.939 178.621 0.318 RESID 101 (D): CA 57.797 57.797 57.154 0.644 RESID 101 (D): CB 40.498 40.498 40.406 0.092 RESID 101 (D): H 8.401 8.401 8.570 -0.169 RESID 102 (S): N 116.022 116.022 116.041 -0.019 RESID 102 (S): C 176.005 176.005 176.603 -0.598 RESID 102 (S): CA 62.791 62.791 62.059 0.732 RESID 102 (S): CB 64.211 64.211 63.153 1.058 RESID 102 (S): H 7.854 7.854 7.782 0.072 RESID 103 (V): N 120.844 120.844 121.172 -0.328 RESID 103 (V): C 177.307 177.307 176.677 0.630 RESID 103 (V): CA 66.510 66.510 64.571 1.939 RESID 103 (V): CB 31.965 31.965 32.034 -0.069 RESID 103 (V): H 7.926 7.926 7.760 0.166 RESID 104 (K): N 120.468 120.468 119.538 0.930 RESID 104 (K): C 178.861 178.861 178.692 0.169 RESID 104 (K): CA 60.184 60.184 59.325 0.859 RESID 104 (K): CB 31.979 31.979 32.155 -0.176 RESID 104 (K): H 8.127 8.127 7.731 0.396 RESID 105 (Q): N 118.386 118.386 116.784 1.602 RESID 105 (Q): C 177.540 177.540 177.521 0.019 RESID 105 (Q): CA 58.786 58.786 57.508 1.278 RESID 105 (Q): CB 28.377 28.377 28.677 -0.300 RESID 105 (Q): H 7.841 7.841 7.739 0.102 RESID 106 (F): N 119.471 119.471 118.108 1.363 RESID 106 (F): C 176.531 176.531 175.682 0.849 RESID 106 (F): CA 60.593 60.593 59.994 0.599 RESID 106 (F): CB 39.459 39.459 39.179 0.280 RESID 106 (F): H 7.772 7.772 7.421 0.351 RESID 107 (Y): N 118.288 118.288 114.340 3.948 RESID 107 (Y): C 176.220 176.220 176.589 -0.369 RESID 107 (Y): CA 60.543 60.543 58.809 1.734 RESID 107 (Y): CB 38.819 38.819 39.690 -0.871 RESID 107 (Y): H 8.045 8.045 7.282 0.763 RESID 108 (T): N 113.383 113.383 109.523 3.860 RESID 108 (T): C 175.288 175.288 174.838 0.450 RESID 108 (T): CA 64.094 64.094 61.958 2.136 RESID 108 (T): CB 69.986 69.986 69.381 0.605 RESID 108 (T): H 7.868 7.868 7.477 0.391 RESID 113 (H): C 173.413 173.413 173.581 -0.168 RESID 113 (H): H 7.968 7.968 8.781 -0.813 RESID 114 (A): N 119.456 119.456 124.932 -5.476 RESID 114 (A): C 177.851 177.851 175.800 2.051 RESID 114 (A): CA 53.283 53.283 52.178 1.105 RESID 114 (A): CB 19.362 19.362 19.101 0.261 RESID 114 (A): H 8.433 8.433 7.782 0.651 RESID 115 (G): N 108.484 108.484 105.859 2.625 RESID 115 (G): C 174.822 174.822 175.245 -0.423 RESID 115 (G): CA 45.968 45.968 45.123 0.844 RESID 115 (G): H 8.250 8.250 8.062 0.188 RESID 116 (I): N 121.139 121.139 121.235 -0.096 RESID 116 (I): C 176.841 176.841 176.808 0.033 RESID 116 (I): CA 63.160 63.160 63.966 -0.806 RESID 116 (I): CB 38.853 38.853 38.067 0.786 RESID 116 (I): H 8.127 8.127 8.151 -0.024 RESID 117 (G): N 110.863 110.863 107.487 3.376 RESID 117 (G): C 174.588 174.588 175.894 -1.306 RESID 117 (G): CA 46.791 46.791 47.022 -0.231 RESID 117 (G): H 8.509 8.509 8.525 -0.016 RESID 118 (S): N 116.069 116.069 117.699 -1.630 RESID 118 (S): C 175.754 175.754 176.839 -1.085 RESID 118 (S): CA 60.319 60.319 61.495 -1.175 RESID 118 (S): CB 63.864 63.864 62.795 1.069 RESID 118 (S): H 7.991 7.991 8.013 -0.022 RESID 119 (R): N 122.134 122.134 122.558 -0.424 RESID 119 (R): C 178.228 178.228 178.782 -0.554 RESID 119 (R): CA 57.787 57.787 58.911 -1.124 RESID 119 (R): CB 30.549 30.549 29.724 0.825 RESID 119 (R): H 7.963 7.963 8.210 -0.247 RESID 120 (L): N 120.403 120.403 121.120 -0.717 RESID 120 (L): C 177.230 177.230 179.113 -1.883 RESID 120 (L): CA 57.967 57.967 58.320 -0.353 RESID 120 (L): CB 42.146 42.146 41.354 0.792 RESID 120 (L): H 7.914 7.914 7.662 0.252 RESID 121 (L): N 118.960 118.960 119.701 -0.741 RESID 121 (L): C 177.152 177.152 179.152 -2.000 RESID 121 (L): CA 55.495 55.495 58.317 -2.822 RESID 121 (L): CB 42.238 42.238 41.249 0.989 RESID 121 (L): H 7.718 7.718 8.301 -0.583 RESID 122 (A): N 123.063 123.063 121.412 1.651 RESID 122 (A): C 178.317 178.317 179.551 -1.234 RESID 122 (A): CA 53.358 53.358 55.323 -1.965 RESID 122 (A): CB 19.218 19.218 17.905 1.313 RESID 122 (A): H 7.745 7.745 8.723 -0.978 RESID 123 (G): N 107.843 107.843 106.421 1.422 RESID 123 (G): C 176.912 176.912 176.373 0.539 RESID 123 (G): CA 45.943 45.943 46.932 -0.989 RESID 123 (G): H 8.113 8.113 8.775 -0.662 RESID 124 (S): N 116.105 116.105 118.496 -2.391 RESID 124 (S): C 175.574 175.574 176.751 -1.177 RESID 124 (S): CA 59.145 59.145 61.873 -2.728 RESID 124 (S): CB 64.211 64.211 63.253 0.958 RESID 124 (S): H 8.109 8.109 8.445 -0.336 RESID 125 (T): N 116.069 116.069 118.879 -2.810 RESID 125 (T): C 176.055 176.055 176.463 -0.408 RESID 125 (T): CA 66.921 66.921 66.660 0.261 RESID 125 (T): CB 69.682 69.682 68.822 0.860 RESID 125 (T): H 8.086 8.086 8.152 -0.066 RESID 126 (T): N 115.439 115.439 116.925 -1.486 RESID 126 (T): C 177.443 177.443 176.615 0.828 RESID 126 (T): CA 65.285 65.285 66.253 -0.968 RESID 126 (T): CB 68.364 68.364 68.429 -0.065 RESID 126 (T): H 7.977 7.977 8.224 -0.247 RESID 127 (G): N 115.453 115.453 108.233 7.220 RESID 127 (G): C 174.215 174.215 175.064 -0.849 RESID 127 (G): CA 46.117 46.117 46.889 -0.771 RESID 127 (G): H 8.168 8.168 7.979 0.189 RESID 128 (A): N 123.952 123.952 125.295 -1.343 RESID 128 (A): C 178.162 178.162 179.236 -1.074 RESID 128 (A): CA 53.349 53.349 54.509 -1.160 RESID 128 (A): CB 19.099 19.099 18.487 0.612 RESID 128 (A): H 7.919 7.919 7.456 0.463 RESID 129 (L): N 120.025 120.025 119.550 0.475 RESID 129 (L): C 177.949 177.949 178.525 -0.576 RESID 129 (L): CA 56.019 56.019 57.201 -1.182 RESID 129 (L): CB 42.340 42.340 41.578 0.762 RESID 129 (L): H 7.936 7.936 7.505 0.431 RESID 130 (A): N 123.402 123.402 120.941 2.461 RESID 130 (A): C 177.929 177.929 179.482 -1.553 RESID 130 (A): CA 53.283 53.283 55.232 -1.949 RESID 130 (A): CB 18.964 18.964 18.266 0.698 RESID 130 (A): H 7.868 7.868 8.255 -0.387 RESID 131 (V): N 118.111 118.111 115.916 2.195 RESID 131 (V): C 176.025 176.025 177.770 -1.745 RESID 131 (V): CA 63.180 63.180 64.524 -1.344 RESID 131 (V): CB 32.898 32.898 30.974 1.924 RESID 131 (V): H 7.636 7.636 7.888 -0.252 RESID 132 (A): N 124.047 124.047 122.625 1.422 RESID 132 (A): C 179.008 179.008 178.620 0.388 RESID 132 (A): CA 53.707 53.707 54.596 -0.888 RESID 132 (A): CB 19.150 19.150 18.559 0.591 RESID 132 (A): H 7.911 7.911 7.647 0.264 RESID 133 (V): N 113.349 113.349 118.789 -5.440 RESID 133 (V): C 175.527 175.527 175.872 -0.345 RESID 133 (V): CA 64.115 64.115 63.223 0.892 RESID 133 (V): CB 31.832 31.832 32.939 -1.107 RESID 133 (V): H 7.094 7.094 7.497 -0.403 RESID 134 (A): N 123.224 123.224 121.197 2.027 RESID 134 (A): CA 55.493 55.493 51.203 4.290 RESID 134 (A): H 7.586 7.586 7.515 0.071 RESID 136 (P): C 177.074 177.074 179.065 -1.991 RESID 137 (T): N 113.281 113.281 110.298 2.983 RESID 137 (T): C 174.485 174.485 176.312 -1.827 RESID 137 (T): CA 64.496 64.496 66.048 -1.552 RESID 137 (T): CB 69.997 69.997 68.371 1.626 RESID 137 (T): H 7.963 7.963 8.204 -0.241 RESID 138 (D): N 122.770 122.770 121.105 1.665 RESID 138 (D): C 178.458 178.458 178.508 -0.050 RESID 138 (D): CA 56.776 56.776 57.305 -0.529 RESID 138 (D): CB 41.023 41.023 40.287 0.736 RESID 138 (D): H 8.094 8.094 7.544 0.550 RESID 139 (V): N 119.931 119.931 118.900 1.031 RESID 139 (V): C 177.502 177.502 178.368 -0.866 RESID 139 (V): CA 66.455 66.455 66.183 0.272 RESID 139 (V): CB 32.804 32.804 31.511 1.294 RESID 139 (V): H 7.753 7.753 7.993 -0.240 RESID 140 (V): N 120.539 120.539 116.893 3.646 RESID 140 (V): C 176.232 176.232 177.862 -1.630 RESID 140 (V): CA 66.770 66.770 66.449 0.321 RESID 140 (V): CB 32.086 32.086 31.015 1.071 RESID 140 (V): H 8.295 8.295 7.946 0.349 RESID 141 (K): N 120.122 120.122 119.693 0.429 RESID 141 (K): C 176.120 176.120 179.108 -2.988 RESID 141 (K): CA 55.991 55.991 59.301 -3.310 RESID 141 (K): CB 31.712 31.712 32.048 -0.336 RESID 141 (K): H 7.698 7.698 7.624 0.074 RESID 142 (V): N 120.104 120.104 116.740 3.364 RESID 142 (V): CA 63.230 63.230 65.746 -2.516 RESID 142 (V): H 7.772 7.772 7.395 0.377 RESID 143 (R): C 178.401 178.401 178.859 -0.458 RESID 143 (R): H 7.999 7.999 7.440 0.559 RESID 144 (F): N 120.445 120.445 120.430 0.015 RESID 144 (F): C 177.856 177.856 176.268 1.588 RESID 144 (F): CA 61.438 61.438 60.912 0.526 RESID 144 (F): H 8.395 8.395 8.453 -0.058 RESID 145 (Q): N 124.180 124.180 118.263 5.917 RESID 145 (Q): C 174.844 174.844 177.241 -2.397 RESID 145 (Q): CA 56.414 56.414 58.109 -1.695 RESID 145 (Q): CB 30.721 30.721 29.283 1.438 RESID 145 (Q): H 8.094 8.094 7.846 0.248 RESID 146 (A): N 120.452 120.452 120.716 -0.264 RESID 146 (A): C 177.929 177.929 178.358 -0.429 RESID 146 (A): CA 53.483 53.483 53.353 0.130 RESID 146 (A): CB 18.431 18.431 18.673 -0.242 RESID 146 (A): H 7.939 7.939 7.332 0.607 RESID 147 (Q): N 119.388 119.388 118.916 0.472 RESID 147 (Q): C 176.029 176.029 175.280 0.749 RESID 147 (Q): CA 56.339 56.339 55.923 0.416 RESID 147 (Q): CB 29.444 29.444 28.074 1.370 RESID 147 (Q): H 8.072 8.072 7.429 0.643 RESID 148 (A): N 125.199 125.199 128.950 -3.751 RESID 148 (A): C 177.766 177.766 178.063 -0.297 RESID 148 (A): CA 53.108 53.108 52.624 0.484 RESID 148 (A): CB 19.151 19.151 19.792 -0.641 RESID 148 (A): H 8.055 8.055 8.107 -0.052 RESID 149 (R): N 120.208 120.208 119.986 0.222 RESID 149 (R): CA 56.414 56.414 55.313 1.101 RESID 149 (R): CB 30.749 30.749 30.642 0.107 RESID 149 (R): H 8.018 8.018 8.150 -0.132 RESID 159 (T): C 175.928 175.928 176.645 -0.717 RESID 160 (V): N 118.321 118.321 119.479 -1.158 RESID 160 (V): C 177.749 177.749 177.851 -0.102 RESID 160 (V): CA 64.126 64.126 65.919 -1.793 RESID 160 (V): CB 31.343 31.343 30.709 0.634 RESID 160 (V): H 8.073 8.073 8.068 0.005 RESID 161 (E): N 122.379 122.379 120.826 1.553 RESID 161 (E): C 178.783 178.783 178.792 -0.009 RESID 161 (E): CA 59.550 59.550 59.596 -0.046 RESID 161 (E): CB 29.597 29.597 29.277 0.320 RESID 161 (E): H 8.204 8.204 8.630 -0.426 RESID 162 (A): N 122.845 122.845 123.893 -1.048 RESID 162 (A): C 179.948 179.948 179.402 0.546 RESID 162 (A): CA 55.181 55.181 55.067 0.114 RESID 162 (A): CB 18.154 18.154 18.759 -0.605 RESID 162 (A): H 7.786 7.786 8.655 -0.869 RESID 163 (Y): N 118.902 118.902 119.639 -0.737 RESID 163 (Y): C 177.273 177.273 177.932 -0.659 RESID 163 (Y): CA 61.068 61.068 61.944 -0.876 RESID 163 (Y): CB 37.898 37.898 38.785 -0.887 RESID 163 (Y): H 7.922 7.922 8.108 -0.186 RESID 164 (K): N 119.939 119.939 117.731 2.208 RESID 164 (K): C 178.239 178.239 179.323 -1.084 RESID 164 (K): CA 60.309 60.309 59.195 1.114 RESID 164 (K): CB 32.504 32.504 32.332 0.172 RESID 164 (K): H 8.223 8.223 7.704 0.519 RESID 165 (T): N 115.262 115.262 113.274 1.988 RESID 165 (T): C 175.676 175.676 176.629 -0.953 RESID 165 (T): CA 66.516 66.516 65.920 0.596 RESID 165 (T): CB 69.367 69.367 68.687 0.680 RESID 165 (T): H 7.745 7.745 8.136 -0.391 RESID 166 (I): N 121.571 121.571 118.534 3.037 RESID 166 (I): C 177.307 177.307 177.384 -0.077 RESID 166 (I): CA 64.634 64.634 64.192 0.442 RESID 166 (I): CB 38.896 38.896 36.443 2.453 RESID 166 (I): H 7.540 7.540 7.332 0.208 RESID 167 (A): N 121.983 121.983 123.248 -1.265 RESID 167 (A): C 178.395 178.395 179.865 -1.470 RESID 167 (A): CA 54.656 54.656 54.626 0.030 RESID 167 (A): CB 18.486 18.486 18.002 0.484 RESID 167 (A): H 8.059 8.059 7.654 0.405 RESID 168 (R): N 116.369 116.369 119.053 -2.684 RESID 168 (R): C 177.307 177.307 178.393 -1.086 RESID 168 (R): CA 58.486 58.486 58.660 -0.174 RESID 168 (R): CB 30.930 30.930 30.015 0.915 RESID 168 (R): H 7.690 7.690 7.749 -0.059 RESID 169 (E): N 118.667 118.667 117.366 1.301 RESID 169 (E): C 177.696 177.696 178.149 -0.453 RESID 169 (E): CA 58.212 58.212 58.433 -0.221 RESID 169 (E): CB 30.357 30.357 30.113 0.244 RESID 169 (E): H 8.045 8.045 7.900 0.145 RESID 170 (E): N 118.202 118.202 117.503 0.699 RESID 170 (E): C 177.878 177.878 177.525 0.353 RESID 170 (E): CA 57.363 57.363 56.946 0.417 RESID 170 (E): CB 31.277 31.277 31.015 0.262 RESID 170 (E): H 8.550 8.550 8.075 0.475 RESID 171 (G): N 108.941 108.941 108.827 0.114 RESID 171 (G): C 174.433 174.433 175.066 -0.633 RESID 171 (G): CA 45.193 45.193 44.508 0.685 RESID 171 (G): H 7.881 7.881 7.585 0.296 RESID 172 (I): N 120.842 120.842 117.264 3.578 RESID 172 (I): C 176.997 176.997 177.609 -0.612 RESID 172 (I): CA 63.810 63.810 63.781 0.029 RESID 172 (I): CB 38.516 38.516 37.490 1.026 RESID 172 (I): H 8.550 8.550 8.329 0.221 RESID 173 (R): N 119.480 119.480 120.702 -1.222 RESID 173 (R): C 178.084 178.084 178.805 -0.721 RESID 173 (R): CA 58.711 58.711 59.128 -0.417 RESID 173 (R): CB 29.796 29.796 29.465 0.331 RESID 173 (R): H 8.277 8.277 8.486 -0.209 RESID 174 (G): N 106.379 106.379 107.047 -0.668 RESID 174 (G): C 175.210 175.210 175.607 -0.397 RESID 174 (G): CA 46.767 46.767 46.558 0.209 RESID 174 (G): H 7.690 7.690 7.882 -0.192 RESID 175 (L): N 120.664 120.664 122.013 -1.349 RESID 175 (L): C 177.971 177.971 179.696 -1.725 RESID 175 (L): CA 57.104 57.104 57.687 -0.583 RESID 175 (L): CB 42.559 42.559 42.392 0.167 RESID 175 (L): H 7.554 7.554 7.339 0.215 RESID 176 (W): N 117.031 117.031 118.882 -1.851 RESID 176 (W): C 176.987 176.987 177.799 -0.812 RESID 176 (W): CA 57.672 57.672 58.243 -0.571 RESID 176 (W): CB 29.796 29.796 28.227 1.569 RESID 176 (W): H 7.499 7.499 8.284 -0.785 RESID 177 (K): N 120.567 120.567 119.170 1.397 RESID 177 (K): C 177.152 177.152 177.504 -0.352 RESID 177 (K): CA 57.712 57.712 59.817 -2.105 RESID 177 (K): CB 32.890 32.890 32.146 0.744 RESID 177 (K): H 7.595 7.595 7.407 0.188 RESID 178 (G): N 108.667 108.667 103.934 4.733 RESID 178 (G): C 174.045 174.045 175.408 -1.363 RESID 178 (G): CA 45.893 45.893 45.512 0.381 RESID 178 (G): H 7.881 7.881 7.843 0.038 RESID 179 (T): N 115.080 115.080 115.726 -0.646 RESID 179 (T): C 175.192 175.192 176.631 -1.439 RESID 179 (T): CA 66.521 66.521 66.072 0.449 RESID 179 (T): CB 70.079 70.079 68.300 1.779 RESID 179 (T): H 7.622 7.622 7.602 0.020 RESID 180 (S): N 117.754 117.754 116.899 0.855 RESID 180 (S): CA 63.123 63.123 63.449 -0.326 RESID 180 (S): CB 62.045 62.045 61.534 0.511 RESID 180 (S): H 8.195 8.195 7.811 0.384 RESID 182 (N): C 177.348 177.348 177.751 -0.403 RESID 183 (V): N 118.118 118.118 120.177 -2.059 RESID 183 (V): C 176.944 176.944 177.708 -0.764 RESID 183 (V): CA 65.244 65.244 66.242 -0.998 RESID 183 (V): CB 32.508 32.508 31.632 0.876 RESID 183 (V): H 7.861 7.861 7.473 0.388 RESID 184 (A): N 122.284 122.284 121.355 0.929 RESID 184 (A): C 178.317 178.317 179.220 -0.903 RESID 184 (A): CA 55.339 55.339 55.105 0.234 RESID 184 (A): CB 28.230 28.230 18.112 10.118 RESID 184 (A): H 8.097 8.097 7.402 0.695 RESID 185 (R): N 117.321 117.321 119.294 -1.973 RESID 185 (R): C 177.527 177.527 178.165 -0.638 RESID 185 (R): CA 59.543 59.543 59.544 -0.001 RESID 185 (R): CB 29.767 29.767 30.114 -0.347 RESID 185 (R): H 7.611 7.611 8.038 -0.427 RESID 186 (N): N 117.294 117.294 117.199 0.095 RESID 186 (N): C 176.599 176.599 177.196 -0.597 RESID 186 (N): CA 56.659 56.659 56.234 0.425 RESID 186 (N): CB 39.454 39.454 38.240 1.214 RESID 186 (N): H 8.048 8.048 7.840 0.208 RESID 187 (A): N 121.003 121.003 123.247 -2.244 RESID 187 (A): C 178.713 178.713 179.650 -0.937 RESID 187 (A): CA 55.520 55.520 54.891 0.629 RESID 187 (A): CB 18.097 18.097 18.731 -0.634 RESID 187 (A): H 7.322 7.322 7.356 -0.034 RESID 188 (I): N 119.319 119.319 118.948 0.371 RESID 188 (I): C 176.634 176.634 178.213 -1.579 RESID 188 (I): CA 64.225 64.225 62.967 1.258 RESID 188 (I): CB 37.658 37.658 36.294 1.364 RESID 188 (I): H 7.779 7.779 7.710 0.069 RESID 189 (V): N 117.265 117.265 118.197 -0.932 RESID 189 (V): C 177.529 177.529 177.776 -0.247 RESID 189 (V): CA 65.562 65.562 66.820 -1.258 RESID 189 (V): CB 31.407 31.407 30.290 1.117 RESID 189 (V): H 7.776 7.776 7.842 -0.066 RESID 190 (N): N 118.736 118.736 119.710 -0.974 RESID 190 (N): C 176.476 176.476 177.681 -1.205 RESID 190 (N): CA 56.813 56.813 55.771 1.042 RESID 190 (N): CB 38.268 38.268 37.939 0.329 RESID 190 (N): H 7.800 7.800 7.828 -0.028 RESID 191 (C): N 120.152 120.152 118.840 1.312 RESID 191 (C): C 175.831 175.831 176.868 -1.037 RESID 191 (C): CA 60.293 60.293 62.169 -1.876 RESID 191 (C): CB 41.566 41.566 27.582 13.984 RESID 191 (C): H 7.784 7.784 7.805 -0.021 RESID 192 (A): N 121.963 121.963 123.537 -1.574 RESID 192 (A): C 178.395 178.395 179.402 -1.007 RESID 192 (A): CA 55.280 55.280 54.955 0.326 RESID 192 (A): CB 18.008 18.008 18.099 -0.091 RESID 192 (A): H 8.141 8.141 8.648 -0.507 RESID 193 (E): N 114.548 114.548 119.219 -4.671 RESID 193 (E): C 176.764 176.764 178.902 -2.138 RESID 193 (E): CA 58.262 58.262 59.437 -1.175 RESID 193 (E): CB 29.342 29.342 29.587 -0.246 RESID 193 (E): H 7.595 7.595 8.149 -0.554 RESID 194 (L): N 117.659 117.659 117.948 -0.289 RESID 194 (L): C 176.904 176.904 178.640 -1.736 RESID 194 (L): CA 55.695 55.695 58.478 -2.783 RESID 194 (L): CB 41.655 41.655 41.203 0.452 RESID 194 (L): H 7.459 7.459 7.923 -0.464 RESID 195 (V): N 117.842 117.842 117.320 0.522 RESID 195 (V): C 177.150 177.150 177.712 -0.562 RESID 195 (V): CA 64.054 64.054 66.059 -2.005 RESID 195 (V): CB 31.079 31.079 31.542 -0.463 RESID 195 (V): H 7.363 7.363 7.328 0.035 RESID 196 (T): N 122.439 122.439 117.275 5.164 RESID 196 (T): C 175.055 175.055 176.661 -1.606 RESID 196 (T): CA 65.500 65.500 66.741 -1.241 RESID 196 (T): CB 69.490 69.490 68.703 0.787 RESID 196 (T): H 7.940 7.940 7.534 0.406 RESID 197 (Y): N 122.430 122.430 122.379 0.051 RESID 197 (Y): C 177.152 177.152 177.207 -0.055 RESID 197 (Y): CA 61.892 61.892 62.021 -0.129 RESID 197 (Y): CB 38.085 38.085 38.430 -0.345 RESID 197 (Y): H 9.123 9.123 8.814 0.309 RESID 198 (D): N 117.750 117.750 119.470 -1.720 RESID 198 (D): C 177.696 177.696 178.385 -0.689 RESID 198 (D): CA 57.822 57.822 57.330 0.492 RESID 198 (D): CB 40.500 40.500 40.433 0.067 RESID 198 (D): H 8.263 8.263 7.828 0.435 RESID 199 (L): N 120.698 120.698 118.064 2.634 RESID 199 (L): C 180.104 180.104 179.089 1.015 RESID 199 (L): CA 58.092 58.092 57.359 0.733 RESID 199 (L): CB 42.559 42.559 41.761 0.798 RESID 199 (L): H 7.636 7.636 7.207 0.429 RESID 200 (I): N 121.136 121.136 118.046 3.090 RESID 200 (I): C 176.919 176.919 177.563 -0.644 RESID 200 (I): CA 65.482 65.482 63.526 1.956 RESID 200 (I): CB 37.949 37.949 36.703 1.246 RESID 200 (I): H 7.718 7.718 7.497 0.221 RESID 201 (K): N 120.587 120.587 117.938 2.649 RESID 201 (K): C 177.696 177.696 178.971 -1.275 RESID 201 (K): CA 60.683 60.683 58.631 2.052 RESID 201 (K): CB 31.809 31.809 32.217 -0.408 RESID 201 (K): H 8.291 8.291 7.850 0.441 RESID 202 (D): N 117.936 117.936 116.799 1.137 RESID 202 (D): C 178.395 178.395 176.394 2.001 RESID 202 (D): CA 57.672 57.672 56.054 1.618 RESID 202 (D): CB 41.355 41.355 41.071 0.284 RESID 202 (D): H 8.182 8.182 7.806 0.376 RESID 203 (T): N 115.914 115.914 115.153 0.761 RESID 203 (T): CA 61.190 61.190 61.804 -0.614 RESID 203 (T): CB 68.738 68.738 70.047 -1.309 RESID 203 (T): H 7.690 7.690 7.404 0.286 RESID 204 (L): C 176.047 176.047 175.766 0.281 RESID 204 (L): H 8.051 8.051 8.762 -0.711 RESID 205 (L): N 118.768 118.768 116.704 2.064 RESID 205 (L): C 179.871 179.871 177.433 2.438 RESID 205 (L): CA 55.867 55.867 53.859 2.008 RESID 205 (L): CB 41.887 41.887 41.310 0.577 RESID 205 (L): H 7.977 7.977 7.879 0.098 RESID 206 (K): N 119.775 119.775 119.081 0.694 RESID 206 (K): C 177.318 177.318 176.876 0.442 RESID 206 (K): CA 58.461 58.461 57.803 0.657 RESID 206 (K): CB 32.734 32.734 32.950 -0.216 RESID 206 (K): H 7.677 7.677 8.231 -0.554 RESID 207 (A): N 120.757 120.757 119.796 0.961 RESID 207 (A): C 176.531 176.531 176.064 0.467 RESID 207 (A): CA 53.083 53.083 51.850 1.232 RESID 207 (A): CB 18.960 18.960 18.828 0.131 RESID 207 (A): H 7.565 7.565 7.685 -0.120 RESID 208 (N): N 115.463 115.463 116.275 -0.812 RESID 208 (N): C 174.822 174.822 173.663 1.159 RESID 208 (N): CA 54.351 54.351 53.614 0.737 RESID 208 (N): CB 38.160 38.160 37.631 0.529 RESID 208 (N): H 7.936 7.936 8.128 -0.192 RESID 212 (D): C 174.735 174.735 174.636 0.099 RESID 213 (D): N 116.363 116.363 120.697 -4.334 RESID 213 (D): C 175.553 175.553 176.965 -1.412 RESID 213 (D): CA 54.890 54.890 53.326 1.564 RESID 213 (D): CB 38.846 38.846 40.087 -1.240 RESID 213 (D): H 8.129 8.129 8.259 -0.130 RESID 214 (L): N 119.486 119.486 120.202 -0.716 RESID 214 (L): CA 59.766 59.766 58.300 1.466 RESID 214 (L): CB 39.579 39.579 39.923 -0.344 RESID 214 (L): H 7.821 7.821 8.290 -0.469 RESID 215 (P): C 177.971 177.971 179.174 -1.203 RESID 215 (P): CA 65.938 65.938 65.685 0.253 RESID 215 (P): CB 30.006 30.006 30.771 -0.765 RESID 216 (C): N 114.211 114.211 116.713 -2.502 RESID 216 (C): C 176.142 176.142 176.790 -0.648 RESID 216 (C): CA 58.773 58.773 62.918 -4.145 RESID 216 (C): CB 40.906 40.906 26.681 14.225 RESID 216 (C): H 8.269 8.269 8.028 0.241 RESID 217 (H): N 120.491 120.491 120.332 0.159 RESID 217 (H): C 176.747 176.747 177.313 -0.566 RESID 217 (H): CA 57.198 57.198 59.471 -2.273 RESID 217 (H): CB 29.886 29.886 29.402 0.484 RESID 217 (H): H 7.301 7.301 7.650 -0.349 RESID 218 (F): N 120.501 120.501 118.071 2.430 RESID 218 (F): C 176.187 176.187 177.780 -1.593 RESID 218 (F): CA 59.045 59.045 62.206 -3.161 RESID 218 (F): CB 38.901 38.901 38.795 0.106 RESID 218 (F): H 8.127 8.127 7.891 0.236 RESID 219 (T): N 112.682 112.682 113.875 -1.193 RESID 219 (T): C 175.997 175.997 176.837 -0.840 RESID 219 (T): CA 64.319 64.319 66.454 -2.135 RESID 219 (T): CB 63.282 63.282 68.666 -5.384 RESID 219 (T): H 7.977 7.977 7.937 0.040 RESID 220 (S): N 117.589 117.589 117.575 0.014 RESID 220 (S): C 175.055 175.055 176.471 -1.416 RESID 220 (S): CA 61.344 61.344 61.441 -0.097 RESID 220 (S): CB 63.440 63.440 62.323 1.117 RESID 220 (S): H 8.004 8.004 7.698 0.306 RESID 221 (A): N 123.860 123.860 124.534 -0.674 RESID 221 (A): C 177.618 177.618 179.135 -1.517 RESID 221 (A): CA 53.932 53.932 54.819 -0.887 RESID 221 (A): CB 18.891 18.891 18.321 0.570 RESID 221 (A): H 7.704 7.704 7.336 0.368 RESID 222 (F): N 116.073 116.073 120.075 -4.002 RESID 222 (F): C 176.142 176.142 177.787 -1.645 RESID 222 (F): CA 58.271 58.271 60.961 -2.690 RESID 222 (F): CB 39.554 39.554 39.021 0.533 RESID 222 (F): H 7.718 7.718 8.150 -0.432 RESID 223 (G): N 108.578 108.578 106.318 2.260 RESID 223 (G): C 173.889 173.889 175.490 -1.601 RESID 223 (G): CA 45.993 45.993 47.016 -1.023 RESID 223 (G): H 7.909 7.909 8.098 -0.189 RESID 224 (A): N 123.322 123.322 124.461 -1.139 RESID 224 (A): C 178.550 178.550 179.826 -1.276 RESID 224 (A): CA 53.608 53.608 54.710 -1.102 RESID 224 (A): CB 19.069 19.069 18.273 0.796 RESID 224 (A): H 8.018 8.018 7.858 0.160 RESID 225 (G): N 107.935 107.935 107.577 0.358 RESID 225 (G): C 175.389 175.389 175.606 -0.217 RESID 225 (G): CA 46.967 46.967 46.812 0.155 RESID 225 (G): H 8.304 8.304 8.622 -0.318 RESID 226 (F): N 122.440 122.440 122.971 -0.531 RESID 226 (F): C 176.998 176.998 177.070 -0.072 RESID 226 (F): CA 60.673 60.673 60.658 0.015 RESID 226 (F): CB 38.319 38.319 39.239 -0.919 RESID 226 (F): H 8.045 8.045 8.052 -0.007 RESID 227 (C): N 116.562 116.562 117.648 -1.086 RESID 227 (C): CA 61.301 61.301 62.892 -1.591 RESID 227 (C): CB 41.286 41.286 26.615 14.671 RESID 227 (C): H 8.016 8.016 7.806 0.210 RESID 228 (T): C 176.437 176.437 176.327 0.110 RESID 228 (T): H 8.410 8.410 8.403 0.007 RESID 229 (T): N 115.234 115.234 118.685 -3.451 RESID 229 (T): C 176.749 176.749 176.075 0.674 RESID 229 (T): CA 65.980 65.980 67.063 -1.083 RESID 229 (T): CB 67.443 67.443 68.129 -0.686 RESID 229 (T): H 8.188 8.188 8.181 0.007 RESID 230 (V): N 120.723 120.723 120.456 0.267 RESID 230 (V): C 177.983 177.983 177.239 0.744 RESID 230 (V): CA 66.832 66.832 66.576 0.257 RESID 230 (V): CB 31.168 31.168 31.133 0.035 RESID 230 (V): H 8.027 8.027 7.194 0.833 RESID 231 (I): N 120.541 120.541 117.870 2.671 RESID 231 (I): C 177.368 177.368 177.976 -0.608 RESID 231 (I): CA 65.575 65.575 62.699 2.876 RESID 231 (I): CB 37.722 37.722 36.332 1.390 RESID 231 (I): H 8.458 8.458 7.052 1.406 RESID 232 (A): N 122.766 122.766 121.371 1.395 RESID 232 (A): C 178.847 178.847 179.726 -0.879 RESID 232 (A): CA 55.252 55.252 54.962 0.289 RESID 232 (A): CB 17.874 17.874 18.303 -0.429 RESID 232 (A): H 8.589 8.589 7.938 0.651 RESID 233 (S): N 113.387 113.387 114.903 -1.516 RESID 233 (S): CA 62.348 62.348 62.448 -0.100 RESID 233 (S): CB 61.630 61.630 61.378 0.252 RESID 233 (S): H 8.218 8.218 8.038 0.180 RESID 234 (P): C 178.221 178.221 178.580 -0.359 RESID 235 (V): N 116.087 116.087 116.636 -0.549 RESID 235 (V): C 177.089 177.089 177.163 -0.074 RESID 235 (V): CA 65.072 65.072 66.272 -1.200 RESID 235 (V): CB 31.084 31.084 31.276 -0.192 RESID 235 (V): H 8.142 8.142 7.403 0.739 RESID 236 (D): N 121.556 121.556 119.613 1.943 RESID 236 (D): C 177.422 177.422 178.185 -0.763 RESID 236 (D): CA 57.135 57.135 56.873 0.262 RESID 236 (D): CB 40.065 40.065 39.929 0.136 RESID 236 (D): H 7.932 7.932 7.376 0.556 RESID 237 (V): N 117.233 117.233 119.988 -2.755 RESID 237 (V): CA 64.977 64.977 66.159 -1.182 RESID 237 (V): CB 31.013 31.013 31.803 -0.790 RESID 237 (V): H 7.710 7.710 7.583 0.127 RESID 238 (V): C 177.584 177.584 177.376 0.208 RESID 238 (V): H 7.607 7.607 7.468 0.139 RESID 239 (K): N 120.095 120.095 119.834 0.261 RESID 239 (K): C 178.678 178.678 178.274 0.404 RESID 239 (K): CA 58.483 58.483 58.433 0.050 RESID 239 (K): CB 31.863 31.863 31.908 -0.045 RESID 239 (K): H 7.761 7.761 7.430 0.331 RESID 240 (T): N 115.247 115.247 113.940 1.307 RESID 240 (T): C 175.093 175.093 174.726 0.367 RESID 240 (T): CA 66.458 66.458 64.687 1.771 RESID 240 (T): CB 68.011 68.011 69.059 -1.048 RESID 240 (T): H 7.761 7.761 7.680 0.081 RESID 241 (R): N 119.633 119.633 122.024 -2.391 RESID 241 (R): CA 57.133 57.133 57.159 -0.026 RESID 241 (R): CB 31.218 31.218 30.177 1.040 RESID 241 (R): H 7.383 7.383 7.477 -0.094 RESID 242 (Y): C 174.956 174.956 174.085 0.871 RESID 242 (Y): H 8.699 8.699 8.735 -0.036 RESID 243 (M): N 118.458 118.458 122.327 -3.869 RESID 243 (M): C 175.676 175.676 175.321 0.355 RESID 243 (M): CA 54.417 54.417 54.329 0.088 RESID 243 (M): H 7.442 7.442 8.367 -0.925 RESID 244 (N): N 116.369 116.369 119.390 -3.021 RESID 244 (N): C 174.919 174.919 175.156 -0.237 RESID 244 (N): CA 59.470 59.470 53.020 6.450 RESID 244 (N): CB 39.079 39.079 39.757 -0.678 RESID 244 (N): H 7.772 7.772 8.946 -1.174 RESID 245 (S): N 114.568 114.568 114.056 0.512 RESID 245 (S): C 175.695 175.695 172.264 3.431 RESID 245 (S): CA 53.852 53.852 57.959 -4.107 RESID 245 (S): CB 61.232 61.232 65.123 -3.891 RESID 245 (S): H 8.475 8.475 7.898 0.577 RESID 246 (A): N 127.283 127.283 122.492 4.791 RESID 246 (A): C 177.128 177.128 175.935 1.193 RESID 246 (A): CA 56.803 56.803 51.960 4.843 RESID 246 (A): CB 18.901 18.901 20.157 -1.256 RESID 246 (A): H 7.929 7.929 8.128 -0.199 RESID 247 (L): N 118.112 118.112 120.378 -2.266 RESID 247 (L): C 176.723 176.723 175.960 0.763 RESID 247 (L): CA 54.156 54.156 54.987 -0.831 RESID 247 (L): CB 41.215 41.215 40.006 1.209 RESID 247 (L): H 7.922 7.922 8.529 -0.607 RESID 248 (G): N 107.203 107.203 109.191 -1.988 RESID 248 (G): CA 44.558 44.558 44.877 -0.320 RESID 248 (G): H 8.318 8.318 8.127 0.191 RESID 250 (Y): C 175.942 175.942 175.408 0.534 RESID 250 (Y): H 8.134 8.134 8.834 -0.700 RESID 251 (H): N 123.281 123.281 118.326 4.955 RESID 251 (H): C 174.531 174.531 175.249 -0.718 RESID 251 (H): CA 58.931 58.931 58.042 0.889 RESID 251 (H): CB 29.525 29.525 30.799 -1.274 RESID 251 (H): H 8.184 8.184 8.342 -0.158 RESID 252 (S): N 110.038 110.038 111.397 -1.359 RESID 252 (S): C 174.429 174.429 173.862 0.567 RESID 252 (S): CA 57.452 57.452 57.701 -0.249 RESID 252 (S): CB 65.022 65.022 65.041 -0.019 RESID 252 (S): H 8.010 8.010 7.886 0.124 RESID 253 (A): N 123.034 123.034 124.531 -1.497 RESID 253 (A): C 179.249 179.249 179.461 -0.212 RESID 253 (A): CA 54.981 54.981 54.818 0.163 RESID 253 (A): CB 19.069 19.069 18.677 0.392 RESID 253 (A): H 8.034 8.034 8.694 -0.660 RESID 254 (G): N 106.379 106.379 105.796 0.583 RESID 254 (G): C 174.433 174.433 175.663 -1.230 RESID 254 (G): CA 47.615 47.615 47.031 0.584 RESID 254 (G): H 8.427 8.427 8.699 -0.272 RESID 255 (H): N 121.119 121.119 120.939 0.180 RESID 255 (H): C 178.084 178.084 176.928 1.156 RESID 255 (H): CA 60.144 60.144 59.643 0.501 RESID 255 (H): CB 33.073 33.073 29.864 3.209 RESID 255 (H): H 8.304 8.304 7.848 0.456 RESID 256 (C): N 117.946 117.946 118.246 -0.300 RESID 256 (C): C 175.453 175.453 176.200 -0.747 RESID 256 (C): CA 58.668 58.668 63.788 -5.120 RESID 256 (C): CB 41.434 41.434 27.142 14.292 RESID 256 (C): H 8.168 8.168 7.745 0.423 RESID 257 (A): N 123.138 123.138 122.510 0.628 RESID 257 (A): C 179.489 179.489 179.175 0.314 RESID 257 (A): CA 54.589 54.589 55.383 -0.793 RESID 257 (A): CB 17.675 17.675 18.169 -0.494 RESID 257 (A): H 7.932 7.932 7.579 0.353 RESID 258 (L): N 119.779 119.779 118.842 0.937 RESID 258 (L): C 178.234 178.234 179.146 -0.912 RESID 258 (L): CA 56.967 56.967 57.777 -0.810 RESID 258 (L): CB 41.067 41.067 40.948 0.119 RESID 258 (L): H 7.681 7.681 7.910 -0.229 RESID 259 (T): N 114.552 114.552 116.191 -1.639 RESID 259 (T): C 176.244 176.244 176.944 -0.700 RESID 259 (T): CA 66.511 66.511 66.985 -0.474 RESID 259 (T): CB 67.274 67.274 68.499 -1.225 RESID 259 (T): H 7.855 7.855 7.778 0.077 RESID 260 (M): N 118.862 118.862 119.982 -1.120 RESID 260 (M): C 177.094 177.094 177.891 -0.797 RESID 260 (M): CA 58.532 58.532 59.400 -0.868 RESID 260 (M): CB 32.288 32.288 32.578 -0.290 RESID 260 (M): H 8.296 8.296 8.309 -0.013 RESID 261 (L): N 116.839 116.839 117.966 -1.127 RESID 261 (L): C 178.162 178.162 178.831 -0.669 RESID 261 (L): CA 58.167 58.167 57.718 0.450 RESID 261 (L): CB 42.202 42.202 41.945 0.257 RESID 261 (L): H 8.053 8.053 8.032 0.021 RESID 262 (R): N 116.821 116.821 118.224 -1.403 RESID 262 (R): CA 58.761 58.761 58.674 0.087 RESID 262 (R): CB 30.825 30.825 30.732 0.093 RESID 262 (R): H 7.827 7.827 7.783 0.044 RESID 266 (P): C 177.152 177.152 178.323 -1.171 RESID 266 (P): CA 65.152 65.152 64.082 1.070 RESID 267 (R): N 117.739 117.739 118.904 -1.165 RESID 267 (R): C 177.463 177.463 177.519 -0.056 RESID 267 (R): CA 59.335 59.335 59.014 0.320 RESID 267 (R): CB 30.185 30.185 29.479 0.706 RESID 267 (R): H 8.072 8.072 8.001 0.071 RESID 268 (A): N 121.709 121.709 121.932 -0.223 RESID 268 (A): C 179.251 179.251 179.730 -0.479 RESID 268 (A): CA 54.631 54.631 54.662 -0.031 RESID 268 (A): CB 18.683 18.683 18.242 0.441 RESID 268 (A): H 7.963 7.963 7.510 0.453 RESID 269 (F): N 117.096 117.096 117.731 -0.635 RESID 269 (F): C 175.987 175.987 177.572 -1.585 RESID 269 (F): CA 61.037 61.037 60.838 0.199 RESID 269 (F): CB 38.637 38.637 38.053 0.584 RESID 269 (F): H 7.832 7.832 7.332 0.500 RESID 270 (Y): N 118.496 118.496 120.081 -1.585 RESID 270 (Y): C 176.250 176.250 176.678 -0.428 RESID 270 (Y): CA 60.116 60.116 59.593 0.523 RESID 270 (Y): CB 38.882 38.882 38.933 -0.051 RESID 270 (Y): H 7.813 7.813 7.777 0.036 RESID 271 (K): N 119.458 119.458 119.782 -0.324 RESID 271 (K): C 177.696 177.696 176.626 1.070 RESID 271 (K): CA 57.192 57.192 56.367 0.825 RESID 271 (K): CB 32.734 32.734 33.206 -0.472 RESID 271 (K): H 7.864 7.864 7.814 0.050 RESID 272 (G): N 106.217 106.217 106.986 -0.769 RESID 272 (G): C 173.967 173.967 173.539 0.428 RESID 272 (G): CA 46.117 46.117 45.554 0.563 RESID 272 (G): H 7.622 7.622 8.373 -0.751 RESID 273 (F): N 118.847 118.847 117.928 0.919 RESID 273 (F): C 175.055 175.055 175.088 -0.033 RESID 273 (F): CA 57.721 57.721 57.157 0.564 RESID 273 (F): CB 40.183 40.183 39.044 1.139 RESID 273 (F): H 7.677 7.677 7.634 0.043 RESID 277 (F): C 176.602 176.602 176.801 -0.199 RESID 277 (F): CA 61.838 61.838 61.649 0.189 RESID 277 (F): CB 39.537 39.537 39.420 0.117 RESID 277 (F): H 7.695 7.695 8.557 -0.862 RESID 278 (L): N 118.465 118.465 118.743 -0.278 RESID 278 (L): C 177.152 177.152 179.304 -2.152 RESID 278 (L): CA 56.115 56.115 58.106 -1.991 RESID 278 (L): CB 42.398 42.398 40.987 1.411 RESID 278 (L): H 8.104 8.104 7.886 0.218 RESID 279 (R): N 118.749 118.749 119.113 -0.364 RESID 279 (R): C 176.608 176.608 178.919 -2.311 RESID 279 (R): CA 56.938 56.938 59.225 -2.287 RESID 279 (R): CB 30.659 30.659 30.034 0.625 RESID 279 (R): H 7.472 7.472 7.913 -0.441 RESID 280 (L): N 120.305 120.305 117.983 2.322 RESID 280 (L): C 177.540 177.540 178.965 -1.425 RESID 280 (L): CA 57.094 57.094 58.115 -1.021 RESID 280 (L): CB 42.027 42.027 40.379 1.648 RESID 280 (L): H 7.690 7.690 8.108 -0.418 RESID 281 (G): N 106.837 106.837 107.516 -0.679 RESID 281 (G): C 174.045 174.045 176.086 -2.041 RESID 281 (G): CA 46.967 46.967 47.041 -0.074 RESID 281 (G): H 7.881 7.881 7.687 0.194 RESID 282 (S): N 115.531 115.531 118.291 -2.760 RESID 282 (S): C 174.123 174.123 176.160 -2.037 RESID 282 (S): CA 58.796 58.796 61.865 -3.069 RESID 282 (S): CB 58.975 58.975 63.264 -4.289 RESID 282 (S): H 7.813 7.813 7.495 0.318 RESID 283 (W): N 122.851 122.851 122.559 0.292 RESID 283 (W): C 176.142 176.142 177.394 -1.252 RESID 283 (W): CA 59.221 59.221 61.065 -1.844 RESID 283 (W): CB 30.446 30.446 29.625 0.821 RESID 283 (W): H 8.186 8.186 8.419 -0.233 RESID 284 (N): N 118.459 118.459 117.099 1.360 RESID 284 (N): CA 55.325 55.325 56.159 -0.834 RESID 284 (N): CB 39.504 39.504 37.792 1.712 RESID 284 (N): H 8.127 8.127 8.073 0.054 RESID 285 (V): C 177.263 177.263 177.643 -0.380 RESID 285 (V): H 7.854 7.854 7.415 0.439 RESID 286 (V): N 119.883 119.883 117.831 2.052 RESID 286 (V): C 177.072 177.072 177.392 -0.320 RESID 286 (V): CA 64.717 64.717 65.705 -0.988 RESID 286 (V): CB 29.553 29.553 30.912 -1.359 RESID 286 (V): H 7.483 7.483 7.237 0.246 RESID 287 (M): N 120.401 120.401 116.917 3.484 RESID 287 (M): C 177.594 177.594 178.545 -0.951 RESID 287 (M): CA 57.654 57.654 58.532 -0.878 RESID 287 (M): CB 31.592 31.592 31.634 -0.042 RESID 287 (M): H 8.118 8.118 7.016 1.101 RESID 288 (F): N 122.234 122.234 121.683 0.551 RESID 288 (F): C 176.498 176.498 177.350 -0.852 RESID 288 (F): CA 61.766 61.766 62.270 -0.504 RESID 288 (F): CB 39.031 39.031 39.284 -0.253 RESID 288 (F): H 7.878 7.878 7.879 -0.001 RESID 289 (V): N 118.907 118.907 118.416 0.491 RESID 289 (V): CA 64.566 64.566 66.747 -2.181 RESID 289 (V): CB 30.544 30.544 30.852 -0.308 RESID 289 (V): H 7.913 7.913 7.702 0.211 RESID 290 (T): C 175.376 175.376 176.880 -1.504 RESID 290 (T): H 8.095 8.095 7.293 0.802 RESID 291 (Y): N 118.029 118.029 121.065 -3.036 RESID 291 (Y): C 176.919 176.919 177.556 -0.637 RESID 291 (Y): CA 61.717 61.717 61.448 0.269 RESID 291 (Y): CB 38.020 38.020 37.515 0.505 RESID 291 (Y): H 7.986 7.986 7.801 0.185 RESID 292 (E): N 118.005 118.005 119.401 -1.396 RESID 292 (E): C 176.686 176.686 178.890 -2.204 RESID 292 (E): CA 60.084 60.084 59.830 0.254 RESID 292 (E): CB 29.443 29.443 29.183 0.260 RESID 292 (E): H 8.359 8.359 8.144 0.215 RESID 293 (Q): N 118.746 118.746 118.409 0.337 RESID 293 (Q): C 176.210 176.210 178.491 -2.281 RESID 293 (Q): CA 58.986 58.986 58.418 0.568 RESID 293 (Q): CB 28.784 28.784 28.731 0.053 RESID 293 (Q): H 7.704 7.704 7.440 0.264 RESID 294 (L): N 120.970 120.970 118.793 2.177 RESID 294 (L): C 178.084 178.084 178.057 0.027 RESID 294 (L): CA 58.741 58.741 56.877 1.864 RESID 294 (L): CB 41.451 41.451 41.927 -0.476 RESID 294 (L): H 7.995 7.995 7.489 0.506 RESID 295 (K): N 117.756 117.756 117.155 0.601 RESID 295 (K): CA 59.048 59.048 58.194 0.854 RESID 295 (K): CB 31.871 31.871 33.008 -1.137 RESID 295 (K): H 7.731 7.731 7.826 -0.095 RESID 296 (R): H 7.895 7.895 7.828 0.067 RESID 297 (A): C 176.488 176.488 176.702 -0.214 RESID 297 (A): H 8.223 8.223 8.310 -0.087 RESID 298 (L): N 117.376 117.376 121.480 -4.104 RESID 298 (L): C 178.628 178.628 177.086 1.542 RESID 298 (L): CA 58.217 58.217 55.569 2.648 RESID 298 (L): CB 41.905 41.905 42.154 -0.249 RESID 298 (L): H 7.947 7.947 8.355 -0.408 RESID 299 (M): N 127.376 127.376 126.536 0.840 RESID 299 (M): C 178.472 178.472 175.117 3.355 RESID 299 (M): CA 58.461 58.461 54.786 3.675 RESID 299 (M): CB 32.110 32.110 30.298 1.812 RESID 299 (M): H 8.182 8.182 8.858 -0.676 RESID 300 (A): N 121.854 121.854 123.272 -1.418 RESID 300 (A): C 180.197 180.197 176.481 3.716 RESID 300 (A): CA 55.617 55.617 52.613 3.004 RESID 300 (A): CB 18.215 18.215 20.164 -1.949 RESID 300 (A): H 7.841 7.841 7.707 0.134 RESID 301 (A): N 121.224 121.224 128.394 -7.170 RESID 301 (A): C 178.939 178.939 178.085 0.854 RESID 301 (A): CA 55.186 55.186 54.468 0.718 RESID 301 (A): CB 18.735 18.735 18.988 -0.253 RESID 301 (A): H 7.872 7.872 8.696 -0.824 RESID 302 (Y): N 118.183 118.183 119.568 -1.385 RESID 302 (Y): C 176.841 176.841 177.560 -0.719 RESID 302 (Y): CA 60.868 60.868 61.648 -0.780 RESID 302 (Y): CB 39.344 39.344 37.958 1.387 RESID 302 (Y): H 8.100 8.100 8.517 -0.417 RESID 303 (Q): N 117.243 117.243 117.815 -0.572 RESID 303 (Q): C 176.997 176.997 178.936 -1.939 RESID 303 (Q): CA 58.787 58.787 59.101 -0.314 RESID 303 (Q): CB 29.216 29.216 27.880 1.336 RESID 303 (Q): H 8.059 8.059 8.531 -0.472 RESID 304 (S): N 114.721 114.721 115.033 -0.312 RESID 304 (S): C 174.511 174.511 176.035 -1.524 RESID 304 (S): CA 59.720 59.720 60.781 -1.061 RESID 304 (S): CB 63.896 63.896 63.202 0.694 RESID 304 (S): H 7.718 7.718 7.814 -0.096 RESID 305 (R): N 121.401 121.401 119.313 2.088 RESID 305 (R): C 175.521 175.521 177.928 -2.407 RESID 305 (R): CA 59.639 59.639 58.844 0.794 RESID 305 (R): CB 30.568 30.568 30.607 -0.039 RESID 305 (R): H 7.609 7.609 7.997 -0.388 RESID 306 (E): N 120.090 120.090 117.060 3.030 RESID 306 (E): C 177.648 177.648 178.936 -1.288 RESID 306 (E): CA 59.624 59.624 58.501 1.123 RESID 306 (E): CB 30.362 30.362 29.196 1.166 RESID 306 (E): H 7.909 7.909 7.576 0.333 RESID 307 (A): N 121.234 121.234 124.941 -3.707 RESID 307 (A): C 176.014 176.014 177.210 -1.196 RESID 307 (A): CA 56.844 56.844 55.311 1.533 RESID 307 (A): CB 17.735 17.735 16.826 0.909 RESID 307 (A): H 7.760 7.760 7.802 -0.042 N HA C CA CB H RESID 16 (K): -2.646 ----- -2.186 0.154 0.230 -0.742 RESID 17 (F): -1.754 ----- -1.831 -0.563 0.840 -0.163 RESID 18 (L): -1.152 ----- -0.382 -1.192 1.193 -0.313 RESID 19 (G): 0.694 ----- -0.539 -1.579 ----- -0.263 RESID 20 (A): 0.412 ----- 0.045 0.151 0.886 0.357 RESID 21 (G): 1.157 ----- -0.528 -0.502 ----- 0.515 RESID 22 (T): 4.472 ----- -0.402 0.780 0.421 -0.321 RESID 23 (A): -0.772 ----- -0.412 0.619 0.220 0.760 RESID 24 (A): -0.515 ----- 0.024 0.109 0.206 -0.432 RESID 25 (C): -1.013 ----- -0.654 -4.182 14.702 0.244 RESID 26 (I): 0.831 ----- -0.519 0.069 0.976 0.338 RESID 27 (A): -0.991 ----- 0.199 0.348 -0.041 0.033 RESID 28 (D): -1.445 ----- -0.481 0.413 -0.197 0.057 RESID 29 (L): -1.414 ----- -0.611 -1.067 0.755 0.368 RESID 30 (I): 0.531 ----- -0.483 -3.400 0.946 0.379 RESID 31 (T): -2.677 ----- -1.166 -1.911 -0.210 0.291 RESID 32 (F): -0.555 ----- ----- -5.764 1.869 -0.819 RESID 33 (P): ----- ----- 0.395 -2.237 3.735 ----- RESID 34 (L): 7.205 ----- -2.180 -1.728 1.862 1.505 RESID 35 (D): 2.441 ----- -1.152 -3.201 1.013 0.613 RESID 36 (T): 0.387 ----- 1.051 -1.343 0.255 0.338 RESID 37 (A): 2.465 ----- 0.145 0.274 0.349 0.310 RESID 38 (K): 0.384 ----- -0.084 -0.111 0.862 0.294 RESID 39 (V): 1.891 ----- -0.357 0.629 3.205 0.098 RESID 40 (R): -0.412 ----- -0.615 1.538 -0.086 0.399 RESID 41 (L): -3.079 ----- ----- -0.836 0.308 -0.266 RESID 49 (G): ----- ----- -0.323 ----- ----- ----- RESID 50 (L): 1.334 ----- 0.167 0.073 0.313 0.145 RESID 51 (V): -0.606 ----- 1.104 0.236 -0.661 -0.064 RESID 52 (R): 4.629 ----- ----- 0.845 -0.082 0.194 RESID 53 (T): ----- ----- 0.246 ----- ----- 0.399 RESID 54 (A): -1.054 ----- -1.266 -1.867 -1.025 0.332 RESID 55 (A): -3.112 ----- 1.268 1.195 -0.638 -0.897 RESID 56 (S): 10.741 ----- 0.525 2.155 0.337 0.020 RESID 57 (A): -3.962 ----- ----- 1.331 -0.173 -0.101 RESID 59 (Y): ----- ----- 0.449 ----- ----- ----- RESID 60 (R): 0.739 ----- 1.500 1.568 0.524 -0.399 RESID 61 (G): 1.634 ----- 0.755 1.620 ----- 0.254 RESID 62 (V): -2.451 ----- 0.327 1.438 0.052 -0.353 RESID 63 (L): 1.598 ----- -0.709 0.643 1.266 -0.166 RESID 64 (G): -0.275 ----- 0.396 0.527 ----- 0.379 RESID 65 (T): 3.382 ----- 0.003 1.974 0.301 0.422 RESID 66 (I): 1.897 ----- -0.552 2.164 1.387 0.481 RESID 67 (L): 1.026 ----- -0.426 -0.049 0.591 0.725 RESID 68 (T): -0.145 ----- 0.260 0.530 0.498 0.698 RESID 69 (M): 3.692 ----- -1.395 0.845 0.974 0.291 RESID 70 (V): -0.660 ----- 0.252 1.158 -0.267 0.154 RESID 71 (R): 0.453 ----- -1.252 1.287 0.651 0.193 RESID 72 (T): -2.208 ----- -0.608 -0.939 1.280 0.062 RESID 73 (E): 0.620 ----- 1.093 0.807 -0.755 0.258 RESID 74 (G): 1.094 ----- ----- 0.672 ----- 0.377 RESID 75 (P): ----- ----- -1.285 0.992 0.118 ----- RESID 76 (R): 1.331 ----- -0.171 1.478 0.179 -0.197 RESID 77 (S): 1.493 ----- 1.790 0.974 -0.246 -0.201 RESID 78 (L): 2.677 ----- -0.021 1.238 0.070 0.048 RESID 79 (Y): 6.090 ----- 0.527 1.766 -0.057 0.451 RESID 80 (N): -1.223 ----- 3.011 -0.454 -1.382 0.992 RESID 81 (G): -3.306 ----- 0.134 0.677 ----- -0.615 RESID 82 (L): 2.466 ----- 0.355 0.723 0.339 0.458 RESID 83 (V): 0.222 ----- 0.898 -0.653 0.780 -0.251 RESID 84 (A): -0.436 ----- 0.880 0.389 -0.122 0.070 RESID 85 (G): -1.159 ----- -0.547 0.457 ----- 0.279 RESID 86 (L): 0.212 ----- -0.415 -0.226 0.524 0.615 RESID 87 (Q): -0.189 ----- -0.696 -1.295 0.420 0.201 RESID 88 (R): -1.400 ----- -0.888 -1.755 0.848 0.183 RESID 89 (Q): -0.392 ----- -0.842 -1.280 0.866 0.223 RESID 90 (M): -1.702 ----- -1.405 -1.674 1.095 -0.552 RESID 91 (S): -0.888 ----- -0.676 -2.660 2.109 -0.088 RESID 92 (F): -1.169 ----- 0.884 -2.639 -0.061 0.765 RESID 93 (A): 3.576 ----- -0.131 0.498 -0.162 0.585 RESID 94 (S): -1.109 ----- -0.163 -0.545 0.092 0.486 RESID 95 (V): -0.208 ----- -0.369 -1.158 0.195 -0.867 RESID 96 (R): 2.558 ----- -0.367 0.885 1.242 0.637 RESID 97 (I): 0.726 ----- 1.048 1.597 0.397 0.295 RESID 98 (G): 1.835 ----- 1.246 0.772 ----- 0.518 RESID 99 (L): 0.220 ----- 0.069 1.130 0.311 0.105 RESID 100 (Y): -0.280 ----- -0.179 -0.725 0.392 0.239 RESID 101 (D): 0.695 ----- 0.318 0.644 0.092 -0.169 RESID 102 (S): -0.019 ----- -0.598 0.732 1.058 0.072 RESID 103 (V): -0.328 ----- 0.630 1.939 -0.069 0.166 RESID 104 (K): 0.930 ----- 0.169 0.859 -0.176 0.396 RESID 105 (Q): 1.602 ----- 0.019 1.278 -0.300 0.102 RESID 106 (F): 1.363 ----- 0.849 0.599 0.280 0.351 RESID 107 (Y): 3.948 ----- -0.369 1.734 -0.871 0.763 RESID 108 (T): 3.860 ----- 0.450 2.136 0.605 0.391 RESID 113 (H): ----- ----- -0.168 ----- ----- -0.813 RESID 114 (A): -5.476 ----- 2.051 1.105 0.261 0.651 RESID 115 (G): 2.625 ----- -0.423 0.844 ----- 0.188 RESID 116 (I): -0.096 ----- 0.033 -0.806 0.786 -0.024 RESID 117 (G): 3.376 ----- -1.306 -0.231 ----- -0.016 RESID 118 (S): -1.630 ----- -1.085 -1.175 1.069 -0.022 RESID 119 (R): -0.424 ----- -0.554 -1.124 0.825 -0.247 RESID 120 (L): -0.717 ----- -1.883 -0.353 0.792 0.252 RESID 121 (L): -0.741 ----- -2.000 -2.822 0.989 -0.583 RESID 122 (A): 1.651 ----- -1.234 -1.965 1.313 -0.978 RESID 123 (G): 1.422 ----- 0.539 -0.989 ----- -0.662 RESID 124 (S): -2.391 ----- -1.177 -2.728 0.958 -0.336 RESID 125 (T): -2.810 ----- -0.408 0.261 0.860 -0.066 RESID 126 (T): -1.486 ----- 0.828 -0.968 -0.065 -0.247 RESID 127 (G): 7.220 ----- -0.849 -0.771 ----- 0.189 RESID 128 (A): -1.343 ----- -1.074 -1.160 0.612 0.463 RESID 129 (L): 0.475 ----- -0.576 -1.182 0.762 0.431 RESID 130 (A): 2.461 ----- -1.553 -1.949 0.698 -0.387 RESID 131 (V): 2.195 ----- -1.745 -1.344 1.924 -0.252 RESID 132 (A): 1.422 ----- 0.388 -0.888 0.591 0.264 RESID 133 (V): -5.440 ----- -0.345 0.892 -1.107 -0.403 RESID 134 (A): 2.027 ----- ----- 4.290 ----- 0.071 RESID 136 (P): ----- ----- -1.991 ----- ----- ----- RESID 137 (T): 2.983 ----- -1.827 -1.552 1.626 -0.241 RESID 138 (D): 1.665 ----- -0.050 -0.529 0.736 0.550 RESID 139 (V): 1.031 ----- -0.866 0.272 1.294 -0.240 RESID 140 (V): 3.646 ----- -1.630 0.321 1.071 0.349 RESID 141 (K): 0.429 ----- -2.988 -3.310 -0.336 0.074 RESID 142 (V): 3.364 ----- ----- -2.516 ----- 0.377 RESID 143 (R): ----- ----- -0.458 ----- ----- 0.559 RESID 144 (F): 0.015 ----- 1.588 0.526 ----- -0.058 RESID 145 (Q): 5.917 ----- -2.397 -1.695 1.438 0.248 RESID 146 (A): -0.264 ----- -0.429 0.130 -0.242 0.607 RESID 147 (Q): 0.472 ----- 0.749 0.416 1.370 0.643 RESID 148 (A): -3.751 ----- -0.297 0.484 -0.641 -0.052 RESID 149 (R): 0.222 ----- ----- 1.101 0.107 -0.132 RESID 159 (T): ----- ----- -0.717 ----- ----- ----- RESID 160 (V): -1.158 ----- -0.102 -1.793 0.634 0.005 RESID 161 (E): 1.553 ----- -0.009 -0.046 0.320 -0.426 RESID 162 (A): -1.048 ----- 0.546 0.114 -0.605 -0.869 RESID 163 (Y): -0.737 ----- -0.659 -0.876 -0.887 -0.186 RESID 164 (K): 2.208 ----- -1.084 1.114 0.172 0.519 RESID 165 (T): 1.988 ----- -0.953 0.596 0.680 -0.391 RESID 166 (I): 3.037 ----- -0.077 0.442 2.453 0.208 RESID 167 (A): -1.265 ----- -1.470 0.030 0.484 0.405 RESID 168 (R): -2.684 ----- -1.086 -0.174 0.915 -0.059 RESID 169 (E): 1.301 ----- -0.453 -0.221 0.244 0.145 RESID 170 (E): 0.699 ----- 0.353 0.417 0.262 0.475 RESID 171 (G): 0.114 ----- -0.633 0.685 ----- 0.296 RESID 172 (I): 3.578 ----- -0.612 0.029 1.026 0.221 RESID 173 (R): -1.222 ----- -0.721 -0.417 0.331 -0.209 RESID 174 (G): -0.668 ----- -0.397 0.209 ----- -0.192 RESID 175 (L): -1.349 ----- -1.725 -0.583 0.167 0.215 RESID 176 (W): -1.851 ----- -0.812 -0.571 1.569 -0.785 RESID 177 (K): 1.397 ----- -0.352 -2.105 0.744 0.188 RESID 178 (G): 4.733 ----- -1.363 0.381 ----- 0.038 RESID 179 (T): -0.646 ----- -1.439 0.449 1.779 0.020 RESID 180 (S): 0.855 ----- ----- -0.326 0.511 0.384 RESID 182 (N): ----- ----- -0.403 ----- ----- ----- RESID 183 (V): -2.059 ----- -0.764 -0.998 0.876 0.388 RESID 184 (A): 0.929 ----- -0.903 0.234 10.118 0.695 RESID 185 (R): -1.973 ----- -0.638 -0.001 -0.347 -0.427 RESID 186 (N): 0.095 ----- -0.597 0.425 1.214 0.208 RESID 187 (A): -2.244 ----- -0.937 0.629 -0.634 -0.034 RESID 188 (I): 0.371 ----- -1.579 1.258 1.364 0.069 RESID 189 (V): -0.932 ----- -0.247 -1.258 1.117 -0.066 RESID 190 (N): -0.974 ----- -1.205 1.042 0.329 -0.028 RESID 191 (C): 1.312 ----- -1.037 -1.876 13.984 -0.021 RESID 192 (A): -1.574 ----- -1.007 0.326 -0.091 -0.507 RESID 193 (E): -4.671 ----- -2.138 -1.175 -0.246 -0.554 RESID 194 (L): -0.289 ----- -1.736 -2.783 0.452 -0.464 RESID 195 (V): 0.522 ----- -0.562 -2.005 -0.463 0.035 RESID 196 (T): 5.164 ----- -1.606 -1.241 0.787 0.406 RESID 197 (Y): 0.051 ----- -0.055 -0.129 -0.345 0.309 RESID 198 (D): -1.720 ----- -0.689 0.492 0.067 0.435 RESID 199 (L): 2.634 ----- 1.015 0.733 0.798 0.429 RESID 200 (I): 3.090 ----- -0.644 1.956 1.246 0.221 RESID 201 (K): 2.649 ----- -1.275 2.052 -0.408 0.441 RESID 202 (D): 1.137 ----- 2.001 1.618 0.284 0.376 RESID 203 (T): 0.761 ----- ----- -0.614 -1.309 0.286 RESID 204 (L): ----- ----- 0.281 ----- ----- -0.711 RESID 205 (L): 2.064 ----- 2.438 2.008 0.577 0.098 RESID 206 (K): 0.694 ----- 0.442 0.657 -0.216 -0.554 RESID 207 (A): 0.961 ----- 0.467 1.232 0.131 -0.120 RESID 208 (N): -0.812 ----- 1.159 0.737 0.529 -0.192 RESID 212 (D): ----- ----- 0.099 ----- ----- ----- RESID 213 (D): -4.334 ----- -1.412 1.564 -1.240 -0.130 RESID 214 (L): -0.716 ----- ----- 1.466 -0.344 -0.469 RESID 215 (P): ----- ----- -1.203 0.253 -0.765 ----- RESID 216 (C): -2.502 ----- -0.648 -4.145 14.225 0.241 RESID 217 (H): 0.159 ----- -0.566 -2.273 0.484 -0.349 RESID 218 (F): 2.430 ----- -1.593 -3.161 0.106 0.236 RESID 219 (T): -1.193 ----- -0.840 -2.135 -5.384 0.040 RESID 220 (S): 0.014 ----- -1.416 -0.097 1.117 0.306 RESID 221 (A): -0.674 ----- -1.517 -0.887 0.570 0.368 RESID 222 (F): -4.002 ----- -1.645 -2.690 0.533 -0.432 RESID 223 (G): 2.260 ----- -1.601 -1.023 ----- -0.189 RESID 224 (A): -1.139 ----- -1.276 -1.102 0.796 0.160 RESID 225 (G): 0.358 ----- -0.217 0.155 ----- -0.318 RESID 226 (F): -0.531 ----- -0.072 0.015 -0.919 -0.007 RESID 227 (C): -1.086 ----- ----- -1.591 14.671 0.210 RESID 228 (T): ----- ----- 0.110 ----- ----- 0.007 RESID 229 (T): -3.451 ----- 0.674 -1.083 -0.686 0.007 RESID 230 (V): 0.267 ----- 0.744 0.257 0.035 0.833 RESID 231 (I): 2.671 ----- -0.608 2.876 1.390 1.406 RESID 232 (A): 1.395 ----- -0.879 0.289 -0.429 0.651 RESID 233 (S): -1.516 ----- ----- -0.100 0.252 0.180 RESID 234 (P): ----- ----- -0.359 ----- ----- ----- RESID 235 (V): -0.549 ----- -0.074 -1.200 -0.192 0.739 RESID 236 (D): 1.943 ----- -0.763 0.262 0.136 0.556 RESID 237 (V): -2.755 ----- ----- -1.182 -0.790 0.127 RESID 238 (V): ----- ----- 0.208 ----- ----- 0.139 RESID 239 (K): 0.261 ----- 0.404 0.050 -0.045 0.331 RESID 240 (T): 1.307 ----- 0.367 1.771 -1.048 0.081 RESID 241 (R): -2.391 ----- ----- -0.026 1.040 -0.094 RESID 242 (Y): ----- ----- 0.871 ----- ----- -0.036 RESID 243 (M): -3.869 ----- 0.355 0.088 ----- -0.925 RESID 244 (N): -3.021 ----- -0.237 6.450 -0.678 -1.174 RESID 245 (S): 0.512 ----- 3.431 -4.107 -3.891 0.577 RESID 246 (A): 4.791 ----- 1.193 4.843 -1.256 -0.199 RESID 247 (L): -2.266 ----- 0.763 -0.831 1.209 -0.607 RESID 248 (G): -1.988 ----- ----- -0.320 ----- 0.191 RESID 250 (Y): ----- ----- 0.534 ----- ----- -0.700 RESID 251 (H): 4.955 ----- -0.718 0.889 -1.274 -0.158 RESID 252 (S): -1.359 ----- 0.567 -0.249 -0.019 0.124 RESID 253 (A): -1.497 ----- -0.212 0.163 0.392 -0.660 RESID 254 (G): 0.583 ----- -1.230 0.584 ----- -0.272 RESID 255 (H): 0.180 ----- 1.156 0.501 3.209 0.456 RESID 256 (C): -0.300 ----- -0.747 -5.120 14.292 0.423 RESID 257 (A): 0.628 ----- 0.314 -0.793 -0.494 0.353 RESID 258 (L): 0.937 ----- -0.912 -0.810 0.119 -0.229 RESID 259 (T): -1.639 ----- -0.700 -0.474 -1.225 0.077 RESID 260 (M): -1.120 ----- -0.797 -0.868 -0.290 -0.013 RESID 261 (L): -1.127 ----- -0.669 0.450 0.257 0.021 RESID 262 (R): -1.403 ----- ----- 0.087 0.093 0.044 RESID 266 (P): ----- ----- -1.171 1.070 ----- ----- RESID 267 (R): -1.165 ----- -0.056 0.320 0.706 0.071 RESID 268 (A): -0.223 ----- -0.479 -0.031 0.441 0.453 RESID 269 (F): -0.635 ----- -1.585 0.199 0.584 0.500 RESID 270 (Y): -1.585 ----- -0.428 0.523 -0.051 0.036 RESID 271 (K): -0.324 ----- 1.070 0.825 -0.472 0.050 RESID 272 (G): -0.769 ----- 0.428 0.563 ----- -0.751 RESID 273 (F): 0.919 ----- -0.033 0.564 1.139 0.043 RESID 277 (F): ----- ----- -0.199 0.189 0.117 -0.862 RESID 278 (L): -0.278 ----- -2.152 -1.991 1.411 0.218 RESID 279 (R): -0.364 ----- -2.311 -2.287 0.625 -0.441 RESID 280 (L): 2.322 ----- -1.425 -1.021 1.648 -0.418 RESID 281 (G): -0.679 ----- -2.041 -0.074 ----- 0.194 RESID 282 (S): -2.760 ----- -2.037 -3.069 -4.289 0.318 RESID 283 (W): 0.292 ----- -1.252 -1.844 0.821 -0.233 RESID 284 (N): 1.360 ----- ----- -0.834 1.712 0.054 RESID 285 (V): ----- ----- -0.380 ----- ----- 0.439 RESID 286 (V): 2.052 ----- -0.320 -0.988 -1.359 0.246 RESID 287 (M): 3.484 ----- -0.951 -0.878 -0.042 1.101 RESID 288 (F): 0.551 ----- -0.852 -0.504 -0.253 -0.001 RESID 289 (V): 0.491 ----- ----- -2.181 -0.308 0.211 RESID 290 (T): ----- ----- -1.504 ----- ----- 0.802 RESID 291 (Y): -3.036 ----- -0.637 0.269 0.505 0.185 RESID 292 (E): -1.396 ----- -2.204 0.254 0.260 0.215 RESID 293 (Q): 0.337 ----- -2.281 0.568 0.053 0.264 RESID 294 (L): 2.177 ----- 0.027 1.864 -0.476 0.506 RESID 295 (K): 0.601 ----- ----- 0.854 -1.137 -0.095 RESID 296 (R): ----- ----- ----- ----- ----- 0.067 RESID 297 (A): ----- ----- -0.214 ----- ----- -0.087 RESID 298 (L): -4.104 ----- 1.542 2.648 -0.249 -0.408 RESID 299 (M): 0.840 ----- 3.355 3.675 1.812 -0.676 RESID 300 (A): -1.418 ----- 3.716 3.004 -1.949 0.134 RESID 301 (A): -7.170 ----- 0.854 0.718 -0.253 -0.824 RESID 302 (Y): -1.385 ----- -0.719 -0.780 1.387 -0.417 RESID 303 (Q): -0.572 ----- -1.939 -0.314 1.336 -0.472 RESID 304 (S): -0.312 ----- -1.524 -1.061 0.694 -0.096 RESID 305 (R): 2.088 ----- -2.407 0.794 -0.039 -0.388 RESID 306 (E): 3.030 ----- -1.288 1.123 1.166 0.333 RESID 307 (A): -3.707 ----- -1.196 1.533 0.909 -0.042 DATA CS_STAT_INFO N RMS: 2.324 ppm Count: 236 Average Difference: -0.181 +/- 2.322 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.116 ppm Count: 239 Average Difference: 0.366 +/- 1.057 ppm DATA CS_STAT_INFO CA RMS: 1.564 ppm Count: 241 Average Difference: 0.096 +/- 1.565 ppm DATA CS_STAT_INFO CB RMS: 2.536 ppm Count: 215 Average Difference: -0.666 +/- 2.453 ppm DATA CS_STAT_INFO HN RMS: 0.430 ppm Count: 249 Average Difference: -0.064 +/- 0.426 ppm ############################################################################ For conformer 9: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 120.259 2.836 RESID 15 (V): C 176.453 176.453 176.928 -0.475 RESID 15 (V): CA 63.979 63.979 61.097 2.882 RESID 15 (V): CB 32.507 32.507 32.946 -0.439 RESID 15 (V): H 8.053 8.053 7.685 0.368 RESID 16 (K): N 123.075 123.075 124.407 -1.332 RESID 16 (K): C 176.841 176.841 178.957 -2.116 RESID 16 (K): CA 59.762 59.762 59.374 0.388 RESID 16 (K): CB 32.751 32.751 31.999 0.752 RESID 16 (K): H 8.059 8.059 8.784 -0.725 RESID 17 (F): N 118.838 118.838 119.772 -0.934 RESID 17 (F): C 175.443 175.443 177.030 -1.587 RESID 17 (F): CA 59.915 59.915 61.352 -1.437 RESID 17 (F): CB 39.659 39.659 39.045 0.614 RESID 17 (F): H 7.909 7.909 8.282 -0.373 RESID 18 (L): N 119.089 119.089 118.651 0.438 RESID 18 (L): C 177.195 177.195 177.654 -0.459 RESID 18 (L): CA 55.385 55.385 56.975 -1.590 RESID 18 (L): CB 42.905 42.905 41.369 1.536 RESID 18 (L): H 7.814 7.814 8.027 -0.213 RESID 19 (G): N 108.484 108.484 108.340 0.144 RESID 19 (G): C 174.967 174.967 175.492 -0.525 RESID 19 (G): CA 45.518 45.518 46.999 -1.481 RESID 19 (G): H 8.032 8.032 8.045 -0.013 RESID 20 (A): N 124.208 124.208 123.858 0.350 RESID 20 (A): C 179.405 179.405 179.379 0.026 RESID 20 (A): CA 54.531 54.531 54.357 0.174 RESID 20 (A): CB 18.995 18.995 18.080 0.915 RESID 20 (A): H 8.318 8.318 8.034 0.284 RESID 21 (G): N 108.209 108.209 107.220 0.989 RESID 21 (G): C 175.676 175.676 176.252 -0.576 RESID 21 (G): CA 46.742 46.742 47.226 -0.484 RESID 21 (G): H 8.523 8.523 8.057 0.466 RESID 22 (T): N 119.542 119.542 118.619 0.923 RESID 22 (T): C 175.661 175.661 176.018 -0.357 RESID 22 (T): CA 66.401 66.401 65.809 0.592 RESID 22 (T): CB 68.866 68.866 68.605 0.261 RESID 22 (T): H 7.881 7.881 8.312 -0.431 RESID 23 (A): N 123.431 123.431 124.126 -0.695 RESID 23 (A): C 178.628 178.628 178.996 -0.368 RESID 23 (A): CA 55.480 55.480 54.948 0.532 RESID 23 (A): CB 18.218 18.218 17.998 0.220 RESID 23 (A): H 8.263 8.263 7.490 0.772 RESID 24 (A): N 119.939 119.939 120.741 -0.802 RESID 24 (A): C 179.172 179.172 179.434 -0.262 RESID 24 (A): CA 55.038 55.038 55.030 0.008 RESID 24 (A): CB 18.385 18.385 18.267 0.117 RESID 24 (A): H 7.827 7.827 8.373 -0.546 RESID 25 (C): N 116.736 116.736 117.739 -1.003 RESID 25 (C): C 176.220 176.220 176.770 -0.550 RESID 25 (C): CA 58.596 58.596 62.537 -3.941 RESID 25 (C): CB 41.771 41.771 26.984 14.787 RESID 25 (C): H 7.677 7.677 7.478 0.199 RESID 26 (I): N 119.154 119.154 119.142 0.012 RESID 26 (I): C 176.915 176.915 177.327 -0.412 RESID 26 (I): CA 64.858 64.858 64.557 0.301 RESID 26 (I): CB 38.090 38.090 37.102 0.988 RESID 26 (I): H 7.899 7.899 7.588 0.311 RESID 27 (A): N 121.116 121.116 121.832 -0.716 RESID 27 (A): C 179.016 179.016 178.829 0.187 RESID 27 (A): CA 55.367 55.367 55.076 0.291 RESID 27 (A): CB 18.385 18.385 18.262 0.123 RESID 27 (A): H 7.909 7.909 7.835 0.074 RESID 28 (D): N 116.829 116.829 118.373 -1.544 RESID 28 (D): C 177.643 177.643 178.238 -0.595 RESID 28 (D): CA 56.453 56.453 56.262 0.191 RESID 28 (D): CB 41.128 41.128 41.254 -0.126 RESID 28 (D): H 7.554 7.554 7.473 0.081 RESID 29 (L): N 119.672 119.672 120.302 -0.630 RESID 29 (L): C 178.628 178.628 179.440 -0.812 RESID 29 (L): CA 57.144 57.144 58.112 -0.968 RESID 29 (L): CB 43.146 43.146 41.943 1.203 RESID 29 (L): H 7.732 7.732 7.293 0.439 RESID 30 (I): N 113.629 113.629 117.804 -4.175 RESID 30 (I): C 176.456 176.456 176.554 -0.098 RESID 30 (I): CA 60.539 60.539 63.360 -2.821 RESID 30 (I): CB 38.506 38.506 38.185 0.321 RESID 30 (I): H 7.977 7.977 7.595 0.382 RESID 31 (T): N 113.314 113.314 115.216 -1.902 RESID 31 (T): C 174.045 174.045 175.567 -1.522 RESID 31 (T): CA 62.495 62.495 63.892 -1.397 RESID 31 (T): CB 69.898 69.898 70.048 -0.150 RESID 31 (T): H 7.738 7.738 7.120 0.618 RESID 32 (F): N 123.409 123.409 123.909 -0.500 RESID 32 (F): CA 56.349 56.349 62.293 -5.944 RESID 32 (F): CB 39.148 39.148 37.080 2.068 RESID 32 (F): H 7.609 7.609 8.326 -0.717 RESID 33 (P): C 177.831 177.831 177.777 0.054 RESID 33 (P): CA 62.656 62.656 65.271 -2.615 RESID 33 (P): CB 34.762 34.762 31.046 3.716 RESID 34 (L): N 124.503 124.503 118.084 6.419 RESID 34 (L): C 176.298 176.298 178.156 -1.858 RESID 34 (L): CA 55.545 55.545 58.120 -2.575 RESID 34 (L): CB 43.287 43.287 41.477 1.810 RESID 34 (L): H 8.659 8.659 7.309 1.350 RESID 35 (D): N 121.663 121.663 118.086 3.577 RESID 35 (D): C 177.152 177.152 178.079 -0.927 RESID 35 (D): CA 54.326 54.326 56.950 -2.624 RESID 35 (D): CB 41.154 41.154 39.486 1.668 RESID 35 (D): H 8.236 8.236 7.704 0.532 RESID 36 (T): N 115.977 115.977 111.858 4.119 RESID 36 (T): C 177.088 177.088 176.178 0.910 RESID 36 (T): CA 64.868 64.868 65.416 -0.548 RESID 36 (T): CB 69.053 69.053 68.512 0.541 RESID 36 (T): H 8.127 8.127 7.633 0.494 RESID 37 (A): N 125.063 125.063 124.066 0.997 RESID 37 (A): C 179.143 179.143 179.579 -0.436 RESID 37 (A): CA 55.234 55.234 54.839 0.395 RESID 37 (A): CB 18.735 18.735 18.154 0.581 RESID 37 (A): H 8.042 8.042 8.431 -0.389 RESID 38 (K): N 117.827 117.827 118.014 -0.187 RESID 38 (K): C 178.239 178.239 178.348 -0.109 RESID 38 (K): CA 58.861 58.861 59.150 -0.289 RESID 38 (K): CB 32.724 32.724 32.385 0.339 RESID 38 (K): H 7.759 7.759 7.506 0.253 RESID 39 (V): N 118.955 118.955 113.894 5.061 RESID 39 (V): C 177.892 177.892 178.127 -0.235 RESID 39 (V): CA 65.478 65.478 64.864 0.614 RESID 39 (V): CB 34.675 34.675 31.779 2.896 RESID 39 (V): H 7.554 7.554 7.433 0.121 RESID 40 (R): N 119.922 119.922 119.624 0.298 RESID 40 (R): C 178.391 178.391 178.787 -0.396 RESID 40 (R): CA 59.648 59.648 57.801 1.847 RESID 40 (R): CB 29.933 29.933 29.940 -0.007 RESID 40 (R): H 7.794 7.794 7.433 0.361 RESID 41 (L): N 118.720 118.720 121.720 -3.000 RESID 41 (L): CA 54.749 54.749 54.672 0.077 RESID 41 (L): CB 40.429 40.429 39.703 0.726 RESID 41 (L): H 7.534 7.534 7.829 -0.295 RESID 49 (G): C 174.779 174.779 175.590 -0.811 RESID 50 (L): N 123.029 123.029 122.135 0.894 RESID 50 (L): C 178.482 178.482 178.630 -0.148 RESID 50 (L): CA 56.765 56.765 57.189 -0.424 RESID 50 (L): CB 41.673 41.673 41.522 0.151 RESID 50 (L): H 8.113 8.113 7.957 0.156 RESID 51 (V): N 118.714 118.714 118.778 -0.064 RESID 51 (V): C 178.032 178.032 178.372 -0.340 RESID 51 (V): CA 66.037 66.037 66.594 -0.557 RESID 51 (V): CB 30.763 30.763 30.943 -0.180 RESID 51 (V): H 7.974 7.974 8.139 -0.165 RESID 52 (R): N 121.569 121.569 117.775 3.794 RESID 52 (R): CA 59.167 59.167 58.738 0.429 RESID 52 (R): CB 29.437 29.437 29.587 -0.150 RESID 52 (R): H 8.231 8.231 8.320 -0.089 RESID 53 (T): C 175.108 175.108 174.941 0.167 RESID 53 (T): H 7.948 7.948 7.398 0.550 RESID 54 (A): N 121.823 121.823 123.675 -1.852 RESID 54 (A): C 174.922 174.922 176.164 -1.242 RESID 54 (A): CA 50.101 50.101 50.452 -0.351 RESID 54 (A): CB 18.950 18.950 18.892 0.058 RESID 54 (A): H 7.792 7.792 7.679 0.113 RESID 55 (A): N 113.986 113.986 124.088 -10.102 RESID 55 (A): C 178.007 178.007 177.239 0.768 RESID 55 (A): CA 53.458 53.458 53.996 -0.538 RESID 55 (A): CB 18.809 18.809 18.627 0.182 RESID 55 (A): H 7.333 7.333 8.622 -1.289 RESID 56 (S): N 125.425 125.425 112.918 12.507 RESID 56 (S): C 174.899 174.899 174.127 0.772 RESID 56 (S): CA 59.520 59.520 57.207 2.313 RESID 56 (S): CB 64.051 64.051 64.722 -0.671 RESID 56 (S): H 7.786 7.786 7.399 0.387 RESID 57 (A): N 118.183 118.183 121.221 -3.038 RESID 57 (A): CA 53.783 53.783 52.734 1.049 RESID 57 (A): CB 17.599 17.599 17.633 -0.034 RESID 57 (A): H 8.018 8.018 8.012 0.006 RESID 59 (Y): C 177.662 177.662 176.332 1.330 RESID 60 (R): N 122.798 122.798 118.206 4.592 RESID 60 (R): C 177.956 177.956 175.566 2.390 RESID 60 (R): CA 58.711 58.711 55.827 2.884 RESID 60 (R): CB 30.659 30.659 31.832 -1.173 RESID 60 (R): H 8.311 8.311 8.101 0.210 RESID 61 (G): N 109.033 109.033 112.152 -3.119 RESID 61 (G): C 176.064 176.064 175.342 0.722 RESID 61 (G): CA 46.592 46.592 45.292 1.300 RESID 61 (G): H 8.182 8.182 8.358 -0.176 RESID 62 (V): N 123.218 123.218 126.390 -3.172 RESID 62 (V): C 177.540 177.540 177.719 -0.179 RESID 62 (V): CA 66.277 66.277 64.918 1.359 RESID 62 (V): CB 32.355 32.355 31.712 0.643 RESID 62 (V): H 8.105 8.105 8.520 -0.415 RESID 63 (L): N 120.295 120.295 120.487 -0.192 RESID 63 (L): C 178.628 178.628 179.338 -0.710 RESID 63 (L): CA 58.366 58.366 57.745 0.621 RESID 63 (L): CB 41.675 41.675 39.936 1.739 RESID 63 (L): H 8.182 8.182 8.351 -0.169 RESID 64 (G): N 106.013 106.013 106.322 -0.309 RESID 64 (G): C 176.531 176.531 176.304 0.227 RESID 64 (G): CA 47.765 47.765 47.365 0.400 RESID 64 (G): H 8.102 8.102 8.388 -0.286 RESID 65 (T): N 120.842 120.842 119.314 1.528 RESID 65 (T): C 176.453 176.453 176.540 -0.087 RESID 65 (T): CA 67.140 67.140 67.361 -0.221 RESID 65 (T): CB 69.161 69.161 68.621 0.540 RESID 65 (T): H 7.854 7.854 7.468 0.386 RESID 66 (I): N 122.676 122.676 121.001 1.675 RESID 66 (I): C 177.307 177.307 177.508 -0.201 RESID 66 (I): CA 65.832 65.832 65.013 0.819 RESID 66 (I): CB 38.090 38.090 37.614 0.476 RESID 66 (I): H 8.018 8.018 7.459 0.559 RESID 67 (L): N 119.838 119.838 119.416 0.422 RESID 67 (L): C 178.706 178.706 178.603 0.103 RESID 67 (L): CA 58.491 58.491 58.053 0.438 RESID 67 (L): CB 41.387 41.387 40.876 0.511 RESID 67 (L): H 8.291 8.291 7.614 0.676 RESID 68 (T): N 115.362 115.362 115.473 -0.111 RESID 68 (T): C 176.764 176.764 176.492 0.272 RESID 68 (T): CA 67.040 67.040 66.543 0.497 RESID 68 (T): CB 69.403 69.403 68.867 0.536 RESID 68 (T): H 7.963 7.963 7.325 0.638 RESID 69 (M): N 122.960 122.960 119.556 3.404 RESID 69 (M): C 177.153 177.153 177.866 -0.713 RESID 69 (M): CA 59.710 59.710 58.731 0.979 RESID 69 (M): CB 33.111 33.111 31.795 1.316 RESID 69 (M): H 7.977 7.977 7.625 0.352 RESID 70 (V): N 119.558 119.558 120.273 -0.715 RESID 70 (V): C 176.841 176.841 177.347 -0.506 RESID 70 (V): CA 66.277 66.277 64.549 1.728 RESID 70 (V): CB 31.362 31.362 31.873 -0.511 RESID 70 (V): H 7.751 7.751 7.543 0.208 RESID 71 (R): N 118.002 118.002 118.400 -0.398 RESID 71 (R): C 177.152 177.152 177.788 -0.636 RESID 71 (R): CA 58.761 58.761 58.310 0.451 RESID 71 (R): CB 30.656 30.656 30.089 0.567 RESID 71 (R): H 7.827 7.827 7.545 0.282 RESID 72 (T): N 111.410 111.410 114.887 -3.477 RESID 72 (T): C 175.288 175.288 175.419 -0.131 RESID 72 (T): CA 64.194 64.194 66.115 -1.921 RESID 72 (T): CB 70.312 70.312 69.000 1.312 RESID 72 (T): H 7.745 7.745 7.666 0.079 RESID 73 (E): N 120.577 120.577 119.137 1.440 RESID 73 (E): C 177.696 177.696 176.061 1.635 RESID 73 (E): CA 57.363 57.363 55.926 1.437 RESID 73 (E): CB 30.927 30.927 31.731 -0.804 RESID 73 (E): H 8.263 8.263 8.000 0.263 RESID 74 (G): N 108.209 108.209 106.977 1.232 RESID 74 (G): CA 45.593 45.593 44.615 0.978 RESID 74 (G): H 7.841 7.841 7.383 0.458 RESID 75 (P): C 177.152 177.152 178.514 -1.362 RESID 75 (P): CA 65.652 65.652 64.420 1.232 RESID 75 (P): CB 32.294 32.294 32.267 0.027 RESID 76 (R): N 118.553 118.553 117.446 1.107 RESID 76 (R): C 177.696 177.696 177.402 0.294 RESID 76 (R): CA 59.785 59.785 58.292 1.493 RESID 76 (R): CB 29.671 29.671 29.614 0.056 RESID 76 (R): H 8.427 8.427 8.582 -0.155 RESID 77 (S): N 115.323 115.323 114.447 0.876 RESID 77 (S): C 177.230 177.230 175.677 1.553 RESID 77 (S): CA 61.318 61.318 60.812 0.506 RESID 77 (S): CB 63.281 63.281 63.274 0.007 RESID 77 (S): H 7.963 7.963 8.136 -0.173 RESID 78 (L): N 122.598 122.598 120.774 1.824 RESID 78 (L): C 177.696 177.696 177.162 0.534 RESID 78 (L): CA 57.792 57.792 56.593 1.199 RESID 78 (L): CB 42.202 42.202 42.492 -0.290 RESID 78 (L): H 7.595 7.595 7.516 0.079 RESID 79 (Y): N 119.276 119.276 113.103 6.173 RESID 79 (Y): C 176.142 176.142 175.663 0.479 RESID 79 (Y): CA 60.792 60.792 58.262 2.530 RESID 79 (Y): CB 38.687 38.687 38.908 -0.221 RESID 79 (Y): H 7.868 7.868 7.548 0.320 RESID 80 (N): N 117.249 117.249 118.548 -1.299 RESID 80 (N): C 178.472 178.472 175.558 2.914 RESID 80 (N): CA 53.024 53.024 53.484 -0.460 RESID 80 (N): CB 37.946 37.946 38.611 -0.665 RESID 80 (N): H 8.374 8.374 7.368 1.006 RESID 81 (G): N 108.575 108.575 114.601 -6.026 RESID 81 (G): C 175.521 175.521 175.471 0.050 RESID 81 (G): CA 46.266 46.266 45.440 0.826 RESID 81 (G): H 8.086 8.086 8.663 -0.577 RESID 82 (L): N 124.326 124.326 121.445 2.881 RESID 82 (L): C 178.239 178.239 177.544 0.695 RESID 82 (L): CA 58.217 58.217 57.987 0.230 RESID 82 (L): CB 42.351 42.351 40.579 1.772 RESID 82 (L): H 7.991 7.991 7.211 0.780 RESID 83 (V): N 117.727 117.727 119.167 -1.440 RESID 83 (V): C 177.851 177.851 176.820 1.031 RESID 83 (V): CA 64.113 64.113 64.230 -0.117 RESID 83 (V): CB 31.924 31.924 31.420 0.504 RESID 83 (V): H 8.004 8.004 8.139 -0.135 RESID 84 (A): N 121.414 121.414 121.585 -0.171 RESID 84 (A): C 180.570 180.570 179.681 0.889 RESID 84 (A): CA 55.031 55.031 54.709 0.322 RESID 84 (A): CB 18.286 18.286 18.183 0.103 RESID 84 (A): H 7.677 7.677 7.300 0.377 RESID 85 (G): N 106.471 106.471 107.577 -1.106 RESID 85 (G): C 175.521 175.521 176.030 -0.509 RESID 85 (G): CA 47.191 47.191 46.718 0.473 RESID 85 (G): H 7.963 7.963 7.679 0.284 RESID 86 (L): N 122.326 122.326 122.242 0.084 RESID 86 (L): C 178.239 178.239 178.690 -0.451 RESID 86 (L): CA 57.493 57.493 57.982 -0.489 RESID 86 (L): CB 42.202 42.202 41.617 0.585 RESID 86 (L): H 8.100 8.100 7.463 0.637 RESID 87 (Q): N 117.736 117.736 118.029 -0.293 RESID 87 (Q): C 177.340 177.340 178.050 -0.710 RESID 87 (Q): CA 57.787 57.787 59.015 -1.228 RESID 87 (Q): CB 28.942 28.942 28.161 0.781 RESID 87 (Q): H 8.004 8.004 7.851 0.153 RESID 88 (R): N 118.107 118.107 120.457 -2.350 RESID 88 (R): C 177.930 177.930 178.788 -0.858 RESID 88 (R): CA 58.062 58.062 59.866 -1.804 RESID 88 (R): CB 30.774 30.774 29.982 0.792 RESID 88 (R): H 7.568 7.568 7.326 0.242 RESID 89 (Q): N 117.921 117.921 117.458 0.463 RESID 89 (Q): C 177.375 177.375 178.500 -1.125 RESID 89 (Q): CA 56.838 56.838 58.227 -1.389 RESID 89 (Q): CB 29.006 29.006 28.141 0.865 RESID 89 (Q): H 7.827 7.827 7.591 0.236 RESID 90 (M): N 118.378 118.378 120.621 -2.243 RESID 90 (M): C 176.365 176.365 177.939 -1.574 RESID 90 (M): CA 56.339 56.339 57.908 -1.569 RESID 90 (M): CB 33.444 33.444 32.213 1.231 RESID 90 (M): H 7.963 7.963 8.533 -0.570 RESID 91 (S): N 115.089 115.089 115.560 -0.471 RESID 91 (S): C 175.899 175.899 176.728 -0.829 RESID 91 (S): CA 58.621 58.621 61.147 -2.526 RESID 91 (S): CB 64.337 64.337 62.777 1.560 RESID 91 (S): H 7.868 7.868 7.871 -0.003 RESID 92 (F): N 122.852 122.852 123.077 -0.225 RESID 92 (F): C 177.375 177.375 176.542 0.833 RESID 92 (F): CA 59.095 59.095 61.432 -2.337 RESID 92 (F): CB 38.937 38.937 39.018 -0.081 RESID 92 (F): H 8.332 8.332 7.601 0.731 RESID 93 (A): N 123.258 123.258 119.068 4.190 RESID 93 (A): C 178.628 178.628 178.397 0.231 RESID 93 (A): CA 54.881 54.881 54.383 0.498 RESID 93 (A): CB 17.902 17.902 18.172 -0.270 RESID 93 (A): H 8.223 8.223 7.623 0.600 RESID 94 (S): N 112.886 112.886 114.386 -1.500 RESID 94 (S): C 176.831 176.831 176.917 -0.086 RESID 94 (S): CA 60.319 60.319 60.714 -0.395 RESID 94 (S): CB 63.611 63.611 63.561 0.050 RESID 94 (S): H 7.977 7.977 7.444 0.533 RESID 95 (V): N 121.854 121.854 122.861 -1.007 RESID 95 (V): C 176.220 176.220 175.926 0.294 RESID 95 (V): CA 64.629 64.629 64.508 0.121 RESID 95 (V): CB 31.328 31.328 31.337 -0.009 RESID 95 (V): H 7.581 7.581 8.080 -0.499 RESID 96 (R): N 121.329 121.329 118.531 2.798 RESID 96 (R): C 176.814 176.814 177.237 -0.423 RESID 96 (R): CA 58.636 58.636 57.646 0.990 RESID 96 (R): CB 30.672 30.672 29.337 1.335 RESID 96 (R): H 7.936 7.936 7.213 0.723 RESID 97 (I): N 119.194 119.194 118.454 0.740 RESID 97 (I): C 177.152 177.152 176.125 1.027 RESID 97 (I): CA 63.296 63.296 61.778 1.518 RESID 97 (I): CB 38.757 38.757 38.389 0.368 RESID 97 (I): H 7.802 7.802 7.487 0.315 RESID 98 (G): N 109.857 109.857 108.024 1.833 RESID 98 (G): C 176.064 176.064 175.208 0.856 RESID 98 (G): CA 46.941 46.941 46.112 0.829 RESID 98 (G): H 8.127 8.127 7.678 0.449 RESID 99 (L): N 123.258 123.258 122.613 0.645 RESID 99 (L): C 177.856 177.856 178.042 -0.186 RESID 99 (L): CA 58.264 58.264 57.157 1.107 RESID 99 (L): CB 42.488 42.488 41.675 0.813 RESID 99 (L): H 8.223 8.223 7.996 0.227 RESID 100 (Y): N 119.770 119.770 120.666 -0.896 RESID 100 (Y): C 176.997 176.997 177.020 -0.023 RESID 100 (Y): CA 61.592 61.592 62.544 -0.952 RESID 100 (Y): CB 38.809 38.809 38.511 0.298 RESID 100 (Y): H 8.207 8.207 8.055 0.152 RESID 101 (D): N 118.460 118.460 118.008 0.452 RESID 101 (D): C 178.939 178.939 178.520 0.419 RESID 101 (D): CA 57.797 57.797 57.408 0.389 RESID 101 (D): CB 40.498 40.498 40.615 -0.117 RESID 101 (D): H 8.401 8.401 8.537 -0.136 RESID 102 (S): N 116.022 116.022 115.237 0.785 RESID 102 (S): C 176.005 176.005 176.273 -0.268 RESID 102 (S): CA 62.791 62.791 61.424 1.367 RESID 102 (S): CB 64.211 64.211 63.194 1.017 RESID 102 (S): H 7.854 7.854 7.683 0.171 RESID 103 (V): N 120.844 120.844 121.188 -0.344 RESID 103 (V): C 177.307 177.307 177.460 -0.153 RESID 103 (V): CA 66.510 66.510 65.560 0.950 RESID 103 (V): CB 31.965 31.965 31.495 0.470 RESID 103 (V): H 7.926 7.926 7.671 0.255 RESID 104 (K): N 120.468 120.468 119.427 1.041 RESID 104 (K): C 178.861 178.861 179.001 -0.140 RESID 104 (K): CA 60.184 60.184 59.346 0.838 RESID 104 (K): CB 31.979 31.979 31.792 0.187 RESID 104 (K): H 8.127 8.127 8.020 0.107 RESID 105 (Q): N 118.386 118.386 116.939 1.447 RESID 105 (Q): C 177.540 177.540 177.757 -0.217 RESID 105 (Q): CA 58.786 58.786 57.385 1.401 RESID 105 (Q): CB 28.377 28.377 28.649 -0.272 RESID 105 (Q): H 7.841 7.841 7.728 0.113 RESID 106 (F): N 119.471 119.471 117.906 1.565 RESID 106 (F): C 176.531 176.531 175.457 1.074 RESID 106 (F): CA 60.593 60.593 60.241 0.352 RESID 106 (F): CB 39.459 39.459 39.286 0.173 RESID 106 (F): H 7.772 7.772 7.471 0.301 RESID 107 (Y): N 118.288 118.288 113.099 5.189 RESID 107 (Y): C 176.220 176.220 176.647 -0.427 RESID 107 (Y): CA 60.543 60.543 57.953 2.591 RESID 107 (Y): CB 38.819 38.819 40.413 -1.594 RESID 107 (Y): H 8.045 8.045 7.372 0.673 RESID 108 (T): N 113.383 113.383 112.104 1.279 RESID 108 (T): C 175.288 175.288 175.212 0.076 RESID 108 (T): CA 64.094 64.094 62.035 2.059 RESID 108 (T): CB 69.986 69.986 68.777 1.209 RESID 108 (T): H 7.868 7.868 7.577 0.291 RESID 113 (H): C 173.413 173.413 174.303 -0.890 RESID 113 (H): H 7.968 7.968 8.642 -0.674 RESID 114 (A): N 119.456 119.456 124.715 -5.259 RESID 114 (A): C 177.851 177.851 176.306 1.545 RESID 114 (A): CA 53.283 53.283 52.303 0.980 RESID 114 (A): CB 19.362 19.362 19.275 0.087 RESID 114 (A): H 8.433 8.433 7.907 0.526 RESID 115 (G): N 108.484 108.484 106.116 2.368 RESID 115 (G): C 174.822 174.822 175.011 -0.189 RESID 115 (G): CA 45.968 45.968 44.940 1.028 RESID 115 (G): H 8.250 8.250 8.154 0.096 RESID 116 (I): N 121.139 121.139 121.782 -0.643 RESID 116 (I): C 176.841 176.841 177.774 -0.933 RESID 116 (I): CA 63.160 63.160 63.230 -0.070 RESID 116 (I): CB 38.853 38.853 37.311 1.542 RESID 116 (I): H 8.127 8.127 8.133 -0.006 RESID 117 (G): N 110.863 110.863 107.301 3.562 RESID 117 (G): C 174.588 174.588 176.569 -1.981 RESID 117 (G): CA 46.791 46.791 47.316 -0.525 RESID 117 (G): H 8.509 8.509 8.385 0.124 RESID 118 (S): N 116.069 116.069 117.414 -1.345 RESID 118 (S): C 175.754 175.754 176.870 -1.116 RESID 118 (S): CA 60.319 60.319 61.700 -1.381 RESID 118 (S): CB 63.864 63.864 62.945 0.919 RESID 118 (S): H 7.991 7.991 8.090 -0.099 RESID 119 (R): N 122.134 122.134 121.046 1.088 RESID 119 (R): C 178.228 178.228 178.772 -0.544 RESID 119 (R): CA 57.787 57.787 59.764 -1.977 RESID 119 (R): CB 30.549 30.549 30.201 0.348 RESID 119 (R): H 7.963 7.963 8.368 -0.405 RESID 120 (L): N 120.403 120.403 121.231 -0.828 RESID 120 (L): C 177.230 177.230 179.245 -2.015 RESID 120 (L): CA 57.967 57.967 58.825 -0.858 RESID 120 (L): CB 42.146 42.146 41.768 0.378 RESID 120 (L): H 7.914 7.914 7.662 0.252 RESID 121 (L): N 118.960 118.960 119.518 -0.558 RESID 121 (L): C 177.152 177.152 179.050 -1.898 RESID 121 (L): CA 55.495 55.495 58.230 -2.735 RESID 121 (L): CB 42.238 42.238 41.149 1.089 RESID 121 (L): H 7.718 7.718 8.299 -0.581 RESID 122 (A): N 123.063 123.063 122.186 0.877 RESID 122 (A): C 178.317 178.317 180.195 -1.878 RESID 122 (A): CA 53.358 53.358 55.175 -1.817 RESID 122 (A): CB 19.218 19.218 18.526 0.692 RESID 122 (A): H 7.745 7.745 8.972 -1.227 RESID 123 (G): N 107.843 107.843 106.833 1.010 RESID 123 (G): C 176.912 176.912 176.675 0.237 RESID 123 (G): CA 45.943 45.943 47.347 -1.404 RESID 123 (G): H 8.113 8.113 8.986 -0.873 RESID 124 (S): N 116.105 116.105 118.101 -1.996 RESID 124 (S): C 175.574 175.574 176.964 -1.390 RESID 124 (S): CA 59.145 59.145 62.214 -3.069 RESID 124 (S): CB 64.211 64.211 63.014 1.197 RESID 124 (S): H 8.109 8.109 8.596 -0.487 RESID 125 (T): N 116.069 116.069 115.009 1.060 RESID 125 (T): C 176.055 176.055 176.884 -0.829 RESID 125 (T): CA 66.921 66.921 65.959 0.962 RESID 125 (T): CB 69.682 69.682 68.750 0.932 RESID 125 (T): H 8.086 8.086 8.480 -0.394 RESID 126 (T): N 115.439 115.439 115.697 -0.258 RESID 126 (T): C 177.443 177.443 176.738 0.705 RESID 126 (T): CA 65.285 65.285 66.217 -0.932 RESID 126 (T): CB 68.364 68.364 67.984 0.380 RESID 126 (T): H 7.977 7.977 8.445 -0.468 RESID 127 (G): N 115.453 115.453 109.587 5.866 RESID 127 (G): C 174.215 174.215 175.101 -0.886 RESID 127 (G): CA 46.117 46.117 46.776 -0.659 RESID 127 (G): H 8.168 8.168 8.179 -0.011 RESID 128 (A): N 123.952 123.952 124.580 -0.628 RESID 128 (A): C 178.162 178.162 179.822 -1.660 RESID 128 (A): CA 53.349 53.349 54.680 -1.331 RESID 128 (A): CB 19.099 19.099 18.290 0.809 RESID 128 (A): H 7.919 7.919 7.468 0.451 RESID 129 (L): N 120.025 120.025 118.730 1.295 RESID 129 (L): C 177.949 177.949 178.968 -1.019 RESID 129 (L): CA 56.019 56.019 57.453 -1.434 RESID 129 (L): CB 42.340 42.340 41.876 0.464 RESID 129 (L): H 7.936 7.936 7.603 0.333 RESID 130 (A): N 123.402 123.402 121.263 2.139 RESID 130 (A): C 177.929 177.929 179.441 -1.512 RESID 130 (A): CA 53.283 53.283 55.225 -1.942 RESID 130 (A): CB 18.964 18.964 18.317 0.647 RESID 130 (A): H 7.868 7.868 8.097 -0.229 RESID 131 (V): N 118.111 118.111 115.786 2.325 RESID 131 (V): C 176.025 176.025 177.650 -1.625 RESID 131 (V): CA 63.180 63.180 64.722 -1.542 RESID 131 (V): CB 32.898 32.898 31.057 1.841 RESID 131 (V): H 7.636 7.636 7.866 -0.230 RESID 132 (A): N 124.047 124.047 122.418 1.629 RESID 132 (A): C 179.008 179.008 178.837 0.171 RESID 132 (A): CA 53.707 53.707 54.676 -0.969 RESID 132 (A): CB 19.150 19.150 18.740 0.410 RESID 132 (A): H 7.911 7.911 7.598 0.313 RESID 133 (V): N 113.349 113.349 116.357 -3.008 RESID 133 (V): C 175.527 175.527 176.470 -0.943 RESID 133 (V): CA 64.115 64.115 63.302 0.813 RESID 133 (V): CB 31.832 31.832 32.322 -0.490 RESID 133 (V): H 7.094 7.094 7.386 -0.292 RESID 134 (A): N 123.224 123.224 121.906 1.318 RESID 134 (A): CA 55.493 55.493 51.205 4.288 RESID 134 (A): H 7.586 7.586 7.601 -0.015 RESID 136 (P): C 177.074 177.074 178.820 -1.746 RESID 137 (T): N 113.281 113.281 110.277 3.004 RESID 137 (T): C 174.485 174.485 176.306 -1.821 RESID 137 (T): CA 64.496 64.496 66.144 -1.647 RESID 137 (T): CB 69.997 69.997 68.569 1.428 RESID 137 (T): H 7.963 7.963 8.125 -0.162 RESID 138 (D): N 122.770 122.770 121.023 1.747 RESID 138 (D): C 178.458 178.458 178.409 0.049 RESID 138 (D): CA 56.776 56.776 57.236 -0.460 RESID 138 (D): CB 41.023 41.023 40.893 0.130 RESID 138 (D): H 8.094 8.094 7.800 0.294 RESID 139 (V): N 119.931 119.931 117.509 2.422 RESID 139 (V): C 177.502 177.502 178.013 -0.511 RESID 139 (V): CA 66.455 66.455 66.080 0.375 RESID 139 (V): CB 32.804 32.804 30.936 1.868 RESID 139 (V): H 7.753 7.753 7.533 0.220 RESID 140 (V): N 120.539 120.539 121.683 -1.144 RESID 140 (V): C 176.232 176.232 178.202 -1.970 RESID 140 (V): CA 66.770 66.770 66.781 -0.011 RESID 140 (V): CB 32.086 32.086 31.389 0.697 RESID 140 (V): H 8.295 8.295 7.863 0.432 RESID 141 (K): N 120.122 120.122 119.868 0.254 RESID 141 (K): C 176.120 176.120 179.020 -2.900 RESID 141 (K): CA 55.991 55.991 59.924 -3.933 RESID 141 (K): CB 31.712 31.712 32.210 -0.498 RESID 141 (K): H 7.698 7.698 7.789 -0.091 RESID 142 (V): N 120.104 120.104 119.729 0.375 RESID 142 (V): CA 63.230 63.230 65.550 -2.320 RESID 142 (V): H 7.772 7.772 7.425 0.347 RESID 143 (R): C 178.401 178.401 178.469 -0.068 RESID 143 (R): H 7.999 7.999 7.735 0.264 RESID 144 (F): N 120.445 120.445 119.437 1.008 RESID 144 (F): C 177.856 177.856 176.349 1.507 RESID 144 (F): CA 61.438 61.438 60.891 0.547 RESID 144 (F): H 8.395 8.395 8.534 -0.139 RESID 145 (Q): N 124.180 124.180 116.604 7.576 RESID 145 (Q): C 174.844 174.844 177.455 -2.611 RESID 145 (Q): CA 56.414 56.414 57.692 -1.278 RESID 145 (Q): CB 30.721 30.721 28.979 1.742 RESID 145 (Q): H 8.094 8.094 7.771 0.323 RESID 146 (A): N 120.452 120.452 119.989 0.463 RESID 146 (A): C 177.929 177.929 177.700 0.229 RESID 146 (A): CA 53.483 53.483 53.248 0.235 RESID 146 (A): CB 18.431 18.431 19.066 -0.635 RESID 146 (A): H 7.939 7.939 7.384 0.555 RESID 147 (Q): N 119.388 119.388 118.431 0.957 RESID 147 (Q): C 176.029 176.029 175.045 0.984 RESID 147 (Q): CA 56.339 56.339 55.785 0.554 RESID 147 (Q): CB 29.444 29.444 28.119 1.325 RESID 147 (Q): H 8.072 8.072 7.465 0.607 RESID 148 (A): N 125.199 125.199 128.512 -3.313 RESID 148 (A): C 177.766 177.766 177.609 0.157 RESID 148 (A): CA 53.108 53.108 52.790 0.318 RESID 148 (A): CB 19.151 19.151 19.204 -0.053 RESID 148 (A): H 8.055 8.055 8.136 -0.081 RESID 149 (R): N 120.208 120.208 120.823 -0.615 RESID 149 (R): CA 56.414 56.414 55.772 0.642 RESID 149 (R): CB 30.749 30.749 29.866 0.883 RESID 149 (R): H 8.018 8.018 8.157 -0.139 RESID 159 (T): C 175.928 175.928 176.445 -0.517 RESID 160 (V): N 118.321 118.321 120.553 -2.232 RESID 160 (V): C 177.749 177.749 177.903 -0.154 RESID 160 (V): CA 64.126 64.126 65.830 -1.704 RESID 160 (V): CB 31.343 31.343 30.946 0.397 RESID 160 (V): H 8.073 8.073 7.928 0.145 RESID 161 (E): N 122.379 122.379 120.228 2.151 RESID 161 (E): C 178.783 178.783 178.335 0.448 RESID 161 (E): CA 59.550 59.550 59.097 0.453 RESID 161 (E): CB 29.597 29.597 28.899 0.698 RESID 161 (E): H 8.204 8.204 7.732 0.472 RESID 162 (A): N 122.845 122.845 123.718 -0.873 RESID 162 (A): C 179.948 179.948 179.500 0.448 RESID 162 (A): CA 55.181 55.181 55.008 0.173 RESID 162 (A): CB 18.154 18.154 18.438 -0.284 RESID 162 (A): H 7.786 7.786 7.734 0.052 RESID 163 (Y): N 118.902 118.902 119.528 -0.626 RESID 163 (Y): C 177.273 177.273 177.791 -0.518 RESID 163 (Y): CA 61.068 61.068 61.686 -0.618 RESID 163 (Y): CB 37.898 37.898 38.620 -0.722 RESID 163 (Y): H 7.922 7.922 8.022 -0.100 RESID 164 (K): N 119.939 119.939 118.301 1.638 RESID 164 (K): C 178.239 178.239 179.106 -0.867 RESID 164 (K): CA 60.309 60.309 59.642 0.667 RESID 164 (K): CB 32.504 32.504 32.698 -0.194 RESID 164 (K): H 8.223 8.223 7.682 0.541 RESID 165 (T): N 115.262 115.262 112.634 2.628 RESID 165 (T): C 175.676 175.676 176.614 -0.938 RESID 165 (T): CA 66.516 66.516 65.899 0.617 RESID 165 (T): CB 69.367 69.367 68.758 0.609 RESID 165 (T): H 7.745 7.745 7.795 -0.050 RESID 166 (I): N 121.571 121.571 117.712 3.859 RESID 166 (I): C 177.307 177.307 177.063 0.244 RESID 166 (I): CA 64.634 64.634 64.188 0.446 RESID 166 (I): CB 38.896 38.896 37.086 1.810 RESID 166 (I): H 7.540 7.540 7.270 0.270 RESID 167 (A): N 121.983 121.983 123.525 -1.542 RESID 167 (A): C 178.395 178.395 180.194 -1.799 RESID 167 (A): CA 54.656 54.656 54.623 0.033 RESID 167 (A): CB 18.486 18.486 18.100 0.386 RESID 167 (A): H 8.059 8.059 7.559 0.500 RESID 168 (R): N 116.369 116.369 118.604 -2.235 RESID 168 (R): C 177.307 177.307 178.445 -1.138 RESID 168 (R): CA 58.486 58.486 59.246 -0.760 RESID 168 (R): CB 30.930 30.930 30.170 0.760 RESID 168 (R): H 7.690 7.690 7.721 -0.031 RESID 169 (E): N 118.667 118.667 117.623 1.044 RESID 169 (E): C 177.696 177.696 178.446 -0.750 RESID 169 (E): CA 58.212 58.212 58.068 0.144 RESID 169 (E): CB 30.357 30.357 29.605 0.752 RESID 169 (E): H 8.045 8.045 7.654 0.391 RESID 170 (E): N 118.202 118.202 118.978 -0.776 RESID 170 (E): C 177.878 177.878 177.396 0.482 RESID 170 (E): CA 57.363 57.363 56.756 0.607 RESID 170 (E): CB 31.277 31.277 30.803 0.474 RESID 170 (E): H 8.550 8.550 8.440 0.110 RESID 171 (G): N 108.941 108.941 107.745 1.196 RESID 171 (G): C 174.433 174.433 175.318 -0.885 RESID 171 (G): CA 45.193 45.193 44.611 0.582 RESID 171 (G): H 7.881 7.881 7.715 0.166 RESID 172 (I): N 120.842 120.842 117.304 3.538 RESID 172 (I): C 176.997 176.997 177.595 -0.598 RESID 172 (I): CA 63.810 63.810 63.579 0.231 RESID 172 (I): CB 38.516 38.516 37.746 0.770 RESID 172 (I): H 8.550 8.550 8.398 0.152 RESID 173 (R): N 119.480 119.480 121.136 -1.656 RESID 173 (R): C 178.084 178.084 178.868 -0.784 RESID 173 (R): CA 58.711 58.711 59.154 -0.443 RESID 173 (R): CB 29.796 29.796 29.581 0.215 RESID 173 (R): H 8.277 8.277 8.604 -0.327 RESID 174 (G): N 106.379 106.379 106.816 -0.437 RESID 174 (G): C 175.210 175.210 175.780 -0.570 RESID 174 (G): CA 46.767 46.767 46.541 0.226 RESID 174 (G): H 7.690 7.690 7.892 -0.202 RESID 175 (L): N 120.664 120.664 120.645 0.019 RESID 175 (L): C 177.971 177.971 178.190 -0.219 RESID 175 (L): CA 57.104 57.104 56.590 0.514 RESID 175 (L): CB 42.559 42.559 41.441 1.117 RESID 175 (L): H 7.554 7.554 7.124 0.430 RESID 176 (W): N 117.031 117.031 116.504 0.527 RESID 176 (W): C 176.987 176.987 177.989 -1.002 RESID 176 (W): CA 57.672 57.672 57.134 0.538 RESID 176 (W): CB 29.796 29.796 28.824 0.972 RESID 176 (W): H 7.499 7.499 7.675 -0.176 RESID 177 (K): N 120.567 120.567 119.980 0.587 RESID 177 (K): C 177.152 177.152 177.747 -0.595 RESID 177 (K): CA 57.712 57.712 59.439 -1.727 RESID 177 (K): CB 32.890 32.890 32.146 0.744 RESID 177 (K): H 7.595 7.595 7.484 0.111 RESID 178 (G): N 108.667 108.667 103.195 5.472 RESID 178 (G): C 174.045 174.045 176.080 -2.035 RESID 178 (G): CA 45.893 45.893 45.686 0.207 RESID 178 (G): H 7.881 7.881 8.048 -0.167 RESID 179 (T): N 115.080 115.080 118.891 -3.811 RESID 179 (T): C 175.192 175.192 176.635 -1.443 RESID 179 (T): CA 66.521 66.521 67.589 -1.068 RESID 179 (T): CB 70.079 70.079 68.709 1.370 RESID 179 (T): H 7.622 7.622 8.087 -0.465 RESID 180 (S): N 117.754 117.754 116.070 1.684 RESID 180 (S): CA 63.123 63.123 62.819 0.304 RESID 180 (S): CB 62.045 62.045 61.530 0.515 RESID 180 (S): H 8.195 8.195 7.941 0.254 RESID 182 (N): C 177.348 177.348 177.679 -0.331 RESID 183 (V): N 118.118 118.118 120.403 -2.285 RESID 183 (V): C 176.944 176.944 176.923 0.021 RESID 183 (V): CA 65.244 65.244 65.839 -0.595 RESID 183 (V): CB 32.508 32.508 31.681 0.827 RESID 183 (V): H 7.861 7.861 7.700 0.161 RESID 184 (A): N 122.284 122.284 121.434 0.850 RESID 184 (A): C 178.317 178.317 179.099 -0.782 RESID 184 (A): CA 55.339 55.339 55.217 0.122 RESID 184 (A): CB 28.230 28.230 18.059 10.171 RESID 184 (A): H 8.097 8.097 7.589 0.508 RESID 185 (R): N 117.321 117.321 119.184 -1.863 RESID 185 (R): C 177.527 177.527 178.130 -0.603 RESID 185 (R): CA 59.543 59.543 59.770 -0.227 RESID 185 (R): CB 29.767 29.767 30.182 -0.415 RESID 185 (R): H 7.611 7.611 7.898 -0.287 RESID 186 (N): N 117.294 117.294 117.727 -0.433 RESID 186 (N): C 176.599 176.599 177.374 -0.775 RESID 186 (N): CA 56.659 56.659 56.328 0.331 RESID 186 (N): CB 39.454 39.454 38.305 1.149 RESID 186 (N): H 8.048 8.048 7.809 0.239 RESID 187 (A): N 121.003 121.003 122.571 -1.568 RESID 187 (A): C 178.713 178.713 179.684 -0.971 RESID 187 (A): CA 55.520 55.520 55.021 0.499 RESID 187 (A): CB 18.097 18.097 18.619 -0.522 RESID 187 (A): H 7.322 7.322 7.724 -0.402 RESID 188 (I): N 119.319 119.319 119.544 -0.225 RESID 188 (I): C 176.634 176.634 178.170 -1.536 RESID 188 (I): CA 64.225 64.225 63.949 0.276 RESID 188 (I): CB 37.658 37.658 36.698 0.960 RESID 188 (I): H 7.779 7.779 8.517 -0.738 RESID 189 (V): N 117.265 117.265 121.418 -4.153 RESID 189 (V): C 177.529 177.529 177.601 -0.072 RESID 189 (V): CA 65.562 65.562 66.538 -0.976 RESID 189 (V): CB 31.407 31.407 31.366 0.041 RESID 189 (V): H 7.776 7.776 8.231 -0.455 RESID 190 (N): N 118.736 118.736 118.209 0.527 RESID 190 (N): C 176.476 176.476 177.089 -0.613 RESID 190 (N): CA 56.813 56.813 56.880 -0.067 RESID 190 (N): CB 38.268 38.268 38.387 -0.119 RESID 190 (N): H 7.800 7.800 7.684 0.116 RESID 191 (C): N 120.152 120.152 118.593 1.559 RESID 191 (C): C 175.831 175.831 176.769 -0.938 RESID 191 (C): CA 60.293 60.293 63.806 -3.513 RESID 191 (C): CB 41.566 41.566 26.365 15.201 RESID 191 (C): H 7.784 7.784 8.156 -0.372 RESID 192 (A): N 121.963 121.963 122.106 -0.143 RESID 192 (A): C 178.395 178.395 179.587 -1.192 RESID 192 (A): CA 55.280 55.280 55.359 -0.079 RESID 192 (A): CB 18.008 18.008 18.074 -0.066 RESID 192 (A): H 8.141 8.141 8.655 -0.514 RESID 193 (E): N 114.548 114.548 120.179 -5.631 RESID 193 (E): C 176.764 176.764 179.136 -2.372 RESID 193 (E): CA 58.262 58.262 58.941 -0.678 RESID 193 (E): CB 29.342 29.342 29.609 -0.267 RESID 193 (E): H 7.595 7.595 8.334 -0.739 RESID 194 (L): N 117.659 117.659 117.355 0.304 RESID 194 (L): C 176.904 176.904 178.910 -2.006 RESID 194 (L): CA 55.695 55.695 58.343 -2.648 RESID 194 (L): CB 41.655 41.655 41.188 0.467 RESID 194 (L): H 7.459 7.459 8.052 -0.593 RESID 195 (V): N 117.842 117.842 117.827 0.015 RESID 195 (V): C 177.150 177.150 177.509 -0.359 RESID 195 (V): CA 64.054 64.054 66.081 -2.027 RESID 195 (V): CB 31.079 31.079 31.655 -0.576 RESID 195 (V): H 7.363 7.363 7.340 0.023 RESID 196 (T): N 122.439 122.439 115.311 7.128 RESID 196 (T): C 175.055 175.055 176.452 -1.397 RESID 196 (T): CA 65.500 65.500 65.929 -0.429 RESID 196 (T): CB 69.490 69.490 68.573 0.916 RESID 196 (T): H 7.940 7.940 7.711 0.229 RESID 197 (Y): N 122.430 122.430 122.665 -0.235 RESID 197 (Y): C 177.152 177.152 177.238 -0.086 RESID 197 (Y): CA 61.892 61.892 62.415 -0.523 RESID 197 (Y): CB 38.085 38.085 38.621 -0.536 RESID 197 (Y): H 9.123 9.123 8.725 0.398 RESID 198 (D): N 117.750 117.750 119.182 -1.432 RESID 198 (D): C 177.696 177.696 178.365 -0.669 RESID 198 (D): CA 57.822 57.822 57.810 0.012 RESID 198 (D): CB 40.500 40.500 40.688 -0.188 RESID 198 (D): H 8.263 8.263 7.860 0.403 RESID 199 (L): N 120.698 120.698 118.189 2.509 RESID 199 (L): C 180.104 180.104 179.189 0.915 RESID 199 (L): CA 58.092 58.092 57.467 0.625 RESID 199 (L): CB 42.559 42.559 41.734 0.824 RESID 199 (L): H 7.636 7.636 7.359 0.277 RESID 200 (I): N 121.136 121.136 118.538 2.598 RESID 200 (I): C 176.919 176.919 177.214 -0.295 RESID 200 (I): CA 65.482 65.482 64.490 0.992 RESID 200 (I): CB 37.949 37.949 37.481 0.468 RESID 200 (I): H 7.718 7.718 7.400 0.318 RESID 201 (K): N 120.587 120.587 118.214 2.373 RESID 201 (K): C 177.696 177.696 178.429 -0.733 RESID 201 (K): CA 60.683 60.683 59.159 1.524 RESID 201 (K): CB 31.809 31.809 32.495 -0.686 RESID 201 (K): H 8.291 8.291 7.620 0.671 RESID 202 (D): N 117.936 117.936 116.916 1.020 RESID 202 (D): C 178.395 178.395 176.608 1.787 RESID 202 (D): CA 57.672 57.672 56.306 1.366 RESID 202 (D): CB 41.355 41.355 41.276 0.079 RESID 202 (D): H 8.182 8.182 7.794 0.388 RESID 203 (T): N 115.914 115.914 114.920 0.994 RESID 203 (T): CA 61.190 61.190 62.438 -1.248 RESID 203 (T): CB 68.738 68.738 69.384 -0.646 RESID 203 (T): H 7.690 7.690 7.670 0.020 RESID 204 (L): C 176.047 176.047 175.158 0.889 RESID 204 (L): H 8.051 8.051 8.896 -0.845 RESID 205 (L): N 118.768 118.768 116.963 1.805 RESID 205 (L): C 179.871 179.871 176.538 3.333 RESID 205 (L): CA 55.867 55.867 54.318 1.549 RESID 205 (L): CB 41.887 41.887 41.664 0.223 RESID 205 (L): H 7.977 7.977 7.754 0.223 RESID 206 (K): N 119.775 119.775 119.386 0.389 RESID 206 (K): C 177.318 177.318 177.077 0.241 RESID 206 (K): CA 58.461 58.461 57.909 0.552 RESID 206 (K): CB 32.734 32.734 32.706 0.028 RESID 206 (K): H 7.677 7.677 8.146 -0.469 RESID 207 (A): N 120.757 120.757 120.930 -0.173 RESID 207 (A): C 176.531 176.531 176.167 0.364 RESID 207 (A): CA 53.083 53.083 52.655 0.428 RESID 207 (A): CB 18.960 18.960 19.621 -0.661 RESID 207 (A): H 7.565 7.565 8.081 -0.516 RESID 208 (N): N 115.463 115.463 113.268 2.195 RESID 208 (N): C 174.822 174.822 174.411 0.411 RESID 208 (N): CA 54.351 54.351 52.588 1.763 RESID 208 (N): CB 38.160 38.160 38.345 -0.185 RESID 208 (N): H 7.936 7.936 7.644 0.292 RESID 212 (D): C 174.735 174.735 175.533 -0.798 RESID 213 (D): N 116.363 116.363 122.899 -6.536 RESID 213 (D): C 175.553 175.553 175.679 -0.126 RESID 213 (D): CA 54.890 54.890 53.359 1.531 RESID 213 (D): CB 38.846 38.846 39.795 -0.949 RESID 213 (D): H 8.129 8.129 7.831 0.298 RESID 214 (L): N 119.486 119.486 122.951 -3.465 RESID 214 (L): CA 59.766 59.766 59.342 0.424 RESID 214 (L): CB 39.579 39.579 39.351 0.228 RESID 214 (L): H 7.821 7.821 8.148 -0.327 RESID 215 (P): C 177.971 177.971 179.098 -1.127 RESID 215 (P): CA 65.938 65.938 65.783 0.155 RESID 215 (P): CB 30.006 30.006 31.028 -1.022 RESID 216 (C): N 114.211 114.211 115.161 -0.950 RESID 216 (C): C 176.142 176.142 177.357 -1.215 RESID 216 (C): CA 58.773 58.773 63.271 -4.498 RESID 216 (C): CB 40.906 40.906 27.111 13.795 RESID 216 (C): H 8.269 8.269 8.333 -0.064 RESID 217 (H): N 120.491 120.491 120.739 -0.248 RESID 217 (H): C 176.747 176.747 177.207 -0.460 RESID 217 (H): CA 57.198 57.198 58.761 -1.563 RESID 217 (H): CB 29.886 29.886 29.217 0.669 RESID 217 (H): H 7.301 7.301 7.722 -0.421 RESID 218 (F): N 120.501 120.501 118.050 2.451 RESID 218 (F): C 176.187 176.187 177.740 -1.553 RESID 218 (F): CA 59.045 59.045 62.140 -3.095 RESID 218 (F): CB 38.901 38.901 38.509 0.392 RESID 218 (F): H 8.127 8.127 7.862 0.265 RESID 219 (T): N 112.682 112.682 112.532 0.150 RESID 219 (T): C 175.997 175.997 176.775 -0.778 RESID 219 (T): CA 64.319 64.319 66.353 -2.034 RESID 219 (T): CB 63.282 63.282 68.256 -4.974 RESID 219 (T): H 7.977 7.977 7.989 -0.012 RESID 220 (S): N 117.589 117.589 118.263 -0.674 RESID 220 (S): C 175.055 175.055 176.577 -1.522 RESID 220 (S): CA 61.344 61.344 61.536 -0.192 RESID 220 (S): CB 63.440 63.440 62.747 0.693 RESID 220 (S): H 8.004 8.004 7.771 0.233 RESID 221 (A): N 123.860 123.860 124.177 -0.317 RESID 221 (A): C 177.618 177.618 179.553 -1.935 RESID 221 (A): CA 53.932 53.932 54.760 -0.827 RESID 221 (A): CB 18.891 18.891 18.162 0.729 RESID 221 (A): H 7.704 7.704 7.689 0.015 RESID 222 (F): N 116.073 116.073 119.866 -3.793 RESID 222 (F): C 176.142 176.142 177.610 -1.468 RESID 222 (F): CA 58.271 58.271 61.169 -2.897 RESID 222 (F): CB 39.554 39.554 39.037 0.517 RESID 222 (F): H 7.718 7.718 8.329 -0.611 RESID 223 (G): N 108.578 108.578 106.302 2.276 RESID 223 (G): C 173.889 173.889 175.550 -1.661 RESID 223 (G): CA 45.993 45.993 47.090 -1.097 RESID 223 (G): H 7.909 7.909 8.137 -0.228 RESID 224 (A): N 123.322 123.322 124.526 -1.204 RESID 224 (A): C 178.550 178.550 179.781 -1.231 RESID 224 (A): CA 53.608 53.608 54.768 -1.160 RESID 224 (A): CB 19.069 19.069 18.308 0.761 RESID 224 (A): H 8.018 8.018 7.908 0.110 RESID 225 (G): N 107.935 107.935 107.644 0.291 RESID 225 (G): C 175.389 175.389 175.648 -0.259 RESID 225 (G): CA 46.967 46.967 46.879 0.088 RESID 225 (G): H 8.304 8.304 8.660 -0.356 RESID 226 (F): N 122.440 122.440 122.627 -0.187 RESID 226 (F): C 176.998 176.998 177.043 -0.045 RESID 226 (F): CA 60.673 60.673 61.018 -0.345 RESID 226 (F): CB 38.319 38.319 39.352 -1.033 RESID 226 (F): H 8.045 8.045 8.018 0.027 RESID 227 (C): N 116.562 116.562 117.376 -0.814 RESID 227 (C): CA 61.301 61.301 62.750 -1.449 RESID 227 (C): CB 41.286 41.286 26.966 14.320 RESID 227 (C): H 8.016 8.016 7.795 0.221 RESID 228 (T): C 176.437 176.437 176.704 -0.267 RESID 228 (T): H 8.410 8.410 8.408 0.002 RESID 229 (T): N 115.234 115.234 117.624 -2.390 RESID 229 (T): C 176.749 176.749 176.295 0.454 RESID 229 (T): CA 65.980 65.980 66.118 -0.138 RESID 229 (T): CB 67.443 67.443 68.319 -0.876 RESID 229 (T): H 8.188 8.188 7.862 0.326 RESID 230 (V): N 120.723 120.723 120.836 -0.113 RESID 230 (V): C 177.983 177.983 177.135 0.848 RESID 230 (V): CA 66.832 66.832 65.452 1.380 RESID 230 (V): CB 31.168 31.168 31.640 -0.472 RESID 230 (V): H 8.027 8.027 7.359 0.668 RESID 231 (I): N 120.541 120.541 118.635 1.906 RESID 231 (I): C 177.368 177.368 177.105 0.263 RESID 231 (I): CA 65.575 65.575 63.468 2.107 RESID 231 (I): CB 37.722 37.722 37.527 0.195 RESID 231 (I): H 8.458 8.458 7.363 1.095 RESID 232 (A): N 122.766 122.766 121.848 0.918 RESID 232 (A): C 178.847 178.847 179.910 -1.063 RESID 232 (A): CA 55.252 55.252 54.828 0.424 RESID 232 (A): CB 17.874 17.874 18.024 -0.150 RESID 232 (A): H 8.589 8.589 7.619 0.970 RESID 233 (S): N 113.387 113.387 114.372 -0.985 RESID 233 (S): CA 62.348 62.348 63.166 -0.818 RESID 233 (S): CB 61.630 61.630 61.498 0.132 RESID 233 (S): H 8.218 8.218 8.020 0.198 RESID 234 (P): C 178.221 178.221 178.386 -0.165 RESID 235 (V): N 116.087 116.087 117.631 -1.544 RESID 235 (V): C 177.089 177.089 177.979 -0.890 RESID 235 (V): CA 65.072 65.072 66.267 -1.195 RESID 235 (V): CB 31.084 31.084 31.090 -0.006 RESID 235 (V): H 8.142 8.142 7.477 0.665 RESID 236 (D): N 121.556 121.556 120.071 1.485 RESID 236 (D): C 177.422 177.422 178.837 -1.415 RESID 236 (D): CA 57.135 57.135 56.850 0.285 RESID 236 (D): CB 40.065 40.065 40.424 -0.359 RESID 236 (D): H 7.932 7.932 7.354 0.578 RESID 237 (V): N 117.233 117.233 120.172 -2.939 RESID 237 (V): CA 64.977 64.977 66.249 -1.272 RESID 237 (V): CB 31.013 31.013 31.592 -0.579 RESID 237 (V): H 7.710 7.710 8.083 -0.373 RESID 238 (V): C 177.584 177.584 178.337 -0.753 RESID 238 (V): H 7.607 7.607 7.795 -0.188 RESID 239 (K): N 120.095 120.095 119.014 1.081 RESID 239 (K): C 178.678 178.678 179.611 -0.933 RESID 239 (K): CA 58.483 58.483 59.119 -0.636 RESID 239 (K): CB 31.863 31.863 31.772 0.091 RESID 239 (K): H 7.761 7.761 7.434 0.327 RESID 240 (T): N 115.247 115.247 115.657 -0.410 RESID 240 (T): C 175.093 175.093 176.472 -1.379 RESID 240 (T): CA 66.458 66.458 65.390 1.068 RESID 240 (T): CB 68.011 68.011 68.828 -0.817 RESID 240 (T): H 7.761 7.761 7.593 0.168 RESID 241 (R): N 119.633 119.633 120.612 -0.979 RESID 241 (R): CA 57.133 57.133 59.520 -2.387 RESID 241 (R): CB 31.218 31.218 30.034 1.184 RESID 241 (R): H 7.383 7.383 7.571 -0.188 RESID 242 (Y): C 174.956 174.956 177.322 -2.366 RESID 242 (Y): H 8.699 8.699 7.687 1.012 RESID 243 (M): N 118.458 118.458 117.467 0.991 RESID 243 (M): C 175.676 175.676 176.564 -0.888 RESID 243 (M): CA 54.417 54.417 56.738 -2.321 RESID 243 (M): H 7.442 7.442 8.181 -0.739 RESID 244 (N): N 116.369 116.369 117.546 -1.177 RESID 244 (N): C 174.919 174.919 175.790 -0.871 RESID 244 (N): CA 59.470 59.470 54.106 5.364 RESID 244 (N): CB 39.079 39.079 39.356 -0.277 RESID 244 (N): H 7.772 7.772 8.030 -0.258 RESID 245 (S): N 114.568 114.568 118.100 -3.532 RESID 245 (S): C 175.695 175.695 173.169 2.526 RESID 245 (S): CA 53.852 53.852 60.588 -6.736 RESID 245 (S): CB 61.232 61.232 62.843 -1.611 RESID 245 (S): H 8.475 8.475 8.673 -0.198 RESID 246 (A): N 127.283 127.283 121.355 5.928 RESID 246 (A): C 177.128 177.128 175.973 1.155 RESID 246 (A): CA 56.803 56.803 52.400 4.403 RESID 246 (A): CB 18.901 18.901 18.192 0.709 RESID 246 (A): H 7.929 7.929 8.034 -0.105 RESID 247 (L): N 118.112 118.112 121.260 -3.148 RESID 247 (L): C 176.723 176.723 176.989 -0.266 RESID 247 (L): CA 54.156 54.156 55.021 -0.865 RESID 247 (L): CB 41.215 41.215 42.931 -1.716 RESID 247 (L): H 7.922 7.922 7.675 0.247 RESID 248 (G): N 107.203 107.203 111.594 -4.391 RESID 248 (G): CA 44.558 44.558 44.546 0.012 RESID 248 (G): H 8.318 8.318 8.405 -0.087 RESID 250 (Y): C 175.942 175.942 176.039 -0.097 RESID 250 (Y): H 8.134 8.134 8.645 -0.511 RESID 251 (H): N 123.281 123.281 118.545 4.736 RESID 251 (H): C 174.531 174.531 174.966 -0.435 RESID 251 (H): CA 58.931 58.931 58.265 0.666 RESID 251 (H): CB 29.525 29.525 30.405 -0.880 RESID 251 (H): H 8.184 8.184 8.443 -0.259 RESID 252 (S): N 110.038 110.038 110.460 -0.422 RESID 252 (S): C 174.429 174.429 174.309 0.120 RESID 252 (S): CA 57.452 57.452 57.455 -0.003 RESID 252 (S): CB 65.022 65.022 65.160 -0.138 RESID 252 (S): H 8.010 8.010 7.916 0.094 RESID 253 (A): N 123.034 123.034 123.334 -0.300 RESID 253 (A): C 179.249 179.249 179.990 -0.741 RESID 253 (A): CA 54.981 54.981 54.562 0.419 RESID 253 (A): CB 19.069 19.069 18.605 0.464 RESID 253 (A): H 8.034 8.034 8.694 -0.660 RESID 254 (G): N 106.379 106.379 106.414 -0.035 RESID 254 (G): C 174.433 174.433 175.707 -1.274 RESID 254 (G): CA 47.615 47.615 46.987 0.628 RESID 254 (G): H 8.427 8.427 8.673 -0.246 RESID 255 (H): N 121.119 121.119 121.106 0.013 RESID 255 (H): C 178.084 178.084 177.010 1.074 RESID 255 (H): CA 60.144 60.144 59.127 1.017 RESID 255 (H): CB 33.073 33.073 29.671 3.402 RESID 255 (H): H 8.304 8.304 8.056 0.248 RESID 256 (C): N 117.946 117.946 117.363 0.583 RESID 256 (C): C 175.453 175.453 176.489 -1.036 RESID 256 (C): CA 58.668 58.668 63.816 -5.148 RESID 256 (C): CB 41.434 41.434 26.508 14.926 RESID 256 (C): H 8.168 8.168 7.938 0.230 RESID 257 (A): N 123.138 123.138 122.932 0.206 RESID 257 (A): C 179.489 179.489 180.011 -0.522 RESID 257 (A): CA 54.589 54.589 55.287 -0.698 RESID 257 (A): CB 17.675 17.675 18.227 -0.552 RESID 257 (A): H 7.932 7.932 7.450 0.481 RESID 258 (L): N 119.779 119.779 117.941 1.838 RESID 258 (L): C 178.234 178.234 179.508 -1.274 RESID 258 (L): CA 56.967 56.967 57.848 -0.881 RESID 258 (L): CB 41.067 41.067 40.797 0.270 RESID 258 (L): H 7.681 7.681 7.841 -0.160 RESID 259 (T): N 114.552 114.552 116.670 -2.118 RESID 259 (T): C 176.244 176.244 176.694 -0.450 RESID 259 (T): CA 66.511 66.511 66.529 -0.018 RESID 259 (T): CB 67.274 67.274 68.535 -1.261 RESID 259 (T): H 7.855 7.855 8.285 -0.430 RESID 260 (M): N 118.862 118.862 120.877 -2.015 RESID 260 (M): C 177.094 177.094 177.725 -0.631 RESID 260 (M): CA 58.532 58.532 58.529 0.003 RESID 260 (M): CB 32.288 32.288 31.865 0.423 RESID 260 (M): H 8.296 8.296 8.620 -0.324 RESID 261 (L): N 116.839 116.839 119.081 -2.242 RESID 261 (L): C 178.162 178.162 179.096 -0.934 RESID 261 (L): CA 58.167 58.167 57.433 0.734 RESID 261 (L): CB 42.202 42.202 41.985 0.217 RESID 261 (L): H 8.053 8.053 7.461 0.592 RESID 262 (R): N 116.821 116.821 117.437 -0.616 RESID 262 (R): CA 58.761 58.761 58.270 0.491 RESID 262 (R): CB 30.825 30.825 30.893 -0.068 RESID 262 (R): H 7.827 7.827 7.637 0.190 RESID 266 (P): C 177.152 177.152 178.221 -1.069 RESID 266 (P): CA 65.152 65.152 64.033 1.119 RESID 267 (R): N 117.739 117.739 119.854 -2.115 RESID 267 (R): C 177.463 177.463 177.858 -0.395 RESID 267 (R): CA 59.335 59.335 58.112 1.223 RESID 267 (R): CB 30.185 30.185 28.970 1.215 RESID 267 (R): H 8.072 8.072 8.495 -0.423 RESID 268 (A): N 121.709 121.709 121.908 -0.199 RESID 268 (A): C 179.251 179.251 180.270 -1.019 RESID 268 (A): CA 54.631 54.631 54.707 -0.076 RESID 268 (A): CB 18.683 18.683 18.186 0.496 RESID 268 (A): H 7.963 7.963 7.841 0.122 RESID 269 (F): N 117.096 117.096 117.469 -0.373 RESID 269 (F): C 175.987 175.987 177.297 -1.310 RESID 269 (F): CA 61.037 61.037 61.420 -0.383 RESID 269 (F): CB 38.637 38.637 38.913 -0.276 RESID 269 (F): H 7.832 7.832 7.817 0.015 RESID 270 (Y): N 118.496 118.496 119.781 -1.285 RESID 270 (Y): C 176.250 176.250 175.836 0.414 RESID 270 (Y): CA 60.116 60.116 59.903 0.213 RESID 270 (Y): CB 38.882 38.882 39.290 -0.408 RESID 270 (Y): H 7.813 7.813 7.709 0.104 RESID 271 (K): N 119.458 119.458 118.011 1.447 RESID 271 (K): C 177.696 177.696 175.730 1.966 RESID 271 (K): CA 57.192 57.192 55.659 1.533 RESID 271 (K): CB 32.734 32.734 33.489 -0.755 RESID 271 (K): H 7.864 7.864 7.955 -0.091 RESID 272 (G): N 106.217 106.217 107.442 -1.225 RESID 272 (G): C 173.967 173.967 173.059 0.908 RESID 272 (G): CA 46.117 46.117 45.241 0.876 RESID 272 (G): H 7.622 7.622 8.363 -0.741 RESID 273 (F): N 118.847 118.847 116.673 2.174 RESID 273 (F): C 175.055 175.055 174.444 0.611 RESID 273 (F): CA 57.721 57.721 56.669 1.052 RESID 273 (F): CB 40.183 40.183 38.859 1.323 RESID 273 (F): H 7.677 7.677 7.434 0.243 RESID 277 (F): C 176.602 176.602 176.938 -0.336 RESID 277 (F): CA 61.838 61.838 61.581 0.257 RESID 277 (F): CB 39.537 39.537 39.200 0.337 RESID 277 (F): H 7.695 7.695 8.078 -0.383 RESID 278 (L): N 118.465 118.465 120.063 -1.598 RESID 278 (L): C 177.152 177.152 178.382 -1.230 RESID 278 (L): CA 56.115 56.115 58.246 -2.131 RESID 278 (L): CB 42.398 42.398 41.919 0.479 RESID 278 (L): H 8.104 8.104 7.924 0.180 RESID 279 (R): N 118.749 118.749 119.255 -0.506 RESID 279 (R): C 176.608 176.608 178.576 -1.968 RESID 279 (R): CA 56.938 56.938 58.901 -1.963 RESID 279 (R): CB 30.659 30.659 29.760 0.899 RESID 279 (R): H 7.472 7.472 8.022 -0.550 RESID 280 (L): N 120.305 120.305 118.971 1.334 RESID 280 (L): C 177.540 177.540 178.378 -0.838 RESID 280 (L): CA 57.094 57.094 58.072 -0.978 RESID 280 (L): CB 42.027 42.027 41.007 1.020 RESID 280 (L): H 7.690 7.690 8.042 -0.352 RESID 281 (G): N 106.837 106.837 106.814 0.023 RESID 281 (G): C 174.045 174.045 175.973 -1.928 RESID 281 (G): CA 46.967 46.967 47.150 -0.183 RESID 281 (G): H 7.881 7.881 7.691 0.190 RESID 282 (S): N 115.531 115.531 118.032 -2.501 RESID 282 (S): C 174.123 174.123 176.899 -2.776 RESID 282 (S): CA 58.796 58.796 60.995 -2.199 RESID 282 (S): CB 58.975 58.975 63.236 -4.261 RESID 282 (S): H 7.813 7.813 7.552 0.261 RESID 283 (W): N 122.851 122.851 122.454 0.397 RESID 283 (W): C 176.142 176.142 178.311 -2.169 RESID 283 (W): CA 59.221 59.221 61.222 -2.001 RESID 283 (W): CB 30.446 30.446 29.210 1.236 RESID 283 (W): H 8.186 8.186 8.548 -0.362 RESID 284 (N): N 118.459 118.459 116.390 2.069 RESID 284 (N): CA 55.325 55.325 56.163 -0.839 RESID 284 (N): CB 39.504 39.504 37.918 1.586 RESID 284 (N): H 8.127 8.127 7.976 0.151 RESID 285 (V): C 177.263 177.263 177.475 -0.212 RESID 285 (V): H 7.854 7.854 7.436 0.418 RESID 286 (V): N 119.883 119.883 119.929 -0.046 RESID 286 (V): C 177.072 177.072 178.412 -1.340 RESID 286 (V): CA 64.717 64.717 66.018 -1.301 RESID 286 (V): CB 29.553 29.553 30.829 -1.276 RESID 286 (V): H 7.483 7.483 7.307 0.176 RESID 287 (M): N 120.401 120.401 117.544 2.857 RESID 287 (M): C 177.594 177.594 178.552 -0.958 RESID 287 (M): CA 57.654 57.654 58.944 -1.290 RESID 287 (M): CB 31.592 31.592 32.208 -0.616 RESID 287 (M): H 8.118 8.118 7.378 0.741 RESID 288 (F): N 122.234 122.234 121.626 0.608 RESID 288 (F): C 176.498 176.498 177.529 -1.031 RESID 288 (F): CA 61.766 61.766 62.108 -0.342 RESID 288 (F): CB 39.031 39.031 39.406 -0.375 RESID 288 (F): H 7.878 7.878 7.702 0.176 RESID 289 (V): N 118.907 118.907 115.223 3.684 RESID 289 (V): CA 64.566 64.566 66.694 -2.128 RESID 289 (V): CB 30.544 30.544 31.163 -0.619 RESID 289 (V): H 7.913 7.913 7.848 0.065 RESID 290 (T): C 175.376 175.376 176.385 -1.009 RESID 290 (T): H 8.095 8.095 7.501 0.594 RESID 291 (Y): N 118.029 118.029 122.032 -4.003 RESID 291 (Y): C 176.919 176.919 177.775 -0.856 RESID 291 (Y): CA 61.717 61.717 61.962 -0.245 RESID 291 (Y): CB 38.020 38.020 37.649 0.371 RESID 291 (Y): H 7.986 7.986 7.551 0.435 RESID 292 (E): N 118.005 118.005 119.002 -0.997 RESID 292 (E): C 176.686 176.686 179.042 -2.356 RESID 292 (E): CA 60.084 60.084 59.678 0.406 RESID 292 (E): CB 29.443 29.443 28.997 0.446 RESID 292 (E): H 8.359 8.359 8.134 0.225 RESID 293 (Q): N 118.746 118.746 117.877 0.869 RESID 293 (Q): C 176.210 176.210 178.366 -2.156 RESID 293 (Q): CA 58.986 58.986 58.145 0.841 RESID 293 (Q): CB 28.784 28.784 28.368 0.416 RESID 293 (Q): H 7.704 7.704 7.576 0.128 RESID 294 (L): N 120.970 120.970 118.358 2.612 RESID 294 (L): C 178.084 178.084 178.289 -0.205 RESID 294 (L): CA 58.741 58.741 56.569 2.172 RESID 294 (L): CB 41.451 41.451 41.585 -0.134 RESID 294 (L): H 7.995 7.995 7.457 0.538 RESID 295 (K): N 117.756 117.756 117.827 -0.071 RESID 295 (K): CA 59.048 59.048 58.280 0.768 RESID 295 (K): CB 31.871 31.871 33.099 -1.228 RESID 295 (K): H 7.731 7.731 7.926 -0.195 RESID 296 (R): H 7.895 7.895 7.950 -0.055 RESID 297 (A): C 176.488 176.488 176.847 -0.359 RESID 297 (A): H 8.223 8.223 8.362 -0.139 RESID 298 (L): N 117.376 117.376 121.418 -4.042 RESID 298 (L): C 178.628 178.628 176.082 2.546 RESID 298 (L): CA 58.217 58.217 55.193 3.024 RESID 298 (L): CB 41.905 41.905 44.310 -2.405 RESID 298 (L): H 7.947 7.947 7.974 -0.027 RESID 299 (M): N 127.376 127.376 127.380 -0.004 RESID 299 (M): C 178.472 178.472 175.077 3.395 RESID 299 (M): CA 58.461 58.461 55.182 3.279 RESID 299 (M): CB 32.110 32.110 31.381 0.729 RESID 299 (M): H 8.182 8.182 8.811 -0.629 RESID 300 (A): N 121.854 121.854 124.194 -2.340 RESID 300 (A): C 180.197 180.197 175.986 4.211 RESID 300 (A): CA 55.617 55.617 52.368 3.249 RESID 300 (A): CB 18.215 18.215 20.005 -1.790 RESID 300 (A): H 7.841 7.841 7.746 0.095 RESID 301 (A): N 121.224 121.224 128.879 -7.655 RESID 301 (A): C 178.939 178.939 178.550 0.389 RESID 301 (A): CA 55.186 55.186 54.296 0.890 RESID 301 (A): CB 18.735 18.735 19.130 -0.395 RESID 301 (A): H 7.872 7.872 8.731 -0.859 RESID 302 (Y): N 118.183 118.183 119.660 -1.477 RESID 302 (Y): C 176.841 176.841 177.768 -0.927 RESID 302 (Y): CA 60.868 60.868 61.753 -0.885 RESID 302 (Y): CB 39.344 39.344 37.941 1.403 RESID 302 (Y): H 8.100 8.100 8.546 -0.446 RESID 303 (Q): N 117.243 117.243 116.557 0.686 RESID 303 (Q): C 176.997 176.997 178.223 -1.226 RESID 303 (Q): CA 58.787 58.787 59.459 -0.672 RESID 303 (Q): CB 29.216 29.216 28.413 0.803 RESID 303 (Q): H 8.059 8.059 8.674 -0.615 RESID 304 (S): N 114.721 114.721 114.907 -0.186 RESID 304 (S): C 174.511 174.511 176.141 -1.630 RESID 304 (S): CA 59.720 59.720 61.077 -1.357 RESID 304 (S): CB 63.896 63.896 63.068 0.828 RESID 304 (S): H 7.718 7.718 7.772 -0.054 RESID 305 (R): N 121.401 121.401 121.010 0.391 RESID 305 (R): C 175.521 175.521 177.967 -2.446 RESID 305 (R): CA 59.639 59.639 58.710 0.929 RESID 305 (R): CB 30.568 30.568 30.510 0.058 RESID 305 (R): H 7.609 7.609 8.127 -0.518 RESID 306 (E): N 120.090 120.090 117.274 2.816 RESID 306 (E): C 177.648 177.648 178.751 -1.103 RESID 306 (E): CA 59.624 59.624 58.472 1.152 RESID 306 (E): CB 30.362 30.362 28.788 1.574 RESID 306 (E): H 7.909 7.909 7.682 0.227 RESID 307 (A): N 121.234 121.234 124.577 -3.343 RESID 307 (A): C 176.014 176.014 177.247 -1.233 RESID 307 (A): CA 56.844 56.844 55.191 1.653 RESID 307 (A): CB 17.735 17.735 16.823 0.912 RESID 307 (A): H 7.760 7.760 7.800 -0.040 N HA C CA CB H RESID 16 (K): -1.332 ----- -2.116 0.388 0.752 -0.725 RESID 17 (F): -0.934 ----- -1.587 -1.437 0.614 -0.373 RESID 18 (L): 0.438 ----- -0.459 -1.590 1.536 -0.213 RESID 19 (G): 0.144 ----- -0.525 -1.481 ----- -0.013 RESID 20 (A): 0.350 ----- 0.026 0.174 0.915 0.284 RESID 21 (G): 0.989 ----- -0.576 -0.484 ----- 0.466 RESID 22 (T): 0.923 ----- -0.357 0.592 0.261 -0.431 RESID 23 (A): -0.695 ----- -0.368 0.532 0.220 0.772 RESID 24 (A): -0.802 ----- -0.262 0.008 0.117 -0.546 RESID 25 (C): -1.003 ----- -0.550 -3.941 14.787 0.199 RESID 26 (I): 0.012 ----- -0.412 0.301 0.988 0.311 RESID 27 (A): -0.716 ----- 0.187 0.291 0.123 0.074 RESID 28 (D): -1.544 ----- -0.595 0.191 -0.126 0.081 RESID 29 (L): -0.630 ----- -0.812 -0.968 1.203 0.439 RESID 30 (I): -4.175 ----- -0.098 -2.821 0.321 0.382 RESID 31 (T): -1.902 ----- -1.522 -1.397 -0.150 0.618 RESID 32 (F): -0.500 ----- ----- -5.944 2.068 -0.717 RESID 33 (P): ----- ----- 0.054 -2.615 3.716 ----- RESID 34 (L): 6.419 ----- -1.858 -2.575 1.810 1.350 RESID 35 (D): 3.577 ----- -0.927 -2.624 1.668 0.532 RESID 36 (T): 4.119 ----- 0.910 -0.548 0.541 0.494 RESID 37 (A): 0.997 ----- -0.436 0.395 0.581 -0.389 RESID 38 (K): -0.187 ----- -0.109 -0.289 0.339 0.253 RESID 39 (V): 5.061 ----- -0.235 0.614 2.896 0.121 RESID 40 (R): 0.298 ----- -0.396 1.847 -0.007 0.361 RESID 41 (L): -3.000 ----- ----- 0.077 0.726 -0.295 RESID 49 (G): ----- ----- -0.811 ----- ----- ----- RESID 50 (L): 0.894 ----- -0.148 -0.424 0.151 0.156 RESID 51 (V): -0.064 ----- -0.340 -0.557 -0.180 -0.165 RESID 52 (R): 3.794 ----- ----- 0.429 -0.150 -0.089 RESID 53 (T): ----- ----- 0.167 ----- ----- 0.550 RESID 54 (A): -1.852 ----- -1.242 -0.351 0.058 0.113 RESID 55 (A): -10.102 ----- 0.768 -0.538 0.182 -1.289 RESID 56 (S): 12.507 ----- 0.772 2.313 -0.671 0.387 RESID 57 (A): -3.038 ----- ----- 1.049 -0.034 0.006 RESID 59 (Y): ----- ----- 1.330 ----- ----- ----- RESID 60 (R): 4.592 ----- 2.390 2.884 -1.173 0.210 RESID 61 (G): -3.119 ----- 0.722 1.300 ----- -0.176 RESID 62 (V): -3.172 ----- -0.179 1.359 0.643 -0.415 RESID 63 (L): -0.192 ----- -0.710 0.621 1.739 -0.169 RESID 64 (G): -0.309 ----- 0.227 0.400 ----- -0.286 RESID 65 (T): 1.528 ----- -0.087 -0.221 0.540 0.386 RESID 66 (I): 1.675 ----- -0.201 0.819 0.476 0.559 RESID 67 (L): 0.422 ----- 0.103 0.438 0.511 0.676 RESID 68 (T): -0.111 ----- 0.272 0.497 0.536 0.638 RESID 69 (M): 3.404 ----- -0.713 0.979 1.316 0.352 RESID 70 (V): -0.715 ----- -0.506 1.728 -0.511 0.208 RESID 71 (R): -0.398 ----- -0.636 0.451 0.567 0.282 RESID 72 (T): -3.477 ----- -0.131 -1.921 1.312 0.079 RESID 73 (E): 1.440 ----- 1.635 1.437 -0.804 0.263 RESID 74 (G): 1.232 ----- ----- 0.978 ----- 0.458 RESID 75 (P): ----- ----- -1.362 1.232 0.027 ----- RESID 76 (R): 1.107 ----- 0.294 1.493 0.056 -0.155 RESID 77 (S): 0.876 ----- 1.553 0.506 0.007 -0.173 RESID 78 (L): 1.824 ----- 0.534 1.199 -0.290 0.079 RESID 79 (Y): 6.173 ----- 0.479 2.530 -0.221 0.320 RESID 80 (N): -1.299 ----- 2.914 -0.460 -0.665 1.006 RESID 81 (G): -6.026 ----- 0.050 0.826 ----- -0.577 RESID 82 (L): 2.881 ----- 0.695 0.230 1.772 0.780 RESID 83 (V): -1.440 ----- 1.031 -0.117 0.504 -0.135 RESID 84 (A): -0.171 ----- 0.889 0.322 0.103 0.377 RESID 85 (G): -1.106 ----- -0.509 0.473 ----- 0.284 RESID 86 (L): 0.084 ----- -0.451 -0.489 0.585 0.637 RESID 87 (Q): -0.293 ----- -0.710 -1.228 0.781 0.153 RESID 88 (R): -2.350 ----- -0.858 -1.804 0.792 0.242 RESID 89 (Q): 0.463 ----- -1.125 -1.389 0.865 0.236 RESID 90 (M): -2.243 ----- -1.574 -1.569 1.231 -0.570 RESID 91 (S): -0.471 ----- -0.829 -2.526 1.560 -0.003 RESID 92 (F): -0.225 ----- 0.833 -2.337 -0.081 0.731 RESID 93 (A): 4.190 ----- 0.231 0.498 -0.270 0.600 RESID 94 (S): -1.500 ----- -0.086 -0.395 0.050 0.533 RESID 95 (V): -1.007 ----- 0.294 0.121 -0.009 -0.499 RESID 96 (R): 2.798 ----- -0.423 0.990 1.335 0.723 RESID 97 (I): 0.740 ----- 1.027 1.518 0.368 0.315 RESID 98 (G): 1.833 ----- 0.856 0.829 ----- 0.449 RESID 99 (L): 0.645 ----- -0.186 1.107 0.813 0.227 RESID 100 (Y): -0.896 ----- -0.023 -0.952 0.298 0.152 RESID 101 (D): 0.452 ----- 0.419 0.389 -0.117 -0.136 RESID 102 (S): 0.785 ----- -0.268 1.367 1.017 0.171 RESID 103 (V): -0.344 ----- -0.153 0.950 0.470 0.255 RESID 104 (K): 1.041 ----- -0.140 0.838 0.187 0.107 RESID 105 (Q): 1.447 ----- -0.217 1.401 -0.272 0.113 RESID 106 (F): 1.565 ----- 1.074 0.352 0.173 0.301 RESID 107 (Y): 5.189 ----- -0.427 2.591 -1.594 0.673 RESID 108 (T): 1.279 ----- 0.076 2.059 1.209 0.291 RESID 113 (H): ----- ----- -0.890 ----- ----- -0.674 RESID 114 (A): -5.259 ----- 1.545 0.980 0.087 0.526 RESID 115 (G): 2.368 ----- -0.189 1.028 ----- 0.096 RESID 116 (I): -0.643 ----- -0.933 -0.070 1.542 -0.006 RESID 117 (G): 3.562 ----- -1.981 -0.525 ----- 0.124 RESID 118 (S): -1.345 ----- -1.116 -1.381 0.919 -0.099 RESID 119 (R): 1.088 ----- -0.544 -1.977 0.348 -0.405 RESID 120 (L): -0.828 ----- -2.015 -0.858 0.378 0.252 RESID 121 (L): -0.558 ----- -1.898 -2.735 1.089 -0.581 RESID 122 (A): 0.877 ----- -1.878 -1.817 0.692 -1.227 RESID 123 (G): 1.010 ----- 0.237 -1.404 ----- -0.873 RESID 124 (S): -1.996 ----- -1.390 -3.069 1.197 -0.487 RESID 125 (T): 1.060 ----- -0.829 0.962 0.932 -0.394 RESID 126 (T): -0.258 ----- 0.705 -0.932 0.380 -0.468 RESID 127 (G): 5.866 ----- -0.886 -0.659 ----- -0.011 RESID 128 (A): -0.628 ----- -1.660 -1.331 0.809 0.451 RESID 129 (L): 1.295 ----- -1.019 -1.434 0.464 0.333 RESID 130 (A): 2.139 ----- -1.512 -1.942 0.647 -0.229 RESID 131 (V): 2.325 ----- -1.625 -1.542 1.841 -0.230 RESID 132 (A): 1.629 ----- 0.171 -0.969 0.410 0.313 RESID 133 (V): -3.008 ----- -0.943 0.813 -0.490 -0.292 RESID 134 (A): 1.318 ----- ----- 4.288 ----- -0.015 RESID 136 (P): ----- ----- -1.746 ----- ----- ----- RESID 137 (T): 3.004 ----- -1.821 -1.647 1.428 -0.162 RESID 138 (D): 1.747 ----- 0.049 -0.460 0.130 0.294 RESID 139 (V): 2.422 ----- -0.511 0.375 1.868 0.220 RESID 140 (V): -1.144 ----- -1.970 -0.011 0.697 0.432 RESID 141 (K): 0.254 ----- -2.900 -3.933 -0.498 -0.091 RESID 142 (V): 0.375 ----- ----- -2.320 ----- 0.347 RESID 143 (R): ----- ----- -0.068 ----- ----- 0.264 RESID 144 (F): 1.008 ----- 1.507 0.547 ----- -0.139 RESID 145 (Q): 7.576 ----- -2.611 -1.278 1.742 0.323 RESID 146 (A): 0.463 ----- 0.229 0.235 -0.635 0.555 RESID 147 (Q): 0.957 ----- 0.984 0.554 1.325 0.607 RESID 148 (A): -3.313 ----- 0.157 0.318 -0.053 -0.081 RESID 149 (R): -0.615 ----- ----- 0.642 0.883 -0.139 RESID 159 (T): ----- ----- -0.517 ----- ----- ----- RESID 160 (V): -2.232 ----- -0.154 -1.704 0.397 0.145 RESID 161 (E): 2.151 ----- 0.448 0.453 0.698 0.472 RESID 162 (A): -0.873 ----- 0.448 0.173 -0.284 0.052 RESID 163 (Y): -0.626 ----- -0.518 -0.618 -0.722 -0.100 RESID 164 (K): 1.638 ----- -0.867 0.667 -0.194 0.541 RESID 165 (T): 2.628 ----- -0.938 0.617 0.609 -0.050 RESID 166 (I): 3.859 ----- 0.244 0.446 1.810 0.270 RESID 167 (A): -1.542 ----- -1.799 0.033 0.386 0.500 RESID 168 (R): -2.235 ----- -1.138 -0.760 0.760 -0.031 RESID 169 (E): 1.044 ----- -0.750 0.144 0.752 0.391 RESID 170 (E): -0.776 ----- 0.482 0.607 0.474 0.110 RESID 171 (G): 1.196 ----- -0.885 0.582 ----- 0.166 RESID 172 (I): 3.538 ----- -0.598 0.231 0.770 0.152 RESID 173 (R): -1.656 ----- -0.784 -0.443 0.215 -0.327 RESID 174 (G): -0.437 ----- -0.570 0.226 ----- -0.202 RESID 175 (L): 0.019 ----- -0.219 0.514 1.117 0.430 RESID 176 (W): 0.527 ----- -1.002 0.538 0.972 -0.176 RESID 177 (K): 0.587 ----- -0.595 -1.727 0.744 0.111 RESID 178 (G): 5.472 ----- -2.035 0.207 ----- -0.167 RESID 179 (T): -3.811 ----- -1.443 -1.068 1.370 -0.465 RESID 180 (S): 1.684 ----- ----- 0.304 0.515 0.254 RESID 182 (N): ----- ----- -0.331 ----- ----- ----- RESID 183 (V): -2.285 ----- 0.021 -0.595 0.827 0.161 RESID 184 (A): 0.850 ----- -0.782 0.122 10.171 0.508 RESID 185 (R): -1.863 ----- -0.603 -0.227 -0.415 -0.287 RESID 186 (N): -0.433 ----- -0.775 0.331 1.149 0.239 RESID 187 (A): -1.568 ----- -0.971 0.499 -0.522 -0.402 RESID 188 (I): -0.225 ----- -1.536 0.276 0.960 -0.738 RESID 189 (V): -4.153 ----- -0.072 -0.976 0.041 -0.455 RESID 190 (N): 0.527 ----- -0.613 -0.067 -0.119 0.116 RESID 191 (C): 1.559 ----- -0.938 -3.513 15.201 -0.372 RESID 192 (A): -0.143 ----- -1.192 -0.079 -0.066 -0.514 RESID 193 (E): -5.631 ----- -2.372 -0.678 -0.267 -0.739 RESID 194 (L): 0.304 ----- -2.006 -2.648 0.467 -0.593 RESID 195 (V): 0.015 ----- -0.359 -2.027 -0.576 0.023 RESID 196 (T): 7.128 ----- -1.397 -0.429 0.916 0.229 RESID 197 (Y): -0.235 ----- -0.086 -0.523 -0.536 0.398 RESID 198 (D): -1.432 ----- -0.669 0.012 -0.188 0.403 RESID 199 (L): 2.509 ----- 0.915 0.625 0.824 0.277 RESID 200 (I): 2.598 ----- -0.295 0.992 0.468 0.318 RESID 201 (K): 2.373 ----- -0.733 1.524 -0.686 0.671 RESID 202 (D): 1.020 ----- 1.787 1.366 0.079 0.388 RESID 203 (T): 0.994 ----- ----- -1.248 -0.646 0.020 RESID 204 (L): ----- ----- 0.889 ----- ----- -0.845 RESID 205 (L): 1.805 ----- 3.333 1.549 0.223 0.223 RESID 206 (K): 0.389 ----- 0.241 0.552 0.028 -0.469 RESID 207 (A): -0.173 ----- 0.364 0.428 -0.661 -0.516 RESID 208 (N): 2.195 ----- 0.411 1.763 -0.185 0.292 RESID 212 (D): ----- ----- -0.798 ----- ----- ----- RESID 213 (D): -6.536 ----- -0.126 1.531 -0.949 0.298 RESID 214 (L): -3.465 ----- ----- 0.424 0.228 -0.327 RESID 215 (P): ----- ----- -1.127 0.155 -1.022 ----- RESID 216 (C): -0.950 ----- -1.215 -4.498 13.795 -0.064 RESID 217 (H): -0.248 ----- -0.460 -1.563 0.669 -0.421 RESID 218 (F): 2.451 ----- -1.553 -3.095 0.392 0.265 RESID 219 (T): 0.150 ----- -0.778 -2.034 -4.974 -0.012 RESID 220 (S): -0.674 ----- -1.522 -0.192 0.693 0.233 RESID 221 (A): -0.317 ----- -1.935 -0.827 0.729 0.015 RESID 222 (F): -3.793 ----- -1.468 -2.897 0.517 -0.611 RESID 223 (G): 2.276 ----- -1.661 -1.097 ----- -0.228 RESID 224 (A): -1.204 ----- -1.231 -1.160 0.761 0.110 RESID 225 (G): 0.291 ----- -0.259 0.088 ----- -0.356 RESID 226 (F): -0.187 ----- -0.045 -0.345 -1.033 0.027 RESID 227 (C): -0.814 ----- ----- -1.449 14.320 0.221 RESID 228 (T): ----- ----- -0.267 ----- ----- 0.002 RESID 229 (T): -2.390 ----- 0.454 -0.138 -0.876 0.326 RESID 230 (V): -0.113 ----- 0.848 1.380 -0.472 0.668 RESID 231 (I): 1.906 ----- 0.263 2.107 0.195 1.095 RESID 232 (A): 0.918 ----- -1.063 0.424 -0.150 0.970 RESID 233 (S): -0.985 ----- ----- -0.818 0.132 0.198 RESID 234 (P): ----- ----- -0.165 ----- ----- ----- RESID 235 (V): -1.544 ----- -0.890 -1.195 -0.006 0.665 RESID 236 (D): 1.485 ----- -1.415 0.285 -0.359 0.578 RESID 237 (V): -2.939 ----- ----- -1.272 -0.579 -0.373 RESID 238 (V): ----- ----- -0.753 ----- ----- -0.188 RESID 239 (K): 1.081 ----- -0.933 -0.636 0.091 0.327 RESID 240 (T): -0.410 ----- -1.379 1.068 -0.817 0.168 RESID 241 (R): -0.979 ----- ----- -2.387 1.184 -0.188 RESID 242 (Y): ----- ----- -2.366 ----- ----- 1.012 RESID 243 (M): 0.991 ----- -0.888 -2.321 ----- -0.739 RESID 244 (N): -1.177 ----- -0.871 5.364 -0.277 -0.258 RESID 245 (S): -3.532 ----- 2.526 -6.736 -1.611 -0.198 RESID 246 (A): 5.928 ----- 1.155 4.403 0.709 -0.105 RESID 247 (L): -3.148 ----- -0.266 -0.865 -1.716 0.247 RESID 248 (G): -4.391 ----- ----- 0.012 ----- -0.087 RESID 250 (Y): ----- ----- -0.097 ----- ----- -0.511 RESID 251 (H): 4.736 ----- -0.435 0.666 -0.880 -0.259 RESID 252 (S): -0.422 ----- 0.120 -0.003 -0.138 0.094 RESID 253 (A): -0.300 ----- -0.741 0.419 0.464 -0.660 RESID 254 (G): -0.035 ----- -1.274 0.628 ----- -0.246 RESID 255 (H): 0.013 ----- 1.074 1.017 3.402 0.248 RESID 256 (C): 0.583 ----- -1.036 -5.148 14.926 0.230 RESID 257 (A): 0.206 ----- -0.522 -0.698 -0.552 0.481 RESID 258 (L): 1.838 ----- -1.274 -0.881 0.270 -0.160 RESID 259 (T): -2.118 ----- -0.450 -0.018 -1.261 -0.430 RESID 260 (M): -2.015 ----- -0.631 0.003 0.423 -0.324 RESID 261 (L): -2.242 ----- -0.934 0.734 0.217 0.592 RESID 262 (R): -0.616 ----- ----- 0.491 -0.068 0.190 RESID 266 (P): ----- ----- -1.069 1.119 ----- ----- RESID 267 (R): -2.115 ----- -0.395 1.223 1.215 -0.423 RESID 268 (A): -0.199 ----- -1.019 -0.076 0.496 0.122 RESID 269 (F): -0.373 ----- -1.310 -0.383 -0.276 0.015 RESID 270 (Y): -1.285 ----- 0.414 0.213 -0.408 0.104 RESID 271 (K): 1.447 ----- 1.966 1.533 -0.755 -0.091 RESID 272 (G): -1.225 ----- 0.908 0.876 ----- -0.741 RESID 273 (F): 2.174 ----- 0.611 1.052 1.323 0.243 RESID 277 (F): ----- ----- -0.336 0.257 0.337 -0.383 RESID 278 (L): -1.598 ----- -1.230 -2.131 0.479 0.180 RESID 279 (R): -0.506 ----- -1.968 -1.963 0.899 -0.550 RESID 280 (L): 1.334 ----- -0.838 -0.978 1.020 -0.352 RESID 281 (G): 0.023 ----- -1.928 -0.183 ----- 0.190 RESID 282 (S): -2.501 ----- -2.776 -2.199 -4.261 0.261 RESID 283 (W): 0.397 ----- -2.169 -2.001 1.236 -0.362 RESID 284 (N): 2.069 ----- ----- -0.839 1.586 0.151 RESID 285 (V): ----- ----- -0.212 ----- ----- 0.418 RESID 286 (V): -0.046 ----- -1.340 -1.301 -1.276 0.176 RESID 287 (M): 2.857 ----- -0.958 -1.290 -0.616 0.741 RESID 288 (F): 0.608 ----- -1.031 -0.342 -0.375 0.176 RESID 289 (V): 3.684 ----- ----- -2.128 -0.619 0.065 RESID 290 (T): ----- ----- -1.009 ----- ----- 0.594 RESID 291 (Y): -4.003 ----- -0.856 -0.245 0.371 0.435 RESID 292 (E): -0.997 ----- -2.356 0.406 0.446 0.225 RESID 293 (Q): 0.869 ----- -2.156 0.841 0.416 0.128 RESID 294 (L): 2.612 ----- -0.205 2.172 -0.134 0.538 RESID 295 (K): -0.071 ----- ----- 0.768 -1.228 -0.195 RESID 296 (R): ----- ----- ----- ----- ----- -0.055 RESID 297 (A): ----- ----- -0.359 ----- ----- -0.139 RESID 298 (L): -4.042 ----- 2.546 3.024 -2.405 -0.027 RESID 299 (M): -0.004 ----- 3.395 3.279 0.729 -0.629 RESID 300 (A): -2.340 ----- 4.211 3.249 -1.790 0.095 RESID 301 (A): -7.655 ----- 0.389 0.890 -0.395 -0.859 RESID 302 (Y): -1.477 ----- -0.927 -0.885 1.403 -0.446 RESID 303 (Q): 0.686 ----- -1.226 -0.672 0.803 -0.615 RESID 304 (S): -0.186 ----- -1.630 -1.357 0.828 -0.054 RESID 305 (R): 0.391 ----- -2.446 0.929 0.058 -0.518 RESID 306 (E): 2.816 ----- -1.103 1.152 1.574 0.227 RESID 307 (A): -3.343 ----- -1.233 1.653 0.912 -0.040 DATA CS_STAT_INFO N RMS: 2.564 ppm Count: 236 Average Difference: -0.144 +/- 2.566 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.167 ppm Count: 239 Average Difference: 0.424 +/- 1.090 ppm DATA CS_STAT_INFO CA RMS: 1.595 ppm Count: 241 Average Difference: 0.152 +/- 1.591 ppm DATA CS_STAT_INFO CB RMS: 2.543 ppm Count: 215 Average Difference: -0.668 +/- 2.459 ppm DATA CS_STAT_INFO HN RMS: 0.422 ppm Count: 249 Average Difference: -0.055 +/- 0.419 ppm ############################################################################ For conformer 10: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 125.258 -2.163 RESID 15 (V): C 176.453 176.453 176.633 -0.180 RESID 15 (V): CA 63.979 63.979 60.476 3.503 RESID 15 (V): CB 32.507 32.507 33.912 -1.405 RESID 15 (V): H 8.053 8.053 8.502 -0.449 RESID 16 (K): N 123.075 123.075 121.794 1.281 RESID 16 (K): C 176.841 176.841 179.005 -2.164 RESID 16 (K): CA 59.762 59.762 59.502 0.260 RESID 16 (K): CB 32.751 32.751 32.303 0.448 RESID 16 (K): H 8.059 8.059 8.706 -0.647 RESID 17 (F): N 118.838 118.838 120.550 -1.712 RESID 17 (F): C 175.443 175.443 177.442 -1.999 RESID 17 (F): CA 59.915 59.915 60.539 -0.624 RESID 17 (F): CB 39.659 39.659 38.811 0.848 RESID 17 (F): H 7.909 7.909 8.097 -0.188 RESID 18 (L): N 119.089 119.089 119.856 -0.767 RESID 18 (L): C 177.195 177.195 178.517 -1.322 RESID 18 (L): CA 55.385 55.385 56.652 -1.267 RESID 18 (L): CB 42.905 42.905 41.566 1.339 RESID 18 (L): H 7.814 7.814 8.085 -0.271 RESID 19 (G): N 108.484 108.484 107.793 0.691 RESID 19 (G): C 174.967 174.967 175.570 -0.603 RESID 19 (G): CA 45.518 45.518 47.162 -1.644 RESID 19 (G): H 8.032 8.032 8.371 -0.339 RESID 20 (A): N 124.208 124.208 123.866 0.342 RESID 20 (A): C 179.405 179.405 179.434 -0.029 RESID 20 (A): CA 54.531 54.531 54.442 0.089 RESID 20 (A): CB 18.995 18.995 18.156 0.839 RESID 20 (A): H 8.318 8.318 8.025 0.293 RESID 21 (G): N 108.209 108.209 107.166 1.043 RESID 21 (G): C 175.676 175.676 176.274 -0.598 RESID 21 (G): CA 46.742 46.742 47.390 -0.648 RESID 21 (G): H 8.523 8.523 8.151 0.372 RESID 22 (T): N 119.542 119.542 115.569 3.973 RESID 22 (T): C 175.661 175.661 176.086 -0.425 RESID 22 (T): CA 66.401 66.401 65.452 0.949 RESID 22 (T): CB 68.866 68.866 68.444 0.423 RESID 22 (T): H 7.881 7.881 8.290 -0.409 RESID 23 (A): N 123.431 123.431 124.893 -1.462 RESID 23 (A): C 178.628 178.628 178.870 -0.242 RESID 23 (A): CA 55.480 55.480 55.089 0.391 RESID 23 (A): CB 18.218 18.218 18.155 0.063 RESID 23 (A): H 8.263 8.263 7.552 0.711 RESID 24 (A): N 119.939 119.939 121.027 -1.088 RESID 24 (A): C 179.172 179.172 179.130 0.042 RESID 24 (A): CA 55.038 55.038 55.184 -0.146 RESID 24 (A): CB 18.385 18.385 18.343 0.042 RESID 24 (A): H 7.827 7.827 8.437 -0.610 RESID 25 (C): N 116.736 116.736 116.628 0.108 RESID 25 (C): C 176.220 176.220 176.644 -0.424 RESID 25 (C): CA 58.596 58.596 62.204 -3.608 RESID 25 (C): CB 41.771 41.771 28.089 13.682 RESID 25 (C): H 7.677 7.677 7.443 0.234 RESID 26 (I): N 119.154 119.154 119.404 -0.250 RESID 26 (I): C 176.915 176.915 177.643 -0.728 RESID 26 (I): CA 64.858 64.858 64.296 0.562 RESID 26 (I): CB 38.090 38.090 37.299 0.791 RESID 26 (I): H 7.899 7.899 7.613 0.286 RESID 27 (A): N 121.116 121.116 122.958 -1.842 RESID 27 (A): C 179.016 179.016 178.887 0.129 RESID 27 (A): CA 55.367 55.367 55.204 0.163 RESID 27 (A): CB 18.385 18.385 18.670 -0.285 RESID 27 (A): H 7.909 7.909 8.185 -0.276 RESID 28 (D): N 116.829 116.829 117.937 -1.108 RESID 28 (D): C 177.643 177.643 178.366 -0.723 RESID 28 (D): CA 56.453 56.453 57.598 -1.145 RESID 28 (D): CB 41.128 41.128 40.637 0.491 RESID 28 (D): H 7.554 7.554 7.536 0.018 RESID 29 (L): N 119.672 119.672 120.548 -0.876 RESID 29 (L): C 178.628 178.628 178.958 -0.330 RESID 29 (L): CA 57.144 57.144 57.893 -0.749 RESID 29 (L): CB 43.146 43.146 41.770 1.376 RESID 29 (L): H 7.732 7.732 7.402 0.330 RESID 30 (I): N 113.629 113.629 112.292 1.337 RESID 30 (I): C 176.456 176.456 176.329 0.127 RESID 30 (I): CA 60.539 60.539 62.925 -2.386 RESID 30 (I): CB 38.506 38.506 37.207 1.299 RESID 30 (I): H 7.977 7.977 7.562 0.415 RESID 31 (T): N 113.314 113.314 113.408 -0.094 RESID 31 (T): C 174.045 174.045 174.797 -0.752 RESID 31 (T): CA 62.495 62.495 63.596 -1.101 RESID 31 (T): CB 69.898 69.898 69.777 0.121 RESID 31 (T): H 7.738 7.738 7.197 0.541 RESID 32 (F): N 123.409 123.409 123.452 -0.043 RESID 32 (F): CA 56.349 56.349 61.526 -5.178 RESID 32 (F): CB 39.148 39.148 37.164 1.984 RESID 32 (F): H 7.609 7.609 7.621 -0.012 RESID 33 (P): C 177.831 177.831 177.565 0.266 RESID 33 (P): CA 62.656 62.656 64.749 -2.093 RESID 33 (P): CB 34.762 34.762 31.157 3.605 RESID 34 (L): N 124.503 124.503 114.667 9.836 RESID 34 (L): C 176.298 176.298 178.245 -1.947 RESID 34 (L): CA 55.545 55.545 56.904 -1.359 RESID 34 (L): CB 43.287 43.287 40.257 3.030 RESID 34 (L): H 8.659 8.659 7.519 1.140 RESID 35 (D): N 121.663 121.663 119.865 1.798 RESID 35 (D): C 177.152 177.152 177.980 -0.828 RESID 35 (D): CA 54.326 54.326 57.235 -2.909 RESID 35 (D): CB 41.154 41.154 40.532 0.622 RESID 35 (D): H 8.236 8.236 7.621 0.615 RESID 36 (T): N 115.977 115.977 112.034 3.943 RESID 36 (T): C 177.088 177.088 176.006 1.082 RESID 36 (T): CA 64.868 64.868 65.652 -0.784 RESID 36 (T): CB 69.053 69.053 68.465 0.589 RESID 36 (T): H 8.127 8.127 8.038 0.089 RESID 37 (A): N 125.063 125.063 124.477 0.586 RESID 37 (A): C 179.143 179.143 179.138 0.005 RESID 37 (A): CA 55.234 55.234 54.758 0.476 RESID 37 (A): CB 18.735 18.735 18.186 0.549 RESID 37 (A): H 8.042 8.042 7.751 0.291 RESID 38 (K): N 117.827 117.827 118.986 -1.159 RESID 38 (K): C 178.239 178.239 178.287 -0.048 RESID 38 (K): CA 58.861 58.861 59.225 -0.364 RESID 38 (K): CB 32.724 32.724 32.304 0.420 RESID 38 (K): H 7.759 7.759 7.415 0.344 RESID 39 (V): N 118.955 118.955 118.115 0.840 RESID 39 (V): C 177.892 177.892 177.724 0.168 RESID 39 (V): CA 65.478 65.478 65.761 -0.283 RESID 39 (V): CB 34.675 34.675 31.508 3.167 RESID 39 (V): H 7.554 7.554 7.519 0.035 RESID 40 (R): N 119.922 119.922 117.682 2.240 RESID 40 (R): C 178.391 178.391 178.907 -0.516 RESID 40 (R): CA 59.648 59.648 57.948 1.700 RESID 40 (R): CB 29.933 29.933 30.138 -0.205 RESID 40 (R): H 7.794 7.794 7.431 0.363 RESID 41 (L): N 118.720 118.720 120.522 -1.802 RESID 41 (L): CA 54.749 54.749 55.819 -1.069 RESID 41 (L): CB 40.429 40.429 39.025 1.404 RESID 41 (L): H 7.534 7.534 8.139 -0.605 RESID 49 (G): C 174.779 174.779 175.112 -0.333 RESID 50 (L): N 123.029 123.029 120.538 2.491 RESID 50 (L): C 178.482 178.482 177.751 0.731 RESID 50 (L): CA 56.765 56.765 57.166 -0.401 RESID 50 (L): CB 41.673 41.673 41.931 -0.258 RESID 50 (L): H 8.113 8.113 7.830 0.283 RESID 51 (V): N 118.714 118.714 117.541 1.173 RESID 51 (V): C 178.032 178.032 177.501 0.531 RESID 51 (V): CA 66.037 66.037 65.282 0.755 RESID 51 (V): CB 30.763 30.763 31.593 -0.830 RESID 51 (V): H 7.974 7.974 8.173 -0.199 RESID 52 (R): N 121.569 121.569 116.892 4.677 RESID 52 (R): CA 59.167 59.167 58.613 0.554 RESID 52 (R): CB 29.437 29.437 29.373 0.064 RESID 52 (R): H 8.231 8.231 7.743 0.488 RESID 53 (T): C 175.108 175.108 174.138 0.970 RESID 53 (T): H 7.948 7.948 7.324 0.624 RESID 54 (A): N 121.823 121.823 122.728 -0.905 RESID 54 (A): C 174.922 174.922 175.516 -0.594 RESID 54 (A): CA 50.101 50.101 51.036 -0.935 RESID 54 (A): CB 18.950 18.950 20.344 -1.394 RESID 54 (A): H 7.792 7.792 7.542 0.250 RESID 55 (A): N 113.986 113.986 126.225 -12.239 RESID 55 (A): C 178.007 178.007 177.065 0.942 RESID 55 (A): CA 53.458 53.458 53.072 0.386 RESID 55 (A): CB 18.809 18.809 19.230 -0.421 RESID 55 (A): H 7.333 7.333 8.557 -1.224 RESID 56 (S): N 125.425 125.425 111.525 13.900 RESID 56 (S): C 174.899 174.899 174.130 0.769 RESID 56 (S): CA 59.520 59.520 57.181 2.339 RESID 56 (S): CB 64.051 64.051 64.120 -0.069 RESID 56 (S): H 7.786 7.786 7.542 0.244 RESID 57 (A): N 118.183 118.183 121.448 -3.265 RESID 57 (A): CA 53.783 53.783 53.534 0.249 RESID 57 (A): CB 17.599 17.599 17.459 0.140 RESID 57 (A): H 8.018 8.018 8.673 -0.655 RESID 59 (Y): C 177.662 177.662 175.676 1.986 RESID 60 (R): N 122.798 122.798 123.459 -0.661 RESID 60 (R): C 177.956 177.956 175.051 2.905 RESID 60 (R): CA 58.711 58.711 56.749 1.962 RESID 60 (R): CB 30.659 30.659 29.814 0.845 RESID 60 (R): H 8.311 8.311 8.302 0.009 RESID 61 (G): N 109.033 109.033 106.210 2.823 RESID 61 (G): C 176.064 176.064 174.469 1.595 RESID 61 (G): CA 46.592 46.592 44.354 2.238 RESID 61 (G): H 8.182 8.182 8.137 0.045 RESID 62 (V): N 123.218 123.218 123.930 -0.712 RESID 62 (V): C 177.540 177.540 176.770 0.770 RESID 62 (V): CA 66.277 66.277 64.641 1.636 RESID 62 (V): CB 32.355 32.355 32.030 0.325 RESID 62 (V): H 8.105 8.105 8.361 -0.256 RESID 63 (L): N 120.295 120.295 120.774 -0.479 RESID 63 (L): C 178.628 178.628 179.163 -0.535 RESID 63 (L): CA 58.366 58.366 57.483 0.883 RESID 63 (L): CB 41.675 41.675 39.992 1.683 RESID 63 (L): H 8.182 8.182 8.276 -0.094 RESID 64 (G): N 106.013 106.013 105.468 0.545 RESID 64 (G): C 176.531 176.531 176.215 0.316 RESID 64 (G): CA 47.765 47.765 47.300 0.465 RESID 64 (G): H 8.102 8.102 8.339 -0.237 RESID 65 (T): N 120.842 120.842 118.800 2.042 RESID 65 (T): C 176.453 176.453 176.196 0.257 RESID 65 (T): CA 67.140 67.140 67.450 -0.310 RESID 65 (T): CB 69.161 69.161 68.612 0.548 RESID 65 (T): H 7.854 7.854 7.543 0.311 RESID 66 (I): N 122.676 122.676 122.431 0.245 RESID 66 (I): C 177.307 177.307 176.878 0.429 RESID 66 (I): CA 65.832 65.832 64.138 1.694 RESID 66 (I): CB 38.090 38.090 37.989 0.101 RESID 66 (I): H 8.018 8.018 7.355 0.663 RESID 67 (L): N 119.838 119.838 119.566 0.272 RESID 67 (L): C 178.706 178.706 178.030 0.676 RESID 67 (L): CA 58.491 58.491 57.985 0.506 RESID 67 (L): CB 41.387 41.387 41.427 -0.040 RESID 67 (L): H 8.291 8.291 7.532 0.759 RESID 68 (T): N 115.362 115.362 115.046 0.316 RESID 68 (T): C 176.764 176.764 176.604 0.160 RESID 68 (T): CA 67.040 67.040 66.751 0.289 RESID 68 (T): CB 69.403 69.403 68.762 0.641 RESID 68 (T): H 7.963 7.963 7.192 0.770 RESID 69 (M): N 122.960 122.960 119.615 3.345 RESID 69 (M): C 177.153 177.153 177.709 -0.556 RESID 69 (M): CA 59.710 59.710 59.384 0.326 RESID 69 (M): CB 33.111 33.111 32.190 0.922 RESID 69 (M): H 7.977 7.977 7.710 0.267 RESID 70 (V): N 119.558 119.558 115.547 4.011 RESID 70 (V): C 176.841 176.841 177.846 -1.005 RESID 70 (V): CA 66.277 66.277 64.176 2.101 RESID 70 (V): CB 31.362 31.362 31.350 0.012 RESID 70 (V): H 7.751 7.751 7.403 0.348 RESID 71 (R): N 118.002 118.002 118.515 -0.513 RESID 71 (R): C 177.152 177.152 177.855 -0.703 RESID 71 (R): CA 58.761 58.761 58.426 0.335 RESID 71 (R): CB 30.656 30.656 30.118 0.538 RESID 71 (R): H 7.827 7.827 7.522 0.305 RESID 72 (T): N 111.410 111.410 114.319 -2.909 RESID 72 (T): C 175.288 175.288 175.625 -0.337 RESID 72 (T): CA 64.194 64.194 65.557 -1.363 RESID 72 (T): CB 70.312 70.312 69.105 1.207 RESID 72 (T): H 7.745 7.745 7.642 0.103 RESID 73 (E): N 120.577 120.577 118.145 2.432 RESID 73 (E): C 177.696 177.696 175.610 2.086 RESID 73 (E): CA 57.363 57.363 56.748 0.614 RESID 73 (E): CB 30.927 30.927 32.350 -1.423 RESID 73 (E): H 8.263 8.263 8.234 0.029 RESID 74 (G): N 108.209 108.209 105.578 2.631 RESID 74 (G): CA 45.593 45.593 44.552 1.041 RESID 74 (G): H 7.841 7.841 7.437 0.404 RESID 75 (P): C 177.152 177.152 178.475 -1.323 RESID 75 (P): CA 65.652 65.652 64.422 1.230 RESID 75 (P): CB 32.294 32.294 32.333 -0.039 RESID 76 (R): N 118.553 118.553 118.181 0.372 RESID 76 (R): C 177.696 177.696 178.061 -0.365 RESID 76 (R): CA 59.785 59.785 58.483 1.302 RESID 76 (R): CB 29.671 29.671 29.484 0.187 RESID 76 (R): H 8.427 8.427 8.736 -0.309 RESID 77 (S): N 115.323 115.323 115.037 0.286 RESID 77 (S): C 177.230 177.230 175.378 1.852 RESID 77 (S): CA 61.318 61.318 61.025 0.293 RESID 77 (S): CB 63.281 63.281 63.189 0.092 RESID 77 (S): H 7.963 7.963 8.231 -0.268 RESID 78 (L): N 122.598 122.598 120.808 1.790 RESID 78 (L): C 177.696 177.696 177.596 0.100 RESID 78 (L): CA 57.792 57.792 56.859 0.933 RESID 78 (L): CB 42.202 42.202 42.162 0.040 RESID 78 (L): H 7.595 7.595 7.417 0.178 RESID 79 (Y): N 119.276 119.276 112.379 6.897 RESID 79 (Y): C 176.142 176.142 176.049 0.093 RESID 79 (Y): CA 60.792 60.792 58.244 2.548 RESID 79 (Y): CB 38.687 38.687 38.195 0.492 RESID 79 (Y): H 7.868 7.868 7.363 0.505 RESID 80 (N): N 117.249 117.249 118.113 -0.864 RESID 80 (N): C 178.472 178.472 175.649 2.823 RESID 80 (N): CA 53.024 53.024 52.816 0.208 RESID 80 (N): CB 37.946 37.946 37.026 0.920 RESID 80 (N): H 8.374 8.374 7.725 0.649 RESID 81 (G): N 108.575 108.575 106.211 2.364 RESID 81 (G): C 175.521 175.521 174.775 0.746 RESID 81 (G): CA 46.266 46.266 45.375 0.891 RESID 81 (G): H 8.086 8.086 7.817 0.269 RESID 82 (L): N 124.326 124.326 122.791 1.535 RESID 82 (L): C 178.239 178.239 177.470 0.769 RESID 82 (L): CA 58.217 58.217 57.456 0.761 RESID 82 (L): CB 42.351 42.351 42.072 0.279 RESID 82 (L): H 7.991 7.991 7.688 0.303 RESID 83 (V): N 117.727 117.727 118.075 -0.348 RESID 83 (V): C 177.851 177.851 176.798 1.053 RESID 83 (V): CA 64.113 64.113 64.840 -0.727 RESID 83 (V): CB 31.924 31.924 31.415 0.510 RESID 83 (V): H 8.004 8.004 8.118 -0.114 RESID 84 (A): N 121.414 121.414 121.532 -0.118 RESID 84 (A): C 180.570 180.570 179.369 1.201 RESID 84 (A): CA 55.031 55.031 54.354 0.677 RESID 84 (A): CB 18.286 18.286 18.411 -0.125 RESID 84 (A): H 7.677 7.677 7.232 0.445 RESID 85 (G): N 106.471 106.471 107.212 -0.741 RESID 85 (G): C 175.521 175.521 176.061 -0.540 RESID 85 (G): CA 47.191 47.191 46.630 0.561 RESID 85 (G): H 7.963 7.963 7.710 0.253 RESID 86 (L): N 122.326 122.326 121.918 0.408 RESID 86 (L): C 178.239 178.239 178.765 -0.526 RESID 86 (L): CA 57.493 57.493 57.334 0.159 RESID 86 (L): CB 42.202 42.202 41.508 0.694 RESID 86 (L): H 8.100 8.100 7.402 0.698 RESID 87 (Q): N 117.736 117.736 117.778 -0.042 RESID 87 (Q): C 177.340 177.340 177.950 -0.610 RESID 87 (Q): CA 57.787 57.787 58.868 -1.081 RESID 87 (Q): CB 28.942 28.942 28.087 0.855 RESID 87 (Q): H 8.004 8.004 7.917 0.087 RESID 88 (R): N 118.107 118.107 120.456 -2.349 RESID 88 (R): C 177.930 177.930 178.776 -0.846 RESID 88 (R): CA 58.062 58.062 59.739 -1.677 RESID 88 (R): CB 30.774 30.774 29.891 0.883 RESID 88 (R): H 7.568 7.568 7.380 0.188 RESID 89 (Q): N 117.921 117.921 117.699 0.222 RESID 89 (Q): C 177.375 177.375 178.364 -0.989 RESID 89 (Q): CA 56.838 56.838 58.430 -1.592 RESID 89 (Q): CB 29.006 29.006 28.521 0.485 RESID 89 (Q): H 7.827 7.827 7.554 0.273 RESID 90 (M): N 118.378 118.378 118.730 -0.352 RESID 90 (M): C 176.365 176.365 178.168 -1.803 RESID 90 (M): CA 56.339 56.339 58.307 -1.968 RESID 90 (M): CB 33.444 33.444 32.239 1.205 RESID 90 (M): H 7.963 7.963 8.306 -0.343 RESID 91 (S): N 115.089 115.089 116.424 -1.335 RESID 91 (S): C 175.899 175.899 176.391 -0.492 RESID 91 (S): CA 58.621 58.621 60.917 -2.296 RESID 91 (S): CB 64.337 64.337 62.460 1.877 RESID 91 (S): H 7.868 7.868 7.881 -0.013 RESID 92 (F): N 122.852 122.852 123.607 -0.755 RESID 92 (F): C 177.375 177.375 176.397 0.978 RESID 92 (F): CA 59.095 59.095 61.355 -2.260 RESID 92 (F): CB 38.937 38.937 39.047 -0.110 RESID 92 (F): H 8.332 8.332 7.532 0.800 RESID 93 (A): N 123.258 123.258 120.431 2.827 RESID 93 (A): C 178.628 178.628 179.066 -0.438 RESID 93 (A): CA 54.881 54.881 54.229 0.652 RESID 93 (A): CB 17.902 17.902 18.241 -0.339 RESID 93 (A): H 8.223 8.223 7.753 0.470 RESID 94 (S): N 112.886 112.886 114.822 -1.936 RESID 94 (S): C 176.831 176.831 177.067 -0.236 RESID 94 (S): CA 60.319 60.319 61.158 -0.839 RESID 94 (S): CB 63.611 63.611 63.625 -0.014 RESID 94 (S): H 7.977 7.977 7.599 0.378 RESID 95 (V): N 121.854 121.854 122.938 -1.084 RESID 95 (V): C 176.220 176.220 175.736 0.484 RESID 95 (V): CA 64.629 64.629 64.832 -0.203 RESID 95 (V): CB 31.328 31.328 31.948 -0.620 RESID 95 (V): H 7.581 7.581 8.062 -0.481 RESID 96 (R): N 121.329 121.329 118.977 2.352 RESID 96 (R): C 176.814 176.814 177.024 -0.210 RESID 96 (R): CA 58.636 58.636 57.477 1.159 RESID 96 (R): CB 30.672 30.672 28.843 1.829 RESID 96 (R): H 7.936 7.936 7.029 0.907 RESID 97 (I): N 119.194 119.194 118.699 0.495 RESID 97 (I): C 177.152 177.152 175.948 1.204 RESID 97 (I): CA 63.296 63.296 61.939 1.357 RESID 97 (I): CB 38.757 38.757 38.800 -0.043 RESID 97 (I): H 7.802 7.802 7.459 0.343 RESID 98 (G): N 109.857 109.857 107.513 2.344 RESID 98 (G): C 176.064 176.064 174.911 1.153 RESID 98 (G): CA 46.941 46.941 46.176 0.765 RESID 98 (G): H 8.127 8.127 7.705 0.422 RESID 99 (L): N 123.258 123.258 122.548 0.710 RESID 99 (L): C 177.856 177.856 178.445 -0.589 RESID 99 (L): CA 58.264 58.264 56.933 1.331 RESID 99 (L): CB 42.488 42.488 41.674 0.814 RESID 99 (L): H 8.223 8.223 8.136 0.087 RESID 100 (Y): N 119.770 119.770 119.637 0.133 RESID 100 (Y): C 176.997 176.997 177.750 -0.753 RESID 100 (Y): CA 61.592 61.592 61.839 -0.247 RESID 100 (Y): CB 38.809 38.809 37.915 0.894 RESID 100 (Y): H 8.207 8.207 7.904 0.303 RESID 101 (D): N 118.460 118.460 118.047 0.413 RESID 101 (D): C 178.939 178.939 178.727 0.212 RESID 101 (D): CA 57.797 57.797 57.291 0.506 RESID 101 (D): CB 40.498 40.498 40.584 -0.085 RESID 101 (D): H 8.401 8.401 8.476 -0.075 RESID 102 (S): N 116.022 116.022 115.324 0.698 RESID 102 (S): C 176.005 176.005 176.308 -0.303 RESID 102 (S): CA 62.791 62.791 61.521 1.270 RESID 102 (S): CB 64.211 64.211 63.156 1.055 RESID 102 (S): H 7.854 7.854 7.805 0.049 RESID 103 (V): N 120.844 120.844 121.063 -0.219 RESID 103 (V): C 177.307 177.307 177.035 0.272 RESID 103 (V): CA 66.510 66.510 64.558 1.952 RESID 103 (V): CB 31.965 31.965 32.006 -0.041 RESID 103 (V): H 7.926 7.926 7.668 0.258 RESID 104 (K): N 120.468 120.468 119.668 0.800 RESID 104 (K): C 178.861 178.861 179.105 -0.244 RESID 104 (K): CA 60.184 60.184 59.997 0.187 RESID 104 (K): CB 31.979 31.979 32.266 -0.287 RESID 104 (K): H 8.127 8.127 8.065 0.062 RESID 105 (Q): N 118.386 118.386 117.547 0.839 RESID 105 (Q): C 177.540 177.540 178.055 -0.515 RESID 105 (Q): CA 58.786 58.786 58.040 0.746 RESID 105 (Q): CB 28.377 28.377 28.711 -0.334 RESID 105 (Q): H 7.841 7.841 7.969 -0.128 RESID 106 (F): N 119.471 119.471 118.322 1.149 RESID 106 (F): C 176.531 176.531 175.270 1.261 RESID 106 (F): CA 60.593 60.593 59.891 0.702 RESID 106 (F): CB 39.459 39.459 39.335 0.124 RESID 106 (F): H 7.772 7.772 7.590 0.182 RESID 107 (Y): N 118.288 118.288 114.678 3.610 RESID 107 (Y): C 176.220 176.220 176.447 -0.227 RESID 107 (Y): CA 60.543 60.543 59.188 1.355 RESID 107 (Y): CB 38.819 38.819 40.451 -1.632 RESID 107 (Y): H 8.045 8.045 7.386 0.659 RESID 108 (T): N 113.383 113.383 112.654 0.729 RESID 108 (T): C 175.288 175.288 173.864 1.424 RESID 108 (T): CA 64.094 64.094 62.518 1.576 RESID 108 (T): CB 69.986 69.986 69.562 0.423 RESID 108 (T): H 7.868 7.868 7.606 0.262 RESID 113 (H): C 173.413 173.413 174.029 -0.616 RESID 113 (H): H 7.968 7.968 9.025 -1.057 RESID 114 (A): N 119.456 119.456 120.083 -0.627 RESID 114 (A): C 177.851 177.851 175.892 1.959 RESID 114 (A): CA 53.283 53.283 51.911 1.372 RESID 114 (A): CB 19.362 19.362 19.146 0.215 RESID 114 (A): H 8.433 8.433 7.827 0.606 RESID 115 (G): N 108.484 108.484 105.281 3.203 RESID 115 (G): C 174.822 174.822 175.138 -0.316 RESID 115 (G): CA 45.968 45.968 45.392 0.576 RESID 115 (G): H 8.250 8.250 8.156 0.094 RESID 116 (I): N 121.139 121.139 121.152 -0.013 RESID 116 (I): C 176.841 176.841 177.516 -0.675 RESID 116 (I): CA 63.160 63.160 64.319 -1.159 RESID 116 (I): CB 38.853 38.853 37.827 1.026 RESID 116 (I): H 8.127 8.127 8.063 0.064 RESID 117 (G): N 110.863 110.863 107.390 3.473 RESID 117 (G): C 174.588 174.588 175.842 -1.254 RESID 117 (G): CA 46.791 46.791 47.162 -0.371 RESID 117 (G): H 8.509 8.509 8.406 0.103 RESID 118 (S): N 116.069 116.069 117.718 -1.649 RESID 118 (S): C 175.754 175.754 176.896 -1.142 RESID 118 (S): CA 60.319 60.319 61.270 -0.951 RESID 118 (S): CB 63.864 63.864 62.699 1.165 RESID 118 (S): H 7.991 7.991 8.110 -0.119 RESID 119 (R): N 122.134 122.134 121.971 0.163 RESID 119 (R): C 178.228 178.228 178.886 -0.658 RESID 119 (R): CA 57.787 57.787 59.330 -1.543 RESID 119 (R): CB 30.549 30.549 30.064 0.485 RESID 119 (R): H 7.963 7.963 8.202 -0.239 RESID 120 (L): N 120.403 120.403 121.631 -1.228 RESID 120 (L): C 177.230 177.230 179.340 -2.110 RESID 120 (L): CA 57.967 57.967 58.162 -0.195 RESID 120 (L): CB 42.146 42.146 41.933 0.213 RESID 120 (L): H 7.914 7.914 7.631 0.283 RESID 121 (L): N 118.960 118.960 120.714 -1.754 RESID 121 (L): C 177.152 177.152 179.080 -1.928 RESID 121 (L): CA 55.495 55.495 57.585 -2.090 RESID 121 (L): CB 42.238 42.238 42.004 0.234 RESID 121 (L): H 7.718 7.718 8.312 -0.594 RESID 122 (A): N 123.063 123.063 120.934 2.129 RESID 122 (A): C 178.317 178.317 179.787 -1.470 RESID 122 (A): CA 53.358 53.358 55.554 -2.196 RESID 122 (A): CB 19.218 19.218 17.995 1.223 RESID 122 (A): H 7.745 7.745 8.820 -1.075 RESID 123 (G): N 107.843 107.843 106.366 1.477 RESID 123 (G): C 176.912 176.912 176.334 0.578 RESID 123 (G): CA 45.943 45.943 47.136 -1.193 RESID 123 (G): H 8.113 8.113 8.826 -0.713 RESID 124 (S): N 116.105 116.105 117.340 -1.235 RESID 124 (S): C 175.574 175.574 176.951 -1.377 RESID 124 (S): CA 59.145 59.145 61.862 -2.717 RESID 124 (S): CB 64.211 64.211 62.717 1.494 RESID 124 (S): H 8.109 8.109 8.522 -0.413 RESID 125 (T): N 116.069 116.069 118.792 -2.723 RESID 125 (T): C 176.055 176.055 176.819 -0.764 RESID 125 (T): CA 66.921 66.921 66.408 0.513 RESID 125 (T): CB 69.682 69.682 68.790 0.892 RESID 125 (T): H 8.086 8.086 8.308 -0.222 RESID 126 (T): N 115.439 115.439 115.819 -0.380 RESID 126 (T): C 177.443 177.443 176.747 0.696 RESID 126 (T): CA 65.285 65.285 66.195 -0.910 RESID 126 (T): CB 68.364 68.364 68.029 0.335 RESID 126 (T): H 7.977 7.977 8.288 -0.311 RESID 127 (G): N 115.453 115.453 109.129 6.324 RESID 127 (G): C 174.215 174.215 175.187 -0.972 RESID 127 (G): CA 46.117 46.117 46.653 -0.536 RESID 127 (G): H 8.168 8.168 8.046 0.122 RESID 128 (A): N 123.952 123.952 124.479 -0.527 RESID 128 (A): C 178.162 178.162 179.793 -1.631 RESID 128 (A): CA 53.349 53.349 54.695 -1.346 RESID 128 (A): CB 19.099 19.099 18.252 0.848 RESID 128 (A): H 7.919 7.919 7.433 0.486 RESID 129 (L): N 120.025 120.025 118.582 1.443 RESID 129 (L): C 177.949 177.949 178.964 -1.015 RESID 129 (L): CA 56.019 56.019 57.335 -1.316 RESID 129 (L): CB 42.340 42.340 41.791 0.549 RESID 129 (L): H 7.936 7.936 7.528 0.408 RESID 130 (A): N 123.402 123.402 121.196 2.206 RESID 130 (A): C 177.929 177.929 179.441 -1.512 RESID 130 (A): CA 53.283 53.283 55.117 -1.833 RESID 130 (A): CB 18.964 18.964 18.260 0.704 RESID 130 (A): H 7.868 7.868 8.064 -0.196 RESID 131 (V): N 118.111 118.111 113.884 4.227 RESID 131 (V): C 176.025 176.025 176.549 -0.524 RESID 131 (V): CA 63.180 63.180 64.506 -1.326 RESID 131 (V): CB 32.898 32.898 31.389 1.509 RESID 131 (V): H 7.636 7.636 7.727 -0.091 RESID 132 (A): N 124.047 124.047 122.347 1.700 RESID 132 (A): C 179.008 179.008 179.057 -0.049 RESID 132 (A): CA 53.707 53.707 54.735 -1.028 RESID 132 (A): CB 19.150 19.150 18.775 0.375 RESID 132 (A): H 7.911 7.911 7.614 0.297 RESID 133 (V): N 113.349 113.349 116.544 -3.195 RESID 133 (V): C 175.527 175.527 176.612 -1.085 RESID 133 (V): CA 64.115 64.115 63.325 0.790 RESID 133 (V): CB 31.832 31.832 32.146 -0.314 RESID 133 (V): H 7.094 7.094 7.426 -0.332 RESID 134 (A): N 123.224 123.224 121.818 1.406 RESID 134 (A): CA 55.493 55.493 51.630 3.863 RESID 134 (A): H 7.586 7.586 7.579 0.007 RESID 136 (P): C 177.074 177.074 178.213 -1.139 RESID 137 (T): N 113.281 113.281 109.105 4.176 RESID 137 (T): C 174.485 174.485 176.723 -2.238 RESID 137 (T): CA 64.496 64.496 66.319 -1.823 RESID 137 (T): CB 69.997 69.997 67.817 2.180 RESID 137 (T): H 7.963 7.963 8.341 -0.378 RESID 138 (D): N 122.770 122.770 123.071 -0.301 RESID 138 (D): C 178.458 178.458 178.769 -0.311 RESID 138 (D): CA 56.776 56.776 57.313 -0.537 RESID 138 (D): CB 41.023 41.023 40.238 0.785 RESID 138 (D): H 8.094 8.094 7.657 0.437 RESID 139 (V): N 119.931 119.931 119.293 0.638 RESID 139 (V): C 177.502 177.502 178.158 -0.656 RESID 139 (V): CA 66.455 66.455 66.256 0.199 RESID 139 (V): CB 32.804 32.804 31.450 1.354 RESID 139 (V): H 7.753 7.753 7.905 -0.152 RESID 140 (V): N 120.539 120.539 117.142 3.397 RESID 140 (V): C 176.232 176.232 177.968 -1.736 RESID 140 (V): CA 66.770 66.770 66.784 -0.014 RESID 140 (V): CB 32.086 32.086 30.701 1.385 RESID 140 (V): H 8.295 8.295 8.039 0.256 RESID 141 (K): N 120.122 120.122 120.866 -0.744 RESID 141 (K): C 176.120 176.120 179.276 -3.156 RESID 141 (K): CA 55.991 55.991 59.802 -3.811 RESID 141 (K): CB 31.712 31.712 32.287 -0.575 RESID 141 (K): H 7.698 7.698 7.562 0.136 RESID 142 (V): N 120.104 120.104 117.060 3.044 RESID 142 (V): CA 63.230 63.230 65.954 -2.724 RESID 142 (V): H 7.772 7.772 7.436 0.336 RESID 143 (R): C 178.401 178.401 178.809 -0.408 RESID 143 (R): H 7.999 7.999 7.850 0.149 RESID 144 (F): N 120.445 120.445 120.434 0.011 RESID 144 (F): C 177.856 177.856 176.179 1.677 RESID 144 (F): CA 61.438 61.438 60.901 0.537 RESID 144 (F): H 8.395 8.395 8.765 -0.370 RESID 145 (Q): N 124.180 124.180 116.666 7.514 RESID 145 (Q): C 174.844 174.844 177.625 -2.781 RESID 145 (Q): CA 56.414 56.414 57.744 -1.330 RESID 145 (Q): CB 30.721 30.721 29.047 1.673 RESID 145 (Q): H 8.094 8.094 7.757 0.337 RESID 146 (A): N 120.452 120.452 120.521 -0.069 RESID 146 (A): C 177.929 177.929 177.877 0.052 RESID 146 (A): CA 53.483 53.483 53.029 0.455 RESID 146 (A): CB 18.431 18.431 18.884 -0.453 RESID 146 (A): H 7.939 7.939 7.391 0.548 RESID 147 (Q): N 119.388 119.388 119.266 0.122 RESID 147 (Q): C 176.029 176.029 175.056 0.973 RESID 147 (Q): CA 56.339 56.339 56.301 0.038 RESID 147 (Q): CB 29.444 29.444 28.590 0.854 RESID 147 (Q): H 8.072 8.072 7.554 0.518 RESID 148 (A): N 125.199 125.199 128.692 -3.493 RESID 148 (A): C 177.766 177.766 178.079 -0.313 RESID 148 (A): CA 53.108 53.108 52.522 0.586 RESID 148 (A): CB 19.151 19.151 19.265 -0.114 RESID 148 (A): H 8.055 8.055 8.393 -0.338 RESID 149 (R): N 120.208 120.208 119.376 0.832 RESID 149 (R): CA 56.414 56.414 56.168 0.246 RESID 149 (R): CB 30.749 30.749 30.738 0.011 RESID 149 (R): H 8.018 8.018 7.853 0.165 RESID 159 (T): C 175.928 175.928 176.585 -0.657 RESID 160 (V): N 118.321 118.321 121.026 -2.705 RESID 160 (V): C 177.749 177.749 178.126 -0.377 RESID 160 (V): CA 64.126 64.126 66.294 -2.168 RESID 160 (V): CB 31.343 31.343 31.262 0.081 RESID 160 (V): H 8.073 8.073 7.863 0.210 RESID 161 (E): N 122.379 122.379 120.051 2.328 RESID 161 (E): C 178.783 178.783 178.468 0.315 RESID 161 (E): CA 59.550 59.550 59.151 0.398 RESID 161 (E): CB 29.597 29.597 29.361 0.236 RESID 161 (E): H 8.204 8.204 7.652 0.552 RESID 162 (A): N 122.845 122.845 122.649 0.196 RESID 162 (A): C 179.948 179.948 179.380 0.568 RESID 162 (A): CA 55.181 55.181 55.232 -0.051 RESID 162 (A): CB 18.154 18.154 18.392 -0.238 RESID 162 (A): H 7.786 7.786 8.454 -0.668 RESID 163 (Y): N 118.902 118.902 119.593 -0.691 RESID 163 (Y): C 177.273 177.273 177.898 -0.625 RESID 163 (Y): CA 61.068 61.068 61.791 -0.723 RESID 163 (Y): CB 37.898 37.898 38.695 -0.797 RESID 163 (Y): H 7.922 7.922 8.387 -0.465 RESID 164 (K): N 119.939 119.939 118.350 1.589 RESID 164 (K): C 178.239 178.239 179.296 -1.057 RESID 164 (K): CA 60.309 60.309 59.695 0.614 RESID 164 (K): CB 32.504 32.504 32.599 -0.095 RESID 164 (K): H 8.223 8.223 7.758 0.465 RESID 165 (T): N 115.262 115.262 115.508 -0.246 RESID 165 (T): C 175.676 175.676 176.529 -0.853 RESID 165 (T): CA 66.516 66.516 66.678 -0.162 RESID 165 (T): CB 69.367 69.367 68.650 0.717 RESID 165 (T): H 7.745 7.745 8.046 -0.301 RESID 166 (I): N 121.571 121.571 117.762 3.809 RESID 166 (I): C 177.307 177.307 177.499 -0.192 RESID 166 (I): CA 64.634 64.634 64.733 -0.099 RESID 166 (I): CB 38.896 38.896 36.846 2.050 RESID 166 (I): H 7.540 7.540 7.350 0.190 RESID 167 (A): N 121.983 121.983 123.544 -1.561 RESID 167 (A): C 178.395 178.395 179.942 -1.547 RESID 167 (A): CA 54.656 54.656 54.610 0.046 RESID 167 (A): CB 18.486 18.486 18.005 0.481 RESID 167 (A): H 8.059 8.059 7.677 0.382 RESID 168 (R): N 116.369 116.369 119.150 -2.781 RESID 168 (R): C 177.307 177.307 178.470 -1.163 RESID 168 (R): CA 58.486 58.486 58.694 -0.208 RESID 168 (R): CB 30.930 30.930 30.218 0.712 RESID 168 (R): H 7.690 7.690 7.777 -0.087 RESID 169 (E): N 118.667 118.667 117.466 1.201 RESID 169 (E): C 177.696 177.696 178.261 -0.565 RESID 169 (E): CA 58.212 58.212 58.369 -0.157 RESID 169 (E): CB 30.357 30.357 29.819 0.538 RESID 169 (E): H 8.045 8.045 7.722 0.323 RESID 170 (E): N 118.202 118.202 117.478 0.724 RESID 170 (E): C 177.878 177.878 176.997 0.881 RESID 170 (E): CA 57.363 57.363 56.797 0.566 RESID 170 (E): CB 31.277 31.277 31.107 0.170 RESID 170 (E): H 8.550 8.550 8.333 0.217 RESID 171 (G): N 108.941 108.941 107.448 1.493 RESID 171 (G): C 174.433 174.433 174.867 -0.434 RESID 171 (G): CA 45.193 45.193 44.478 0.715 RESID 171 (G): H 7.881 7.881 7.511 0.370 RESID 172 (I): N 120.842 120.842 116.858 3.984 RESID 172 (I): C 176.997 176.997 176.521 0.476 RESID 172 (I): CA 63.810 63.810 63.239 0.571 RESID 172 (I): CB 38.516 38.516 37.391 1.125 RESID 172 (I): H 8.550 8.550 8.038 0.512 RESID 173 (R): N 119.480 119.480 120.943 -1.463 RESID 173 (R): C 178.084 178.084 178.347 -0.263 RESID 173 (R): CA 58.711 58.711 58.834 -0.123 RESID 173 (R): CB 29.796 29.796 29.343 0.453 RESID 173 (R): H 8.277 8.277 7.980 0.297 RESID 174 (G): N 106.379 106.379 107.277 -0.898 RESID 174 (G): C 175.210 175.210 176.478 -1.268 RESID 174 (G): CA 46.767 46.767 46.575 0.192 RESID 174 (G): H 7.690 7.690 7.930 -0.240 RESID 175 (L): N 120.664 120.664 121.626 -0.962 RESID 175 (L): C 177.971 177.971 178.645 -0.674 RESID 175 (L): CA 57.104 57.104 56.942 0.162 RESID 175 (L): CB 42.559 42.559 42.035 0.524 RESID 175 (L): H 7.554 7.554 7.079 0.475 RESID 176 (W): N 117.031 117.031 117.210 -0.179 RESID 176 (W): C 176.987 176.987 177.476 -0.489 RESID 176 (W): CA 57.672 57.672 55.126 2.546 RESID 176 (W): CB 29.796 29.796 27.522 2.274 RESID 176 (W): H 7.499 7.499 7.830 -0.331 RESID 177 (K): N 120.567 120.567 120.229 0.338 RESID 177 (K): C 177.152 177.152 178.087 -0.935 RESID 177 (K): CA 57.712 57.712 60.157 -2.445 RESID 177 (K): CB 32.890 32.890 32.052 0.838 RESID 177 (K): H 7.595 7.595 7.340 0.255 RESID 178 (G): N 108.667 108.667 103.269 5.398 RESID 178 (G): C 174.045 174.045 175.732 -1.687 RESID 178 (G): CA 45.893 45.893 45.913 -0.020 RESID 178 (G): H 7.881 7.881 7.990 -0.109 RESID 179 (T): N 115.080 115.080 118.570 -3.490 RESID 179 (T): C 175.192 175.192 176.244 -1.052 RESID 179 (T): CA 66.521 66.521 67.315 -0.794 RESID 179 (T): CB 70.079 70.079 68.544 1.535 RESID 179 (T): H 7.622 7.622 7.867 -0.245 RESID 180 (S): N 117.754 117.754 116.069 1.685 RESID 180 (S): CA 63.123 63.123 62.921 0.202 RESID 180 (S): CB 62.045 62.045 62.254 -0.209 RESID 180 (S): H 8.195 8.195 7.884 0.311 RESID 182 (N): C 177.348 177.348 177.727 -0.379 RESID 183 (V): N 118.118 118.118 120.233 -2.115 RESID 183 (V): C 176.944 176.944 177.709 -0.765 RESID 183 (V): CA 65.244 65.244 66.349 -1.105 RESID 183 (V): CB 32.508 32.508 31.026 1.482 RESID 183 (V): H 7.861 7.861 7.694 0.167 RESID 184 (A): N 122.284 122.284 122.527 -0.243 RESID 184 (A): C 178.317 178.317 178.792 -0.475 RESID 184 (A): CA 55.339 55.339 55.392 -0.053 RESID 184 (A): CB 28.230 28.230 18.259 9.971 RESID 184 (A): H 8.097 8.097 7.634 0.463 RESID 185 (R): N 117.321 117.321 119.516 -2.195 RESID 185 (R): C 177.527 177.527 178.219 -0.692 RESID 185 (R): CA 59.543 59.543 59.555 -0.012 RESID 185 (R): CB 29.767 29.767 30.101 -0.334 RESID 185 (R): H 7.611 7.611 8.247 -0.636 RESID 186 (N): N 117.294 117.294 117.850 -0.556 RESID 186 (N): C 176.599 176.599 177.341 -0.742 RESID 186 (N): CA 56.659 56.659 56.429 0.230 RESID 186 (N): CB 39.454 39.454 38.588 0.866 RESID 186 (N): H 8.048 8.048 7.951 0.097 RESID 187 (A): N 121.003 121.003 122.887 -1.884 RESID 187 (A): C 178.713 178.713 179.628 -0.915 RESID 187 (A): CA 55.520 55.520 55.044 0.476 RESID 187 (A): CB 18.097 18.097 18.621 -0.524 RESID 187 (A): H 7.322 7.322 7.762 -0.440 RESID 188 (I): N 119.319 119.319 119.672 -0.353 RESID 188 (I): C 176.634 176.634 177.427 -0.793 RESID 188 (I): CA 64.225 64.225 63.919 0.306 RESID 188 (I): CB 37.658 37.658 38.264 -0.605 RESID 188 (I): H 7.779 7.779 8.015 -0.236 RESID 189 (V): N 117.265 117.265 118.015 -0.750 RESID 189 (V): C 177.529 177.529 177.456 0.073 RESID 189 (V): CA 65.562 65.562 67.188 -1.626 RESID 189 (V): CB 31.407 31.407 31.117 0.290 RESID 189 (V): H 7.776 7.776 7.913 -0.137 RESID 190 (N): N 118.736 118.736 119.835 -1.099 RESID 190 (N): C 176.476 176.476 177.445 -0.969 RESID 190 (N): CA 56.813 56.813 56.454 0.359 RESID 190 (N): CB 38.268 38.268 38.844 -0.576 RESID 190 (N): H 7.800 7.800 7.877 -0.077 RESID 191 (C): N 120.152 120.152 119.625 0.527 RESID 191 (C): C 175.831 175.831 176.771 -0.940 RESID 191 (C): CA 60.293 60.293 62.806 -2.513 RESID 191 (C): CB 41.566 41.566 27.051 14.515 RESID 191 (C): H 7.784 7.784 8.105 -0.321 RESID 192 (A): N 121.963 121.963 122.643 -0.680 RESID 192 (A): C 178.395 178.395 179.368 -0.973 RESID 192 (A): CA 55.280 55.280 55.165 0.115 RESID 192 (A): CB 18.008 18.008 18.241 -0.233 RESID 192 (A): H 8.141 8.141 8.742 -0.601 RESID 193 (E): N 114.548 114.548 119.919 -5.371 RESID 193 (E): C 176.764 176.764 178.882 -2.118 RESID 193 (E): CA 58.262 58.262 59.445 -1.183 RESID 193 (E): CB 29.342 29.342 29.472 -0.130 RESID 193 (E): H 7.595 7.595 8.503 -0.908 RESID 194 (L): N 117.659 117.659 120.297 -2.638 RESID 194 (L): C 176.904 176.904 178.707 -1.803 RESID 194 (L): CA 55.695 55.695 57.523 -1.828 RESID 194 (L): CB 41.655 41.655 41.061 0.594 RESID 194 (L): H 7.459 7.459 8.313 -0.854 RESID 195 (V): N 117.842 117.842 118.662 -0.820 RESID 195 (V): C 177.150 177.150 178.434 -1.284 RESID 195 (V): CA 64.054 64.054 66.487 -2.433 RESID 195 (V): CB 31.079 31.079 31.393 -0.314 RESID 195 (V): H 7.363 7.363 7.540 -0.177 RESID 196 (T): N 122.439 122.439 117.011 5.428 RESID 196 (T): C 175.055 175.055 176.500 -1.445 RESID 196 (T): CA 65.500 65.500 66.690 -1.190 RESID 196 (T): CB 69.490 69.490 68.790 0.700 RESID 196 (T): H 7.940 7.940 8.132 -0.192 RESID 197 (Y): N 122.430 122.430 122.436 -0.006 RESID 197 (Y): C 177.152 177.152 176.720 0.432 RESID 197 (Y): CA 61.892 61.892 61.818 0.074 RESID 197 (Y): CB 38.085 38.085 38.486 -0.401 RESID 197 (Y): H 9.123 9.123 8.957 0.166 RESID 198 (D): N 117.750 117.750 118.747 -0.997 RESID 198 (D): C 177.696 177.696 178.391 -0.695 RESID 198 (D): CA 57.822 57.822 57.528 0.294 RESID 198 (D): CB 40.500 40.500 40.113 0.387 RESID 198 (D): H 8.263 8.263 7.901 0.362 RESID 199 (L): N 120.698 120.698 119.007 1.691 RESID 199 (L): C 180.104 180.104 178.950 1.154 RESID 199 (L): CA 58.092 58.092 57.279 0.813 RESID 199 (L): CB 42.559 42.559 40.932 1.627 RESID 199 (L): H 7.636 7.636 7.364 0.272 RESID 200 (I): N 121.136 121.136 118.667 2.469 RESID 200 (I): C 176.919 176.919 177.330 -0.411 RESID 200 (I): CA 65.482 65.482 64.667 0.815 RESID 200 (I): CB 37.949 37.949 37.418 0.531 RESID 200 (I): H 7.718 7.718 7.196 0.522 RESID 201 (K): N 120.587 120.587 118.085 2.502 RESID 201 (K): C 177.696 177.696 178.581 -0.885 RESID 201 (K): CA 60.683 60.683 59.066 1.617 RESID 201 (K): CB 31.809 31.809 32.506 -0.697 RESID 201 (K): H 8.291 8.291 7.565 0.726 RESID 202 (D): N 117.936 117.936 116.253 1.683 RESID 202 (D): C 178.395 178.395 177.042 1.353 RESID 202 (D): CA 57.672 57.672 56.111 1.561 RESID 202 (D): CB 41.355 41.355 41.203 0.152 RESID 202 (D): H 8.182 8.182 7.846 0.336 RESID 203 (T): N 115.914 115.914 115.024 0.890 RESID 203 (T): CA 61.190 61.190 62.036 -0.847 RESID 203 (T): CB 68.738 68.738 69.504 -0.766 RESID 203 (T): H 7.690 7.690 7.771 -0.081 RESID 204 (L): C 176.047 176.047 175.267 0.780 RESID 204 (L): H 8.051 8.051 8.926 -0.875 RESID 205 (L): N 118.768 118.768 118.746 0.022 RESID 205 (L): C 179.871 179.871 176.529 3.342 RESID 205 (L): CA 55.867 55.867 54.799 1.068 RESID 205 (L): CB 41.887 41.887 41.578 0.309 RESID 205 (L): H 7.977 7.977 7.859 0.118 RESID 206 (K): N 119.775 119.775 119.871 -0.096 RESID 206 (K): C 177.318 177.318 175.880 1.438 RESID 206 (K): CA 58.461 58.461 56.074 2.387 RESID 206 (K): CB 32.734 32.734 30.182 2.552 RESID 206 (K): H 7.677 7.677 8.318 -0.641 RESID 207 (A): N 120.757 120.757 122.125 -1.368 RESID 207 (A): C 176.531 176.531 175.935 0.596 RESID 207 (A): CA 53.083 53.083 52.281 0.802 RESID 207 (A): CB 18.960 18.960 17.903 1.057 RESID 207 (A): H 7.565 7.565 7.902 -0.337 RESID 208 (N): N 115.463 115.463 114.966 0.497 RESID 208 (N): C 174.822 174.822 173.367 1.455 RESID 208 (N): CA 54.351 54.351 53.504 0.848 RESID 208 (N): CB 38.160 38.160 37.563 0.597 RESID 208 (N): H 7.936 7.936 8.217 -0.281 RESID 212 (D): C 174.735 174.735 174.333 0.402 RESID 213 (D): N 116.363 116.363 120.259 -3.896 RESID 213 (D): C 175.553 175.553 176.667 -1.114 RESID 213 (D): CA 54.890 54.890 54.920 -0.030 RESID 213 (D): CB 38.846 38.846 39.347 -0.501 RESID 213 (D): H 8.129 8.129 8.580 -0.451 RESID 214 (L): N 119.486 119.486 120.649 -1.163 RESID 214 (L): CA 59.766 59.766 59.031 0.735 RESID 214 (L): CB 39.579 39.579 41.264 -1.685 RESID 214 (L): H 7.821 7.821 8.525 -0.704 RESID 215 (P): C 177.971 177.971 179.006 -1.035 RESID 215 (P): CA 65.938 65.938 65.895 0.043 RESID 215 (P): CB 30.006 30.006 31.030 -1.024 RESID 216 (C): N 114.211 114.211 114.047 0.164 RESID 216 (C): C 176.142 176.142 177.242 -1.100 RESID 216 (C): CA 58.773 58.773 64.023 -5.250 RESID 216 (C): CB 40.906 40.906 27.517 13.389 RESID 216 (C): H 8.269 8.269 7.807 0.462 RESID 217 (H): N 120.491 120.491 120.665 -0.174 RESID 217 (H): C 176.747 176.747 177.099 -0.352 RESID 217 (H): CA 57.198 57.198 59.825 -2.627 RESID 217 (H): CB 29.886 29.886 29.502 0.384 RESID 217 (H): H 7.301 7.301 7.660 -0.359 RESID 218 (F): N 120.501 120.501 118.144 2.357 RESID 218 (F): C 176.187 176.187 177.611 -1.424 RESID 218 (F): CA 59.045 59.045 61.868 -2.823 RESID 218 (F): CB 38.901 38.901 38.712 0.189 RESID 218 (F): H 8.127 8.127 7.941 0.186 RESID 219 (T): N 112.682 112.682 112.533 0.149 RESID 219 (T): C 175.997 175.997 176.785 -0.788 RESID 219 (T): CA 64.319 64.319 66.369 -2.050 RESID 219 (T): CB 63.282 63.282 68.284 -5.002 RESID 219 (T): H 7.977 7.977 8.198 -0.221 RESID 220 (S): N 117.589 117.589 116.749 0.840 RESID 220 (S): C 175.055 175.055 176.319 -1.264 RESID 220 (S): CA 61.344 61.344 61.552 -0.208 RESID 220 (S): CB 63.440 63.440 62.706 0.734 RESID 220 (S): H 8.004 8.004 7.774 0.230 RESID 221 (A): N 123.860 123.860 123.923 -0.063 RESID 221 (A): C 177.618 177.618 179.657 -2.039 RESID 221 (A): CA 53.932 53.932 54.666 -0.734 RESID 221 (A): CB 18.891 18.891 18.026 0.865 RESID 221 (A): H 7.704 7.704 7.273 0.431 RESID 222 (F): N 116.073 116.073 120.030 -3.957 RESID 222 (F): C 176.142 176.142 177.633 -1.491 RESID 222 (F): CA 58.271 58.271 61.745 -3.474 RESID 222 (F): CB 39.554 39.554 39.059 0.495 RESID 222 (F): H 7.718 7.718 8.045 -0.327 RESID 223 (G): N 108.578 108.578 106.289 2.289 RESID 223 (G): C 173.889 173.889 175.565 -1.676 RESID 223 (G): CA 45.993 45.993 47.074 -1.081 RESID 223 (G): H 7.909 7.909 8.057 -0.148 RESID 224 (A): N 123.322 123.322 124.534 -1.212 RESID 224 (A): C 178.550 178.550 179.772 -1.222 RESID 224 (A): CA 53.608 53.608 54.736 -1.128 RESID 224 (A): CB 19.069 19.069 18.268 0.801 RESID 224 (A): H 8.018 8.018 7.908 0.110 RESID 225 (G): N 107.935 107.935 107.447 0.488 RESID 225 (G): C 175.389 175.389 175.839 -0.450 RESID 225 (G): CA 46.967 46.967 46.813 0.154 RESID 225 (G): H 8.304 8.304 8.612 -0.308 RESID 226 (F): N 122.440 122.440 122.748 -0.308 RESID 226 (F): C 176.998 176.998 177.137 -0.139 RESID 226 (F): CA 60.673 60.673 60.883 -0.210 RESID 226 (F): CB 38.319 38.319 39.274 -0.955 RESID 226 (F): H 8.045 8.045 7.857 0.188 RESID 227 (C): N 116.562 116.562 117.122 -0.560 RESID 227 (C): CA 61.301 61.301 63.565 -2.264 RESID 227 (C): CB 41.286 41.286 27.570 13.716 RESID 227 (C): H 8.016 8.016 7.790 0.226 RESID 228 (T): C 176.437 176.437 176.605 -0.168 RESID 228 (T): H 8.410 8.410 8.298 0.112 RESID 229 (T): N 115.234 115.234 119.203 -3.969 RESID 229 (T): C 176.749 176.749 176.034 0.715 RESID 229 (T): CA 65.980 65.980 66.437 -0.457 RESID 229 (T): CB 67.443 67.443 68.357 -0.914 RESID 229 (T): H 8.188 8.188 7.782 0.406 RESID 230 (V): N 120.723 120.723 120.848 -0.125 RESID 230 (V): C 177.983 177.983 176.933 1.050 RESID 230 (V): CA 66.832 66.832 65.666 1.166 RESID 230 (V): CB 31.168 31.168 31.735 -0.567 RESID 230 (V): H 8.027 8.027 7.368 0.659 RESID 231 (I): N 120.541 120.541 117.771 2.770 RESID 231 (I): C 177.368 177.368 177.099 0.269 RESID 231 (I): CA 65.575 65.575 63.970 1.605 RESID 231 (I): CB 37.722 37.722 37.762 -0.040 RESID 231 (I): H 8.458 8.458 7.108 1.350 RESID 232 (A): N 122.766 122.766 121.219 1.547 RESID 232 (A): C 178.847 178.847 179.700 -0.853 RESID 232 (A): CA 55.252 55.252 54.882 0.370 RESID 232 (A): CB 17.874 17.874 18.499 -0.625 RESID 232 (A): H 8.589 8.589 7.874 0.715 RESID 233 (S): N 113.387 113.387 114.446 -1.059 RESID 233 (S): CA 62.348 62.348 61.940 0.409 RESID 233 (S): CB 61.630 61.630 61.067 0.563 RESID 233 (S): H 8.218 8.218 8.038 0.180 RESID 234 (P): C 178.221 178.221 178.518 -0.297 RESID 235 (V): N 116.087 116.087 113.714 2.373 RESID 235 (V): C 177.089 177.089 177.054 0.035 RESID 235 (V): CA 65.072 65.072 65.932 -0.860 RESID 235 (V): CB 31.084 31.084 30.980 0.104 RESID 235 (V): H 8.142 8.142 7.460 0.682 RESID 236 (D): N 121.556 121.556 120.325 1.231 RESID 236 (D): C 177.422 177.422 178.440 -1.018 RESID 236 (D): CA 57.135 57.135 56.468 0.667 RESID 236 (D): CB 40.065 40.065 39.383 0.682 RESID 236 (D): H 7.932 7.932 7.586 0.346 RESID 237 (V): N 117.233 117.233 121.326 -4.093 RESID 237 (V): CA 64.977 64.977 65.706 -0.729 RESID 237 (V): CB 31.013 31.013 31.400 -0.387 RESID 237 (V): H 7.710 7.710 7.600 0.110 RESID 238 (V): C 177.584 177.584 178.085 -0.501 RESID 238 (V): H 7.607 7.607 7.426 0.181 RESID 239 (K): N 120.095 120.095 117.928 2.167 RESID 239 (K): C 178.678 178.678 178.215 0.463 RESID 239 (K): CA 58.483 58.483 58.972 -0.489 RESID 239 (K): CB 31.863 31.863 31.605 0.258 RESID 239 (K): H 7.761 7.761 7.421 0.340 RESID 240 (T): N 115.247 115.247 113.240 2.007 RESID 240 (T): C 175.093 175.093 174.810 0.283 RESID 240 (T): CA 66.458 66.458 64.285 2.173 RESID 240 (T): CB 68.011 68.011 69.460 -1.449 RESID 240 (T): H 7.761 7.761 7.511 0.250 RESID 241 (R): N 119.633 119.633 119.104 0.529 RESID 241 (R): CA 57.133 57.133 57.627 -0.494 RESID 241 (R): CB 31.218 31.218 29.980 1.238 RESID 241 (R): H 7.383 7.383 7.509 -0.126 RESID 242 (Y): C 174.956 174.956 173.908 1.048 RESID 242 (Y): H 8.699 8.699 8.060 0.639 RESID 243 (M): N 118.458 118.458 123.872 -5.414 RESID 243 (M): C 175.676 175.676 174.568 1.108 RESID 243 (M): CA 54.417 54.417 57.294 -2.877 RESID 243 (M): H 7.442 7.442 8.640 -1.198 RESID 244 (N): N 116.369 116.369 117.997 -1.628 RESID 244 (N): C 174.919 174.919 173.912 1.007 RESID 244 (N): CA 59.470 59.470 52.566 6.904 RESID 244 (N): CB 39.079 39.079 39.234 -0.155 RESID 244 (N): H 7.772 7.772 8.048 -0.276 RESID 245 (S): N 114.568 114.568 116.324 -1.756 RESID 245 (S): C 175.695 175.695 173.651 2.044 RESID 245 (S): CA 53.852 53.852 57.406 -3.554 RESID 245 (S): CB 61.232 61.232 64.527 -3.295 RESID 245 (S): H 8.475 8.475 7.699 0.776 RESID 246 (A): N 127.283 127.283 124.658 2.625 RESID 246 (A): C 177.128 177.128 175.769 1.359 RESID 246 (A): CA 56.803 56.803 52.257 4.546 RESID 246 (A): CB 18.901 18.901 18.892 0.009 RESID 246 (A): H 7.929 7.929 8.357 -0.428 RESID 247 (L): N 118.112 118.112 120.889 -2.777 RESID 247 (L): C 176.723 176.723 176.859 -0.136 RESID 247 (L): CA 54.156 54.156 54.632 -0.476 RESID 247 (L): CB 41.215 41.215 42.230 -1.015 RESID 247 (L): H 7.922 7.922 7.918 0.004 RESID 248 (G): N 107.203 107.203 112.122 -4.919 RESID 248 (G): CA 44.558 44.558 44.558 0.000 RESID 248 (G): H 8.318 8.318 7.963 0.355 RESID 250 (Y): C 175.942 175.942 175.930 0.012 RESID 250 (Y): H 8.134 8.134 8.285 -0.151 RESID 251 (H): N 123.281 123.281 124.096 -0.815 RESID 251 (H): C 174.531 174.531 174.126 0.405 RESID 251 (H): CA 58.931 58.931 58.132 0.799 RESID 251 (H): CB 29.525 29.525 30.557 -1.032 RESID 251 (H): H 8.184 8.184 8.894 -0.710 RESID 252 (S): N 110.038 110.038 110.577 -0.539 RESID 252 (S): C 174.429 174.429 173.626 0.803 RESID 252 (S): CA 57.452 57.452 57.441 0.011 RESID 252 (S): CB 65.022 65.022 66.208 -1.186 RESID 252 (S): H 8.010 8.010 7.741 0.269 RESID 253 (A): N 123.034 123.034 124.804 -1.770 RESID 253 (A): C 179.249 179.249 179.832 -0.583 RESID 253 (A): CA 54.981 54.981 54.901 0.080 RESID 253 (A): CB 19.069 19.069 18.747 0.322 RESID 253 (A): H 8.034 8.034 8.752 -0.718 RESID 254 (G): N 106.379 106.379 106.124 0.255 RESID 254 (G): C 174.433 174.433 175.494 -1.061 RESID 254 (G): CA 47.615 47.615 46.892 0.723 RESID 254 (G): H 8.427 8.427 8.767 -0.340 RESID 255 (H): N 121.119 121.119 122.747 -1.628 RESID 255 (H): C 178.084 178.084 177.128 0.956 RESID 255 (H): CA 60.144 60.144 58.987 1.157 RESID 255 (H): CB 33.073 33.073 29.771 3.301 RESID 255 (H): H 8.304 8.304 8.507 -0.203 RESID 256 (C): N 117.946 117.946 118.060 -0.114 RESID 256 (C): C 175.453 175.453 176.469 -1.016 RESID 256 (C): CA 58.668 58.668 61.631 -2.963 RESID 256 (C): CB 41.434 41.434 26.692 14.742 RESID 256 (C): H 8.168 8.168 7.716 0.452 RESID 257 (A): N 123.138 123.138 124.169 -1.031 RESID 257 (A): C 179.489 179.489 179.133 0.356 RESID 257 (A): CA 54.589 54.589 54.919 -0.330 RESID 257 (A): CB 17.675 17.675 18.050 -0.375 RESID 257 (A): H 7.932 7.932 7.559 0.373 RESID 258 (L): N 119.779 119.779 118.657 1.122 RESID 258 (L): C 178.234 178.234 178.760 -0.526 RESID 258 (L): CA 56.967 56.967 58.010 -1.042 RESID 258 (L): CB 41.067 41.067 41.858 -0.791 RESID 258 (L): H 7.681 7.681 8.217 -0.536 RESID 259 (T): N 114.552 114.552 116.005 -1.453 RESID 259 (T): C 176.244 176.244 176.575 -0.331 RESID 259 (T): CA 66.511 66.511 67.260 -0.749 RESID 259 (T): CB 67.274 67.274 68.692 -1.418 RESID 259 (T): H 7.855 7.855 7.805 0.050 RESID 260 (M): N 118.862 118.862 121.977 -3.115 RESID 260 (M): C 177.094 177.094 177.746 -0.652 RESID 260 (M): CA 58.532 58.532 59.039 -0.507 RESID 260 (M): CB 32.288 32.288 32.580 -0.292 RESID 260 (M): H 8.296 8.296 8.557 -0.261 RESID 261 (L): N 116.839 116.839 120.132 -3.293 RESID 261 (L): C 178.162 178.162 178.861 -0.699 RESID 261 (L): CA 58.167 58.167 58.191 -0.025 RESID 261 (L): CB 42.202 42.202 42.052 0.150 RESID 261 (L): H 8.053 8.053 8.026 0.027 RESID 262 (R): N 116.821 116.821 117.464 -0.643 RESID 262 (R): CA 58.761 58.761 58.489 0.273 RESID 262 (R): CB 30.825 30.825 30.042 0.783 RESID 262 (R): H 7.827 7.827 7.552 0.275 RESID 266 (P): C 177.152 177.152 178.111 -0.959 RESID 266 (P): CA 65.152 65.152 64.225 0.927 RESID 267 (R): N 117.739 117.739 117.802 -0.063 RESID 267 (R): C 177.463 177.463 177.955 -0.492 RESID 267 (R): CA 59.335 59.335 58.630 0.705 RESID 267 (R): CB 30.185 30.185 29.305 0.880 RESID 267 (R): H 8.072 8.072 8.093 -0.021 RESID 268 (A): N 121.709 121.709 121.235 0.474 RESID 268 (A): C 179.251 179.251 177.992 1.259 RESID 268 (A): CA 54.631 54.631 54.605 0.026 RESID 268 (A): CB 18.683 18.683 18.348 0.335 RESID 268 (A): H 7.963 7.963 7.859 0.104 RESID 269 (F): N 117.096 117.096 118.026 -0.930 RESID 269 (F): C 175.987 175.987 177.267 -1.280 RESID 269 (F): CA 61.037 61.037 60.935 0.102 RESID 269 (F): CB 38.637 38.637 39.281 -0.644 RESID 269 (F): H 7.832 7.832 7.683 0.149 RESID 270 (Y): N 118.496 118.496 117.834 0.662 RESID 270 (Y): C 176.250 176.250 176.422 -0.172 RESID 270 (Y): CA 60.116 60.116 60.141 -0.025 RESID 270 (Y): CB 38.882 38.882 38.605 0.278 RESID 270 (Y): H 7.813 7.813 7.688 0.125 RESID 271 (K): N 119.458 119.458 119.181 0.277 RESID 271 (K): C 177.696 177.696 176.511 1.185 RESID 271 (K): CA 57.192 57.192 56.245 0.947 RESID 271 (K): CB 32.734 32.734 33.137 -0.403 RESID 271 (K): H 7.864 7.864 8.000 -0.136 RESID 272 (G): N 106.217 106.217 107.394 -1.177 RESID 272 (G): C 173.967 173.967 173.208 0.759 RESID 272 (G): CA 46.117 46.117 45.672 0.445 RESID 272 (G): H 7.622 7.622 8.285 -0.663 RESID 273 (F): N 118.847 118.847 117.188 1.659 RESID 273 (F): C 175.055 175.055 175.108 -0.053 RESID 273 (F): CA 57.721 57.721 57.202 0.519 RESID 273 (F): CB 40.183 40.183 38.997 1.186 RESID 273 (F): H 7.677 7.677 7.298 0.379 RESID 277 (F): C 176.602 176.602 177.292 -0.690 RESID 277 (F): CA 61.838 61.838 61.967 -0.129 RESID 277 (F): CB 39.537 39.537 39.266 0.271 RESID 277 (F): H 7.695 7.695 8.004 -0.309 RESID 278 (L): N 118.465 118.465 119.671 -1.206 RESID 278 (L): C 177.152 177.152 178.800 -1.648 RESID 278 (L): CA 56.115 56.115 58.408 -2.293 RESID 278 (L): CB 42.398 42.398 41.544 0.854 RESID 278 (L): H 8.104 8.104 8.022 0.082 RESID 279 (R): N 118.749 118.749 119.844 -1.095 RESID 279 (R): C 176.608 176.608 178.986 -2.378 RESID 279 (R): CA 56.938 56.938 58.682 -1.744 RESID 279 (R): CB 30.659 30.659 29.718 0.941 RESID 279 (R): H 7.472 7.472 8.217 -0.745 RESID 280 (L): N 120.305 120.305 119.226 1.079 RESID 280 (L): C 177.540 177.540 179.077 -1.537 RESID 280 (L): CA 57.094 57.094 57.870 -0.776 RESID 280 (L): CB 42.027 42.027 41.532 0.495 RESID 280 (L): H 7.690 7.690 8.467 -0.777 RESID 281 (G): N 106.837 106.837 106.615 0.222 RESID 281 (G): C 174.045 174.045 175.790 -1.745 RESID 281 (G): CA 46.967 46.967 47.382 -0.415 RESID 281 (G): H 7.881 7.881 7.907 -0.026 RESID 282 (S): N 115.531 115.531 117.936 -2.405 RESID 282 (S): C 174.123 174.123 176.416 -2.293 RESID 282 (S): CA 58.796 58.796 61.505 -2.709 RESID 282 (S): CB 58.975 58.975 63.199 -4.224 RESID 282 (S): H 7.813 7.813 7.610 0.203 RESID 283 (W): N 122.851 122.851 123.537 -0.686 RESID 283 (W): C 176.142 176.142 177.714 -1.572 RESID 283 (W): CA 59.221 59.221 60.739 -1.518 RESID 283 (W): CB 30.446 30.446 29.573 0.873 RESID 283 (W): H 8.186 8.186 8.509 -0.323 RESID 284 (N): N 118.459 118.459 117.432 1.027 RESID 284 (N): CA 55.325 55.325 56.377 -1.052 RESID 284 (N): CB 39.504 39.504 38.493 1.011 RESID 284 (N): H 8.127 8.127 7.948 0.179 RESID 285 (V): C 177.263 177.263 177.660 -0.397 RESID 285 (V): H 7.854 7.854 7.609 0.245 RESID 286 (V): N 119.883 119.883 118.930 0.953 RESID 286 (V): C 177.072 177.072 177.876 -0.804 RESID 286 (V): CA 64.717 64.717 66.409 -1.692 RESID 286 (V): CB 29.553 29.553 31.048 -1.495 RESID 286 (V): H 7.483 7.483 7.172 0.311 RESID 287 (M): N 120.401 120.401 119.193 1.208 RESID 287 (M): C 177.594 177.594 178.376 -0.782 RESID 287 (M): CA 57.654 57.654 58.849 -1.195 RESID 287 (M): CB 31.592 31.592 32.221 -0.629 RESID 287 (M): H 8.118 8.118 7.077 1.041 RESID 288 (F): N 122.234 122.234 119.723 2.511 RESID 288 (F): C 176.498 176.498 177.382 -0.884 RESID 288 (F): CA 61.766 61.766 61.806 -0.040 RESID 288 (F): CB 39.031 39.031 39.093 -0.062 RESID 288 (F): H 7.878 7.878 7.822 0.056 RESID 289 (V): N 118.907 118.907 118.291 0.616 RESID 289 (V): CA 64.566 64.566 66.441 -1.875 RESID 289 (V): CB 30.544 30.544 31.516 -0.972 RESID 289 (V): H 7.913 7.913 7.837 0.076 RESID 290 (T): C 175.376 175.376 176.031 -0.655 RESID 290 (T): H 8.095 8.095 7.537 0.558 RESID 291 (Y): N 118.029 118.029 120.010 -1.981 RESID 291 (Y): C 176.919 176.919 177.792 -0.873 RESID 291 (Y): CA 61.717 61.717 61.739 -0.021 RESID 291 (Y): CB 38.020 38.020 37.817 0.203 RESID 291 (Y): H 7.986 7.986 7.414 0.572 RESID 292 (E): N 118.005 118.005 118.920 -0.915 RESID 292 (E): C 176.686 176.686 179.218 -2.532 RESID 292 (E): CA 60.084 60.084 59.724 0.360 RESID 292 (E): CB 29.443 29.443 29.114 0.329 RESID 292 (E): H 8.359 8.359 7.988 0.371 RESID 293 (Q): N 118.746 118.746 118.021 0.725 RESID 293 (Q): C 176.210 176.210 178.379 -2.169 RESID 293 (Q): CA 58.986 58.986 58.297 0.688 RESID 293 (Q): CB 28.784 28.784 28.530 0.254 RESID 293 (Q): H 7.704 7.704 7.517 0.187 RESID 294 (L): N 120.970 120.970 118.628 2.342 RESID 294 (L): C 178.084 178.084 178.390 -0.306 RESID 294 (L): CA 58.741 58.741 57.036 1.705 RESID 294 (L): CB 41.451 41.451 41.922 -0.471 RESID 294 (L): H 7.995 7.995 7.480 0.515 RESID 295 (K): N 117.756 117.756 116.791 0.965 RESID 295 (K): CA 59.048 59.048 58.513 0.535 RESID 295 (K): CB 31.871 31.871 33.002 -1.131 RESID 295 (K): H 7.731 7.731 7.850 -0.119 RESID 296 (R): H 7.895 7.895 8.025 -0.130 RESID 297 (A): C 176.488 176.488 176.251 0.237 RESID 297 (A): H 8.223 8.223 8.494 -0.271 RESID 298 (L): N 117.376 117.376 116.440 0.936 RESID 298 (L): C 178.628 178.628 175.767 2.861 RESID 298 (L): CA 58.217 58.217 54.024 4.193 RESID 298 (L): CB 41.905 41.905 43.255 -1.350 RESID 298 (L): H 7.947 7.947 7.672 0.275 RESID 299 (M): N 127.376 127.376 116.189 11.187 RESID 299 (M): C 178.472 178.472 174.814 3.658 RESID 299 (M): CA 58.461 58.461 55.397 3.064 RESID 299 (M): CB 32.110 32.110 33.809 -1.698 RESID 299 (M): H 8.182 8.182 8.078 0.104 RESID 300 (A): N 121.854 121.854 123.113 -1.259 RESID 300 (A): C 180.197 180.197 176.210 3.987 RESID 300 (A): CA 55.617 55.617 52.001 3.616 RESID 300 (A): CB 18.215 18.215 20.309 -2.095 RESID 300 (A): H 7.841 7.841 8.290 -0.449 RESID 301 (A): N 121.224 121.224 128.518 -7.294 RESID 301 (A): C 178.939 178.939 178.504 0.435 RESID 301 (A): CA 55.186 55.186 54.170 1.016 RESID 301 (A): CB 18.735 18.735 19.142 -0.407 RESID 301 (A): H 7.872 7.872 8.718 -0.846 RESID 302 (Y): N 118.183 118.183 119.675 -1.492 RESID 302 (Y): C 176.841 176.841 177.872 -1.031 RESID 302 (Y): CA 60.868 60.868 61.444 -0.576 RESID 302 (Y): CB 39.344 39.344 38.106 1.238 RESID 302 (Y): H 8.100 8.100 8.434 -0.334 RESID 303 (Q): N 117.243 117.243 118.143 -0.900 RESID 303 (Q): C 176.997 176.997 178.434 -1.437 RESID 303 (Q): CA 58.787 58.787 59.363 -0.576 RESID 303 (Q): CB 29.216 29.216 28.496 0.720 RESID 303 (Q): H 8.059 8.059 8.611 -0.552 RESID 304 (S): N 114.721 114.721 114.773 -0.052 RESID 304 (S): C 174.511 174.511 176.136 -1.625 RESID 304 (S): CA 59.720 59.720 61.403 -1.683 RESID 304 (S): CB 63.896 63.896 63.120 0.776 RESID 304 (S): H 7.718 7.718 7.899 -0.181 RESID 305 (R): N 121.401 121.401 121.786 -0.385 RESID 305 (R): C 175.521 175.521 177.873 -2.352 RESID 305 (R): CA 59.639 59.639 58.559 1.080 RESID 305 (R): CB 30.568 30.568 30.615 -0.047 RESID 305 (R): H 7.609 7.609 8.166 -0.557 RESID 306 (E): N 120.090 120.090 116.844 3.246 RESID 306 (E): C 177.648 177.648 179.071 -1.423 RESID 306 (E): CA 59.624 59.624 58.476 1.148 RESID 306 (E): CB 30.362 30.362 29.237 1.125 RESID 306 (E): H 7.909 7.909 7.602 0.307 RESID 307 (A): N 121.234 121.234 124.999 -3.765 RESID 307 (A): C 176.014 176.014 177.365 -1.351 RESID 307 (A): CA 56.844 56.844 55.279 1.565 RESID 307 (A): CB 17.735 17.735 16.867 0.868 RESID 307 (A): H 7.760 7.760 7.862 -0.102 N HA C CA CB H RESID 16 (K): 1.281 ----- -2.164 0.260 0.448 -0.647 RESID 17 (F): -1.712 ----- -1.999 -0.624 0.848 -0.188 RESID 18 (L): -0.767 ----- -1.322 -1.267 1.339 -0.271 RESID 19 (G): 0.691 ----- -0.603 -1.644 ----- -0.339 RESID 20 (A): 0.342 ----- -0.029 0.089 0.839 0.293 RESID 21 (G): 1.043 ----- -0.598 -0.648 ----- 0.372 RESID 22 (T): 3.973 ----- -0.425 0.949 0.423 -0.409 RESID 23 (A): -1.462 ----- -0.242 0.391 0.063 0.711 RESID 24 (A): -1.088 ----- 0.042 -0.146 0.042 -0.610 RESID 25 (C): 0.108 ----- -0.424 -3.608 13.682 0.234 RESID 26 (I): -0.250 ----- -0.728 0.562 0.791 0.286 RESID 27 (A): -1.842 ----- 0.129 0.163 -0.285 -0.276 RESID 28 (D): -1.108 ----- -0.723 -1.145 0.491 0.018 RESID 29 (L): -0.876 ----- -0.330 -0.749 1.376 0.330 RESID 30 (I): 1.337 ----- 0.127 -2.386 1.299 0.415 RESID 31 (T): -0.094 ----- -0.752 -1.101 0.121 0.541 RESID 32 (F): -0.043 ----- ----- -5.178 1.984 -0.012 RESID 33 (P): ----- ----- 0.266 -2.093 3.605 ----- RESID 34 (L): 9.836 ----- -1.947 -1.359 3.030 1.140 RESID 35 (D): 1.798 ----- -0.828 -2.909 0.622 0.615 RESID 36 (T): 3.943 ----- 1.082 -0.784 0.589 0.089 RESID 37 (A): 0.586 ----- 0.005 0.476 0.549 0.291 RESID 38 (K): -1.159 ----- -0.048 -0.364 0.420 0.344 RESID 39 (V): 0.840 ----- 0.168 -0.283 3.167 0.035 RESID 40 (R): 2.240 ----- -0.516 1.700 -0.205 0.363 RESID 41 (L): -1.802 ----- ----- -1.069 1.404 -0.605 RESID 49 (G): ----- ----- -0.333 ----- ----- ----- RESID 50 (L): 2.491 ----- 0.731 -0.401 -0.258 0.283 RESID 51 (V): 1.173 ----- 0.531 0.755 -0.830 -0.199 RESID 52 (R): 4.677 ----- ----- 0.554 0.064 0.488 RESID 53 (T): ----- ----- 0.970 ----- ----- 0.624 RESID 54 (A): -0.905 ----- -0.594 -0.935 -1.394 0.250 RESID 55 (A): -12.239 ----- 0.942 0.386 -0.421 -1.224 RESID 56 (S): 13.900 ----- 0.769 2.339 -0.069 0.244 RESID 57 (A): -3.265 ----- ----- 0.249 0.140 -0.655 RESID 59 (Y): ----- ----- 1.986 ----- ----- ----- RESID 60 (R): -0.661 ----- 2.905 1.962 0.845 0.009 RESID 61 (G): 2.823 ----- 1.595 2.238 ----- 0.045 RESID 62 (V): -0.712 ----- 0.770 1.636 0.325 -0.256 RESID 63 (L): -0.479 ----- -0.535 0.883 1.683 -0.094 RESID 64 (G): 0.545 ----- 0.316 0.465 ----- -0.237 RESID 65 (T): 2.042 ----- 0.257 -0.310 0.548 0.311 RESID 66 (I): 0.245 ----- 0.429 1.694 0.101 0.663 RESID 67 (L): 0.272 ----- 0.676 0.506 -0.040 0.759 RESID 68 (T): 0.316 ----- 0.160 0.289 0.641 0.770 RESID 69 (M): 3.345 ----- -0.556 0.326 0.922 0.267 RESID 70 (V): 4.011 ----- -1.005 2.101 0.012 0.348 RESID 71 (R): -0.513 ----- -0.703 0.335 0.538 0.305 RESID 72 (T): -2.909 ----- -0.337 -1.363 1.207 0.103 RESID 73 (E): 2.432 ----- 2.086 0.614 -1.423 0.029 RESID 74 (G): 2.631 ----- ----- 1.041 ----- 0.404 RESID 75 (P): ----- ----- -1.323 1.230 -0.039 ----- RESID 76 (R): 0.372 ----- -0.365 1.302 0.187 -0.309 RESID 77 (S): 0.286 ----- 1.852 0.293 0.092 -0.268 RESID 78 (L): 1.790 ----- 0.100 0.933 0.040 0.178 RESID 79 (Y): 6.897 ----- 0.093 2.548 0.492 0.505 RESID 80 (N): -0.864 ----- 2.823 0.208 0.920 0.649 RESID 81 (G): 2.364 ----- 0.746 0.891 ----- 0.269 RESID 82 (L): 1.535 ----- 0.769 0.761 0.279 0.303 RESID 83 (V): -0.348 ----- 1.053 -0.727 0.510 -0.114 RESID 84 (A): -0.118 ----- 1.201 0.677 -0.125 0.445 RESID 85 (G): -0.741 ----- -0.540 0.561 ----- 0.253 RESID 86 (L): 0.408 ----- -0.526 0.159 0.694 0.698 RESID 87 (Q): -0.042 ----- -0.610 -1.081 0.855 0.087 RESID 88 (R): -2.349 ----- -0.846 -1.677 0.883 0.188 RESID 89 (Q): 0.222 ----- -0.989 -1.592 0.485 0.273 RESID 90 (M): -0.352 ----- -1.803 -1.968 1.205 -0.343 RESID 91 (S): -1.335 ----- -0.492 -2.296 1.877 -0.013 RESID 92 (F): -0.755 ----- 0.978 -2.260 -0.110 0.800 RESID 93 (A): 2.827 ----- -0.438 0.652 -0.339 0.470 RESID 94 (S): -1.936 ----- -0.236 -0.839 -0.014 0.378 RESID 95 (V): -1.084 ----- 0.484 -0.203 -0.620 -0.481 RESID 96 (R): 2.352 ----- -0.210 1.159 1.829 0.907 RESID 97 (I): 0.495 ----- 1.204 1.357 -0.043 0.343 RESID 98 (G): 2.344 ----- 1.153 0.765 ----- 0.422 RESID 99 (L): 0.710 ----- -0.589 1.331 0.814 0.087 RESID 100 (Y): 0.133 ----- -0.753 -0.247 0.894 0.303 RESID 101 (D): 0.413 ----- 0.212 0.506 -0.085 -0.075 RESID 102 (S): 0.698 ----- -0.303 1.270 1.055 0.049 RESID 103 (V): -0.219 ----- 0.272 1.952 -0.041 0.258 RESID 104 (K): 0.800 ----- -0.244 0.187 -0.287 0.062 RESID 105 (Q): 0.839 ----- -0.515 0.746 -0.334 -0.128 RESID 106 (F): 1.149 ----- 1.261 0.702 0.124 0.182 RESID 107 (Y): 3.610 ----- -0.227 1.355 -1.632 0.659 RESID 108 (T): 0.729 ----- 1.424 1.576 0.423 0.262 RESID 113 (H): ----- ----- -0.616 ----- ----- -1.057 RESID 114 (A): -0.627 ----- 1.959 1.372 0.215 0.606 RESID 115 (G): 3.203 ----- -0.316 0.576 ----- 0.094 RESID 116 (I): -0.013 ----- -0.675 -1.159 1.026 0.064 RESID 117 (G): 3.473 ----- -1.254 -0.371 ----- 0.103 RESID 118 (S): -1.649 ----- -1.142 -0.951 1.165 -0.119 RESID 119 (R): 0.163 ----- -0.658 -1.543 0.485 -0.239 RESID 120 (L): -1.228 ----- -2.110 -0.195 0.213 0.283 RESID 121 (L): -1.754 ----- -1.928 -2.090 0.234 -0.594 RESID 122 (A): 2.129 ----- -1.470 -2.196 1.223 -1.075 RESID 123 (G): 1.477 ----- 0.578 -1.193 ----- -0.713 RESID 124 (S): -1.235 ----- -1.377 -2.717 1.494 -0.413 RESID 125 (T): -2.723 ----- -0.764 0.513 0.892 -0.222 RESID 126 (T): -0.380 ----- 0.696 -0.910 0.335 -0.311 RESID 127 (G): 6.324 ----- -0.972 -0.536 ----- 0.122 RESID 128 (A): -0.527 ----- -1.631 -1.346 0.848 0.486 RESID 129 (L): 1.443 ----- -1.015 -1.316 0.549 0.408 RESID 130 (A): 2.206 ----- -1.512 -1.833 0.704 -0.196 RESID 131 (V): 4.227 ----- -0.524 -1.326 1.509 -0.091 RESID 132 (A): 1.700 ----- -0.049 -1.028 0.375 0.297 RESID 133 (V): -3.195 ----- -1.085 0.790 -0.314 -0.332 RESID 134 (A): 1.406 ----- ----- 3.863 ----- 0.007 RESID 136 (P): ----- ----- -1.139 ----- ----- ----- RESID 137 (T): 4.176 ----- -2.238 -1.823 2.180 -0.378 RESID 138 (D): -0.301 ----- -0.311 -0.537 0.785 0.437 RESID 139 (V): 0.638 ----- -0.656 0.199 1.354 -0.152 RESID 140 (V): 3.397 ----- -1.736 -0.014 1.385 0.256 RESID 141 (K): -0.744 ----- -3.156 -3.811 -0.575 0.136 RESID 142 (V): 3.044 ----- ----- -2.724 ----- 0.336 RESID 143 (R): ----- ----- -0.408 ----- ----- 0.149 RESID 144 (F): 0.011 ----- 1.677 0.537 ----- -0.370 RESID 145 (Q): 7.514 ----- -2.781 -1.330 1.673 0.337 RESID 146 (A): -0.069 ----- 0.052 0.455 -0.453 0.548 RESID 147 (Q): 0.122 ----- 0.973 0.038 0.854 0.518 RESID 148 (A): -3.493 ----- -0.313 0.586 -0.114 -0.338 RESID 149 (R): 0.832 ----- ----- 0.246 0.011 0.165 RESID 159 (T): ----- ----- -0.657 ----- ----- ----- RESID 160 (V): -2.705 ----- -0.377 -2.168 0.081 0.210 RESID 161 (E): 2.328 ----- 0.315 0.398 0.236 0.552 RESID 162 (A): 0.196 ----- 0.568 -0.051 -0.238 -0.668 RESID 163 (Y): -0.691 ----- -0.625 -0.723 -0.797 -0.465 RESID 164 (K): 1.589 ----- -1.057 0.614 -0.095 0.465 RESID 165 (T): -0.246 ----- -0.853 -0.162 0.717 -0.301 RESID 166 (I): 3.809 ----- -0.192 -0.099 2.050 0.190 RESID 167 (A): -1.561 ----- -1.547 0.046 0.481 0.382 RESID 168 (R): -2.781 ----- -1.163 -0.208 0.712 -0.087 RESID 169 (E): 1.201 ----- -0.565 -0.157 0.538 0.323 RESID 170 (E): 0.724 ----- 0.881 0.566 0.170 0.217 RESID 171 (G): 1.493 ----- -0.434 0.715 ----- 0.370 RESID 172 (I): 3.984 ----- 0.476 0.571 1.125 0.512 RESID 173 (R): -1.463 ----- -0.263 -0.123 0.453 0.297 RESID 174 (G): -0.898 ----- -1.268 0.192 ----- -0.240 RESID 175 (L): -0.962 ----- -0.674 0.162 0.524 0.475 RESID 176 (W): -0.179 ----- -0.489 2.546 2.274 -0.331 RESID 177 (K): 0.338 ----- -0.935 -2.445 0.838 0.255 RESID 178 (G): 5.398 ----- -1.687 -0.020 ----- -0.109 RESID 179 (T): -3.490 ----- -1.052 -0.794 1.535 -0.245 RESID 180 (S): 1.685 ----- ----- 0.202 -0.209 0.311 RESID 182 (N): ----- ----- -0.379 ----- ----- ----- RESID 183 (V): -2.115 ----- -0.765 -1.105 1.482 0.167 RESID 184 (A): -0.243 ----- -0.475 -0.053 9.971 0.463 RESID 185 (R): -2.195 ----- -0.692 -0.012 -0.334 -0.636 RESID 186 (N): -0.556 ----- -0.742 0.230 0.866 0.097 RESID 187 (A): -1.884 ----- -0.915 0.476 -0.524 -0.440 RESID 188 (I): -0.353 ----- -0.793 0.306 -0.605 -0.236 RESID 189 (V): -0.750 ----- 0.073 -1.626 0.290 -0.137 RESID 190 (N): -1.099 ----- -0.969 0.359 -0.576 -0.077 RESID 191 (C): 0.527 ----- -0.940 -2.513 14.515 -0.321 RESID 192 (A): -0.680 ----- -0.973 0.115 -0.233 -0.601 RESID 193 (E): -5.371 ----- -2.118 -1.183 -0.130 -0.908 RESID 194 (L): -2.638 ----- -1.803 -1.828 0.594 -0.854 RESID 195 (V): -0.820 ----- -1.284 -2.433 -0.314 -0.177 RESID 196 (T): 5.428 ----- -1.445 -1.190 0.700 -0.192 RESID 197 (Y): -0.006 ----- 0.432 0.074 -0.401 0.166 RESID 198 (D): -0.997 ----- -0.695 0.294 0.387 0.362 RESID 199 (L): 1.691 ----- 1.154 0.813 1.627 0.272 RESID 200 (I): 2.469 ----- -0.411 0.815 0.531 0.522 RESID 201 (K): 2.502 ----- -0.885 1.617 -0.697 0.726 RESID 202 (D): 1.683 ----- 1.353 1.561 0.152 0.336 RESID 203 (T): 0.890 ----- ----- -0.847 -0.766 -0.081 RESID 204 (L): ----- ----- 0.780 ----- ----- -0.875 RESID 205 (L): 0.022 ----- 3.342 1.068 0.309 0.118 RESID 206 (K): -0.096 ----- 1.438 2.387 2.552 -0.641 RESID 207 (A): -1.368 ----- 0.596 0.802 1.057 -0.337 RESID 208 (N): 0.497 ----- 1.455 0.848 0.597 -0.281 RESID 212 (D): ----- ----- 0.402 ----- ----- ----- RESID 213 (D): -3.896 ----- -1.114 -0.030 -0.501 -0.451 RESID 214 (L): -1.163 ----- ----- 0.735 -1.685 -0.704 RESID 215 (P): ----- ----- -1.035 0.043 -1.024 ----- RESID 216 (C): 0.164 ----- -1.100 -5.250 13.389 0.462 RESID 217 (H): -0.174 ----- -0.352 -2.627 0.384 -0.359 RESID 218 (F): 2.357 ----- -1.424 -2.823 0.189 0.186 RESID 219 (T): 0.149 ----- -0.788 -2.050 -5.002 -0.221 RESID 220 (S): 0.840 ----- -1.264 -0.208 0.734 0.230 RESID 221 (A): -0.063 ----- -2.039 -0.734 0.865 0.431 RESID 222 (F): -3.957 ----- -1.491 -3.474 0.495 -0.327 RESID 223 (G): 2.289 ----- -1.676 -1.081 ----- -0.148 RESID 224 (A): -1.212 ----- -1.222 -1.128 0.801 0.110 RESID 225 (G): 0.488 ----- -0.450 0.154 ----- -0.308 RESID 226 (F): -0.308 ----- -0.139 -0.210 -0.955 0.188 RESID 227 (C): -0.560 ----- ----- -2.264 13.716 0.226 RESID 228 (T): ----- ----- -0.168 ----- ----- 0.112 RESID 229 (T): -3.969 ----- 0.715 -0.457 -0.914 0.406 RESID 230 (V): -0.125 ----- 1.050 1.166 -0.567 0.659 RESID 231 (I): 2.770 ----- 0.269 1.605 -0.040 1.350 RESID 232 (A): 1.547 ----- -0.853 0.370 -0.625 0.715 RESID 233 (S): -1.059 ----- ----- 0.409 0.563 0.180 RESID 234 (P): ----- ----- -0.297 ----- ----- ----- RESID 235 (V): 2.373 ----- 0.035 -0.860 0.104 0.682 RESID 236 (D): 1.231 ----- -1.018 0.667 0.682 0.346 RESID 237 (V): -4.093 ----- ----- -0.729 -0.387 0.110 RESID 238 (V): ----- ----- -0.501 ----- ----- 0.181 RESID 239 (K): 2.167 ----- 0.463 -0.489 0.258 0.340 RESID 240 (T): 2.007 ----- 0.283 2.173 -1.449 0.250 RESID 241 (R): 0.529 ----- ----- -0.494 1.238 -0.126 RESID 242 (Y): ----- ----- 1.048 ----- ----- 0.639 RESID 243 (M): -5.414 ----- 1.108 -2.877 ----- -1.198 RESID 244 (N): -1.628 ----- 1.007 6.904 -0.155 -0.276 RESID 245 (S): -1.756 ----- 2.044 -3.554 -3.295 0.776 RESID 246 (A): 2.625 ----- 1.359 4.546 0.009 -0.428 RESID 247 (L): -2.777 ----- -0.136 -0.476 -1.015 0.004 RESID 248 (G): -4.919 ----- ----- 0.000 ----- 0.355 RESID 250 (Y): ----- ----- 0.012 ----- ----- -0.151 RESID 251 (H): -0.815 ----- 0.405 0.799 -1.032 -0.710 RESID 252 (S): -0.539 ----- 0.803 0.011 -1.186 0.269 RESID 253 (A): -1.770 ----- -0.583 0.080 0.322 -0.718 RESID 254 (G): 0.255 ----- -1.061 0.723 ----- -0.340 RESID 255 (H): -1.628 ----- 0.956 1.157 3.301 -0.203 RESID 256 (C): -0.114 ----- -1.016 -2.963 14.742 0.452 RESID 257 (A): -1.031 ----- 0.356 -0.330 -0.375 0.373 RESID 258 (L): 1.122 ----- -0.526 -1.042 -0.791 -0.536 RESID 259 (T): -1.453 ----- -0.331 -0.749 -1.418 0.050 RESID 260 (M): -3.115 ----- -0.652 -0.507 -0.292 -0.261 RESID 261 (L): -3.293 ----- -0.699 -0.025 0.150 0.027 RESID 262 (R): -0.643 ----- ----- 0.273 0.783 0.275 RESID 266 (P): ----- ----- -0.959 0.927 ----- ----- RESID 267 (R): -0.063 ----- -0.492 0.705 0.880 -0.021 RESID 268 (A): 0.474 ----- 1.259 0.026 0.335 0.104 RESID 269 (F): -0.930 ----- -1.280 0.102 -0.644 0.149 RESID 270 (Y): 0.662 ----- -0.172 -0.025 0.278 0.125 RESID 271 (K): 0.277 ----- 1.185 0.947 -0.403 -0.136 RESID 272 (G): -1.177 ----- 0.759 0.445 ----- -0.663 RESID 273 (F): 1.659 ----- -0.053 0.519 1.186 0.379 RESID 277 (F): ----- ----- -0.690 -0.129 0.271 -0.309 RESID 278 (L): -1.206 ----- -1.648 -2.293 0.854 0.082 RESID 279 (R): -1.095 ----- -2.378 -1.744 0.941 -0.745 RESID 280 (L): 1.079 ----- -1.537 -0.776 0.495 -0.777 RESID 281 (G): 0.222 ----- -1.745 -0.415 ----- -0.026 RESID 282 (S): -2.405 ----- -2.293 -2.709 -4.224 0.203 RESID 283 (W): -0.686 ----- -1.572 -1.518 0.873 -0.323 RESID 284 (N): 1.027 ----- ----- -1.052 1.011 0.179 RESID 285 (V): ----- ----- -0.397 ----- ----- 0.245 RESID 286 (V): 0.953 ----- -0.804 -1.692 -1.495 0.311 RESID 287 (M): 1.208 ----- -0.782 -1.195 -0.629 1.041 RESID 288 (F): 2.511 ----- -0.884 -0.040 -0.062 0.056 RESID 289 (V): 0.616 ----- ----- -1.875 -0.972 0.076 RESID 290 (T): ----- ----- -0.655 ----- ----- 0.558 RESID 291 (Y): -1.981 ----- -0.873 -0.021 0.203 0.572 RESID 292 (E): -0.915 ----- -2.532 0.360 0.329 0.371 RESID 293 (Q): 0.725 ----- -2.169 0.688 0.254 0.187 RESID 294 (L): 2.342 ----- -0.306 1.705 -0.471 0.515 RESID 295 (K): 0.965 ----- ----- 0.535 -1.131 -0.119 RESID 296 (R): ----- ----- ----- ----- ----- -0.130 RESID 297 (A): ----- ----- 0.237 ----- ----- -0.271 RESID 298 (L): 0.936 ----- 2.861 4.193 -1.350 0.275 RESID 299 (M): 11.187 ----- 3.658 3.064 -1.698 0.104 RESID 300 (A): -1.259 ----- 3.987 3.616 -2.095 -0.449 RESID 301 (A): -7.294 ----- 0.435 1.016 -0.407 -0.846 RESID 302 (Y): -1.492 ----- -1.031 -0.576 1.238 -0.334 RESID 303 (Q): -0.900 ----- -1.437 -0.576 0.720 -0.552 RESID 304 (S): -0.052 ----- -1.625 -1.683 0.776 -0.181 RESID 305 (R): -0.385 ----- -2.352 1.080 -0.047 -0.557 RESID 306 (E): 3.246 ----- -1.423 1.148 1.125 0.307 RESID 307 (A): -3.765 ----- -1.351 1.565 0.868 -0.102 DATA CS_STAT_INFO N RMS: 2.625 ppm Count: 236 Average Difference: -0.261 +/- 2.618 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.173 ppm Count: 239 Average Difference: 0.285 +/- 1.140 ppm DATA CS_STAT_INFO CA RMS: 1.544 ppm Count: 241 Average Difference: 0.119 +/- 1.542 ppm DATA CS_STAT_INFO CB RMS: 2.489 ppm Count: 215 Average Difference: -0.625 +/- 2.415 ppm DATA CS_STAT_INFO HN RMS: 0.433 ppm Count: 249 Average Difference: -0.049 +/- 0.431 ppm ############################################################################ For conformer 11: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 124.097 -1.002 RESID 15 (V): C 176.453 176.453 176.419 0.034 RESID 15 (V): CA 63.979 63.979 60.429 3.550 RESID 15 (V): CB 32.507 32.507 36.225 -3.718 RESID 15 (V): H 8.053 8.053 7.666 0.387 RESID 16 (K): N 123.075 123.075 121.627 1.448 RESID 16 (K): C 176.841 176.841 178.613 -1.772 RESID 16 (K): CA 59.762 59.762 59.023 0.740 RESID 16 (K): CB 32.751 32.751 32.557 0.194 RESID 16 (K): H 8.059 8.059 8.695 -0.636 RESID 17 (F): N 118.838 118.838 121.170 -2.332 RESID 17 (F): C 175.443 175.443 176.756 -1.313 RESID 17 (F): CA 59.915 59.915 60.681 -0.766 RESID 17 (F): CB 39.659 39.659 38.672 0.987 RESID 17 (F): H 7.909 7.909 8.145 -0.236 RESID 18 (L): N 119.089 119.089 116.257 2.832 RESID 18 (L): C 177.195 177.195 178.744 -1.549 RESID 18 (L): CA 55.385 55.385 56.938 -1.552 RESID 18 (L): CB 42.905 42.905 40.766 2.139 RESID 18 (L): H 7.814 7.814 7.927 -0.113 RESID 19 (G): N 108.484 108.484 108.488 -0.004 RESID 19 (G): C 174.967 174.967 175.522 -0.555 RESID 19 (G): CA 45.518 45.518 47.000 -1.482 RESID 19 (G): H 8.032 8.032 8.200 -0.168 RESID 20 (A): N 124.208 124.208 123.844 0.364 RESID 20 (A): C 179.405 179.405 179.417 -0.012 RESID 20 (A): CA 54.531 54.531 54.421 0.110 RESID 20 (A): CB 18.995 18.995 18.130 0.865 RESID 20 (A): H 8.318 8.318 7.955 0.363 RESID 21 (G): N 108.209 108.209 107.106 1.103 RESID 21 (G): C 175.676 175.676 176.256 -0.580 RESID 21 (G): CA 46.742 46.742 47.342 -0.600 RESID 21 (G): H 8.523 8.523 8.069 0.454 RESID 22 (T): N 119.542 119.542 115.186 4.356 RESID 22 (T): C 175.661 175.661 176.160 -0.499 RESID 22 (T): CA 66.401 66.401 65.816 0.585 RESID 22 (T): CB 68.866 68.866 68.562 0.304 RESID 22 (T): H 7.881 7.881 8.314 -0.433 RESID 23 (A): N 123.431 123.431 125.240 -1.809 RESID 23 (A): C 178.628 178.628 178.980 -0.352 RESID 23 (A): CA 55.480 55.480 55.064 0.416 RESID 23 (A): CB 18.218 18.218 18.129 0.089 RESID 23 (A): H 8.263 8.263 7.526 0.737 RESID 24 (A): N 119.939 119.939 120.838 -0.899 RESID 24 (A): C 179.172 179.172 179.043 0.129 RESID 24 (A): CA 55.038 55.038 55.023 0.015 RESID 24 (A): CB 18.385 18.385 18.223 0.162 RESID 24 (A): H 7.827 7.827 8.404 -0.577 RESID 25 (C): N 116.736 116.736 117.713 -0.977 RESID 25 (C): C 176.220 176.220 176.450 -0.230 RESID 25 (C): CA 58.596 58.596 62.291 -3.695 RESID 25 (C): CB 41.771 41.771 27.422 14.349 RESID 25 (C): H 7.677 7.677 7.465 0.212 RESID 26 (I): N 119.154 119.154 120.809 -1.655 RESID 26 (I): C 176.915 176.915 176.813 0.102 RESID 26 (I): CA 64.858 64.858 64.116 0.742 RESID 26 (I): CB 38.090 38.090 38.049 0.041 RESID 26 (I): H 7.899 7.899 7.640 0.259 RESID 27 (A): N 121.116 121.116 121.410 -0.294 RESID 27 (A): C 179.016 179.016 179.244 -0.228 RESID 27 (A): CA 55.367 55.367 55.153 0.214 RESID 27 (A): CB 18.385 18.385 18.137 0.248 RESID 27 (A): H 7.909 7.909 7.937 -0.028 RESID 28 (D): N 116.829 116.829 118.324 -1.495 RESID 28 (D): C 177.643 177.643 178.217 -0.574 RESID 28 (D): CA 56.453 56.453 56.366 0.087 RESID 28 (D): CB 41.128 41.128 41.354 -0.226 RESID 28 (D): H 7.554 7.554 7.491 0.063 RESID 29 (L): N 119.672 119.672 121.244 -1.572 RESID 29 (L): C 178.628 178.628 178.756 -0.128 RESID 29 (L): CA 57.144 57.144 58.376 -1.232 RESID 29 (L): CB 43.146 43.146 42.189 0.957 RESID 29 (L): H 7.732 7.732 7.363 0.369 RESID 30 (I): N 113.629 113.629 115.885 -2.256 RESID 30 (I): C 176.456 176.456 175.557 0.899 RESID 30 (I): CA 60.539 60.539 61.631 -1.092 RESID 30 (I): CB 38.506 38.506 38.080 0.426 RESID 30 (I): H 7.977 7.977 7.581 0.396 RESID 31 (T): N 113.314 113.314 110.021 3.293 RESID 31 (T): C 174.045 174.045 175.805 -1.760 RESID 31 (T): CA 62.495 62.495 62.522 -0.027 RESID 31 (T): CB 69.898 69.898 69.958 -0.060 RESID 31 (T): H 7.738 7.738 7.063 0.675 RESID 32 (F): N 123.409 123.409 124.318 -0.909 RESID 32 (F): CA 56.349 56.349 61.911 -5.562 RESID 32 (F): CB 39.148 39.148 36.903 2.245 RESID 32 (F): H 7.609 7.609 8.517 -0.908 RESID 33 (P): C 177.831 177.831 177.846 -0.015 RESID 33 (P): CA 62.656 62.656 65.139 -2.483 RESID 33 (P): CB 34.762 34.762 30.865 3.897 RESID 34 (L): N 124.503 124.503 117.661 6.842 RESID 34 (L): C 176.298 176.298 178.549 -2.251 RESID 34 (L): CA 55.545 55.545 57.354 -1.809 RESID 34 (L): CB 43.287 43.287 41.545 1.742 RESID 34 (L): H 8.659 8.659 7.277 1.382 RESID 35 (D): N 121.663 121.663 118.560 3.103 RESID 35 (D): C 177.152 177.152 177.771 -0.619 RESID 35 (D): CA 54.326 54.326 57.286 -2.960 RESID 35 (D): CB 41.154 41.154 40.966 0.188 RESID 35 (D): H 8.236 8.236 7.616 0.620 RESID 36 (T): N 115.977 115.977 112.356 3.621 RESID 36 (T): C 177.088 177.088 176.212 0.876 RESID 36 (T): CA 64.868 64.868 65.648 -0.780 RESID 36 (T): CB 69.053 69.053 68.641 0.412 RESID 36 (T): H 8.127 8.127 7.855 0.272 RESID 37 (A): N 125.063 125.063 124.018 1.045 RESID 37 (A): C 179.143 179.143 179.275 -0.132 RESID 37 (A): CA 55.234 55.234 54.934 0.301 RESID 37 (A): CB 18.735 18.735 18.555 0.180 RESID 37 (A): H 8.042 8.042 7.738 0.304 RESID 38 (K): N 117.827 117.827 118.353 -0.526 RESID 38 (K): C 178.239 178.239 178.553 -0.314 RESID 38 (K): CA 58.861 58.861 58.819 0.042 RESID 38 (K): CB 32.724 32.724 31.829 0.895 RESID 38 (K): H 7.759 7.759 7.518 0.241 RESID 39 (V): N 118.955 118.955 118.603 0.352 RESID 39 (V): C 177.892 177.892 177.444 0.448 RESID 39 (V): CA 65.478 65.478 65.369 0.109 RESID 39 (V): CB 34.675 34.675 31.771 2.904 RESID 39 (V): H 7.554 7.554 7.383 0.171 RESID 40 (R): N 119.922 119.922 118.137 1.785 RESID 40 (R): C 178.391 178.391 178.787 -0.396 RESID 40 (R): CA 59.648 59.648 57.845 1.803 RESID 40 (R): CB 29.933 29.933 30.185 -0.252 RESID 40 (R): H 7.794 7.794 7.402 0.392 RESID 41 (L): N 118.720 118.720 120.321 -1.601 RESID 41 (L): CA 54.749 54.749 56.080 -1.331 RESID 41 (L): CB 40.429 40.429 39.880 0.549 RESID 41 (L): H 7.534 7.534 7.693 -0.159 RESID 49 (G): C 174.779 174.779 174.757 0.022 RESID 50 (L): N 123.029 123.029 120.945 2.084 RESID 50 (L): C 178.482 178.482 177.995 0.487 RESID 50 (L): CA 56.765 56.765 57.207 -0.442 RESID 50 (L): CB 41.673 41.673 41.484 0.189 RESID 50 (L): H 8.113 8.113 8.056 0.057 RESID 51 (V): N 118.714 118.714 119.122 -0.408 RESID 51 (V): C 178.032 178.032 177.105 0.927 RESID 51 (V): CA 66.037 66.037 65.733 0.304 RESID 51 (V): CB 30.763 30.763 31.744 -0.981 RESID 51 (V): H 7.974 7.974 8.118 -0.144 RESID 52 (R): N 121.569 121.569 116.834 4.735 RESID 52 (R): CA 59.167 59.167 58.387 0.780 RESID 52 (R): CB 29.437 29.437 30.190 -0.753 RESID 52 (R): H 8.231 8.231 8.101 0.130 RESID 53 (T): C 175.108 175.108 174.349 0.759 RESID 53 (T): H 7.948 7.948 7.427 0.521 RESID 54 (A): N 121.823 121.823 123.667 -1.844 RESID 54 (A): C 174.922 174.922 176.363 -1.441 RESID 54 (A): CA 50.101 50.101 51.258 -1.157 RESID 54 (A): CB 18.950 18.950 19.249 -0.299 RESID 54 (A): H 7.792 7.792 7.711 0.081 RESID 55 (A): N 113.986 113.986 125.483 -11.497 RESID 55 (A): C 178.007 178.007 176.764 1.243 RESID 55 (A): CA 53.458 53.458 53.269 0.189 RESID 55 (A): CB 18.809 18.809 19.390 -0.581 RESID 55 (A): H 7.333 7.333 8.675 -1.342 RESID 56 (S): N 125.425 125.425 113.729 11.696 RESID 56 (S): C 174.899 174.899 173.789 1.110 RESID 56 (S): CA 59.520 59.520 57.406 2.114 RESID 56 (S): CB 64.051 64.051 63.139 0.912 RESID 56 (S): H 7.786 7.786 7.408 0.378 RESID 57 (A): N 118.183 118.183 121.322 -3.139 RESID 57 (A): CA 53.783 53.783 53.700 0.083 RESID 57 (A): CB 17.599 17.599 17.828 -0.228 RESID 57 (A): H 8.018 8.018 7.849 0.169 RESID 59 (Y): C 177.662 177.662 176.851 0.811 RESID 60 (R): N 122.798 122.798 117.501 5.297 RESID 60 (R): C 177.956 177.956 175.406 2.550 RESID 60 (R): CA 58.711 58.711 55.758 2.954 RESID 60 (R): CB 30.659 30.659 32.073 -1.414 RESID 60 (R): H 8.311 8.311 8.201 0.110 RESID 61 (G): N 109.033 109.033 111.500 -2.467 RESID 61 (G): C 176.064 176.064 175.590 0.474 RESID 61 (G): CA 46.592 46.592 45.584 1.008 RESID 61 (G): H 8.182 8.182 8.185 -0.003 RESID 62 (V): N 123.218 123.218 125.812 -2.594 RESID 62 (V): C 177.540 177.540 178.130 -0.590 RESID 62 (V): CA 66.277 66.277 64.359 1.918 RESID 62 (V): CB 32.355 32.355 31.619 0.736 RESID 62 (V): H 8.105 8.105 8.510 -0.405 RESID 63 (L): N 120.295 120.295 120.659 -0.364 RESID 63 (L): C 178.628 178.628 178.537 0.091 RESID 63 (L): CA 58.366 58.366 57.493 0.873 RESID 63 (L): CB 41.675 41.675 41.379 0.296 RESID 63 (L): H 8.182 8.182 8.196 -0.014 RESID 64 (G): N 106.013 106.013 104.515 1.498 RESID 64 (G): C 176.531 176.531 176.081 0.450 RESID 64 (G): CA 47.765 47.765 47.061 0.704 RESID 64 (G): H 8.102 8.102 7.687 0.415 RESID 65 (T): N 120.842 120.842 117.441 3.401 RESID 65 (T): C 176.453 176.453 176.575 -0.122 RESID 65 (T): CA 67.140 67.140 65.414 1.726 RESID 65 (T): CB 69.161 69.161 68.880 0.281 RESID 65 (T): H 7.854 7.854 7.411 0.443 RESID 66 (I): N 122.676 122.676 121.807 0.869 RESID 66 (I): C 177.307 177.307 177.455 -0.148 RESID 66 (I): CA 65.832 65.832 65.284 0.548 RESID 66 (I): CB 38.090 38.090 37.748 0.342 RESID 66 (I): H 8.018 8.018 7.524 0.494 RESID 67 (L): N 119.838 119.838 119.915 -0.077 RESID 67 (L): C 178.706 178.706 178.621 0.085 RESID 67 (L): CA 58.491 58.491 58.459 0.032 RESID 67 (L): CB 41.387 41.387 40.856 0.531 RESID 67 (L): H 8.291 8.291 7.533 0.758 RESID 68 (T): N 115.362 115.362 115.003 0.359 RESID 68 (T): C 176.764 176.764 176.587 0.177 RESID 68 (T): CA 67.040 67.040 66.644 0.396 RESID 68 (T): CB 69.403 69.403 68.725 0.678 RESID 68 (T): H 7.963 7.963 7.184 0.779 RESID 69 (M): N 122.960 122.960 121.311 1.649 RESID 69 (M): C 177.153 177.153 177.812 -0.659 RESID 69 (M): CA 59.710 59.710 59.265 0.445 RESID 69 (M): CB 33.111 33.111 32.744 0.367 RESID 69 (M): H 7.977 7.977 7.621 0.356 RESID 70 (V): N 119.558 119.558 117.214 2.344 RESID 70 (V): C 176.841 176.841 178.653 -1.812 RESID 70 (V): CA 66.277 66.277 65.003 1.274 RESID 70 (V): CB 31.362 31.362 31.589 -0.227 RESID 70 (V): H 7.751 7.751 7.438 0.313 RESID 71 (R): N 118.002 118.002 118.478 -0.476 RESID 71 (R): C 177.152 177.152 177.850 -0.698 RESID 71 (R): CA 58.761 58.761 57.694 1.067 RESID 71 (R): CB 30.656 30.656 29.616 1.040 RESID 71 (R): H 7.827 7.827 7.659 0.168 RESID 72 (T): N 111.410 111.410 114.817 -3.407 RESID 72 (T): C 175.288 175.288 175.710 -0.422 RESID 72 (T): CA 64.194 64.194 65.425 -1.231 RESID 72 (T): CB 70.312 70.312 69.104 1.208 RESID 72 (T): H 7.745 7.745 7.746 -0.001 RESID 73 (E): N 120.577 120.577 118.613 1.964 RESID 73 (E): C 177.696 177.696 175.969 1.727 RESID 73 (E): CA 57.363 57.363 56.747 0.616 RESID 73 (E): CB 30.927 30.927 31.481 -0.554 RESID 73 (E): H 8.263 8.263 8.278 -0.015 RESID 74 (G): N 108.209 108.209 105.886 2.323 RESID 74 (G): CA 45.593 45.593 44.600 0.993 RESID 74 (G): H 7.841 7.841 7.471 0.370 RESID 75 (P): C 177.152 177.152 178.528 -1.376 RESID 75 (P): CA 65.652 65.652 64.312 1.340 RESID 75 (P): CB 32.294 32.294 32.380 -0.086 RESID 76 (R): N 118.553 118.553 118.071 0.482 RESID 76 (R): C 177.696 177.696 177.181 0.515 RESID 76 (R): CA 59.785 59.785 58.183 1.602 RESID 76 (R): CB 29.671 29.671 29.831 -0.160 RESID 76 (R): H 8.427 8.427 8.581 -0.154 RESID 77 (S): N 115.323 115.323 113.414 1.909 RESID 77 (S): C 177.230 177.230 176.436 0.794 RESID 77 (S): CA 61.318 61.318 60.747 0.571 RESID 77 (S): CB 63.281 63.281 64.129 -0.848 RESID 77 (S): H 7.963 7.963 8.009 -0.046 RESID 78 (L): N 122.598 122.598 122.056 0.542 RESID 78 (L): C 177.696 177.696 177.854 -0.158 RESID 78 (L): CA 57.792 57.792 57.060 0.732 RESID 78 (L): CB 42.202 42.202 42.371 -0.169 RESID 78 (L): H 7.595 7.595 7.793 -0.198 RESID 79 (Y): N 119.276 119.276 113.917 5.359 RESID 79 (Y): C 176.142 176.142 175.073 1.069 RESID 79 (Y): CA 60.792 60.792 58.900 1.892 RESID 79 (Y): CB 38.687 38.687 38.493 0.194 RESID 79 (Y): H 7.868 7.868 7.612 0.256 RESID 80 (N): N 117.249 117.249 116.343 0.906 RESID 80 (N): C 178.472 178.472 175.417 3.055 RESID 80 (N): CA 53.024 53.024 52.635 0.390 RESID 80 (N): CB 37.946 37.946 40.361 -2.415 RESID 80 (N): H 8.374 8.374 7.343 1.031 RESID 81 (G): N 108.575 108.575 109.525 -0.950 RESID 81 (G): C 175.521 175.521 175.486 0.035 RESID 81 (G): CA 46.266 46.266 45.455 0.811 RESID 81 (G): H 8.086 8.086 8.616 -0.530 RESID 82 (L): N 124.326 124.326 121.873 2.453 RESID 82 (L): C 178.239 178.239 178.306 -0.067 RESID 82 (L): CA 58.217 58.217 57.195 1.022 RESID 82 (L): CB 42.351 42.351 41.568 0.783 RESID 82 (L): H 7.991 7.991 8.100 -0.109 RESID 83 (V): N 117.727 117.727 117.488 0.239 RESID 83 (V): C 177.851 177.851 177.335 0.516 RESID 83 (V): CA 64.113 64.113 65.246 -1.133 RESID 83 (V): CB 31.924 31.924 31.352 0.572 RESID 83 (V): H 8.004 8.004 7.967 0.037 RESID 84 (A): N 121.414 121.414 122.305 -0.891 RESID 84 (A): C 180.570 180.570 179.052 1.518 RESID 84 (A): CA 55.031 55.031 54.232 0.799 RESID 84 (A): CB 18.286 18.286 18.159 0.127 RESID 84 (A): H 7.677 7.677 7.219 0.458 RESID 85 (G): N 106.471 106.471 107.440 -0.969 RESID 85 (G): C 175.521 175.521 175.800 -0.279 RESID 85 (G): CA 47.191 47.191 46.543 0.648 RESID 85 (G): H 7.963 7.963 7.766 0.197 RESID 86 (L): N 122.326 122.326 122.595 -0.269 RESID 86 (L): C 178.239 178.239 178.102 0.137 RESID 86 (L): CA 57.493 57.493 57.780 -0.287 RESID 86 (L): CB 42.202 42.202 42.070 0.132 RESID 86 (L): H 8.100 8.100 7.465 0.635 RESID 87 (Q): N 117.736 117.736 117.358 0.378 RESID 87 (Q): C 177.340 177.340 177.849 -0.509 RESID 87 (Q): CA 57.787 57.787 58.429 -0.642 RESID 87 (Q): CB 28.942 28.942 27.526 1.416 RESID 87 (Q): H 8.004 8.004 7.845 0.159 RESID 88 (R): N 118.107 118.107 119.776 -1.669 RESID 88 (R): C 177.930 177.930 178.857 -0.927 RESID 88 (R): CA 58.062 58.062 59.485 -1.423 RESID 88 (R): CB 30.774 30.774 29.644 1.130 RESID 88 (R): H 7.568 7.568 7.309 0.259 RESID 89 (Q): N 117.921 117.921 118.969 -1.048 RESID 89 (Q): C 177.375 177.375 178.447 -1.072 RESID 89 (Q): CA 56.838 56.838 58.228 -1.390 RESID 89 (Q): CB 29.006 29.006 28.726 0.281 RESID 89 (Q): H 7.827 7.827 7.405 0.422 RESID 90 (M): N 118.378 118.378 118.573 -0.195 RESID 90 (M): C 176.365 176.365 178.343 -1.978 RESID 90 (M): CA 56.339 56.339 59.118 -2.780 RESID 90 (M): CB 33.444 33.444 32.432 1.012 RESID 90 (M): H 7.963 7.963 8.481 -0.518 RESID 91 (S): N 115.089 115.089 116.327 -1.238 RESID 91 (S): C 175.899 175.899 176.609 -0.710 RESID 91 (S): CA 58.621 58.621 60.836 -2.215 RESID 91 (S): CB 64.337 64.337 62.677 1.660 RESID 91 (S): H 7.868 7.868 7.798 0.070 RESID 92 (F): N 122.852 122.852 122.958 -0.106 RESID 92 (F): C 177.375 177.375 176.238 1.137 RESID 92 (F): CA 59.095 59.095 61.206 -2.111 RESID 92 (F): CB 38.937 38.937 38.932 0.005 RESID 92 (F): H 8.332 8.332 7.528 0.804 RESID 93 (A): N 123.258 123.258 119.011 4.247 RESID 93 (A): C 178.628 178.628 179.378 -0.750 RESID 93 (A): CA 54.881 54.881 54.605 0.276 RESID 93 (A): CB 17.902 17.902 18.219 -0.317 RESID 93 (A): H 8.223 8.223 7.592 0.631 RESID 94 (S): N 112.886 112.886 114.819 -1.933 RESID 94 (S): C 176.831 176.831 176.984 -0.153 RESID 94 (S): CA 60.319 60.319 61.489 -1.171 RESID 94 (S): CB 63.611 63.611 63.130 0.481 RESID 94 (S): H 7.977 7.977 7.591 0.386 RESID 95 (V): N 121.854 121.854 116.972 4.882 RESID 95 (V): C 176.220 176.220 176.197 0.023 RESID 95 (V): CA 64.629 64.629 65.332 -0.702 RESID 95 (V): CB 31.328 31.328 31.332 -0.004 RESID 95 (V): H 7.581 7.581 7.603 -0.022 RESID 96 (R): N 121.329 121.329 114.831 6.498 RESID 96 (R): C 176.814 176.814 176.398 0.416 RESID 96 (R): CA 58.636 58.636 57.247 1.389 RESID 96 (R): CB 30.672 30.672 27.925 2.747 RESID 96 (R): H 7.936 7.936 7.272 0.664 RESID 97 (I): N 119.194 119.194 119.342 -0.148 RESID 97 (I): C 177.152 177.152 176.056 1.096 RESID 97 (I): CA 63.296 63.296 62.107 1.189 RESID 97 (I): CB 38.757 38.757 38.348 0.409 RESID 97 (I): H 7.802 7.802 7.462 0.340 RESID 98 (G): N 109.857 109.857 108.112 1.745 RESID 98 (G): C 176.064 176.064 174.473 1.591 RESID 98 (G): CA 46.941 46.941 46.145 0.796 RESID 98 (G): H 8.127 8.127 7.602 0.525 RESID 99 (L): N 123.258 123.258 122.558 0.700 RESID 99 (L): C 177.856 177.856 177.841 0.015 RESID 99 (L): CA 58.264 58.264 56.985 1.279 RESID 99 (L): CB 42.488 42.488 42.261 0.226 RESID 99 (L): H 8.223 8.223 8.125 0.098 RESID 100 (Y): N 119.770 119.770 119.229 0.541 RESID 100 (Y): C 176.997 176.997 177.158 -0.161 RESID 100 (Y): CA 61.592 61.592 61.776 -0.184 RESID 100 (Y): CB 38.809 38.809 38.087 0.722 RESID 100 (Y): H 8.207 8.207 8.180 0.027 RESID 101 (D): N 118.460 118.460 117.633 0.827 RESID 101 (D): C 178.939 178.939 178.531 0.408 RESID 101 (D): CA 57.797 57.797 56.867 0.930 RESID 101 (D): CB 40.498 40.498 39.645 0.853 RESID 101 (D): H 8.401 8.401 8.562 -0.161 RESID 102 (S): N 116.022 116.022 115.729 0.293 RESID 102 (S): C 176.005 176.005 176.311 -0.306 RESID 102 (S): CA 62.791 62.791 61.599 1.192 RESID 102 (S): CB 64.211 64.211 63.240 0.971 RESID 102 (S): H 7.854 7.854 7.687 0.167 RESID 103 (V): N 120.844 120.844 120.821 0.023 RESID 103 (V): C 177.307 177.307 177.075 0.232 RESID 103 (V): CA 66.510 66.510 64.782 1.728 RESID 103 (V): CB 31.965 31.965 31.525 0.440 RESID 103 (V): H 7.926 7.926 7.474 0.452 RESID 104 (K): N 120.468 120.468 119.597 0.871 RESID 104 (K): C 178.861 178.861 178.911 -0.050 RESID 104 (K): CA 60.184 60.184 59.915 0.269 RESID 104 (K): CB 31.979 31.979 32.390 -0.411 RESID 104 (K): H 8.127 8.127 8.029 0.098 RESID 105 (Q): N 118.386 118.386 117.282 1.104 RESID 105 (Q): C 177.540 177.540 177.812 -0.272 RESID 105 (Q): CA 58.786 58.786 57.853 0.933 RESID 105 (Q): CB 28.377 28.377 28.830 -0.453 RESID 105 (Q): H 7.841 7.841 8.128 -0.287 RESID 106 (F): N 119.471 119.471 117.879 1.592 RESID 106 (F): C 176.531 176.531 175.519 1.012 RESID 106 (F): CA 60.593 60.593 60.182 0.411 RESID 106 (F): CB 39.459 39.459 39.348 0.111 RESID 106 (F): H 7.772 7.772 7.519 0.253 RESID 107 (Y): N 118.288 118.288 112.856 5.432 RESID 107 (Y): C 176.220 176.220 176.762 -0.542 RESID 107 (Y): CA 60.543 60.543 58.005 2.538 RESID 107 (Y): CB 38.819 38.819 39.994 -1.175 RESID 107 (Y): H 8.045 8.045 7.321 0.724 RESID 108 (T): N 113.383 113.383 110.209 3.174 RESID 108 (T): C 175.288 175.288 174.656 0.632 RESID 108 (T): CA 64.094 64.094 61.829 2.265 RESID 108 (T): CB 69.986 69.986 69.450 0.536 RESID 108 (T): H 7.868 7.868 7.542 0.327 RESID 113 (H): C 173.413 173.413 173.964 -0.551 RESID 113 (H): H 7.968 7.968 8.268 -0.300 RESID 114 (A): N 119.456 119.456 125.968 -6.512 RESID 114 (A): C 177.851 177.851 176.048 1.803 RESID 114 (A): CA 53.283 53.283 52.264 1.020 RESID 114 (A): CB 19.362 19.362 19.349 0.013 RESID 114 (A): H 8.433 8.433 7.553 0.880 RESID 115 (G): N 108.484 108.484 106.650 1.834 RESID 115 (G): C 174.822 174.822 175.185 -0.363 RESID 115 (G): CA 45.968 45.968 44.935 1.033 RESID 115 (G): H 8.250 8.250 8.118 0.132 RESID 116 (I): N 121.139 121.139 121.526 -0.387 RESID 116 (I): C 176.841 176.841 176.861 -0.020 RESID 116 (I): CA 63.160 63.160 63.801 -0.641 RESID 116 (I): CB 38.853 38.853 38.023 0.830 RESID 116 (I): H 8.127 8.127 8.153 -0.026 RESID 117 (G): N 110.863 110.863 107.310 3.553 RESID 117 (G): C 174.588 174.588 175.527 -0.939 RESID 117 (G): CA 46.791 46.791 47.324 -0.533 RESID 117 (G): H 8.509 8.509 8.438 0.071 RESID 118 (S): N 116.069 116.069 118.937 -2.868 RESID 118 (S): C 175.754 175.754 176.743 -0.989 RESID 118 (S): CA 60.319 60.319 62.721 -2.402 RESID 118 (S): CB 63.864 63.864 62.729 1.135 RESID 118 (S): H 7.991 7.991 8.135 -0.144 RESID 119 (R): N 122.134 122.134 120.509 1.625 RESID 119 (R): C 178.228 178.228 178.583 -0.355 RESID 119 (R): CA 57.787 57.787 59.877 -2.090 RESID 119 (R): CB 30.549 30.549 30.278 0.271 RESID 119 (R): H 7.963 7.963 8.005 -0.042 RESID 120 (L): N 120.403 120.403 120.651 -0.248 RESID 120 (L): C 177.230 177.230 178.399 -1.169 RESID 120 (L): CA 57.967 57.967 57.980 -0.013 RESID 120 (L): CB 42.146 42.146 41.317 0.829 RESID 120 (L): H 7.914 7.914 7.275 0.639 RESID 121 (L): N 118.960 118.960 120.766 -1.806 RESID 121 (L): C 177.152 177.152 178.382 -1.230 RESID 121 (L): CA 55.495 55.495 58.175 -2.680 RESID 121 (L): CB 42.238 42.238 41.588 0.650 RESID 121 (L): H 7.718 7.718 8.079 -0.361 RESID 122 (A): N 123.063 123.063 121.526 1.537 RESID 122 (A): C 178.317 178.317 180.058 -1.741 RESID 122 (A): CA 53.358 53.358 55.454 -2.096 RESID 122 (A): CB 19.218 19.218 18.316 0.902 RESID 122 (A): H 7.745 7.745 8.612 -0.867 RESID 123 (G): N 107.843 107.843 107.070 0.773 RESID 123 (G): C 176.912 176.912 176.413 0.499 RESID 123 (G): CA 45.943 45.943 47.207 -1.264 RESID 123 (G): H 8.113 8.113 8.813 -0.700 RESID 124 (S): N 116.105 116.105 117.053 -0.948 RESID 124 (S): C 175.574 175.574 176.886 -1.312 RESID 124 (S): CA 59.145 59.145 61.487 -2.342 RESID 124 (S): CB 64.211 64.211 62.995 1.216 RESID 124 (S): H 8.109 8.109 8.433 -0.324 RESID 125 (T): N 116.069 116.069 119.060 -2.991 RESID 125 (T): C 176.055 176.055 176.820 -0.765 RESID 125 (T): CA 66.921 66.921 66.847 0.075 RESID 125 (T): CB 69.682 69.682 68.756 0.926 RESID 125 (T): H 8.086 8.086 8.317 -0.231 RESID 126 (T): N 115.439 115.439 118.916 -3.477 RESID 126 (T): C 177.443 177.443 176.719 0.724 RESID 126 (T): CA 65.285 65.285 67.243 -1.958 RESID 126 (T): CB 68.364 68.364 68.168 0.196 RESID 126 (T): H 7.977 7.977 8.510 -0.533 RESID 127 (G): N 115.453 115.453 108.736 6.717 RESID 127 (G): C 174.215 174.215 175.055 -0.840 RESID 127 (G): CA 46.117 46.117 46.831 -0.714 RESID 127 (G): H 8.168 8.168 8.171 -0.003 RESID 128 (A): N 123.952 123.952 124.481 -0.529 RESID 128 (A): C 178.162 178.162 179.420 -1.258 RESID 128 (A): CA 53.349 53.349 54.775 -1.426 RESID 128 (A): CB 19.099 19.099 18.530 0.569 RESID 128 (A): H 7.919 7.919 7.447 0.472 RESID 129 (L): N 120.025 120.025 118.567 1.458 RESID 129 (L): C 177.949 177.949 179.136 -1.187 RESID 129 (L): CA 56.019 56.019 57.487 -1.468 RESID 129 (L): CB 42.340 42.340 41.073 1.267 RESID 129 (L): H 7.936 7.936 7.578 0.358 RESID 130 (A): N 123.402 123.402 121.320 2.082 RESID 130 (A): C 177.929 177.929 179.487 -1.558 RESID 130 (A): CA 53.283 53.283 55.245 -1.962 RESID 130 (A): CB 18.964 18.964 18.416 0.548 RESID 130 (A): H 7.868 7.868 8.077 -0.209 RESID 131 (V): N 118.111 118.111 115.811 2.300 RESID 131 (V): C 176.025 176.025 177.558 -1.533 RESID 131 (V): CA 63.180 63.180 64.792 -1.612 RESID 131 (V): CB 32.898 32.898 30.932 1.966 RESID 131 (V): H 7.636 7.636 7.894 -0.258 RESID 132 (A): N 124.047 124.047 122.632 1.415 RESID 132 (A): C 179.008 179.008 178.717 0.291 RESID 132 (A): CA 53.707 53.707 54.593 -0.886 RESID 132 (A): CB 19.150 19.150 18.630 0.520 RESID 132 (A): H 7.911 7.911 7.617 0.294 RESID 133 (V): N 113.349 113.349 119.061 -5.712 RESID 133 (V): C 175.527 175.527 176.008 -0.481 RESID 133 (V): CA 64.115 64.115 63.247 0.868 RESID 133 (V): CB 31.832 31.832 32.817 -0.985 RESID 133 (V): H 7.094 7.094 7.454 -0.360 RESID 134 (A): N 123.224 123.224 120.476 2.748 RESID 134 (A): CA 55.493 55.493 51.924 3.569 RESID 134 (A): H 7.586 7.586 7.540 0.046 RESID 136 (P): C 177.074 177.074 178.462 -1.388 RESID 137 (T): N 113.281 113.281 111.943 1.338 RESID 137 (T): C 174.485 174.485 176.208 -1.723 RESID 137 (T): CA 64.496 64.496 67.090 -2.594 RESID 137 (T): CB 69.997 69.997 68.049 1.948 RESID 137 (T): H 7.963 7.963 8.022 -0.059 RESID 138 (D): N 122.770 122.770 121.323 1.447 RESID 138 (D): C 178.458 178.458 178.608 -0.150 RESID 138 (D): CA 56.776 56.776 57.207 -0.431 RESID 138 (D): CB 41.023 41.023 40.316 0.707 RESID 138 (D): H 8.094 8.094 7.748 0.346 RESID 139 (V): N 119.931 119.931 117.466 2.465 RESID 139 (V): C 177.502 177.502 178.309 -0.807 RESID 139 (V): CA 66.455 66.455 66.133 0.322 RESID 139 (V): CB 32.804 32.804 31.128 1.676 RESID 139 (V): H 7.753 7.753 7.848 -0.095 RESID 140 (V): N 120.539 120.539 121.532 -0.993 RESID 140 (V): C 176.232 176.232 177.265 -1.033 RESID 140 (V): CA 66.770 66.770 66.255 0.515 RESID 140 (V): CB 32.086 32.086 31.459 0.627 RESID 140 (V): H 8.295 8.295 8.013 0.282 RESID 141 (K): N 120.122 120.122 119.949 0.173 RESID 141 (K): C 176.120 176.120 178.732 -2.612 RESID 141 (K): CA 55.991 55.991 59.931 -3.940 RESID 141 (K): CB 31.712 31.712 32.264 -0.552 RESID 141 (K): H 7.698 7.698 7.549 0.149 RESID 142 (V): N 120.104 120.104 119.314 0.790 RESID 142 (V): CA 63.230 63.230 65.569 -2.339 RESID 142 (V): H 7.772 7.772 7.494 0.278 RESID 143 (R): C 178.401 178.401 178.842 -0.441 RESID 143 (R): H 7.999 7.999 7.626 0.373 RESID 144 (F): N 120.445 120.445 120.230 0.215 RESID 144 (F): C 177.856 177.856 176.337 1.519 RESID 144 (F): CA 61.438 61.438 60.950 0.488 RESID 144 (F): H 8.395 8.395 8.507 -0.112 RESID 145 (Q): N 124.180 124.180 116.743 7.437 RESID 145 (Q): C 174.844 174.844 177.610 -2.766 RESID 145 (Q): CA 56.414 56.414 58.030 -1.616 RESID 145 (Q): CB 30.721 30.721 29.254 1.467 RESID 145 (Q): H 8.094 8.094 7.773 0.321 RESID 146 (A): N 120.452 120.452 120.426 0.026 RESID 146 (A): C 177.929 177.929 178.213 -0.284 RESID 146 (A): CA 53.483 53.483 53.259 0.224 RESID 146 (A): CB 18.431 18.431 18.811 -0.380 RESID 146 (A): H 7.939 7.939 7.418 0.521 RESID 147 (Q): N 119.388 119.388 119.614 -0.226 RESID 147 (Q): C 176.029 176.029 175.200 0.829 RESID 147 (Q): CA 56.339 56.339 56.511 -0.173 RESID 147 (Q): CB 29.444 29.444 28.197 1.247 RESID 147 (Q): H 8.072 8.072 7.570 0.502 RESID 148 (A): N 125.199 125.199 129.288 -4.089 RESID 148 (A): C 177.766 177.766 177.566 0.200 RESID 148 (A): CA 53.108 53.108 53.330 -0.222 RESID 148 (A): CB 19.151 19.151 19.668 -0.517 RESID 148 (A): H 8.055 8.055 8.296 -0.241 RESID 149 (R): N 120.208 120.208 117.191 3.017 RESID 149 (R): CA 56.414 56.414 54.788 1.627 RESID 149 (R): CB 30.749 30.749 30.300 0.449 RESID 149 (R): H 8.018 8.018 7.960 0.058 RESID 159 (T): C 175.928 175.928 176.717 -0.789 RESID 160 (V): N 118.321 118.321 118.212 0.109 RESID 160 (V): C 177.749 177.749 177.722 0.027 RESID 160 (V): CA 64.126 64.126 65.538 -1.412 RESID 160 (V): CB 31.343 31.343 31.238 0.105 RESID 160 (V): H 8.073 8.073 7.916 0.157 RESID 161 (E): N 122.379 122.379 120.764 1.615 RESID 161 (E): C 178.783 178.783 178.527 0.256 RESID 161 (E): CA 59.550 59.550 59.373 0.177 RESID 161 (E): CB 29.597 29.597 29.527 0.070 RESID 161 (E): H 8.204 8.204 8.621 -0.417 RESID 162 (A): N 122.845 122.845 123.202 -0.357 RESID 162 (A): C 179.948 179.948 179.463 0.485 RESID 162 (A): CA 55.181 55.181 55.057 0.124 RESID 162 (A): CB 18.154 18.154 18.584 -0.430 RESID 162 (A): H 7.786 7.786 8.641 -0.855 RESID 163 (Y): N 118.902 118.902 120.015 -1.113 RESID 163 (Y): C 177.273 177.273 177.732 -0.459 RESID 163 (Y): CA 61.068 61.068 61.795 -0.727 RESID 163 (Y): CB 37.898 37.898 38.749 -0.851 RESID 163 (Y): H 7.922 7.922 8.096 -0.174 RESID 164 (K): N 119.939 119.939 118.817 1.122 RESID 164 (K): C 178.239 178.239 178.908 -0.669 RESID 164 (K): CA 60.309 60.309 59.430 0.879 RESID 164 (K): CB 32.504 32.504 32.575 -0.071 RESID 164 (K): H 8.223 8.223 7.689 0.534 RESID 165 (T): N 115.262 115.262 114.576 0.686 RESID 165 (T): C 175.676 175.676 176.701 -1.025 RESID 165 (T): CA 66.516 66.516 66.554 -0.038 RESID 165 (T): CB 69.367 69.367 68.850 0.517 RESID 165 (T): H 7.745 7.745 7.983 -0.238 RESID 166 (I): N 121.571 121.571 118.604 2.967 RESID 166 (I): C 177.307 177.307 177.306 0.001 RESID 166 (I): CA 64.634 64.634 64.048 0.586 RESID 166 (I): CB 38.896 38.896 36.708 2.188 RESID 166 (I): H 7.540 7.540 7.388 0.152 RESID 167 (A): N 121.983 121.983 123.592 -1.609 RESID 167 (A): C 178.395 178.395 180.180 -1.785 RESID 167 (A): CA 54.656 54.656 54.696 -0.040 RESID 167 (A): CB 18.486 18.486 18.029 0.457 RESID 167 (A): H 8.059 8.059 7.631 0.428 RESID 168 (R): N 116.369 116.369 118.444 -2.075 RESID 168 (R): C 177.307 177.307 178.491 -1.184 RESID 168 (R): CA 58.486 58.486 58.830 -0.344 RESID 168 (R): CB 30.930 30.930 29.911 1.019 RESID 168 (R): H 7.690 7.690 7.825 -0.135 RESID 169 (E): N 118.667 118.667 118.134 0.533 RESID 169 (E): C 177.696 177.696 178.431 -0.735 RESID 169 (E): CA 58.212 58.212 58.309 -0.096 RESID 169 (E): CB 30.357 30.357 30.083 0.274 RESID 169 (E): H 8.045 8.045 7.718 0.327 RESID 170 (E): N 118.202 118.202 117.273 0.929 RESID 170 (E): C 177.878 177.878 176.876 1.002 RESID 170 (E): CA 57.363 57.363 56.755 0.607 RESID 170 (E): CB 31.277 31.277 30.678 0.599 RESID 170 (E): H 8.550 8.550 8.304 0.246 RESID 171 (G): N 108.941 108.941 107.602 1.339 RESID 171 (G): C 174.433 174.433 174.411 0.022 RESID 171 (G): CA 45.193 45.193 44.437 0.756 RESID 171 (G): H 7.881 7.881 7.607 0.274 RESID 172 (I): N 120.842 120.842 121.165 -0.323 RESID 172 (I): C 176.997 176.997 176.868 0.129 RESID 172 (I): CA 63.810 63.810 63.200 0.610 RESID 172 (I): CB 38.516 38.516 37.923 0.593 RESID 172 (I): H 8.550 8.550 8.243 0.307 RESID 173 (R): N 119.480 119.480 119.777 -0.297 RESID 173 (R): C 178.084 178.084 178.430 -0.346 RESID 173 (R): CA 58.711 58.711 58.646 0.065 RESID 173 (R): CB 29.796 29.796 29.183 0.613 RESID 173 (R): H 8.277 8.277 8.327 -0.050 RESID 174 (G): N 106.379 106.379 106.390 -0.011 RESID 174 (G): C 175.210 175.210 176.442 -1.232 RESID 174 (G): CA 46.767 46.767 46.730 0.037 RESID 174 (G): H 7.690 7.690 7.891 -0.201 RESID 175 (L): N 120.664 120.664 121.261 -0.597 RESID 175 (L): C 177.971 177.971 178.959 -0.988 RESID 175 (L): CA 57.104 57.104 57.386 -0.282 RESID 175 (L): CB 42.559 42.559 41.451 1.108 RESID 175 (L): H 7.554 7.554 7.394 0.160 RESID 176 (W): N 117.031 117.031 116.921 0.110 RESID 176 (W): C 176.987 176.987 178.080 -1.093 RESID 176 (W): CA 57.672 57.672 56.593 1.079 RESID 176 (W): CB 29.796 29.796 27.679 2.117 RESID 176 (W): H 7.499 7.499 7.942 -0.443 RESID 177 (K): N 120.567 120.567 119.438 1.129 RESID 177 (K): C 177.152 177.152 177.517 -0.365 RESID 177 (K): CA 57.712 57.712 59.829 -2.117 RESID 177 (K): CB 32.890 32.890 32.084 0.806 RESID 177 (K): H 7.595 7.595 7.360 0.235 RESID 178 (G): N 108.667 108.667 103.662 5.005 RESID 178 (G): C 174.045 174.045 175.441 -1.396 RESID 178 (G): CA 45.893 45.893 45.384 0.509 RESID 178 (G): H 7.881 7.881 7.874 0.007 RESID 179 (T): N 115.080 115.080 119.734 -4.654 RESID 179 (T): C 175.192 175.192 176.671 -1.479 RESID 179 (T): CA 66.521 66.521 66.954 -0.433 RESID 179 (T): CB 70.079 70.079 68.438 1.641 RESID 179 (T): H 7.622 7.622 7.782 -0.160 RESID 180 (S): N 117.754 117.754 116.109 1.645 RESID 180 (S): CA 63.123 63.123 63.427 -0.304 RESID 180 (S): CB 62.045 62.045 61.909 0.136 RESID 180 (S): H 8.195 8.195 7.684 0.511 RESID 182 (N): C 177.348 177.348 177.777 -0.429 RESID 183 (V): N 118.118 118.118 119.595 -1.477 RESID 183 (V): C 176.944 176.944 177.645 -0.701 RESID 183 (V): CA 65.244 65.244 66.449 -1.205 RESID 183 (V): CB 32.508 32.508 31.150 1.358 RESID 183 (V): H 7.861 7.861 7.637 0.224 RESID 184 (A): N 122.284 122.284 121.727 0.557 RESID 184 (A): C 178.317 178.317 179.335 -1.018 RESID 184 (A): CA 55.339 55.339 55.190 0.149 RESID 184 (A): CB 28.230 28.230 18.243 9.987 RESID 184 (A): H 8.097 8.097 7.566 0.531 RESID 185 (R): N 117.321 117.321 119.470 -2.149 RESID 185 (R): C 177.527 177.527 178.185 -0.658 RESID 185 (R): CA 59.543 59.543 59.584 -0.041 RESID 185 (R): CB 29.767 29.767 30.115 -0.348 RESID 185 (R): H 7.611 7.611 7.968 -0.357 RESID 186 (N): N 117.294 117.294 117.788 -0.494 RESID 186 (N): C 176.599 176.599 177.292 -0.693 RESID 186 (N): CA 56.659 56.659 56.291 0.368 RESID 186 (N): CB 39.454 39.454 38.426 1.028 RESID 186 (N): H 8.048 8.048 7.774 0.274 RESID 187 (A): N 121.003 121.003 122.901 -1.898 RESID 187 (A): C 178.713 178.713 179.745 -1.032 RESID 187 (A): CA 55.520 55.520 55.004 0.516 RESID 187 (A): CB 18.097 18.097 18.624 -0.527 RESID 187 (A): H 7.322 7.322 7.559 -0.237 RESID 188 (I): N 119.319 119.319 119.122 0.197 RESID 188 (I): C 176.634 176.634 177.984 -1.350 RESID 188 (I): CA 64.225 64.225 63.697 0.528 RESID 188 (I): CB 37.658 37.658 36.846 0.812 RESID 188 (I): H 7.779 7.779 8.029 -0.250 RESID 189 (V): N 117.265 117.265 121.128 -3.863 RESID 189 (V): C 177.529 177.529 176.972 0.557 RESID 189 (V): CA 65.562 65.562 67.085 -1.523 RESID 189 (V): CB 31.407 31.407 31.953 -0.546 RESID 189 (V): H 7.776 7.776 8.094 -0.318 RESID 190 (N): N 118.736 118.736 118.239 0.497 RESID 190 (N): C 176.476 176.476 177.348 -0.872 RESID 190 (N): CA 56.813 56.813 55.759 1.054 RESID 190 (N): CB 38.268 38.268 37.243 1.025 RESID 190 (N): H 7.800 7.800 7.804 -0.004 RESID 191 (C): N 120.152 120.152 119.532 0.620 RESID 191 (C): C 175.831 175.831 176.916 -1.085 RESID 191 (C): CA 60.293 60.293 64.608 -4.315 RESID 191 (C): CB 41.566 41.566 26.946 14.620 RESID 191 (C): H 7.784 7.784 7.886 -0.102 RESID 192 (A): N 121.963 121.963 121.894 0.069 RESID 192 (A): C 178.395 178.395 179.026 -0.631 RESID 192 (A): CA 55.280 55.280 55.132 0.148 RESID 192 (A): CB 18.008 18.008 17.957 0.051 RESID 192 (A): H 8.141 8.141 8.654 -0.513 RESID 193 (E): N 114.548 114.548 119.861 -5.313 RESID 193 (E): C 176.764 176.764 178.889 -2.125 RESID 193 (E): CA 58.262 58.262 59.399 -1.137 RESID 193 (E): CB 29.342 29.342 29.520 -0.178 RESID 193 (E): H 7.595 7.595 8.265 -0.670 RESID 194 (L): N 117.659 117.659 118.176 -0.517 RESID 194 (L): C 176.904 176.904 179.275 -2.371 RESID 194 (L): CA 55.695 55.695 57.730 -2.035 RESID 194 (L): CB 41.655 41.655 41.747 -0.092 RESID 194 (L): H 7.459 7.459 8.142 -0.683 RESID 195 (V): N 117.842 117.842 116.174 1.668 RESID 195 (V): C 177.150 177.150 177.933 -0.783 RESID 195 (V): CA 64.054 64.054 65.810 -1.756 RESID 195 (V): CB 31.079 31.079 30.791 0.288 RESID 195 (V): H 7.363 7.363 7.335 0.028 RESID 196 (T): N 122.439 122.439 117.389 5.050 RESID 196 (T): C 175.055 175.055 176.553 -1.498 RESID 196 (T): CA 65.500 65.500 66.822 -1.322 RESID 196 (T): CB 69.490 69.490 68.671 0.819 RESID 196 (T): H 7.940 7.940 7.866 0.074 RESID 197 (Y): N 122.430 122.430 122.329 0.101 RESID 197 (Y): C 177.152 177.152 176.997 0.155 RESID 197 (Y): CA 61.892 61.892 61.909 -0.017 RESID 197 (Y): CB 38.085 38.085 38.407 -0.323 RESID 197 (Y): H 9.123 9.123 8.770 0.353 RESID 198 (D): N 117.750 117.750 118.914 -1.164 RESID 198 (D): C 177.696 177.696 178.288 -0.592 RESID 198 (D): CA 57.822 57.822 58.335 -0.513 RESID 198 (D): CB 40.500 40.500 40.417 0.083 RESID 198 (D): H 8.263 8.263 7.885 0.378 RESID 199 (L): N 120.698 120.698 119.025 1.673 RESID 199 (L): C 180.104 180.104 178.915 1.189 RESID 199 (L): CA 58.092 58.092 57.427 0.665 RESID 199 (L): CB 42.559 42.559 41.023 1.536 RESID 199 (L): H 7.636 7.636 7.433 0.203 RESID 200 (I): N 121.136 121.136 118.779 2.357 RESID 200 (I): C 176.919 176.919 177.571 -0.652 RESID 200 (I): CA 65.482 65.482 63.279 2.203 RESID 200 (I): CB 37.949 37.949 36.516 1.433 RESID 200 (I): H 7.718 7.718 7.259 0.459 RESID 201 (K): N 120.587 120.587 118.243 2.344 RESID 201 (K): C 177.696 177.696 178.933 -1.237 RESID 201 (K): CA 60.683 60.683 59.180 1.503 RESID 201 (K): CB 31.809 31.809 32.341 -0.532 RESID 201 (K): H 8.291 8.291 7.650 0.641 RESID 202 (D): N 117.936 117.936 116.876 1.060 RESID 202 (D): C 178.395 178.395 177.008 1.387 RESID 202 (D): CA 57.672 57.672 56.092 1.580 RESID 202 (D): CB 41.355 41.355 41.089 0.266 RESID 202 (D): H 8.182 8.182 7.814 0.368 RESID 203 (T): N 115.914 115.914 115.575 0.339 RESID 203 (T): CA 61.190 61.190 62.289 -1.099 RESID 203 (T): CB 68.738 68.738 69.602 -0.864 RESID 203 (T): H 7.690 7.690 7.683 0.007 RESID 204 (L): C 176.047 176.047 175.403 0.644 RESID 204 (L): H 8.051 8.051 8.863 -0.812 RESID 205 (L): N 118.768 118.768 118.015 0.753 RESID 205 (L): C 179.871 179.871 177.386 2.485 RESID 205 (L): CA 55.867 55.867 54.460 1.407 RESID 205 (L): CB 41.887 41.887 41.115 0.771 RESID 205 (L): H 7.977 7.977 7.825 0.152 RESID 206 (K): N 119.775 119.775 118.996 0.779 RESID 206 (K): C 177.318 177.318 176.527 0.791 RESID 206 (K): CA 58.461 58.461 58.023 0.438 RESID 206 (K): CB 32.734 32.734 32.597 0.137 RESID 206 (K): H 7.677 7.677 7.989 -0.312 RESID 207 (A): N 120.757 120.757 120.304 0.453 RESID 207 (A): C 176.531 176.531 176.181 0.350 RESID 207 (A): CA 53.083 53.083 51.786 1.297 RESID 207 (A): CB 18.960 18.960 18.765 0.195 RESID 207 (A): H 7.565 7.565 7.475 0.090 RESID 208 (N): N 115.463 115.463 116.054 -0.591 RESID 208 (N): C 174.822 174.822 175.934 -1.112 RESID 208 (N): CA 54.351 54.351 53.920 0.431 RESID 208 (N): CB 38.160 38.160 37.855 0.305 RESID 208 (N): H 7.936 7.936 7.998 -0.062 RESID 212 (D): C 174.735 174.735 174.344 0.391 RESID 213 (D): N 116.363 116.363 118.145 -1.782 RESID 213 (D): C 175.553 175.553 177.070 -1.517 RESID 213 (D): CA 54.890 54.890 54.455 0.435 RESID 213 (D): CB 38.846 38.846 39.544 -0.698 RESID 213 (D): H 8.129 8.129 8.304 -0.175 RESID 214 (L): N 119.486 119.486 119.760 -0.274 RESID 214 (L): CA 59.766 59.766 58.264 1.502 RESID 214 (L): CB 39.579 39.579 40.089 -0.510 RESID 214 (L): H 7.821 7.821 8.243 -0.422 RESID 215 (P): C 177.971 177.971 178.647 -0.676 RESID 215 (P): CA 65.938 65.938 65.784 0.154 RESID 215 (P): CB 30.006 30.006 30.969 -0.963 RESID 216 (C): N 114.211 114.211 114.935 -0.724 RESID 216 (C): C 176.142 176.142 177.190 -1.048 RESID 216 (C): CA 58.773 58.773 62.752 -3.978 RESID 216 (C): CB 40.906 40.906 26.569 14.337 RESID 216 (C): H 8.269 8.269 8.587 -0.318 RESID 217 (H): N 120.491 120.491 120.340 0.151 RESID 217 (H): C 176.747 176.747 177.116 -0.369 RESID 217 (H): CA 57.198 57.198 58.874 -1.676 RESID 217 (H): CB 29.886 29.886 29.191 0.695 RESID 217 (H): H 7.301 7.301 7.637 -0.336 RESID 218 (F): N 120.501 120.501 118.302 2.199 RESID 218 (F): C 176.187 176.187 177.667 -1.480 RESID 218 (F): CA 59.045 59.045 61.901 -2.856 RESID 218 (F): CB 38.901 38.901 38.572 0.329 RESID 218 (F): H 8.127 8.127 7.867 0.260 RESID 219 (T): N 112.682 112.682 113.682 -1.000 RESID 219 (T): C 175.997 175.997 177.045 -1.048 RESID 219 (T): CA 64.319 64.319 66.177 -1.858 RESID 219 (T): CB 63.282 63.282 68.728 -5.446 RESID 219 (T): H 7.977 7.977 7.835 0.142 RESID 220 (S): N 117.589 117.589 117.098 0.491 RESID 220 (S): C 175.055 175.055 176.597 -1.542 RESID 220 (S): CA 61.344 61.344 62.036 -0.692 RESID 220 (S): CB 63.440 63.440 62.867 0.573 RESID 220 (S): H 8.004 8.004 7.696 0.308 RESID 221 (A): N 123.860 123.860 124.614 -0.754 RESID 221 (A): C 177.618 177.618 179.067 -1.449 RESID 221 (A): CA 53.932 53.932 54.991 -1.059 RESID 221 (A): CB 18.891 18.891 18.246 0.645 RESID 221 (A): H 7.704 7.704 7.617 0.087 RESID 222 (F): N 116.073 116.073 119.733 -3.660 RESID 222 (F): C 176.142 176.142 177.522 -1.380 RESID 222 (F): CA 58.271 58.271 61.246 -2.975 RESID 222 (F): CB 39.554 39.554 39.126 0.428 RESID 222 (F): H 7.718 7.718 8.335 -0.617 RESID 223 (G): N 108.578 108.578 106.584 1.994 RESID 223 (G): C 173.889 173.889 175.468 -1.579 RESID 223 (G): CA 45.993 45.993 47.048 -1.055 RESID 223 (G): H 7.909 7.909 8.203 -0.294 RESID 224 (A): N 123.322 123.322 125.060 -1.738 RESID 224 (A): C 178.550 178.550 179.727 -1.177 RESID 224 (A): CA 53.608 53.608 54.531 -0.923 RESID 224 (A): CB 19.069 19.069 18.410 0.659 RESID 224 (A): H 8.018 8.018 7.973 0.045 RESID 225 (G): N 107.935 107.935 107.599 0.336 RESID 225 (G): C 175.389 175.389 175.502 -0.113 RESID 225 (G): CA 46.967 46.967 46.752 0.215 RESID 225 (G): H 8.304 8.304 8.640 -0.336 RESID 226 (F): N 122.440 122.440 123.250 -0.810 RESID 226 (F): C 176.998 176.998 177.063 -0.065 RESID 226 (F): CA 60.673 60.673 59.974 0.699 RESID 226 (F): CB 38.319 38.319 39.525 -1.206 RESID 226 (F): H 8.045 8.045 8.242 -0.198 RESID 227 (C): N 116.562 116.562 118.180 -1.618 RESID 227 (C): CA 61.301 61.301 62.031 -0.730 RESID 227 (C): CB 41.286 41.286 26.784 14.502 RESID 227 (C): H 8.016 8.016 8.084 -0.068 RESID 228 (T): C 176.437 176.437 176.474 -0.037 RESID 228 (T): H 8.410 8.410 8.374 0.036 RESID 229 (T): N 115.234 115.234 116.394 -1.160 RESID 229 (T): C 176.749 176.749 176.435 0.314 RESID 229 (T): CA 65.980 65.980 66.406 -0.426 RESID 229 (T): CB 67.443 67.443 68.327 -0.884 RESID 229 (T): H 8.188 8.188 8.090 0.098 RESID 230 (V): N 120.723 120.723 118.912 1.811 RESID 230 (V): C 177.983 177.983 177.022 0.961 RESID 230 (V): CA 66.832 66.832 65.220 1.612 RESID 230 (V): CB 31.168 31.168 31.236 -0.068 RESID 230 (V): H 8.027 8.027 7.161 0.866 RESID 231 (I): N 120.541 120.541 119.176 1.365 RESID 231 (I): C 177.368 177.368 177.594 -0.226 RESID 231 (I): CA 65.575 65.575 63.517 2.058 RESID 231 (I): CB 37.722 37.722 37.956 -0.234 RESID 231 (I): H 8.458 8.458 7.200 1.258 RESID 232 (A): N 122.766 122.766 121.185 1.581 RESID 232 (A): C 178.847 178.847 179.826 -0.979 RESID 232 (A): CA 55.252 55.252 54.934 0.318 RESID 232 (A): CB 17.874 17.874 18.061 -0.187 RESID 232 (A): H 8.589 8.589 7.795 0.794 RESID 233 (S): N 113.387 113.387 114.631 -1.244 RESID 233 (S): CA 62.348 62.348 63.516 -1.168 RESID 233 (S): CB 61.630 61.630 61.628 0.002 RESID 233 (S): H 8.218 8.218 8.275 -0.057 RESID 234 (P): C 178.221 178.221 178.366 -0.145 RESID 235 (V): N 116.087 116.087 117.572 -1.485 RESID 235 (V): C 177.089 177.089 177.871 -0.782 RESID 235 (V): CA 65.072 65.072 66.669 -1.597 RESID 235 (V): CB 31.084 31.084 31.453 -0.368 RESID 235 (V): H 8.142 8.142 7.406 0.736 RESID 236 (D): N 121.556 121.556 119.878 1.678 RESID 236 (D): C 177.422 177.422 178.398 -0.976 RESID 236 (D): CA 57.135 57.135 56.971 0.164 RESID 236 (D): CB 40.065 40.065 40.643 -0.578 RESID 236 (D): H 7.932 7.932 7.301 0.631 RESID 237 (V): N 117.233 117.233 119.783 -2.550 RESID 237 (V): CA 64.977 64.977 66.264 -1.287 RESID 237 (V): CB 31.013 31.013 31.663 -0.650 RESID 237 (V): H 7.710 7.710 7.962 -0.252 RESID 238 (V): C 177.584 177.584 177.220 0.364 RESID 238 (V): H 7.607 7.607 7.739 -0.132 RESID 239 (K): N 120.095 120.095 117.958 2.137 RESID 239 (K): C 178.678 178.678 178.185 0.493 RESID 239 (K): CA 58.483 58.483 59.302 -0.819 RESID 239 (K): CB 31.863 31.863 32.083 -0.220 RESID 239 (K): H 7.761 7.761 7.464 0.297 RESID 240 (T): N 115.247 115.247 112.737 2.510 RESID 240 (T): C 175.093 175.093 175.605 -0.512 RESID 240 (T): CA 66.458 66.458 64.021 2.437 RESID 240 (T): CB 68.011 68.011 69.254 -1.243 RESID 240 (T): H 7.761 7.761 7.425 0.336 RESID 241 (R): N 119.633 119.633 120.819 -1.186 RESID 241 (R): CA 57.133 57.133 58.120 -0.987 RESID 241 (R): CB 31.218 31.218 30.381 0.837 RESID 241 (R): H 7.383 7.383 7.428 -0.045 RESID 242 (Y): C 174.956 174.956 175.733 -0.777 RESID 242 (Y): H 8.699 8.699 8.394 0.305 RESID 243 (M): N 118.458 118.458 121.745 -3.287 RESID 243 (M): C 175.676 175.676 174.662 1.014 RESID 243 (M): CA 54.417 54.417 56.848 -2.431 RESID 243 (M): H 7.442 7.442 8.482 -1.040 RESID 244 (N): N 116.369 116.369 118.329 -1.960 RESID 244 (N): C 174.919 174.919 174.608 0.311 RESID 244 (N): CA 59.470 59.470 52.729 6.741 RESID 244 (N): CB 39.079 39.079 39.209 -0.130 RESID 244 (N): H 7.772 7.772 8.469 -0.697 RESID 245 (S): N 114.568 114.568 114.138 0.430 RESID 245 (S): C 175.695 175.695 174.006 1.689 RESID 245 (S): CA 53.852 53.852 58.247 -4.395 RESID 245 (S): CB 61.232 61.232 62.550 -1.318 RESID 245 (S): H 8.475 8.475 8.280 0.195 RESID 246 (A): N 127.283 127.283 125.411 1.872 RESID 246 (A): C 177.128 177.128 176.918 0.210 RESID 246 (A): CA 56.803 56.803 51.948 4.855 RESID 246 (A): CB 18.901 18.901 19.648 -0.747 RESID 246 (A): H 7.929 7.929 7.912 0.017 RESID 247 (L): N 118.112 118.112 118.375 -0.263 RESID 247 (L): C 176.723 176.723 176.263 0.460 RESID 247 (L): CA 54.156 54.156 54.442 -0.286 RESID 247 (L): CB 41.215 41.215 40.618 0.597 RESID 247 (L): H 7.922 7.922 8.421 -0.499 RESID 248 (G): N 107.203 107.203 106.565 0.638 RESID 248 (G): CA 44.558 44.558 44.612 -0.054 RESID 248 (G): H 8.318 8.318 8.040 0.278 RESID 250 (Y): C 175.942 175.942 173.938 2.004 RESID 250 (Y): H 8.134 8.134 8.589 -0.455 RESID 251 (H): N 123.281 123.281 120.867 2.414 RESID 251 (H): C 174.531 174.531 175.295 -0.764 RESID 251 (H): CA 58.931 58.931 57.852 1.079 RESID 251 (H): CB 29.525 29.525 30.301 -0.776 RESID 251 (H): H 8.184 8.184 8.510 -0.326 RESID 252 (S): N 110.038 110.038 110.706 -0.668 RESID 252 (S): C 174.429 174.429 174.089 0.340 RESID 252 (S): CA 57.452 57.452 57.377 0.075 RESID 252 (S): CB 65.022 65.022 65.260 -0.238 RESID 252 (S): H 8.010 8.010 7.722 0.288 RESID 253 (A): N 123.034 123.034 123.330 -0.296 RESID 253 (A): C 179.249 179.249 179.831 -0.582 RESID 253 (A): CA 54.981 54.981 54.817 0.164 RESID 253 (A): CB 19.069 19.069 18.206 0.863 RESID 253 (A): H 8.034 8.034 8.704 -0.670 RESID 254 (G): N 106.379 106.379 105.585 0.794 RESID 254 (G): C 174.433 174.433 175.834 -1.401 RESID 254 (G): CA 47.615 47.615 47.097 0.518 RESID 254 (G): H 8.427 8.427 8.709 -0.282 RESID 255 (H): N 121.119 121.119 121.242 -0.123 RESID 255 (H): C 178.084 178.084 176.967 1.117 RESID 255 (H): CA 60.144 60.144 59.413 0.731 RESID 255 (H): CB 33.073 33.073 29.901 3.172 RESID 255 (H): H 8.304 8.304 7.810 0.494 RESID 256 (C): N 117.946 117.946 118.528 -0.582 RESID 256 (C): C 175.453 175.453 176.275 -0.822 RESID 256 (C): CA 58.668 58.668 62.184 -3.516 RESID 256 (C): CB 41.434 41.434 26.008 15.426 RESID 256 (C): H 8.168 8.168 7.892 0.276 RESID 257 (A): N 123.138 123.138 123.092 0.046 RESID 257 (A): C 179.489 179.489 179.474 0.015 RESID 257 (A): CA 54.589 54.589 55.278 -0.689 RESID 257 (A): CB 17.675 17.675 17.997 -0.322 RESID 257 (A): H 7.932 7.932 7.435 0.497 RESID 258 (L): N 119.779 119.779 118.855 0.924 RESID 258 (L): C 178.234 178.234 178.671 -0.437 RESID 258 (L): CA 56.967 56.967 57.858 -0.891 RESID 258 (L): CB 41.067 41.067 41.824 -0.757 RESID 258 (L): H 7.681 7.681 7.876 -0.195 RESID 259 (T): N 114.552 114.552 116.150 -1.598 RESID 259 (T): C 176.244 176.244 176.520 -0.276 RESID 259 (T): CA 66.511 66.511 67.080 -0.569 RESID 259 (T): CB 67.274 67.274 68.430 -1.156 RESID 259 (T): H 7.855 7.855 8.272 -0.417 RESID 260 (M): N 118.862 118.862 121.865 -3.003 RESID 260 (M): C 177.094 177.094 177.308 -0.214 RESID 260 (M): CA 58.532 58.532 57.962 0.570 RESID 260 (M): CB 32.288 32.288 32.040 0.248 RESID 260 (M): H 8.296 8.296 8.388 -0.092 RESID 261 (L): N 116.839 116.839 118.407 -1.568 RESID 261 (L): C 178.162 178.162 178.883 -0.721 RESID 261 (L): CA 58.167 58.167 56.844 1.323 RESID 261 (L): CB 42.202 42.202 42.034 0.168 RESID 261 (L): H 8.053 8.053 7.550 0.503 RESID 262 (R): N 116.821 116.821 117.815 -0.994 RESID 262 (R): CA 58.761 58.761 58.286 0.475 RESID 262 (R): CB 30.825 30.825 30.386 0.439 RESID 262 (R): H 7.827 7.827 7.630 0.197 RESID 266 (P): C 177.152 177.152 178.093 -0.941 RESID 266 (P): CA 65.152 65.152 64.339 0.813 RESID 267 (R): N 117.739 117.739 118.007 -0.268 RESID 267 (R): C 177.463 177.463 178.030 -0.567 RESID 267 (R): CA 59.335 59.335 58.681 0.654 RESID 267 (R): CB 30.185 30.185 29.729 0.456 RESID 267 (R): H 8.072 8.072 8.218 -0.146 RESID 268 (A): N 121.709 121.709 122.031 -0.322 RESID 268 (A): C 179.251 179.251 179.729 -0.478 RESID 268 (A): CA 54.631 54.631 54.898 -0.267 RESID 268 (A): CB 18.683 18.683 18.342 0.341 RESID 268 (A): H 7.963 7.963 8.035 -0.072 RESID 269 (F): N 117.096 117.096 117.991 -0.895 RESID 269 (F): C 175.987 175.987 177.671 -1.684 RESID 269 (F): CA 61.037 61.037 61.145 -0.108 RESID 269 (F): CB 38.637 38.637 38.835 -0.198 RESID 269 (F): H 7.832 7.832 7.987 -0.155 RESID 270 (Y): N 118.496 118.496 117.769 0.727 RESID 270 (Y): C 176.250 176.250 176.510 -0.260 RESID 270 (Y): CA 60.116 60.116 60.351 -0.235 RESID 270 (Y): CB 38.882 38.882 38.586 0.296 RESID 270 (Y): H 7.813 7.813 7.725 0.088 RESID 271 (K): N 119.458 119.458 118.649 0.809 RESID 271 (K): C 177.696 177.696 176.369 1.327 RESID 271 (K): CA 57.192 57.192 56.065 1.127 RESID 271 (K): CB 32.734 32.734 33.268 -0.534 RESID 271 (K): H 7.864 7.864 7.955 -0.091 RESID 272 (G): N 106.217 106.217 107.121 -0.904 RESID 272 (G): C 173.967 173.967 172.983 0.984 RESID 272 (G): CA 46.117 46.117 45.482 0.635 RESID 272 (G): H 7.622 7.622 8.175 -0.553 RESID 273 (F): N 118.847 118.847 114.353 4.494 RESID 273 (F): C 175.055 175.055 175.634 -0.579 RESID 273 (F): CA 57.721 57.721 56.830 0.892 RESID 273 (F): CB 40.183 40.183 38.895 1.288 RESID 273 (F): H 7.677 7.677 7.364 0.313 RESID 277 (F): C 176.602 176.602 177.093 -0.491 RESID 277 (F): CA 61.838 61.838 61.405 0.433 RESID 277 (F): CB 39.537 39.537 39.344 0.193 RESID 277 (F): H 7.695 7.695 8.347 -0.652 RESID 278 (L): N 118.465 118.465 119.786 -1.321 RESID 278 (L): C 177.152 177.152 179.033 -1.881 RESID 278 (L): CA 56.115 56.115 57.808 -1.693 RESID 278 (L): CB 42.398 42.398 41.093 1.304 RESID 278 (L): H 8.104 8.104 7.965 0.139 RESID 279 (R): N 118.749 118.749 118.718 0.031 RESID 279 (R): C 176.608 176.608 178.998 -2.390 RESID 279 (R): CA 56.938 56.938 59.438 -2.500 RESID 279 (R): CB 30.659 30.659 29.882 0.777 RESID 279 (R): H 7.472 7.472 7.897 -0.425 RESID 280 (L): N 120.305 120.305 119.908 0.397 RESID 280 (L): C 177.540 177.540 179.396 -1.856 RESID 280 (L): CA 57.094 57.094 58.007 -0.913 RESID 280 (L): CB 42.027 42.027 40.733 1.294 RESID 280 (L): H 7.690 7.690 8.374 -0.684 RESID 281 (G): N 106.837 106.837 106.808 0.029 RESID 281 (G): C 174.045 174.045 176.266 -2.221 RESID 281 (G): CA 46.967 46.967 46.983 -0.016 RESID 281 (G): H 7.881 7.881 7.755 0.126 RESID 282 (S): N 115.531 115.531 118.096 -2.565 RESID 282 (S): C 174.123 174.123 176.354 -2.231 RESID 282 (S): CA 58.796 58.796 61.371 -2.575 RESID 282 (S): CB 58.975 58.975 63.113 -4.138 RESID 282 (S): H 7.813 7.813 7.527 0.286 RESID 283 (W): N 122.851 122.851 122.913 -0.062 RESID 283 (W): C 176.142 176.142 177.408 -1.266 RESID 283 (W): CA 59.221 59.221 60.692 -1.471 RESID 283 (W): CB 30.446 30.446 29.589 0.857 RESID 283 (W): H 8.186 8.186 8.651 -0.465 RESID 284 (N): N 118.459 118.459 118.746 -0.287 RESID 284 (N): CA 55.325 55.325 56.533 -1.208 RESID 284 (N): CB 39.504 39.504 38.410 1.095 RESID 284 (N): H 8.127 8.127 7.894 0.233 RESID 285 (V): C 177.263 177.263 177.444 -0.181 RESID 285 (V): H 7.854 7.854 7.554 0.300 RESID 286 (V): N 119.883 119.883 117.364 2.519 RESID 286 (V): C 177.072 177.072 177.155 -0.083 RESID 286 (V): CA 64.717 64.717 66.075 -1.358 RESID 286 (V): CB 29.553 29.553 31.281 -1.728 RESID 286 (V): H 7.483 7.483 7.184 0.299 RESID 287 (M): N 120.401 120.401 118.457 1.944 RESID 287 (M): C 177.594 177.594 178.784 -1.190 RESID 287 (M): CA 57.654 57.654 58.884 -1.230 RESID 287 (M): CB 31.592 31.592 32.243 -0.651 RESID 287 (M): H 8.118 8.118 7.304 0.814 RESID 288 (F): N 122.234 122.234 118.620 3.614 RESID 288 (F): C 176.498 176.498 177.862 -1.364 RESID 288 (F): CA 61.766 61.766 62.374 -0.608 RESID 288 (F): CB 39.031 39.031 38.637 0.394 RESID 288 (F): H 7.878 7.878 7.869 0.009 RESID 289 (V): N 118.907 118.907 116.398 2.509 RESID 289 (V): CA 64.566 64.566 66.787 -2.221 RESID 289 (V): CB 30.544 30.544 31.500 -0.956 RESID 289 (V): H 7.913 7.913 7.602 0.311 RESID 290 (T): C 175.376 175.376 176.414 -1.038 RESID 290 (T): H 8.095 8.095 7.527 0.568 RESID 291 (Y): N 118.029 118.029 122.653 -4.624 RESID 291 (Y): C 176.919 176.919 176.826 0.093 RESID 291 (Y): CA 61.717 61.717 61.654 0.063 RESID 291 (Y): CB 38.020 38.020 38.403 -0.383 RESID 291 (Y): H 7.986 7.986 7.649 0.337 RESID 292 (E): N 118.005 118.005 118.051 -0.046 RESID 292 (E): C 176.686 176.686 178.655 -1.969 RESID 292 (E): CA 60.084 60.084 59.507 0.577 RESID 292 (E): CB 29.443 29.443 28.535 0.908 RESID 292 (E): H 8.359 8.359 8.210 0.149 RESID 293 (Q): N 118.746 118.746 119.624 -0.878 RESID 293 (Q): C 176.210 176.210 177.606 -1.396 RESID 293 (Q): CA 58.986 58.986 58.504 0.482 RESID 293 (Q): CB 28.784 28.784 28.393 0.391 RESID 293 (Q): H 7.704 7.704 7.629 0.075 RESID 294 (L): N 120.970 120.970 117.900 3.070 RESID 294 (L): C 178.084 178.084 178.538 -0.454 RESID 294 (L): CA 58.741 58.741 56.984 1.756 RESID 294 (L): CB 41.451 41.451 41.458 -0.007 RESID 294 (L): H 7.995 7.995 7.344 0.651 RESID 295 (K): N 117.756 117.756 117.008 0.748 RESID 295 (K): CA 59.048 59.048 58.471 0.577 RESID 295 (K): CB 31.871 31.871 32.937 -1.066 RESID 295 (K): H 7.731 7.731 7.564 0.167 RESID 296 (R): H 7.895 7.895 7.990 -0.095 RESID 297 (A): C 176.488 176.488 175.861 0.627 RESID 297 (A): H 8.223 8.223 8.213 0.010 RESID 298 (L): N 117.376 117.376 121.334 -3.958 RESID 298 (L): C 178.628 178.628 177.298 1.330 RESID 298 (L): CA 58.217 58.217 55.282 2.936 RESID 298 (L): CB 41.905 41.905 41.026 0.879 RESID 298 (L): H 7.947 7.947 8.465 -0.518 RESID 299 (M): N 127.376 127.376 127.641 -0.265 RESID 299 (M): C 178.472 178.472 174.835 3.637 RESID 299 (M): CA 58.461 58.461 55.090 3.371 RESID 299 (M): CB 32.110 32.110 31.302 0.808 RESID 299 (M): H 8.182 8.182 8.732 -0.550 RESID 300 (A): N 121.854 121.854 124.055 -2.201 RESID 300 (A): C 180.197 180.197 176.046 4.151 RESID 300 (A): CA 55.617 55.617 52.383 3.234 RESID 300 (A): CB 18.215 18.215 19.895 -1.680 RESID 300 (A): H 7.841 7.841 7.735 0.106 RESID 301 (A): N 121.224 121.224 128.753 -7.529 RESID 301 (A): C 178.939 178.939 178.511 0.428 RESID 301 (A): CA 55.186 55.186 54.201 0.985 RESID 301 (A): CB 18.735 18.735 19.125 -0.390 RESID 301 (A): H 7.872 7.872 8.714 -0.842 RESID 302 (Y): N 118.183 118.183 119.810 -1.627 RESID 302 (Y): C 176.841 176.841 177.713 -0.872 RESID 302 (Y): CA 60.868 60.868 61.393 -0.525 RESID 302 (Y): CB 39.344 39.344 38.106 1.238 RESID 302 (Y): H 8.100 8.100 8.477 -0.377 RESID 303 (Q): N 117.243 117.243 118.634 -1.391 RESID 303 (Q): C 176.997 176.997 178.219 -1.222 RESID 303 (Q): CA 58.787 58.787 59.109 -0.322 RESID 303 (Q): CB 29.216 29.216 28.077 1.139 RESID 303 (Q): H 8.059 8.059 8.648 -0.589 RESID 304 (S): N 114.721 114.721 115.478 -0.757 RESID 304 (S): C 174.511 174.511 176.508 -1.997 RESID 304 (S): CA 59.720 59.720 61.052 -1.332 RESID 304 (S): CB 63.896 63.896 63.299 0.597 RESID 304 (S): H 7.718 7.718 7.862 -0.144 RESID 305 (R): N 121.401 121.401 119.659 1.742 RESID 305 (R): C 175.521 175.521 178.013 -2.492 RESID 305 (R): CA 59.639 59.639 58.107 1.532 RESID 305 (R): CB 30.568 30.568 29.959 0.609 RESID 305 (R): H 7.609 7.609 8.101 -0.492 RESID 306 (E): N 120.090 120.090 118.075 2.015 RESID 306 (E): C 177.648 177.648 178.850 -1.202 RESID 306 (E): CA 59.624 59.624 58.743 0.881 RESID 306 (E): CB 30.362 30.362 29.649 0.713 RESID 306 (E): H 7.909 7.909 7.748 0.161 RESID 307 (A): N 121.234 121.234 124.241 -3.007 RESID 307 (A): C 176.014 176.014 177.016 -1.002 RESID 307 (A): CA 56.844 56.844 55.328 1.516 RESID 307 (A): CB 17.735 17.735 16.819 0.916 RESID 307 (A): H 7.760 7.760 7.708 0.052 N HA C CA CB H RESID 16 (K): 1.448 ----- -1.772 0.740 0.194 -0.636 RESID 17 (F): -2.332 ----- -1.313 -0.766 0.987 -0.236 RESID 18 (L): 2.832 ----- -1.549 -1.552 2.139 -0.113 RESID 19 (G): -0.004 ----- -0.555 -1.482 ----- -0.168 RESID 20 (A): 0.364 ----- -0.012 0.110 0.865 0.363 RESID 21 (G): 1.103 ----- -0.580 -0.600 ----- 0.454 RESID 22 (T): 4.356 ----- -0.499 0.585 0.304 -0.433 RESID 23 (A): -1.809 ----- -0.352 0.416 0.089 0.737 RESID 24 (A): -0.899 ----- 0.129 0.015 0.162 -0.577 RESID 25 (C): -0.977 ----- -0.230 -3.695 14.349 0.212 RESID 26 (I): -1.655 ----- 0.102 0.742 0.041 0.259 RESID 27 (A): -0.294 ----- -0.228 0.214 0.248 -0.028 RESID 28 (D): -1.495 ----- -0.574 0.087 -0.226 0.063 RESID 29 (L): -1.572 ----- -0.128 -1.232 0.957 0.369 RESID 30 (I): -2.256 ----- 0.899 -1.092 0.426 0.396 RESID 31 (T): 3.293 ----- -1.760 -0.027 -0.060 0.675 RESID 32 (F): -0.909 ----- ----- -5.562 2.245 -0.908 RESID 33 (P): ----- ----- -0.015 -2.483 3.897 ----- RESID 34 (L): 6.842 ----- -2.251 -1.809 1.742 1.382 RESID 35 (D): 3.103 ----- -0.619 -2.960 0.188 0.620 RESID 36 (T): 3.621 ----- 0.876 -0.780 0.412 0.272 RESID 37 (A): 1.045 ----- -0.132 0.301 0.180 0.304 RESID 38 (K): -0.526 ----- -0.314 0.042 0.895 0.241 RESID 39 (V): 0.352 ----- 0.448 0.109 2.904 0.171 RESID 40 (R): 1.785 ----- -0.396 1.803 -0.252 0.392 RESID 41 (L): -1.601 ----- ----- -1.331 0.549 -0.159 RESID 49 (G): ----- ----- 0.022 ----- ----- ----- RESID 50 (L): 2.084 ----- 0.487 -0.442 0.189 0.057 RESID 51 (V): -0.408 ----- 0.927 0.304 -0.981 -0.144 RESID 52 (R): 4.735 ----- ----- 0.780 -0.753 0.130 RESID 53 (T): ----- ----- 0.759 ----- ----- 0.521 RESID 54 (A): -1.844 ----- -1.441 -1.157 -0.299 0.081 RESID 55 (A): -11.497 ----- 1.243 0.189 -0.581 -1.342 RESID 56 (S): 11.696 ----- 1.110 2.114 0.912 0.378 RESID 57 (A): -3.139 ----- ----- 0.083 -0.228 0.169 RESID 59 (Y): ----- ----- 0.811 ----- ----- ----- RESID 60 (R): 5.297 ----- 2.550 2.954 -1.414 0.110 RESID 61 (G): -2.467 ----- 0.474 1.008 ----- -0.003 RESID 62 (V): -2.594 ----- -0.590 1.918 0.736 -0.405 RESID 63 (L): -0.364 ----- 0.091 0.873 0.296 -0.014 RESID 64 (G): 1.498 ----- 0.450 0.704 ----- 0.415 RESID 65 (T): 3.401 ----- -0.122 1.726 0.281 0.443 RESID 66 (I): 0.869 ----- -0.148 0.548 0.342 0.494 RESID 67 (L): -0.077 ----- 0.085 0.032 0.531 0.758 RESID 68 (T): 0.359 ----- 0.177 0.396 0.678 0.779 RESID 69 (M): 1.649 ----- -0.659 0.445 0.367 0.356 RESID 70 (V): 2.344 ----- -1.812 1.274 -0.227 0.313 RESID 71 (R): -0.476 ----- -0.698 1.067 1.040 0.168 RESID 72 (T): -3.407 ----- -0.422 -1.231 1.208 -0.001 RESID 73 (E): 1.964 ----- 1.727 0.616 -0.554 -0.015 RESID 74 (G): 2.323 ----- ----- 0.993 ----- 0.370 RESID 75 (P): ----- ----- -1.376 1.340 -0.086 ----- RESID 76 (R): 0.482 ----- 0.515 1.602 -0.160 -0.154 RESID 77 (S): 1.909 ----- 0.794 0.571 -0.848 -0.046 RESID 78 (L): 0.542 ----- -0.158 0.732 -0.169 -0.198 RESID 79 (Y): 5.359 ----- 1.069 1.892 0.194 0.256 RESID 80 (N): 0.906 ----- 3.055 0.390 -2.415 1.031 RESID 81 (G): -0.950 ----- 0.035 0.811 ----- -0.530 RESID 82 (L): 2.453 ----- -0.067 1.022 0.783 -0.109 RESID 83 (V): 0.239 ----- 0.516 -1.133 0.572 0.037 RESID 84 (A): -0.891 ----- 1.518 0.799 0.127 0.458 RESID 85 (G): -0.969 ----- -0.279 0.648 ----- 0.197 RESID 86 (L): -0.269 ----- 0.137 -0.287 0.132 0.635 RESID 87 (Q): 0.378 ----- -0.509 -0.642 1.416 0.159 RESID 88 (R): -1.669 ----- -0.927 -1.423 1.130 0.259 RESID 89 (Q): -1.048 ----- -1.072 -1.390 0.281 0.422 RESID 90 (M): -0.195 ----- -1.978 -2.780 1.012 -0.518 RESID 91 (S): -1.238 ----- -0.710 -2.215 1.660 0.070 RESID 92 (F): -0.106 ----- 1.137 -2.111 0.005 0.804 RESID 93 (A): 4.247 ----- -0.750 0.276 -0.317 0.631 RESID 94 (S): -1.933 ----- -0.153 -1.171 0.481 0.386 RESID 95 (V): 4.882 ----- 0.023 -0.702 -0.004 -0.022 RESID 96 (R): 6.498 ----- 0.416 1.389 2.747 0.664 RESID 97 (I): -0.148 ----- 1.096 1.189 0.409 0.340 RESID 98 (G): 1.745 ----- 1.591 0.796 ----- 0.525 RESID 99 (L): 0.700 ----- 0.015 1.279 0.226 0.098 RESID 100 (Y): 0.541 ----- -0.161 -0.184 0.722 0.027 RESID 101 (D): 0.827 ----- 0.408 0.930 0.853 -0.161 RESID 102 (S): 0.293 ----- -0.306 1.192 0.971 0.167 RESID 103 (V): 0.023 ----- 0.232 1.728 0.440 0.452 RESID 104 (K): 0.871 ----- -0.050 0.269 -0.411 0.098 RESID 105 (Q): 1.104 ----- -0.272 0.933 -0.453 -0.287 RESID 106 (F): 1.592 ----- 1.012 0.411 0.111 0.253 RESID 107 (Y): 5.432 ----- -0.542 2.538 -1.175 0.724 RESID 108 (T): 3.174 ----- 0.632 2.265 0.536 0.327 RESID 113 (H): ----- ----- -0.551 ----- ----- -0.300 RESID 114 (A): -6.512 ----- 1.803 1.020 0.013 0.880 RESID 115 (G): 1.834 ----- -0.363 1.033 ----- 0.132 RESID 116 (I): -0.387 ----- -0.020 -0.641 0.830 -0.026 RESID 117 (G): 3.553 ----- -0.939 -0.533 ----- 0.071 RESID 118 (S): -2.868 ----- -0.989 -2.402 1.135 -0.144 RESID 119 (R): 1.625 ----- -0.355 -2.090 0.271 -0.042 RESID 120 (L): -0.248 ----- -1.169 -0.013 0.829 0.639 RESID 121 (L): -1.806 ----- -1.230 -2.680 0.650 -0.361 RESID 122 (A): 1.537 ----- -1.741 -2.096 0.902 -0.867 RESID 123 (G): 0.773 ----- 0.499 -1.264 ----- -0.700 RESID 124 (S): -0.948 ----- -1.312 -2.342 1.216 -0.324 RESID 125 (T): -2.991 ----- -0.765 0.075 0.926 -0.231 RESID 126 (T): -3.477 ----- 0.724 -1.958 0.196 -0.533 RESID 127 (G): 6.717 ----- -0.840 -0.714 ----- -0.003 RESID 128 (A): -0.529 ----- -1.258 -1.426 0.569 0.472 RESID 129 (L): 1.458 ----- -1.187 -1.468 1.267 0.358 RESID 130 (A): 2.082 ----- -1.558 -1.962 0.548 -0.209 RESID 131 (V): 2.300 ----- -1.533 -1.612 1.966 -0.258 RESID 132 (A): 1.415 ----- 0.291 -0.886 0.520 0.294 RESID 133 (V): -5.712 ----- -0.481 0.868 -0.985 -0.360 RESID 134 (A): 2.748 ----- ----- 3.569 ----- 0.046 RESID 136 (P): ----- ----- -1.388 ----- ----- ----- RESID 137 (T): 1.338 ----- -1.723 -2.594 1.948 -0.059 RESID 138 (D): 1.447 ----- -0.150 -0.431 0.707 0.346 RESID 139 (V): 2.465 ----- -0.807 0.322 1.676 -0.095 RESID 140 (V): -0.993 ----- -1.033 0.515 0.627 0.282 RESID 141 (K): 0.173 ----- -2.612 -3.940 -0.552 0.149 RESID 142 (V): 0.790 ----- ----- -2.339 ----- 0.278 RESID 143 (R): ----- ----- -0.441 ----- ----- 0.373 RESID 144 (F): 0.215 ----- 1.519 0.488 ----- -0.112 RESID 145 (Q): 7.437 ----- -2.766 -1.616 1.467 0.321 RESID 146 (A): 0.026 ----- -0.284 0.224 -0.380 0.521 RESID 147 (Q): -0.226 ----- 0.829 -0.173 1.247 0.502 RESID 148 (A): -4.089 ----- 0.200 -0.222 -0.517 -0.241 RESID 149 (R): 3.017 ----- ----- 1.627 0.449 0.058 RESID 159 (T): ----- ----- -0.789 ----- ----- ----- RESID 160 (V): 0.109 ----- 0.027 -1.412 0.105 0.157 RESID 161 (E): 1.615 ----- 0.256 0.177 0.070 -0.417 RESID 162 (A): -0.357 ----- 0.485 0.124 -0.430 -0.855 RESID 163 (Y): -1.113 ----- -0.459 -0.727 -0.851 -0.174 RESID 164 (K): 1.122 ----- -0.669 0.879 -0.071 0.534 RESID 165 (T): 0.686 ----- -1.025 -0.038 0.517 -0.238 RESID 166 (I): 2.967 ----- 0.001 0.586 2.188 0.152 RESID 167 (A): -1.609 ----- -1.785 -0.040 0.457 0.428 RESID 168 (R): -2.075 ----- -1.184 -0.344 1.019 -0.135 RESID 169 (E): 0.533 ----- -0.735 -0.096 0.274 0.327 RESID 170 (E): 0.929 ----- 1.002 0.607 0.599 0.246 RESID 171 (G): 1.339 ----- 0.022 0.756 ----- 0.274 RESID 172 (I): -0.323 ----- 0.129 0.610 0.593 0.307 RESID 173 (R): -0.297 ----- -0.346 0.065 0.613 -0.050 RESID 174 (G): -0.011 ----- -1.232 0.037 ----- -0.201 RESID 175 (L): -0.597 ----- -0.988 -0.282 1.108 0.160 RESID 176 (W): 0.110 ----- -1.093 1.079 2.117 -0.443 RESID 177 (K): 1.129 ----- -0.365 -2.117 0.806 0.235 RESID 178 (G): 5.005 ----- -1.396 0.509 ----- 0.007 RESID 179 (T): -4.654 ----- -1.479 -0.433 1.641 -0.160 RESID 180 (S): 1.645 ----- ----- -0.304 0.136 0.511 RESID 182 (N): ----- ----- -0.429 ----- ----- ----- RESID 183 (V): -1.477 ----- -0.701 -1.205 1.358 0.224 RESID 184 (A): 0.557 ----- -1.018 0.149 9.987 0.531 RESID 185 (R): -2.149 ----- -0.658 -0.041 -0.348 -0.357 RESID 186 (N): -0.494 ----- -0.693 0.368 1.028 0.274 RESID 187 (A): -1.898 ----- -1.032 0.516 -0.527 -0.237 RESID 188 (I): 0.197 ----- -1.350 0.528 0.812 -0.250 RESID 189 (V): -3.863 ----- 0.557 -1.523 -0.546 -0.318 RESID 190 (N): 0.497 ----- -0.872 1.054 1.025 -0.004 RESID 191 (C): 0.620 ----- -1.085 -4.315 14.620 -0.102 RESID 192 (A): 0.069 ----- -0.631 0.148 0.051 -0.513 RESID 193 (E): -5.313 ----- -2.125 -1.137 -0.178 -0.670 RESID 194 (L): -0.517 ----- -2.371 -2.035 -0.092 -0.683 RESID 195 (V): 1.668 ----- -0.783 -1.756 0.288 0.028 RESID 196 (T): 5.050 ----- -1.498 -1.322 0.819 0.074 RESID 197 (Y): 0.101 ----- 0.155 -0.017 -0.323 0.353 RESID 198 (D): -1.164 ----- -0.592 -0.513 0.083 0.378 RESID 199 (L): 1.673 ----- 1.189 0.665 1.536 0.203 RESID 200 (I): 2.357 ----- -0.652 2.203 1.433 0.459 RESID 201 (K): 2.344 ----- -1.237 1.503 -0.532 0.641 RESID 202 (D): 1.060 ----- 1.387 1.580 0.266 0.368 RESID 203 (T): 0.339 ----- ----- -1.099 -0.864 0.007 RESID 204 (L): ----- ----- 0.644 ----- ----- -0.812 RESID 205 (L): 0.753 ----- 2.485 1.407 0.771 0.152 RESID 206 (K): 0.779 ----- 0.791 0.438 0.137 -0.312 RESID 207 (A): 0.453 ----- 0.350 1.297 0.195 0.090 RESID 208 (N): -0.591 ----- -1.112 0.431 0.305 -0.062 RESID 212 (D): ----- ----- 0.391 ----- ----- ----- RESID 213 (D): -1.782 ----- -1.517 0.435 -0.698 -0.175 RESID 214 (L): -0.274 ----- ----- 1.502 -0.510 -0.422 RESID 215 (P): ----- ----- -0.676 0.154 -0.963 ----- RESID 216 (C): -0.724 ----- -1.048 -3.978 14.337 -0.318 RESID 217 (H): 0.151 ----- -0.369 -1.676 0.695 -0.336 RESID 218 (F): 2.199 ----- -1.480 -2.856 0.329 0.260 RESID 219 (T): -1.000 ----- -1.048 -1.858 -5.446 0.142 RESID 220 (S): 0.491 ----- -1.542 -0.692 0.573 0.308 RESID 221 (A): -0.754 ----- -1.449 -1.059 0.645 0.087 RESID 222 (F): -3.660 ----- -1.380 -2.975 0.428 -0.617 RESID 223 (G): 1.994 ----- -1.579 -1.055 ----- -0.294 RESID 224 (A): -1.738 ----- -1.177 -0.923 0.659 0.045 RESID 225 (G): 0.336 ----- -0.113 0.215 ----- -0.336 RESID 226 (F): -0.810 ----- -0.065 0.699 -1.206 -0.198 RESID 227 (C): -1.618 ----- ----- -0.730 14.502 -0.068 RESID 228 (T): ----- ----- -0.037 ----- ----- 0.036 RESID 229 (T): -1.160 ----- 0.314 -0.426 -0.884 0.098 RESID 230 (V): 1.811 ----- 0.961 1.612 -0.068 0.866 RESID 231 (I): 1.365 ----- -0.226 2.058 -0.234 1.258 RESID 232 (A): 1.581 ----- -0.979 0.318 -0.187 0.794 RESID 233 (S): -1.244 ----- ----- -1.168 0.002 -0.057 RESID 234 (P): ----- ----- -0.145 ----- ----- ----- RESID 235 (V): -1.485 ----- -0.782 -1.597 -0.368 0.736 RESID 236 (D): 1.678 ----- -0.976 0.164 -0.578 0.631 RESID 237 (V): -2.550 ----- ----- -1.287 -0.650 -0.252 RESID 238 (V): ----- ----- 0.364 ----- ----- -0.132 RESID 239 (K): 2.137 ----- 0.493 -0.819 -0.220 0.297 RESID 240 (T): 2.510 ----- -0.512 2.437 -1.243 0.336 RESID 241 (R): -1.186 ----- ----- -0.987 0.837 -0.045 RESID 242 (Y): ----- ----- -0.777 ----- ----- 0.305 RESID 243 (M): -3.287 ----- 1.014 -2.431 ----- -1.040 RESID 244 (N): -1.960 ----- 0.311 6.741 -0.130 -0.697 RESID 245 (S): 0.430 ----- 1.689 -4.395 -1.318 0.195 RESID 246 (A): 1.872 ----- 0.210 4.855 -0.747 0.017 RESID 247 (L): -0.263 ----- 0.460 -0.286 0.597 -0.499 RESID 248 (G): 0.638 ----- ----- -0.054 ----- 0.278 RESID 250 (Y): ----- ----- 2.004 ----- ----- -0.455 RESID 251 (H): 2.414 ----- -0.764 1.079 -0.776 -0.326 RESID 252 (S): -0.668 ----- 0.340 0.075 -0.238 0.288 RESID 253 (A): -0.296 ----- -0.582 0.164 0.863 -0.670 RESID 254 (G): 0.794 ----- -1.401 0.518 ----- -0.282 RESID 255 (H): -0.123 ----- 1.117 0.731 3.172 0.494 RESID 256 (C): -0.582 ----- -0.822 -3.516 15.426 0.276 RESID 257 (A): 0.046 ----- 0.015 -0.689 -0.322 0.497 RESID 258 (L): 0.924 ----- -0.437 -0.891 -0.757 -0.195 RESID 259 (T): -1.598 ----- -0.276 -0.569 -1.156 -0.417 RESID 260 (M): -3.003 ----- -0.214 0.570 0.248 -0.092 RESID 261 (L): -1.568 ----- -0.721 1.323 0.168 0.503 RESID 262 (R): -0.994 ----- ----- 0.475 0.439 0.197 RESID 266 (P): ----- ----- -0.941 0.813 ----- ----- RESID 267 (R): -0.268 ----- -0.567 0.654 0.456 -0.146 RESID 268 (A): -0.322 ----- -0.478 -0.267 0.341 -0.072 RESID 269 (F): -0.895 ----- -1.684 -0.108 -0.198 -0.155 RESID 270 (Y): 0.727 ----- -0.260 -0.235 0.296 0.088 RESID 271 (K): 0.809 ----- 1.327 1.127 -0.534 -0.091 RESID 272 (G): -0.904 ----- 0.984 0.635 ----- -0.553 RESID 273 (F): 4.494 ----- -0.579 0.892 1.288 0.313 RESID 277 (F): ----- ----- -0.491 0.433 0.193 -0.652 RESID 278 (L): -1.321 ----- -1.881 -1.693 1.304 0.139 RESID 279 (R): 0.031 ----- -2.390 -2.500 0.777 -0.425 RESID 280 (L): 0.397 ----- -1.856 -0.913 1.294 -0.684 RESID 281 (G): 0.029 ----- -2.221 -0.016 ----- 0.126 RESID 282 (S): -2.565 ----- -2.231 -2.575 -4.138 0.286 RESID 283 (W): -0.062 ----- -1.266 -1.471 0.857 -0.465 RESID 284 (N): -0.287 ----- ----- -1.208 1.095 0.233 RESID 285 (V): ----- ----- -0.181 ----- ----- 0.300 RESID 286 (V): 2.519 ----- -0.083 -1.358 -1.728 0.299 RESID 287 (M): 1.944 ----- -1.190 -1.230 -0.651 0.814 RESID 288 (F): 3.614 ----- -1.364 -0.608 0.394 0.009 RESID 289 (V): 2.509 ----- ----- -2.221 -0.956 0.311 RESID 290 (T): ----- ----- -1.038 ----- ----- 0.568 RESID 291 (Y): -4.624 ----- 0.093 0.063 -0.383 0.337 RESID 292 (E): -0.046 ----- -1.969 0.577 0.908 0.149 RESID 293 (Q): -0.878 ----- -1.396 0.482 0.391 0.075 RESID 294 (L): 3.070 ----- -0.454 1.756 -0.007 0.651 RESID 295 (K): 0.748 ----- ----- 0.577 -1.066 0.167 RESID 296 (R): ----- ----- ----- ----- ----- -0.095 RESID 297 (A): ----- ----- 0.627 ----- ----- 0.010 RESID 298 (L): -3.958 ----- 1.330 2.936 0.879 -0.518 RESID 299 (M): -0.265 ----- 3.637 3.371 0.808 -0.550 RESID 300 (A): -2.201 ----- 4.151 3.234 -1.680 0.106 RESID 301 (A): -7.529 ----- 0.428 0.985 -0.390 -0.842 RESID 302 (Y): -1.627 ----- -0.872 -0.525 1.238 -0.377 RESID 303 (Q): -1.391 ----- -1.222 -0.322 1.139 -0.589 RESID 304 (S): -0.757 ----- -1.997 -1.332 0.597 -0.144 RESID 305 (R): 1.742 ----- -2.492 1.532 0.609 -0.492 RESID 306 (E): 2.015 ----- -1.202 0.881 0.713 0.161 RESID 307 (A): -3.007 ----- -1.002 1.516 0.916 0.052 DATA CS_STAT_INFO N RMS: 2.514 ppm Count: 236 Average Difference: -0.253 +/- 2.506 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.118 ppm Count: 239 Average Difference: 0.333 +/- 1.069 ppm DATA CS_STAT_INFO CA RMS: 1.568 ppm Count: 241 Average Difference: 0.108 +/- 1.568 ppm DATA CS_STAT_INFO CB RMS: 2.567 ppm Count: 215 Average Difference: -0.649 +/- 2.490 ppm DATA CS_STAT_INFO HN RMS: 0.418 ppm Count: 249 Average Difference: -0.060 +/- 0.414 ppm ############################################################################ For conformer 12: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 123.290 -0.195 RESID 15 (V): C 176.453 176.453 174.946 1.507 RESID 15 (V): CA 63.979 63.979 60.632 3.347 RESID 15 (V): CB 32.507 32.507 35.791 -3.284 RESID 15 (V): H 8.053 8.053 7.924 0.129 RESID 16 (K): N 123.075 123.075 123.198 -0.123 RESID 16 (K): C 176.841 176.841 178.862 -2.021 RESID 16 (K): CA 59.762 59.762 58.640 1.122 RESID 16 (K): CB 32.751 32.751 31.743 1.008 RESID 16 (K): H 8.059 8.059 8.520 -0.461 RESID 17 (F): N 118.838 118.838 118.468 0.370 RESID 17 (F): C 175.443 175.443 178.461 -3.018 RESID 17 (F): CA 59.915 59.915 61.019 -1.104 RESID 17 (F): CB 39.659 39.659 38.109 1.550 RESID 17 (F): H 7.909 7.909 7.808 0.101 RESID 18 (L): N 119.089 119.089 119.837 -0.748 RESID 18 (L): C 177.195 177.195 178.325 -1.130 RESID 18 (L): CA 55.385 55.385 56.745 -1.359 RESID 18 (L): CB 42.905 42.905 41.620 1.285 RESID 18 (L): H 7.814 7.814 8.048 -0.234 RESID 19 (G): N 108.484 108.484 107.770 0.714 RESID 19 (G): C 174.967 174.967 175.572 -0.605 RESID 19 (G): CA 45.518 45.518 47.157 -1.639 RESID 19 (G): H 8.032 8.032 8.272 -0.240 RESID 20 (A): N 124.208 124.208 123.844 0.364 RESID 20 (A): C 179.405 179.405 179.524 -0.119 RESID 20 (A): CA 54.531 54.531 54.483 0.048 RESID 20 (A): CB 18.995 18.995 18.270 0.725 RESID 20 (A): H 8.318 8.318 7.943 0.375 RESID 21 (G): N 108.209 108.209 107.434 0.775 RESID 21 (G): C 175.676 175.676 176.268 -0.592 RESID 21 (G): CA 46.742 46.742 47.459 -0.717 RESID 21 (G): H 8.523 8.523 8.123 0.400 RESID 22 (T): N 119.542 119.542 118.780 0.762 RESID 22 (T): C 175.661 175.661 176.005 -0.344 RESID 22 (T): CA 66.401 66.401 66.612 -0.211 RESID 22 (T): CB 68.866 68.866 68.407 0.459 RESID 22 (T): H 7.881 7.881 8.331 -0.450 RESID 23 (A): N 123.431 123.431 123.759 -0.328 RESID 23 (A): C 178.628 178.628 179.033 -0.405 RESID 23 (A): CA 55.480 55.480 55.008 0.471 RESID 23 (A): CB 18.218 18.218 17.973 0.245 RESID 23 (A): H 8.263 8.263 7.527 0.736 RESID 24 (A): N 119.939 119.939 120.684 -0.745 RESID 24 (A): C 179.172 179.172 179.471 -0.299 RESID 24 (A): CA 55.038 55.038 55.046 -0.008 RESID 24 (A): CB 18.385 18.385 18.224 0.161 RESID 24 (A): H 7.827 7.827 8.397 -0.570 RESID 25 (C): N 116.736 116.736 117.218 -0.482 RESID 25 (C): C 176.220 176.220 177.271 -1.051 RESID 25 (C): CA 58.596 58.596 62.227 -3.631 RESID 25 (C): CB 41.771 41.771 27.110 14.661 RESID 25 (C): H 7.677 7.677 7.532 0.145 RESID 26 (I): N 119.154 119.154 119.092 0.062 RESID 26 (I): C 176.915 176.915 177.335 -0.420 RESID 26 (I): CA 64.858 64.858 64.617 0.241 RESID 26 (I): CB 38.090 38.090 36.958 1.132 RESID 26 (I): H 7.899 7.899 7.667 0.232 RESID 27 (A): N 121.116 121.116 122.130 -1.014 RESID 27 (A): C 179.016 179.016 178.432 0.584 RESID 27 (A): CA 55.367 55.367 54.999 0.368 RESID 27 (A): CB 18.385 18.385 18.559 -0.174 RESID 27 (A): H 7.909 7.909 7.836 0.073 RESID 28 (D): N 116.829 116.829 117.555 -0.726 RESID 28 (D): C 177.643 177.643 178.598 -0.955 RESID 28 (D): CA 56.453 56.453 56.839 -0.386 RESID 28 (D): CB 41.128 41.128 40.893 0.235 RESID 28 (D): H 7.554 7.554 7.549 0.005 RESID 29 (L): N 119.672 119.672 120.976 -1.304 RESID 29 (L): C 178.628 178.628 179.415 -0.787 RESID 29 (L): CA 57.144 57.144 58.406 -1.262 RESID 29 (L): CB 43.146 43.146 42.115 1.031 RESID 29 (L): H 7.732 7.732 7.506 0.226 RESID 30 (I): N 113.629 113.629 117.449 -3.820 RESID 30 (I): C 176.456 176.456 176.749 -0.293 RESID 30 (I): CA 60.539 60.539 63.271 -2.732 RESID 30 (I): CB 38.506 38.506 38.376 0.130 RESID 30 (I): H 7.977 7.977 7.615 0.362 RESID 31 (T): N 113.314 113.314 115.945 -2.631 RESID 31 (T): C 174.045 174.045 175.941 -1.896 RESID 31 (T): CA 62.495 62.495 64.070 -1.575 RESID 31 (T): CB 69.898 69.898 69.991 -0.093 RESID 31 (T): H 7.738 7.738 7.423 0.315 RESID 32 (F): N 123.409 123.409 123.716 -0.307 RESID 32 (F): CA 56.349 56.349 63.045 -6.696 RESID 32 (F): CB 39.148 39.148 36.991 2.157 RESID 32 (F): H 7.609 7.609 8.646 -1.037 RESID 33 (P): C 177.831 177.831 177.759 0.072 RESID 33 (P): CA 62.656 62.656 65.261 -2.605 RESID 33 (P): CB 34.762 34.762 31.135 3.627 RESID 34 (L): N 124.503 124.503 116.994 7.509 RESID 34 (L): C 176.298 176.298 178.294 -1.996 RESID 34 (L): CA 55.545 55.545 57.903 -2.358 RESID 34 (L): CB 43.287 43.287 41.717 1.570 RESID 34 (L): H 8.659 8.659 7.323 1.336 RESID 35 (D): N 121.663 121.663 118.155 3.508 RESID 35 (D): C 177.152 177.152 178.077 -0.925 RESID 35 (D): CA 54.326 54.326 57.236 -2.909 RESID 35 (D): CB 41.154 41.154 40.165 0.989 RESID 35 (D): H 8.236 8.236 7.899 0.337 RESID 36 (T): N 115.977 115.977 111.172 4.805 RESID 36 (T): C 177.088 177.088 176.474 0.614 RESID 36 (T): CA 64.868 64.868 65.498 -0.630 RESID 36 (T): CB 69.053 69.053 68.842 0.211 RESID 36 (T): H 8.127 8.127 7.886 0.241 RESID 37 (A): N 125.063 125.063 124.133 0.930 RESID 37 (A): C 179.143 179.143 179.440 -0.297 RESID 37 (A): CA 55.234 55.234 55.102 0.132 RESID 37 (A): CB 18.735 18.735 18.492 0.243 RESID 37 (A): H 8.042 8.042 7.850 0.192 RESID 38 (K): N 117.827 117.827 118.686 -0.859 RESID 38 (K): C 178.239 178.239 179.178 -0.939 RESID 38 (K): CA 58.861 58.861 58.763 0.098 RESID 38 (K): CB 32.724 32.724 31.939 0.785 RESID 38 (K): H 7.759 7.759 7.537 0.222 RESID 39 (V): N 118.955 118.955 120.294 -1.339 RESID 39 (V): C 177.892 177.892 177.946 -0.054 RESID 39 (V): CA 65.478 65.478 65.462 0.016 RESID 39 (V): CB 34.675 34.675 31.725 2.950 RESID 39 (V): H 7.554 7.554 7.606 -0.052 RESID 40 (R): N 119.922 119.922 119.769 0.153 RESID 40 (R): C 178.391 178.391 178.775 -0.384 RESID 40 (R): CA 59.648 59.648 58.035 1.613 RESID 40 (R): CB 29.933 29.933 29.964 -0.031 RESID 40 (R): H 7.794 7.794 7.484 0.310 RESID 41 (L): N 118.720 118.720 121.257 -2.537 RESID 41 (L): CA 54.749 54.749 55.550 -0.801 RESID 41 (L): CB 40.429 40.429 40.910 -0.481 RESID 41 (L): H 7.534 7.534 7.694 -0.160 RESID 49 (G): C 174.779 174.779 175.101 -0.322 RESID 50 (L): N 123.029 123.029 118.735 4.294 RESID 50 (L): C 178.482 178.482 177.725 0.757 RESID 50 (L): CA 56.765 56.765 57.750 -0.985 RESID 50 (L): CB 41.673 41.673 41.065 0.608 RESID 50 (L): H 8.113 8.113 7.865 0.248 RESID 51 (V): N 118.714 118.714 120.257 -1.543 RESID 51 (V): C 178.032 178.032 178.810 -0.778 RESID 51 (V): CA 66.037 66.037 66.277 -0.240 RESID 51 (V): CB 30.763 30.763 30.801 -0.038 RESID 51 (V): H 7.974 7.974 8.040 -0.066 RESID 52 (R): N 121.569 121.569 118.223 3.346 RESID 52 (R): CA 59.167 59.167 58.802 0.365 RESID 52 (R): CB 29.437 29.437 29.869 -0.432 RESID 52 (R): H 8.231 8.231 7.880 0.351 RESID 53 (T): C 175.108 175.108 174.411 0.697 RESID 53 (T): H 7.948 7.948 7.397 0.551 RESID 54 (A): N 121.823 121.823 123.429 -1.606 RESID 54 (A): C 174.922 174.922 176.327 -1.405 RESID 54 (A): CA 50.101 50.101 51.224 -1.123 RESID 54 (A): CB 18.950 18.950 19.834 -0.884 RESID 54 (A): H 7.792 7.792 7.904 -0.112 RESID 55 (A): N 113.986 113.986 125.660 -11.674 RESID 55 (A): C 178.007 178.007 177.460 0.547 RESID 55 (A): CA 53.458 53.458 54.062 -0.604 RESID 55 (A): CB 18.809 18.809 18.732 0.077 RESID 55 (A): H 7.333 7.333 8.580 -1.247 RESID 56 (S): N 125.425 125.425 113.402 12.023 RESID 56 (S): C 174.899 174.899 174.039 0.860 RESID 56 (S): CA 59.520 59.520 57.533 1.986 RESID 56 (S): CB 64.051 64.051 64.007 0.044 RESID 56 (S): H 7.786 7.786 7.625 0.161 RESID 57 (A): N 118.183 118.183 121.741 -3.558 RESID 57 (A): CA 53.783 53.783 52.689 1.094 RESID 57 (A): CB 17.599 17.599 17.730 -0.131 RESID 57 (A): H 8.018 8.018 8.320 -0.302 RESID 59 (Y): C 177.662 177.662 176.787 0.875 RESID 60 (R): N 122.798 122.798 121.300 1.498 RESID 60 (R): C 177.956 177.956 176.369 1.587 RESID 60 (R): CA 58.711 58.711 56.922 1.789 RESID 60 (R): CB 30.659 30.659 30.243 0.416 RESID 60 (R): H 8.311 8.311 8.779 -0.468 RESID 61 (G): N 109.033 109.033 107.972 1.061 RESID 61 (G): C 176.064 176.064 175.644 0.420 RESID 61 (G): CA 46.592 46.592 45.471 1.121 RESID 61 (G): H 8.182 8.182 8.103 0.079 RESID 62 (V): N 123.218 123.218 123.843 -0.625 RESID 62 (V): C 177.540 177.540 177.413 0.127 RESID 62 (V): CA 66.277 66.277 64.373 1.904 RESID 62 (V): CB 32.355 32.355 31.992 0.363 RESID 62 (V): H 8.105 8.105 8.331 -0.226 RESID 63 (L): N 120.295 120.295 120.035 0.260 RESID 63 (L): C 178.628 178.628 179.026 -0.398 RESID 63 (L): CA 58.366 58.366 57.471 0.895 RESID 63 (L): CB 41.675 41.675 40.364 1.310 RESID 63 (L): H 8.182 8.182 8.353 -0.171 RESID 64 (G): N 106.013 106.013 105.841 0.172 RESID 64 (G): C 176.531 176.531 176.305 0.226 RESID 64 (G): CA 47.765 47.765 47.374 0.391 RESID 64 (G): H 8.102 8.102 7.769 0.333 RESID 65 (T): N 120.842 120.842 116.802 4.040 RESID 65 (T): C 176.453 176.453 176.604 -0.151 RESID 65 (T): CA 67.140 67.140 65.617 1.523 RESID 65 (T): CB 69.161 69.161 68.462 0.699 RESID 65 (T): H 7.854 7.854 7.484 0.370 RESID 66 (I): N 122.676 122.676 122.133 0.543 RESID 66 (I): C 177.307 177.307 177.785 -0.478 RESID 66 (I): CA 65.832 65.832 64.655 1.177 RESID 66 (I): CB 38.090 38.090 37.664 0.426 RESID 66 (I): H 8.018 8.018 7.441 0.577 RESID 67 (L): N 119.838 119.838 118.517 1.321 RESID 67 (L): C 178.706 178.706 177.943 0.763 RESID 67 (L): CA 58.491 58.491 58.588 -0.097 RESID 67 (L): CB 41.387 41.387 41.125 0.262 RESID 67 (L): H 8.291 8.291 7.478 0.813 RESID 68 (T): N 115.362 115.362 116.304 -0.942 RESID 68 (T): C 176.764 176.764 176.636 0.128 RESID 68 (T): CA 67.040 67.040 66.137 0.903 RESID 68 (T): CB 69.403 69.403 68.612 0.791 RESID 68 (T): H 7.963 7.963 7.201 0.762 RESID 69 (M): N 122.960 122.960 118.589 4.371 RESID 69 (M): C 177.153 177.153 178.119 -0.966 RESID 69 (M): CA 59.710 59.710 57.558 2.152 RESID 69 (M): CB 33.111 33.111 31.506 1.605 RESID 69 (M): H 7.977 7.977 7.604 0.373 RESID 70 (V): N 119.558 119.558 118.326 1.232 RESID 70 (V): C 176.841 176.841 178.040 -1.199 RESID 70 (V): CA 66.277 66.277 65.558 0.719 RESID 70 (V): CB 31.362 31.362 31.340 0.022 RESID 70 (V): H 7.751 7.751 7.462 0.289 RESID 71 (R): N 118.002 118.002 117.318 0.684 RESID 71 (R): C 177.152 177.152 178.099 -0.947 RESID 71 (R): CA 58.761 58.761 57.719 1.042 RESID 71 (R): CB 30.656 30.656 29.598 1.058 RESID 71 (R): H 7.827 7.827 7.452 0.375 RESID 72 (T): N 111.410 111.410 114.853 -3.443 RESID 72 (T): C 175.288 175.288 175.523 -0.235 RESID 72 (T): CA 64.194 64.194 65.490 -1.296 RESID 72 (T): CB 70.312 70.312 69.141 1.171 RESID 72 (T): H 7.745 7.745 7.669 0.076 RESID 73 (E): N 120.577 120.577 118.472 2.105 RESID 73 (E): C 177.696 177.696 175.990 1.706 RESID 73 (E): CA 57.363 57.363 56.705 0.658 RESID 73 (E): CB 30.927 30.927 32.277 -1.350 RESID 73 (E): H 8.263 8.263 8.261 0.002 RESID 74 (G): N 108.209 108.209 106.164 2.045 RESID 74 (G): CA 45.593 45.593 44.807 0.786 RESID 74 (G): H 7.841 7.841 7.468 0.373 RESID 75 (P): C 177.152 177.152 178.391 -1.239 RESID 75 (P): CA 65.652 65.652 64.510 1.142 RESID 75 (P): CB 32.294 32.294 32.323 -0.029 RESID 76 (R): N 118.553 118.553 117.401 1.152 RESID 76 (R): C 177.696 177.696 178.202 -0.506 RESID 76 (R): CA 59.785 59.785 58.119 1.666 RESID 76 (R): CB 29.671 29.671 29.412 0.259 RESID 76 (R): H 8.427 8.427 8.576 -0.149 RESID 77 (S): N 115.323 115.323 113.765 1.558 RESID 77 (S): C 177.230 177.230 175.637 1.593 RESID 77 (S): CA 61.318 61.318 60.416 0.902 RESID 77 (S): CB 63.281 63.281 63.135 0.146 RESID 77 (S): H 7.963 7.963 8.190 -0.227 RESID 78 (L): N 122.598 122.598 120.890 1.708 RESID 78 (L): C 177.696 177.696 178.022 -0.326 RESID 78 (L): CA 57.792 57.792 56.930 0.862 RESID 78 (L): CB 42.202 42.202 42.030 0.172 RESID 78 (L): H 7.595 7.595 7.415 0.180 RESID 79 (Y): N 119.276 119.276 114.271 5.005 RESID 79 (Y): C 176.142 176.142 176.495 -0.353 RESID 79 (Y): CA 60.792 60.792 58.846 1.946 RESID 79 (Y): CB 38.687 38.687 37.569 1.118 RESID 79 (Y): H 7.868 7.868 7.409 0.459 RESID 80 (N): N 117.249 117.249 116.345 0.904 RESID 80 (N): C 178.472 178.472 175.565 2.907 RESID 80 (N): CA 53.024 53.024 52.964 0.060 RESID 80 (N): CB 37.946 37.946 37.889 0.057 RESID 80 (N): H 8.374 8.374 7.629 0.745 RESID 81 (G): N 108.575 108.575 106.435 2.140 RESID 81 (G): C 175.521 175.521 174.607 0.914 RESID 81 (G): CA 46.266 46.266 45.400 0.866 RESID 81 (G): H 8.086 8.086 7.470 0.617 RESID 82 (L): N 124.326 124.326 123.286 1.040 RESID 82 (L): C 178.239 178.239 177.772 0.467 RESID 82 (L): CA 58.217 58.217 57.614 0.603 RESID 82 (L): CB 42.351 42.351 42.161 0.190 RESID 82 (L): H 7.991 7.991 7.602 0.389 RESID 83 (V): N 117.727 117.727 117.650 0.077 RESID 83 (V): C 177.851 177.851 177.323 0.528 RESID 83 (V): CA 64.113 64.113 65.864 -1.751 RESID 83 (V): CB 31.924 31.924 30.975 0.949 RESID 83 (V): H 8.004 8.004 7.954 0.050 RESID 84 (A): N 121.414 121.414 121.962 -0.548 RESID 84 (A): C 180.570 180.570 179.411 1.159 RESID 84 (A): CA 55.031 55.031 54.410 0.621 RESID 84 (A): CB 18.286 18.286 18.255 0.031 RESID 84 (A): H 7.677 7.677 7.221 0.456 RESID 85 (G): N 106.471 106.471 107.405 -0.934 RESID 85 (G): C 175.521 175.521 176.176 -0.655 RESID 85 (G): CA 47.191 47.191 46.642 0.549 RESID 85 (G): H 7.963 7.963 7.602 0.361 RESID 86 (L): N 122.326 122.326 122.191 0.135 RESID 86 (L): C 178.239 178.239 178.956 -0.717 RESID 86 (L): CA 57.493 57.493 57.602 -0.109 RESID 86 (L): CB 42.202 42.202 41.183 1.019 RESID 86 (L): H 8.100 8.100 7.423 0.677 RESID 87 (Q): N 117.736 117.736 117.517 0.219 RESID 87 (Q): C 177.340 177.340 178.005 -0.665 RESID 87 (Q): CA 57.787 57.787 58.917 -1.130 RESID 87 (Q): CB 28.942 28.942 28.125 0.817 RESID 87 (Q): H 8.004 8.004 7.889 0.115 RESID 88 (R): N 118.107 118.107 119.078 -0.971 RESID 88 (R): C 177.930 177.930 178.984 -1.054 RESID 88 (R): CA 58.062 58.062 59.301 -1.239 RESID 88 (R): CB 30.774 30.774 29.654 1.120 RESID 88 (R): H 7.568 7.568 7.527 0.041 RESID 89 (Q): N 117.921 117.921 118.034 -0.113 RESID 89 (Q): C 177.375 177.375 178.645 -1.270 RESID 89 (Q): CA 56.838 56.838 58.721 -1.883 RESID 89 (Q): CB 29.006 29.006 28.315 0.691 RESID 89 (Q): H 7.827 7.827 7.564 0.263 RESID 90 (M): N 118.378 118.378 118.113 0.265 RESID 90 (M): C 176.365 176.365 178.717 -2.352 RESID 90 (M): CA 56.339 56.339 57.618 -1.280 RESID 90 (M): CB 33.444 33.444 31.771 1.673 RESID 90 (M): H 7.963 7.963 8.255 -0.292 RESID 91 (S): N 115.089 115.089 115.482 -0.393 RESID 91 (S): C 175.899 175.899 176.441 -0.542 RESID 91 (S): CA 58.621 58.621 61.104 -2.483 RESID 91 (S): CB 64.337 64.337 62.581 1.756 RESID 91 (S): H 7.868 7.868 7.954 -0.086 RESID 92 (F): N 122.852 122.852 123.184 -0.332 RESID 92 (F): C 177.375 177.375 176.746 0.629 RESID 92 (F): CA 59.095 59.095 61.890 -2.795 RESID 92 (F): CB 38.937 38.937 39.143 -0.206 RESID 92 (F): H 8.332 8.332 7.543 0.789 RESID 93 (A): N 123.258 123.258 120.079 3.179 RESID 93 (A): C 178.628 178.628 179.238 -0.610 RESID 93 (A): CA 54.881 54.881 54.576 0.305 RESID 93 (A): CB 17.902 17.902 18.338 -0.436 RESID 93 (A): H 8.223 8.223 7.786 0.437 RESID 94 (S): N 112.886 112.886 114.752 -1.866 RESID 94 (S): C 176.831 176.831 177.210 -0.379 RESID 94 (S): CA 60.319 60.319 61.159 -0.840 RESID 94 (S): CB 63.611 63.611 63.528 0.083 RESID 94 (S): H 7.977 7.977 7.766 0.210 RESID 95 (V): N 121.854 121.854 118.056 3.798 RESID 95 (V): C 176.220 176.220 176.555 -0.335 RESID 95 (V): CA 64.629 64.629 65.366 -0.737 RESID 95 (V): CB 31.328 31.328 30.900 0.428 RESID 95 (V): H 7.581 7.581 7.854 -0.273 RESID 96 (R): N 121.329 121.329 117.199 4.130 RESID 96 (R): C 176.814 176.814 177.109 -0.295 RESID 96 (R): CA 58.636 58.636 57.525 1.111 RESID 96 (R): CB 30.672 30.672 29.566 1.106 RESID 96 (R): H 7.936 7.936 7.267 0.669 RESID 97 (I): N 119.194 119.194 118.291 0.903 RESID 97 (I): C 177.152 177.152 176.250 0.902 RESID 97 (I): CA 63.296 63.296 62.103 1.193 RESID 97 (I): CB 38.757 38.757 38.496 0.261 RESID 97 (I): H 7.802 7.802 7.475 0.327 RESID 98 (G): N 109.857 109.857 107.713 2.144 RESID 98 (G): C 176.064 176.064 174.936 1.128 RESID 98 (G): CA 46.941 46.941 46.122 0.819 RESID 98 (G): H 8.127 8.127 7.638 0.489 RESID 99 (L): N 123.258 123.258 123.329 -0.071 RESID 99 (L): C 177.856 177.856 178.695 -0.839 RESID 99 (L): CA 58.264 58.264 56.629 1.635 RESID 99 (L): CB 42.488 42.488 41.847 0.641 RESID 99 (L): H 8.223 8.223 8.128 0.095 RESID 100 (Y): N 119.770 119.770 120.630 -0.860 RESID 100 (Y): C 176.997 176.997 176.837 0.160 RESID 100 (Y): CA 61.592 61.592 61.355 0.237 RESID 100 (Y): CB 38.809 38.809 38.718 0.091 RESID 100 (Y): H 8.207 8.207 7.805 0.402 RESID 101 (D): N 118.460 118.460 117.163 1.297 RESID 101 (D): C 178.939 178.939 178.082 0.857 RESID 101 (D): CA 57.797 57.797 56.701 1.096 RESID 101 (D): CB 40.498 40.498 40.746 -0.248 RESID 101 (D): H 8.401 8.401 8.596 -0.195 RESID 102 (S): N 116.022 116.022 115.381 0.641 RESID 102 (S): C 176.005 176.005 176.476 -0.471 RESID 102 (S): CA 62.791 62.791 61.633 1.159 RESID 102 (S): CB 64.211 64.211 63.087 1.124 RESID 102 (S): H 7.854 7.854 7.701 0.153 RESID 103 (V): N 120.844 120.844 120.322 0.522 RESID 103 (V): C 177.307 177.307 177.499 -0.192 RESID 103 (V): CA 66.510 66.510 64.754 1.756 RESID 103 (V): CB 31.965 31.965 31.368 0.597 RESID 103 (V): H 7.926 7.926 7.324 0.602 RESID 104 (K): N 120.468 120.468 119.386 1.082 RESID 104 (K): C 178.861 178.861 178.836 0.025 RESID 104 (K): CA 60.184 60.184 59.101 1.083 RESID 104 (K): CB 31.979 31.979 31.646 0.333 RESID 104 (K): H 8.127 8.127 7.651 0.476 RESID 105 (Q): N 118.386 118.386 117.243 1.143 RESID 105 (Q): C 177.540 177.540 177.417 0.123 RESID 105 (Q): CA 58.786 58.786 57.331 1.455 RESID 105 (Q): CB 28.377 28.377 28.777 -0.400 RESID 105 (Q): H 7.841 7.841 7.653 0.188 RESID 106 (F): N 119.471 119.471 118.062 1.409 RESID 106 (F): C 176.531 176.531 175.313 1.218 RESID 106 (F): CA 60.593 60.593 59.686 0.907 RESID 106 (F): CB 39.459 39.459 39.190 0.269 RESID 106 (F): H 7.772 7.772 7.524 0.248 RESID 107 (Y): N 118.288 118.288 115.048 3.240 RESID 107 (Y): C 176.220 176.220 177.019 -0.799 RESID 107 (Y): CA 60.543 60.543 58.402 2.141 RESID 107 (Y): CB 38.819 38.819 40.274 -1.455 RESID 107 (Y): H 8.045 8.045 7.287 0.758 RESID 108 (T): N 113.383 113.383 110.400 2.983 RESID 108 (T): C 175.288 175.288 176.061 -0.773 RESID 108 (T): CA 64.094 64.094 61.638 2.456 RESID 108 (T): CB 69.986 69.986 68.234 1.752 RESID 108 (T): H 7.868 7.868 7.942 -0.074 RESID 113 (H): C 173.413 173.413 174.476 -1.063 RESID 113 (H): H 7.968 7.968 8.543 -0.575 RESID 114 (A): N 119.456 119.456 122.644 -3.188 RESID 114 (A): C 177.851 177.851 176.286 1.565 RESID 114 (A): CA 53.283 53.283 52.540 0.743 RESID 114 (A): CB 19.362 19.362 19.080 0.282 RESID 114 (A): H 8.433 8.433 7.971 0.462 RESID 115 (G): N 108.484 108.484 105.262 3.222 RESID 115 (G): C 174.822 174.822 175.000 -0.178 RESID 115 (G): CA 45.968 45.968 45.211 0.757 RESID 115 (G): H 8.250 8.250 8.143 0.107 RESID 116 (I): N 121.139 121.139 121.728 -0.589 RESID 116 (I): C 176.841 176.841 177.193 -0.352 RESID 116 (I): CA 63.160 63.160 63.872 -0.712 RESID 116 (I): CB 38.853 38.853 37.630 1.222 RESID 116 (I): H 8.127 8.127 8.218 -0.091 RESID 117 (G): N 110.863 110.863 106.975 3.888 RESID 117 (G): C 174.588 174.588 176.336 -1.748 RESID 117 (G): CA 46.791 46.791 47.332 -0.541 RESID 117 (G): H 8.509 8.509 8.416 0.092 RESID 118 (S): N 116.069 116.069 118.181 -2.112 RESID 118 (S): C 175.754 175.754 176.969 -1.215 RESID 118 (S): CA 60.319 60.319 61.177 -0.858 RESID 118 (S): CB 63.864 63.864 62.869 0.995 RESID 118 (S): H 7.991 7.991 8.001 -0.010 RESID 119 (R): N 122.134 122.134 120.669 1.465 RESID 119 (R): C 178.228 178.228 178.813 -0.585 RESID 119 (R): CA 57.787 57.787 58.801 -1.014 RESID 119 (R): CB 30.549 30.549 29.781 0.768 RESID 119 (R): H 7.963 7.963 8.666 -0.703 RESID 120 (L): N 120.403 120.403 120.593 -0.190 RESID 120 (L): C 177.230 177.230 179.364 -2.134 RESID 120 (L): CA 57.967 57.967 58.146 -0.179 RESID 120 (L): CB 42.146 42.146 41.568 0.578 RESID 120 (L): H 7.914 7.914 7.877 0.037 RESID 121 (L): N 118.960 118.960 120.793 -1.833 RESID 121 (L): C 177.152 177.152 178.477 -1.325 RESID 121 (L): CA 55.495 55.495 58.053 -2.558 RESID 121 (L): CB 42.238 42.238 41.760 0.478 RESID 121 (L): H 7.718 7.718 8.511 -0.793 RESID 122 (A): N 123.063 123.063 121.168 1.895 RESID 122 (A): C 178.317 178.317 179.885 -1.568 RESID 122 (A): CA 53.358 53.358 55.754 -2.396 RESID 122 (A): CB 19.218 19.218 18.236 0.982 RESID 122 (A): H 7.745 7.745 9.122 -1.377 RESID 123 (G): N 107.843 107.843 106.813 1.030 RESID 123 (G): C 176.912 176.912 176.562 0.350 RESID 123 (G): CA 45.943 45.943 47.097 -1.155 RESID 123 (G): H 8.113 8.113 8.937 -0.824 RESID 124 (S): N 116.105 116.105 118.183 -2.078 RESID 124 (S): C 175.574 175.574 176.748 -1.174 RESID 124 (S): CA 59.145 59.145 61.832 -2.687 RESID 124 (S): CB 64.211 64.211 63.172 1.039 RESID 124 (S): H 8.109 8.109 8.556 -0.447 RESID 125 (T): N 116.069 116.069 118.273 -2.204 RESID 125 (T): C 176.055 176.055 176.824 -0.769 RESID 125 (T): CA 66.921 66.921 66.609 0.312 RESID 125 (T): CB 69.682 69.682 68.908 0.774 RESID 125 (T): H 8.086 8.086 8.481 -0.395 RESID 126 (T): N 115.439 115.439 116.126 -0.687 RESID 126 (T): C 177.443 177.443 176.776 0.667 RESID 126 (T): CA 65.285 65.285 66.048 -0.763 RESID 126 (T): CB 68.364 68.364 67.921 0.443 RESID 126 (T): H 7.977 7.977 8.666 -0.689 RESID 127 (G): N 115.453 115.453 109.286 6.167 RESID 127 (G): C 174.215 174.215 175.182 -0.967 RESID 127 (G): CA 46.117 46.117 46.654 -0.537 RESID 127 (G): H 8.168 8.168 8.266 -0.098 RESID 128 (A): N 123.952 123.952 124.602 -0.650 RESID 128 (A): C 178.162 178.162 179.291 -1.129 RESID 128 (A): CA 53.349 53.349 54.799 -1.450 RESID 128 (A): CB 19.099 19.099 18.502 0.597 RESID 128 (A): H 7.919 7.919 7.537 0.382 RESID 129 (L): N 120.025 120.025 119.281 0.744 RESID 129 (L): C 177.949 177.949 178.852 -0.903 RESID 129 (L): CA 56.019 56.019 57.065 -1.046 RESID 129 (L): CB 42.340 42.340 40.876 1.464 RESID 129 (L): H 7.936 7.936 7.763 0.173 RESID 130 (A): N 123.402 123.402 121.191 2.211 RESID 130 (A): C 177.929 177.929 179.673 -1.744 RESID 130 (A): CA 53.283 53.283 55.227 -1.944 RESID 130 (A): CB 18.964 18.964 18.413 0.551 RESID 130 (A): H 7.868 7.868 8.267 -0.399 RESID 131 (V): N 118.111 118.111 115.202 2.909 RESID 131 (V): C 176.025 176.025 177.331 -1.306 RESID 131 (V): CA 63.180 63.180 64.712 -1.532 RESID 131 (V): CB 32.898 32.898 30.339 2.559 RESID 131 (V): H 7.636 7.636 7.999 -0.363 RESID 132 (A): N 124.047 124.047 122.984 1.063 RESID 132 (A): C 179.008 179.008 178.597 0.411 RESID 132 (A): CA 53.707 53.707 54.463 -0.756 RESID 132 (A): CB 19.150 19.150 18.716 0.434 RESID 132 (A): H 7.911 7.911 7.575 0.336 RESID 133 (V): N 113.349 113.349 117.539 -4.190 RESID 133 (V): C 175.527 175.527 175.780 -0.253 RESID 133 (V): CA 64.115 64.115 63.303 0.811 RESID 133 (V): CB 31.832 31.832 32.600 -0.768 RESID 133 (V): H 7.094 7.094 7.517 -0.423 RESID 134 (A): N 123.224 123.224 119.728 3.496 RESID 134 (A): CA 55.493 55.493 51.537 3.956 RESID 134 (A): H 7.586 7.586 7.448 0.138 RESID 136 (P): C 177.074 177.074 178.594 -1.520 RESID 137 (T): N 113.281 113.281 113.747 -0.466 RESID 137 (T): C 174.485 174.485 176.572 -2.087 RESID 137 (T): CA 64.496 64.496 66.847 -2.351 RESID 137 (T): CB 69.997 69.997 68.343 1.654 RESID 137 (T): H 7.963 7.963 8.160 -0.197 RESID 138 (D): N 122.770 122.770 121.579 1.191 RESID 138 (D): C 178.458 178.458 178.717 -0.259 RESID 138 (D): CA 56.776 56.776 57.394 -0.618 RESID 138 (D): CB 41.023 41.023 40.483 0.540 RESID 138 (D): H 8.094 8.094 7.713 0.381 RESID 139 (V): N 119.931 119.931 116.938 2.993 RESID 139 (V): C 177.502 177.502 177.811 -0.309 RESID 139 (V): CA 66.455 66.455 65.948 0.507 RESID 139 (V): CB 32.804 32.804 31.630 1.174 RESID 139 (V): H 7.753 7.753 7.669 0.084 RESID 140 (V): N 120.539 120.539 120.786 -0.247 RESID 140 (V): C 176.232 176.232 177.607 -1.375 RESID 140 (V): CA 66.770 66.770 66.410 0.360 RESID 140 (V): CB 32.086 32.086 31.677 0.409 RESID 140 (V): H 8.295 8.295 7.894 0.401 RESID 141 (K): N 120.122 120.122 119.877 0.245 RESID 141 (K): C 176.120 176.120 178.981 -2.861 RESID 141 (K): CA 55.991 55.991 60.175 -4.184 RESID 141 (K): CB 31.712 31.712 32.039 -0.327 RESID 141 (K): H 7.698 7.698 7.579 0.119 RESID 142 (V): N 120.104 120.104 119.558 0.546 RESID 142 (V): CA 63.230 63.230 66.152 -2.922 RESID 142 (V): H 7.772 7.772 7.541 0.231 RESID 143 (R): C 178.401 178.401 178.804 -0.403 RESID 143 (R): H 7.999 7.999 7.710 0.289 RESID 144 (F): N 120.445 120.445 119.689 0.756 RESID 144 (F): C 177.856 177.856 176.375 1.481 RESID 144 (F): CA 61.438 61.438 61.074 0.364 RESID 144 (F): H 8.395 8.395 8.783 -0.388 RESID 145 (Q): N 124.180 124.180 118.079 6.101 RESID 145 (Q): C 174.844 174.844 177.385 -2.541 RESID 145 (Q): CA 56.414 56.414 58.111 -1.697 RESID 145 (Q): CB 30.721 30.721 29.102 1.619 RESID 145 (Q): H 8.094 8.094 7.850 0.244 RESID 146 (A): N 120.452 120.452 120.288 0.164 RESID 146 (A): C 177.929 177.929 177.591 0.338 RESID 146 (A): CA 53.483 53.483 53.278 0.205 RESID 146 (A): CB 18.431 18.431 18.953 -0.522 RESID 146 (A): H 7.939 7.939 7.413 0.525 RESID 147 (Q): N 119.388 119.388 118.449 0.939 RESID 147 (Q): C 176.029 176.029 175.139 0.890 RESID 147 (Q): CA 56.339 56.339 56.404 -0.064 RESID 147 (Q): CB 29.444 29.444 28.348 1.096 RESID 147 (Q): H 8.072 8.072 7.503 0.569 RESID 148 (A): N 125.199 125.199 126.689 -1.490 RESID 148 (A): C 177.766 177.766 176.872 0.894 RESID 148 (A): CA 53.108 53.108 52.112 0.996 RESID 148 (A): CB 19.151 19.151 19.333 -0.182 RESID 148 (A): H 8.055 8.055 8.441 -0.386 RESID 149 (R): N 120.208 120.208 118.443 1.765 RESID 149 (R): CA 56.414 56.414 56.001 0.413 RESID 149 (R): CB 30.749 30.749 31.974 -1.225 RESID 149 (R): H 8.018 8.018 7.548 0.470 RESID 159 (T): C 175.928 175.928 176.211 -0.283 RESID 160 (V): N 118.321 118.321 120.929 -2.608 RESID 160 (V): C 177.749 177.749 177.784 -0.035 RESID 160 (V): CA 64.126 64.126 66.400 -2.274 RESID 160 (V): CB 31.343 31.343 31.580 -0.237 RESID 160 (V): H 8.073 8.073 7.755 0.318 RESID 161 (E): N 122.379 122.379 119.314 3.065 RESID 161 (E): C 178.783 178.783 178.302 0.481 RESID 161 (E): CA 59.550 59.550 59.461 0.090 RESID 161 (E): CB 29.597 29.597 28.690 0.907 RESID 161 (E): H 8.204 8.204 8.296 -0.092 RESID 162 (A): N 122.845 122.845 123.533 -0.688 RESID 162 (A): C 179.948 179.948 179.488 0.460 RESID 162 (A): CA 55.181 55.181 55.293 -0.112 RESID 162 (A): CB 18.154 18.154 18.621 -0.467 RESID 162 (A): H 7.786 7.786 8.560 -0.774 RESID 163 (Y): N 118.902 118.902 119.313 -0.411 RESID 163 (Y): C 177.273 177.273 178.200 -0.927 RESID 163 (Y): CA 61.068 61.068 62.032 -0.964 RESID 163 (Y): CB 37.898 37.898 38.733 -0.835 RESID 163 (Y): H 7.922 7.922 8.116 -0.194 RESID 164 (K): N 119.939 119.939 117.549 2.390 RESID 164 (K): C 178.239 178.239 179.255 -1.016 RESID 164 (K): CA 60.309 60.309 59.066 1.243 RESID 164 (K): CB 32.504 32.504 32.073 0.431 RESID 164 (K): H 8.223 8.223 7.536 0.687 RESID 165 (T): N 115.262 115.262 115.240 0.022 RESID 165 (T): C 175.676 175.676 176.596 -0.920 RESID 165 (T): CA 66.516 66.516 65.774 0.742 RESID 165 (T): CB 69.367 69.367 68.710 0.657 RESID 165 (T): H 7.745 7.745 7.930 -0.185 RESID 166 (I): N 121.571 121.571 117.280 4.291 RESID 166 (I): C 177.307 177.307 177.179 0.128 RESID 166 (I): CA 64.634 64.634 64.721 -0.087 RESID 166 (I): CB 38.896 38.896 36.946 1.950 RESID 166 (I): H 7.540 7.540 7.372 0.168 RESID 167 (A): N 121.983 121.983 123.527 -1.544 RESID 167 (A): C 178.395 178.395 179.990 -1.595 RESID 167 (A): CA 54.656 54.656 54.644 0.012 RESID 167 (A): CB 18.486 18.486 18.105 0.381 RESID 167 (A): H 8.059 8.059 7.749 0.310 RESID 168 (R): N 116.369 116.369 119.139 -2.770 RESID 168 (R): C 177.307 177.307 178.421 -1.114 RESID 168 (R): CA 58.486 58.486 58.770 -0.284 RESID 168 (R): CB 30.930 30.930 30.116 0.814 RESID 168 (R): H 7.690 7.690 7.783 -0.093 RESID 169 (E): N 118.667 118.667 117.784 0.883 RESID 169 (E): C 177.696 177.696 178.455 -0.759 RESID 169 (E): CA 58.212 58.212 58.488 -0.276 RESID 169 (E): CB 30.357 30.357 30.048 0.309 RESID 169 (E): H 8.045 8.045 7.774 0.271 RESID 170 (E): N 118.202 118.202 117.620 0.582 RESID 170 (E): C 177.878 177.878 177.054 0.824 RESID 170 (E): CA 57.363 57.363 57.077 0.286 RESID 170 (E): CB 31.277 31.277 30.925 0.352 RESID 170 (E): H 8.550 8.550 8.308 0.242 RESID 171 (G): N 108.941 108.941 107.190 1.751 RESID 171 (G): C 174.433 174.433 174.780 -0.347 RESID 171 (G): CA 45.193 45.193 44.561 0.632 RESID 171 (G): H 7.881 7.881 7.699 0.182 RESID 172 (I): N 120.842 120.842 121.264 -0.422 RESID 172 (I): C 176.997 176.997 177.704 -0.707 RESID 172 (I): CA 63.810 63.810 63.201 0.609 RESID 172 (I): CB 38.516 38.516 37.000 1.516 RESID 172 (I): H 8.550 8.550 8.472 0.078 RESID 173 (R): N 119.480 119.480 118.792 0.688 RESID 173 (R): C 178.084 178.084 178.816 -0.732 RESID 173 (R): CA 58.711 58.711 58.653 0.058 RESID 173 (R): CB 29.796 29.796 29.260 0.536 RESID 173 (R): H 8.277 8.277 8.537 -0.260 RESID 174 (G): N 106.379 106.379 106.566 -0.187 RESID 174 (G): C 175.210 175.210 176.227 -1.017 RESID 174 (G): CA 46.767 46.767 46.464 0.303 RESID 174 (G): H 7.690 7.690 7.843 -0.153 RESID 175 (L): N 120.664 120.664 121.698 -1.034 RESID 175 (L): C 177.971 177.971 178.933 -0.962 RESID 175 (L): CA 57.104 57.104 56.675 0.429 RESID 175 (L): CB 42.559 42.559 42.339 0.220 RESID 175 (L): H 7.554 7.554 7.203 0.351 RESID 176 (W): N 117.031 117.031 118.578 -1.547 RESID 176 (W): C 176.987 176.987 177.234 -0.247 RESID 176 (W): CA 57.672 57.672 59.057 -1.385 RESID 176 (W): CB 29.796 29.796 28.770 1.026 RESID 176 (W): H 7.499 7.499 8.122 -0.623 RESID 177 (K): N 120.567 120.567 119.083 1.484 RESID 177 (K): C 177.152 177.152 177.569 -0.417 RESID 177 (K): CA 57.712 57.712 59.687 -1.975 RESID 177 (K): CB 32.890 32.890 32.167 0.723 RESID 177 (K): H 7.595 7.595 7.381 0.214 RESID 178 (G): N 108.667 108.667 103.712 4.955 RESID 178 (G): C 174.045 174.045 175.702 -1.657 RESID 178 (G): CA 45.893 45.893 45.544 0.349 RESID 178 (G): H 7.881 7.881 7.966 -0.085 RESID 179 (T): N 115.080 115.080 116.736 -1.656 RESID 179 (T): C 175.192 175.192 176.219 -1.027 RESID 179 (T): CA 66.521 66.521 66.323 0.198 RESID 179 (T): CB 70.079 70.079 67.465 2.614 RESID 179 (T): H 7.622 7.622 7.633 -0.011 RESID 180 (S): N 117.754 117.754 117.241 0.513 RESID 180 (S): CA 63.123 63.123 63.936 -0.813 RESID 180 (S): CB 62.045 62.045 61.730 0.314 RESID 180 (S): H 8.195 8.195 7.721 0.474 RESID 182 (N): C 177.348 177.348 177.749 -0.401 RESID 183 (V): N 118.118 118.118 120.141 -2.023 RESID 183 (V): C 176.944 176.944 177.424 -0.480 RESID 183 (V): CA 65.244 65.244 66.374 -1.130 RESID 183 (V): CB 32.508 32.508 31.687 0.821 RESID 183 (V): H 7.861 7.861 7.749 0.112 RESID 184 (A): N 122.284 122.284 121.548 0.736 RESID 184 (A): C 178.317 178.317 179.097 -0.780 RESID 184 (A): CA 55.339 55.339 55.208 0.131 RESID 184 (A): CB 28.230 28.230 18.097 10.133 RESID 184 (A): H 8.097 8.097 7.545 0.552 RESID 185 (R): N 117.321 117.321 119.227 -1.906 RESID 185 (R): C 177.527 177.527 178.119 -0.592 RESID 185 (R): CA 59.543 59.543 59.741 -0.198 RESID 185 (R): CB 29.767 29.767 30.166 -0.399 RESID 185 (R): H 7.611 7.611 8.171 -0.560 RESID 186 (N): N 117.294 117.294 117.678 -0.384 RESID 186 (N): C 176.599 176.599 177.172 -0.573 RESID 186 (N): CA 56.659 56.659 56.241 0.418 RESID 186 (N): CB 39.454 39.454 38.046 1.408 RESID 186 (N): H 8.048 8.048 7.750 0.298 RESID 187 (A): N 121.003 121.003 122.420 -1.417 RESID 187 (A): C 178.713 178.713 179.785 -1.072 RESID 187 (A): CA 55.520 55.520 54.899 0.621 RESID 187 (A): CB 18.097 18.097 18.712 -0.615 RESID 187 (A): H 7.322 7.322 7.500 -0.178 RESID 188 (I): N 119.319 119.319 119.338 -0.019 RESID 188 (I): C 176.634 176.634 177.841 -1.207 RESID 188 (I): CA 64.225 64.225 65.394 -1.169 RESID 188 (I): CB 37.658 37.658 37.985 -0.327 RESID 188 (I): H 7.779 7.779 8.349 -0.570 RESID 189 (V): N 117.265 117.265 120.181 -2.916 RESID 189 (V): C 177.529 177.529 177.350 0.179 RESID 189 (V): CA 65.562 65.562 67.096 -1.534 RESID 189 (V): CB 31.407 31.407 31.889 -0.482 RESID 189 (V): H 7.776 7.776 8.158 -0.382 RESID 190 (N): N 118.736 118.736 118.043 0.693 RESID 190 (N): C 176.476 176.476 177.300 -0.824 RESID 190 (N): CA 56.813 56.813 57.343 -0.530 RESID 190 (N): CB 38.268 38.268 38.025 0.243 RESID 190 (N): H 7.800 7.800 7.735 0.065 RESID 191 (C): N 120.152 120.152 119.479 0.673 RESID 191 (C): C 175.831 175.831 176.099 -0.268 RESID 191 (C): CA 60.293 60.293 63.469 -3.176 RESID 191 (C): CB 41.566 41.566 27.140 14.426 RESID 191 (C): H 7.784 7.784 8.042 -0.258 RESID 192 (A): N 121.963 121.963 121.481 0.482 RESID 192 (A): C 178.395 178.395 179.024 -0.629 RESID 192 (A): CA 55.280 55.280 55.093 0.187 RESID 192 (A): CB 18.008 18.008 18.054 -0.046 RESID 192 (A): H 8.141 8.141 8.585 -0.444 RESID 193 (E): N 114.548 114.548 120.474 -5.926 RESID 193 (E): C 176.764 176.764 178.819 -2.055 RESID 193 (E): CA 58.262 58.262 58.987 -0.725 RESID 193 (E): CB 29.342 29.342 29.536 -0.194 RESID 193 (E): H 7.595 7.595 8.438 -0.843 RESID 194 (L): N 117.659 117.659 120.807 -3.148 RESID 194 (L): C 176.904 176.904 178.833 -1.929 RESID 194 (L): CA 55.695 55.695 57.972 -2.277 RESID 194 (L): CB 41.655 41.655 42.035 -0.380 RESID 194 (L): H 7.459 7.459 7.871 -0.412 RESID 195 (V): N 117.842 117.842 114.450 3.392 RESID 195 (V): C 177.150 177.150 177.802 -0.652 RESID 195 (V): CA 64.054 64.054 66.217 -2.163 RESID 195 (V): CB 31.079 31.079 31.258 -0.179 RESID 195 (V): H 7.363 7.363 7.308 0.055 RESID 196 (T): N 122.439 122.439 114.801 7.638 RESID 196 (T): C 175.055 175.055 176.646 -1.591 RESID 196 (T): CA 65.500 65.500 65.771 -0.271 RESID 196 (T): CB 69.490 69.490 68.963 0.527 RESID 196 (T): H 7.940 7.940 7.734 0.206 RESID 197 (Y): N 122.430 122.430 122.847 -0.417 RESID 197 (Y): C 177.152 177.152 177.156 -0.004 RESID 197 (Y): CA 61.892 61.892 61.688 0.203 RESID 197 (Y): CB 38.085 38.085 38.469 -0.384 RESID 197 (Y): H 9.123 9.123 8.697 0.426 RESID 198 (D): N 117.750 117.750 119.145 -1.395 RESID 198 (D): C 177.696 177.696 178.255 -0.559 RESID 198 (D): CA 57.822 57.822 57.141 0.681 RESID 198 (D): CB 40.500 40.500 40.626 -0.126 RESID 198 (D): H 8.263 8.263 7.940 0.323 RESID 199 (L): N 120.698 120.698 118.054 2.644 RESID 199 (L): C 180.104 180.104 178.309 1.795 RESID 199 (L): CA 58.092 58.092 57.407 0.685 RESID 199 (L): CB 42.559 42.559 41.607 0.952 RESID 199 (L): H 7.636 7.636 7.172 0.464 RESID 200 (I): N 121.136 121.136 119.173 1.963 RESID 200 (I): C 176.919 176.919 178.586 -1.667 RESID 200 (I): CA 65.482 65.482 64.736 0.746 RESID 200 (I): CB 37.949 37.949 37.193 0.756 RESID 200 (I): H 7.718 7.718 7.224 0.494 RESID 201 (K): N 120.587 120.587 119.211 1.376 RESID 201 (K): C 177.696 177.696 178.593 -0.897 RESID 201 (K): CA 60.683 60.683 59.421 1.262 RESID 201 (K): CB 31.809 31.809 32.022 -0.213 RESID 201 (K): H 8.291 8.291 7.584 0.707 RESID 202 (D): N 117.936 117.936 116.875 1.061 RESID 202 (D): C 178.395 178.395 176.580 1.815 RESID 202 (D): CA 57.672 57.672 56.405 1.267 RESID 202 (D): CB 41.355 41.355 41.144 0.211 RESID 202 (D): H 8.182 8.182 7.702 0.480 RESID 203 (T): N 115.914 115.914 113.276 2.638 RESID 203 (T): CA 61.190 61.190 61.871 -0.681 RESID 203 (T): CB 68.738 68.738 69.356 -0.618 RESID 203 (T): H 7.690 7.690 7.489 0.201 RESID 204 (L): C 176.047 176.047 175.173 0.874 RESID 204 (L): H 8.051 8.051 8.794 -0.743 RESID 205 (L): N 118.768 118.768 117.732 1.036 RESID 205 (L): C 179.871 179.871 175.442 4.429 RESID 205 (L): CA 55.867 55.867 54.680 1.187 RESID 205 (L): CB 41.887 41.887 41.867 0.020 RESID 205 (L): H 7.977 7.977 7.648 0.329 RESID 206 (K): N 119.775 119.775 121.473 -1.698 RESID 206 (K): C 177.318 177.318 176.114 1.204 RESID 206 (K): CA 58.461 58.461 56.691 1.770 RESID 206 (K): CB 32.734 32.734 32.994 -0.260 RESID 206 (K): H 7.677 7.677 8.255 -0.578 RESID 207 (A): N 120.757 120.757 121.065 -0.308 RESID 207 (A): C 176.531 176.531 176.125 0.406 RESID 207 (A): CA 53.083 53.083 52.261 0.822 RESID 207 (A): CB 18.960 18.960 18.822 0.138 RESID 207 (A): H 7.565 7.565 7.774 -0.209 RESID 208 (N): N 115.463 115.463 117.566 -2.103 RESID 208 (N): C 174.822 174.822 175.026 -0.204 RESID 208 (N): CA 54.351 54.351 53.710 0.641 RESID 208 (N): CB 38.160 38.160 37.473 0.687 RESID 208 (N): H 7.936 7.936 8.117 -0.181 RESID 212 (D): C 174.735 174.735 175.688 -0.953 RESID 213 (D): N 116.363 116.363 123.758 -7.395 RESID 213 (D): C 175.553 175.553 177.723 -2.170 RESID 213 (D): CA 54.890 54.890 54.623 0.267 RESID 213 (D): CB 38.846 38.846 39.236 -0.390 RESID 213 (D): H 8.129 8.129 8.638 -0.509 RESID 214 (L): N 119.486 119.486 122.208 -2.722 RESID 214 (L): CA 59.766 59.766 59.331 0.434 RESID 214 (L): CB 39.579 39.579 39.876 -0.297 RESID 214 (L): H 7.821 7.821 8.531 -0.710 RESID 215 (P): C 177.971 177.971 179.102 -1.131 RESID 215 (P): CA 65.938 65.938 65.643 0.295 RESID 215 (P): CB 30.006 30.006 30.710 -0.704 RESID 216 (C): N 114.211 114.211 115.711 -1.500 RESID 216 (C): C 176.142 176.142 176.676 -0.534 RESID 216 (C): CA 58.773 58.773 62.019 -3.246 RESID 216 (C): CB 40.906 40.906 27.438 13.468 RESID 216 (C): H 8.269 8.269 7.799 0.470 RESID 217 (H): N 120.491 120.491 120.126 0.365 RESID 217 (H): C 176.747 176.747 177.030 -0.283 RESID 217 (H): CA 57.198 57.198 58.918 -1.720 RESID 217 (H): CB 29.886 29.886 29.769 0.117 RESID 217 (H): H 7.301 7.301 7.565 -0.264 RESID 218 (F): N 120.501 120.501 119.549 0.952 RESID 218 (F): C 176.187 176.187 177.446 -1.259 RESID 218 (F): CA 59.045 59.045 62.087 -3.042 RESID 218 (F): CB 38.901 38.901 39.094 -0.193 RESID 218 (F): H 8.127 8.127 8.017 0.110 RESID 219 (T): N 112.682 112.682 115.105 -2.423 RESID 219 (T): C 175.997 175.997 176.593 -0.596 RESID 219 (T): CA 64.319 64.319 66.773 -2.454 RESID 219 (T): CB 63.282 63.282 68.596 -5.314 RESID 219 (T): H 7.977 7.977 7.770 0.207 RESID 220 (S): N 117.589 117.589 117.022 0.567 RESID 220 (S): C 175.055 175.055 176.452 -1.397 RESID 220 (S): CA 61.344 61.344 61.724 -0.380 RESID 220 (S): CB 63.440 63.440 63.209 0.231 RESID 220 (S): H 8.004 8.004 7.631 0.373 RESID 221 (A): N 123.860 123.860 124.661 -0.801 RESID 221 (A): C 177.618 177.618 179.000 -1.382 RESID 221 (A): CA 53.932 53.932 54.960 -1.028 RESID 221 (A): CB 18.891 18.891 18.176 0.715 RESID 221 (A): H 7.704 7.704 7.540 0.164 RESID 222 (F): N 116.073 116.073 119.560 -3.487 RESID 222 (F): C 176.142 176.142 177.421 -1.279 RESID 222 (F): CA 58.271 58.271 61.419 -3.148 RESID 222 (F): CB 39.554 39.554 39.093 0.461 RESID 222 (F): H 7.718 7.718 8.058 -0.340 RESID 223 (G): N 108.578 108.578 106.289 2.289 RESID 223 (G): C 173.889 173.889 175.536 -1.647 RESID 223 (G): CA 45.993 45.993 47.039 -1.046 RESID 223 (G): H 7.909 7.909 8.065 -0.156 RESID 224 (A): N 123.322 123.322 124.487 -1.165 RESID 224 (A): C 178.550 178.550 179.832 -1.282 RESID 224 (A): CA 53.608 53.608 54.730 -1.122 RESID 224 (A): CB 19.069 19.069 18.304 0.765 RESID 224 (A): H 8.018 8.018 7.884 0.134 RESID 225 (G): N 107.935 107.935 107.708 0.227 RESID 225 (G): C 175.389 175.389 176.153 -0.764 RESID 225 (G): CA 46.967 46.967 47.094 -0.127 RESID 225 (G): H 8.304 8.304 8.645 -0.341 RESID 226 (F): N 122.440 122.440 121.416 1.024 RESID 226 (F): C 176.998 176.998 177.669 -0.671 RESID 226 (F): CA 60.673 60.673 60.126 0.547 RESID 226 (F): CB 38.319 38.319 38.589 -0.270 RESID 226 (F): H 8.045 8.045 8.106 -0.061 RESID 227 (C): N 116.562 116.562 118.290 -1.728 RESID 227 (C): CA 61.301 61.301 62.397 -1.096 RESID 227 (C): CB 41.286 41.286 26.465 14.821 RESID 227 (C): H 8.016 8.016 7.743 0.273 RESID 228 (T): C 176.437 176.437 176.695 -0.258 RESID 228 (T): H 8.410 8.410 8.520 -0.110 RESID 229 (T): N 115.234 115.234 116.946 -1.712 RESID 229 (T): C 176.749 176.749 176.421 0.328 RESID 229 (T): CA 65.980 65.980 66.588 -0.608 RESID 229 (T): CB 67.443 67.443 68.584 -1.141 RESID 229 (T): H 8.188 8.188 8.317 -0.129 RESID 230 (V): N 120.723 120.723 119.439 1.284 RESID 230 (V): C 177.983 177.983 177.352 0.631 RESID 230 (V): CA 66.832 66.832 65.514 1.318 RESID 230 (V): CB 31.168 31.168 30.755 0.413 RESID 230 (V): H 8.027 8.027 7.474 0.553 RESID 231 (I): N 120.541 120.541 120.102 0.439 RESID 231 (I): C 177.368 177.368 177.552 -0.184 RESID 231 (I): CA 65.575 65.575 64.114 1.461 RESID 231 (I): CB 37.722 37.722 37.692 0.030 RESID 231 (I): H 8.458 8.458 7.234 1.224 RESID 232 (A): N 122.766 122.766 121.213 1.553 RESID 232 (A): C 178.847 178.847 179.337 -0.490 RESID 232 (A): CA 55.252 55.252 55.032 0.220 RESID 232 (A): CB 17.874 17.874 18.582 -0.708 RESID 232 (A): H 8.589 8.589 7.870 0.719 RESID 233 (S): N 113.387 113.387 114.676 -1.289 RESID 233 (S): CA 62.348 62.348 62.104 0.244 RESID 233 (S): CB 61.630 61.630 61.256 0.374 RESID 233 (S): H 8.218 8.218 8.176 0.042 RESID 234 (P): C 178.221 178.221 178.279 -0.058 RESID 235 (V): N 116.087 116.087 117.727 -1.640 RESID 235 (V): C 177.089 177.089 177.755 -0.666 RESID 235 (V): CA 65.072 65.072 66.051 -0.979 RESID 235 (V): CB 31.084 31.084 31.463 -0.379 RESID 235 (V): H 8.142 8.142 7.387 0.755 RESID 236 (D): N 121.556 121.556 120.098 1.458 RESID 236 (D): C 177.422 177.422 178.640 -1.218 RESID 236 (D): CA 57.135 57.135 56.828 0.307 RESID 236 (D): CB 40.065 40.065 39.843 0.222 RESID 236 (D): H 7.932 7.932 7.288 0.644 RESID 237 (V): N 117.233 117.233 120.728 -3.495 RESID 237 (V): CA 64.977 64.977 65.841 -0.864 RESID 237 (V): CB 31.013 31.013 32.042 -1.029 RESID 237 (V): H 7.710 7.710 7.843 -0.133 RESID 238 (V): C 177.584 177.584 177.999 -0.415 RESID 238 (V): H 7.607 7.607 7.567 0.040 RESID 239 (K): N 120.095 120.095 119.504 0.591 RESID 239 (K): C 178.678 178.678 178.488 0.190 RESID 239 (K): CA 58.483 58.483 58.825 -0.342 RESID 239 (K): CB 31.863 31.863 32.147 -0.284 RESID 239 (K): H 7.761 7.761 7.640 0.121 RESID 240 (T): N 115.247 115.247 114.073 1.174 RESID 240 (T): C 175.093 175.093 174.966 0.127 RESID 240 (T): CA 66.458 66.458 63.864 2.594 RESID 240 (T): CB 68.011 68.011 69.275 -1.264 RESID 240 (T): H 7.761 7.761 7.546 0.215 RESID 241 (R): N 119.633 119.633 121.163 -1.530 RESID 241 (R): CA 57.133 57.133 57.464 -0.331 RESID 241 (R): CB 31.218 31.218 29.981 1.237 RESID 241 (R): H 7.383 7.383 7.341 0.042 RESID 242 (Y): C 174.956 174.956 174.339 0.617 RESID 242 (Y): H 8.699 8.699 8.158 0.541 RESID 243 (M): N 118.458 118.458 121.972 -3.514 RESID 243 (M): C 175.676 175.676 175.096 0.580 RESID 243 (M): CA 54.417 54.417 57.209 -2.792 RESID 243 (M): H 7.442 7.442 8.830 -1.388 RESID 244 (N): N 116.369 116.369 118.678 -2.309 RESID 244 (N): C 174.919 174.919 174.776 0.143 RESID 244 (N): CA 59.470 59.470 52.989 6.481 RESID 244 (N): CB 39.079 39.079 39.266 -0.187 RESID 244 (N): H 7.772 7.772 8.395 -0.623 RESID 245 (S): N 114.568 114.568 114.651 -0.083 RESID 245 (S): C 175.695 175.695 172.437 3.258 RESID 245 (S): CA 53.852 53.852 58.377 -4.525 RESID 245 (S): CB 61.232 61.232 62.584 -1.352 RESID 245 (S): H 8.475 8.475 7.735 0.740 RESID 246 (A): N 127.283 127.283 122.065 5.218 RESID 246 (A): C 177.128 177.128 174.406 2.722 RESID 246 (A): CA 56.803 56.803 52.094 4.709 RESID 246 (A): CB 18.901 18.901 19.940 -1.039 RESID 246 (A): H 7.929 7.929 7.865 0.064 RESID 247 (L): N 118.112 118.112 120.423 -2.311 RESID 247 (L): C 176.723 176.723 176.967 -0.244 RESID 247 (L): CA 54.156 54.156 56.239 -2.083 RESID 247 (L): CB 41.215 41.215 41.127 0.088 RESID 247 (L): H 7.922 7.922 7.640 0.282 RESID 248 (G): N 107.203 107.203 111.151 -3.948 RESID 248 (G): CA 44.558 44.558 44.936 -0.378 RESID 248 (G): H 8.318 8.318 7.922 0.396 RESID 250 (Y): C 175.942 175.942 175.961 -0.019 RESID 250 (Y): H 8.134 8.134 8.549 -0.415 RESID 251 (H): N 123.281 123.281 117.568 5.713 RESID 251 (H): C 174.531 174.531 175.616 -1.085 RESID 251 (H): CA 58.931 58.931 58.101 0.830 RESID 251 (H): CB 29.525 29.525 30.435 -0.910 RESID 251 (H): H 8.184 8.184 7.869 0.315 RESID 252 (S): N 110.038 110.038 110.672 -0.634 RESID 252 (S): C 174.429 174.429 173.982 0.447 RESID 252 (S): CA 57.452 57.452 57.038 0.414 RESID 252 (S): CB 65.022 65.022 64.063 0.959 RESID 252 (S): H 8.010 8.010 7.805 0.205 RESID 253 (A): N 123.034 123.034 123.331 -0.297 RESID 253 (A): C 179.249 179.249 179.791 -0.542 RESID 253 (A): CA 54.981 54.981 54.526 0.455 RESID 253 (A): CB 19.069 19.069 19.006 0.063 RESID 253 (A): H 8.034 8.034 8.438 -0.404 RESID 254 (G): N 106.379 106.379 105.693 0.686 RESID 254 (G): C 174.433 174.433 175.562 -1.129 RESID 254 (G): CA 47.615 47.615 47.029 0.586 RESID 254 (G): H 8.427 8.427 8.498 -0.071 RESID 255 (H): N 121.119 121.119 122.078 -0.959 RESID 255 (H): C 178.084 178.084 177.185 0.899 RESID 255 (H): CA 60.144 60.144 59.547 0.597 RESID 255 (H): CB 33.073 33.073 29.691 3.382 RESID 255 (H): H 8.304 8.304 7.949 0.355 RESID 256 (C): N 117.946 117.946 117.173 0.773 RESID 256 (C): C 175.453 175.453 176.823 -1.370 RESID 256 (C): CA 58.668 58.668 62.949 -4.281 RESID 256 (C): CB 41.434 41.434 27.215 14.219 RESID 256 (C): H 8.168 8.168 7.875 0.293 RESID 257 (A): N 123.138 123.138 123.530 -0.392 RESID 257 (A): C 179.489 179.489 179.497 -0.008 RESID 257 (A): CA 54.589 54.589 55.026 -0.437 RESID 257 (A): CB 17.675 17.675 18.343 -0.668 RESID 257 (A): H 7.932 7.932 7.472 0.460 RESID 258 (L): N 119.779 119.779 118.416 1.363 RESID 258 (L): C 178.234 178.234 179.095 -0.861 RESID 258 (L): CA 56.967 56.967 58.217 -1.250 RESID 258 (L): CB 41.067 41.067 41.551 -0.484 RESID 258 (L): H 7.681 7.681 7.828 -0.147 RESID 259 (T): N 114.552 114.552 115.276 -0.724 RESID 259 (T): C 176.244 176.244 176.852 -0.608 RESID 259 (T): CA 66.511 66.511 66.526 -0.015 RESID 259 (T): CB 67.274 67.274 68.633 -1.359 RESID 259 (T): H 7.855 7.855 8.143 -0.288 RESID 260 (M): N 118.862 118.862 118.979 -0.117 RESID 260 (M): C 177.094 177.094 177.997 -0.903 RESID 260 (M): CA 58.532 58.532 58.147 0.385 RESID 260 (M): CB 32.288 32.288 32.135 0.153 RESID 260 (M): H 8.296 8.296 7.858 0.438 RESID 261 (L): N 116.839 116.839 118.274 -1.435 RESID 261 (L): C 178.162 178.162 179.218 -1.056 RESID 261 (L): CA 58.167 58.167 57.679 0.488 RESID 261 (L): CB 42.202 42.202 42.035 0.167 RESID 261 (L): H 8.053 8.053 7.580 0.473 RESID 262 (R): N 116.821 116.821 118.318 -1.497 RESID 262 (R): CA 58.761 58.761 58.625 0.136 RESID 262 (R): CB 30.825 30.825 30.457 0.368 RESID 262 (R): H 7.827 7.827 7.627 0.200 RESID 266 (P): C 177.152 177.152 177.897 -0.745 RESID 266 (P): CA 65.152 65.152 64.475 0.677 RESID 267 (R): N 117.739 117.739 117.226 0.513 RESID 267 (R): C 177.463 177.463 177.776 -0.313 RESID 267 (R): CA 59.335 59.335 58.487 0.848 RESID 267 (R): CB 30.185 30.185 28.847 1.338 RESID 267 (R): H 8.072 8.072 7.926 0.146 RESID 268 (A): N 121.709 121.709 121.854 -0.145 RESID 268 (A): C 179.251 179.251 178.266 0.985 RESID 268 (A): CA 54.631 54.631 54.661 -0.030 RESID 268 (A): CB 18.683 18.683 18.105 0.579 RESID 268 (A): H 7.963 7.963 7.979 -0.016 RESID 269 (F): N 117.096 117.096 116.158 0.938 RESID 269 (F): C 175.987 175.987 176.775 -0.788 RESID 269 (F): CA 61.037 61.037 61.436 -0.399 RESID 269 (F): CB 38.637 38.637 39.069 -0.432 RESID 269 (F): H 7.832 7.832 7.647 0.185 RESID 270 (Y): N 118.496 118.496 118.997 -0.501 RESID 270 (Y): C 176.250 176.250 176.637 -0.387 RESID 270 (Y): CA 60.116 60.116 60.086 0.030 RESID 270 (Y): CB 38.882 38.882 38.941 -0.059 RESID 270 (Y): H 7.813 7.813 7.558 0.255 RESID 271 (K): N 119.458 119.458 119.082 0.376 RESID 271 (K): C 177.696 177.696 176.300 1.396 RESID 271 (K): CA 57.192 57.192 56.879 0.313 RESID 271 (K): CB 32.734 32.734 32.696 0.038 RESID 271 (K): H 7.864 7.864 7.898 -0.034 RESID 272 (G): N 106.217 106.217 105.978 0.239 RESID 272 (G): C 173.967 173.967 173.408 0.559 RESID 272 (G): CA 46.117 46.117 45.296 0.821 RESID 272 (G): H 7.622 7.622 8.299 -0.677 RESID 273 (F): N 118.847 118.847 122.929 -4.082 RESID 273 (F): C 175.055 175.055 174.818 0.237 RESID 273 (F): CA 57.721 57.721 59.015 -1.294 RESID 273 (F): CB 40.183 40.183 39.613 0.570 RESID 273 (F): H 7.677 7.677 8.175 -0.498 RESID 277 (F): C 176.602 176.602 176.375 0.227 RESID 277 (F): CA 61.838 61.838 60.979 0.859 RESID 277 (F): CB 39.537 39.537 38.657 0.880 RESID 277 (F): H 7.695 7.695 7.899 -0.204 RESID 278 (L): N 118.465 118.465 118.699 -0.234 RESID 278 (L): C 177.152 177.152 178.957 -1.805 RESID 278 (L): CA 56.115 56.115 57.833 -1.718 RESID 278 (L): CB 42.398 42.398 41.413 0.985 RESID 278 (L): H 8.104 8.104 7.528 0.576 RESID 279 (R): N 118.749 118.749 118.739 0.010 RESID 279 (R): C 176.608 176.608 178.836 -2.228 RESID 279 (R): CA 56.938 56.938 58.643 -1.705 RESID 279 (R): CB 30.659 30.659 29.673 0.986 RESID 279 (R): H 7.472 7.472 7.612 -0.140 RESID 280 (L): N 120.305 120.305 120.148 0.157 RESID 280 (L): C 177.540 177.540 178.608 -1.068 RESID 280 (L): CA 57.094 57.094 58.258 -1.164 RESID 280 (L): CB 42.027 42.027 40.858 1.169 RESID 280 (L): H 7.690 7.690 7.923 -0.233 RESID 281 (G): N 106.837 106.837 107.152 -0.315 RESID 281 (G): C 174.045 174.045 175.965 -1.920 RESID 281 (G): CA 46.967 46.967 47.166 -0.199 RESID 281 (G): H 7.881 7.881 7.588 0.293 RESID 282 (S): N 115.531 115.531 118.907 -3.376 RESID 282 (S): C 174.123 174.123 176.214 -2.091 RESID 282 (S): CA 58.796 58.796 61.873 -3.077 RESID 282 (S): CB 58.975 58.975 63.142 -4.167 RESID 282 (S): H 7.813 7.813 7.458 0.355 RESID 283 (W): N 122.851 122.851 122.666 0.185 RESID 283 (W): C 176.142 176.142 177.351 -1.209 RESID 283 (W): CA 59.221 59.221 60.668 -1.447 RESID 283 (W): CB 30.446 30.446 29.519 0.927 RESID 283 (W): H 8.186 8.186 8.477 -0.291 RESID 284 (N): N 118.459 118.459 118.071 0.388 RESID 284 (N): CA 55.325 55.325 56.226 -0.901 RESID 284 (N): CB 39.504 39.504 38.515 0.989 RESID 284 (N): H 8.127 8.127 7.911 0.216 RESID 285 (V): C 177.263 177.263 177.541 -0.278 RESID 285 (V): H 7.854 7.854 7.489 0.365 RESID 286 (V): N 119.883 119.883 117.365 2.518 RESID 286 (V): C 177.072 177.072 177.520 -0.448 RESID 286 (V): CA 64.717 64.717 65.790 -1.072 RESID 286 (V): CB 29.553 29.553 30.785 -1.232 RESID 286 (V): H 7.483 7.483 7.302 0.181 RESID 287 (M): N 120.401 120.401 118.499 1.902 RESID 287 (M): C 177.594 177.594 178.729 -1.135 RESID 287 (M): CA 57.654 57.654 57.094 0.560 RESID 287 (M): CB 31.592 31.592 30.911 0.681 RESID 287 (M): H 8.118 8.118 7.072 1.046 RESID 288 (F): N 122.234 122.234 120.808 1.426 RESID 288 (F): C 176.498 176.498 177.449 -0.951 RESID 288 (F): CA 61.766 61.766 61.890 -0.124 RESID 288 (F): CB 39.031 39.031 39.024 0.007 RESID 288 (F): H 7.878 7.878 7.636 0.242 RESID 289 (V): N 118.907 118.907 115.766 3.141 RESID 289 (V): CA 64.566 64.566 66.799 -2.233 RESID 289 (V): CB 30.544 30.544 30.392 0.152 RESID 289 (V): H 7.913 7.913 7.710 0.203 RESID 290 (T): C 175.376 175.376 176.469 -1.093 RESID 290 (T): H 8.095 8.095 7.438 0.657 RESID 291 (Y): N 118.029 118.029 123.338 -5.309 RESID 291 (Y): C 176.919 176.919 177.096 -0.177 RESID 291 (Y): CA 61.717 61.717 61.637 0.080 RESID 291 (Y): CB 38.020 38.020 38.236 -0.216 RESID 291 (Y): H 7.986 7.986 7.695 0.291 RESID 292 (E): N 118.005 118.005 118.929 -0.924 RESID 292 (E): C 176.686 176.686 178.904 -2.218 RESID 292 (E): CA 60.084 60.084 59.762 0.322 RESID 292 (E): CB 29.443 29.443 29.184 0.259 RESID 292 (E): H 8.359 8.359 8.082 0.277 RESID 293 (Q): N 118.746 118.746 117.908 0.838 RESID 293 (Q): C 176.210 176.210 178.644 -2.434 RESID 293 (Q): CA 58.986 58.986 58.350 0.636 RESID 293 (Q): CB 28.784 28.784 28.494 0.290 RESID 293 (Q): H 7.704 7.704 7.529 0.175 RESID 294 (L): N 120.970 120.970 118.840 2.130 RESID 294 (L): C 178.084 178.084 178.240 -0.156 RESID 294 (L): CA 58.741 58.741 56.836 1.905 RESID 294 (L): CB 41.451 41.451 41.609 -0.158 RESID 294 (L): H 7.995 7.995 7.530 0.465 RESID 295 (K): N 117.756 117.756 117.066 0.690 RESID 295 (K): CA 59.048 59.048 58.435 0.613 RESID 295 (K): CB 31.871 31.871 33.055 -1.184 RESID 295 (K): H 7.731 7.731 7.674 0.057 RESID 296 (R): H 7.895 7.895 7.769 0.126 RESID 297 (A): C 176.488 176.488 178.288 -1.800 RESID 297 (A): H 8.223 8.223 8.400 -0.177 RESID 298 (L): N 117.376 117.376 121.109 -3.733 RESID 298 (L): C 178.628 178.628 178.080 0.548 RESID 298 (L): CA 58.217 58.217 57.119 1.098 RESID 298 (L): CB 41.905 41.905 41.898 0.007 RESID 298 (L): H 7.947 7.947 8.127 -0.180 RESID 299 (M): N 127.376 127.376 116.211 11.165 RESID 299 (M): C 178.472 178.472 174.751 3.721 RESID 299 (M): CA 58.461 58.461 56.315 2.146 RESID 299 (M): CB 32.110 32.110 30.881 1.229 RESID 299 (M): H 8.182 8.182 8.322 -0.140 RESID 300 (A): N 121.854 121.854 119.430 2.424 RESID 300 (A): C 180.197 180.197 176.153 4.044 RESID 300 (A): CA 55.617 55.617 52.532 3.084 RESID 300 (A): CB 18.215 18.215 20.002 -1.787 RESID 300 (A): H 7.841 7.841 7.778 0.063 RESID 301 (A): N 121.224 121.224 128.579 -7.355 RESID 301 (A): C 178.939 178.939 178.502 0.437 RESID 301 (A): CA 55.186 55.186 54.612 0.574 RESID 301 (A): CB 18.735 18.735 18.810 -0.075 RESID 301 (A): H 7.872 7.872 8.668 -0.796 RESID 302 (Y): N 118.183 118.183 119.775 -1.592 RESID 302 (Y): C 176.841 176.841 177.849 -1.008 RESID 302 (Y): CA 60.868 60.868 61.390 -0.522 RESID 302 (Y): CB 39.344 39.344 38.075 1.269 RESID 302 (Y): H 8.100 8.100 8.451 -0.351 RESID 303 (Q): N 117.243 117.243 118.220 -0.977 RESID 303 (Q): C 176.997 176.997 178.162 -1.165 RESID 303 (Q): CA 58.787 58.787 59.373 -0.586 RESID 303 (Q): CB 29.216 29.216 28.301 0.915 RESID 303 (Q): H 8.059 8.059 8.646 -0.587 RESID 304 (S): N 114.721 114.721 114.305 0.416 RESID 304 (S): C 174.511 174.511 176.190 -1.679 RESID 304 (S): CA 59.720 59.720 61.190 -1.470 RESID 304 (S): CB 63.896 63.896 63.097 0.799 RESID 304 (S): H 7.718 7.718 7.641 0.077 RESID 305 (R): N 121.401 121.401 119.581 1.820 RESID 305 (R): C 175.521 175.521 177.998 -2.477 RESID 305 (R): CA 59.639 59.639 58.732 0.907 RESID 305 (R): CB 30.568 30.568 30.371 0.197 RESID 305 (R): H 7.609 7.609 8.087 -0.478 RESID 306 (E): N 120.090 120.090 118.045 2.045 RESID 306 (E): C 177.648 177.648 178.738 -1.090 RESID 306 (E): CA 59.624 59.624 58.588 1.036 RESID 306 (E): CB 30.362 30.362 29.532 0.830 RESID 306 (E): H 7.909 7.909 7.677 0.232 RESID 307 (A): N 121.234 121.234 123.928 -2.694 RESID 307 (A): C 176.014 176.014 176.843 -0.829 RESID 307 (A): CA 56.844 56.844 55.017 1.827 RESID 307 (A): CB 17.735 17.735 17.132 0.603 RESID 307 (A): H 7.760 7.760 7.686 0.074 N HA C CA CB H RESID 16 (K): -0.123 ----- -2.021 1.122 1.008 -0.461 RESID 17 (F): 0.370 ----- -3.018 -1.104 1.550 0.101 RESID 18 (L): -0.748 ----- -1.130 -1.359 1.285 -0.234 RESID 19 (G): 0.714 ----- -0.605 -1.639 ----- -0.240 RESID 20 (A): 0.364 ----- -0.119 0.048 0.725 0.375 RESID 21 (G): 0.775 ----- -0.592 -0.717 ----- 0.400 RESID 22 (T): 0.762 ----- -0.344 -0.211 0.459 -0.450 RESID 23 (A): -0.328 ----- -0.405 0.471 0.245 0.736 RESID 24 (A): -0.745 ----- -0.299 -0.008 0.161 -0.570 RESID 25 (C): -0.482 ----- -1.051 -3.631 14.661 0.145 RESID 26 (I): 0.062 ----- -0.420 0.241 1.132 0.232 RESID 27 (A): -1.014 ----- 0.584 0.368 -0.174 0.073 RESID 28 (D): -0.726 ----- -0.955 -0.386 0.235 0.005 RESID 29 (L): -1.304 ----- -0.787 -1.262 1.031 0.226 RESID 30 (I): -3.820 ----- -0.293 -2.732 0.130 0.362 RESID 31 (T): -2.631 ----- -1.896 -1.575 -0.093 0.315 RESID 32 (F): -0.307 ----- ----- -6.696 2.157 -1.037 RESID 33 (P): ----- ----- 0.072 -2.605 3.627 ----- RESID 34 (L): 7.509 ----- -1.996 -2.358 1.570 1.336 RESID 35 (D): 3.508 ----- -0.925 -2.909 0.989 0.337 RESID 36 (T): 4.805 ----- 0.614 -0.630 0.211 0.241 RESID 37 (A): 0.930 ----- -0.297 0.132 0.243 0.192 RESID 38 (K): -0.859 ----- -0.939 0.098 0.785 0.222 RESID 39 (V): -1.339 ----- -0.054 0.016 2.950 -0.052 RESID 40 (R): 0.153 ----- -0.384 1.613 -0.031 0.310 RESID 41 (L): -2.537 ----- ----- -0.801 -0.481 -0.160 RESID 49 (G): ----- ----- -0.322 ----- ----- ----- RESID 50 (L): 4.294 ----- 0.757 -0.985 0.608 0.248 RESID 51 (V): -1.543 ----- -0.778 -0.240 -0.038 -0.066 RESID 52 (R): 3.346 ----- ----- 0.365 -0.432 0.351 RESID 53 (T): ----- ----- 0.697 ----- ----- 0.551 RESID 54 (A): -1.606 ----- -1.405 -1.123 -0.884 -0.112 RESID 55 (A): -11.674 ----- 0.547 -0.604 0.077 -1.247 RESID 56 (S): 12.023 ----- 0.860 1.986 0.044 0.161 RESID 57 (A): -3.558 ----- ----- 1.094 -0.131 -0.302 RESID 59 (Y): ----- ----- 0.875 ----- ----- ----- RESID 60 (R): 1.498 ----- 1.587 1.789 0.416 -0.468 RESID 61 (G): 1.061 ----- 0.420 1.121 ----- 0.079 RESID 62 (V): -0.625 ----- 0.127 1.904 0.363 -0.226 RESID 63 (L): 0.260 ----- -0.398 0.895 1.310 -0.171 RESID 64 (G): 0.172 ----- 0.226 0.391 ----- 0.333 RESID 65 (T): 4.040 ----- -0.151 1.523 0.699 0.370 RESID 66 (I): 0.543 ----- -0.478 1.177 0.426 0.577 RESID 67 (L): 1.321 ----- 0.763 -0.097 0.262 0.813 RESID 68 (T): -0.942 ----- 0.128 0.903 0.791 0.762 RESID 69 (M): 4.371 ----- -0.966 2.152 1.605 0.373 RESID 70 (V): 1.232 ----- -1.199 0.719 0.022 0.289 RESID 71 (R): 0.684 ----- -0.947 1.042 1.058 0.375 RESID 72 (T): -3.443 ----- -0.235 -1.296 1.171 0.076 RESID 73 (E): 2.105 ----- 1.706 0.658 -1.350 0.002 RESID 74 (G): 2.045 ----- ----- 0.786 ----- 0.373 RESID 75 (P): ----- ----- -1.239 1.142 -0.029 ----- RESID 76 (R): 1.152 ----- -0.506 1.666 0.259 -0.149 RESID 77 (S): 1.558 ----- 1.593 0.902 0.146 -0.227 RESID 78 (L): 1.708 ----- -0.326 0.862 0.172 0.180 RESID 79 (Y): 5.005 ----- -0.353 1.946 1.118 0.459 RESID 80 (N): 0.904 ----- 2.907 0.060 0.057 0.745 RESID 81 (G): 2.140 ----- 0.914 0.866 ----- 0.617 RESID 82 (L): 1.040 ----- 0.467 0.603 0.190 0.389 RESID 83 (V): 0.077 ----- 0.528 -1.751 0.949 0.050 RESID 84 (A): -0.548 ----- 1.159 0.621 0.031 0.456 RESID 85 (G): -0.934 ----- -0.655 0.549 ----- 0.361 RESID 86 (L): 0.135 ----- -0.717 -0.109 1.019 0.677 RESID 87 (Q): 0.219 ----- -0.665 -1.130 0.817 0.115 RESID 88 (R): -0.971 ----- -1.054 -1.239 1.120 0.041 RESID 89 (Q): -0.113 ----- -1.270 -1.883 0.691 0.263 RESID 90 (M): 0.265 ----- -2.352 -1.280 1.673 -0.292 RESID 91 (S): -0.393 ----- -0.542 -2.483 1.756 -0.086 RESID 92 (F): -0.332 ----- 0.629 -2.795 -0.206 0.789 RESID 93 (A): 3.179 ----- -0.610 0.305 -0.436 0.437 RESID 94 (S): -1.866 ----- -0.379 -0.840 0.083 0.210 RESID 95 (V): 3.798 ----- -0.335 -0.737 0.428 -0.273 RESID 96 (R): 4.130 ----- -0.295 1.111 1.106 0.669 RESID 97 (I): 0.903 ----- 0.902 1.193 0.261 0.327 RESID 98 (G): 2.144 ----- 1.128 0.819 ----- 0.489 RESID 99 (L): -0.071 ----- -0.839 1.635 0.641 0.095 RESID 100 (Y): -0.860 ----- 0.160 0.237 0.091 0.402 RESID 101 (D): 1.297 ----- 0.857 1.096 -0.248 -0.195 RESID 102 (S): 0.641 ----- -0.471 1.159 1.124 0.153 RESID 103 (V): 0.522 ----- -0.192 1.756 0.597 0.602 RESID 104 (K): 1.082 ----- 0.025 1.083 0.333 0.476 RESID 105 (Q): 1.143 ----- 0.123 1.455 -0.400 0.188 RESID 106 (F): 1.409 ----- 1.218 0.907 0.269 0.248 RESID 107 (Y): 3.240 ----- -0.799 2.141 -1.455 0.758 RESID 108 (T): 2.983 ----- -0.773 2.456 1.752 -0.074 RESID 113 (H): ----- ----- -1.063 ----- ----- -0.575 RESID 114 (A): -3.188 ----- 1.565 0.743 0.282 0.462 RESID 115 (G): 3.222 ----- -0.178 0.757 ----- 0.107 RESID 116 (I): -0.589 ----- -0.352 -0.712 1.222 -0.091 RESID 117 (G): 3.888 ----- -1.748 -0.541 ----- 0.092 RESID 118 (S): -2.112 ----- -1.215 -0.858 0.995 -0.010 RESID 119 (R): 1.465 ----- -0.585 -1.014 0.768 -0.703 RESID 120 (L): -0.190 ----- -2.134 -0.179 0.578 0.037 RESID 121 (L): -1.833 ----- -1.325 -2.558 0.478 -0.793 RESID 122 (A): 1.895 ----- -1.568 -2.396 0.982 -1.377 RESID 123 (G): 1.030 ----- 0.350 -1.155 ----- -0.824 RESID 124 (S): -2.078 ----- -1.174 -2.687 1.039 -0.447 RESID 125 (T): -2.204 ----- -0.769 0.312 0.774 -0.395 RESID 126 (T): -0.687 ----- 0.667 -0.763 0.443 -0.689 RESID 127 (G): 6.167 ----- -0.967 -0.537 ----- -0.098 RESID 128 (A): -0.650 ----- -1.129 -1.450 0.597 0.382 RESID 129 (L): 0.744 ----- -0.903 -1.046 1.464 0.173 RESID 130 (A): 2.211 ----- -1.744 -1.944 0.551 -0.399 RESID 131 (V): 2.909 ----- -1.306 -1.532 2.559 -0.363 RESID 132 (A): 1.063 ----- 0.411 -0.756 0.434 0.336 RESID 133 (V): -4.190 ----- -0.253 0.811 -0.768 -0.423 RESID 134 (A): 3.496 ----- ----- 3.956 ----- 0.138 RESID 136 (P): ----- ----- -1.520 ----- ----- ----- RESID 137 (T): -0.466 ----- -2.087 -2.351 1.654 -0.197 RESID 138 (D): 1.191 ----- -0.259 -0.618 0.540 0.381 RESID 139 (V): 2.993 ----- -0.309 0.507 1.174 0.084 RESID 140 (V): -0.247 ----- -1.375 0.360 0.409 0.401 RESID 141 (K): 0.245 ----- -2.861 -4.184 -0.327 0.119 RESID 142 (V): 0.546 ----- ----- -2.922 ----- 0.231 RESID 143 (R): ----- ----- -0.403 ----- ----- 0.289 RESID 144 (F): 0.756 ----- 1.481 0.364 ----- -0.388 RESID 145 (Q): 6.101 ----- -2.541 -1.697 1.619 0.244 RESID 146 (A): 0.164 ----- 0.338 0.205 -0.522 0.525 RESID 147 (Q): 0.939 ----- 0.890 -0.064 1.096 0.569 RESID 148 (A): -1.490 ----- 0.894 0.996 -0.182 -0.386 RESID 149 (R): 1.765 ----- ----- 0.413 -1.225 0.470 RESID 159 (T): ----- ----- -0.283 ----- ----- ----- RESID 160 (V): -2.608 ----- -0.035 -2.274 -0.237 0.318 RESID 161 (E): 3.065 ----- 0.481 0.090 0.907 -0.092 RESID 162 (A): -0.688 ----- 0.460 -0.112 -0.467 -0.774 RESID 163 (Y): -0.411 ----- -0.927 -0.964 -0.835 -0.194 RESID 164 (K): 2.390 ----- -1.016 1.243 0.431 0.687 RESID 165 (T): 0.022 ----- -0.920 0.742 0.657 -0.185 RESID 166 (I): 4.291 ----- 0.128 -0.087 1.950 0.168 RESID 167 (A): -1.544 ----- -1.595 0.012 0.381 0.310 RESID 168 (R): -2.770 ----- -1.114 -0.284 0.814 -0.093 RESID 169 (E): 0.883 ----- -0.759 -0.276 0.309 0.271 RESID 170 (E): 0.582 ----- 0.824 0.286 0.352 0.242 RESID 171 (G): 1.751 ----- -0.347 0.632 ----- 0.182 RESID 172 (I): -0.422 ----- -0.707 0.609 1.516 0.078 RESID 173 (R): 0.688 ----- -0.732 0.058 0.536 -0.260 RESID 174 (G): -0.187 ----- -1.017 0.303 ----- -0.153 RESID 175 (L): -1.034 ----- -0.962 0.429 0.220 0.351 RESID 176 (W): -1.547 ----- -0.247 -1.385 1.026 -0.623 RESID 177 (K): 1.484 ----- -0.417 -1.975 0.723 0.214 RESID 178 (G): 4.955 ----- -1.657 0.349 ----- -0.085 RESID 179 (T): -1.656 ----- -1.027 0.198 2.614 -0.011 RESID 180 (S): 0.513 ----- ----- -0.813 0.314 0.474 RESID 182 (N): ----- ----- -0.401 ----- ----- ----- RESID 183 (V): -2.023 ----- -0.480 -1.130 0.821 0.112 RESID 184 (A): 0.736 ----- -0.780 0.131 10.133 0.552 RESID 185 (R): -1.906 ----- -0.592 -0.198 -0.399 -0.560 RESID 186 (N): -0.384 ----- -0.573 0.418 1.408 0.298 RESID 187 (A): -1.417 ----- -1.072 0.621 -0.615 -0.178 RESID 188 (I): -0.019 ----- -1.207 -1.169 -0.327 -0.570 RESID 189 (V): -2.916 ----- 0.179 -1.534 -0.482 -0.382 RESID 190 (N): 0.693 ----- -0.824 -0.530 0.243 0.065 RESID 191 (C): 0.673 ----- -0.268 -3.176 14.426 -0.258 RESID 192 (A): 0.482 ----- -0.629 0.187 -0.046 -0.444 RESID 193 (E): -5.926 ----- -2.055 -0.725 -0.194 -0.843 RESID 194 (L): -3.148 ----- -1.929 -2.277 -0.380 -0.412 RESID 195 (V): 3.392 ----- -0.652 -2.163 -0.179 0.055 RESID 196 (T): 7.638 ----- -1.591 -0.271 0.527 0.206 RESID 197 (Y): -0.417 ----- -0.004 0.203 -0.384 0.426 RESID 198 (D): -1.395 ----- -0.559 0.681 -0.126 0.323 RESID 199 (L): 2.644 ----- 1.795 0.685 0.952 0.464 RESID 200 (I): 1.963 ----- -1.667 0.746 0.756 0.494 RESID 201 (K): 1.376 ----- -0.897 1.262 -0.213 0.707 RESID 202 (D): 1.061 ----- 1.815 1.267 0.211 0.480 RESID 203 (T): 2.638 ----- ----- -0.681 -0.618 0.201 RESID 204 (L): ----- ----- 0.874 ----- ----- -0.743 RESID 205 (L): 1.036 ----- 4.429 1.187 0.020 0.329 RESID 206 (K): -1.698 ----- 1.204 1.770 -0.260 -0.578 RESID 207 (A): -0.308 ----- 0.406 0.822 0.138 -0.209 RESID 208 (N): -2.103 ----- -0.204 0.641 0.687 -0.181 RESID 212 (D): ----- ----- -0.953 ----- ----- ----- RESID 213 (D): -7.395 ----- -2.170 0.267 -0.390 -0.509 RESID 214 (L): -2.722 ----- ----- 0.434 -0.297 -0.710 RESID 215 (P): ----- ----- -1.131 0.295 -0.704 ----- RESID 216 (C): -1.500 ----- -0.534 -3.246 13.468 0.470 RESID 217 (H): 0.365 ----- -0.283 -1.720 0.117 -0.264 RESID 218 (F): 0.952 ----- -1.259 -3.042 -0.193 0.110 RESID 219 (T): -2.423 ----- -0.596 -2.454 -5.314 0.207 RESID 220 (S): 0.567 ----- -1.397 -0.380 0.231 0.373 RESID 221 (A): -0.801 ----- -1.382 -1.028 0.715 0.164 RESID 222 (F): -3.487 ----- -1.279 -3.148 0.461 -0.340 RESID 223 (G): 2.289 ----- -1.647 -1.046 ----- -0.156 RESID 224 (A): -1.165 ----- -1.282 -1.122 0.765 0.134 RESID 225 (G): 0.227 ----- -0.764 -0.127 ----- -0.341 RESID 226 (F): 1.024 ----- -0.671 0.547 -0.270 -0.061 RESID 227 (C): -1.728 ----- ----- -1.096 14.821 0.273 RESID 228 (T): ----- ----- -0.258 ----- ----- -0.110 RESID 229 (T): -1.712 ----- 0.328 -0.608 -1.141 -0.129 RESID 230 (V): 1.284 ----- 0.631 1.318 0.413 0.553 RESID 231 (I): 0.439 ----- -0.184 1.461 0.030 1.224 RESID 232 (A): 1.553 ----- -0.490 0.220 -0.708 0.719 RESID 233 (S): -1.289 ----- ----- 0.244 0.374 0.042 RESID 234 (P): ----- ----- -0.058 ----- ----- ----- RESID 235 (V): -1.640 ----- -0.666 -0.979 -0.379 0.755 RESID 236 (D): 1.458 ----- -1.218 0.307 0.222 0.644 RESID 237 (V): -3.495 ----- ----- -0.864 -1.029 -0.133 RESID 238 (V): ----- ----- -0.415 ----- ----- 0.040 RESID 239 (K): 0.591 ----- 0.190 -0.342 -0.284 0.121 RESID 240 (T): 1.174 ----- 0.127 2.594 -1.264 0.215 RESID 241 (R): -1.530 ----- ----- -0.331 1.237 0.042 RESID 242 (Y): ----- ----- 0.617 ----- ----- 0.541 RESID 243 (M): -3.514 ----- 0.580 -2.792 ----- -1.388 RESID 244 (N): -2.309 ----- 0.143 6.481 -0.187 -0.623 RESID 245 (S): -0.083 ----- 3.258 -4.525 -1.352 0.740 RESID 246 (A): 5.218 ----- 2.722 4.709 -1.039 0.064 RESID 247 (L): -2.311 ----- -0.244 -2.083 0.088 0.282 RESID 248 (G): -3.948 ----- ----- -0.378 ----- 0.396 RESID 250 (Y): ----- ----- -0.019 ----- ----- -0.415 RESID 251 (H): 5.713 ----- -1.085 0.830 -0.910 0.315 RESID 252 (S): -0.634 ----- 0.447 0.414 0.959 0.205 RESID 253 (A): -0.297 ----- -0.542 0.455 0.063 -0.404 RESID 254 (G): 0.686 ----- -1.129 0.586 ----- -0.071 RESID 255 (H): -0.959 ----- 0.899 0.597 3.382 0.355 RESID 256 (C): 0.773 ----- -1.370 -4.281 14.219 0.293 RESID 257 (A): -0.392 ----- -0.008 -0.437 -0.668 0.460 RESID 258 (L): 1.363 ----- -0.861 -1.250 -0.484 -0.147 RESID 259 (T): -0.724 ----- -0.608 -0.015 -1.359 -0.288 RESID 260 (M): -0.117 ----- -0.903 0.385 0.153 0.438 RESID 261 (L): -1.435 ----- -1.056 0.488 0.167 0.473 RESID 262 (R): -1.497 ----- ----- 0.136 0.368 0.200 RESID 266 (P): ----- ----- -0.745 0.677 ----- ----- RESID 267 (R): 0.513 ----- -0.313 0.848 1.338 0.146 RESID 268 (A): -0.145 ----- 0.985 -0.030 0.579 -0.016 RESID 269 (F): 0.938 ----- -0.788 -0.399 -0.432 0.185 RESID 270 (Y): -0.501 ----- -0.387 0.030 -0.059 0.255 RESID 271 (K): 0.376 ----- 1.396 0.313 0.038 -0.034 RESID 272 (G): 0.239 ----- 0.559 0.821 ----- -0.677 RESID 273 (F): -4.082 ----- 0.237 -1.294 0.570 -0.498 RESID 277 (F): ----- ----- 0.227 0.859 0.880 -0.204 RESID 278 (L): -0.234 ----- -1.805 -1.718 0.985 0.576 RESID 279 (R): 0.010 ----- -2.228 -1.705 0.986 -0.140 RESID 280 (L): 0.157 ----- -1.068 -1.164 1.169 -0.233 RESID 281 (G): -0.315 ----- -1.920 -0.199 ----- 0.293 RESID 282 (S): -3.376 ----- -2.091 -3.077 -4.167 0.355 RESID 283 (W): 0.185 ----- -1.209 -1.447 0.927 -0.291 RESID 284 (N): 0.388 ----- ----- -0.901 0.989 0.216 RESID 285 (V): ----- ----- -0.278 ----- ----- 0.365 RESID 286 (V): 2.518 ----- -0.448 -1.072 -1.232 0.181 RESID 287 (M): 1.902 ----- -1.135 0.560 0.681 1.046 RESID 288 (F): 1.426 ----- -0.951 -0.124 0.007 0.242 RESID 289 (V): 3.141 ----- ----- -2.233 0.152 0.203 RESID 290 (T): ----- ----- -1.093 ----- ----- 0.657 RESID 291 (Y): -5.309 ----- -0.177 0.080 -0.216 0.291 RESID 292 (E): -0.924 ----- -2.218 0.322 0.259 0.277 RESID 293 (Q): 0.838 ----- -2.434 0.636 0.290 0.175 RESID 294 (L): 2.130 ----- -0.156 1.905 -0.158 0.465 RESID 295 (K): 0.690 ----- ----- 0.613 -1.184 0.057 RESID 296 (R): ----- ----- ----- ----- ----- 0.126 RESID 297 (A): ----- ----- -1.800 ----- ----- -0.177 RESID 298 (L): -3.733 ----- 0.548 1.098 0.007 -0.180 RESID 299 (M): 11.165 ----- 3.721 2.146 1.229 -0.140 RESID 300 (A): 2.424 ----- 4.044 3.084 -1.787 0.063 RESID 301 (A): -7.355 ----- 0.437 0.574 -0.075 -0.796 RESID 302 (Y): -1.592 ----- -1.008 -0.522 1.269 -0.351 RESID 303 (Q): -0.977 ----- -1.165 -0.586 0.915 -0.587 RESID 304 (S): 0.416 ----- -1.679 -1.470 0.799 0.077 RESID 305 (R): 1.820 ----- -2.477 0.907 0.197 -0.478 RESID 306 (E): 2.045 ----- -1.090 1.036 0.830 0.232 RESID 307 (A): -2.694 ----- -0.829 1.827 0.603 0.074 DATA CS_STAT_INFO N RMS: 2.629 ppm Count: 236 Average Difference: -0.267 +/- 2.621 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.185 ppm Count: 239 Average Difference: 0.386 +/- 1.122 ppm DATA CS_STAT_INFO CA RMS: 1.558 ppm Count: 241 Average Difference: 0.165 +/- 1.552 ppm DATA CS_STAT_INFO CB RMS: 2.513 ppm Count: 215 Average Difference: -0.677 +/- 2.426 ppm DATA CS_STAT_INFO HN RMS: 0.430 ppm Count: 249 Average Difference: -0.073 +/- 0.424 ppm ############################################################################ For conformer 13: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 121.714 1.381 RESID 15 (V): C 176.453 176.453 177.018 -0.565 RESID 15 (V): CA 63.979 63.979 60.919 3.061 RESID 15 (V): CB 32.507 32.507 33.189 -0.682 RESID 15 (V): H 8.053 8.053 7.875 0.178 RESID 16 (K): N 123.075 123.075 122.744 0.331 RESID 16 (K): C 176.841 176.841 179.066 -2.225 RESID 16 (K): CA 59.762 59.762 59.397 0.365 RESID 16 (K): CB 32.751 32.751 31.932 0.819 RESID 16 (K): H 8.059 8.059 8.723 -0.664 RESID 17 (F): N 118.838 118.838 120.408 -1.570 RESID 17 (F): C 175.443 175.443 177.298 -1.855 RESID 17 (F): CA 59.915 59.915 60.855 -0.940 RESID 17 (F): CB 39.659 39.659 39.014 0.645 RESID 17 (F): H 7.909 7.909 8.084 -0.175 RESID 18 (L): N 119.089 119.089 119.633 -0.544 RESID 18 (L): C 177.195 177.195 177.984 -0.789 RESID 18 (L): CA 55.385 55.385 56.569 -1.184 RESID 18 (L): CB 42.905 42.905 41.062 1.843 RESID 18 (L): H 7.814 7.814 8.289 -0.475 RESID 19 (G): N 108.484 108.484 107.755 0.729 RESID 19 (G): C 174.967 174.967 175.607 -0.640 RESID 19 (G): CA 45.518 45.518 47.161 -1.643 RESID 19 (G): H 8.032 8.032 8.585 -0.553 RESID 20 (A): N 124.208 124.208 123.802 0.406 RESID 20 (A): C 179.405 179.405 179.410 -0.005 RESID 20 (A): CA 54.531 54.531 54.373 0.158 RESID 20 (A): CB 18.995 18.995 18.103 0.892 RESID 20 (A): H 8.318 8.318 8.025 0.293 RESID 21 (G): N 108.209 108.209 107.261 0.948 RESID 21 (G): C 175.676 175.676 176.206 -0.530 RESID 21 (G): CA 46.742 46.742 47.286 -0.544 RESID 21 (G): H 8.523 8.523 7.889 0.634 RESID 22 (T): N 119.542 119.542 116.883 2.659 RESID 22 (T): C 175.661 175.661 175.992 -0.331 RESID 22 (T): CA 66.401 66.401 65.322 1.079 RESID 22 (T): CB 68.866 68.866 68.563 0.303 RESID 22 (T): H 7.881 7.881 8.211 -0.330 RESID 23 (A): N 123.431 123.431 123.699 -0.268 RESID 23 (A): C 178.628 178.628 179.030 -0.402 RESID 23 (A): CA 55.480 55.480 55.106 0.374 RESID 23 (A): CB 18.218 18.218 18.051 0.167 RESID 23 (A): H 8.263 8.263 7.381 0.882 RESID 24 (A): N 119.939 119.939 121.054 -1.115 RESID 24 (A): C 179.172 179.172 179.438 -0.266 RESID 24 (A): CA 55.038 55.038 54.959 0.079 RESID 24 (A): CB 18.385 18.385 18.078 0.307 RESID 24 (A): H 7.827 7.827 7.974 -0.147 RESID 25 (C): N 116.736 116.736 117.450 -0.714 RESID 25 (C): C 176.220 176.220 177.031 -0.811 RESID 25 (C): CA 58.596 58.596 63.813 -5.217 RESID 25 (C): CB 41.771 41.771 27.966 13.805 RESID 25 (C): H 7.677 7.677 7.431 0.246 RESID 26 (I): N 119.154 119.154 118.553 0.601 RESID 26 (I): C 176.915 176.915 177.184 -0.269 RESID 26 (I): CA 64.858 64.858 64.359 0.499 RESID 26 (I): CB 38.090 38.090 37.047 1.043 RESID 26 (I): H 7.899 7.899 7.801 0.098 RESID 27 (A): N 121.116 121.116 122.648 -1.532 RESID 27 (A): C 179.016 179.016 179.362 -0.346 RESID 27 (A): CA 55.367 55.367 55.151 0.216 RESID 27 (A): CB 18.385 18.385 18.305 0.080 RESID 27 (A): H 7.909 7.909 8.019 -0.110 RESID 28 (D): N 116.829 116.829 118.043 -1.214 RESID 28 (D): C 177.643 177.643 178.384 -0.741 RESID 28 (D): CA 56.453 56.453 57.525 -1.072 RESID 28 (D): CB 41.128 41.128 41.044 0.084 RESID 28 (D): H 7.554 7.554 7.581 -0.027 RESID 29 (L): N 119.672 119.672 121.063 -1.391 RESID 29 (L): C 178.628 178.628 178.572 0.056 RESID 29 (L): CA 57.144 57.144 58.408 -1.264 RESID 29 (L): CB 43.146 43.146 42.281 0.865 RESID 29 (L): H 7.732 7.732 7.399 0.333 RESID 30 (I): N 113.629 113.629 114.216 -0.587 RESID 30 (I): C 176.456 176.456 176.727 -0.271 RESID 30 (I): CA 60.539 60.539 63.569 -3.030 RESID 30 (I): CB 38.506 38.506 37.689 0.817 RESID 30 (I): H 7.977 7.977 7.695 0.282 RESID 31 (T): N 113.314 113.314 111.892 1.422 RESID 31 (T): C 174.045 174.045 175.697 -1.652 RESID 31 (T): CA 62.495 62.495 63.034 -0.539 RESID 31 (T): CB 69.898 69.898 70.235 -0.337 RESID 31 (T): H 7.738 7.738 7.157 0.581 RESID 32 (F): N 123.409 123.409 124.620 -1.211 RESID 32 (F): CA 56.349 56.349 63.201 -6.852 RESID 32 (F): CB 39.148 39.148 37.248 1.900 RESID 32 (F): H 7.609 7.609 8.618 -1.009 RESID 33 (P): C 177.831 177.831 177.651 0.180 RESID 33 (P): CA 62.656 62.656 65.264 -2.609 RESID 33 (P): CB 34.762 34.762 31.055 3.707 RESID 34 (L): N 124.503 124.503 117.893 6.610 RESID 34 (L): C 176.298 176.298 177.364 -1.066 RESID 34 (L): CA 55.545 55.545 57.488 -1.943 RESID 34 (L): CB 43.287 43.287 41.977 1.310 RESID 34 (L): H 8.659 8.659 7.364 1.295 RESID 35 (D): N 121.663 121.663 117.836 3.827 RESID 35 (D): C 177.152 177.152 177.840 -0.688 RESID 35 (D): CA 54.326 54.326 57.130 -2.804 RESID 35 (D): CB 41.154 41.154 40.010 1.144 RESID 35 (D): H 8.236 8.236 7.720 0.516 RESID 36 (T): N 115.977 115.977 110.851 5.126 RESID 36 (T): C 177.088 177.088 176.394 0.694 RESID 36 (T): CA 64.868 64.868 65.304 -0.436 RESID 36 (T): CB 69.053 69.053 68.858 0.195 RESID 36 (T): H 8.127 8.127 7.840 0.287 RESID 37 (A): N 125.063 125.063 123.944 1.119 RESID 37 (A): C 179.143 179.143 179.280 -0.137 RESID 37 (A): CA 55.234 55.234 54.946 0.288 RESID 37 (A): CB 18.735 18.735 18.514 0.221 RESID 37 (A): H 8.042 8.042 7.784 0.258 RESID 38 (K): N 117.827 117.827 117.906 -0.079 RESID 38 (K): C 178.239 178.239 178.171 0.068 RESID 38 (K): CA 58.861 58.861 58.861 -0.000 RESID 38 (K): CB 32.724 32.724 31.831 0.893 RESID 38 (K): H 7.759 7.759 7.545 0.214 RESID 39 (V): N 118.955 118.955 118.434 0.521 RESID 39 (V): C 177.892 177.892 177.914 -0.022 RESID 39 (V): CA 65.478 65.478 65.076 0.401 RESID 39 (V): CB 34.675 34.675 31.911 2.764 RESID 39 (V): H 7.554 7.554 7.359 0.195 RESID 40 (R): N 119.922 119.922 117.790 2.132 RESID 40 (R): C 178.391 178.391 178.734 -0.343 RESID 40 (R): CA 59.648 59.648 57.435 2.213 RESID 40 (R): CB 29.933 29.933 29.520 0.413 RESID 40 (R): H 7.794 7.794 7.389 0.405 RESID 41 (L): N 118.720 118.720 122.182 -3.462 RESID 41 (L): CA 54.749 54.749 54.434 0.315 RESID 41 (L): CB 40.429 40.429 39.404 1.025 RESID 41 (L): H 7.534 7.534 7.780 -0.246 RESID 49 (G): C 174.779 174.779 175.396 -0.617 RESID 50 (L): N 123.029 123.029 122.211 0.818 RESID 50 (L): C 178.482 178.482 177.803 0.679 RESID 50 (L): CA 56.765 56.765 57.387 -0.622 RESID 50 (L): CB 41.673 41.673 41.935 -0.263 RESID 50 (L): H 8.113 8.113 7.879 0.234 RESID 51 (V): N 118.714 118.714 119.065 -0.351 RESID 51 (V): C 178.032 178.032 176.534 1.498 RESID 51 (V): CA 66.037 66.037 65.985 0.052 RESID 51 (V): CB 30.763 30.763 31.784 -1.021 RESID 51 (V): H 7.974 7.974 7.744 0.230 RESID 52 (R): N 121.569 121.569 116.180 5.389 RESID 52 (R): CA 59.167 59.167 58.355 0.812 RESID 52 (R): CB 29.437 29.437 29.398 0.039 RESID 52 (R): H 8.231 8.231 8.205 0.026 RESID 53 (T): C 175.108 175.108 174.930 0.178 RESID 53 (T): H 7.948 7.948 7.428 0.520 RESID 54 (A): N 121.823 121.823 123.372 -1.549 RESID 54 (A): C 174.922 174.922 176.099 -1.177 RESID 54 (A): CA 50.101 50.101 52.462 -2.361 RESID 54 (A): CB 18.950 18.950 19.327 -0.377 RESID 54 (A): H 7.792 7.792 7.849 -0.057 RESID 55 (A): N 113.986 113.986 120.700 -6.714 RESID 55 (A): C 178.007 178.007 176.928 1.079 RESID 55 (A): CA 53.458 53.458 52.569 0.889 RESID 55 (A): CB 18.809 18.809 19.395 -0.586 RESID 55 (A): H 7.333 7.333 8.631 -1.298 RESID 56 (S): N 125.425 125.425 113.675 11.750 RESID 56 (S): C 174.899 174.899 173.537 1.362 RESID 56 (S): CA 59.520 59.520 57.399 2.121 RESID 56 (S): CB 64.051 64.051 63.330 0.721 RESID 56 (S): H 7.786 7.786 7.722 0.064 RESID 57 (A): N 118.183 118.183 120.857 -2.674 RESID 57 (A): CA 53.783 53.783 52.931 0.852 RESID 57 (A): CB 17.599 17.599 18.085 -0.486 RESID 57 (A): H 8.018 8.018 8.310 -0.292 RESID 59 (Y): C 177.662 177.662 175.342 2.320 RESID 60 (R): N 122.798 122.798 120.368 2.430 RESID 60 (R): C 177.956 177.956 176.443 1.513 RESID 60 (R): CA 58.711 58.711 57.286 1.425 RESID 60 (R): CB 30.659 30.659 30.315 0.344 RESID 60 (R): H 8.311 8.311 8.542 -0.231 RESID 61 (G): N 109.033 109.033 108.377 0.656 RESID 61 (G): C 176.064 176.064 175.611 0.453 RESID 61 (G): CA 46.592 46.592 45.274 1.318 RESID 61 (G): H 8.182 8.182 8.191 -0.009 RESID 62 (V): N 123.218 123.218 123.447 -0.229 RESID 62 (V): C 177.540 177.540 177.325 0.215 RESID 62 (V): CA 66.277 66.277 64.345 1.932 RESID 62 (V): CB 32.355 32.355 31.802 0.553 RESID 62 (V): H 8.105 8.105 8.331 -0.226 RESID 63 (L): N 120.295 120.295 119.770 0.525 RESID 63 (L): C 178.628 178.628 179.309 -0.681 RESID 63 (L): CA 58.366 58.366 57.319 1.047 RESID 63 (L): CB 41.675 41.675 40.192 1.483 RESID 63 (L): H 8.182 8.182 8.351 -0.169 RESID 64 (G): N 106.013 106.013 105.881 0.132 RESID 64 (G): C 176.531 176.531 176.082 0.449 RESID 64 (G): CA 47.765 47.765 47.098 0.667 RESID 64 (G): H 8.102 8.102 7.673 0.429 RESID 65 (T): N 120.842 120.842 116.439 4.403 RESID 65 (T): C 176.453 176.453 176.762 -0.309 RESID 65 (T): CA 67.140 67.140 65.197 1.943 RESID 65 (T): CB 69.161 69.161 69.198 -0.036 RESID 65 (T): H 7.854 7.854 7.489 0.365 RESID 66 (I): N 122.676 122.676 119.856 2.820 RESID 66 (I): C 177.307 177.307 177.411 -0.104 RESID 66 (I): CA 65.832 65.832 64.111 1.721 RESID 66 (I): CB 38.090 38.090 37.128 0.962 RESID 66 (I): H 8.018 8.018 7.417 0.601 RESID 67 (L): N 119.838 119.838 119.617 0.221 RESID 67 (L): C 178.706 178.706 178.280 0.426 RESID 67 (L): CA 58.491 58.491 58.372 0.119 RESID 67 (L): CB 41.387 41.387 41.684 -0.297 RESID 67 (L): H 8.291 8.291 7.673 0.618 RESID 68 (T): N 115.362 115.362 115.586 -0.224 RESID 68 (T): C 176.764 176.764 176.737 0.027 RESID 68 (T): CA 67.040 67.040 66.186 0.854 RESID 68 (T): CB 69.403 69.403 68.677 0.726 RESID 68 (T): H 7.963 7.963 7.439 0.524 RESID 69 (M): N 122.960 122.960 118.852 4.108 RESID 69 (M): C 177.153 177.153 178.256 -1.103 RESID 69 (M): CA 59.710 59.710 58.365 1.345 RESID 69 (M): CB 33.111 33.111 31.861 1.250 RESID 69 (M): H 7.977 7.977 7.629 0.348 RESID 70 (V): N 119.558 119.558 118.520 1.038 RESID 70 (V): C 176.841 176.841 177.863 -1.022 RESID 70 (V): CA 66.277 66.277 65.728 0.549 RESID 70 (V): CB 31.362 31.362 31.482 -0.120 RESID 70 (V): H 7.751 7.751 7.442 0.309 RESID 71 (R): N 118.002 118.002 118.133 -0.131 RESID 71 (R): C 177.152 177.152 178.020 -0.868 RESID 71 (R): CA 58.761 58.761 58.359 0.402 RESID 71 (R): CB 30.656 30.656 30.133 0.523 RESID 71 (R): H 7.827 7.827 7.484 0.343 RESID 72 (T): N 111.410 111.410 113.895 -2.485 RESID 72 (T): C 175.288 175.288 175.526 -0.238 RESID 72 (T): CA 64.194 64.194 66.051 -1.857 RESID 72 (T): CB 70.312 70.312 69.195 1.116 RESID 72 (T): H 7.745 7.745 7.651 0.094 RESID 73 (E): N 120.577 120.577 118.428 2.149 RESID 73 (E): C 177.696 177.696 175.933 1.763 RESID 73 (E): CA 57.363 57.363 56.103 1.260 RESID 73 (E): CB 30.927 30.927 31.946 -1.019 RESID 73 (E): H 8.263 8.263 8.238 0.025 RESID 74 (G): N 108.209 108.209 107.039 1.170 RESID 74 (G): CA 45.593 45.593 44.573 1.020 RESID 74 (G): H 7.841 7.841 7.483 0.358 RESID 75 (P): C 177.152 177.152 178.570 -1.418 RESID 75 (P): CA 65.652 65.652 64.433 1.220 RESID 75 (P): CB 32.294 32.294 32.409 -0.115 RESID 76 (R): N 118.553 118.553 118.197 0.356 RESID 76 (R): C 177.696 177.696 177.206 0.490 RESID 76 (R): CA 59.785 59.785 58.167 1.618 RESID 76 (R): CB 29.671 29.671 29.529 0.142 RESID 76 (R): H 8.427 8.427 8.570 -0.143 RESID 77 (S): N 115.323 115.323 113.576 1.747 RESID 77 (S): C 177.230 177.230 175.521 1.709 RESID 77 (S): CA 61.318 61.318 60.823 0.495 RESID 77 (S): CB 63.281 63.281 63.984 -0.703 RESID 77 (S): H 7.963 7.963 8.105 -0.142 RESID 78 (L): N 122.598 122.598 120.543 2.055 RESID 78 (L): C 177.696 177.696 178.428 -0.732 RESID 78 (L): CA 57.792 57.792 57.055 0.737 RESID 78 (L): CB 42.202 42.202 42.158 0.043 RESID 78 (L): H 7.595 7.595 7.564 0.031 RESID 79 (Y): N 119.276 119.276 115.789 3.487 RESID 79 (Y): C 176.142 176.142 175.346 0.796 RESID 79 (Y): CA 60.792 60.792 58.848 1.944 RESID 79 (Y): CB 38.687 38.687 38.651 0.036 RESID 79 (Y): H 7.868 7.868 7.487 0.381 RESID 80 (N): N 117.249 117.249 118.419 -1.170 RESID 80 (N): C 178.472 178.472 175.603 2.869 RESID 80 (N): CA 53.024 53.024 52.914 0.110 RESID 80 (N): CB 37.946 37.946 38.908 -0.962 RESID 80 (N): H 8.374 8.374 7.313 1.061 RESID 81 (G): N 108.575 108.575 112.974 -4.399 RESID 81 (G): C 175.521 175.521 175.330 0.191 RESID 81 (G): CA 46.266 46.266 45.843 0.423 RESID 81 (G): H 8.086 8.086 8.713 -0.627 RESID 82 (L): N 124.326 124.326 120.460 3.866 RESID 82 (L): C 178.239 178.239 177.786 0.453 RESID 82 (L): CA 58.217 58.217 57.838 0.379 RESID 82 (L): CB 42.351 42.351 40.695 1.656 RESID 82 (L): H 7.991 7.991 7.861 0.130 RESID 83 (V): N 117.727 117.727 118.709 -0.982 RESID 83 (V): C 177.851 177.851 177.127 0.724 RESID 83 (V): CA 64.113 64.113 64.300 -0.188 RESID 83 (V): CB 31.924 31.924 30.992 0.932 RESID 83 (V): H 8.004 8.004 8.087 -0.083 RESID 84 (A): N 121.414 121.414 121.913 -0.499 RESID 84 (A): C 180.570 180.570 179.960 0.610 RESID 84 (A): CA 55.031 55.031 54.604 0.427 RESID 84 (A): CB 18.286 18.286 18.480 -0.194 RESID 84 (A): H 7.677 7.677 7.785 -0.108 RESID 85 (G): N 106.471 106.471 107.747 -1.276 RESID 85 (G): C 175.521 175.521 176.024 -0.503 RESID 85 (G): CA 47.191 47.191 46.742 0.449 RESID 85 (G): H 7.963 7.963 7.636 0.327 RESID 86 (L): N 122.326 122.326 122.047 0.279 RESID 86 (L): C 178.239 178.239 178.908 -0.669 RESID 86 (L): CA 57.493 57.493 57.570 -0.077 RESID 86 (L): CB 42.202 42.202 40.962 1.240 RESID 86 (L): H 8.100 8.100 7.448 0.652 RESID 87 (Q): N 117.736 117.736 117.884 -0.148 RESID 87 (Q): C 177.340 177.340 178.394 -1.054 RESID 87 (Q): CA 57.787 57.787 58.883 -1.097 RESID 87 (Q): CB 28.942 28.942 28.214 0.728 RESID 87 (Q): H 8.004 8.004 7.791 0.213 RESID 88 (R): N 118.107 118.107 119.552 -1.445 RESID 88 (R): C 177.930 177.930 178.971 -1.041 RESID 88 (R): CA 58.062 58.062 59.500 -1.438 RESID 88 (R): CB 30.774 30.774 29.895 0.879 RESID 88 (R): H 7.568 7.568 7.419 0.149 RESID 89 (Q): N 117.921 117.921 117.370 0.551 RESID 89 (Q): C 177.375 177.375 178.363 -0.988 RESID 89 (Q): CA 56.838 56.838 57.784 -0.946 RESID 89 (Q): CB 29.006 29.006 28.384 0.622 RESID 89 (Q): H 7.827 7.827 7.545 0.282 RESID 90 (M): N 118.378 118.378 120.087 -1.709 RESID 90 (M): C 176.365 176.365 178.273 -1.908 RESID 90 (M): CA 56.339 56.339 57.713 -1.374 RESID 90 (M): CB 33.444 33.444 32.356 1.088 RESID 90 (M): H 7.963 7.963 8.539 -0.576 RESID 91 (S): N 115.089 115.089 114.525 0.564 RESID 91 (S): C 175.899 175.899 176.383 -0.484 RESID 91 (S): CA 58.621 58.621 60.868 -2.248 RESID 91 (S): CB 64.337 64.337 63.005 1.333 RESID 91 (S): H 7.868 7.868 7.810 0.058 RESID 92 (F): N 122.852 122.852 122.831 0.021 RESID 92 (F): C 177.375 177.375 176.619 0.756 RESID 92 (F): CA 59.095 59.095 61.064 -1.969 RESID 92 (F): CB 38.937 38.937 38.981 -0.044 RESID 92 (F): H 8.332 8.332 7.574 0.758 RESID 93 (A): N 123.258 123.258 119.773 3.485 RESID 93 (A): C 178.628 178.628 178.755 -0.127 RESID 93 (A): CA 54.881 54.881 54.212 0.669 RESID 93 (A): CB 17.902 17.902 18.104 -0.202 RESID 93 (A): H 8.223 8.223 7.722 0.501 RESID 94 (S): N 112.886 112.886 115.219 -2.333 RESID 94 (S): C 176.831 176.831 177.100 -0.269 RESID 94 (S): CA 60.319 60.319 60.960 -0.641 RESID 94 (S): CB 63.611 63.611 63.602 0.009 RESID 94 (S): H 7.977 7.977 7.610 0.367 RESID 95 (V): N 121.854 121.854 118.848 3.006 RESID 95 (V): C 176.220 176.220 176.578 -0.358 RESID 95 (V): CA 64.629 64.629 64.897 -0.268 RESID 95 (V): CB 31.328 31.328 30.695 0.632 RESID 95 (V): H 7.581 7.581 8.037 -0.456 RESID 96 (R): N 121.329 121.329 119.157 2.172 RESID 96 (R): C 176.814 176.814 177.106 -0.292 RESID 96 (R): CA 58.636 58.636 57.568 1.068 RESID 96 (R): CB 30.672 30.672 29.279 1.393 RESID 96 (R): H 7.936 7.936 7.178 0.758 RESID 97 (I): N 119.194 119.194 117.965 1.229 RESID 97 (I): C 177.152 177.152 176.127 1.025 RESID 97 (I): CA 63.296 63.296 62.096 1.200 RESID 97 (I): CB 38.757 38.757 38.610 0.147 RESID 97 (I): H 7.802 7.802 7.413 0.389 RESID 98 (G): N 109.857 109.857 107.670 2.187 RESID 98 (G): C 176.064 176.064 175.163 0.901 RESID 98 (G): CA 46.941 46.941 46.031 0.910 RESID 98 (G): H 8.127 8.127 7.715 0.412 RESID 99 (L): N 123.258 123.258 122.253 1.005 RESID 99 (L): C 177.856 177.856 178.174 -0.318 RESID 99 (L): CA 58.264 58.264 56.769 1.495 RESID 99 (L): CB 42.488 42.488 40.829 1.659 RESID 99 (L): H 8.223 8.223 7.974 0.249 RESID 100 (Y): N 119.770 119.770 120.658 -0.888 RESID 100 (Y): C 176.997 176.997 176.973 0.024 RESID 100 (Y): CA 61.592 61.592 62.553 -0.961 RESID 100 (Y): CB 38.809 38.809 38.427 0.382 RESID 100 (Y): H 8.207 8.207 8.073 0.134 RESID 101 (D): N 118.460 118.460 118.690 -0.230 RESID 101 (D): C 178.939 178.939 178.627 0.312 RESID 101 (D): CA 57.797 57.797 57.650 0.147 RESID 101 (D): CB 40.498 40.498 40.088 0.410 RESID 101 (D): H 8.401 8.401 8.716 -0.315 RESID 102 (S): N 116.022 116.022 116.509 -0.487 RESID 102 (S): C 176.005 176.005 176.088 -0.083 RESID 102 (S): CA 62.791 62.791 61.645 1.147 RESID 102 (S): CB 64.211 64.211 63.291 0.920 RESID 102 (S): H 7.854 7.854 7.658 0.196 RESID 103 (V): N 120.844 120.844 120.929 -0.085 RESID 103 (V): C 177.307 177.307 176.726 0.581 RESID 103 (V): CA 66.510 66.510 64.488 2.022 RESID 103 (V): CB 31.965 31.965 31.892 0.073 RESID 103 (V): H 7.926 7.926 7.513 0.413 RESID 104 (K): N 120.468 120.468 119.583 0.885 RESID 104 (K): C 178.861 178.861 178.968 -0.107 RESID 104 (K): CA 60.184 60.184 59.825 0.359 RESID 104 (K): CB 31.979 31.979 32.146 -0.167 RESID 104 (K): H 8.127 8.127 7.725 0.402 RESID 105 (Q): N 118.386 118.386 117.085 1.301 RESID 105 (Q): C 177.540 177.540 177.652 -0.112 RESID 105 (Q): CA 58.786 58.786 57.880 0.906 RESID 105 (Q): CB 28.377 28.377 28.714 -0.337 RESID 105 (Q): H 7.841 7.841 8.007 -0.166 RESID 106 (F): N 119.471 119.471 117.835 1.636 RESID 106 (F): C 176.531 176.531 175.349 1.182 RESID 106 (F): CA 60.593 60.593 59.813 0.780 RESID 106 (F): CB 39.459 39.459 39.340 0.119 RESID 106 (F): H 7.772 7.772 7.557 0.215 RESID 107 (Y): N 118.288 118.288 114.646 3.642 RESID 107 (Y): C 176.220 176.220 176.180 0.040 RESID 107 (Y): CA 60.543 60.543 58.820 1.723 RESID 107 (Y): CB 38.819 38.819 40.205 -1.386 RESID 107 (Y): H 8.045 8.045 7.314 0.731 RESID 108 (T): N 113.383 113.383 113.485 -0.102 RESID 108 (T): C 175.288 175.288 176.406 -1.118 RESID 108 (T): CA 64.094 64.094 60.930 3.164 RESID 108 (T): CB 69.986 69.986 68.035 1.951 RESID 108 (T): H 7.868 7.868 7.674 0.194 RESID 113 (H): C 173.413 173.413 173.688 -0.275 RESID 113 (H): H 7.968 7.968 8.186 -0.218 RESID 114 (A): N 119.456 119.456 118.857 0.599 RESID 114 (A): C 177.851 177.851 175.930 1.921 RESID 114 (A): CA 53.283 53.283 51.719 1.564 RESID 114 (A): CB 19.362 19.362 19.490 -0.128 RESID 114 (A): H 8.433 8.433 7.416 1.017 RESID 115 (G): N 108.484 108.484 104.684 3.800 RESID 115 (G): C 174.822 174.822 174.964 -0.142 RESID 115 (G): CA 45.968 45.968 45.249 0.719 RESID 115 (G): H 8.250 8.250 8.119 0.131 RESID 116 (I): N 121.139 121.139 122.464 -1.325 RESID 116 (I): C 176.841 176.841 178.078 -1.237 RESID 116 (I): CA 63.160 63.160 63.184 -0.024 RESID 116 (I): CB 38.853 38.853 36.922 1.931 RESID 116 (I): H 8.127 8.127 8.311 -0.184 RESID 117 (G): N 110.863 110.863 107.377 3.486 RESID 117 (G): C 174.588 174.588 176.580 -1.992 RESID 117 (G): CA 46.791 46.791 47.420 -0.630 RESID 117 (G): H 8.509 8.509 8.393 0.116 RESID 118 (S): N 116.069 116.069 117.717 -1.648 RESID 118 (S): C 175.754 175.754 176.907 -1.153 RESID 118 (S): CA 60.319 60.319 61.820 -1.501 RESID 118 (S): CB 63.864 63.864 63.045 0.819 RESID 118 (S): H 7.991 7.991 8.006 -0.015 RESID 119 (R): N 122.134 122.134 120.710 1.424 RESID 119 (R): C 178.228 178.228 178.610 -0.382 RESID 119 (R): CA 57.787 57.787 58.428 -0.641 RESID 119 (R): CB 30.549 30.549 29.623 0.926 RESID 119 (R): H 7.963 7.963 8.601 -0.638 RESID 120 (L): N 120.403 120.403 122.608 -2.205 RESID 120 (L): C 177.230 177.230 178.945 -1.715 RESID 120 (L): CA 57.967 57.967 57.857 0.110 RESID 120 (L): CB 42.146 42.146 41.613 0.533 RESID 120 (L): H 7.914 7.914 7.840 0.074 RESID 121 (L): N 118.960 118.960 119.912 -0.952 RESID 121 (L): C 177.152 177.152 179.326 -2.174 RESID 121 (L): CA 55.495 55.495 58.113 -2.618 RESID 121 (L): CB 42.238 42.238 41.467 0.771 RESID 121 (L): H 7.718 7.718 8.392 -0.674 RESID 122 (A): N 123.063 123.063 121.490 1.573 RESID 122 (A): C 178.317 178.317 179.786 -1.469 RESID 122 (A): CA 53.358 53.358 55.514 -2.155 RESID 122 (A): CB 19.218 19.218 18.117 1.101 RESID 122 (A): H 7.745 7.745 8.984 -1.239 RESID 123 (G): N 107.843 107.843 106.727 1.116 RESID 123 (G): C 176.912 176.912 176.484 0.428 RESID 123 (G): CA 45.943 45.943 47.186 -1.243 RESID 123 (G): H 8.113 8.113 9.010 -0.897 RESID 124 (S): N 116.105 116.105 117.388 -1.283 RESID 124 (S): C 175.574 175.574 176.803 -1.229 RESID 124 (S): CA 59.145 59.145 62.233 -3.088 RESID 124 (S): CB 64.211 64.211 62.739 1.472 RESID 124 (S): H 8.109 8.109 8.409 -0.300 RESID 125 (T): N 116.069 116.069 119.608 -3.539 RESID 125 (T): C 176.055 176.055 176.626 -0.571 RESID 125 (T): CA 66.921 66.921 66.763 0.158 RESID 125 (T): CB 69.682 69.682 68.591 1.091 RESID 125 (T): H 8.086 8.086 8.316 -0.230 RESID 126 (T): N 115.439 115.439 117.094 -1.655 RESID 126 (T): C 177.443 177.443 176.506 0.937 RESID 126 (T): CA 65.285 65.285 66.144 -0.859 RESID 126 (T): CB 68.364 68.364 68.410 -0.046 RESID 126 (T): H 7.977 7.977 8.474 -0.497 RESID 127 (G): N 115.453 115.453 108.305 7.148 RESID 127 (G): C 174.215 174.215 175.096 -0.881 RESID 127 (G): CA 46.117 46.117 46.916 -0.799 RESID 127 (G): H 8.168 8.168 8.101 0.067 RESID 128 (A): N 123.952 123.952 124.409 -0.457 RESID 128 (A): C 178.162 178.162 179.637 -1.475 RESID 128 (A): CA 53.349 53.349 54.872 -1.523 RESID 128 (A): CB 19.099 19.099 18.274 0.825 RESID 128 (A): H 7.919 7.919 7.484 0.435 RESID 129 (L): N 120.025 120.025 119.256 0.769 RESID 129 (L): C 177.949 177.949 178.892 -0.943 RESID 129 (L): CA 56.019 56.019 57.039 -1.020 RESID 129 (L): CB 42.340 42.340 40.890 1.450 RESID 129 (L): H 7.936 7.936 7.566 0.370 RESID 130 (A): N 123.402 123.402 121.729 1.673 RESID 130 (A): C 177.929 177.929 179.880 -1.951 RESID 130 (A): CA 53.283 53.283 55.071 -1.788 RESID 130 (A): CB 18.964 18.964 18.276 0.688 RESID 130 (A): H 7.868 7.868 8.344 -0.476 RESID 131 (V): N 118.111 118.111 117.655 0.456 RESID 131 (V): C 176.025 176.025 177.538 -1.513 RESID 131 (V): CA 63.180 63.180 65.416 -2.236 RESID 131 (V): CB 32.898 32.898 30.889 2.009 RESID 131 (V): H 7.636 7.636 8.166 -0.530 RESID 132 (A): N 124.047 124.047 122.141 1.906 RESID 132 (A): C 179.008 179.008 178.603 0.405 RESID 132 (A): CA 53.707 53.707 54.771 -1.064 RESID 132 (A): CB 19.150 19.150 18.798 0.352 RESID 132 (A): H 7.911 7.911 7.561 0.350 RESID 133 (V): N 113.349 113.349 119.152 -5.803 RESID 133 (V): C 175.527 175.527 176.886 -1.359 RESID 133 (V): CA 64.115 64.115 64.303 -0.188 RESID 133 (V): CB 31.832 31.832 32.275 -0.443 RESID 133 (V): H 7.094 7.094 7.654 -0.560 RESID 134 (A): N 123.224 123.224 120.809 2.415 RESID 134 (A): CA 55.493 55.493 50.955 4.538 RESID 134 (A): H 7.586 7.586 7.521 0.065 RESID 136 (P): C 177.074 177.074 178.406 -1.332 RESID 137 (T): N 113.281 113.281 113.083 0.198 RESID 137 (T): C 174.485 174.485 176.562 -2.077 RESID 137 (T): CA 64.496 64.496 66.679 -2.183 RESID 137 (T): CB 69.997 69.997 68.339 1.658 RESID 137 (T): H 7.963 7.963 8.066 -0.103 RESID 138 (D): N 122.770 122.770 121.983 0.787 RESID 138 (D): C 178.458 178.458 178.336 0.122 RESID 138 (D): CA 56.776 56.776 57.056 -0.280 RESID 138 (D): CB 41.023 41.023 40.800 0.223 RESID 138 (D): H 8.094 8.094 7.505 0.589 RESID 139 (V): N 119.931 119.931 119.710 0.221 RESID 139 (V): C 177.502 177.502 177.450 0.052 RESID 139 (V): CA 66.455 66.455 66.005 0.450 RESID 139 (V): CB 32.804 32.804 32.089 0.715 RESID 139 (V): H 7.753 7.753 7.679 0.074 RESID 140 (V): N 120.539 120.539 116.945 3.594 RESID 140 (V): C 176.232 176.232 177.859 -1.627 RESID 140 (V): CA 66.770 66.770 66.713 0.057 RESID 140 (V): CB 32.086 32.086 30.611 1.475 RESID 140 (V): H 8.295 8.295 7.642 0.653 RESID 141 (K): N 120.122 120.122 121.167 -1.045 RESID 141 (K): C 176.120 176.120 179.115 -2.995 RESID 141 (K): CA 55.991 55.991 59.745 -3.755 RESID 141 (K): CB 31.712 31.712 31.996 -0.284 RESID 141 (K): H 7.698 7.698 7.522 0.176 RESID 142 (V): N 120.104 120.104 118.974 1.130 RESID 142 (V): CA 63.230 63.230 66.275 -3.045 RESID 142 (V): H 7.772 7.772 7.630 0.142 RESID 143 (R): C 178.401 178.401 178.883 -0.482 RESID 143 (R): H 7.999 7.999 7.775 0.224 RESID 144 (F): N 120.445 120.445 121.094 -0.649 RESID 144 (F): C 177.856 177.856 177.381 0.475 RESID 144 (F): CA 61.438 61.438 60.906 0.533 RESID 144 (F): H 8.395 8.395 8.742 -0.347 RESID 145 (Q): N 124.180 124.180 119.015 5.165 RESID 145 (Q): C 174.844 174.844 177.523 -2.679 RESID 145 (Q): CA 56.414 56.414 58.911 -2.498 RESID 145 (Q): CB 30.721 30.721 29.058 1.663 RESID 145 (Q): H 8.094 8.094 7.896 0.198 RESID 146 (A): N 120.452 120.452 120.429 0.023 RESID 146 (A): C 177.929 177.929 177.744 0.185 RESID 146 (A): CA 53.483 53.483 53.364 0.119 RESID 146 (A): CB 18.431 18.431 18.660 -0.230 RESID 146 (A): H 7.939 7.939 7.354 0.585 RESID 147 (Q): N 119.388 119.388 120.269 -0.881 RESID 147 (Q): C 176.029 176.029 175.306 0.723 RESID 147 (Q): CA 56.339 56.339 55.696 0.643 RESID 147 (Q): CB 29.444 29.444 28.608 0.836 RESID 147 (Q): H 8.072 8.072 7.464 0.608 RESID 148 (A): N 125.199 125.199 130.112 -4.913 RESID 148 (A): C 177.766 177.766 177.107 0.659 RESID 148 (A): CA 53.108 53.108 53.164 -0.056 RESID 148 (A): CB 19.151 19.151 18.538 0.613 RESID 148 (A): H 8.055 8.055 8.567 -0.512 RESID 149 (R): N 120.208 120.208 119.752 0.456 RESID 149 (R): CA 56.414 56.414 58.496 -2.083 RESID 149 (R): CB 30.749 30.749 29.101 1.648 RESID 149 (R): H 8.018 8.018 8.372 -0.354 RESID 159 (T): C 175.928 175.928 176.399 -0.471 RESID 160 (V): N 118.321 118.321 121.369 -3.048 RESID 160 (V): C 177.749 177.749 177.222 0.527 RESID 160 (V): CA 64.126 64.126 65.342 -1.216 RESID 160 (V): CB 31.343 31.343 31.465 -0.122 RESID 160 (V): H 8.073 8.073 8.076 -0.003 RESID 161 (E): N 122.379 122.379 120.155 2.224 RESID 161 (E): C 178.783 178.783 178.628 0.155 RESID 161 (E): CA 59.550 59.550 59.045 0.505 RESID 161 (E): CB 29.597 29.597 28.488 1.109 RESID 161 (E): H 8.204 8.204 7.765 0.439 RESID 162 (A): N 122.845 122.845 122.696 0.149 RESID 162 (A): C 179.948 179.948 179.708 0.240 RESID 162 (A): CA 55.181 55.181 54.895 0.286 RESID 162 (A): CB 18.154 18.154 18.122 0.032 RESID 162 (A): H 7.786 7.786 8.292 -0.506 RESID 163 (Y): N 118.902 118.902 119.393 -0.491 RESID 163 (Y): C 177.273 177.273 178.061 -0.788 RESID 163 (Y): CA 61.068 61.068 61.968 -0.900 RESID 163 (Y): CB 37.898 37.898 38.748 -0.850 RESID 163 (Y): H 7.922 7.922 7.914 0.008 RESID 164 (K): N 119.939 119.939 117.516 2.423 RESID 164 (K): C 178.239 178.239 179.198 -0.959 RESID 164 (K): CA 60.309 60.309 59.084 1.225 RESID 164 (K): CB 32.504 32.504 32.047 0.457 RESID 164 (K): H 8.223 8.223 7.515 0.708 RESID 165 (T): N 115.262 115.262 115.407 -0.145 RESID 165 (T): C 175.676 175.676 176.563 -0.887 RESID 165 (T): CA 66.516 66.516 65.852 0.664 RESID 165 (T): CB 69.367 69.367 68.704 0.663 RESID 165 (T): H 7.745 7.745 8.094 -0.349 RESID 166 (I): N 121.571 121.571 117.802 3.769 RESID 166 (I): C 177.307 177.307 177.105 0.202 RESID 166 (I): CA 64.634 64.634 64.680 -0.046 RESID 166 (I): CB 38.896 38.896 37.101 1.795 RESID 166 (I): H 7.540 7.540 7.392 0.148 RESID 167 (A): N 121.983 121.983 123.442 -1.459 RESID 167 (A): C 178.395 178.395 179.263 -0.868 RESID 167 (A): CA 54.656 54.656 54.626 0.030 RESID 167 (A): CB 18.486 18.486 18.161 0.325 RESID 167 (A): H 8.059 8.059 7.717 0.342 RESID 168 (R): N 116.369 116.369 118.454 -2.085 RESID 168 (R): C 177.307 177.307 178.686 -1.379 RESID 168 (R): CA 58.486 58.486 58.785 -0.299 RESID 168 (R): CB 30.930 30.930 30.124 0.806 RESID 168 (R): H 7.690 7.690 7.875 -0.185 RESID 169 (E): N 118.667 118.667 117.690 0.977 RESID 169 (E): C 177.696 177.696 178.311 -0.615 RESID 169 (E): CA 58.212 58.212 58.618 -0.406 RESID 169 (E): CB 30.357 30.357 29.978 0.379 RESID 169 (E): H 8.045 8.045 7.633 0.412 RESID 170 (E): N 118.202 118.202 117.964 0.238 RESID 170 (E): C 177.878 177.878 177.264 0.614 RESID 170 (E): CA 57.363 57.363 56.464 0.899 RESID 170 (E): CB 31.277 31.277 30.677 0.600 RESID 170 (E): H 8.550 8.550 8.267 0.283 RESID 171 (G): N 108.941 108.941 108.597 0.344 RESID 171 (G): C 174.433 174.433 174.620 -0.187 RESID 171 (G): CA 45.193 45.193 44.265 0.928 RESID 171 (G): H 7.881 7.881 7.554 0.327 RESID 172 (I): N 120.842 120.842 121.262 -0.420 RESID 172 (I): C 176.997 176.997 177.013 -0.016 RESID 172 (I): CA 63.810 63.810 63.449 0.361 RESID 172 (I): CB 38.516 38.516 38.152 0.364 RESID 172 (I): H 8.550 8.550 8.367 0.183 RESID 173 (R): N 119.480 119.480 120.224 -0.744 RESID 173 (R): C 178.084 178.084 178.454 -0.370 RESID 173 (R): CA 58.711 58.711 59.105 -0.394 RESID 173 (R): CB 29.796 29.796 29.172 0.624 RESID 173 (R): H 8.277 8.277 8.522 -0.245 RESID 174 (G): N 106.379 106.379 107.665 -1.286 RESID 174 (G): C 175.210 175.210 176.276 -1.066 RESID 174 (G): CA 46.767 46.767 46.929 -0.162 RESID 174 (G): H 7.690 7.690 8.947 -1.257 RESID 175 (L): N 120.664 120.664 120.833 -0.169 RESID 175 (L): C 177.971 177.971 178.607 -0.636 RESID 175 (L): CA 57.104 57.104 56.592 0.512 RESID 175 (L): CB 42.559 42.559 41.654 0.905 RESID 175 (L): H 7.554 7.554 7.346 0.208 RESID 176 (W): N 117.031 117.031 118.193 -1.162 RESID 176 (W): C 176.987 176.987 178.416 -1.429 RESID 176 (W): CA 57.672 57.672 57.913 -0.241 RESID 176 (W): CB 29.796 29.796 28.335 1.460 RESID 176 (W): H 7.499 7.499 7.871 -0.372 RESID 177 (K): N 120.567 120.567 119.956 0.611 RESID 177 (K): C 177.152 177.152 178.130 -0.978 RESID 177 (K): CA 57.712 57.712 59.561 -1.849 RESID 177 (K): CB 32.890 32.890 31.858 1.032 RESID 177 (K): H 7.595 7.595 7.498 0.097 RESID 178 (G): N 108.667 108.667 104.983 3.684 RESID 178 (G): C 174.045 174.045 175.323 -1.278 RESID 178 (G): CA 45.893 45.893 45.662 0.231 RESID 178 (G): H 7.881 7.881 8.262 -0.381 RESID 179 (T): N 115.080 115.080 116.416 -1.336 RESID 179 (T): C 175.192 175.192 176.654 -1.462 RESID 179 (T): CA 66.521 66.521 65.199 1.322 RESID 179 (T): CB 70.079 70.079 68.413 1.666 RESID 179 (T): H 7.622 7.622 7.740 -0.118 RESID 180 (S): N 117.754 117.754 116.894 0.860 RESID 180 (S): CA 63.123 63.123 62.728 0.395 RESID 180 (S): CB 62.045 62.045 62.051 -0.006 RESID 180 (S): H 8.195 8.195 7.846 0.349 RESID 182 (N): C 177.348 177.348 177.753 -0.405 RESID 183 (V): N 118.118 118.118 120.096 -1.978 RESID 183 (V): C 176.944 176.944 177.516 -0.572 RESID 183 (V): CA 65.244 65.244 66.432 -1.188 RESID 183 (V): CB 32.508 32.508 31.640 0.869 RESID 183 (V): H 7.861 7.861 7.687 0.174 RESID 184 (A): N 122.284 122.284 121.672 0.612 RESID 184 (A): C 178.317 178.317 179.512 -1.195 RESID 184 (A): CA 55.339 55.339 55.230 0.109 RESID 184 (A): CB 28.230 28.230 18.188 10.042 RESID 184 (A): H 8.097 8.097 7.464 0.633 RESID 185 (R): N 117.321 117.321 118.636 -1.315 RESID 185 (R): C 177.527 177.527 178.529 -1.002 RESID 185 (R): CA 59.543 59.543 59.840 -0.297 RESID 185 (R): CB 29.767 29.767 30.016 -0.249 RESID 185 (R): H 7.611 7.611 8.195 -0.584 RESID 186 (N): N 117.294 117.294 117.935 -0.641 RESID 186 (N): C 176.599 176.599 177.139 -0.540 RESID 186 (N): CA 56.659 56.659 56.239 0.420 RESID 186 (N): CB 39.454 39.454 38.234 1.220 RESID 186 (N): H 8.048 8.048 7.934 0.114 RESID 187 (A): N 121.003 121.003 122.657 -1.654 RESID 187 (A): C 178.713 178.713 179.705 -0.992 RESID 187 (A): CA 55.520 55.520 55.071 0.449 RESID 187 (A): CB 18.097 18.097 18.547 -0.450 RESID 187 (A): H 7.322 7.322 7.635 -0.313 RESID 188 (I): N 119.319 119.319 119.335 -0.016 RESID 188 (I): C 176.634 176.634 178.255 -1.621 RESID 188 (I): CA 64.225 64.225 64.011 0.214 RESID 188 (I): CB 37.658 37.658 36.756 0.902 RESID 188 (I): H 7.779 7.779 8.349 -0.570 RESID 189 (V): N 117.265 117.265 120.660 -3.395 RESID 189 (V): C 177.529 177.529 178.225 -0.696 RESID 189 (V): CA 65.562 65.562 67.409 -1.847 RESID 189 (V): CB 31.407 31.407 30.838 0.569 RESID 189 (V): H 7.776 7.776 8.393 -0.617 RESID 190 (N): N 118.736 118.736 118.929 -0.193 RESID 190 (N): C 176.476 176.476 177.981 -1.505 RESID 190 (N): CA 56.813 56.813 56.323 0.490 RESID 190 (N): CB 38.268 38.268 38.410 -0.142 RESID 190 (N): H 7.800 7.800 7.950 -0.150 RESID 191 (C): N 120.152 120.152 118.293 1.859 RESID 191 (C): C 175.831 175.831 176.753 -0.922 RESID 191 (C): CA 60.293 60.293 64.548 -4.255 RESID 191 (C): CB 41.566 41.566 27.401 14.165 RESID 191 (C): H 7.784 7.784 8.137 -0.353 RESID 192 (A): N 121.963 121.963 122.229 -0.266 RESID 192 (A): C 178.395 178.395 179.214 -0.819 RESID 192 (A): CA 55.280 55.280 55.164 0.116 RESID 192 (A): CB 18.008 18.008 18.115 -0.107 RESID 192 (A): H 8.141 8.141 8.728 -0.587 RESID 193 (E): N 114.548 114.548 119.601 -5.053 RESID 193 (E): C 176.764 176.764 178.827 -2.063 RESID 193 (E): CA 58.262 58.262 59.367 -1.105 RESID 193 (E): CB 29.342 29.342 29.550 -0.208 RESID 193 (E): H 7.595 7.595 8.332 -0.738 RESID 194 (L): N 117.659 117.659 120.564 -2.905 RESID 194 (L): C 176.904 176.904 178.431 -1.527 RESID 194 (L): CA 55.695 55.695 58.167 -2.472 RESID 194 (L): CB 41.655 41.655 42.046 -0.391 RESID 194 (L): H 7.459 7.459 7.966 -0.507 RESID 195 (V): N 117.842 117.842 115.419 2.423 RESID 195 (V): C 177.150 177.150 178.082 -0.932 RESID 195 (V): CA 64.054 64.054 65.378 -1.324 RESID 195 (V): CB 31.079 31.079 31.460 -0.381 RESID 195 (V): H 7.363 7.363 7.340 0.023 RESID 196 (T): N 122.439 122.439 117.309 5.130 RESID 196 (T): C 175.055 175.055 176.470 -1.415 RESID 196 (T): CA 65.500 65.500 66.929 -1.429 RESID 196 (T): CB 69.490 69.490 68.669 0.821 RESID 196 (T): H 7.940 7.940 7.772 0.168 RESID 197 (Y): N 122.430 122.430 122.238 0.192 RESID 197 (Y): C 177.152 177.152 176.783 0.369 RESID 197 (Y): CA 61.892 61.892 61.798 0.094 RESID 197 (Y): CB 38.085 38.085 38.524 -0.439 RESID 197 (Y): H 9.123 9.123 8.842 0.281 RESID 198 (D): N 117.750 117.750 118.786 -1.036 RESID 198 (D): C 177.696 177.696 178.490 -0.794 RESID 198 (D): CA 57.822 57.822 57.814 0.008 RESID 198 (D): CB 40.500 40.500 40.382 0.118 RESID 198 (D): H 8.263 8.263 7.915 0.348 RESID 199 (L): N 120.698 120.698 119.175 1.523 RESID 199 (L): C 180.104 180.104 179.234 0.870 RESID 199 (L): CA 58.092 58.092 57.375 0.717 RESID 199 (L): CB 42.559 42.559 41.616 0.943 RESID 199 (L): H 7.636 7.636 7.350 0.286 RESID 200 (I): N 121.136 121.136 118.737 2.399 RESID 200 (I): C 176.919 176.919 177.942 -1.023 RESID 200 (I): CA 65.482 65.482 63.451 2.031 RESID 200 (I): CB 37.949 37.949 37.119 0.830 RESID 200 (I): H 7.718 7.718 7.277 0.441 RESID 201 (K): N 120.587 120.587 119.327 1.260 RESID 201 (K): C 177.696 177.696 178.286 -0.590 RESID 201 (K): CA 60.683 60.683 59.381 1.302 RESID 201 (K): CB 31.809 31.809 32.363 -0.554 RESID 201 (K): H 8.291 8.291 7.634 0.657 RESID 202 (D): N 117.936 117.936 116.406 1.530 RESID 202 (D): C 178.395 178.395 176.554 1.841 RESID 202 (D): CA 57.672 57.672 56.187 1.485 RESID 202 (D): CB 41.355 41.355 40.935 0.420 RESID 202 (D): H 8.182 8.182 7.828 0.354 RESID 203 (T): N 115.914 115.914 114.674 1.240 RESID 203 (T): CA 61.190 61.190 62.246 -1.056 RESID 203 (T): CB 68.738 68.738 69.617 -0.879 RESID 203 (T): H 7.690 7.690 7.321 0.369 RESID 204 (L): C 176.047 176.047 175.065 0.982 RESID 204 (L): H 8.051 8.051 8.725 -0.674 RESID 205 (L): N 118.768 118.768 117.809 0.959 RESID 205 (L): C 179.871 179.871 177.686 2.185 RESID 205 (L): CA 55.867 55.867 54.195 1.672 RESID 205 (L): CB 41.887 41.887 41.364 0.523 RESID 205 (L): H 7.977 7.977 7.853 0.124 RESID 206 (K): N 119.775 119.775 118.900 0.875 RESID 206 (K): C 177.318 177.318 176.292 1.026 RESID 206 (K): CA 58.461 58.461 58.207 0.254 RESID 206 (K): CB 32.734 32.734 32.404 0.330 RESID 206 (K): H 7.677 7.677 8.090 -0.413 RESID 207 (A): N 120.757 120.757 121.532 -0.775 RESID 207 (A): C 176.531 176.531 177.079 -0.548 RESID 207 (A): CA 53.083 53.083 52.376 0.707 RESID 207 (A): CB 18.960 18.960 20.013 -1.053 RESID 207 (A): H 7.565 7.565 8.091 -0.526 RESID 208 (N): N 115.463 115.463 115.124 0.339 RESID 208 (N): C 174.822 174.822 173.958 0.864 RESID 208 (N): CA 54.351 54.351 53.128 1.223 RESID 208 (N): CB 38.160 38.160 37.701 0.459 RESID 208 (N): H 7.936 7.936 8.224 -0.288 RESID 212 (D): C 174.735 174.735 175.329 -0.594 RESID 213 (D): N 116.363 116.363 121.710 -5.347 RESID 213 (D): C 175.553 175.553 177.112 -1.559 RESID 213 (D): CA 54.890 54.890 53.054 1.835 RESID 213 (D): CB 38.846 38.846 40.091 -1.245 RESID 213 (D): H 8.129 8.129 8.338 -0.209 RESID 214 (L): N 119.486 119.486 123.929 -4.443 RESID 214 (L): CA 59.766 59.766 58.870 0.896 RESID 214 (L): CB 39.579 39.579 39.406 0.173 RESID 214 (L): H 7.821 7.821 7.959 -0.138 RESID 215 (P): C 177.971 177.971 179.032 -1.061 RESID 215 (P): CA 65.938 65.938 65.928 0.010 RESID 215 (P): CB 30.006 30.006 30.849 -0.843 RESID 216 (C): N 114.211 114.211 114.365 -0.154 RESID 216 (C): C 176.142 176.142 176.729 -0.587 RESID 216 (C): CA 58.773 58.773 61.779 -3.006 RESID 216 (C): CB 40.906 40.906 27.356 13.550 RESID 216 (C): H 8.269 8.269 7.676 0.593 RESID 217 (H): N 120.491 120.491 120.045 0.446 RESID 217 (H): C 176.747 176.747 177.289 -0.542 RESID 217 (H): CA 57.198 57.198 60.082 -2.884 RESID 217 (H): CB 29.886 29.886 29.302 0.584 RESID 217 (H): H 7.301 7.301 7.519 -0.218 RESID 218 (F): N 120.501 120.501 118.704 1.797 RESID 218 (F): C 176.187 176.187 177.873 -1.686 RESID 218 (F): CA 59.045 59.045 61.933 -2.888 RESID 218 (F): CB 38.901 38.901 38.461 0.440 RESID 218 (F): H 8.127 8.127 7.716 0.411 RESID 219 (T): N 112.682 112.682 112.919 -0.237 RESID 219 (T): C 175.997 175.997 176.987 -0.990 RESID 219 (T): CA 64.319 64.319 66.445 -2.126 RESID 219 (T): CB 63.282 63.282 68.343 -5.061 RESID 219 (T): H 7.977 7.977 8.315 -0.338 RESID 220 (S): N 117.589 117.589 118.313 -0.724 RESID 220 (S): C 175.055 175.055 176.597 -1.542 RESID 220 (S): CA 61.344 61.344 61.402 -0.058 RESID 220 (S): CB 63.440 63.440 62.822 0.618 RESID 220 (S): H 8.004 8.004 7.806 0.198 RESID 221 (A): N 123.860 123.860 124.439 -0.579 RESID 221 (A): C 177.618 177.618 179.135 -1.517 RESID 221 (A): CA 53.932 53.932 54.881 -0.949 RESID 221 (A): CB 18.891 18.891 18.595 0.296 RESID 221 (A): H 7.704 7.704 7.630 0.074 RESID 222 (F): N 116.073 116.073 119.876 -3.803 RESID 222 (F): C 176.142 176.142 177.500 -1.358 RESID 222 (F): CA 58.271 58.271 61.160 -2.889 RESID 222 (F): CB 39.554 39.554 38.963 0.591 RESID 222 (F): H 7.718 7.718 8.213 -0.495 RESID 223 (G): N 108.578 108.578 106.036 2.542 RESID 223 (G): C 173.889 173.889 175.591 -1.702 RESID 223 (G): CA 45.993 45.993 47.083 -1.090 RESID 223 (G): H 7.909 7.909 8.033 -0.124 RESID 224 (A): N 123.322 123.322 124.687 -1.365 RESID 224 (A): C 178.550 178.550 179.613 -1.063 RESID 224 (A): CA 53.608 53.608 54.495 -0.886 RESID 224 (A): CB 19.069 19.069 18.436 0.633 RESID 224 (A): H 8.018 8.018 7.756 0.262 RESID 225 (G): N 107.935 107.935 107.430 0.505 RESID 225 (G): C 175.389 175.389 175.937 -0.548 RESID 225 (G): CA 46.967 46.967 46.940 0.027 RESID 225 (G): H 8.304 8.304 8.579 -0.275 RESID 226 (F): N 122.440 122.440 120.984 1.456 RESID 226 (F): C 176.998 176.998 177.994 -0.996 RESID 226 (F): CA 60.673 60.673 60.345 0.328 RESID 226 (F): CB 38.319 38.319 38.461 -0.142 RESID 226 (F): H 8.045 8.045 7.542 0.503 RESID 227 (C): N 116.562 116.562 117.392 -0.830 RESID 227 (C): CA 61.301 61.301 61.871 -0.570 RESID 227 (C): CB 41.286 41.286 27.884 13.402 RESID 227 (C): H 8.016 8.016 7.724 0.292 RESID 228 (T): C 176.437 176.437 176.666 -0.229 RESID 228 (T): H 8.410 8.410 8.167 0.243 RESID 229 (T): N 115.234 115.234 116.310 -1.076 RESID 229 (T): C 176.749 176.749 176.516 0.233 RESID 229 (T): CA 65.980 65.980 66.249 -0.268 RESID 229 (T): CB 67.443 67.443 68.546 -1.103 RESID 229 (T): H 8.188 8.188 8.194 -0.006 RESID 230 (V): N 120.723 120.723 122.409 -1.686 RESID 230 (V): C 177.983 177.983 178.127 -0.144 RESID 230 (V): CA 66.832 66.832 66.103 0.729 RESID 230 (V): CB 31.168 31.168 31.410 -0.242 RESID 230 (V): H 8.027 8.027 7.571 0.456 RESID 231 (I): N 120.541 120.541 119.247 1.294 RESID 231 (I): C 177.368 177.368 177.810 -0.442 RESID 231 (I): CA 65.575 65.575 62.577 2.998 RESID 231 (I): CB 37.722 37.722 36.529 1.193 RESID 231 (I): H 8.458 8.458 7.399 1.059 RESID 232 (A): N 122.766 122.766 122.957 -0.191 RESID 232 (A): C 178.847 178.847 179.528 -0.681 RESID 232 (A): CA 55.252 55.252 55.074 0.178 RESID 232 (A): CB 17.874 17.874 18.624 -0.750 RESID 232 (A): H 8.589 8.589 8.329 0.260 RESID 233 (S): N 113.387 113.387 114.624 -1.237 RESID 233 (S): CA 62.348 62.348 62.141 0.207 RESID 233 (S): CB 61.630 61.630 60.706 0.924 RESID 233 (S): H 8.218 8.218 8.444 -0.226 RESID 234 (P): C 178.221 178.221 178.678 -0.457 RESID 235 (V): N 116.087 116.087 117.695 -1.608 RESID 235 (V): C 177.089 177.089 177.814 -0.725 RESID 235 (V): CA 65.072 65.072 66.138 -1.066 RESID 235 (V): CB 31.084 31.084 31.454 -0.370 RESID 235 (V): H 8.142 8.142 7.377 0.765 RESID 236 (D): N 121.556 121.556 120.328 1.228 RESID 236 (D): C 177.422 177.422 178.791 -1.369 RESID 236 (D): CA 57.135 57.135 56.980 0.155 RESID 236 (D): CB 40.065 40.065 39.987 0.077 RESID 236 (D): H 7.932 7.932 7.352 0.580 RESID 237 (V): N 117.233 117.233 120.296 -3.063 RESID 237 (V): CA 64.977 64.977 66.412 -1.435 RESID 237 (V): CB 31.013 31.013 31.867 -0.854 RESID 237 (V): H 7.710 7.710 8.084 -0.374 RESID 238 (V): C 177.584 177.584 176.480 1.104 RESID 238 (V): H 7.607 7.607 7.653 -0.046 RESID 239 (K): N 120.095 120.095 117.922 2.173 RESID 239 (K): C 178.678 178.678 178.376 0.302 RESID 239 (K): CA 58.483 58.483 58.688 -0.205 RESID 239 (K): CB 31.863 31.863 32.028 -0.165 RESID 239 (K): H 7.761 7.761 7.384 0.377 RESID 240 (T): N 115.247 115.247 111.896 3.351 RESID 240 (T): C 175.093 175.093 175.437 -0.344 RESID 240 (T): CA 66.458 66.458 63.982 2.476 RESID 240 (T): CB 68.011 68.011 69.431 -1.420 RESID 240 (T): H 7.761 7.761 7.607 0.154 RESID 241 (R): N 119.633 119.633 122.263 -2.630 RESID 241 (R): CA 57.133 57.133 58.079 -0.946 RESID 241 (R): CB 31.218 31.218 30.413 0.805 RESID 241 (R): H 7.383 7.383 7.471 -0.088 RESID 242 (Y): C 174.956 174.956 174.342 0.614 RESID 242 (Y): H 8.699 8.699 8.162 0.537 RESID 243 (M): N 118.458 118.458 123.115 -4.657 RESID 243 (M): C 175.676 175.676 175.571 0.105 RESID 243 (M): CA 54.417 54.417 57.057 -2.640 RESID 243 (M): H 7.442 7.442 8.326 -0.884 RESID 244 (N): N 116.369 116.369 118.471 -2.102 RESID 244 (N): C 174.919 174.919 173.841 1.078 RESID 244 (N): CA 59.470 59.470 53.305 6.165 RESID 244 (N): CB 39.079 39.079 37.946 1.133 RESID 244 (N): H 7.772 7.772 8.116 -0.344 RESID 245 (S): N 114.568 114.568 115.826 -1.258 RESID 245 (S): C 175.695 175.695 173.984 1.711 RESID 245 (S): CA 53.852 53.852 60.131 -6.279 RESID 245 (S): CB 61.232 61.232 62.866 -1.634 RESID 245 (S): H 8.475 8.475 8.523 -0.048 RESID 246 (A): N 127.283 127.283 123.156 4.127 RESID 246 (A): C 177.128 177.128 176.530 0.598 RESID 246 (A): CA 56.803 56.803 53.481 3.322 RESID 246 (A): CB 18.901 18.901 18.072 0.829 RESID 246 (A): H 7.929 7.929 8.603 -0.674 RESID 247 (L): N 118.112 118.112 116.468 1.644 RESID 247 (L): C 176.723 176.723 176.927 -0.204 RESID 247 (L): CA 54.156 54.156 54.139 0.017 RESID 247 (L): CB 41.215 41.215 42.934 -1.719 RESID 247 (L): H 7.922 7.922 8.586 -0.664 RESID 248 (G): N 107.203 107.203 107.305 -0.102 RESID 248 (G): CA 44.558 44.558 43.593 0.965 RESID 248 (G): H 8.318 8.318 7.758 0.560 RESID 250 (Y): C 175.942 175.942 175.190 0.752 RESID 250 (Y): H 8.134 8.134 7.799 0.335 RESID 251 (H): N 123.281 123.281 118.226 5.055 RESID 251 (H): C 174.531 174.531 175.482 -0.951 RESID 251 (H): CA 58.931 58.931 57.929 1.002 RESID 251 (H): CB 29.525 29.525 30.563 -1.038 RESID 251 (H): H 8.184 8.184 8.465 -0.281 RESID 252 (S): N 110.038 110.038 110.822 -0.784 RESID 252 (S): C 174.429 174.429 173.876 0.553 RESID 252 (S): CA 57.452 57.452 57.182 0.270 RESID 252 (S): CB 65.022 65.022 65.371 -0.349 RESID 252 (S): H 8.010 8.010 7.640 0.370 RESID 253 (A): N 123.034 123.034 123.887 -0.853 RESID 253 (A): C 179.249 179.249 179.833 -0.584 RESID 253 (A): CA 54.981 54.981 54.369 0.612 RESID 253 (A): CB 19.069 19.069 18.769 0.300 RESID 253 (A): H 8.034 8.034 8.785 -0.751 RESID 254 (G): N 106.379 106.379 106.598 -0.219 RESID 254 (G): C 174.433 174.433 175.309 -0.876 RESID 254 (G): CA 47.615 47.615 46.970 0.645 RESID 254 (G): H 8.427 8.427 8.171 0.256 RESID 255 (H): N 121.119 121.119 121.710 -0.591 RESID 255 (H): C 178.084 178.084 177.162 0.922 RESID 255 (H): CA 60.144 60.144 59.464 0.680 RESID 255 (H): CB 33.073 33.073 29.909 3.164 RESID 255 (H): H 8.304 8.304 7.812 0.492 RESID 256 (C): N 117.946 117.946 118.247 -0.301 RESID 256 (C): C 175.453 175.453 176.531 -1.078 RESID 256 (C): CA 58.668 58.668 64.067 -5.399 RESID 256 (C): CB 41.434 41.434 26.593 14.841 RESID 256 (C): H 8.168 8.168 8.030 0.138 RESID 257 (A): N 123.138 123.138 122.069 1.069 RESID 257 (A): C 179.489 179.489 179.510 -0.021 RESID 257 (A): CA 54.589 54.589 54.965 -0.376 RESID 257 (A): CB 17.675 17.675 18.229 -0.554 RESID 257 (A): H 7.932 7.932 7.410 0.522 RESID 258 (L): N 119.779 119.779 118.503 1.276 RESID 258 (L): C 178.234 178.234 178.751 -0.517 RESID 258 (L): CA 56.967 56.967 57.947 -0.980 RESID 258 (L): CB 41.067 41.067 42.071 -1.004 RESID 258 (L): H 7.681 7.681 7.820 -0.139 RESID 259 (T): N 114.552 114.552 116.460 -1.908 RESID 259 (T): C 176.244 176.244 176.754 -0.510 RESID 259 (T): CA 66.511 66.511 67.084 -0.573 RESID 259 (T): CB 67.274 67.274 68.593 -1.319 RESID 259 (T): H 7.855 7.855 8.359 -0.504 RESID 260 (M): N 118.862 118.862 120.449 -1.587 RESID 260 (M): C 177.094 177.094 177.152 -0.058 RESID 260 (M): CA 58.532 58.532 59.099 -0.567 RESID 260 (M): CB 32.288 32.288 32.456 -0.168 RESID 260 (M): H 8.296 8.296 8.158 0.138 RESID 261 (L): N 116.839 116.839 119.007 -2.168 RESID 261 (L): C 178.162 178.162 178.935 -0.773 RESID 261 (L): CA 58.167 58.167 57.472 0.695 RESID 261 (L): CB 42.202 42.202 41.954 0.248 RESID 261 (L): H 8.053 8.053 7.398 0.655 RESID 262 (R): N 116.821 116.821 117.889 -1.068 RESID 262 (R): CA 58.761 58.761 58.251 0.510 RESID 262 (R): CB 30.825 30.825 30.468 0.357 RESID 262 (R): H 7.827 7.827 7.571 0.256 RESID 266 (P): C 177.152 177.152 178.319 -1.167 RESID 266 (P): CA 65.152 65.152 64.103 1.049 RESID 267 (R): N 117.739 117.739 119.469 -1.730 RESID 267 (R): C 177.463 177.463 177.485 -0.022 RESID 267 (R): CA 59.335 59.335 58.311 1.024 RESID 267 (R): CB 30.185 30.185 29.768 0.417 RESID 267 (R): H 8.072 8.072 7.951 0.121 RESID 268 (A): N 121.709 121.709 120.635 1.074 RESID 268 (A): C 179.251 179.251 177.669 1.582 RESID 268 (A): CA 54.631 54.631 54.567 0.064 RESID 268 (A): CB 18.683 18.683 18.416 0.267 RESID 268 (A): H 7.963 7.963 7.711 0.252 RESID 269 (F): N 117.096 117.096 117.883 -0.787 RESID 269 (F): C 175.987 175.987 177.326 -1.339 RESID 269 (F): CA 61.037 61.037 60.644 0.393 RESID 269 (F): CB 38.637 38.637 39.515 -0.878 RESID 269 (F): H 7.832 7.832 7.675 0.157 RESID 270 (Y): N 118.496 118.496 119.551 -1.055 RESID 270 (Y): C 176.250 176.250 176.186 0.064 RESID 270 (Y): CA 60.116 60.116 59.894 0.222 RESID 270 (Y): CB 38.882 38.882 38.758 0.124 RESID 270 (Y): H 7.813 7.813 7.587 0.226 RESID 271 (K): N 119.458 119.458 119.406 0.052 RESID 271 (K): C 177.696 177.696 176.285 1.411 RESID 271 (K): CA 57.192 57.192 56.114 1.078 RESID 271 (K): CB 32.734 32.734 32.671 0.063 RESID 271 (K): H 7.864 7.864 7.800 0.064 RESID 272 (G): N 106.217 106.217 106.710 -0.493 RESID 272 (G): C 173.967 173.967 173.426 0.541 RESID 272 (G): CA 46.117 46.117 45.491 0.626 RESID 272 (G): H 7.622 7.622 8.012 -0.390 RESID 273 (F): N 118.847 118.847 117.633 1.214 RESID 273 (F): C 175.055 175.055 174.559 0.496 RESID 273 (F): CA 57.721 57.721 57.262 0.459 RESID 273 (F): CB 40.183 40.183 38.493 1.690 RESID 273 (F): H 7.677 7.677 7.493 0.184 RESID 277 (F): C 176.602 176.602 177.922 -1.320 RESID 277 (F): CA 61.838 61.838 61.121 0.717 RESID 277 (F): CB 39.537 39.537 38.619 0.918 RESID 277 (F): H 7.695 7.695 8.367 -0.672 RESID 278 (L): N 118.465 118.465 120.269 -1.804 RESID 278 (L): C 177.152 177.152 178.320 -1.168 RESID 278 (L): CA 56.115 56.115 58.324 -2.209 RESID 278 (L): CB 42.398 42.398 41.884 0.514 RESID 278 (L): H 8.104 8.104 7.869 0.235 RESID 279 (R): N 118.749 118.749 118.949 -0.200 RESID 279 (R): C 176.608 176.608 178.906 -2.298 RESID 279 (R): CA 56.938 56.938 59.819 -2.881 RESID 279 (R): CB 30.659 30.659 30.167 0.492 RESID 279 (R): H 7.472 7.472 7.925 -0.453 RESID 280 (L): N 120.305 120.305 118.080 2.225 RESID 280 (L): C 177.540 177.540 179.050 -1.510 RESID 280 (L): CA 57.094 57.094 58.239 -1.145 RESID 280 (L): CB 42.027 42.027 40.565 1.462 RESID 280 (L): H 7.690 7.690 8.084 -0.394 RESID 281 (G): N 106.837 106.837 107.794 -0.957 RESID 281 (G): C 174.045 174.045 176.085 -2.040 RESID 281 (G): CA 46.967 46.967 47.268 -0.301 RESID 281 (G): H 7.881 7.881 7.825 0.056 RESID 282 (S): N 115.531 115.531 118.543 -3.012 RESID 282 (S): C 174.123 174.123 175.991 -1.868 RESID 282 (S): CA 58.796 58.796 62.651 -3.855 RESID 282 (S): CB 58.975 58.975 63.186 -4.211 RESID 282 (S): H 7.813 7.813 7.543 0.270 RESID 283 (W): N 122.851 122.851 122.916 -0.065 RESID 283 (W): C 176.142 176.142 177.256 -1.114 RESID 283 (W): CA 59.221 59.221 60.851 -1.630 RESID 283 (W): CB 30.446 30.446 29.683 0.763 RESID 283 (W): H 8.186 8.186 8.557 -0.371 RESID 284 (N): N 118.459 118.459 117.685 0.774 RESID 284 (N): CA 55.325 55.325 56.222 -0.897 RESID 284 (N): CB 39.504 39.504 37.508 1.996 RESID 284 (N): H 8.127 8.127 8.225 -0.098 RESID 285 (V): C 177.263 177.263 177.646 -0.383 RESID 285 (V): H 7.854 7.854 7.227 0.627 RESID 286 (V): N 119.883 119.883 116.427 3.456 RESID 286 (V): C 177.072 177.072 177.560 -0.488 RESID 286 (V): CA 64.717 64.717 65.606 -0.889 RESID 286 (V): CB 29.553 29.553 31.485 -1.932 RESID 286 (V): H 7.483 7.483 7.190 0.293 RESID 287 (M): N 120.401 120.401 120.057 0.344 RESID 287 (M): C 177.594 177.594 177.788 -0.194 RESID 287 (M): CA 57.654 57.654 57.528 0.126 RESID 287 (M): CB 31.592 31.592 31.762 -0.170 RESID 287 (M): H 8.118 8.118 7.130 0.988 RESID 288 (F): N 122.234 122.234 120.366 1.868 RESID 288 (F): C 176.498 176.498 177.355 -0.857 RESID 288 (F): CA 61.766 61.766 61.977 -0.211 RESID 288 (F): CB 39.031 39.031 39.143 -0.112 RESID 288 (F): H 7.878 7.878 7.830 0.048 RESID 289 (V): N 118.907 118.907 114.974 3.933 RESID 289 (V): CA 64.566 64.566 65.989 -1.423 RESID 289 (V): CB 30.544 30.544 31.654 -1.110 RESID 289 (V): H 7.913 7.913 7.580 0.333 RESID 290 (T): C 175.376 175.376 176.515 -1.139 RESID 290 (T): H 8.095 8.095 7.500 0.595 RESID 291 (Y): N 118.029 118.029 121.415 -3.386 RESID 291 (Y): C 176.919 176.919 177.728 -0.809 RESID 291 (Y): CA 61.717 61.717 61.714 0.003 RESID 291 (Y): CB 38.020 38.020 37.821 0.199 RESID 291 (Y): H 7.986 7.986 7.508 0.478 RESID 292 (E): N 118.005 118.005 118.735 -0.730 RESID 292 (E): C 176.686 176.686 179.003 -2.317 RESID 292 (E): CA 60.084 60.084 59.519 0.565 RESID 292 (E): CB 29.443 29.443 28.874 0.569 RESID 292 (E): H 8.359 8.359 7.881 0.478 RESID 293 (Q): N 118.746 118.746 117.843 0.903 RESID 293 (Q): C 176.210 176.210 178.329 -2.119 RESID 293 (Q): CA 58.986 58.986 58.195 0.791 RESID 293 (Q): CB 28.784 28.784 28.323 0.461 RESID 293 (Q): H 7.704 7.704 7.442 0.262 RESID 294 (L): N 120.970 120.970 119.033 1.937 RESID 294 (L): C 178.084 178.084 178.415 -0.331 RESID 294 (L): CA 58.741 58.741 56.858 1.883 RESID 294 (L): CB 41.451 41.451 41.158 0.293 RESID 294 (L): H 7.995 7.995 7.367 0.628 RESID 295 (K): N 117.756 117.756 116.828 0.928 RESID 295 (K): CA 59.048 59.048 58.503 0.545 RESID 295 (K): CB 31.871 31.871 32.956 -1.085 RESID 295 (K): H 7.731 7.731 7.826 -0.095 RESID 296 (R): H 7.895 7.895 7.734 0.161 RESID 297 (A): C 176.488 176.488 176.597 -0.109 RESID 297 (A): H 8.223 8.223 8.296 -0.073 RESID 298 (L): N 117.376 117.376 121.320 -3.944 RESID 298 (L): C 178.628 178.628 176.830 1.798 RESID 298 (L): CA 58.217 58.217 55.352 2.865 RESID 298 (L): CB 41.905 41.905 41.724 0.181 RESID 298 (L): H 7.947 7.947 8.386 -0.439 RESID 299 (M): N 127.376 127.376 124.479 2.897 RESID 299 (M): C 178.472 178.472 175.373 3.099 RESID 299 (M): CA 58.461 58.461 53.758 4.703 RESID 299 (M): CB 32.110 32.110 30.893 1.217 RESID 299 (M): H 8.182 8.182 8.777 -0.595 RESID 300 (A): N 121.854 121.854 123.920 -2.066 RESID 300 (A): C 180.197 180.197 176.513 3.684 RESID 300 (A): CA 55.617 55.617 52.547 3.070 RESID 300 (A): CB 18.215 18.215 20.044 -1.829 RESID 300 (A): H 7.841 7.841 7.693 0.148 RESID 301 (A): N 121.224 121.224 128.472 -7.248 RESID 301 (A): C 178.939 178.939 178.100 0.839 RESID 301 (A): CA 55.186 55.186 54.466 0.720 RESID 301 (A): CB 18.735 18.735 18.998 -0.263 RESID 301 (A): H 7.872 7.872 8.715 -0.843 RESID 302 (Y): N 118.183 118.183 119.927 -1.744 RESID 302 (Y): C 176.841 176.841 177.616 -0.775 RESID 302 (Y): CA 60.868 60.868 61.428 -0.560 RESID 302 (Y): CB 39.344 39.344 38.144 1.200 RESID 302 (Y): H 8.100 8.100 8.499 -0.399 RESID 303 (Q): N 117.243 117.243 118.894 -1.651 RESID 303 (Q): C 176.997 176.997 178.351 -1.354 RESID 303 (Q): CA 58.787 58.787 59.079 -0.292 RESID 303 (Q): CB 29.216 29.216 27.979 1.237 RESID 303 (Q): H 8.059 8.059 8.640 -0.581 RESID 304 (S): N 114.721 114.721 114.519 0.202 RESID 304 (S): C 174.511 174.511 175.973 -1.462 RESID 304 (S): CA 59.720 59.720 61.108 -1.388 RESID 304 (S): CB 63.896 63.896 63.001 0.895 RESID 304 (S): H 7.718 7.718 7.743 -0.025 RESID 305 (R): N 121.401 121.401 119.505 1.896 RESID 305 (R): C 175.521 175.521 178.174 -2.653 RESID 305 (R): CA 59.639 59.639 58.344 1.295 RESID 305 (R): CB 30.568 30.568 30.540 0.028 RESID 305 (R): H 7.609 7.609 8.219 -0.610 RESID 306 (E): N 120.090 120.090 116.948 3.142 RESID 306 (E): C 177.648 177.648 179.267 -1.619 RESID 306 (E): CA 59.624 59.624 58.611 1.014 RESID 306 (E): CB 30.362 30.362 29.112 1.250 RESID 306 (E): H 7.909 7.909 7.775 0.134 RESID 307 (A): N 121.234 121.234 124.979 -3.745 RESID 307 (A): C 176.014 176.014 177.222 -1.208 RESID 307 (A): CA 56.844 56.844 55.490 1.354 RESID 307 (A): CB 17.735 17.735 16.904 0.831 RESID 307 (A): H 7.760 7.760 7.823 -0.063 N HA C CA CB H RESID 16 (K): 0.331 ----- -2.225 0.365 0.819 -0.664 RESID 17 (F): -1.570 ----- -1.855 -0.940 0.645 -0.175 RESID 18 (L): -0.544 ----- -0.789 -1.184 1.843 -0.475 RESID 19 (G): 0.729 ----- -0.640 -1.643 ----- -0.553 RESID 20 (A): 0.406 ----- -0.005 0.158 0.892 0.293 RESID 21 (G): 0.948 ----- -0.530 -0.544 ----- 0.634 RESID 22 (T): 2.659 ----- -0.331 1.079 0.303 -0.330 RESID 23 (A): -0.268 ----- -0.402 0.374 0.167 0.882 RESID 24 (A): -1.115 ----- -0.266 0.079 0.307 -0.147 RESID 25 (C): -0.714 ----- -0.811 -5.217 13.805 0.246 RESID 26 (I): 0.601 ----- -0.269 0.499 1.043 0.098 RESID 27 (A): -1.532 ----- -0.346 0.216 0.080 -0.110 RESID 28 (D): -1.214 ----- -0.741 -1.072 0.084 -0.027 RESID 29 (L): -1.391 ----- 0.056 -1.264 0.865 0.333 RESID 30 (I): -0.587 ----- -0.271 -3.030 0.817 0.282 RESID 31 (T): 1.422 ----- -1.652 -0.539 -0.337 0.581 RESID 32 (F): -1.211 ----- ----- -6.852 1.900 -1.009 RESID 33 (P): ----- ----- 0.180 -2.609 3.707 ----- RESID 34 (L): 6.610 ----- -1.066 -1.943 1.310 1.295 RESID 35 (D): 3.827 ----- -0.688 -2.804 1.144 0.516 RESID 36 (T): 5.126 ----- 0.694 -0.436 0.195 0.287 RESID 37 (A): 1.119 ----- -0.137 0.288 0.221 0.258 RESID 38 (K): -0.079 ----- 0.068 -0.000 0.893 0.214 RESID 39 (V): 0.521 ----- -0.022 0.401 2.764 0.195 RESID 40 (R): 2.132 ----- -0.343 2.213 0.413 0.405 RESID 41 (L): -3.462 ----- ----- 0.315 1.025 -0.246 RESID 49 (G): ----- ----- -0.617 ----- ----- ----- RESID 50 (L): 0.818 ----- 0.679 -0.622 -0.263 0.234 RESID 51 (V): -0.351 ----- 1.498 0.052 -1.021 0.230 RESID 52 (R): 5.389 ----- ----- 0.812 0.039 0.026 RESID 53 (T): ----- ----- 0.178 ----- ----- 0.520 RESID 54 (A): -1.549 ----- -1.177 -2.361 -0.377 -0.057 RESID 55 (A): -6.714 ----- 1.079 0.889 -0.586 -1.298 RESID 56 (S): 11.750 ----- 1.362 2.121 0.721 0.064 RESID 57 (A): -2.674 ----- ----- 0.852 -0.486 -0.292 RESID 59 (Y): ----- ----- 2.320 ----- ----- ----- RESID 60 (R): 2.430 ----- 1.513 1.425 0.344 -0.231 RESID 61 (G): 0.656 ----- 0.453 1.318 ----- -0.009 RESID 62 (V): -0.229 ----- 0.215 1.932 0.553 -0.226 RESID 63 (L): 0.525 ----- -0.681 1.047 1.483 -0.169 RESID 64 (G): 0.132 ----- 0.449 0.667 ----- 0.429 RESID 65 (T): 4.403 ----- -0.309 1.943 -0.036 0.365 RESID 66 (I): 2.820 ----- -0.104 1.721 0.962 0.601 RESID 67 (L): 0.221 ----- 0.426 0.119 -0.297 0.618 RESID 68 (T): -0.224 ----- 0.027 0.854 0.726 0.524 RESID 69 (M): 4.108 ----- -1.103 1.345 1.250 0.348 RESID 70 (V): 1.038 ----- -1.022 0.549 -0.120 0.309 RESID 71 (R): -0.131 ----- -0.868 0.402 0.523 0.343 RESID 72 (T): -2.485 ----- -0.238 -1.857 1.116 0.094 RESID 73 (E): 2.149 ----- 1.763 1.260 -1.019 0.025 RESID 74 (G): 1.170 ----- ----- 1.020 ----- 0.358 RESID 75 (P): ----- ----- -1.418 1.220 -0.115 ----- RESID 76 (R): 0.356 ----- 0.490 1.618 0.142 -0.143 RESID 77 (S): 1.747 ----- 1.709 0.495 -0.703 -0.142 RESID 78 (L): 2.055 ----- -0.732 0.737 0.043 0.031 RESID 79 (Y): 3.487 ----- 0.796 1.944 0.036 0.381 RESID 80 (N): -1.170 ----- 2.869 0.110 -0.962 1.061 RESID 81 (G): -4.399 ----- 0.191 0.423 ----- -0.627 RESID 82 (L): 3.866 ----- 0.453 0.379 1.656 0.130 RESID 83 (V): -0.982 ----- 0.724 -0.188 0.932 -0.083 RESID 84 (A): -0.499 ----- 0.610 0.427 -0.194 -0.108 RESID 85 (G): -1.276 ----- -0.503 0.449 ----- 0.327 RESID 86 (L): 0.279 ----- -0.669 -0.077 1.240 0.652 RESID 87 (Q): -0.148 ----- -1.054 -1.097 0.728 0.213 RESID 88 (R): -1.445 ----- -1.041 -1.438 0.879 0.149 RESID 89 (Q): 0.551 ----- -0.988 -0.946 0.622 0.282 RESID 90 (M): -1.709 ----- -1.908 -1.374 1.088 -0.576 RESID 91 (S): 0.564 ----- -0.484 -2.248 1.333 0.058 RESID 92 (F): 0.021 ----- 0.756 -1.969 -0.044 0.758 RESID 93 (A): 3.485 ----- -0.127 0.669 -0.202 0.501 RESID 94 (S): -2.333 ----- -0.269 -0.641 0.009 0.367 RESID 95 (V): 3.006 ----- -0.358 -0.268 0.632 -0.456 RESID 96 (R): 2.172 ----- -0.292 1.068 1.393 0.758 RESID 97 (I): 1.229 ----- 1.025 1.200 0.147 0.389 RESID 98 (G): 2.187 ----- 0.901 0.910 ----- 0.412 RESID 99 (L): 1.005 ----- -0.318 1.495 1.659 0.249 RESID 100 (Y): -0.888 ----- 0.024 -0.961 0.382 0.134 RESID 101 (D): -0.230 ----- 0.312 0.147 0.410 -0.315 RESID 102 (S): -0.487 ----- -0.083 1.147 0.920 0.196 RESID 103 (V): -0.085 ----- 0.581 2.022 0.073 0.413 RESID 104 (K): 0.885 ----- -0.107 0.359 -0.167 0.402 RESID 105 (Q): 1.301 ----- -0.112 0.906 -0.337 -0.166 RESID 106 (F): 1.636 ----- 1.182 0.780 0.119 0.215 RESID 107 (Y): 3.642 ----- 0.040 1.723 -1.386 0.731 RESID 108 (T): -0.102 ----- -1.118 3.164 1.951 0.194 RESID 113 (H): ----- ----- -0.275 ----- ----- -0.218 RESID 114 (A): 0.599 ----- 1.921 1.564 -0.128 1.017 RESID 115 (G): 3.800 ----- -0.142 0.719 ----- 0.131 RESID 116 (I): -1.325 ----- -1.237 -0.024 1.931 -0.184 RESID 117 (G): 3.486 ----- -1.992 -0.630 ----- 0.116 RESID 118 (S): -1.648 ----- -1.153 -1.501 0.819 -0.015 RESID 119 (R): 1.424 ----- -0.382 -0.641 0.926 -0.638 RESID 120 (L): -2.205 ----- -1.715 0.110 0.533 0.074 RESID 121 (L): -0.952 ----- -2.174 -2.618 0.771 -0.674 RESID 122 (A): 1.573 ----- -1.469 -2.155 1.101 -1.239 RESID 123 (G): 1.116 ----- 0.428 -1.243 ----- -0.897 RESID 124 (S): -1.283 ----- -1.229 -3.088 1.472 -0.300 RESID 125 (T): -3.539 ----- -0.571 0.158 1.091 -0.230 RESID 126 (T): -1.655 ----- 0.937 -0.859 -0.046 -0.497 RESID 127 (G): 7.148 ----- -0.881 -0.799 ----- 0.067 RESID 128 (A): -0.457 ----- -1.475 -1.523 0.825 0.435 RESID 129 (L): 0.769 ----- -0.943 -1.020 1.450 0.370 RESID 130 (A): 1.673 ----- -1.951 -1.788 0.688 -0.476 RESID 131 (V): 0.456 ----- -1.513 -2.236 2.009 -0.530 RESID 132 (A): 1.906 ----- 0.405 -1.064 0.352 0.350 RESID 133 (V): -5.803 ----- -1.359 -0.188 -0.443 -0.560 RESID 134 (A): 2.415 ----- ----- 4.538 ----- 0.065 RESID 136 (P): ----- ----- -1.332 ----- ----- ----- RESID 137 (T): 0.198 ----- -2.077 -2.183 1.658 -0.103 RESID 138 (D): 0.787 ----- 0.122 -0.280 0.223 0.589 RESID 139 (V): 0.221 ----- 0.052 0.450 0.715 0.074 RESID 140 (V): 3.594 ----- -1.627 0.057 1.475 0.653 RESID 141 (K): -1.045 ----- -2.995 -3.755 -0.284 0.176 RESID 142 (V): 1.130 ----- ----- -3.045 ----- 0.142 RESID 143 (R): ----- ----- -0.482 ----- ----- 0.224 RESID 144 (F): -0.649 ----- 0.475 0.533 ----- -0.347 RESID 145 (Q): 5.165 ----- -2.679 -2.498 1.663 0.198 RESID 146 (A): 0.023 ----- 0.185 0.119 -0.230 0.585 RESID 147 (Q): -0.881 ----- 0.723 0.643 0.836 0.608 RESID 148 (A): -4.913 ----- 0.659 -0.056 0.613 -0.512 RESID 149 (R): 0.456 ----- ----- -2.083 1.648 -0.354 RESID 159 (T): ----- ----- -0.471 ----- ----- ----- RESID 160 (V): -3.048 ----- 0.527 -1.216 -0.122 -0.003 RESID 161 (E): 2.224 ----- 0.155 0.505 1.109 0.439 RESID 162 (A): 0.149 ----- 0.240 0.286 0.032 -0.506 RESID 163 (Y): -0.491 ----- -0.788 -0.900 -0.850 0.008 RESID 164 (K): 2.423 ----- -0.959 1.225 0.457 0.708 RESID 165 (T): -0.145 ----- -0.887 0.664 0.663 -0.349 RESID 166 (I): 3.769 ----- 0.202 -0.046 1.795 0.148 RESID 167 (A): -1.459 ----- -0.868 0.030 0.325 0.342 RESID 168 (R): -2.085 ----- -1.379 -0.299 0.806 -0.185 RESID 169 (E): 0.977 ----- -0.615 -0.406 0.379 0.412 RESID 170 (E): 0.238 ----- 0.614 0.899 0.600 0.283 RESID 171 (G): 0.344 ----- -0.187 0.928 ----- 0.327 RESID 172 (I): -0.420 ----- -0.016 0.361 0.364 0.183 RESID 173 (R): -0.744 ----- -0.370 -0.394 0.624 -0.245 RESID 174 (G): -1.286 ----- -1.066 -0.162 ----- -1.257 RESID 175 (L): -0.169 ----- -0.636 0.512 0.905 0.208 RESID 176 (W): -1.162 ----- -1.429 -0.241 1.460 -0.372 RESID 177 (K): 0.611 ----- -0.978 -1.849 1.032 0.097 RESID 178 (G): 3.684 ----- -1.278 0.231 ----- -0.381 RESID 179 (T): -1.336 ----- -1.462 1.322 1.666 -0.118 RESID 180 (S): 0.860 ----- ----- 0.395 -0.006 0.349 RESID 182 (N): ----- ----- -0.405 ----- ----- ----- RESID 183 (V): -1.978 ----- -0.572 -1.188 0.869 0.174 RESID 184 (A): 0.612 ----- -1.195 0.109 10.042 0.633 RESID 185 (R): -1.315 ----- -1.002 -0.297 -0.249 -0.584 RESID 186 (N): -0.641 ----- -0.540 0.420 1.220 0.114 RESID 187 (A): -1.654 ----- -0.992 0.449 -0.450 -0.313 RESID 188 (I): -0.016 ----- -1.621 0.214 0.902 -0.570 RESID 189 (V): -3.395 ----- -0.696 -1.847 0.569 -0.617 RESID 190 (N): -0.193 ----- -1.505 0.490 -0.142 -0.150 RESID 191 (C): 1.859 ----- -0.922 -4.255 14.165 -0.353 RESID 192 (A): -0.266 ----- -0.819 0.116 -0.107 -0.587 RESID 193 (E): -5.053 ----- -2.063 -1.105 -0.208 -0.738 RESID 194 (L): -2.905 ----- -1.527 -2.472 -0.391 -0.507 RESID 195 (V): 2.423 ----- -0.932 -1.324 -0.381 0.023 RESID 196 (T): 5.130 ----- -1.415 -1.429 0.821 0.168 RESID 197 (Y): 0.192 ----- 0.369 0.094 -0.439 0.281 RESID 198 (D): -1.036 ----- -0.794 0.008 0.118 0.348 RESID 199 (L): 1.523 ----- 0.870 0.717 0.943 0.286 RESID 200 (I): 2.399 ----- -1.023 2.031 0.830 0.441 RESID 201 (K): 1.260 ----- -0.590 1.302 -0.554 0.657 RESID 202 (D): 1.530 ----- 1.841 1.485 0.420 0.354 RESID 203 (T): 1.240 ----- ----- -1.056 -0.879 0.369 RESID 204 (L): ----- ----- 0.982 ----- ----- -0.674 RESID 205 (L): 0.959 ----- 2.185 1.672 0.523 0.124 RESID 206 (K): 0.875 ----- 1.026 0.254 0.330 -0.413 RESID 207 (A): -0.775 ----- -0.548 0.707 -1.053 -0.526 RESID 208 (N): 0.339 ----- 0.864 1.223 0.459 -0.288 RESID 212 (D): ----- ----- -0.594 ----- ----- ----- RESID 213 (D): -5.347 ----- -1.559 1.835 -1.245 -0.209 RESID 214 (L): -4.443 ----- ----- 0.896 0.173 -0.138 RESID 215 (P): ----- ----- -1.061 0.010 -0.843 ----- RESID 216 (C): -0.154 ----- -0.587 -3.006 13.550 0.593 RESID 217 (H): 0.446 ----- -0.542 -2.884 0.584 -0.218 RESID 218 (F): 1.797 ----- -1.686 -2.888 0.440 0.411 RESID 219 (T): -0.237 ----- -0.990 -2.126 -5.061 -0.338 RESID 220 (S): -0.724 ----- -1.542 -0.058 0.618 0.198 RESID 221 (A): -0.579 ----- -1.517 -0.949 0.296 0.074 RESID 222 (F): -3.803 ----- -1.358 -2.889 0.591 -0.495 RESID 223 (G): 2.542 ----- -1.702 -1.090 ----- -0.124 RESID 224 (A): -1.365 ----- -1.063 -0.886 0.633 0.262 RESID 225 (G): 0.505 ----- -0.548 0.027 ----- -0.275 RESID 226 (F): 1.456 ----- -0.996 0.328 -0.142 0.503 RESID 227 (C): -0.830 ----- ----- -0.570 13.402 0.292 RESID 228 (T): ----- ----- -0.229 ----- ----- 0.243 RESID 229 (T): -1.076 ----- 0.233 -0.268 -1.103 -0.006 RESID 230 (V): -1.686 ----- -0.144 0.729 -0.242 0.456 RESID 231 (I): 1.294 ----- -0.442 2.998 1.193 1.059 RESID 232 (A): -0.191 ----- -0.681 0.178 -0.750 0.260 RESID 233 (S): -1.237 ----- ----- 0.207 0.924 -0.226 RESID 234 (P): ----- ----- -0.457 ----- ----- ----- RESID 235 (V): -1.608 ----- -0.725 -1.066 -0.370 0.765 RESID 236 (D): 1.228 ----- -1.369 0.155 0.077 0.580 RESID 237 (V): -3.063 ----- ----- -1.435 -0.854 -0.374 RESID 238 (V): ----- ----- 1.104 ----- ----- -0.046 RESID 239 (K): 2.173 ----- 0.302 -0.205 -0.165 0.377 RESID 240 (T): 3.351 ----- -0.344 2.476 -1.420 0.154 RESID 241 (R): -2.630 ----- ----- -0.946 0.805 -0.088 RESID 242 (Y): ----- ----- 0.614 ----- ----- 0.537 RESID 243 (M): -4.657 ----- 0.105 -2.640 ----- -0.884 RESID 244 (N): -2.102 ----- 1.078 6.165 1.133 -0.344 RESID 245 (S): -1.258 ----- 1.711 -6.279 -1.634 -0.048 RESID 246 (A): 4.127 ----- 0.598 3.322 0.829 -0.674 RESID 247 (L): 1.644 ----- -0.204 0.017 -1.719 -0.664 RESID 248 (G): -0.102 ----- ----- 0.965 ----- 0.560 RESID 250 (Y): ----- ----- 0.752 ----- ----- 0.335 RESID 251 (H): 5.055 ----- -0.951 1.002 -1.038 -0.281 RESID 252 (S): -0.784 ----- 0.553 0.270 -0.349 0.370 RESID 253 (A): -0.853 ----- -0.584 0.612 0.300 -0.751 RESID 254 (G): -0.219 ----- -0.876 0.645 ----- 0.256 RESID 255 (H): -0.591 ----- 0.922 0.680 3.164 0.492 RESID 256 (C): -0.301 ----- -1.078 -5.399 14.841 0.138 RESID 257 (A): 1.069 ----- -0.021 -0.376 -0.554 0.522 RESID 258 (L): 1.276 ----- -0.517 -0.980 -1.004 -0.139 RESID 259 (T): -1.908 ----- -0.510 -0.573 -1.319 -0.504 RESID 260 (M): -1.587 ----- -0.058 -0.567 -0.168 0.138 RESID 261 (L): -2.168 ----- -0.773 0.695 0.248 0.655 RESID 262 (R): -1.068 ----- ----- 0.510 0.357 0.256 RESID 266 (P): ----- ----- -1.167 1.049 ----- ----- RESID 267 (R): -1.730 ----- -0.022 1.024 0.417 0.121 RESID 268 (A): 1.074 ----- 1.582 0.064 0.267 0.252 RESID 269 (F): -0.787 ----- -1.339 0.393 -0.878 0.157 RESID 270 (Y): -1.055 ----- 0.064 0.222 0.124 0.226 RESID 271 (K): 0.052 ----- 1.411 1.078 0.063 0.064 RESID 272 (G): -0.493 ----- 0.541 0.626 ----- -0.390 RESID 273 (F): 1.214 ----- 0.496 0.459 1.690 0.184 RESID 277 (F): ----- ----- -1.320 0.717 0.918 -0.672 RESID 278 (L): -1.804 ----- -1.168 -2.209 0.514 0.235 RESID 279 (R): -0.200 ----- -2.298 -2.881 0.492 -0.453 RESID 280 (L): 2.225 ----- -1.510 -1.145 1.462 -0.394 RESID 281 (G): -0.957 ----- -2.040 -0.301 ----- 0.056 RESID 282 (S): -3.012 ----- -1.868 -3.855 -4.211 0.270 RESID 283 (W): -0.065 ----- -1.114 -1.630 0.763 -0.371 RESID 284 (N): 0.774 ----- ----- -0.897 1.996 -0.098 RESID 285 (V): ----- ----- -0.383 ----- ----- 0.627 RESID 286 (V): 3.456 ----- -0.488 -0.889 -1.932 0.293 RESID 287 (M): 0.344 ----- -0.194 0.126 -0.170 0.988 RESID 288 (F): 1.868 ----- -0.857 -0.211 -0.112 0.048 RESID 289 (V): 3.933 ----- ----- -1.423 -1.110 0.333 RESID 290 (T): ----- ----- -1.139 ----- ----- 0.595 RESID 291 (Y): -3.386 ----- -0.809 0.003 0.199 0.478 RESID 292 (E): -0.730 ----- -2.317 0.565 0.569 0.478 RESID 293 (Q): 0.903 ----- -2.119 0.791 0.461 0.262 RESID 294 (L): 1.937 ----- -0.331 1.883 0.293 0.628 RESID 295 (K): 0.928 ----- ----- 0.545 -1.085 -0.095 RESID 296 (R): ----- ----- ----- ----- ----- 0.161 RESID 297 (A): ----- ----- -0.109 ----- ----- -0.073 RESID 298 (L): -3.944 ----- 1.798 2.865 0.181 -0.439 RESID 299 (M): 2.897 ----- 3.099 4.703 1.217 -0.595 RESID 300 (A): -2.066 ----- 3.684 3.070 -1.829 0.148 RESID 301 (A): -7.248 ----- 0.839 0.720 -0.263 -0.843 RESID 302 (Y): -1.744 ----- -0.775 -0.560 1.200 -0.399 RESID 303 (Q): -1.651 ----- -1.354 -0.292 1.237 -0.581 RESID 304 (S): 0.202 ----- -1.462 -1.388 0.895 -0.025 RESID 305 (R): 1.896 ----- -2.653 1.295 0.028 -0.610 RESID 306 (E): 3.142 ----- -1.619 1.014 1.250 0.134 RESID 307 (A): -3.745 ----- -1.208 1.354 0.831 -0.063 DATA CS_STAT_INFO N RMS: 2.377 ppm Count: 236 Average Difference: -0.188 +/- 2.374 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.120 ppm Count: 239 Average Difference: 0.378 +/- 1.056 ppm DATA CS_STAT_INFO CA RMS: 1.667 ppm Count: 241 Average Difference: 0.116 +/- 1.666 ppm DATA CS_STAT_INFO CB RMS: 2.468 ppm Count: 215 Average Difference: -0.697 +/- 2.373 ppm DATA CS_STAT_INFO HN RMS: 0.444 ppm Count: 249 Average Difference: -0.049 +/- 0.442 ppm ############################################################################ For conformer 14: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 124.743 -1.648 RESID 15 (V): C 176.453 176.453 177.420 -0.967 RESID 15 (V): CA 63.979 63.979 61.612 2.367 RESID 15 (V): CB 32.507 32.507 33.143 -0.636 RESID 15 (V): H 8.053 8.053 7.773 0.280 RESID 16 (K): N 123.075 123.075 125.081 -2.006 RESID 16 (K): C 176.841 176.841 179.282 -2.441 RESID 16 (K): CA 59.762 59.762 59.190 0.572 RESID 16 (K): CB 32.751 32.751 32.241 0.510 RESID 16 (K): H 8.059 8.059 8.792 -0.733 RESID 17 (F): N 118.838 118.838 120.672 -1.834 RESID 17 (F): C 175.443 175.443 177.569 -2.126 RESID 17 (F): CA 59.915 59.915 60.086 -0.171 RESID 17 (F): CB 39.659 39.659 38.588 1.071 RESID 17 (F): H 7.909 7.909 8.094 -0.185 RESID 18 (L): N 119.089 119.089 120.120 -1.031 RESID 18 (L): C 177.195 177.195 177.601 -0.406 RESID 18 (L): CA 55.385 55.385 56.520 -1.135 RESID 18 (L): CB 42.905 42.905 41.719 1.186 RESID 18 (L): H 7.814 7.814 8.084 -0.270 RESID 19 (G): N 108.484 108.484 107.729 0.755 RESID 19 (G): C 174.967 174.967 175.504 -0.537 RESID 19 (G): CA 45.518 45.518 47.094 -1.576 RESID 19 (G): H 8.032 8.032 8.393 -0.361 RESID 20 (A): N 124.208 124.208 123.740 0.468 RESID 20 (A): C 179.405 179.405 178.957 0.448 RESID 20 (A): CA 54.531 54.531 54.378 0.153 RESID 20 (A): CB 18.995 18.995 18.338 0.657 RESID 20 (A): H 8.318 8.318 7.923 0.395 RESID 21 (G): N 108.209 108.209 107.189 1.020 RESID 21 (G): C 175.676 175.676 176.200 -0.524 RESID 21 (G): CA 46.742 46.742 47.140 -0.398 RESID 21 (G): H 8.523 8.523 7.894 0.629 RESID 22 (T): N 119.542 119.542 117.796 1.746 RESID 22 (T): C 175.661 175.661 175.817 -0.156 RESID 22 (T): CA 66.401 66.401 66.145 0.256 RESID 22 (T): CB 68.866 68.866 68.613 0.253 RESID 22 (T): H 7.881 7.881 8.185 -0.304 RESID 23 (A): N 123.431 123.431 123.508 -0.077 RESID 23 (A): C 178.628 178.628 178.975 -0.347 RESID 23 (A): CA 55.480 55.480 55.068 0.412 RESID 23 (A): CB 18.218 18.218 18.016 0.202 RESID 23 (A): H 8.263 8.263 7.403 0.860 RESID 24 (A): N 119.939 119.939 120.512 -0.573 RESID 24 (A): C 179.172 179.172 179.396 -0.224 RESID 24 (A): CA 55.038 55.038 54.971 0.067 RESID 24 (A): CB 18.385 18.385 18.048 0.337 RESID 24 (A): H 7.827 7.827 8.227 -0.400 RESID 25 (C): N 116.736 116.736 117.106 -0.370 RESID 25 (C): C 176.220 176.220 176.971 -0.751 RESID 25 (C): CA 58.596 58.596 63.818 -5.222 RESID 25 (C): CB 41.771 41.771 28.186 13.585 RESID 25 (C): H 7.677 7.677 7.368 0.309 RESID 26 (I): N 119.154 119.154 118.418 0.736 RESID 26 (I): C 176.915 176.915 177.258 -0.343 RESID 26 (I): CA 64.858 64.858 64.256 0.602 RESID 26 (I): CB 38.090 38.090 37.004 1.086 RESID 26 (I): H 7.899 7.899 7.594 0.305 RESID 27 (A): N 121.116 121.116 122.007 -0.891 RESID 27 (A): C 179.016 179.016 178.821 0.195 RESID 27 (A): CA 55.367 55.367 55.088 0.279 RESID 27 (A): CB 18.385 18.385 18.739 -0.354 RESID 27 (A): H 7.909 7.909 7.921 -0.012 RESID 28 (D): N 116.829 116.829 117.147 -0.318 RESID 28 (D): C 177.643 177.643 178.332 -0.689 RESID 28 (D): CA 56.453 56.453 56.388 0.065 RESID 28 (D): CB 41.128 41.128 40.574 0.554 RESID 28 (D): H 7.554 7.554 7.567 -0.013 RESID 29 (L): N 119.672 119.672 120.722 -1.050 RESID 29 (L): C 178.628 178.628 179.259 -0.631 RESID 29 (L): CA 57.144 57.144 57.922 -0.778 RESID 29 (L): CB 43.146 43.146 41.566 1.581 RESID 29 (L): H 7.732 7.732 7.293 0.439 RESID 30 (I): N 113.629 113.629 111.957 1.672 RESID 30 (I): C 176.456 176.456 176.949 -0.493 RESID 30 (I): CA 60.539 60.539 63.770 -3.231 RESID 30 (I): CB 38.506 38.506 37.670 0.836 RESID 30 (I): H 7.977 7.977 7.641 0.336 RESID 31 (T): N 113.314 113.314 116.233 -2.919 RESID 31 (T): C 174.045 174.045 175.485 -1.440 RESID 31 (T): CA 62.495 62.495 63.819 -1.324 RESID 31 (T): CB 69.898 69.898 69.760 0.138 RESID 31 (T): H 7.738 7.738 7.404 0.334 RESID 32 (F): N 123.409 123.409 123.946 -0.537 RESID 32 (F): CA 56.349 56.349 61.948 -5.599 RESID 32 (F): CB 39.148 39.148 37.364 1.784 RESID 32 (F): H 7.609 7.609 8.661 -1.052 RESID 33 (P): C 177.831 177.831 177.518 0.313 RESID 33 (P): CA 62.656 62.656 64.971 -2.314 RESID 33 (P): CB 34.762 34.762 31.039 3.723 RESID 34 (L): N 124.503 124.503 116.388 8.115 RESID 34 (L): C 176.298 176.298 178.341 -2.043 RESID 34 (L): CA 55.545 55.545 57.198 -1.653 RESID 34 (L): CB 43.287 43.287 41.507 1.780 RESID 34 (L): H 8.659 8.659 7.168 1.491 RESID 35 (D): N 121.663 121.663 117.711 3.952 RESID 35 (D): C 177.152 177.152 178.095 -0.943 RESID 35 (D): CA 54.326 54.326 56.755 -2.429 RESID 35 (D): CB 41.154 41.154 39.698 1.456 RESID 35 (D): H 8.236 8.236 7.711 0.525 RESID 36 (T): N 115.977 115.977 111.929 4.048 RESID 36 (T): C 177.088 177.088 176.226 0.862 RESID 36 (T): CA 64.868 64.868 65.614 -0.746 RESID 36 (T): CB 69.053 69.053 68.313 0.740 RESID 36 (T): H 8.127 8.127 7.653 0.474 RESID 37 (A): N 125.063 125.063 123.568 1.495 RESID 37 (A): C 179.143 179.143 179.197 -0.054 RESID 37 (A): CA 55.234 55.234 54.979 0.255 RESID 37 (A): CB 18.735 18.735 18.338 0.397 RESID 37 (A): H 8.042 8.042 7.472 0.570 RESID 38 (K): N 117.827 117.827 117.831 -0.004 RESID 38 (K): C 178.239 178.239 178.429 -0.190 RESID 38 (K): CA 58.861 58.861 58.957 -0.096 RESID 38 (K): CB 32.724 32.724 32.013 0.711 RESID 38 (K): H 7.759 7.759 7.573 0.186 RESID 39 (V): N 118.955 118.955 115.456 3.499 RESID 39 (V): C 177.892 177.892 178.121 -0.229 RESID 39 (V): CA 65.478 65.478 64.462 1.016 RESID 39 (V): CB 34.675 34.675 31.360 3.315 RESID 39 (V): H 7.554 7.554 7.421 0.133 RESID 40 (R): N 119.922 119.922 119.358 0.564 RESID 40 (R): C 178.391 178.391 178.834 -0.443 RESID 40 (R): CA 59.648 59.648 57.825 1.823 RESID 40 (R): CB 29.933 29.933 29.707 0.226 RESID 40 (R): H 7.794 7.794 7.441 0.353 RESID 41 (L): N 118.720 118.720 122.029 -3.309 RESID 41 (L): CA 54.749 54.749 54.227 0.522 RESID 41 (L): CB 40.429 40.429 40.323 0.106 RESID 41 (L): H 7.534 7.534 7.522 0.012 RESID 49 (G): C 174.779 174.779 175.063 -0.284 RESID 50 (L): N 123.029 123.029 121.330 1.699 RESID 50 (L): C 178.482 178.482 177.975 0.507 RESID 50 (L): CA 56.765 56.765 57.086 -0.321 RESID 50 (L): CB 41.673 41.673 41.897 -0.223 RESID 50 (L): H 8.113 8.113 7.855 0.258 RESID 51 (V): N 118.714 118.714 115.150 3.564 RESID 51 (V): C 178.032 178.032 178.071 -0.039 RESID 51 (V): CA 66.037 66.037 65.282 0.755 RESID 51 (V): CB 30.763 30.763 30.334 0.429 RESID 51 (V): H 7.974 7.974 7.870 0.104 RESID 52 (R): N 121.569 121.569 120.361 1.208 RESID 52 (R): CA 59.167 59.167 59.133 0.034 RESID 52 (R): CB 29.437 29.437 29.855 -0.417 RESID 52 (R): H 8.231 8.231 8.290 -0.059 RESID 53 (T): C 175.108 175.108 174.979 0.129 RESID 53 (T): H 7.948 7.948 7.493 0.455 RESID 54 (A): N 121.823 121.823 123.575 -1.752 RESID 54 (A): C 174.922 174.922 176.723 -1.801 RESID 54 (A): CA 50.101 50.101 50.694 -0.593 RESID 54 (A): CB 18.950 18.950 18.670 0.280 RESID 54 (A): H 7.792 7.792 7.888 -0.096 RESID 55 (A): N 113.986 113.986 124.385 -10.399 RESID 55 (A): C 178.007 178.007 177.093 0.914 RESID 55 (A): CA 53.458 53.458 54.336 -0.878 RESID 55 (A): CB 18.809 18.809 18.689 0.120 RESID 55 (A): H 7.333 7.333 8.680 -1.347 RESID 56 (S): N 125.425 125.425 112.597 12.828 RESID 56 (S): C 174.899 174.899 173.659 1.240 RESID 56 (S): CA 59.520 59.520 56.954 2.566 RESID 56 (S): CB 64.051 64.051 63.835 0.216 RESID 56 (S): H 7.786 7.786 7.542 0.244 RESID 57 (A): N 118.183 118.183 120.704 -2.521 RESID 57 (A): CA 53.783 53.783 52.987 0.796 RESID 57 (A): CB 17.599 17.599 17.625 -0.026 RESID 57 (A): H 8.018 8.018 8.015 0.003 RESID 59 (Y): C 177.662 177.662 176.611 1.051 RESID 60 (R): N 122.798 122.798 120.973 1.825 RESID 60 (R): C 177.956 177.956 176.813 1.143 RESID 60 (R): CA 58.711 58.711 57.386 1.325 RESID 60 (R): CB 30.659 30.659 30.140 0.519 RESID 60 (R): H 8.311 8.311 8.628 -0.317 RESID 61 (G): N 109.033 109.033 107.245 1.788 RESID 61 (G): C 176.064 176.064 175.654 0.410 RESID 61 (G): CA 46.592 46.592 45.380 1.212 RESID 61 (G): H 8.182 8.182 8.124 0.058 RESID 62 (V): N 123.218 123.218 122.854 0.364 RESID 62 (V): C 177.540 177.540 177.298 0.242 RESID 62 (V): CA 66.277 66.277 64.510 1.767 RESID 62 (V): CB 32.355 32.355 31.902 0.453 RESID 62 (V): H 8.105 8.105 8.303 -0.198 RESID 63 (L): N 120.295 120.295 120.585 -0.290 RESID 63 (L): C 178.628 178.628 179.215 -0.587 RESID 63 (L): CA 58.366 58.366 57.724 0.642 RESID 63 (L): CB 41.675 41.675 40.603 1.072 RESID 63 (L): H 8.182 8.182 8.236 -0.054 RESID 64 (G): N 106.013 106.013 105.780 0.233 RESID 64 (G): C 176.531 176.531 176.355 0.176 RESID 64 (G): CA 47.765 47.765 47.277 0.488 RESID 64 (G): H 8.102 8.102 7.706 0.396 RESID 65 (T): N 120.842 120.842 119.143 1.699 RESID 65 (T): C 176.453 176.453 176.806 -0.353 RESID 65 (T): CA 67.140 67.140 66.596 0.544 RESID 65 (T): CB 69.161 69.161 68.644 0.517 RESID 65 (T): H 7.854 7.854 7.477 0.377 RESID 66 (I): N 122.676 122.676 118.831 3.845 RESID 66 (I): C 177.307 177.307 177.545 -0.238 RESID 66 (I): CA 65.832 65.832 64.343 1.490 RESID 66 (I): CB 38.090 38.090 37.193 0.897 RESID 66 (I): H 8.018 8.018 7.388 0.630 RESID 67 (L): N 119.838 119.838 120.258 -0.420 RESID 67 (L): C 178.706 178.706 178.624 0.082 RESID 67 (L): CA 58.491 58.491 58.145 0.346 RESID 67 (L): CB 41.387 41.387 41.742 -0.355 RESID 67 (L): H 8.291 8.291 7.624 0.667 RESID 68 (T): N 115.362 115.362 114.965 0.397 RESID 68 (T): C 176.764 176.764 176.615 0.149 RESID 68 (T): CA 67.040 67.040 66.666 0.374 RESID 68 (T): CB 69.403 69.403 68.803 0.600 RESID 68 (T): H 7.963 7.963 7.285 0.678 RESID 69 (M): N 122.960 122.960 119.490 3.470 RESID 69 (M): C 177.153 177.153 177.764 -0.611 RESID 69 (M): CA 59.710 59.710 59.025 0.685 RESID 69 (M): CB 33.111 33.111 32.191 0.921 RESID 69 (M): H 7.977 7.977 7.626 0.351 RESID 70 (V): N 119.558 119.558 120.316 -0.758 RESID 70 (V): C 176.841 176.841 177.009 -0.168 RESID 70 (V): CA 66.277 66.277 65.049 1.228 RESID 70 (V): CB 31.362 31.362 31.581 -0.219 RESID 70 (V): H 7.751 7.751 7.542 0.209 RESID 71 (R): N 118.002 118.002 117.957 0.045 RESID 71 (R): C 177.152 177.152 178.234 -1.082 RESID 71 (R): CA 58.761 58.761 58.056 0.705 RESID 71 (R): CB 30.656 30.656 30.191 0.465 RESID 71 (R): H 7.827 7.827 7.527 0.300 RESID 72 (T): N 111.410 111.410 114.743 -3.333 RESID 72 (T): C 175.288 175.288 175.657 -0.369 RESID 72 (T): CA 64.194 64.194 65.591 -1.397 RESID 72 (T): CB 70.312 70.312 69.010 1.302 RESID 72 (T): H 7.745 7.745 7.653 0.092 RESID 73 (E): N 120.577 120.577 119.355 1.222 RESID 73 (E): C 177.696 177.696 176.289 1.407 RESID 73 (E): CA 57.363 57.363 56.858 0.505 RESID 73 (E): CB 30.927 30.927 31.995 -1.068 RESID 73 (E): H 8.263 8.263 7.857 0.406 RESID 74 (G): N 108.209 108.209 105.968 2.241 RESID 74 (G): CA 45.593 45.593 44.879 0.714 RESID 74 (G): H 7.841 7.841 7.409 0.432 RESID 75 (P): C 177.152 177.152 178.236 -1.084 RESID 75 (P): CA 65.652 65.652 64.769 0.883 RESID 75 (P): CB 32.294 32.294 31.959 0.335 RESID 76 (R): N 118.553 118.553 115.895 2.658 RESID 76 (R): C 177.696 177.696 177.386 0.310 RESID 76 (R): CA 59.785 59.785 57.920 1.865 RESID 76 (R): CB 29.671 29.671 28.657 1.014 RESID 76 (R): H 8.427 8.427 8.525 -0.098 RESID 77 (S): N 115.323 115.323 113.471 1.852 RESID 77 (S): C 177.230 177.230 175.574 1.656 RESID 77 (S): CA 61.318 61.318 60.424 0.894 RESID 77 (S): CB 63.281 63.281 63.349 -0.068 RESID 77 (S): H 7.963 7.963 8.183 -0.220 RESID 78 (L): N 122.598 122.598 119.901 2.697 RESID 78 (L): C 177.696 177.696 177.572 0.124 RESID 78 (L): CA 57.792 57.792 56.431 1.361 RESID 78 (L): CB 42.202 42.202 42.148 0.054 RESID 78 (L): H 7.595 7.595 7.462 0.133 RESID 79 (Y): N 119.276 119.276 112.762 6.514 RESID 79 (Y): C 176.142 176.142 175.795 0.347 RESID 79 (Y): CA 60.792 60.792 58.128 2.664 RESID 79 (Y): CB 38.687 38.687 38.786 -0.099 RESID 79 (Y): H 7.868 7.868 7.349 0.519 RESID 80 (N): N 117.249 117.249 119.074 -1.825 RESID 80 (N): C 178.472 178.472 175.740 2.732 RESID 80 (N): CA 53.024 53.024 53.302 -0.278 RESID 80 (N): CB 37.946 37.946 38.189 -0.243 RESID 80 (N): H 8.374 8.374 7.378 0.996 RESID 81 (G): N 108.575 108.575 113.793 -5.218 RESID 81 (G): C 175.521 175.521 175.427 0.094 RESID 81 (G): CA 46.266 46.266 45.628 0.638 RESID 81 (G): H 8.086 8.086 8.560 -0.474 RESID 82 (L): N 124.326 124.326 121.231 3.095 RESID 82 (L): C 178.239 178.239 177.753 0.486 RESID 82 (L): CA 58.217 58.217 57.672 0.545 RESID 82 (L): CB 42.351 42.351 41.454 0.897 RESID 82 (L): H 7.991 7.991 7.164 0.827 RESID 83 (V): N 117.727 117.727 118.376 -0.649 RESID 83 (V): C 177.851 177.851 176.597 1.254 RESID 83 (V): CA 64.113 64.113 64.745 -0.632 RESID 83 (V): CB 31.924 31.924 31.657 0.267 RESID 83 (V): H 8.004 8.004 8.100 -0.096 RESID 84 (A): N 121.414 121.414 121.729 -0.315 RESID 84 (A): C 180.570 180.570 179.677 0.893 RESID 84 (A): CA 55.031 55.031 54.691 0.340 RESID 84 (A): CB 18.286 18.286 18.193 0.093 RESID 84 (A): H 7.677 7.677 7.574 0.103 RESID 85 (G): N 106.471 106.471 107.609 -1.138 RESID 85 (G): C 175.521 175.521 176.061 -0.540 RESID 85 (G): CA 47.191 47.191 46.708 0.483 RESID 85 (G): H 7.963 7.963 7.631 0.332 RESID 86 (L): N 122.326 122.326 122.628 -0.302 RESID 86 (L): C 178.239 178.239 179.231 -0.992 RESID 86 (L): CA 57.493 57.493 57.536 -0.043 RESID 86 (L): CB 42.202 42.202 41.664 0.538 RESID 86 (L): H 8.100 8.100 7.511 0.589 RESID 87 (Q): N 117.736 117.736 117.975 -0.239 RESID 87 (Q): C 177.340 177.340 178.022 -0.682 RESID 87 (Q): CA 57.787 57.787 58.615 -0.828 RESID 87 (Q): CB 28.942 28.942 28.092 0.850 RESID 87 (Q): H 8.004 8.004 7.795 0.209 RESID 88 (R): N 118.107 118.107 119.251 -1.144 RESID 88 (R): C 177.930 177.930 178.985 -1.055 RESID 88 (R): CA 58.062 58.062 59.871 -1.809 RESID 88 (R): CB 30.774 30.774 29.951 0.823 RESID 88 (R): H 7.568 7.568 7.446 0.122 RESID 89 (Q): N 117.921 117.921 117.595 0.326 RESID 89 (Q): C 177.375 177.375 178.479 -1.104 RESID 89 (Q): CA 56.838 56.838 58.418 -1.580 RESID 89 (Q): CB 29.006 29.006 28.279 0.727 RESID 89 (Q): H 7.827 7.827 7.587 0.240 RESID 90 (M): N 118.378 118.378 120.268 -1.890 RESID 90 (M): C 176.365 176.365 177.694 -1.329 RESID 90 (M): CA 56.339 56.339 57.947 -1.608 RESID 90 (M): CB 33.444 33.444 32.310 1.134 RESID 90 (M): H 7.963 7.963 8.444 -0.481 RESID 91 (S): N 115.089 115.089 115.637 -0.548 RESID 91 (S): C 175.899 175.899 176.450 -0.551 RESID 91 (S): CA 58.621 58.621 60.887 -2.266 RESID 91 (S): CB 64.337 64.337 62.808 1.529 RESID 91 (S): H 7.868 7.868 7.913 -0.045 RESID 92 (F): N 122.852 122.852 123.428 -0.576 RESID 92 (F): C 177.375 177.375 176.548 0.827 RESID 92 (F): CA 59.095 59.095 61.510 -2.415 RESID 92 (F): CB 38.937 38.937 39.182 -0.245 RESID 92 (F): H 8.332 8.332 7.557 0.775 RESID 93 (A): N 123.258 123.258 119.890 3.368 RESID 93 (A): C 178.628 178.628 178.831 -0.203 RESID 93 (A): CA 54.881 54.881 54.369 0.512 RESID 93 (A): CB 17.902 17.902 18.303 -0.401 RESID 93 (A): H 8.223 8.223 7.792 0.431 RESID 94 (S): N 112.886 112.886 115.493 -2.607 RESID 94 (S): C 176.831 176.831 177.095 -0.264 RESID 94 (S): CA 60.319 60.319 60.942 -0.623 RESID 94 (S): CB 63.611 63.611 63.555 0.056 RESID 94 (S): H 7.977 7.977 7.687 0.290 RESID 95 (V): N 121.854 121.854 118.345 3.509 RESID 95 (V): C 176.220 176.220 176.497 -0.277 RESID 95 (V): CA 64.629 64.629 65.062 -0.433 RESID 95 (V): CB 31.328 31.328 31.268 0.060 RESID 95 (V): H 7.581 7.581 7.772 -0.191 RESID 96 (R): N 121.329 121.329 118.777 2.552 RESID 96 (R): C 176.814 176.814 176.918 -0.104 RESID 96 (R): CA 58.636 58.636 58.168 0.468 RESID 96 (R): CB 30.672 30.672 29.356 1.316 RESID 96 (R): H 7.936 7.936 7.397 0.539 RESID 97 (I): N 119.194 119.194 118.486 0.708 RESID 97 (I): C 177.152 177.152 176.630 0.522 RESID 97 (I): CA 63.296 63.296 61.607 1.689 RESID 97 (I): CB 38.757 38.757 37.533 1.224 RESID 97 (I): H 7.802 7.802 7.526 0.276 RESID 98 (G): N 109.857 109.857 107.913 1.944 RESID 98 (G): C 176.064 176.064 174.784 1.280 RESID 98 (G): CA 46.941 46.941 46.052 0.889 RESID 98 (G): H 8.127 8.127 7.826 0.301 RESID 99 (L): N 123.258 123.258 122.544 0.714 RESID 99 (L): C 177.856 177.856 177.938 -0.082 RESID 99 (L): CA 58.264 58.264 56.855 1.409 RESID 99 (L): CB 42.488 42.488 41.459 1.029 RESID 99 (L): H 8.223 8.223 8.493 -0.270 RESID 100 (Y): N 119.770 119.770 120.726 -0.956 RESID 100 (Y): C 176.997 176.997 176.909 0.088 RESID 100 (Y): CA 61.592 61.592 62.239 -0.647 RESID 100 (Y): CB 38.809 38.809 38.687 0.122 RESID 100 (Y): H 8.207 8.207 7.798 0.409 RESID 101 (D): N 118.460 118.460 117.768 0.692 RESID 101 (D): C 178.939 178.939 178.509 0.430 RESID 101 (D): CA 57.797 57.797 57.044 0.753 RESID 101 (D): CB 40.498 40.498 40.519 -0.021 RESID 101 (D): H 8.401 8.401 8.685 -0.284 RESID 102 (S): N 116.022 116.022 115.526 0.496 RESID 102 (S): C 176.005 176.005 176.299 -0.294 RESID 102 (S): CA 62.791 62.791 62.139 0.652 RESID 102 (S): CB 64.211 64.211 63.191 1.020 RESID 102 (S): H 7.854 7.854 7.745 0.109 RESID 103 (V): N 120.844 120.844 117.703 3.141 RESID 103 (V): C 177.307 177.307 177.424 -0.117 RESID 103 (V): CA 66.510 66.510 65.090 1.420 RESID 103 (V): CB 31.965 31.965 31.308 0.657 RESID 103 (V): H 7.926 7.926 7.240 0.686 RESID 104 (K): N 120.468 120.468 119.853 0.615 RESID 104 (K): C 178.861 178.861 179.015 -0.154 RESID 104 (K): CA 60.184 60.184 59.014 1.170 RESID 104 (K): CB 31.979 31.979 31.724 0.255 RESID 104 (K): H 8.127 8.127 7.460 0.667 RESID 105 (Q): N 118.386 118.386 117.188 1.198 RESID 105 (Q): C 177.540 177.540 177.534 0.006 RESID 105 (Q): CA 58.786 58.786 57.780 1.006 RESID 105 (Q): CB 28.377 28.377 28.645 -0.268 RESID 105 (Q): H 7.841 7.841 7.883 -0.042 RESID 106 (F): N 119.471 119.471 116.857 2.614 RESID 106 (F): C 176.531 176.531 175.147 1.384 RESID 106 (F): CA 60.593 60.593 60.159 0.434 RESID 106 (F): CB 39.459 39.459 39.223 0.236 RESID 106 (F): H 7.772 7.772 7.383 0.389 RESID 107 (Y): N 118.288 118.288 112.909 5.379 RESID 107 (Y): C 176.220 176.220 176.786 -0.566 RESID 107 (Y): CA 60.543 60.543 58.200 2.343 RESID 107 (Y): CB 38.819 38.819 39.796 -0.977 RESID 107 (Y): H 8.045 8.045 7.241 0.804 RESID 108 (T): N 113.383 113.383 113.618 -0.235 RESID 108 (T): C 175.288 175.288 173.948 1.340 RESID 108 (T): CA 64.094 64.094 61.762 2.332 RESID 108 (T): CB 69.986 69.986 68.289 1.697 RESID 108 (T): H 7.868 7.868 7.511 0.357 RESID 113 (H): C 173.413 173.413 173.660 -0.247 RESID 113 (H): H 7.968 7.968 8.639 -0.671 RESID 114 (A): N 119.456 119.456 124.200 -4.744 RESID 114 (A): C 177.851 177.851 176.562 1.289 RESID 114 (A): CA 53.283 53.283 52.485 0.798 RESID 114 (A): CB 19.362 19.362 18.907 0.455 RESID 114 (A): H 8.433 8.433 8.162 0.271 RESID 115 (G): N 108.484 108.484 106.133 2.351 RESID 115 (G): C 174.822 174.822 175.075 -0.253 RESID 115 (G): CA 45.968 45.968 45.252 0.716 RESID 115 (G): H 8.250 8.250 8.162 0.088 RESID 116 (I): N 121.139 121.139 121.693 -0.554 RESID 116 (I): C 176.841 176.841 177.449 -0.608 RESID 116 (I): CA 63.160 63.160 64.328 -1.168 RESID 116 (I): CB 38.853 38.853 37.780 1.073 RESID 116 (I): H 8.127 8.127 8.097 0.030 RESID 117 (G): N 110.863 110.863 107.199 3.664 RESID 117 (G): C 174.588 174.588 176.138 -1.550 RESID 117 (G): CA 46.791 46.791 47.109 -0.318 RESID 117 (G): H 8.509 8.509 8.349 0.160 RESID 118 (S): N 116.069 116.069 117.282 -1.213 RESID 118 (S): C 175.754 175.754 176.926 -1.172 RESID 118 (S): CA 60.319 60.319 61.387 -1.068 RESID 118 (S): CB 63.864 63.864 63.019 0.845 RESID 118 (S): H 7.991 7.991 8.033 -0.042 RESID 119 (R): N 122.134 122.134 121.345 0.789 RESID 119 (R): C 178.228 178.228 178.725 -0.497 RESID 119 (R): CA 57.787 57.787 58.943 -1.156 RESID 119 (R): CB 30.549 30.549 29.689 0.860 RESID 119 (R): H 7.963 7.963 8.623 -0.660 RESID 120 (L): N 120.403 120.403 122.318 -1.915 RESID 120 (L): C 177.230 177.230 178.087 -0.857 RESID 120 (L): CA 57.967 57.967 58.261 -0.295 RESID 120 (L): CB 42.146 42.146 41.754 0.392 RESID 120 (L): H 7.914 7.914 7.708 0.206 RESID 121 (L): N 118.960 118.960 119.441 -0.481 RESID 121 (L): C 177.152 177.152 178.947 -1.795 RESID 121 (L): CA 55.495 55.495 58.322 -2.827 RESID 121 (L): CB 42.238 42.238 41.236 1.002 RESID 121 (L): H 7.718 7.718 8.369 -0.651 RESID 122 (A): N 123.063 123.063 122.254 0.809 RESID 122 (A): C 178.317 178.317 180.246 -1.929 RESID 122 (A): CA 53.358 53.358 55.235 -1.877 RESID 122 (A): CB 19.218 19.218 18.535 0.683 RESID 122 (A): H 7.745 7.745 8.997 -1.252 RESID 123 (G): N 107.843 107.843 106.759 1.084 RESID 123 (G): C 176.912 176.912 176.359 0.553 RESID 123 (G): CA 45.943 45.943 47.077 -1.134 RESID 123 (G): H 8.113 8.113 8.997 -0.884 RESID 124 (S): N 116.105 116.105 116.935 -0.830 RESID 124 (S): C 175.574 175.574 176.809 -1.235 RESID 124 (S): CA 59.145 59.145 62.011 -2.866 RESID 124 (S): CB 64.211 64.211 63.303 0.908 RESID 124 (S): H 8.109 8.109 8.670 -0.561 RESID 125 (T): N 116.069 116.069 116.009 0.060 RESID 125 (T): C 176.055 176.055 176.879 -0.824 RESID 125 (T): CA 66.921 66.921 65.832 1.089 RESID 125 (T): CB 69.682 69.682 68.599 1.083 RESID 125 (T): H 8.086 8.086 8.306 -0.220 RESID 126 (T): N 115.439 115.439 118.862 -3.423 RESID 126 (T): C 177.443 177.443 176.772 0.671 RESID 126 (T): CA 65.285 65.285 66.944 -1.659 RESID 126 (T): CB 68.364 68.364 68.450 -0.086 RESID 126 (T): H 7.977 7.977 8.616 -0.639 RESID 127 (G): N 115.453 115.453 108.753 6.700 RESID 127 (G): C 174.215 174.215 175.059 -0.844 RESID 127 (G): CA 46.117 46.117 46.845 -0.728 RESID 127 (G): H 8.168 8.168 8.234 -0.066 RESID 128 (A): N 123.952 123.952 124.678 -0.726 RESID 128 (A): C 178.162 178.162 179.427 -1.265 RESID 128 (A): CA 53.349 53.349 54.742 -1.393 RESID 128 (A): CB 19.099 19.099 18.520 0.579 RESID 128 (A): H 7.919 7.919 7.466 0.453 RESID 129 (L): N 120.025 120.025 118.560 1.465 RESID 129 (L): C 177.949 177.949 179.122 -1.173 RESID 129 (L): CA 56.019 56.019 57.503 -1.484 RESID 129 (L): CB 42.340 42.340 41.100 1.240 RESID 129 (L): H 7.936 7.936 7.584 0.352 RESID 130 (A): N 123.402 123.402 121.544 1.858 RESID 130 (A): C 177.929 177.929 179.624 -1.695 RESID 130 (A): CA 53.283 53.283 54.947 -1.663 RESID 130 (A): CB 18.964 18.964 18.152 0.812 RESID 130 (A): H 7.868 7.868 7.950 -0.082 RESID 131 (V): N 118.111 118.111 117.502 0.609 RESID 131 (V): C 176.025 176.025 177.031 -1.006 RESID 131 (V): CA 63.180 63.180 64.720 -1.540 RESID 131 (V): CB 32.898 32.898 31.529 1.369 RESID 131 (V): H 7.636 7.636 7.946 -0.310 RESID 132 (A): N 124.047 124.047 122.599 1.448 RESID 132 (A): C 179.008 179.008 178.413 0.595 RESID 132 (A): CA 53.707 53.707 54.482 -0.775 RESID 132 (A): CB 19.150 19.150 18.659 0.491 RESID 132 (A): H 7.911 7.911 7.597 0.314 RESID 133 (V): N 113.349 113.349 117.894 -4.545 RESID 133 (V): C 175.527 175.527 175.875 -0.348 RESID 133 (V): CA 64.115 64.115 63.134 0.981 RESID 133 (V): CB 31.832 31.832 32.556 -0.724 RESID 133 (V): H 7.094 7.094 7.495 -0.401 RESID 134 (A): N 123.224 123.224 120.019 3.205 RESID 134 (A): CA 55.493 55.493 52.448 3.045 RESID 134 (A): H 7.586 7.586 7.494 0.092 RESID 136 (P): C 177.074 177.074 178.833 -1.759 RESID 137 (T): N 113.281 113.281 113.700 -0.419 RESID 137 (T): C 174.485 174.485 176.883 -2.398 RESID 137 (T): CA 64.496 64.496 66.680 -2.184 RESID 137 (T): CB 69.997 69.997 68.363 1.634 RESID 137 (T): H 7.963 7.963 8.390 -0.427 RESID 138 (D): N 122.770 122.770 122.347 0.423 RESID 138 (D): C 178.458 178.458 178.463 -0.005 RESID 138 (D): CA 56.776 56.776 57.083 -0.307 RESID 138 (D): CB 41.023 41.023 40.301 0.722 RESID 138 (D): H 8.094 8.094 7.784 0.310 RESID 139 (V): N 119.931 119.931 116.897 3.034 RESID 139 (V): C 177.502 177.502 177.813 -0.311 RESID 139 (V): CA 66.455 66.455 66.203 0.253 RESID 139 (V): CB 32.804 32.804 31.755 1.049 RESID 139 (V): H 7.753 7.753 7.582 0.171 RESID 140 (V): N 120.539 120.539 116.814 3.725 RESID 140 (V): C 176.232 176.232 177.883 -1.651 RESID 140 (V): CA 66.770 66.770 66.272 0.498 RESID 140 (V): CB 32.086 32.086 31.424 0.662 RESID 140 (V): H 8.295 8.295 7.693 0.602 RESID 141 (K): N 120.122 120.122 120.491 -0.369 RESID 141 (K): C 176.120 176.120 179.087 -2.967 RESID 141 (K): CA 55.991 55.991 59.734 -3.743 RESID 141 (K): CB 31.712 31.712 32.395 -0.683 RESID 141 (K): H 7.698 7.698 7.466 0.232 RESID 142 (V): N 120.104 120.104 116.980 3.124 RESID 142 (V): CA 63.230 63.230 65.640 -2.410 RESID 142 (V): H 7.772 7.772 7.408 0.364 RESID 143 (R): C 178.401 178.401 178.429 -0.028 RESID 143 (R): H 7.999 7.999 7.821 0.178 RESID 144 (F): N 120.445 120.445 119.087 1.358 RESID 144 (F): C 177.856 177.856 176.625 1.231 RESID 144 (F): CA 61.438 61.438 61.134 0.304 RESID 144 (F): H 8.395 8.395 8.547 -0.152 RESID 145 (Q): N 124.180 124.180 116.683 7.497 RESID 145 (Q): C 174.844 174.844 177.533 -2.689 RESID 145 (Q): CA 56.414 56.414 57.727 -1.313 RESID 145 (Q): CB 30.721 30.721 29.079 1.641 RESID 145 (Q): H 8.094 8.094 7.751 0.343 RESID 146 (A): N 120.452 120.452 120.189 0.263 RESID 146 (A): C 177.929 177.929 177.746 0.183 RESID 146 (A): CA 53.483 53.483 53.254 0.230 RESID 146 (A): CB 18.431 18.431 19.102 -0.671 RESID 146 (A): H 7.939 7.939 7.449 0.490 RESID 147 (Q): N 119.388 119.388 118.457 0.931 RESID 147 (Q): C 176.029 176.029 174.938 1.091 RESID 147 (Q): CA 56.339 56.339 55.863 0.476 RESID 147 (Q): CB 29.444 29.444 27.970 1.474 RESID 147 (Q): H 8.072 8.072 7.518 0.554 RESID 148 (A): N 125.199 125.199 128.075 -2.876 RESID 148 (A): C 177.766 177.766 177.535 0.231 RESID 148 (A): CA 53.108 53.108 52.442 0.666 RESID 148 (A): CB 19.151 19.151 19.571 -0.420 RESID 148 (A): H 8.055 8.055 8.183 -0.128 RESID 149 (R): N 120.208 120.208 119.579 0.629 RESID 149 (R): CA 56.414 56.414 55.471 0.943 RESID 149 (R): CB 30.749 30.749 30.785 -0.036 RESID 149 (R): H 8.018 8.018 7.985 0.033 RESID 159 (T): C 175.928 175.928 176.295 -0.367 RESID 160 (V): N 118.321 118.321 121.237 -2.916 RESID 160 (V): C 177.749 177.749 177.351 0.398 RESID 160 (V): CA 64.126 64.126 65.427 -1.301 RESID 160 (V): CB 31.343 31.343 31.181 0.162 RESID 160 (V): H 8.073 8.073 8.154 -0.081 RESID 161 (E): N 122.379 122.379 120.028 2.351 RESID 161 (E): C 178.783 178.783 178.647 0.136 RESID 161 (E): CA 59.550 59.550 59.516 0.034 RESID 161 (E): CB 29.597 29.597 28.412 1.185 RESID 161 (E): H 8.204 8.204 8.729 -0.525 RESID 162 (A): N 122.845 122.845 123.185 -0.340 RESID 162 (A): C 179.948 179.948 179.414 0.534 RESID 162 (A): CA 55.181 55.181 54.959 0.222 RESID 162 (A): CB 18.154 18.154 18.384 -0.230 RESID 162 (A): H 7.786 7.786 8.127 -0.341 RESID 163 (Y): N 118.902 118.902 119.552 -0.650 RESID 163 (Y): C 177.273 177.273 177.925 -0.652 RESID 163 (Y): CA 61.068 61.068 61.816 -0.748 RESID 163 (Y): CB 37.898 37.898 38.707 -0.809 RESID 163 (Y): H 7.922 7.922 8.094 -0.172 RESID 164 (K): N 119.939 119.939 118.216 1.723 RESID 164 (K): C 178.239 178.239 178.997 -0.758 RESID 164 (K): CA 60.309 60.309 59.550 0.759 RESID 164 (K): CB 32.504 32.504 32.513 -0.009 RESID 164 (K): H 8.223 8.223 7.712 0.511 RESID 165 (T): N 115.262 115.262 115.049 0.213 RESID 165 (T): C 175.676 175.676 176.200 -0.524 RESID 165 (T): CA 66.516 66.516 66.355 0.161 RESID 165 (T): CB 69.367 69.367 68.867 0.500 RESID 165 (T): H 7.745 7.745 8.211 -0.466 RESID 166 (I): N 121.571 121.571 121.383 0.188 RESID 166 (I): C 177.307 177.307 176.540 0.767 RESID 166 (I): CA 64.634 64.634 64.353 0.281 RESID 166 (I): CB 38.896 38.896 37.727 1.169 RESID 166 (I): H 7.540 7.540 7.449 0.091 RESID 167 (A): N 121.983 121.983 122.349 -0.366 RESID 167 (A): C 178.395 178.395 179.898 -1.503 RESID 167 (A): CA 54.656 54.656 54.723 -0.067 RESID 167 (A): CB 18.486 18.486 17.921 0.565 RESID 167 (A): H 8.059 8.059 7.632 0.427 RESID 168 (R): N 116.369 116.369 119.326 -2.957 RESID 168 (R): C 177.307 177.307 178.384 -1.077 RESID 168 (R): CA 58.486 58.486 58.633 -0.146 RESID 168 (R): CB 30.930 30.930 29.947 0.983 RESID 168 (R): H 7.690 7.690 7.838 -0.148 RESID 169 (E): N 118.667 118.667 117.937 0.730 RESID 169 (E): C 177.696 177.696 178.475 -0.779 RESID 169 (E): CA 58.212 58.212 58.450 -0.238 RESID 169 (E): CB 30.357 30.357 30.000 0.357 RESID 169 (E): H 8.045 8.045 7.747 0.298 RESID 170 (E): N 118.202 118.202 117.713 0.489 RESID 170 (E): C 177.878 177.878 177.098 0.780 RESID 170 (E): CA 57.363 57.363 57.101 0.262 RESID 170 (E): CB 31.277 31.277 30.982 0.295 RESID 170 (E): H 8.550 8.550 8.302 0.248 RESID 171 (G): N 108.941 108.941 107.127 1.814 RESID 171 (G): C 174.433 174.433 174.650 -0.217 RESID 171 (G): CA 45.193 45.193 44.754 0.439 RESID 171 (G): H 7.881 7.881 7.656 0.225 RESID 172 (I): N 120.842 120.842 117.561 3.281 RESID 172 (I): C 176.997 176.997 177.061 -0.064 RESID 172 (I): CA 63.810 63.810 63.523 0.287 RESID 172 (I): CB 38.516 38.516 37.680 0.836 RESID 172 (I): H 8.550 8.550 8.204 0.346 RESID 173 (R): N 119.480 119.480 121.352 -1.872 RESID 173 (R): C 178.084 178.084 178.380 -0.296 RESID 173 (R): CA 58.711 58.711 58.618 0.093 RESID 173 (R): CB 29.796 29.796 28.901 0.894 RESID 173 (R): H 8.277 8.277 8.472 -0.195 RESID 174 (G): N 106.379 106.379 106.371 0.008 RESID 174 (G): C 175.210 175.210 176.162 -0.952 RESID 174 (G): CA 46.767 46.767 46.683 0.084 RESID 174 (G): H 7.690 7.690 7.868 -0.178 RESID 175 (L): N 120.664 120.664 122.212 -1.548 RESID 175 (L): C 177.971 177.971 178.607 -0.636 RESID 175 (L): CA 57.104 57.104 57.259 -0.155 RESID 175 (L): CB 42.559 42.559 42.263 0.296 RESID 175 (L): H 7.554 7.554 7.256 0.298 RESID 176 (W): N 117.031 117.031 118.197 -1.166 RESID 176 (W): C 176.987 176.987 177.804 -0.817 RESID 176 (W): CA 57.672 57.672 57.716 -0.044 RESID 176 (W): CB 29.796 29.796 28.381 1.415 RESID 176 (W): H 7.499 7.499 8.174 -0.675 RESID 177 (K): N 120.567 120.567 119.865 0.702 RESID 177 (K): C 177.152 177.152 178.195 -1.043 RESID 177 (K): CA 57.712 57.712 59.209 -1.497 RESID 177 (K): CB 32.890 32.890 32.197 0.693 RESID 177 (K): H 7.595 7.595 7.461 0.134 RESID 178 (G): N 108.667 108.667 104.383 4.284 RESID 178 (G): C 174.045 174.045 175.573 -1.528 RESID 178 (G): CA 45.893 45.893 45.851 0.042 RESID 178 (G): H 7.881 7.881 8.068 -0.187 RESID 179 (T): N 115.080 115.080 116.852 -1.772 RESID 179 (T): C 175.192 175.192 176.615 -1.423 RESID 179 (T): CA 66.521 66.521 65.513 1.008 RESID 179 (T): CB 70.079 70.079 67.964 2.115 RESID 179 (T): H 7.622 7.622 7.686 -0.064 RESID 180 (S): N 117.754 117.754 116.332 1.422 RESID 180 (S): CA 63.123 63.123 62.809 0.315 RESID 180 (S): CB 62.045 62.045 62.167 -0.122 RESID 180 (S): H 8.195 8.195 7.867 0.328 RESID 182 (N): C 177.348 177.348 177.974 -0.626 RESID 183 (V): N 118.118 118.118 120.365 -2.247 RESID 183 (V): C 176.944 176.944 177.592 -0.648 RESID 183 (V): CA 65.244 65.244 66.554 -1.310 RESID 183 (V): CB 32.508 32.508 31.167 1.341 RESID 183 (V): H 7.861 7.861 7.709 0.152 RESID 184 (A): N 122.284 122.284 121.901 0.383 RESID 184 (A): C 178.317 178.317 179.384 -1.067 RESID 184 (A): CA 55.339 55.339 55.325 0.014 RESID 184 (A): CB 28.230 28.230 18.209 10.021 RESID 184 (A): H 8.097 8.097 7.631 0.466 RESID 185 (R): N 117.321 117.321 119.392 -2.071 RESID 185 (R): C 177.527 177.527 178.127 -0.600 RESID 185 (R): CA 59.543 59.543 59.135 0.408 RESID 185 (R): CB 29.767 29.767 29.965 -0.198 RESID 185 (R): H 7.611 7.611 8.127 -0.516 RESID 186 (N): N 117.294 117.294 117.794 -0.500 RESID 186 (N): C 176.599 176.599 177.360 -0.761 RESID 186 (N): CA 56.659 56.659 56.550 0.109 RESID 186 (N): CB 39.454 39.454 38.366 1.088 RESID 186 (N): H 8.048 8.048 7.986 0.062 RESID 187 (A): N 121.003 121.003 122.506 -1.503 RESID 187 (A): C 178.713 178.713 179.669 -0.956 RESID 187 (A): CA 55.520 55.520 54.932 0.588 RESID 187 (A): CB 18.097 18.097 18.709 -0.612 RESID 187 (A): H 7.322 7.322 7.591 -0.269 RESID 188 (I): N 119.319 119.319 119.593 -0.274 RESID 188 (I): C 176.634 176.634 178.092 -1.458 RESID 188 (I): CA 64.225 64.225 65.516 -1.291 RESID 188 (I): CB 37.658 37.658 37.851 -0.193 RESID 188 (I): H 7.779 7.779 8.372 -0.593 RESID 189 (V): N 117.265 117.265 119.942 -2.677 RESID 189 (V): C 177.529 177.529 178.066 -0.537 RESID 189 (V): CA 65.562 65.562 67.148 -1.586 RESID 189 (V): CB 31.407 31.407 30.882 0.525 RESID 189 (V): H 7.776 7.776 8.376 -0.600 RESID 190 (N): N 118.736 118.736 118.107 0.629 RESID 190 (N): C 176.476 176.476 177.476 -1.000 RESID 190 (N): CA 56.813 56.813 56.536 0.277 RESID 190 (N): CB 38.268 38.268 38.474 -0.206 RESID 190 (N): H 7.800 7.800 7.874 -0.074 RESID 191 (C): N 120.152 120.152 119.069 1.083 RESID 191 (C): C 175.831 175.831 176.742 -0.911 RESID 191 (C): CA 60.293 60.293 62.521 -2.228 RESID 191 (C): CB 41.566 41.566 26.492 15.074 RESID 191 (C): H 7.784 7.784 8.303 -0.519 RESID 192 (A): N 121.963 121.963 122.044 -0.081 RESID 192 (A): C 178.395 178.395 179.013 -0.618 RESID 192 (A): CA 55.280 55.280 55.294 -0.014 RESID 192 (A): CB 18.008 18.008 18.201 -0.193 RESID 192 (A): H 8.141 8.141 8.673 -0.532 RESID 193 (E): N 114.548 114.548 119.565 -5.017 RESID 193 (E): C 176.764 176.764 178.500 -1.736 RESID 193 (E): CA 58.262 58.262 58.906 -0.643 RESID 193 (E): CB 29.342 29.342 28.989 0.353 RESID 193 (E): H 7.595 7.595 8.355 -0.760 RESID 194 (L): N 117.659 117.659 120.859 -3.200 RESID 194 (L): C 176.904 176.904 178.464 -1.560 RESID 194 (L): CA 55.695 55.695 57.662 -1.967 RESID 194 (L): CB 41.655 41.655 41.702 -0.047 RESID 194 (L): H 7.459 7.459 7.538 -0.079 RESID 195 (V): N 117.842 117.842 118.140 -0.298 RESID 195 (V): C 177.150 177.150 178.219 -1.069 RESID 195 (V): CA 64.054 64.054 66.597 -2.543 RESID 195 (V): CB 31.079 31.079 31.587 -0.508 RESID 195 (V): H 7.363 7.363 7.347 0.016 RESID 196 (T): N 122.439 122.439 114.898 7.541 RESID 196 (T): C 175.055 175.055 176.317 -1.262 RESID 196 (T): CA 65.500 65.500 66.107 -0.607 RESID 196 (T): CB 69.490 69.490 68.984 0.506 RESID 196 (T): H 7.940 7.940 7.545 0.395 RESID 197 (Y): N 122.430 122.430 121.636 0.794 RESID 197 (Y): C 177.152 177.152 177.337 -0.185 RESID 197 (Y): CA 61.892 61.892 61.885 0.007 RESID 197 (Y): CB 38.085 38.085 38.419 -0.334 RESID 197 (Y): H 9.123 9.123 8.309 0.814 RESID 198 (D): N 117.750 117.750 118.147 -0.397 RESID 198 (D): C 177.696 177.696 178.279 -0.583 RESID 198 (D): CA 57.822 57.822 57.298 0.524 RESID 198 (D): CB 40.500 40.500 40.296 0.204 RESID 198 (D): H 8.263 8.263 7.789 0.474 RESID 199 (L): N 120.698 120.698 118.533 2.165 RESID 199 (L): C 180.104 180.104 178.991 1.113 RESID 199 (L): CA 58.092 58.092 57.121 0.971 RESID 199 (L): CB 42.559 42.559 41.083 1.476 RESID 199 (L): H 7.636 7.636 7.588 0.048 RESID 200 (I): N 121.136 121.136 114.888 6.248 RESID 200 (I): C 176.919 176.919 177.943 -1.024 RESID 200 (I): CA 65.482 65.482 64.236 1.246 RESID 200 (I): CB 37.949 37.949 37.211 0.738 RESID 200 (I): H 7.718 7.718 7.221 0.497 RESID 201 (K): N 120.587 120.587 119.498 1.089 RESID 201 (K): C 177.696 177.696 178.638 -0.942 RESID 201 (K): CA 60.683 60.683 58.931 1.752 RESID 201 (K): CB 31.809 31.809 32.036 -0.227 RESID 201 (K): H 8.291 8.291 7.398 0.893 RESID 202 (D): N 117.936 117.936 117.333 0.603 RESID 202 (D): C 178.395 178.395 176.747 1.648 RESID 202 (D): CA 57.672 57.672 56.132 1.540 RESID 202 (D): CB 41.355 41.355 41.153 0.202 RESID 202 (D): H 8.182 8.182 7.788 0.394 RESID 203 (T): N 115.914 115.914 114.509 1.405 RESID 203 (T): CA 61.190 61.190 61.925 -0.735 RESID 203 (T): CB 68.738 68.738 69.768 -1.030 RESID 203 (T): H 7.690 7.690 7.359 0.331 RESID 204 (L): C 176.047 176.047 175.709 0.338 RESID 204 (L): H 8.051 8.051 8.864 -0.813 RESID 205 (L): N 118.768 118.768 118.369 0.399 RESID 205 (L): C 179.871 179.871 175.660 4.211 RESID 205 (L): CA 55.867 55.867 54.292 1.575 RESID 205 (L): CB 41.887 41.887 41.366 0.521 RESID 205 (L): H 7.977 7.977 7.827 0.150 RESID 206 (K): N 119.775 119.775 118.290 1.485 RESID 206 (K): C 177.318 177.318 177.213 0.105 RESID 206 (K): CA 58.461 58.461 55.565 2.896 RESID 206 (K): CB 32.734 32.734 33.337 -0.603 RESID 206 (K): H 7.677 7.677 7.370 0.307 RESID 207 (A): N 120.757 120.757 121.631 -0.874 RESID 207 (A): C 176.531 176.531 176.599 -0.068 RESID 207 (A): CA 53.083 53.083 54.564 -1.481 RESID 207 (A): CB 18.960 18.960 17.859 1.101 RESID 207 (A): H 7.565 7.565 8.858 -1.293 RESID 208 (N): N 115.463 115.463 112.677 2.786 RESID 208 (N): C 174.822 174.822 174.823 -0.001 RESID 208 (N): CA 54.351 54.351 52.546 1.805 RESID 208 (N): CB 38.160 38.160 38.802 -0.642 RESID 208 (N): H 7.936 7.936 8.451 -0.515 RESID 212 (D): C 174.735 174.735 175.593 -0.858 RESID 213 (D): N 116.363 116.363 123.854 -7.491 RESID 213 (D): C 175.553 175.553 177.090 -1.537 RESID 213 (D): CA 54.890 54.890 54.436 0.454 RESID 213 (D): CB 38.846 38.846 39.128 -0.282 RESID 213 (D): H 8.129 8.129 8.665 -0.536 RESID 214 (L): N 119.486 119.486 122.447 -2.961 RESID 214 (L): CA 59.766 59.766 59.366 0.400 RESID 214 (L): CB 39.579 39.579 39.665 -0.086 RESID 214 (L): H 7.821 7.821 8.107 -0.286 RESID 215 (P): C 177.971 177.971 178.514 -0.543 RESID 215 (P): CA 65.938 65.938 65.694 0.245 RESID 215 (P): CB 30.006 30.006 30.912 -0.906 RESID 216 (C): N 114.211 114.211 117.119 -2.908 RESID 216 (C): C 176.142 176.142 177.246 -1.104 RESID 216 (C): CA 58.773 58.773 62.230 -3.457 RESID 216 (C): CB 40.906 40.906 26.601 14.305 RESID 216 (C): H 8.269 8.269 8.337 -0.068 RESID 217 (H): N 120.491 120.491 119.680 0.811 RESID 217 (H): C 176.747 176.747 177.240 -0.493 RESID 217 (H): CA 57.198 57.198 59.109 -1.911 RESID 217 (H): CB 29.886 29.886 29.088 0.798 RESID 217 (H): H 7.301 7.301 7.631 -0.330 RESID 218 (F): N 120.501 120.501 120.109 0.392 RESID 218 (F): C 176.187 176.187 177.641 -1.454 RESID 218 (F): CA 59.045 59.045 62.003 -2.958 RESID 218 (F): CB 38.901 38.901 38.499 0.402 RESID 218 (F): H 8.127 8.127 7.224 0.903 RESID 219 (T): N 112.682 112.682 115.327 -2.645 RESID 219 (T): C 175.997 175.997 176.796 -0.799 RESID 219 (T): CA 64.319 64.319 66.928 -2.609 RESID 219 (T): CB 63.282 63.282 68.292 -5.010 RESID 219 (T): H 7.977 7.977 7.817 0.160 RESID 220 (S): N 117.589 117.589 117.326 0.263 RESID 220 (S): C 175.055 175.055 176.418 -1.363 RESID 220 (S): CA 61.344 61.344 61.861 -0.516 RESID 220 (S): CB 63.440 63.440 62.790 0.650 RESID 220 (S): H 8.004 8.004 7.673 0.331 RESID 221 (A): N 123.860 123.860 124.319 -0.459 RESID 221 (A): C 177.618 177.618 179.585 -1.967 RESID 221 (A): CA 53.932 53.932 54.975 -1.043 RESID 221 (A): CB 18.891 18.891 18.237 0.654 RESID 221 (A): H 7.704 7.704 7.601 0.103 RESID 222 (F): N 116.073 116.073 120.399 -4.326 RESID 222 (F): C 176.142 176.142 177.522 -1.380 RESID 222 (F): CA 58.271 58.271 61.623 -3.352 RESID 222 (F): CB 39.554 39.554 39.125 0.429 RESID 222 (F): H 7.718 7.718 8.200 -0.482 RESID 223 (G): N 108.578 108.578 106.434 2.144 RESID 223 (G): C 173.889 173.889 175.504 -1.615 RESID 223 (G): CA 45.993 45.993 47.063 -1.070 RESID 223 (G): H 7.909 7.909 8.135 -0.226 RESID 224 (A): N 123.322 123.322 124.500 -1.178 RESID 224 (A): C 178.550 178.550 179.791 -1.241 RESID 224 (A): CA 53.608 53.608 54.739 -1.131 RESID 224 (A): CB 19.069 19.069 18.277 0.792 RESID 224 (A): H 8.018 8.018 7.901 0.117 RESID 225 (G): N 107.935 107.935 107.608 0.327 RESID 225 (G): C 175.389 175.389 175.562 -0.173 RESID 225 (G): CA 46.967 46.967 46.756 0.211 RESID 225 (G): H 8.304 8.304 8.603 -0.299 RESID 226 (F): N 122.440 122.440 122.858 -0.418 RESID 226 (F): C 176.998 176.998 177.072 -0.074 RESID 226 (F): CA 60.673 60.673 60.799 -0.126 RESID 226 (F): CB 38.319 38.319 39.347 -1.028 RESID 226 (F): H 8.045 8.045 8.072 -0.027 RESID 227 (C): N 116.562 116.562 117.347 -0.785 RESID 227 (C): CA 61.301 61.301 62.830 -1.529 RESID 227 (C): CB 41.286 41.286 27.276 14.010 RESID 227 (C): H 8.016 8.016 7.807 0.209 RESID 228 (T): C 176.437 176.437 176.213 0.224 RESID 228 (T): H 8.410 8.410 8.389 0.021 RESID 229 (T): N 115.234 115.234 116.601 -1.367 RESID 229 (T): C 176.749 176.749 176.187 0.562 RESID 229 (T): CA 65.980 65.980 66.513 -0.533 RESID 229 (T): CB 67.443 67.443 67.926 -0.483 RESID 229 (T): H 8.188 8.188 7.929 0.259 RESID 230 (V): N 120.723 120.723 121.101 -0.378 RESID 230 (V): C 177.983 177.983 177.305 0.678 RESID 230 (V): CA 66.832 66.832 65.404 1.428 RESID 230 (V): CB 31.168 31.168 31.197 -0.029 RESID 230 (V): H 8.027 8.027 7.292 0.735 RESID 231 (I): N 120.541 120.541 118.206 2.335 RESID 231 (I): C 177.368 177.368 176.837 0.531 RESID 231 (I): CA 65.575 65.575 62.824 2.751 RESID 231 (I): CB 37.722 37.722 38.125 -0.403 RESID 231 (I): H 8.458 8.458 7.250 1.208 RESID 232 (A): N 122.766 122.766 121.558 1.208 RESID 232 (A): C 178.847 178.847 179.852 -1.005 RESID 232 (A): CA 55.252 55.252 55.016 0.236 RESID 232 (A): CB 17.874 17.874 18.162 -0.288 RESID 232 (A): H 8.589 8.589 7.723 0.866 RESID 233 (S): N 113.387 113.387 113.984 -0.597 RESID 233 (S): CA 62.348 62.348 63.682 -1.334 RESID 233 (S): CB 61.630 61.630 61.263 0.367 RESID 233 (S): H 8.218 8.218 8.423 -0.205 RESID 234 (P): C 178.221 178.221 178.689 -0.468 RESID 235 (V): N 116.087 116.087 114.831 1.256 RESID 235 (V): C 177.089 177.089 177.567 -0.478 RESID 235 (V): CA 65.072 65.072 65.533 -0.461 RESID 235 (V): CB 31.084 31.084 31.389 -0.305 RESID 235 (V): H 8.142 8.142 7.338 0.804 RESID 236 (D): N 121.556 121.556 120.377 1.179 RESID 236 (D): C 177.422 177.422 178.377 -0.955 RESID 236 (D): CA 57.135 57.135 57.410 -0.275 RESID 236 (D): CB 40.065 40.065 41.291 -1.226 RESID 236 (D): H 7.932 7.932 7.480 0.452 RESID 237 (V): N 117.233 117.233 117.400 -0.167 RESID 237 (V): CA 64.977 64.977 65.243 -0.266 RESID 237 (V): CB 31.013 31.013 30.695 0.318 RESID 237 (V): H 7.710 7.710 7.625 0.085 RESID 238 (V): C 177.584 177.584 178.169 -0.585 RESID 238 (V): H 7.607 7.607 7.458 0.149 RESID 239 (K): N 120.095 120.095 119.481 0.614 RESID 239 (K): C 178.678 178.678 178.387 0.291 RESID 239 (K): CA 58.483 58.483 58.999 -0.516 RESID 239 (K): CB 31.863 31.863 31.864 -0.001 RESID 239 (K): H 7.761 7.761 7.606 0.155 RESID 240 (T): N 115.247 115.247 112.062 3.185 RESID 240 (T): C 175.093 175.093 175.858 -0.765 RESID 240 (T): CA 66.458 66.458 63.617 2.841 RESID 240 (T): CB 68.011 68.011 69.002 -0.992 RESID 240 (T): H 7.761 7.761 7.484 0.277 RESID 241 (R): N 119.633 119.633 123.111 -3.478 RESID 241 (R): CA 57.133 57.133 57.600 -0.467 RESID 241 (R): CB 31.218 31.218 30.617 0.601 RESID 241 (R): H 7.383 7.383 7.590 -0.207 RESID 242 (Y): C 174.956 174.956 173.508 1.448 RESID 242 (Y): H 8.699 8.699 8.511 0.188 RESID 243 (M): N 118.458 118.458 118.772 -0.314 RESID 243 (M): C 175.676 175.676 174.889 0.787 RESID 243 (M): CA 54.417 54.417 55.232 -0.815 RESID 243 (M): H 7.442 7.442 8.221 -0.779 RESID 244 (N): N 116.369 116.369 118.010 -1.641 RESID 244 (N): C 174.919 174.919 174.969 -0.050 RESID 244 (N): CA 59.470 59.470 53.499 5.971 RESID 244 (N): CB 39.079 39.079 38.381 0.698 RESID 244 (N): H 7.772 7.772 7.937 -0.165 RESID 245 (S): N 114.568 114.568 119.190 -4.622 RESID 245 (S): C 175.695 175.695 174.695 1.000 RESID 245 (S): CA 53.852 53.852 58.488 -4.636 RESID 245 (S): CB 61.232 61.232 63.811 -2.579 RESID 245 (S): H 8.475 8.475 8.302 0.173 RESID 246 (A): N 127.283 127.283 122.662 4.621 RESID 246 (A): C 177.128 177.128 177.161 -0.033 RESID 246 (A): CA 56.803 56.803 52.496 4.307 RESID 246 (A): CB 18.901 18.901 18.782 0.119 RESID 246 (A): H 7.929 7.929 8.232 -0.302 RESID 247 (L): N 118.112 118.112 124.439 -6.327 RESID 247 (L): C 176.723 176.723 178.914 -2.191 RESID 247 (L): CA 54.156 54.156 56.243 -2.087 RESID 247 (L): CB 41.215 41.215 41.771 -0.556 RESID 247 (L): H 7.922 7.922 8.539 -0.617 RESID 248 (G): N 107.203 107.203 106.618 0.585 RESID 248 (G): CA 44.558 44.558 45.108 -0.550 RESID 248 (G): H 8.318 8.318 8.161 0.157 RESID 250 (Y): C 175.942 175.942 174.343 1.599 RESID 250 (Y): H 8.134 8.134 7.886 0.248 RESID 251 (H): N 123.281 123.281 120.310 2.971 RESID 251 (H): C 174.531 174.531 174.388 0.143 RESID 251 (H): CA 58.931 58.931 57.831 1.100 RESID 251 (H): CB 29.525 29.525 30.371 -0.846 RESID 251 (H): H 8.184 8.184 8.487 -0.303 RESID 252 (S): N 110.038 110.038 109.851 0.187 RESID 252 (S): C 174.429 174.429 174.255 0.174 RESID 252 (S): CA 57.452 57.452 56.860 0.592 RESID 252 (S): CB 65.022 65.022 64.951 0.071 RESID 252 (S): H 8.010 8.010 7.627 0.383 RESID 253 (A): N 123.034 123.034 124.627 -1.593 RESID 253 (A): C 179.249 179.249 180.095 -0.846 RESID 253 (A): CA 54.981 54.981 54.933 0.048 RESID 253 (A): CB 19.069 19.069 18.929 0.140 RESID 253 (A): H 8.034 8.034 8.804 -0.770 RESID 254 (G): N 106.379 106.379 106.647 -0.268 RESID 254 (G): C 174.433 174.433 175.702 -1.269 RESID 254 (G): CA 47.615 47.615 46.964 0.651 RESID 254 (G): H 8.427 8.427 8.645 -0.218 RESID 255 (H): N 121.119 121.119 121.754 -0.635 RESID 255 (H): C 178.084 178.084 176.977 1.107 RESID 255 (H): CA 60.144 60.144 59.262 0.882 RESID 255 (H): CB 33.073 33.073 29.922 3.151 RESID 255 (H): H 8.304 8.304 7.837 0.467 RESID 256 (C): N 117.946 117.946 119.091 -1.145 RESID 256 (C): C 175.453 175.453 176.797 -1.344 RESID 256 (C): CA 58.668 58.668 62.322 -3.654 RESID 256 (C): CB 41.434 41.434 26.366 15.069 RESID 256 (C): H 8.168 8.168 8.101 0.067 RESID 257 (A): N 123.138 123.138 122.129 1.009 RESID 257 (A): C 179.489 179.489 179.973 -0.484 RESID 257 (A): CA 54.589 54.589 55.152 -0.563 RESID 257 (A): CB 17.675 17.675 18.259 -0.584 RESID 257 (A): H 7.932 7.932 7.378 0.554 RESID 258 (L): N 119.779 119.779 117.964 1.815 RESID 258 (L): C 178.234 178.234 179.153 -0.919 RESID 258 (L): CA 56.967 56.967 57.925 -0.958 RESID 258 (L): CB 41.067 41.067 42.039 -0.972 RESID 258 (L): H 7.681 7.681 7.952 -0.271 RESID 259 (T): N 114.552 114.552 113.424 1.128 RESID 259 (T): C 176.244 176.244 176.716 -0.472 RESID 259 (T): CA 66.511 66.511 65.866 0.645 RESID 259 (T): CB 67.274 67.274 68.685 -1.411 RESID 259 (T): H 7.855 7.855 8.239 -0.384 RESID 260 (M): N 118.862 118.862 120.502 -1.640 RESID 260 (M): C 177.094 177.094 177.621 -0.527 RESID 260 (M): CA 58.532 58.532 58.316 0.217 RESID 260 (M): CB 32.288 32.288 32.015 0.273 RESID 260 (M): H 8.296 8.296 8.158 0.138 RESID 261 (L): N 116.839 116.839 118.861 -2.022 RESID 261 (L): C 178.162 178.162 179.087 -0.925 RESID 261 (L): CA 58.167 58.167 57.424 0.743 RESID 261 (L): CB 42.202 42.202 42.022 0.180 RESID 261 (L): H 8.053 8.053 7.520 0.533 RESID 262 (R): N 116.821 116.821 117.807 -0.986 RESID 262 (R): CA 58.761 58.761 58.152 0.609 RESID 262 (R): CB 30.825 30.825 30.979 -0.154 RESID 262 (R): H 7.827 7.827 7.824 0.003 RESID 266 (P): C 177.152 177.152 178.185 -1.033 RESID 266 (P): CA 65.152 65.152 64.317 0.836 RESID 267 (R): N 117.739 117.739 117.760 -0.021 RESID 267 (R): C 177.463 177.463 177.716 -0.253 RESID 267 (R): CA 59.335 59.335 58.345 0.990 RESID 267 (R): CB 30.185 30.185 28.777 1.408 RESID 267 (R): H 8.072 8.072 7.978 0.094 RESID 268 (A): N 121.709 121.709 121.869 -0.160 RESID 268 (A): C 179.251 179.251 178.769 0.482 RESID 268 (A): CA 54.631 54.631 54.474 0.157 RESID 268 (A): CB 18.683 18.683 18.014 0.669 RESID 268 (A): H 7.963 7.963 7.791 0.172 RESID 269 (F): N 117.096 117.096 116.876 0.220 RESID 269 (F): C 175.987 175.987 177.677 -1.690 RESID 269 (F): CA 61.037 61.037 61.114 -0.076 RESID 269 (F): CB 38.637 38.637 38.803 -0.166 RESID 269 (F): H 7.832 7.832 7.673 0.159 RESID 270 (Y): N 118.496 118.496 117.814 0.682 RESID 270 (Y): C 176.250 176.250 176.548 -0.298 RESID 270 (Y): CA 60.116 60.116 60.255 -0.139 RESID 270 (Y): CB 38.882 38.882 38.471 0.411 RESID 270 (Y): H 7.813 7.813 7.735 0.078 RESID 271 (K): N 119.458 119.458 119.666 -0.208 RESID 271 (K): C 177.696 177.696 176.939 0.757 RESID 271 (K): CA 57.192 57.192 56.365 0.827 RESID 271 (K): CB 32.734 32.734 33.370 -0.636 RESID 271 (K): H 7.864 7.864 8.014 -0.150 RESID 272 (G): N 106.217 106.217 107.443 -1.226 RESID 272 (G): C 173.967 173.967 173.412 0.555 RESID 272 (G): CA 46.117 46.117 45.815 0.302 RESID 272 (G): H 7.622 7.622 8.310 -0.688 RESID 273 (F): N 118.847 118.847 117.207 1.640 RESID 273 (F): C 175.055 175.055 174.881 0.174 RESID 273 (F): CA 57.721 57.721 56.930 0.791 RESID 273 (F): CB 40.183 40.183 39.273 0.910 RESID 273 (F): H 7.677 7.677 7.220 0.457 RESID 277 (F): C 176.602 176.602 176.902 -0.300 RESID 277 (F): CA 61.838 61.838 61.553 0.285 RESID 277 (F): CB 39.537 39.537 39.311 0.226 RESID 277 (F): H 7.695 7.695 8.395 -0.700 RESID 278 (L): N 118.465 118.465 120.308 -1.843 RESID 278 (L): C 177.152 177.152 178.498 -1.346 RESID 278 (L): CA 56.115 56.115 58.272 -2.157 RESID 278 (L): CB 42.398 42.398 41.924 0.474 RESID 278 (L): H 8.104 8.104 8.035 0.069 RESID 279 (R): N 118.749 118.749 119.322 -0.573 RESID 279 (R): C 176.608 176.608 178.980 -2.372 RESID 279 (R): CA 56.938 56.938 58.341 -1.403 RESID 279 (R): CB 30.659 30.659 29.474 1.185 RESID 279 (R): H 7.472 7.472 7.980 -0.508 RESID 280 (L): N 120.305 120.305 119.935 0.370 RESID 280 (L): C 177.540 177.540 178.817 -1.277 RESID 280 (L): CA 57.094 57.094 58.051 -0.957 RESID 280 (L): CB 42.027 42.027 41.511 0.516 RESID 280 (L): H 7.690 7.690 8.341 -0.651 RESID 281 (G): N 106.837 106.837 105.835 1.002 RESID 281 (G): C 174.045 174.045 175.845 -1.800 RESID 281 (G): CA 46.967 46.967 47.268 -0.301 RESID 281 (G): H 7.881 7.881 7.832 0.049 RESID 282 (S): N 115.531 115.531 118.256 -2.725 RESID 282 (S): C 174.123 174.123 176.351 -2.228 RESID 282 (S): CA 58.796 58.796 61.149 -2.353 RESID 282 (S): CB 58.975 58.975 62.985 -4.010 RESID 282 (S): H 7.813 7.813 7.613 0.200 RESID 283 (W): N 122.851 122.851 123.908 -1.057 RESID 283 (W): C 176.142 176.142 177.099 -0.957 RESID 283 (W): CA 59.221 59.221 60.205 -0.984 RESID 283 (W): CB 30.446 30.446 29.730 0.716 RESID 283 (W): H 8.186 8.186 8.427 -0.241 RESID 284 (N): N 118.459 118.459 118.596 -0.137 RESID 284 (N): CA 55.325 55.325 56.494 -1.169 RESID 284 (N): CB 39.504 39.504 38.698 0.806 RESID 284 (N): H 8.127 8.127 7.890 0.237 RESID 285 (V): C 177.263 177.263 177.743 -0.480 RESID 285 (V): H 7.854 7.854 7.644 0.210 RESID 286 (V): N 119.883 119.883 116.809 3.074 RESID 286 (V): C 177.072 177.072 177.469 -0.397 RESID 286 (V): CA 64.717 64.717 65.710 -0.993 RESID 286 (V): CB 29.553 29.553 31.252 -1.699 RESID 286 (V): H 7.483 7.483 7.179 0.304 RESID 287 (M): N 120.401 120.401 119.752 0.649 RESID 287 (M): C 177.594 177.594 177.718 -0.124 RESID 287 (M): CA 57.654 57.654 57.508 0.146 RESID 287 (M): CB 31.592 31.592 31.928 -0.337 RESID 287 (M): H 8.118 8.118 7.195 0.923 RESID 288 (F): N 122.234 122.234 120.559 1.675 RESID 288 (F): C 176.498 176.498 177.480 -0.982 RESID 288 (F): CA 61.766 61.766 62.209 -0.443 RESID 288 (F): CB 39.031 39.031 39.031 0.000 RESID 288 (F): H 7.878 7.878 7.585 0.293 RESID 289 (V): N 118.907 118.907 118.170 0.737 RESID 289 (V): CA 64.566 64.566 67.095 -2.529 RESID 289 (V): CB 30.544 30.544 31.763 -1.219 RESID 289 (V): H 7.913 7.913 7.661 0.252 RESID 290 (T): C 175.376 175.376 176.429 -1.053 RESID 290 (T): H 8.095 8.095 7.404 0.691 RESID 291 (Y): N 118.029 118.029 123.283 -5.254 RESID 291 (Y): C 176.919 176.919 176.983 -0.064 RESID 291 (Y): CA 61.717 61.717 61.928 -0.211 RESID 291 (Y): CB 38.020 38.020 38.253 -0.233 RESID 291 (Y): H 7.986 7.986 7.582 0.404 RESID 292 (E): N 118.005 118.005 118.832 -0.827 RESID 292 (E): C 176.686 176.686 178.789 -2.103 RESID 292 (E): CA 60.084 60.084 59.894 0.190 RESID 292 (E): CB 29.443 29.443 28.303 1.140 RESID 292 (E): H 8.359 8.359 7.981 0.378 RESID 293 (Q): N 118.746 118.746 118.534 0.212 RESID 293 (Q): C 176.210 176.210 178.107 -1.897 RESID 293 (Q): CA 58.986 58.986 58.230 0.756 RESID 293 (Q): CB 28.784 28.784 28.446 0.338 RESID 293 (Q): H 7.704 7.704 7.333 0.371 RESID 294 (L): N 120.970 120.970 118.235 2.735 RESID 294 (L): C 178.084 178.084 178.189 -0.105 RESID 294 (L): CA 58.741 58.741 57.061 1.680 RESID 294 (L): CB 41.451 41.451 41.521 -0.070 RESID 294 (L): H 7.995 7.995 7.353 0.642 RESID 295 (K): N 117.756 117.756 117.161 0.595 RESID 295 (K): CA 59.048 59.048 57.742 1.306 RESID 295 (K): CB 31.871 31.871 32.924 -1.053 RESID 295 (K): H 7.731 7.731 7.677 0.054 RESID 296 (R): H 7.895 7.895 7.957 -0.062 RESID 297 (A): C 176.488 176.488 176.171 0.317 RESID 297 (A): H 8.223 8.223 8.554 -0.331 RESID 298 (L): N 117.376 117.376 116.938 0.438 RESID 298 (L): C 178.628 178.628 175.832 2.796 RESID 298 (L): CA 58.217 58.217 53.824 4.393 RESID 298 (L): CB 41.905 41.905 42.905 -1.000 RESID 298 (L): H 7.947 7.947 7.693 0.254 RESID 299 (M): N 127.376 127.376 120.180 7.196 RESID 299 (M): C 178.472 178.472 174.570 3.902 RESID 299 (M): CA 58.461 58.461 56.454 2.007 RESID 299 (M): CB 32.110 32.110 32.766 -0.655 RESID 299 (M): H 8.182 8.182 8.383 -0.201 RESID 300 (A): N 121.854 121.854 123.875 -2.021 RESID 300 (A): C 180.197 180.197 175.883 4.314 RESID 300 (A): CA 55.617 55.617 52.743 2.874 RESID 300 (A): CB 18.215 18.215 19.925 -1.710 RESID 300 (A): H 7.841 7.841 8.012 -0.171 RESID 301 (A): N 121.224 121.224 127.467 -6.243 RESID 301 (A): C 178.939 178.939 178.121 0.818 RESID 301 (A): CA 55.186 55.186 54.530 0.656 RESID 301 (A): CB 18.735 18.735 18.869 -0.134 RESID 301 (A): H 7.872 7.872 8.743 -0.871 RESID 302 (Y): N 118.183 118.183 119.720 -1.537 RESID 302 (Y): C 176.841 176.841 177.668 -0.827 RESID 302 (Y): CA 60.868 60.868 61.586 -0.718 RESID 302 (Y): CB 39.344 39.344 37.969 1.375 RESID 302 (Y): H 8.100 8.100 8.434 -0.334 RESID 303 (Q): N 117.243 117.243 118.707 -1.464 RESID 303 (Q): C 176.997 176.997 178.697 -1.700 RESID 303 (Q): CA 58.787 58.787 59.000 -0.213 RESID 303 (Q): CB 29.216 29.216 28.095 1.121 RESID 303 (Q): H 8.059 8.059 8.596 -0.537 RESID 304 (S): N 114.721 114.721 114.841 -0.120 RESID 304 (S): C 174.511 174.511 176.065 -1.554 RESID 304 (S): CA 59.720 59.720 61.082 -1.362 RESID 304 (S): CB 63.896 63.896 62.938 0.958 RESID 304 (S): H 7.718 7.718 7.910 -0.192 RESID 305 (R): N 121.401 121.401 119.739 1.662 RESID 305 (R): C 175.521 175.521 177.718 -2.197 RESID 305 (R): CA 59.639 59.639 58.051 1.588 RESID 305 (R): CB 30.568 30.568 30.356 0.212 RESID 305 (R): H 7.609 7.609 8.147 -0.538 RESID 306 (E): N 120.090 120.090 117.306 2.784 RESID 306 (E): C 177.648 177.648 178.916 -1.268 RESID 306 (E): CA 59.624 59.624 58.576 1.048 RESID 306 (E): CB 30.362 30.362 29.250 1.112 RESID 306 (E): H 7.909 7.909 7.680 0.229 RESID 307 (A): N 121.234 121.234 125.136 -3.902 RESID 307 (A): C 176.014 176.014 177.377 -1.363 RESID 307 (A): CA 56.844 56.844 55.368 1.476 RESID 307 (A): CB 17.735 17.735 16.833 0.902 RESID 307 (A): H 7.760 7.760 7.796 -0.036 N HA C CA CB H RESID 16 (K): -2.006 ----- -2.441 0.572 0.510 -0.733 RESID 17 (F): -1.834 ----- -2.126 -0.171 1.071 -0.185 RESID 18 (L): -1.031 ----- -0.406 -1.135 1.186 -0.270 RESID 19 (G): 0.755 ----- -0.537 -1.576 ----- -0.361 RESID 20 (A): 0.468 ----- 0.448 0.153 0.657 0.395 RESID 21 (G): 1.020 ----- -0.524 -0.398 ----- 0.629 RESID 22 (T): 1.746 ----- -0.156 0.256 0.253 -0.304 RESID 23 (A): -0.077 ----- -0.347 0.412 0.202 0.860 RESID 24 (A): -0.573 ----- -0.224 0.067 0.337 -0.400 RESID 25 (C): -0.370 ----- -0.751 -5.222 13.585 0.309 RESID 26 (I): 0.736 ----- -0.343 0.602 1.086 0.305 RESID 27 (A): -0.891 ----- 0.195 0.279 -0.354 -0.012 RESID 28 (D): -0.318 ----- -0.689 0.065 0.554 -0.013 RESID 29 (L): -1.050 ----- -0.631 -0.778 1.581 0.439 RESID 30 (I): 1.672 ----- -0.493 -3.231 0.836 0.336 RESID 31 (T): -2.919 ----- -1.440 -1.324 0.138 0.334 RESID 32 (F): -0.537 ----- ----- -5.599 1.784 -1.052 RESID 33 (P): ----- ----- 0.313 -2.314 3.723 ----- RESID 34 (L): 8.115 ----- -2.043 -1.653 1.780 1.491 RESID 35 (D): 3.952 ----- -0.943 -2.429 1.456 0.525 RESID 36 (T): 4.048 ----- 0.862 -0.746 0.740 0.474 RESID 37 (A): 1.495 ----- -0.054 0.255 0.397 0.570 RESID 38 (K): -0.004 ----- -0.190 -0.096 0.711 0.186 RESID 39 (V): 3.499 ----- -0.229 1.016 3.315 0.133 RESID 40 (R): 0.564 ----- -0.443 1.823 0.226 0.353 RESID 41 (L): -3.309 ----- ----- 0.522 0.106 0.012 RESID 49 (G): ----- ----- -0.284 ----- ----- ----- RESID 50 (L): 1.699 ----- 0.507 -0.321 -0.223 0.258 RESID 51 (V): 3.564 ----- -0.039 0.755 0.429 0.104 RESID 52 (R): 1.208 ----- ----- 0.034 -0.417 -0.059 RESID 53 (T): ----- ----- 0.129 ----- ----- 0.455 RESID 54 (A): -1.752 ----- -1.801 -0.593 0.280 -0.096 RESID 55 (A): -10.399 ----- 0.914 -0.878 0.120 -1.347 RESID 56 (S): 12.828 ----- 1.240 2.566 0.216 0.244 RESID 57 (A): -2.521 ----- ----- 0.796 -0.026 0.003 RESID 59 (Y): ----- ----- 1.051 ----- ----- ----- RESID 60 (R): 1.825 ----- 1.143 1.325 0.519 -0.317 RESID 61 (G): 1.788 ----- 0.410 1.212 ----- 0.058 RESID 62 (V): 0.364 ----- 0.242 1.767 0.453 -0.198 RESID 63 (L): -0.290 ----- -0.587 0.642 1.072 -0.054 RESID 64 (G): 0.233 ----- 0.176 0.488 ----- 0.396 RESID 65 (T): 1.699 ----- -0.353 0.544 0.517 0.377 RESID 66 (I): 3.845 ----- -0.238 1.490 0.897 0.630 RESID 67 (L): -0.420 ----- 0.082 0.346 -0.355 0.667 RESID 68 (T): 0.397 ----- 0.149 0.374 0.600 0.678 RESID 69 (M): 3.470 ----- -0.611 0.685 0.921 0.351 RESID 70 (V): -0.758 ----- -0.168 1.228 -0.219 0.209 RESID 71 (R): 0.045 ----- -1.082 0.705 0.465 0.300 RESID 72 (T): -3.333 ----- -0.369 -1.397 1.302 0.092 RESID 73 (E): 1.222 ----- 1.407 0.505 -1.068 0.406 RESID 74 (G): 2.241 ----- ----- 0.714 ----- 0.432 RESID 75 (P): ----- ----- -1.084 0.883 0.335 ----- RESID 76 (R): 2.658 ----- 0.310 1.865 1.014 -0.098 RESID 77 (S): 1.852 ----- 1.656 0.894 -0.068 -0.220 RESID 78 (L): 2.697 ----- 0.124 1.361 0.054 0.133 RESID 79 (Y): 6.514 ----- 0.347 2.664 -0.099 0.519 RESID 80 (N): -1.825 ----- 2.732 -0.278 -0.243 0.996 RESID 81 (G): -5.218 ----- 0.094 0.638 ----- -0.474 RESID 82 (L): 3.095 ----- 0.486 0.545 0.897 0.827 RESID 83 (V): -0.649 ----- 1.254 -0.632 0.267 -0.096 RESID 84 (A): -0.315 ----- 0.893 0.340 0.093 0.103 RESID 85 (G): -1.138 ----- -0.540 0.483 ----- 0.332 RESID 86 (L): -0.302 ----- -0.992 -0.043 0.538 0.589 RESID 87 (Q): -0.239 ----- -0.682 -0.828 0.850 0.209 RESID 88 (R): -1.144 ----- -1.055 -1.809 0.823 0.122 RESID 89 (Q): 0.326 ----- -1.104 -1.580 0.727 0.240 RESID 90 (M): -1.890 ----- -1.329 -1.608 1.134 -0.481 RESID 91 (S): -0.548 ----- -0.551 -2.266 1.529 -0.045 RESID 92 (F): -0.576 ----- 0.827 -2.415 -0.245 0.775 RESID 93 (A): 3.368 ----- -0.203 0.512 -0.401 0.431 RESID 94 (S): -2.607 ----- -0.264 -0.623 0.056 0.290 RESID 95 (V): 3.509 ----- -0.277 -0.433 0.060 -0.191 RESID 96 (R): 2.552 ----- -0.104 0.468 1.316 0.539 RESID 97 (I): 0.708 ----- 0.522 1.689 1.224 0.276 RESID 98 (G): 1.944 ----- 1.280 0.889 ----- 0.301 RESID 99 (L): 0.714 ----- -0.082 1.409 1.029 -0.270 RESID 100 (Y): -0.956 ----- 0.088 -0.647 0.122 0.409 RESID 101 (D): 0.692 ----- 0.430 0.753 -0.021 -0.284 RESID 102 (S): 0.496 ----- -0.294 0.652 1.020 0.109 RESID 103 (V): 3.141 ----- -0.117 1.420 0.657 0.686 RESID 104 (K): 0.615 ----- -0.154 1.170 0.255 0.667 RESID 105 (Q): 1.198 ----- 0.006 1.006 -0.268 -0.042 RESID 106 (F): 2.614 ----- 1.384 0.434 0.236 0.389 RESID 107 (Y): 5.379 ----- -0.566 2.343 -0.977 0.804 RESID 108 (T): -0.235 ----- 1.340 2.332 1.697 0.357 RESID 113 (H): ----- ----- -0.247 ----- ----- -0.671 RESID 114 (A): -4.744 ----- 1.289 0.798 0.455 0.271 RESID 115 (G): 2.351 ----- -0.253 0.716 ----- 0.088 RESID 116 (I): -0.554 ----- -0.608 -1.168 1.073 0.030 RESID 117 (G): 3.664 ----- -1.550 -0.318 ----- 0.160 RESID 118 (S): -1.213 ----- -1.172 -1.068 0.845 -0.042 RESID 119 (R): 0.789 ----- -0.497 -1.156 0.860 -0.660 RESID 120 (L): -1.915 ----- -0.857 -0.295 0.392 0.206 RESID 121 (L): -0.481 ----- -1.795 -2.827 1.002 -0.651 RESID 122 (A): 0.809 ----- -1.929 -1.877 0.683 -1.252 RESID 123 (G): 1.084 ----- 0.553 -1.134 ----- -0.884 RESID 124 (S): -0.830 ----- -1.235 -2.866 0.908 -0.561 RESID 125 (T): 0.060 ----- -0.824 1.089 1.083 -0.220 RESID 126 (T): -3.423 ----- 0.671 -1.659 -0.086 -0.639 RESID 127 (G): 6.700 ----- -0.844 -0.728 ----- -0.066 RESID 128 (A): -0.726 ----- -1.265 -1.393 0.579 0.453 RESID 129 (L): 1.465 ----- -1.173 -1.484 1.240 0.352 RESID 130 (A): 1.858 ----- -1.695 -1.663 0.812 -0.082 RESID 131 (V): 0.609 ----- -1.006 -1.540 1.369 -0.310 RESID 132 (A): 1.448 ----- 0.595 -0.775 0.491 0.314 RESID 133 (V): -4.545 ----- -0.348 0.981 -0.724 -0.401 RESID 134 (A): 3.205 ----- ----- 3.045 ----- 0.092 RESID 136 (P): ----- ----- -1.759 ----- ----- ----- RESID 137 (T): -0.419 ----- -2.398 -2.184 1.634 -0.427 RESID 138 (D): 0.423 ----- -0.005 -0.307 0.722 0.310 RESID 139 (V): 3.034 ----- -0.311 0.253 1.049 0.171 RESID 140 (V): 3.725 ----- -1.651 0.498 0.662 0.602 RESID 141 (K): -0.369 ----- -2.967 -3.743 -0.683 0.232 RESID 142 (V): 3.124 ----- ----- -2.410 ----- 0.364 RESID 143 (R): ----- ----- -0.028 ----- ----- 0.178 RESID 144 (F): 1.358 ----- 1.231 0.304 ----- -0.152 RESID 145 (Q): 7.497 ----- -2.689 -1.313 1.641 0.343 RESID 146 (A): 0.263 ----- 0.183 0.230 -0.671 0.490 RESID 147 (Q): 0.931 ----- 1.091 0.476 1.474 0.554 RESID 148 (A): -2.876 ----- 0.231 0.666 -0.420 -0.128 RESID 149 (R): 0.629 ----- ----- 0.943 -0.036 0.033 RESID 159 (T): ----- ----- -0.367 ----- ----- ----- RESID 160 (V): -2.916 ----- 0.398 -1.301 0.162 -0.081 RESID 161 (E): 2.351 ----- 0.136 0.034 1.185 -0.525 RESID 162 (A): -0.340 ----- 0.534 0.222 -0.230 -0.341 RESID 163 (Y): -0.650 ----- -0.652 -0.748 -0.809 -0.172 RESID 164 (K): 1.723 ----- -0.758 0.759 -0.009 0.511 RESID 165 (T): 0.213 ----- -0.524 0.161 0.500 -0.466 RESID 166 (I): 0.188 ----- 0.767 0.281 1.169 0.091 RESID 167 (A): -0.366 ----- -1.503 -0.067 0.565 0.427 RESID 168 (R): -2.957 ----- -1.077 -0.146 0.983 -0.148 RESID 169 (E): 0.730 ----- -0.779 -0.238 0.357 0.298 RESID 170 (E): 0.489 ----- 0.780 0.262 0.295 0.248 RESID 171 (G): 1.814 ----- -0.217 0.439 ----- 0.225 RESID 172 (I): 3.281 ----- -0.064 0.287 0.836 0.346 RESID 173 (R): -1.872 ----- -0.296 0.093 0.894 -0.195 RESID 174 (G): 0.008 ----- -0.952 0.084 ----- -0.178 RESID 175 (L): -1.548 ----- -0.636 -0.155 0.296 0.298 RESID 176 (W): -1.166 ----- -0.817 -0.044 1.415 -0.675 RESID 177 (K): 0.702 ----- -1.043 -1.497 0.693 0.134 RESID 178 (G): 4.284 ----- -1.528 0.042 ----- -0.187 RESID 179 (T): -1.772 ----- -1.423 1.008 2.115 -0.064 RESID 180 (S): 1.422 ----- ----- 0.315 -0.122 0.328 RESID 182 (N): ----- ----- -0.626 ----- ----- ----- RESID 183 (V): -2.247 ----- -0.648 -1.310 1.341 0.152 RESID 184 (A): 0.383 ----- -1.067 0.014 10.021 0.466 RESID 185 (R): -2.071 ----- -0.600 0.408 -0.198 -0.516 RESID 186 (N): -0.500 ----- -0.761 0.109 1.088 0.062 RESID 187 (A): -1.503 ----- -0.956 0.588 -0.612 -0.269 RESID 188 (I): -0.274 ----- -1.458 -1.291 -0.193 -0.593 RESID 189 (V): -2.677 ----- -0.537 -1.586 0.525 -0.600 RESID 190 (N): 0.629 ----- -1.000 0.277 -0.206 -0.074 RESID 191 (C): 1.083 ----- -0.911 -2.228 15.074 -0.519 RESID 192 (A): -0.081 ----- -0.618 -0.014 -0.193 -0.532 RESID 193 (E): -5.017 ----- -1.736 -0.643 0.353 -0.760 RESID 194 (L): -3.200 ----- -1.560 -1.967 -0.047 -0.079 RESID 195 (V): -0.298 ----- -1.069 -2.543 -0.508 0.016 RESID 196 (T): 7.541 ----- -1.262 -0.607 0.506 0.395 RESID 197 (Y): 0.794 ----- -0.185 0.007 -0.334 0.814 RESID 198 (D): -0.397 ----- -0.583 0.524 0.204 0.474 RESID 199 (L): 2.165 ----- 1.113 0.971 1.476 0.048 RESID 200 (I): 6.248 ----- -1.024 1.246 0.738 0.497 RESID 201 (K): 1.089 ----- -0.942 1.752 -0.227 0.893 RESID 202 (D): 0.603 ----- 1.648 1.540 0.202 0.394 RESID 203 (T): 1.405 ----- ----- -0.735 -1.030 0.331 RESID 204 (L): ----- ----- 0.338 ----- ----- -0.813 RESID 205 (L): 0.399 ----- 4.211 1.575 0.521 0.150 RESID 206 (K): 1.485 ----- 0.105 2.896 -0.603 0.307 RESID 207 (A): -0.874 ----- -0.068 -1.481 1.101 -1.293 RESID 208 (N): 2.786 ----- -0.001 1.805 -0.642 -0.515 RESID 212 (D): ----- ----- -0.858 ----- ----- ----- RESID 213 (D): -7.491 ----- -1.537 0.454 -0.282 -0.536 RESID 214 (L): -2.961 ----- ----- 0.400 -0.086 -0.286 RESID 215 (P): ----- ----- -0.543 0.245 -0.906 ----- RESID 216 (C): -2.908 ----- -1.104 -3.457 14.305 -0.068 RESID 217 (H): 0.811 ----- -0.493 -1.911 0.798 -0.330 RESID 218 (F): 0.392 ----- -1.454 -2.958 0.402 0.903 RESID 219 (T): -2.645 ----- -0.799 -2.609 -5.010 0.160 RESID 220 (S): 0.263 ----- -1.363 -0.516 0.650 0.331 RESID 221 (A): -0.459 ----- -1.967 -1.043 0.654 0.103 RESID 222 (F): -4.326 ----- -1.380 -3.352 0.429 -0.482 RESID 223 (G): 2.144 ----- -1.615 -1.070 ----- -0.226 RESID 224 (A): -1.178 ----- -1.241 -1.131 0.792 0.117 RESID 225 (G): 0.327 ----- -0.173 0.211 ----- -0.299 RESID 226 (F): -0.418 ----- -0.074 -0.126 -1.028 -0.027 RESID 227 (C): -0.785 ----- ----- -1.529 14.010 0.209 RESID 228 (T): ----- ----- 0.224 ----- ----- 0.021 RESID 229 (T): -1.367 ----- 0.562 -0.533 -0.483 0.259 RESID 230 (V): -0.378 ----- 0.678 1.428 -0.029 0.735 RESID 231 (I): 2.335 ----- 0.531 2.751 -0.403 1.208 RESID 232 (A): 1.208 ----- -1.005 0.236 -0.288 0.866 RESID 233 (S): -0.597 ----- ----- -1.334 0.367 -0.205 RESID 234 (P): ----- ----- -0.468 ----- ----- ----- RESID 235 (V): 1.256 ----- -0.478 -0.461 -0.305 0.804 RESID 236 (D): 1.179 ----- -0.955 -0.275 -1.226 0.452 RESID 237 (V): -0.167 ----- ----- -0.266 0.318 0.085 RESID 238 (V): ----- ----- -0.585 ----- ----- 0.149 RESID 239 (K): 0.614 ----- 0.291 -0.516 -0.001 0.155 RESID 240 (T): 3.185 ----- -0.765 2.841 -0.992 0.277 RESID 241 (R): -3.478 ----- ----- -0.467 0.601 -0.207 RESID 242 (Y): ----- ----- 1.448 ----- ----- 0.188 RESID 243 (M): -0.314 ----- 0.787 -0.815 ----- -0.779 RESID 244 (N): -1.641 ----- -0.050 5.971 0.698 -0.165 RESID 245 (S): -4.622 ----- 1.000 -4.636 -2.579 0.173 RESID 246 (A): 4.621 ----- -0.033 4.307 0.119 -0.302 RESID 247 (L): -6.327 ----- -2.191 -2.087 -0.556 -0.617 RESID 248 (G): 0.585 ----- ----- -0.550 ----- 0.157 RESID 250 (Y): ----- ----- 1.599 ----- ----- 0.248 RESID 251 (H): 2.971 ----- 0.143 1.100 -0.846 -0.303 RESID 252 (S): 0.187 ----- 0.174 0.592 0.071 0.383 RESID 253 (A): -1.593 ----- -0.846 0.048 0.140 -0.770 RESID 254 (G): -0.268 ----- -1.269 0.651 ----- -0.218 RESID 255 (H): -0.635 ----- 1.107 0.882 3.151 0.467 RESID 256 (C): -1.145 ----- -1.344 -3.654 15.069 0.067 RESID 257 (A): 1.009 ----- -0.484 -0.563 -0.584 0.554 RESID 258 (L): 1.815 ----- -0.919 -0.958 -0.972 -0.271 RESID 259 (T): 1.128 ----- -0.472 0.645 -1.411 -0.384 RESID 260 (M): -1.640 ----- -0.527 0.217 0.273 0.138 RESID 261 (L): -2.022 ----- -0.925 0.743 0.180 0.533 RESID 262 (R): -0.986 ----- ----- 0.609 -0.154 0.003 RESID 266 (P): ----- ----- -1.033 0.836 ----- ----- RESID 267 (R): -0.021 ----- -0.253 0.990 1.408 0.094 RESID 268 (A): -0.160 ----- 0.482 0.157 0.669 0.172 RESID 269 (F): 0.220 ----- -1.690 -0.076 -0.166 0.159 RESID 270 (Y): 0.682 ----- -0.298 -0.139 0.411 0.078 RESID 271 (K): -0.208 ----- 0.757 0.827 -0.636 -0.150 RESID 272 (G): -1.226 ----- 0.555 0.302 ----- -0.688 RESID 273 (F): 1.640 ----- 0.174 0.791 0.910 0.457 RESID 277 (F): ----- ----- -0.300 0.285 0.226 -0.700 RESID 278 (L): -1.843 ----- -1.346 -2.157 0.474 0.069 RESID 279 (R): -0.573 ----- -2.372 -1.403 1.185 -0.508 RESID 280 (L): 0.370 ----- -1.277 -0.957 0.516 -0.651 RESID 281 (G): 1.002 ----- -1.800 -0.301 ----- 0.049 RESID 282 (S): -2.725 ----- -2.228 -2.353 -4.010 0.200 RESID 283 (W): -1.057 ----- -0.957 -0.984 0.716 -0.241 RESID 284 (N): -0.137 ----- ----- -1.169 0.806 0.237 RESID 285 (V): ----- ----- -0.480 ----- ----- 0.210 RESID 286 (V): 3.074 ----- -0.397 -0.993 -1.699 0.304 RESID 287 (M): 0.649 ----- -0.124 0.146 -0.337 0.923 RESID 288 (F): 1.675 ----- -0.982 -0.443 0.000 0.293 RESID 289 (V): 0.737 ----- ----- -2.529 -1.219 0.252 RESID 290 (T): ----- ----- -1.053 ----- ----- 0.691 RESID 291 (Y): -5.254 ----- -0.064 -0.211 -0.233 0.404 RESID 292 (E): -0.827 ----- -2.103 0.190 1.140 0.378 RESID 293 (Q): 0.212 ----- -1.897 0.756 0.338 0.371 RESID 294 (L): 2.735 ----- -0.105 1.680 -0.070 0.642 RESID 295 (K): 0.595 ----- ----- 1.306 -1.053 0.054 RESID 296 (R): ----- ----- ----- ----- ----- -0.062 RESID 297 (A): ----- ----- 0.317 ----- ----- -0.331 RESID 298 (L): 0.438 ----- 2.796 4.393 -1.000 0.254 RESID 299 (M): 7.196 ----- 3.902 2.007 -0.655 -0.201 RESID 300 (A): -2.021 ----- 4.314 2.874 -1.710 -0.171 RESID 301 (A): -6.243 ----- 0.818 0.656 -0.134 -0.871 RESID 302 (Y): -1.537 ----- -0.827 -0.718 1.375 -0.334 RESID 303 (Q): -1.464 ----- -1.700 -0.213 1.121 -0.537 RESID 304 (S): -0.120 ----- -1.554 -1.362 0.958 -0.192 RESID 305 (R): 1.662 ----- -2.197 1.588 0.212 -0.538 RESID 306 (E): 2.784 ----- -1.268 1.048 1.112 0.229 RESID 307 (A): -3.902 ----- -1.363 1.476 0.902 -0.036 DATA CS_STAT_INFO N RMS: 2.641 ppm Count: 236 Average Difference: -0.258 +/- 2.634 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.134 ppm Count: 239 Average Difference: 0.361 +/- 1.077 ppm DATA CS_STAT_INFO CA RMS: 1.523 ppm Count: 241 Average Difference: 0.094 +/- 1.523 ppm DATA CS_STAT_INFO CB RMS: 2.507 ppm Count: 215 Average Difference: -0.678 +/- 2.419 ppm DATA CS_STAT_INFO HN RMS: 0.450 ppm Count: 249 Average Difference: -0.063 +/- 0.446 ppm ############################################################################ For conformer 15: Atom Original Corrected SPARTA Difference RESID 15 (V): N 123.095 123.095 124.968 -1.873 RESID 15 (V): C 176.453 176.453 176.260 0.193 RESID 15 (V): CA 63.979 63.979 60.419 3.560 RESID 15 (V): CB 32.507 32.507 35.417 -2.910 RESID 15 (V): H 8.053 8.053 8.142 -0.089 RESID 16 (K): N 123.075 123.075 124.918 -1.843 RESID 16 (K): C 176.841 176.841 179.113 -2.272 RESID 16 (K): CA 59.762 59.762 59.103 0.659 RESID 16 (K): CB 32.751 32.751 32.052 0.699 RESID 16 (K): H 8.059 8.059 8.795 -0.736 RESID 17 (F): N 118.838 118.838 117.946 0.892 RESID 17 (F): C 175.443 175.443 178.362 -2.919 RESID 17 (F): CA 59.915 59.915 61.411 -1.496 RESID 17 (F): CB 39.659 39.659 38.091 1.568 RESID 17 (F): H 7.909 7.909 8.085 -0.176 RESID 18 (L): N 119.089 119.089 120.091 -1.002 RESID 18 (L): C 177.195 177.195 178.512 -1.317 RESID 18 (L): CA 55.385 55.385 56.605 -1.220 RESID 18 (L): CB 42.905 42.905 41.651 1.254 RESID 18 (L): H 7.814 7.814 8.052 -0.238 RESID 19 (G): N 108.484 108.484 107.697 0.787 RESID 19 (G): C 174.967 174.967 175.558 -0.591 RESID 19 (G): CA 45.518 45.518 47.148 -1.630 RESID 19 (G): H 8.032 8.032 8.418 -0.386 RESID 20 (A): N 124.208 124.208 123.877 0.331 RESID 20 (A): C 179.405 179.405 179.543 -0.138 RESID 20 (A): CA 54.531 54.531 54.506 0.025 RESID 20 (A): CB 18.995 18.995 18.290 0.705 RESID 20 (A): H 8.318 8.318 7.986 0.332 RESID 21 (G): N 108.209 108.209 107.222 0.987 RESID 21 (G): C 175.676 175.676 176.311 -0.635 RESID 21 (G): CA 46.742 46.742 47.453 -0.711 RESID 21 (G): H 8.523 8.523 8.213 0.310 RESID 22 (T): N 119.542 119.542 115.080 4.462 RESID 22 (T): C 175.661 175.661 176.184 -0.523 RESID 22 (T): CA 66.401 66.401 65.832 0.570 RESID 22 (T): CB 68.866 68.866 68.593 0.273 RESID 22 (T): H 7.881 7.881 8.312 -0.431 RESID 23 (A): N 123.431 123.431 124.296 -0.865 RESID 23 (A): C 178.628 178.628 179.122 -0.494 RESID 23 (A): CA 55.480 55.480 54.925 0.555 RESID 23 (A): CB 18.218 18.218 18.075 0.143 RESID 23 (A): H 8.263 8.263 7.539 0.724 RESID 24 (A): N 119.939 119.939 121.268 -1.329 RESID 24 (A): C 179.172 179.172 178.968 0.204 RESID 24 (A): CA 55.038 55.038 55.212 -0.174 RESID 24 (A): CB 18.385 18.385 18.318 0.067 RESID 24 (A): H 7.827 7.827 8.388 -0.561 RESID 25 (C): N 116.736 116.736 117.577 -0.841 RESID 25 (C): C 176.220 176.220 176.667 -0.447 RESID 25 (C): CA 58.596 58.596 63.484 -4.888 RESID 25 (C): CB 41.771 41.771 27.850 13.921 RESID 25 (C): H 7.677 7.677 7.466 0.211 RESID 26 (I): N 119.154 119.154 119.767 -0.613 RESID 26 (I): C 176.915 176.915 177.636 -0.721 RESID 26 (I): CA 64.858 64.858 65.211 -0.353 RESID 26 (I): CB 38.090 38.090 37.799 0.291 RESID 26 (I): H 7.899 7.899 7.559 0.340 RESID 27 (A): N 121.116 121.116 121.887 -0.771 RESID 27 (A): C 179.016 179.016 178.994 0.022 RESID 27 (A): CA 55.367 55.367 55.045 0.322 RESID 27 (A): CB 18.385 18.385 18.484 -0.099 RESID 27 (A): H 7.909 7.909 7.894 0.015 RESID 28 (D): N 116.829 116.829 118.381 -1.552 RESID 28 (D): C 177.643 177.643 178.208 -0.565 RESID 28 (D): CA 56.453 56.453 56.873 -0.420 RESID 28 (D): CB 41.128 41.128 41.228 -0.100 RESID 28 (D): H 7.554 7.554 7.560 -0.006 RESID 29 (L): N 119.672 119.672 121.234 -1.562 RESID 29 (L): C 178.628 178.628 178.659 -0.031 RESID 29 (L): CA 57.144 57.144 58.373 -1.229 RESID 29 (L): CB 43.146 43.146 42.300 0.846 RESID 29 (L): H 7.732 7.732 7.456 0.276 RESID 30 (I): N 113.629 113.629 112.718 0.911 RESID 30 (I): C 176.456 176.456 176.985 -0.529 RESID 30 (I): CA 60.539 60.539 63.687 -3.148 RESID 30 (I): CB 38.506 38.506 37.718 0.789 RESID 30 (I): H 7.977 7.977 7.690 0.287 RESID 31 (T): N 113.314 113.314 116.066 -2.752 RESID 31 (T): C 174.045 174.045 175.582 -1.537 RESID 31 (T): CA 62.495 62.495 63.655 -1.160 RESID 31 (T): CB 69.898 69.898 69.663 0.235 RESID 31 (T): H 7.738 7.738 7.339 0.399 RESID 32 (F): N 123.409 123.409 123.454 -0.045 RESID 32 (F): CA 56.349 56.349 62.631 -6.282 RESID 32 (F): CB 39.148 39.148 37.306 1.842 RESID 32 (F): H 7.609 7.609 8.800 -1.191 RESID 33 (P): C 177.831 177.831 178.052 -0.221 RESID 33 (P): CA 62.656 62.656 65.059 -2.403 RESID 33 (P): CB 34.762 34.762 30.932 3.830 RESID 34 (L): N 124.503 124.503 118.308 6.195 RESID 34 (L): C 176.298 176.298 178.337 -2.039 RESID 34 (L): CA 55.545 55.545 57.126 -1.581 RESID 34 (L): CB 43.287 43.287 41.879 1.408 RESID 34 (L): H 8.659 8.659 7.162 1.497 RESID 35 (D): N 121.663 121.663 118.147 3.516 RESID 35 (D): C 177.152 177.152 177.856 -0.704 RESID 35 (D): CA 54.326 54.326 57.487 -3.161 RESID 35 (D): CB 41.154 41.154 40.889 0.265 RESID 35 (D): H 8.236 8.236 7.703 0.533 RESID 36 (T): N 115.977 115.977 112.746 3.231 RESID 36 (T): C 177.088 177.088 176.274 0.814 RESID 36 (T): CA 64.868 64.868 65.721 -0.853 RESID 36 (T): CB 69.053 69.053 68.308 0.745 RESID 36 (T): H 8.127 8.127 7.714 0.413 RESID 37 (A): N 125.063 125.063 123.330 1.733 RESID 37 (A): C 179.143 179.143 179.209 -0.066 RESID 37 (A): CA 55.234 55.234 54.895 0.339 RESID 37 (A): CB 18.735 18.735 18.259 0.476 RESID 37 (A): H 8.042 8.042 7.783 0.259 RESID 38 (K): N 117.827 117.827 118.786 -0.959 RESID 38 (K): C 178.239 178.239 179.121 -0.882 RESID 38 (K): CA 58.861 58.861 59.033 -0.172 RESID 38 (K): CB 32.724 32.724 31.932 0.792 RESID 38 (K): H 7.759 7.759 7.401 0.358 RESID 39 (V): N 118.955 118.955 120.940 -1.985 RESID 39 (V): C 177.892 177.892 177.386 0.506 RESID 39 (V): CA 65.478 65.478 64.726 0.752 RESID 39 (V): CB 34.675 34.675 31.416 3.259 RESID 39 (V): H 7.554 7.554 7.584 -0.030 RESID 40 (R): N 119.922 119.922 119.797 0.125 RESID 40 (R): C 178.391 178.391 178.850 -0.459 RESID 40 (R): CA 59.648 59.648 57.784 1.864 RESID 40 (R): CB 29.933 29.933 30.127 -0.194 RESID 40 (R): H 7.794 7.794 7.565 0.229 RESID 41 (L): N 118.720 118.720 116.222 2.498 RESID 41 (L): CA 54.749 54.749 55.787 -1.038 RESID 41 (L): CB 40.429 40.429 39.944 0.485 RESID 41 (L): H 7.534 7.534 7.771 -0.237 RESID 49 (G): C 174.779 174.779 175.038 -0.259 RESID 50 (L): N 123.029 123.029 122.592 0.437 RESID 50 (L): C 178.482 178.482 178.810 -0.328 RESID 50 (L): CA 56.765 56.765 57.188 -0.423 RESID 50 (L): CB 41.673 41.673 40.810 0.863 RESID 50 (L): H 8.113 8.113 8.294 -0.181 RESID 51 (V): N 118.714 118.714 114.680 4.034 RESID 51 (V): C 178.032 178.032 177.514 0.518 RESID 51 (V): CA 66.037 66.037 65.118 0.919 RESID 51 (V): CB 30.763 30.763 31.473 -0.710 RESID 51 (V): H 7.974 7.974 7.829 0.145 RESID 52 (R): N 121.569 121.569 118.184 3.385 RESID 52 (R): CA 59.167 59.167 58.743 0.424 RESID 52 (R): CB 29.437 29.437 29.676 -0.239 RESID 52 (R): H 8.231 8.231 8.141 0.090 RESID 53 (T): C 175.108 175.108 175.006 0.102 RESID 53 (T): H 7.948 7.948 7.577 0.371 RESID 54 (A): N 121.823 121.823 123.777 -1.954 RESID 54 (A): C 174.922 174.922 176.660 -1.738 RESID 54 (A): CA 50.101 50.101 52.059 -1.958 RESID 54 (A): CB 18.950 18.950 19.684 -0.734 RESID 54 (A): H 7.792 7.792 7.586 0.206 RESID 55 (A): N 113.986 113.986 117.706 -3.720 RESID 55 (A): C 178.007 178.007 176.614 1.393 RESID 55 (A): CA 53.458 53.458 52.230 1.228 RESID 55 (A): CB 18.809 18.809 18.846 -0.037 RESID 55 (A): H 7.333 7.333 8.316 -0.983 RESID 56 (S): N 125.425 125.425 115.291 10.134 RESID 56 (S): C 174.899 174.899 174.004 0.895 RESID 56 (S): CA 59.520 59.520 57.336 2.184 RESID 56 (S): CB 64.051 64.051 64.621 -0.570 RESID 56 (S): H 7.786 7.786 7.790 -0.004 RESID 57 (A): N 118.183 118.183 121.865 -3.682 RESID 57 (A): CA 53.783 53.783 52.763 1.020 RESID 57 (A): CB 17.599 17.599 17.923 -0.324 RESID 57 (A): H 8.018 8.018 7.944 0.074 RESID 59 (Y): C 177.662 177.662 176.027 1.635 RESID 60 (R): N 122.798 122.798 122.237 0.561 RESID 60 (R): C 177.956 177.956 177.030 0.926 RESID 60 (R): CA 58.711 58.711 57.578 1.133 RESID 60 (R): CB 30.659 30.659 30.159 0.500 RESID 60 (R): H 8.311 8.311 8.544 -0.233 RESID 61 (G): N 109.033 109.033 107.087 1.946 RESID 61 (G): C 176.064 176.064 175.671 0.393 RESID 61 (G): CA 46.592 46.592 45.366 1.226 RESID 61 (G): H 8.182 8.182 8.141 0.041 RESID 62 (V): N 123.218 123.218 123.370 -0.152 RESID 62 (V): C 177.540 177.540 177.274 0.266 RESID 62 (V): CA 66.277 66.277 64.290 1.987 RESID 62 (V): CB 32.355 32.355 31.917 0.438 RESID 62 (V): H 8.105 8.105 8.368 -0.263 RESID 63 (L): N 120.295 120.295 120.319 -0.024 RESID 63 (L): C 178.628 178.628 179.529 -0.901 RESID 63 (L): CA 58.366 58.366 57.529 0.837 RESID 63 (L): CB 41.675 41.675 40.158 1.517 RESID 63 (L): H 8.182 8.182 8.371 -0.189 RESID 64 (G): N 106.013 106.013 106.290 -0.277 RESID 64 (G): C 176.531 176.531 176.362 0.169 RESID 64 (G): CA 47.765 47.765 47.134 0.631 RESID 64 (G): H 8.102 8.102 7.671 0.431 RESID 65 (T): N 120.842 120.842 119.151 1.691 RESID 65 (T): C 176.453 176.453 176.747 -0.294 RESID 65 (T): CA 67.140 67.140 66.329 0.811 RESID 65 (T): CB 69.161 69.161 68.769 0.392 RESID 65 (T): H 7.854 7.854 7.516 0.338 RESID 66 (I): N 122.676 122.676 119.632 3.044 RESID 66 (I): C 177.307 177.307 177.469 -0.162 RESID 66 (I): CA 65.832 65.832 64.489 1.343 RESID 66 (I): CB 38.090 38.090 37.384 0.706 RESID 66 (I): H 8.018 8.018 7.478 0.540 RESID 67 (L): N 119.838 119.838 120.217 -0.379 RESID 67 (L): C 178.706 178.706 178.895 -0.189 RESID 67 (L): CA 58.491 58.491 57.989 0.502 RESID 67 (L): CB 41.387 41.387 40.584 0.803 RESID 67 (L): H 8.291 8.291 7.643 0.648 RESID 68 (T): N 115.362 115.362 115.144 0.218 RESID 68 (T): C 176.764 176.764 176.767 -0.003 RESID 68 (T): CA 67.040 67.040 66.349 0.691 RESID 68 (T): CB 69.403 69.403 68.709 0.694 RESID 68 (T): H 7.963 7.963 7.242 0.721 RESID 69 (M): N 122.960 122.960 121.069 1.891 RESID 69 (M): C 177.153 177.153 177.470 -0.317 RESID 69 (M): CA 59.710 59.710 58.329 1.381 RESID 69 (M): CB 33.111 33.111 32.221 0.890 RESID 69 (M): H 7.977 7.977 7.640 0.337 RESID 70 (V): N 119.558 119.558 117.544 2.014 RESID 70 (V): C 176.841 176.841 177.590 -0.749 RESID 70 (V): CA 66.277 66.277 65.963 0.314 RESID 70 (V): CB 31.362 31.362 31.332 0.030 RESID 70 (V): H 7.751 7.751 7.406 0.345 RESID 71 (R): N 118.002 118.002 118.370 -0.368 RESID 71 (R): C 177.152 177.152 177.951 -0.799 RESID 71 (R): CA 58.761 58.761 58.457 0.304 RESID 71 (R): CB 30.656 30.656 30.139 0.517 RESID 71 (R): H 7.827 7.827 7.450 0.377 RESID 72 (T): N 111.410 111.410 115.145 -3.735 RESID 72 (T): C 175.288 175.288 175.679 -0.391 RESID 72 (T): CA 64.194 64.194 65.501 -1.306 RESID 72 (T): CB 70.312 70.312 68.953 1.359 RESID 72 (T): H 7.745 7.745 7.671 0.074 RESID 73 (E): N 120.577 120.577 119.274 1.303 RESID 73 (E): C 177.696 177.696 176.546 1.150 RESID 73 (E): CA 57.363 57.363 56.628 0.735 RESID 73 (E): CB 30.927 30.927 31.780 -0.853 RESID 73 (E): H 8.263 8.263 7.982 0.281 RESID 74 (G): N 108.209 108.209 107.063 1.146 RESID 74 (G): CA 45.593 45.593 44.886 0.706 RESID 74 (G): H 7.841 7.841 7.461 0.380 RESID 75 (P): C 177.152 177.152 178.442 -1.290 RESID 75 (P): CA 65.652 65.652 64.441 1.211 RESID 75 (P): CB 32.294 32.294 32.370 -0.076 RESID 76 (R): N 118.553 118.553 117.468 1.085 RESID 76 (R): C 177.696 177.696 178.032 -0.336 RESID 76 (R): CA 59.785 59.785 58.196 1.589 RESID 76 (R): CB 29.671 29.671 29.555 0.115 RESID 76 (R): H 8.427 8.427 8.577 -0.150 RESID 77 (S): N 115.323 115.323 114.452 0.871 RESID 77 (S): C 177.230 177.230 175.796 1.434 RESID 77 (S): CA 61.318 61.318 60.726 0.592 RESID 77 (S): CB 63.281 63.281 63.221 0.060 RESID 77 (S): H 7.963 7.963 8.002 -0.039 RESID 78 (L): N 122.598 122.598 119.432 3.166 RESID 78 (L): C 177.696 177.696 178.168 -0.472 RESID 78 (L): CA 57.792 57.792 56.965 0.827 RESID 78 (L): CB 42.202 42.202 41.967 0.235 RESID 78 (L): H 7.595 7.595 7.452 0.143 RESID 79 (Y): N 119.276 119.276 113.095 6.181 RESID 79 (Y): C 176.142 176.142 176.350 -0.208 RESID 79 (Y): CA 60.792 60.792 58.530 2.262 RESID 79 (Y): CB 38.687 38.687 38.247 0.440 RESID 79 (Y): H 7.868 7.868 7.375 0.493 RESID 80 (N): N 117.249 117.249 118.533 -1.284 RESID 80 (N): C 178.472 178.472 175.369 3.103 RESID 80 (N): CA 53.024 53.024 53.188 -0.164 RESID 80 (N): CB 37.946 37.946 37.655 0.291 RESID 80 (N): H 8.374 8.374 7.559 0.815 RESID 81 (G): N 108.575 108.575 105.795 2.780 RESID 81 (G): C 175.521 175.521 174.697 0.824 RESID 81 (G): CA 46.266 46.266 45.393 0.873 RESID 81 (G): H 8.086 8.086 7.735 0.351 RESID 82 (L): N 124.326 124.326 123.173 1.153 RESID 82 (L): C 178.239 178.239 177.903 0.336 RESID 82 (L): CA 58.217 58.217 57.484 0.733 RESID 82 (L): CB 42.351 42.351 42.262 0.089 RESID 82 (L): H 7.991 7.991 7.783 0.208 RESID 83 (V): N 117.727 117.727 115.047 2.680 RESID 83 (V): C 177.851 177.851 177.189 0.662 RESID 83 (V): CA 64.113 64.113 65.098 -0.985 RESID 83 (V): CB 31.924 31.924 30.796 1.128 RESID 83 (V): H 8.004 8.004 7.977 0.027 RESID 84 (A): N 121.414 121.414 122.356 -0.942 RESID 84 (A): C 180.570 180.570 179.577 0.993 RESID 84 (A): CA 55.031 55.031 54.656 0.375 RESID 84 (A): CB 18.286 18.286 18.114 0.172 RESID 84 (A): H 7.677 7.677 7.339 0.338 RESID 85 (G): N 106.471 106.471 107.448 -0.977 RESID 85 (G): C 175.521 175.521 176.056 -0.535 RESID 85 (G): CA 47.191 47.191 46.676 0.515 RESID 85 (G): H 7.963 7.963 7.561 0.402 RESID 86 (L): N 122.326 122.326 122.024 0.302 RESID 86 (L): C 178.239 178.239 178.797 -0.558 RESID 86 (L): CA 57.493 57.493 57.523 -0.030 RESID 86 (L): CB 42.202 42.202 40.903 1.299 RESID 86 (L): H 8.100 8.100 7.391 0.709 RESID 87 (Q): N 117.736 117.736 117.988 -0.252 RESID 87 (Q): C 177.340 177.340 178.203 -0.863 RESID 87 (Q): CA 57.787 57.787 59.080 -1.293 RESID 87 (Q): CB 28.942 28.942 28.300 0.642 RESID 87 (Q): H 8.004 8.004 7.804 0.200 RESID 88 (R): N 118.107 118.107 119.243 -1.136 RESID 88 (R): C 177.930 177.930 178.956 -1.026 RESID 88 (R): CA 58.062 58.062 59.362 -1.300 RESID 88 (R): CB 30.774 30.774 29.763 1.011 RESID 88 (R): H 7.568 7.568 7.330 0.238 RESID 89 (Q): N 117.921 117.921 117.323 0.598 RESID 89 (Q): C 177.375 177.375 178.407 -1.032 RESID 89 (Q): CA 56.838 56.838 57.721 -0.883 RESID 89 (Q): CB 29.006 29.006 28.358 0.648 RESID 89 (Q): H 7.827 7.827 7.495 0.332 RESID 90 (M): N 118.378 118.378 120.336 -1.958 RESID 90 (M): C 176.365 176.365 178.236 -1.871 RESID 90 (M): CA 56.339 56.339 57.921 -1.582 RESID 90 (M): CB 33.444 33.444 32.373 1.071 RESID 90 (M): H 7.963 7.963 8.525 -0.562 RESID 91 (S): N 115.089 115.089 115.387 -0.298 RESID 91 (S): C 175.899 175.899 176.333 -0.434 RESID 91 (S): CA 58.621 58.621 61.744 -3.123 RESID 91 (S): CB 64.337 64.337 63.074 1.263 RESID 91 (S): H 7.868 7.868 7.794 0.074 RESID 92 (F): N 122.852 122.852 123.101 -0.249 RESID 92 (F): C 177.375 177.375 176.588 0.787 RESID 92 (F): CA 59.095 59.095 61.133 -2.038 RESID 92 (F): CB 38.937 38.937 39.003 -0.066 RESID 92 (F): H 8.332 8.332 7.530 0.802 RESID 93 (A): N 123.258 123.258 119.700 3.558 RESID 93 (A): C 178.628 178.628 178.688 -0.060 RESID 93 (A): CA 54.881 54.881 54.223 0.658 RESID 93 (A): CB 17.902 17.902 18.137 -0.235 RESID 93 (A): H 8.223 8.223 7.723 0.500 RESID 94 (S): N 112.886 112.886 115.584 -2.698 RESID 94 (S): C 176.831 176.831 176.998 -0.167 RESID 94 (S): CA 60.319 60.319 60.982 -0.663 RESID 94 (S): CB 63.611 63.611 63.519 0.092 RESID 94 (S): H 7.977 7.977 7.573 0.404 RESID 95 (V): N 121.854 121.854 118.136 3.718 RESID 95 (V): C 176.220 176.220 176.793 -0.573 RESID 95 (V): CA 64.629 64.629 65.100 -0.471 RESID 95 (V): CB 31.328 31.328 31.159 0.169 RESID 95 (V): H 7.581 7.581 8.084 -0.503 RESID 96 (R): N 121.329 121.329 118.943 2.386 RESID 96 (R): C 176.814 176.814 176.904 -0.090 RESID 96 (R): CA 58.636 58.636 57.688 0.948 RESID 96 (R): CB 30.672 30.672 29.291 1.381 RESID 96 (R): H 7.936 7.936 7.180 0.756 RESID 97 (I): N 119.194 119.194 117.555 1.639 RESID 97 (I): C 177.152 177.152 176.592 0.560 RESID 97 (I): CA 63.296 63.296 61.703 1.593 RESID 97 (I): CB 38.757 38.757 37.673 1.083 RESID 97 (I): H 7.802 7.802 7.428 0.374 RESID 98 (G): N 109.857 109.857 108.053 1.804 RESID 98 (G): C 176.064 176.064 174.636 1.428 RESID 98 (G): CA 46.941 46.941 46.104 0.837 RESID 98 (G): H 8.127 8.127 7.729 0.398 RESID 99 (L): N 123.258 123.258 122.945 0.313 RESID 99 (L): C 177.856 177.856 177.717 0.139 RESID 99 (L): CA 58.264 58.264 56.331 1.933 RESID 99 (L): CB 42.488 42.488 41.950 0.538 RESID 99 (L): H 8.223 8.223 8.196 0.027 RESID 100 (Y): N 119.770 119.770 119.421 0.349 RESID 100 (Y): C 176.997 176.997 176.960 0.037 RESID 100 (Y): CA 61.592 61.592 61.870 -0.278 RESID 100 (Y): CB 38.809 38.809 38.184 0.624 RESID 100 (Y): H 8.207 8.207 8.051 0.156 RESID 101 (D): N 118.460 118.460 117.331 1.129 RESID 101 (D): C 178.939 178.939 178.832 0.107 RESID 101 (D): CA 57.797 57.797 57.208 0.589 RESID 101 (D): CB 40.498 40.498 40.229 0.269 RESID 101 (D): H 8.401 8.401 8.637 -0.236 RESID 102 (S): N 116.022 116.022 116.291 -0.269 RESID 102 (S): C 176.005 176.005 176.464 -0.459 RESID 102 (S): CA 62.791 62.791 61.880 0.911 RESID 102 (S): CB 64.211 64.211 63.117 1.094 RESID 102 (S): H 7.854 7.854 7.769 0.085 RESID 103 (V): N 120.844 120.844 120.773 0.071 RESID 103 (V): C 177.307 177.307 177.491 -0.184 RESID 103 (V): CA 66.510 66.510 65.768 0.742 RESID 103 (V): CB 31.965 31.965 31.385 0.580 RESID 103 (V): H 7.926 7.926 7.700 0.226 RESID 104 (K): N 120.468 120.468 119.411 1.057 RESID 104 (K): C 178.861 178.861 179.113 -0.252 RESID 104 (K): CA 60.184 60.184 59.116 1.068 RESID 104 (K): CB 31.979 31.979 32.065 -0.086 RESID 104 (K): H 8.127 8.127 7.982 0.145 RESID 105 (Q): N 118.386 118.386 117.377 1.009 RESID 105 (Q): C 177.540 177.540 178.159 -0.619 RESID 105 (Q): CA 58.786 58.786 57.879 0.907 RESID 105 (Q): CB 28.377 28.377 28.783 -0.406 RESID 105 (Q): H 7.841 7.841 8.077 -0.236 RESID 106 (F): N 119.471 119.471 118.144 1.327 RESID 106 (F): C 176.531 176.531 175.813 0.718 RESID 106 (F): CA 60.593 60.593 60.872 -0.279 RESID 106 (F): CB 39.459 39.459 39.894 -0.435 RESID 106 (F): H 7.772 7.772 7.672 0.100 RESID 107 (Y): N 118.288 118.288 113.179 5.109 RESID 107 (Y): C 176.220 176.220 176.504 -0.284 RESID 107 (Y): CA 60.543 60.543 58.904 1.639 RESID 107 (Y): CB 38.819 38.819 40.089 -1.270 RESID 107 (Y): H 8.045 8.045 7.583 0.462 RESID 108 (T): N 113.383 113.383 112.844 0.539 RESID 108 (T): C 175.288 175.288 174.331 0.957 RESID 108 (T): CA 64.094 64.094 62.746 1.348 RESID 108 (T): CB 69.986 69.986 69.074 0.912 RESID 108 (T): H 7.868 7.868 7.580 0.288 RESID 113 (H): C 173.413 173.413 174.094 -0.681 RESID 113 (H): H 7.968 7.968 8.897 -0.929 RESID 114 (A): N 119.456 119.456 125.154 -5.698 RESID 114 (A): C 177.851 177.851 176.153 1.698 RESID 114 (A): CA 53.283 53.283 52.066 1.217 RESID 114 (A): CB 19.362 19.362 18.958 0.404 RESID 114 (A): H 8.433 8.433 8.134 0.299 RESID 115 (G): N 108.484 108.484 105.538 2.946 RESID 115 (G): C 174.822 174.822 175.005 -0.183 RESID 115 (G): CA 45.968 45.968 44.967 1.001 RESID 115 (G): H 8.250 8.250 8.076 0.174 RESID 116 (I): N 121.139 121.139 121.723 -0.584 RESID 116 (I): C 176.841 176.841 177.838 -0.997 RESID 116 (I): CA 63.160 63.160 63.166 -0.006 RESID 116 (I): CB 38.853 38.853 37.287 1.566 RESID 116 (I): H 8.127 8.127 8.100 0.027 RESID 117 (G): N 110.863 110.863 107.214 3.649 RESID 117 (G): C 174.588 174.588 176.477 -1.889 RESID 117 (G): CA 46.791 46.791 47.324 -0.533 RESID 117 (G): H 8.509 8.509 8.335 0.174 RESID 118 (S): N 116.069 116.069 117.398 -1.329 RESID 118 (S): C 175.754 175.754 176.320 -0.566 RESID 118 (S): CA 60.319 60.319 61.568 -1.249 RESID 118 (S): CB 63.864 63.864 62.924 0.940 RESID 118 (S): H 7.991 7.991 7.985 0.006 RESID 119 (R): N 122.134 122.134 121.945 0.189 RESID 119 (R): C 178.228 178.228 178.299 -0.071 RESID 119 (R): CA 57.787 57.787 59.329 -1.542 RESID 119 (R): CB 30.549 30.549 29.942 0.607 RESID 119 (R): H 7.963 7.963 8.217 -0.254 RESID 120 (L): N 120.403 120.403 120.393 0.010 RESID 120 (L): C 177.230 177.230 179.109 -1.879 RESID 120 (L): CA 57.967 57.967 58.088 -0.121 RESID 120 (L): CB 42.146 42.146 41.225 0.921 RESID 120 (L): H 7.914 7.914 7.572 0.342 RESID 121 (L): N 118.960 118.960 119.717 -0.757 RESID 121 (L): C 177.152 177.152 179.180 -2.028 RESID 121 (L): CA 55.495 55.495 58.288 -2.792 RESID 121 (L): CB 42.238 42.238 41.251 0.987 RESID 121 (L): H 7.718 7.718 8.339 -0.621 RESID 122 (A): N 123.063 123.063 121.333 1.730 RESID 122 (A): C 178.317 178.317 179.771 -1.454 RESID 122 (A): CA 53.358 53.358 55.471 -2.114 RESID 122 (A): CB 19.218 19.218 17.955 1.263 RESID 122 (A): H 7.745 7.745 8.786 -1.041 RESID 123 (G): N 107.843 107.843 106.300 1.543 RESID 123 (G): C 176.912 176.912 176.423 0.489 RESID 123 (G): CA 45.943 45.943 46.698 -0.755 RESID 123 (G): H 8.113 8.113 8.501 -0.388 RESID 124 (S): N 116.105 116.105 118.152 -2.047 RESID 124 (S): C 175.574 175.574 176.827 -1.253 RESID 124 (S): CA 59.145 59.145 61.679 -2.534 RESID 124 (S): CB 64.211 64.211 63.270 0.941 RESID 124 (S): H 8.109 8.109 8.400 -0.291 RESID 125 (T): N 116.069 116.069 118.375 -2.306 RESID 125 (T): C 176.055 176.055 176.595 -0.540 RESID 125 (T): CA 66.921 66.921 66.376 0.545 RESID 125 (T): CB 69.682 69.682 68.788 0.894 RESID 125 (T): H 8.086 8.086 8.162 -0.076 RESID 126 (T): N 115.439 115.439 117.438 -1.999 RESID 126 (T): C 177.443 177.443 176.546 0.897 RESID 126 (T): CA 65.285 65.285 66.361 -1.076 RESID 126 (T): CB 68.364 68.364 68.304 0.060 RESID 126 (T): H 7.977 7.977 8.325 -0.348 RESID 127 (G): N 115.453 115.453 108.113 7.340 RESID 127 (G): C 174.215 174.215 175.152 -0.937 RESID 127 (G): CA 46.117 46.117 46.841 -0.724 RESID 127 (G): H 8.168 8.168 7.937 0.231 RESID 128 (A): N 123.952 123.952 124.203 -0.251 RESID 128 (A): C 178.162 178.162 179.119 -0.957 RESID 128 (A): CA 53.349 53.349 54.816 -1.467 RESID 128 (A): CB 19.099 19.099 18.511 0.588 RESID 128 (A): H 7.919 7.919 7.423 0.496 RESID 129 (L): N 120.025 120.025 119.169 0.856 RESID 129 (L): C 177.949 177.949 178.809 -0.860 RESID 129 (L): CA 56.019 56.019 57.036 -1.017 RESID 129 (L): CB 42.340 42.340 40.829 1.511 RESID 129 (L): H 7.936 7.936 7.456 0.480 RESID 130 (A): N 123.402 123.402 121.555 1.847 RESID 130 (A): C 177.929 177.929 179.647 -1.718 RESID 130 (A): CA 53.283 53.283 54.919 -1.636 RESID 130 (A): CB 18.964 18.964 18.278 0.686 RESID 130 (A): H 7.868 7.868 8.002 -0.134 RESID 131 (V): N 118.111 118.111 117.382 0.729 RESID 131 (V): C 176.025 176.025 177.843 -1.818 RESID 131 (V): CA 63.180 63.180 65.502 -2.322 RESID 131 (V): CB 32.898 32.898 30.620 2.278 RESID 131 (V): H 7.636 7.636 7.902 -0.266 RESID 132 (A): N 124.047 124.047 121.912 2.135 RESID 132 (A): C 179.008 179.008 178.964 0.044 RESID 132 (A): CA 53.707 53.707 54.700 -0.993 RESID 132 (A): CB 19.150 19.150 18.833 0.317 RESID 132 (A): H 7.911 7.911 7.571 0.340 RESID 133 (V): N 113.349 113.349 118.159 -4.810 RESID 133 (V): C 175.527 175.527 176.402 -0.875 RESID 133 (V): CA 64.115 64.115 64.250 -0.135 RESID 133 (V): CB 31.832 31.832 32.483 -0.650 RESID 133 (V): H 7.094 7.094 7.460 -0.366 RESID 134 (A): N 123.224 123.224 120.368 2.856 RESID 134 (A): CA 55.493 55.493 51.665 3.828 RESID 134 (A): H 7.586 7.586 7.504 0.082 RESID 136 (P): C 177.074 177.074 178.517 -1.443 RESID 137 (T): N 113.281 113.281 108.800 4.481 RESID 137 (T): C 174.485 174.485 175.973 -1.488 RESID 137 (T): CA 64.496 64.496 65.708 -1.212 RESID 137 (T): CB 69.997 69.997 68.130 1.867 RESID 137 (T): H 7.963 7.963 8.426 -0.463 RESID 138 (D): N 122.770 122.770 122.570 0.200 RESID 138 (D): C 178.458 178.458 178.583 -0.125 RESID 138 (D): CA 56.776 56.776 57.169 -0.393 RESID 138 (D): CB 41.023 41.023 40.342 0.681 RESID 138 (D): H 8.094 8.094 7.734 0.360 RESID 139 (V): N 119.931 119.931 117.846 2.085 RESID 139 (V): C 177.502 177.502 177.814 -0.312 RESID 139 (V): CA 66.455 66.455 65.893 0.562 RESID 139 (V): CB 32.804 32.804 31.283 1.521 RESID 139 (V): H 7.753 7.753 7.570 0.183 RESID 140 (V): N 120.539 120.539 121.106 -0.567 RESID 140 (V): C 176.232 176.232 178.361 -2.129 RESID 140 (V): CA 66.770 66.770 66.695 0.075 RESID 140 (V): CB 32.086 32.086 30.837 1.249 RESID 140 (V): H 8.295 8.295 7.709 0.586 RESID 141 (K): N 120.122 120.122 119.274 0.848 RESID 141 (K): C 176.120 176.120 179.003 -2.883 RESID 141 (K): CA 55.991 55.991 60.218 -4.228 RESID 141 (K): CB 31.712 31.712 32.233 -0.521 RESID 141 (K): H 7.698 7.698 7.701 -0.003 RESID 142 (V): N 120.104 120.104 119.710 0.394 RESID 142 (V): CA 63.230 63.230 65.567 -2.337 RESID 142 (V): H 7.772 7.772 7.450 0.322 RESID 143 (R): C 178.401 178.401 178.567 -0.166 RESID 143 (R): H 7.999 7.999 7.674 0.325 RESID 144 (F): N 120.445 120.445 119.187 1.258 RESID 144 (F): C 177.856 177.856 176.696 1.160 RESID 144 (F): CA 61.438 61.438 60.794 0.644 RESID 144 (F): H 8.395 8.395 8.570 -0.175 RESID 145 (Q): N 124.180 124.180 117.963 6.217 RESID 145 (Q): C 174.844 174.844 177.403 -2.559 RESID 145 (Q): CA 56.414 56.414 58.174 -1.760 RESID 145 (Q): CB 30.721 30.721 29.107 1.614 RESID 145 (Q): H 8.094 8.094 7.832 0.262 RESID 146 (A): N 120.452 120.452 120.318 0.134 RESID 146 (A): C 177.929 177.929 177.568 0.361 RESID 146 (A): CA 53.483 53.483 53.294 0.190 RESID 146 (A): CB 18.431 18.431 18.899 -0.468 RESID 146 (A): H 7.939 7.939 7.408 0.531 RESID 147 (Q): N 119.388 119.388 118.371 1.017 RESID 147 (Q): C 176.029 176.029 174.896 1.133 RESID 147 (Q): CA 56.339 56.339 56.169 0.170 RESID 147 (Q): CB 29.444 29.444 28.504 0.940 RESID 147 (Q): H 8.072 8.072 7.505 0.567 RESID 148 (A): N 125.199 125.199 128.838 -3.639 RESID 148 (A): C 177.766 177.766 177.720 0.046 RESID 148 (A): CA 53.108 53.108 52.475 0.633 RESID 148 (A): CB 19.151 19.151 19.562 -0.411 RESID 148 (A): H 8.055 8.055 8.292 -0.237 RESID 149 (R): N 120.208 120.208 119.634 0.574 RESID 149 (R): CA 56.414 56.414 55.282 1.132 RESID 149 (R): CB 30.749 30.749 31.125 -0.376 RESID 149 (R): H 8.018 8.018 8.052 -0.034 RESID 159 (T): C 175.928 175.928 176.629 -0.701 RESID 160 (V): N 118.321 118.321 120.517 -2.196 RESID 160 (V): C 177.749 177.749 176.995 0.754 RESID 160 (V): CA 64.126 64.126 65.397 -1.271 RESID 160 (V): CB 31.343 31.343 31.675 -0.332 RESID 160 (V): H 8.073 8.073 7.972 0.101 RESID 161 (E): N 122.379 122.379 119.886 2.493 RESID 161 (E): C 178.783 178.783 178.567 0.216 RESID 161 (E): CA 59.550 59.550 59.330 0.220 RESID 161 (E): CB 29.597 29.597 29.691 -0.094 RESID 161 (E): H 8.204 8.204 7.640 0.564 RESID 162 (A): N 122.845 122.845 121.983 0.862 RESID 162 (A): C 179.948 179.948 179.539 0.409 RESID 162 (A): CA 55.181 55.181 55.149 0.032 RESID 162 (A): CB 18.154 18.154 18.191 -0.037 RESID 162 (A): H 7.786 7.786 8.622 -0.836 RESID 163 (Y): N 118.902 118.902 119.807 -0.905 RESID 163 (Y): C 177.273 177.273 177.518 -0.245 RESID 163 (Y): CA 61.068 61.068 61.806 -0.738 RESID 163 (Y): CB 37.898 37.898 38.845 -0.947 RESID 163 (Y): H 7.922 7.922 7.973 -0.051 RESID 164 (K): N 119.939 119.939 117.686 2.253 RESID 164 (K): C 178.239 178.239 178.961 -0.722 RESID 164 (K): CA 60.309 60.309 59.411 0.898 RESID 164 (K): CB 32.504 32.504 32.152 0.352 RESID 164 (K): H 8.223 8.223 7.670 0.553 RESID 165 (T): N 115.262 115.262 117.223 -1.961 RESID 165 (T): C 175.676 175.676 176.555 -0.879 RESID 165 (T): CA 66.516 66.516 66.880 -0.364 RESID 165 (T): CB 69.367 69.367 68.539 0.828 RESID 165 (T): H 7.745 7.745 8.061 -0.316 RESID 166 (I): N 121.571 121.571 120.869 0.702 RESID 166 (I): C 177.307 177.307 176.907 0.400 RESID 166 (I): CA 64.634 64.634 62.172 2.462 RESID 166 (I): CB 38.896 38.896 37.019 1.877 RESID 166 (I): H 7.540 7.540 7.413 0.127 RESID 167 (A): N 121.983 121.983 122.502 -0.519 RESID 167 (A): C 178.395 178.395 180.218 -1.823 RESID 167 (A): CA 54.656 54.656 54.644 0.012 RESID 167 (A): CB 18.486 18.486 18.023 0.463 RESID 167 (A): H 8.059 8.059 7.606 0.453 RESID 168 (R): N 116.369 116.369 119.411 -3.042 RESID 168 (R): C 177.307 177.307 178.289 -0.982 RESID 168 (R): CA 58.486 58.486 58.921 -0.435 RESID 168 (R): CB 30.930 30.930 30.064 0.866 RESID 168 (R): H 7.690 7.690 7.729 -0.039 RESID 169 (E): N 118.667 118.667 117.727 0.940 RESID 169 (E): C 177.696 177.696 177.861 -0.165 RESID 169 (E): CA 58.212 58.212 58.270 -0.058 RESID 169 (E): CB 30.357 30.357 29.900 0.457 RESID 169 (E): H 8.045 8.045 7.666 0.379 RESID 170 (E): N 118.202 118.202 117.599 0.603 RESID 170 (E): C 177.878 177.878 176.745 1.133 RESID 170 (E): CA 57.363 57.363 56.636 0.727 RESID 170 (E): CB 31.277 31.277 31.067 0.210 RESID 170 (E): H 8.550 8.550 8.146 0.404 RESID 171 (G): N 108.941 108.941 106.960 1.981 RESID 171 (G): C 174.433 174.433 175.045 -0.612 RESID 171 (G): CA 45.193 45.193 44.493 0.700 RESID 171 (G): H 7.881 7.881 7.595 0.286 RESID 172 (I): N 120.842 120.842 116.489 4.353 RESID 172 (I): C 176.997 176.997 177.171 -0.174 RESID 172 (I): CA 63.810 63.810 63.652 0.158 RESID 172 (I): CB 38.516 38.516 37.691 0.825 RESID 172 (I): H 8.550 8.550 8.198 0.352 RESID 173 (R): N 119.480 119.480 121.268 -1.788 RESID 173 (R): C 178.084 178.084 178.605 -0.521 RESID 173 (R): CA 58.711 58.711 59.060 -0.349 RESID 173 (R): CB 29.796 29.796 29.296 0.500 RESID 173 (R): H 8.277 8.277 8.289 -0.012 RESID 174 (G): N 106.379 106.379 105.945 0.434 RESID 174 (G): C 175.210 175.210 176.460 -1.250 RESID 174 (G): CA 46.767 46.767 46.628 0.139 RESID 174 (G): H 7.690 7.690 8.039 -0.349 RESID 175 (L): N 120.664 120.664 121.681 -1.017 RESID 175 (L): C 177.971 177.971 179.399 -1.428 RESID 175 (L): CA 57.104 57.104 57.230 -0.126 RESID 175 (L): CB 42.559 42.559 42.294 0.265 RESID 175 (L): H 7.554 7.554 7.229 0.325 RESID 176 (W): N 117.031 117.031 118.221 -1.190 RESID 176 (W): C 176.987 176.987 178.569 -1.582 RESID 176 (W): CA 57.672 57.672 57.280 0.392 RESID 176 (W): CB 29.796 29.796 28.493 1.303 RESID 176 (W): H 7.499 7.499 8.274 -0.775 RESID 177 (K): N 120.567 120.567 121.507 -0.940 RESID 177 (K): C 177.152 177.152 178.651 -1.499 RESID 177 (K): CA 57.712 57.712 59.870 -2.158 RESID 177 (K): CB 32.890 32.890 32.071 0.819 RESID 177 (K): H 7.595 7.595 7.523 0.072 RESID 178 (G): N 108.667 108.667 104.479 4.188 RESID 178 (G): C 174.045 174.045 175.481 -1.436 RESID 178 (G): CA 45.893 45.893 45.848 0.045 RESID 178 (G): H 7.881 7.881 8.280 -0.399 RESID 179 (T): N 115.080 115.080 119.287 -4.207 RESID 179 (T): C 175.192 175.192 176.496 -1.304 RESID 179 (T): CA 66.521 66.521 67.297 -0.776 RESID 179 (T): CB 70.079 70.079 68.441 1.638 RESID 179 (T): H 7.622 7.622 8.090 -0.468 RESID 180 (S): N 117.754 117.754 116.472 1.282 RESID 180 (S): CA 63.123 63.123 62.965 0.158 RESID 180 (S): CB 62.045 62.045 62.049 -0.004 RESID 180 (S): H 8.195 8.195 8.002 0.193 RESID 182 (N): C 177.348 177.348 177.473 -0.125 RESID 183 (V): N 118.118 118.118 121.212 -3.094 RESID 183 (V): C 176.944 176.944 177.489 -0.545 RESID 183 (V): CA 65.244 65.244 66.326 -1.082 RESID 183 (V): CB 32.508 32.508 31.667 0.841 RESID 183 (V): H 7.861 7.861 7.621 0.240 RESID 184 (A): N 122.284 122.284 121.818 0.466 RESID 184 (A): C 178.317 178.317 179.499 -1.182 RESID 184 (A): CA 55.339 55.339 55.322 0.017 RESID 184 (A): CB 28.230 28.230 18.139 10.091 RESID 184 (A): H 8.097 8.097 7.949 0.148 RESID 185 (R): N 117.321 117.321 118.548 -1.227 RESID 185 (R): C 177.527 177.527 178.609 -1.082 RESID 185 (R): CA 59.543 59.543 59.496 0.047 RESID 185 (R): CB 29.767 29.767 29.871 -0.104 RESID 185 (R): H 7.611 7.611 8.238 -0.627 RESID 186 (N): N 117.294 117.294 117.880 -0.586 RESID 186 (N): C 176.599 176.599 177.115 -0.516 RESID 186 (N): CA 56.659 56.659 56.249 0.410 RESID 186 (N): CB 39.454 39.454 38.208 1.246 RESID 186 (N): H 8.048 8.048 7.720 0.328 RESID 187 (A): N 121.003 121.003 122.708 -1.705 RESID 187 (A): C 178.713 178.713 179.871 -1.158 RESID 187 (A): CA 55.520 55.520 55.048 0.472 RESID 187 (A): CB 18.097 18.097 18.731 -0.634 RESID 187 (A): H 7.322 7.322 7.688 -0.366 RESID 188 (I): N 119.319 119.319 119.492 -0.173 RESID 188 (I): C 176.634 176.634 177.876 -1.242 RESID 188 (I): CA 64.225 64.225 64.742 -0.517 RESID 188 (I): CB 37.658 37.658 37.844 -0.186 RESID 188 (I): H 7.779 7.779 8.446 -0.667 RESID 189 (V): N 117.265 117.265 119.120 -1.855 RESID 189 (V): C 177.529 177.529 177.637 -0.108 RESID 189 (V): CA 65.562 65.562 66.902 -1.340 RESID 189 (V): CB 31.407 31.407 30.848 0.559 RESID 189 (V): H 7.776 7.776 7.851 -0.075 RESID 190 (N): N 118.736 118.736 118.454 0.282 RESID 190 (N): C 176.476 176.476 177.560 -1.084 RESID 190 (N): CA 56.813 56.813 57.249 -0.437 RESID 190 (N): CB 38.268 38.268 38.324 -0.056 RESID 190 (N): H 7.800 7.800 7.706 0.094 RESID 191 (C): N 120.152 120.152 120.099 0.053 RESID 191 (C): C 175.831 175.831 176.543 -0.712 RESID 191 (C): CA 60.293 60.293 62.782 -2.490 RESID 191 (C): CB 41.566 41.566 26.615 14.951 RESID 191 (C): H 7.784 7.784 7.984 -0.200 RESID 192 (A): N 121.963 121.963 122.380 -0.417 RESID 192 (A): C 178.395 178.395 179.405 -1.010 RESID 192 (A): CA 55.280 55.280 55.206 0.074 RESID 192 (A): CB 18.008 18.008 17.992 0.016 RESID 192 (A): H 8.141 8.141 8.859 -0.718 RESID 193 (E): N 114.548 114.548 120.170 -5.622 RESID 193 (E): C 176.764 176.764 178.821 -2.057 RESID 193 (E): CA 58.262 58.262 59.337 -1.075 RESID 193 (E): CB 29.342 29.342 29.704 -0.362 RESID 193 (E): H 7.595 7.595 8.467 -0.872 RESID 194 (L): N 117.659 117.659 120.565 -2.906 RESID 194 (L): C 176.904 176.904 179.415 -2.511 RESID 194 (L): CA 55.695 55.695 57.794 -2.099 RESID 194 (L): CB 41.655 41.655 41.391 0.264 RESID 194 (L): H 7.459 7.459 7.950 -0.491 RESID 195 (V): N 117.842 117.842 118.387 -0.545 RESID 195 (V): C 177.150 177.150 178.370 -1.220 RESID 195 (V): CA 64.054 64.054 66.975 -2.921 RESID 195 (V): CB 31.079 31.079 31.163 -0.083 RESID 195 (V): H 7.363 7.363 7.545 -0.182 RESID 196 (T): N 122.439 122.439 115.343 7.096 RESID 196 (T): C 175.055 175.055 176.581 -1.526 RESID 196 (T): CA 65.500 65.500 66.374 -0.874 RESID 196 (T): CB 69.490 69.490 68.927 0.562 RESID 196 (T): H 7.940 7.940 7.640 0.300 RESID 197 (Y): N 122.430 122.430 122.010 0.420 RESID 197 (Y): C 177.152 177.152 177.166 -0.014 RESID 197 (Y): CA 61.892 61.892 61.696 0.196 RESID 197 (Y): CB 38.085 38.085 38.537 -0.452 RESID 197 (Y): H 9.123 9.123 8.617 0.506 RESID 198 (D): N 117.750 117.750 119.427 -1.677 RESID 198 (D): C 177.696 177.696 178.355 -0.659 RESID 198 (D): CA 57.822 57.822 57.733 0.089 RESID 198 (D): CB 40.500 40.500 40.603 -0.103 RESID 198 (D): H 8.263 8.263 8.112 0.151 RESID 199 (L): N 120.698 120.698 117.960 2.738 RESID 199 (L): C 180.104 180.104 179.271 0.833 RESID 199 (L): CA 58.092 58.092 57.279 0.813 RESID 199 (L): CB 42.559 42.559 41.837 0.722 RESID 199 (L): H 7.636 7.636 7.352 0.284 RESID 200 (I): N 121.136 121.136 118.488 2.648 RESID 200 (I): C 176.919 176.919 178.353 -1.434 RESID 200 (I): CA 65.482 65.482 64.618 0.864 RESID 200 (I): CB 37.949 37.949 37.477 0.471 RESID 200 (I): H 7.718 7.718 7.454 0.264 RESID 201 (K): N 120.587 120.587 120.045 0.542 RESID 201 (K): C 177.696 177.696 178.142 -0.446 RESID 201 (K): CA 60.683 60.683 59.459 1.224 RESID 201 (K): CB 31.809 31.809 31.893 -0.084 RESID 201 (K): H 8.291 8.291 7.941 0.350 RESID 202 (D): N 117.936 117.936 117.658 0.278 RESID 202 (D): C 178.395 178.395 177.068 1.327 RESID 202 (D): CA 57.672 57.672 56.018 1.654 RESID 202 (D): CB 41.355 41.355 40.795 0.560 RESID 202 (D): H 8.182 8.182 7.691 0.491 RESID 203 (T): N 115.914 115.914 114.302 1.612 RESID 203 (T): CA 61.190 61.190 62.310 -1.120 RESID 203 (T): CB 68.738 68.738 69.663 -0.925 RESID 203 (T): H 7.690 7.690 7.500 0.190 RESID 204 (L): C 176.047 176.047 176.559 -0.512 RESID 204 (L): H 8.051 8.051 8.785 -0.734 RESID 205 (L): N 118.768 118.768 114.716 4.052 RESID 205 (L): C 179.871 179.871 177.325 2.546 RESID 205 (L): CA 55.867 55.867 54.093 1.774 RESID 205 (L): CB 41.887 41.887 41.451 0.436 RESID 205 (L): H 7.977 7.977 7.981 -0.004 RESID 206 (K): N 119.775 119.775 121.046 -1.271 RESID 206 (K): C 177.318 177.318 176.869 0.449 RESID 206 (K): CA 58.461 58.461 58.292 0.169 RESID 206 (K): CB 32.734 32.734 32.365 0.369 RESID 206 (K): H 7.677 7.677 8.469 -0.792 RESID 207 (A): N 120.757 120.757 119.764 0.993 RESID 207 (A): C 176.531 176.531 176.041 0.490 RESID 207 (A): CA 53.083 53.083 51.881 1.202 RESID 207 (A): CB 18.960 18.960 19.192 -0.232 RESID 207 (A): H 7.565 7.565 7.973 -0.408 RESID 208 (N): N 115.463 115.463 116.792 -1.329 RESID 208 (N): C 174.822 174.822 173.831 0.991 RESID 208 (N): CA 54.351 54.351 53.909 0.442 RESID 208 (N): CB 38.160 38.160 37.754 0.406 RESID 208 (N): H 7.936 7.936 8.108 -0.172 RESID 212 (D): C 174.735 174.735 174.722 0.013 RESID 213 (D): N 116.363 116.363 120.183 -3.820 RESID 213 (D): C 175.553 175.553 177.034 -1.481 RESID 213 (D): CA 54.890 54.890 55.115 -0.225 RESID 213 (D): CB 38.846 38.846 39.236 -0.390 RESID 213 (D): H 8.129 8.129 8.600 -0.471 RESID 214 (L): N 119.486 119.486 119.857 -0.371 RESID 214 (L): CA 59.766 59.766 59.718 0.048 RESID 214 (L): CB 39.579 39.579 41.180 -1.601 RESID 214 (L): H 7.821 7.821 8.095 -0.274 RESID 215 (P): C 177.971 177.971 178.537 -0.566 RESID 215 (P): CA 65.938 65.938 65.796 0.142 RESID 215 (P): CB 30.006 30.006 30.917 -0.911 RESID 216 (C): N 114.211 114.211 115.009 -0.798 RESID 216 (C): C 176.142 176.142 176.397 -0.255 RESID 216 (C): CA 58.773 58.773 61.922 -3.150 RESID 216 (C): CB 40.906 40.906 27.278 13.628 RESID 216 (C): H 8.269 8.269 7.605 0.664 RESID 217 (H): N 120.491 120.491 121.347 -0.856 RESID 217 (H): C 176.747 176.747 176.937 -0.190 RESID 217 (H): CA 57.198 57.198 58.808 -1.610 RESID 217 (H): CB 29.886 29.886 29.832 0.054 RESID 217 (H): H 7.301 7.301 7.432 -0.131 RESID 218 (F): N 120.501 120.501 117.845 2.656 RESID 218 (F): C 176.187 176.187 177.704 -1.517 RESID 218 (F): CA 59.045 59.045 62.093 -3.048 RESID 218 (F): CB 38.901 38.901 38.419 0.483 RESID 218 (F): H 8.127 8.127 7.792 0.335 RESID 219 (T): N 112.682 112.682 115.145 -2.463 RESID 219 (T): C 175.997 175.997 176.612 -0.615 RESID 219 (T): CA 64.319 64.319 67.377 -3.058 RESID 219 (T): CB 63.282 63.282 68.355 -5.073 RESID 219 (T): H 7.977 7.977 7.834 0.143 RESID 220 (S): N 117.589 117.589 117.405 0.184 RESID 220 (S): C 175.055 175.055 176.422 -1.367 RESID 220 (S): CA 61.344 61.344 61.432 -0.088 RESID 220 (S): CB 63.440 63.440 63.079 0.361 RESID 220 (S): H 8.004 8.004 7.749 0.255 RESID 221 (A): N 123.860 123.860 124.807 -0.947 RESID 221 (A): C 177.618 177.618 179.254 -1.636 RESID 221 (A): CA 53.932 53.932 54.884 -0.952 RESID 221 (A): CB 18.891 18.891 18.193 0.698 RESID 221 (A): H 7.704 7.704 7.859 -0.155 RESID 222 (F): N 116.073 116.073 120.042 -3.969 RESID 222 (F): C 176.142 176.142 177.669 -1.527 RESID 222 (F): CA 58.271 58.271 61.757 -3.486 RESID 222 (F): CB 39.554 39.554 39.118 0.436 RESID 222 (F): H 7.718 7.718 8.176 -0.458 RESID 223 (G): N 108.578 108.578 106.297 2.281 RESID 223 (G): C 173.889 173.889 175.583 -1.694 RESID 223 (G): CA 45.993 45.993 47.046 -1.053 RESID 223 (G): H 7.909 7.909 8.080 -0.171 RESID 224 (A): N 123.322 123.322 124.875 -1.553 RESID 224 (A): C 178.550 178.550 179.626 -1.076 RESID 224 (A): CA 53.608 53.608 54.621 -1.013 RESID 224 (A): CB 19.069 19.069 18.331 0.738 RESID 224 (A): H 8.018 8.018 8.064 -0.046 RESID 225 (G): N 107.935 107.935 107.478 0.457 RESID 225 (G): C 175.389 175.389 175.621 -0.232 RESID 225 (G): CA 46.967 46.967 46.837 0.129 RESID 225 (G): H 8.304 8.304 8.639 -0.335 RESID 226 (F): N 122.440 122.440 122.638 -0.198 RESID 226 (F): C 176.998 176.998 176.738 0.260 RESID 226 (F): CA 60.673 60.673 61.131 -0.458 RESID 226 (F): CB 38.319 38.319 39.366 -1.047 RESID 226 (F): H 8.045 8.045 7.695 0.350 RESID 227 (C): N 116.562 116.562 117.394 -0.832 RESID 227 (C): CA 61.301 61.301 61.644 -0.343 RESID 227 (C): CB 41.286 41.286 28.771 12.515 RESID 227 (C): H 8.016 8.016 7.725 0.291 RESID 228 (T): C 176.437 176.437 176.427 0.010 RESID 228 (T): H 8.410 8.410 8.559 -0.149 RESID 229 (T): N 115.234 115.234 115.747 -0.513 RESID 229 (T): C 176.749 176.749 176.320 0.429 RESID 229 (T): CA 65.980 65.980 65.687 0.293 RESID 229 (T): CB 67.443 67.443 67.666 -0.223 RESID 229 (T): H 8.188 8.188 7.906 0.282 RESID 230 (V): N 120.723 120.723 121.942 -1.219 RESID 230 (V): C 177.983 177.983 176.875 1.108 RESID 230 (V): CA 66.832 66.832 64.725 2.107 RESID 230 (V): CB 31.168 31.168 31.102 0.066 RESID 230 (V): H 8.027 8.027 7.361 0.666 RESID 231 (I): N 120.541 120.541 116.836 3.705 RESID 231 (I): C 177.368 177.368 177.675 -0.307 RESID 231 (I): CA 65.575 65.575 63.908 1.667 RESID 231 (I): CB 37.722 37.722 37.869 -0.147 RESID 231 (I): H 8.458 8.458 7.044 1.414 RESID 232 (A): N 122.766 122.766 121.781 0.985 RESID 232 (A): C 178.847 178.847 179.489 -0.642 RESID 232 (A): CA 55.252 55.252 54.987 0.265 RESID 232 (A): CB 17.874 17.874 18.135 -0.261 RESID 232 (A): H 8.589 8.589 8.201 0.388 RESID 233 (S): N 113.387 113.387 113.961 -0.574 RESID 233 (S): CA 62.348 62.348 63.504 -1.155 RESID 233 (S): CB 61.630 61.630 61.677 -0.047 RESID 233 (S): H 8.218 8.218 8.431 -0.213 RESID 234 (P): C 178.221 178.221 178.901 -0.680 RESID 235 (V): N 116.087 116.087 118.268 -2.181 RESID 235 (V): C 177.089 177.089 177.258 -0.169 RESID 235 (V): CA 65.072 65.072 65.573 -0.501 RESID 235 (V): CB 31.084 31.084 31.840 -0.756 RESID 235 (V): H 8.142 8.142 7.475 0.667 RESID 236 (D): N 121.556 121.556 119.800 1.756 RESID 236 (D): C 177.422 177.422 178.337 -0.915 RESID 236 (D): CA 57.135 57.135 57.826 -0.691 RESID 236 (D): CB 40.065 40.065 41.065 -1.000 RESID 236 (D): H 7.932 7.932 7.686 0.246 RESID 237 (V): N 117.233 117.233 117.740 -0.507 RESID 237 (V): CA 64.977 64.977 66.312 -1.335 RESID 237 (V): CB 31.013 31.013 31.682 -0.669 RESID 237 (V): H 7.710 7.710 8.224 -0.514 RESID 238 (V): C 177.584 177.584 177.266 0.318 RESID 238 (V): H 7.607 7.607 7.434 0.173 RESID 239 (K): N 120.095 120.095 118.207 1.888 RESID 239 (K): C 178.678 178.678 178.168 0.510 RESID 239 (K): CA 58.483 58.483 58.367 0.116 RESID 239 (K): CB 31.863 31.863 32.187 -0.324 RESID 239 (K): H 7.761 7.761 7.513 0.248 RESID 240 (T): N 115.247 115.247 114.451 0.796 RESID 240 (T): C 175.093 175.093 175.243 -0.150 RESID 240 (T): CA 66.458 66.458 64.467 1.991 RESID 240 (T): CB 68.011 68.011 69.234 -1.223 RESID 240 (T): H 7.761 7.761 7.514 0.247 RESID 241 (R): N 119.633 119.633 120.930 -1.297 RESID 241 (R): CA 57.133 57.133 57.972 -0.839 RESID 241 (R): CB 31.218 31.218 30.306 0.912 RESID 241 (R): H 7.383 7.383 7.594 -0.211 RESID 242 (Y): C 174.956 174.956 173.710 1.246 RESID 242 (Y): H 8.699 8.699 8.450 0.249 RESID 243 (M): N 118.458 118.458 122.436 -3.978 RESID 243 (M): C 175.676 175.676 174.911 0.765 RESID 243 (M): CA 54.417 54.417 54.901 -0.484 RESID 243 (M): H 7.442 7.442 8.007 -0.565 RESID 244 (N): N 116.369 116.369 121.736 -5.367 RESID 244 (N): C 174.919 174.919 174.190 0.729 RESID 244 (N): CA 59.470 59.470 53.410 6.060 RESID 244 (N): CB 39.079 39.079 39.322 -0.243 RESID 244 (N): H 7.772 7.772 8.282 -0.510 RESID 245 (S): N 114.568 114.568 115.914 -1.346 RESID 245 (S): C 175.695 175.695 173.813 1.882 RESID 245 (S): CA 53.852 53.852 58.969 -5.117 RESID 245 (S): CB 61.232 61.232 61.487 -0.255 RESID 245 (S): H 8.475 8.475 8.710 -0.235 RESID 246 (A): N 127.283 127.283 127.094 0.189 RESID 246 (A): C 177.128 177.128 176.487 0.641 RESID 246 (A): CA 56.803 56.803 51.970 4.833 RESID 246 (A): CB 18.901 18.901 20.137 -1.236 RESID 246 (A): H 7.929 7.929 8.886 -0.957 RESID 247 (L): N 118.112 118.112 120.961 -2.849 RESID 247 (L): C 176.723 176.723 178.307 -1.584 RESID 247 (L): CA 54.156 54.156 54.883 -0.727 RESID 247 (L): CB 41.215 41.215 40.761 0.453 RESID 247 (L): H 7.922 7.922 8.755 -0.833 RESID 248 (G): N 107.203 107.203 110.901 -3.698 RESID 248 (G): CA 44.558 44.558 45.915 -1.357 RESID 248 (G): H 8.318 8.318 8.778 -0.460 RESID 250 (Y): C 175.942 175.942 175.839 0.103 RESID 250 (Y): H 8.134 8.134 7.643 0.491 RESID 251 (H): N 123.281 123.281 118.497 4.784 RESID 251 (H): C 174.531 174.531 174.760 -0.229 RESID 251 (H): CA 58.931 58.931 58.010 0.921 RESID 251 (H): CB 29.525 29.525 30.413 -0.888 RESID 251 (H): H 8.184 8.184 8.923 -0.739 RESID 252 (S): N 110.038 110.038 112.425 -2.387 RESID 252 (S): C 174.429 174.429 174.903 -0.474 RESID 252 (S): CA 57.452 57.452 57.719 -0.267 RESID 252 (S): CB 65.022 65.022 64.553 0.469 RESID 252 (S): H 8.010 8.010 7.799 0.211 RESID 253 (A): N 123.034 123.034 123.728 -0.694 RESID 253 (A): C 179.249 179.249 179.780 -0.531 RESID 253 (A): CA 54.981 54.981 54.851 0.130 RESID 253 (A): CB 19.069 19.069 18.566 0.503 RESID 253 (A): H 8.034 8.034 8.731 -0.697 RESID 254 (G): N 106.379 106.379 106.874 -0.495 RESID 254 (G): C 174.433 174.433 175.611 -1.178 RESID 254 (G): CA 47.615 47.615 46.952 0.664 RESID 254 (G): H 8.427 8.427 8.151 0.276 RESID 255 (H): N 121.119 121.119 121.833 -0.714 RESID 255 (H): C 178.084 178.084 177.062 1.022 RESID 255 (H): CA 60.144 60.144 59.574 0.570 RESID 255 (H): CB 33.073 33.073 29.885 3.188 RESID 255 (H): H 8.304 8.304 7.896 0.408 RESID 256 (C): N 117.946 117.946 118.143 -0.197 RESID 256 (C): C 175.453 175.453 176.481 -1.028 RESID 256 (C): CA 58.668 58.668 63.358 -4.690 RESID 256 (C): CB 41.434 41.434 27.217 14.217 RESID 256 (C): H 8.168 8.168 8.209 -0.041 RESID 257 (A): N 123.138 123.138 122.276 0.862 RESID 257 (A): C 179.489 179.489 179.605 -0.116 RESID 257 (A): CA 54.589 54.589 55.166 -0.577 RESID 257 (A): CB 17.675 17.675 17.984 -0.309 RESID 257 (A): H 7.932 7.932 7.489 0.443 RESID 258 (L): N 119.779 119.779 118.486 1.293 RESID 258 (L): C 178.234 178.234 179.056 -0.822 RESID 258 (L): CA 56.967 56.967 57.596 -0.629 RESID 258 (L): CB 41.067 41.067 40.867 0.200 RESID 258 (L): H 7.681 7.681 7.764 -0.083 RESID 259 (T): N 114.552 114.552 116.828 -2.276 RESID 259 (T): C 176.244 176.244 176.607 -0.363 RESID 259 (T): CA 66.511 66.511 66.930 -0.419 RESID 259 (T): CB 67.274 67.274 68.337 -1.063 RESID 259 (T): H 7.855 7.855 8.394 -0.539 RESID 260 (M): N 118.862 118.862 120.370 -1.508 RESID 260 (M): C 177.094 177.094 177.391 -0.297 RESID 260 (M): CA 58.532 58.532 58.789 -0.258 RESID 260 (M): CB 32.288 32.288 31.769 0.519 RESID 260 (M): H 8.296 8.296 8.315 -0.019 RESID 261 (L): N 116.839 116.839 118.912 -2.073 RESID 261 (L): C 178.162 178.162 179.034 -0.872 RESID 261 (L): CA 58.167 58.167 57.456 0.711 RESID 261 (L): CB 42.202 42.202 41.860 0.342 RESID 261 (L): H 8.053 8.053 7.394 0.659 RESID 262 (R): N 116.821 116.821 117.809 -0.988 RESID 262 (R): CA 58.761 58.761 58.066 0.695 RESID 262 (R): CB 30.825 30.825 30.243 0.582 RESID 262 (R): H 7.827 7.827 7.803 0.024 RESID 266 (P): C 177.152 177.152 178.475 -1.323 RESID 266 (P): CA 65.152 65.152 64.207 0.945 RESID 267 (R): N 117.739 117.739 119.328 -1.589 RESID 267 (R): C 177.463 177.463 177.684 -0.221 RESID 267 (R): CA 59.335 59.335 58.962 0.373 RESID 267 (R): CB 30.185 30.185 29.499 0.686 RESID 267 (R): H 8.072 8.072 7.930 0.142 RESID 268 (A): N 121.709 121.709 121.024 0.685 RESID 268 (A): C 179.251 179.251 177.688 1.563 RESID 268 (A): CA 54.631 54.631 54.612 0.019 RESID 268 (A): CB 18.683 18.683 18.610 0.073 RESID 268 (A): H 7.963 7.963 7.828 0.135 RESID 269 (F): N 117.096 117.096 118.111 -1.015 RESID 269 (F): C 175.987 175.987 177.231 -1.244 RESID 269 (F): CA 61.037 61.037 59.723 1.314 RESID 269 (F): CB 38.637 38.637 39.455 -0.818 RESID 269 (F): H 7.832 7.832 7.706 0.126 RESID 270 (Y): N 118.496 118.496 119.582 -1.086 RESID 270 (Y): C 176.250 176.250 176.136 0.114 RESID 270 (Y): CA 60.116 60.116 59.578 0.538 RESID 270 (Y): CB 38.882 38.882 38.648 0.234 RESID 270 (Y): H 7.813 7.813 7.519 0.294 RESID 271 (K): N 119.458 119.458 119.264 0.194 RESID 271 (K): C 177.696 177.696 176.265 1.431 RESID 271 (K): CA 57.192 57.192 56.190 1.002 RESID 271 (K): CB 32.734 32.734 32.814 -0.080 RESID 271 (K): H 7.864 7.864 7.660 0.204 RESID 272 (G): N 106.217 106.217 107.181 -0.964 RESID 272 (G): C 173.967 173.967 173.463 0.504 RESID 272 (G): CA 46.117 46.117 45.934 0.183 RESID 272 (G): H 7.622 7.622 8.232 -0.611 RESID 273 (F): N 118.847 118.847 117.837 1.010 RESID 273 (F): C 175.055 175.055 175.067 -0.012 RESID 273 (F): CA 57.721 57.721 57.128 0.593 RESID 273 (F): CB 40.183 40.183 38.914 1.269 RESID 273 (F): H 7.677 7.677 7.355 0.322 RESID 277 (F): C 176.602 176.602 176.931 -0.329 RESID 277 (F): CA 61.838 61.838 61.510 0.328 RESID 277 (F): CB 39.537 39.537 39.331 0.206 RESID 277 (F): H 7.695 7.695 8.475 -0.780 RESID 278 (L): N 118.465 118.465 119.968 -1.503 RESID 278 (L): C 177.152 177.152 178.849 -1.697 RESID 278 (L): CA 56.115 56.115 58.539 -2.424 RESID 278 (L): CB 42.398 42.398 41.598 0.800 RESID 278 (L): H 8.104 8.104 8.052 0.052 RESID 279 (R): N 118.749 118.749 119.201 -0.452 RESID 279 (R): C 176.608 176.608 179.150 -2.542 RESID 279 (R): CA 56.938 56.938 58.802 -1.864 RESID 279 (R): CB 30.659 30.659 29.741 0.918 RESID 279 (R): H 7.472 7.472 8.078 -0.606 RESID 280 (L): N 120.305 120.305 120.270 0.035 RESID 280 (L): C 177.540 177.540 178.728 -1.188 RESID 280 (L): CA 57.094 57.094 57.556 -0.462 RESID 280 (L): CB 42.027 42.027 41.419 0.608 RESID 280 (L): H 7.690 7.690 8.366 -0.676 RESID 281 (G): N 106.837 106.837 106.376 0.461 RESID 281 (G): C 174.045 174.045 176.040 -1.995 RESID 281 (G): CA 46.967 46.967 47.385 -0.418 RESID 281 (G): H 7.881 7.881 7.920 -0.039 RESID 282 (S): N 115.531 115.531 118.309 -2.778 RESID 282 (S): C 174.123 174.123 176.457 -2.334 RESID 282 (S): CA 58.796 58.796 61.301 -2.505 RESID 282 (S): CB 58.975 58.975 62.707 -3.732 RESID 282 (S): H 7.813 7.813 7.772 0.041 RESID 283 (W): N 122.851 122.851 124.345 -1.494 RESID 283 (W): C 176.142 176.142 177.595 -1.453 RESID 283 (W): CA 59.221 59.221 61.327 -2.106 RESID 283 (W): CB 30.446 30.446 29.581 0.865 RESID 283 (W): H 8.186 8.186 8.413 -0.227 RESID 284 (N): N 118.459 118.459 118.101 0.358 RESID 284 (N): CA 55.325 55.325 56.008 -0.683 RESID 284 (N): CB 39.504 39.504 38.220 1.284 RESID 284 (N): H 8.127 8.127 8.048 0.079 RESID 285 (V): C 177.263 177.263 177.876 -0.613 RESID 285 (V): H 7.854 7.854 7.772 0.082 RESID 286 (V): N 119.883 119.883 117.298 2.585 RESID 286 (V): C 177.072 177.072 177.588 -0.516 RESID 286 (V): CA 64.717 64.717 65.334 -0.617 RESID 286 (V): CB 29.553 29.553 30.231 -0.678 RESID 286 (V): H 7.483 7.483 7.378 0.105 RESID 287 (M): N 120.401 120.401 118.145 2.256 RESID 287 (M): C 177.594 177.594 177.663 -0.069 RESID 287 (M): CA 57.654 57.654 57.754 -0.100 RESID 287 (M): CB 31.592 31.592 31.477 0.115 RESID 287 (M): H 8.118 8.118 7.164 0.954 RESID 288 (F): N 122.234 122.234 118.647 3.587 RESID 288 (F): C 176.498 176.498 177.186 -0.688 RESID 288 (F): CA 61.766 61.766 61.605 0.161 RESID 288 (F): CB 39.031 39.031 39.119 -0.088 RESID 288 (F): H 7.878 7.878 7.451 0.427 RESID 289 (V): N 118.907 118.907 116.265 2.642 RESID 289 (V): CA 64.566 64.566 66.355 -1.789 RESID 289 (V): CB 30.544 30.544 30.948 -0.404 RESID 289 (V): H 7.913 7.913 7.731 0.182 RESID 290 (T): C 175.376 175.376 176.460 -1.084 RESID 290 (T): H 8.095 8.095 7.570 0.525 RESID 291 (Y): N 118.029 118.029 123.069 -5.040 RESID 291 (Y): C 176.919 176.919 177.140 -0.221 RESID 291 (Y): CA 61.717 61.717 61.913 -0.196 RESID 291 (Y): CB 38.020 38.020 38.134 -0.114 RESID 291 (Y): H 7.986 7.986 7.500 0.486 RESID 292 (E): N 118.005 118.005 118.954 -0.949 RESID 292 (E): C 176.686 176.686 178.697 -2.011 RESID 292 (E): CA 60.084 60.084 59.642 0.443 RESID 292 (E): CB 29.443 29.443 28.997 0.447 RESID 292 (E): H 8.359 8.359 7.896 0.463 RESID 293 (Q): N 118.746 118.746 119.229 -0.483 RESID 293 (Q): C 176.210 176.210 178.080 -1.870 RESID 293 (Q): CA 58.986 58.986 58.437 0.549 RESID 293 (Q): CB 28.784 28.784 28.358 0.426 RESID 293 (Q): H 7.704 7.704 7.413 0.291 RESID 294 (L): N 120.970 120.970 118.657 2.313 RESID 294 (L): C 178.084 178.084 177.973 0.111 RESID 294 (L): CA 58.741 58.741 56.992 1.749 RESID 294 (L): CB 41.451 41.451 41.574 -0.123 RESID 294 (L): H 7.995 7.995 7.362 0.633 RESID 295 (K): N 117.756 117.756 116.528 1.228 RESID 295 (K): CA 59.048 59.048 58.581 0.467 RESID 295 (K): CB 31.871 31.871 33.053 -1.182 RESID 295 (K): H 7.731 7.731 7.839 -0.108 RESID 296 (R): H 7.895 7.895 7.949 -0.054 RESID 297 (A): C 176.488 176.488 176.719 -0.231 RESID 297 (A): H 8.223 8.223 8.394 -0.171 RESID 298 (L): N 117.376 117.376 121.247 -3.871 RESID 298 (L): C 178.628 178.628 176.045 2.583 RESID 298 (L): CA 58.217 58.217 55.135 3.082 RESID 298 (L): CB 41.905 41.905 44.145 -2.240 RESID 298 (L): H 7.947 7.947 7.934 0.013 RESID 299 (M): N 127.376 127.376 127.424 -0.048 RESID 299 (M): C 178.472 178.472 175.100 3.372 RESID 299 (M): CA 58.461 58.461 55.156 3.305 RESID 299 (M): CB 32.110 32.110 31.500 0.611 RESID 299 (M): H 8.182 8.182 8.786 -0.604 RESID 300 (A): N 121.854 121.854 124.506 -2.652 RESID 300 (A): C 180.197 180.197 175.985 4.212 RESID 300 (A): CA 55.617 55.617 52.357 3.260 RESID 300 (A): CB 18.215 18.215 19.987 -1.772 RESID 300 (A): H 7.841 7.841 7.768 0.073 RESID 301 (A): N 121.224 121.224 128.374 -7.150 RESID 301 (A): C 178.939 178.939 178.139 0.800 RESID 301 (A): CA 55.186 55.186 54.583 0.603 RESID 301 (A): CB 18.735 18.735 18.969 -0.234 RESID 301 (A): H 7.872 7.872 8.722 -0.850 RESID 302 (Y): N 118.183 118.183 119.766 -1.583 RESID 302 (Y): C 176.841 176.841 177.831 -0.990 RESID 302 (Y): CA 60.868 60.868 61.617 -0.749 RESID 302 (Y): CB 39.344 39.344 37.996 1.348 RESID 302 (Y): H 8.100 8.100 8.473 -0.373 RESID 303 (Q): N 117.243 117.243 118.159 -0.916 RESID 303 (Q): C 176.997 176.997 178.602 -1.605 RESID 303 (Q): CA 58.787 58.787 59.158 -0.372 RESID 303 (Q): CB 29.216 29.216 28.129 1.087 RESID 303 (Q): H 8.059 8.059 8.605 -0.546 RESID 304 (S): N 114.721 114.721 114.320 0.401 RESID 304 (S): C 174.511 174.511 176.000 -1.489 RESID 304 (S): CA 59.720 59.720 61.377 -1.657 RESID 304 (S): CB 63.896 63.896 63.136 0.760 RESID 304 (S): H 7.718 7.718 7.819 -0.101 RESID 305 (R): N 121.401 121.401 121.060 0.341 RESID 305 (R): C 175.521 175.521 177.823 -2.302 RESID 305 (R): CA 59.639 59.639 58.589 1.050 RESID 305 (R): CB 30.568 30.568 30.623 -0.055 RESID 305 (R): H 7.609 7.609 8.151 -0.542 RESID 306 (E): N 120.090 120.090 116.861 3.229 RESID 306 (E): C 177.648 177.648 179.079 -1.431 RESID 306 (E): CA 59.624 59.624 58.580 1.044 RESID 306 (E): CB 30.362 30.362 29.376 0.986 RESID 306 (E): H 7.909 7.909 7.810 0.099 RESID 307 (A): N 121.234 121.234 124.964 -3.730 RESID 307 (A): C 176.014 176.014 177.319 -1.305 RESID 307 (A): CA 56.844 56.844 55.395 1.449 RESID 307 (A): CB 17.735 17.735 16.886 0.849 RESID 307 (A): H 7.760 7.760 7.876 -0.116 N HA C CA CB H RESID 16 (K): -1.843 ----- -2.272 0.659 0.699 -0.736 RESID 17 (F): 0.892 ----- -2.919 -1.496 1.568 -0.176 RESID 18 (L): -1.002 ----- -1.317 -1.220 1.254 -0.238 RESID 19 (G): 0.787 ----- -0.591 -1.630 ----- -0.386 RESID 20 (A): 0.331 ----- -0.138 0.025 0.705 0.332 RESID 21 (G): 0.987 ----- -0.635 -0.711 ----- 0.310 RESID 22 (T): 4.462 ----- -0.523 0.570 0.273 -0.431 RESID 23 (A): -0.865 ----- -0.494 0.555 0.143 0.724 RESID 24 (A): -1.329 ----- 0.204 -0.174 0.067 -0.561 RESID 25 (C): -0.841 ----- -0.447 -4.888 13.921 0.211 RESID 26 (I): -0.613 ----- -0.721 -0.353 0.291 0.340 RESID 27 (A): -0.771 ----- 0.022 0.322 -0.099 0.015 RESID 28 (D): -1.552 ----- -0.565 -0.420 -0.100 -0.006 RESID 29 (L): -1.562 ----- -0.031 -1.229 0.846 0.276 RESID 30 (I): 0.911 ----- -0.529 -3.148 0.789 0.287 RESID 31 (T): -2.752 ----- -1.537 -1.160 0.235 0.399 RESID 32 (F): -0.045 ----- ----- -6.282 1.842 -1.191 RESID 33 (P): ----- ----- -0.221 -2.403 3.830 ----- RESID 34 (L): 6.195 ----- -2.039 -1.581 1.408 1.497 RESID 35 (D): 3.516 ----- -0.704 -3.161 0.265 0.533 RESID 36 (T): 3.231 ----- 0.814 -0.853 0.745 0.413 RESID 37 (A): 1.733 ----- -0.066 0.339 0.476 0.259 RESID 38 (K): -0.959 ----- -0.882 -0.172 0.792 0.358 RESID 39 (V): -1.985 ----- 0.506 0.752 3.259 -0.030 RESID 40 (R): 0.125 ----- -0.459 1.864 -0.194 0.229 RESID 41 (L): 2.498 ----- ----- -1.038 0.485 -0.237 RESID 49 (G): ----- ----- -0.259 ----- ----- ----- RESID 50 (L): 0.437 ----- -0.328 -0.423 0.863 -0.181 RESID 51 (V): 4.034 ----- 0.518 0.919 -0.710 0.145 RESID 52 (R): 3.385 ----- ----- 0.424 -0.239 0.090 RESID 53 (T): ----- ----- 0.102 ----- ----- 0.371 RESID 54 (A): -1.954 ----- -1.738 -1.958 -0.734 0.206 RESID 55 (A): -3.720 ----- 1.393 1.228 -0.037 -0.983 RESID 56 (S): 10.134 ----- 0.895 2.184 -0.570 -0.004 RESID 57 (A): -3.682 ----- ----- 1.020 -0.324 0.074 RESID 59 (Y): ----- ----- 1.635 ----- ----- ----- RESID 60 (R): 0.561 ----- 0.926 1.133 0.500 -0.233 RESID 61 (G): 1.946 ----- 0.393 1.226 ----- 0.041 RESID 62 (V): -0.152 ----- 0.266 1.987 0.438 -0.263 RESID 63 (L): -0.024 ----- -0.901 0.837 1.517 -0.189 RESID 64 (G): -0.277 ----- 0.169 0.631 ----- 0.431 RESID 65 (T): 1.691 ----- -0.294 0.811 0.392 0.338 RESID 66 (I): 3.044 ----- -0.162 1.343 0.706 0.540 RESID 67 (L): -0.379 ----- -0.189 0.502 0.803 0.648 RESID 68 (T): 0.218 ----- -0.003 0.691 0.694 0.721 RESID 69 (M): 1.891 ----- -0.317 1.381 0.890 0.337 RESID 70 (V): 2.014 ----- -0.749 0.314 0.030 0.345 RESID 71 (R): -0.368 ----- -0.799 0.304 0.517 0.377 RESID 72 (T): -3.735 ----- -0.391 -1.306 1.359 0.074 RESID 73 (E): 1.303 ----- 1.150 0.735 -0.853 0.281 RESID 74 (G): 1.146 ----- ----- 0.706 ----- 0.380 RESID 75 (P): ----- ----- -1.290 1.211 -0.076 ----- RESID 76 (R): 1.085 ----- -0.336 1.589 0.115 -0.150 RESID 77 (S): 0.871 ----- 1.434 0.592 0.060 -0.039 RESID 78 (L): 3.166 ----- -0.472 0.827 0.235 0.143 RESID 79 (Y): 6.181 ----- -0.208 2.262 0.440 0.493 RESID 80 (N): -1.284 ----- 3.103 -0.164 0.291 0.815 RESID 81 (G): 2.780 ----- 0.824 0.873 ----- 0.351 RESID 82 (L): 1.153 ----- 0.336 0.733 0.089 0.208 RESID 83 (V): 2.680 ----- 0.662 -0.985 1.128 0.027 RESID 84 (A): -0.942 ----- 0.993 0.375 0.172 0.338 RESID 85 (G): -0.977 ----- -0.535 0.515 ----- 0.402 RESID 86 (L): 0.302 ----- -0.558 -0.030 1.299 0.709 RESID 87 (Q): -0.252 ----- -0.863 -1.293 0.642 0.200 RESID 88 (R): -1.136 ----- -1.026 -1.300 1.011 0.238 RESID 89 (Q): 0.598 ----- -1.032 -0.883 0.648 0.332 RESID 90 (M): -1.958 ----- -1.871 -1.582 1.071 -0.562 RESID 91 (S): -0.298 ----- -0.434 -3.123 1.263 0.074 RESID 92 (F): -0.249 ----- 0.787 -2.038 -0.066 0.802 RESID 93 (A): 3.558 ----- -0.060 0.658 -0.235 0.500 RESID 94 (S): -2.698 ----- -0.167 -0.663 0.092 0.404 RESID 95 (V): 3.718 ----- -0.573 -0.471 0.169 -0.503 RESID 96 (R): 2.386 ----- -0.090 0.948 1.381 0.756 RESID 97 (I): 1.639 ----- 0.560 1.593 1.083 0.374 RESID 98 (G): 1.804 ----- 1.428 0.837 ----- 0.398 RESID 99 (L): 0.313 ----- 0.139 1.933 0.538 0.027 RESID 100 (Y): 0.349 ----- 0.037 -0.278 0.624 0.156 RESID 101 (D): 1.129 ----- 0.107 0.589 0.269 -0.236 RESID 102 (S): -0.269 ----- -0.459 0.911 1.094 0.085 RESID 103 (V): 0.071 ----- -0.184 0.742 0.580 0.226 RESID 104 (K): 1.057 ----- -0.252 1.068 -0.086 0.145 RESID 105 (Q): 1.009 ----- -0.619 0.907 -0.406 -0.236 RESID 106 (F): 1.327 ----- 0.718 -0.279 -0.435 0.100 RESID 107 (Y): 5.109 ----- -0.284 1.639 -1.270 0.462 RESID 108 (T): 0.539 ----- 0.957 1.348 0.912 0.288 RESID 113 (H): ----- ----- -0.681 ----- ----- -0.929 RESID 114 (A): -5.698 ----- 1.698 1.217 0.404 0.299 RESID 115 (G): 2.946 ----- -0.183 1.001 ----- 0.174 RESID 116 (I): -0.584 ----- -0.997 -0.006 1.566 0.027 RESID 117 (G): 3.649 ----- -1.889 -0.533 ----- 0.174 RESID 118 (S): -1.329 ----- -0.566 -1.249 0.940 0.006 RESID 119 (R): 0.189 ----- -0.071 -1.542 0.607 -0.254 RESID 120 (L): 0.010 ----- -1.879 -0.121 0.921 0.342 RESID 121 (L): -0.757 ----- -2.028 -2.792 0.987 -0.621 RESID 122 (A): 1.730 ----- -1.454 -2.114 1.263 -1.041 RESID 123 (G): 1.543 ----- 0.489 -0.755 ----- -0.388 RESID 124 (S): -2.047 ----- -1.253 -2.534 0.941 -0.291 RESID 125 (T): -2.306 ----- -0.540 0.545 0.894 -0.076 RESID 126 (T): -1.999 ----- 0.897 -1.076 0.060 -0.348 RESID 127 (G): 7.340 ----- -0.937 -0.724 ----- 0.231 RESID 128 (A): -0.251 ----- -0.957 -1.467 0.588 0.496 RESID 129 (L): 0.856 ----- -0.860 -1.017 1.511 0.480 RESID 130 (A): 1.847 ----- -1.718 -1.636 0.686 -0.134 RESID 131 (V): 0.729 ----- -1.818 -2.322 2.278 -0.266 RESID 132 (A): 2.135 ----- 0.044 -0.993 0.317 0.340 RESID 133 (V): -4.810 ----- -0.875 -0.135 -0.650 -0.366 RESID 134 (A): 2.856 ----- ----- 3.828 ----- 0.082 RESID 136 (P): ----- ----- -1.443 ----- ----- ----- RESID 137 (T): 4.481 ----- -1.488 -1.212 1.867 -0.463 RESID 138 (D): 0.200 ----- -0.125 -0.393 0.681 0.360 RESID 139 (V): 2.085 ----- -0.312 0.562 1.521 0.183 RESID 140 (V): -0.567 ----- -2.129 0.075 1.249 0.586 RESID 141 (K): 0.848 ----- -2.883 -4.228 -0.521 -0.003 RESID 142 (V): 0.394 ----- ----- -2.337 ----- 0.322 RESID 143 (R): ----- ----- -0.166 ----- ----- 0.325 RESID 144 (F): 1.258 ----- 1.160 0.644 ----- -0.175 RESID 145 (Q): 6.217 ----- -2.559 -1.760 1.614 0.262 RESID 146 (A): 0.134 ----- 0.361 0.190 -0.468 0.531 RESID 147 (Q): 1.017 ----- 1.133 0.170 0.940 0.567 RESID 148 (A): -3.639 ----- 0.046 0.633 -0.411 -0.237 RESID 149 (R): 0.574 ----- ----- 1.132 -0.376 -0.034 RESID 159 (T): ----- ----- -0.701 ----- ----- ----- RESID 160 (V): -2.196 ----- 0.754 -1.271 -0.332 0.101 RESID 161 (E): 2.493 ----- 0.216 0.220 -0.094 0.564 RESID 162 (A): 0.862 ----- 0.409 0.032 -0.037 -0.836 RESID 163 (Y): -0.905 ----- -0.245 -0.738 -0.947 -0.051 RESID 164 (K): 2.253 ----- -0.722 0.898 0.352 0.553 RESID 165 (T): -1.961 ----- -0.879 -0.364 0.828 -0.316 RESID 166 (I): 0.702 ----- 0.400 2.462 1.877 0.127 RESID 167 (A): -0.519 ----- -1.823 0.012 0.463 0.453 RESID 168 (R): -3.042 ----- -0.982 -0.435 0.866 -0.039 RESID 169 (E): 0.940 ----- -0.165 -0.058 0.457 0.379 RESID 170 (E): 0.603 ----- 1.133 0.727 0.210 0.404 RESID 171 (G): 1.981 ----- -0.612 0.700 ----- 0.286 RESID 172 (I): 4.353 ----- -0.174 0.158 0.825 0.352 RESID 173 (R): -1.788 ----- -0.521 -0.349 0.500 -0.012 RESID 174 (G): 0.434 ----- -1.250 0.139 ----- -0.349 RESID 175 (L): -1.017 ----- -1.428 -0.126 0.265 0.325 RESID 176 (W): -1.190 ----- -1.582 0.392 1.303 -0.775 RESID 177 (K): -0.940 ----- -1.499 -2.158 0.819 0.072 RESID 178 (G): 4.188 ----- -1.436 0.045 ----- -0.399 RESID 179 (T): -4.207 ----- -1.304 -0.776 1.638 -0.468 RESID 180 (S): 1.282 ----- ----- 0.158 -0.004 0.193 RESID 182 (N): ----- ----- -0.125 ----- ----- ----- RESID 183 (V): -3.094 ----- -0.545 -1.082 0.841 0.240 RESID 184 (A): 0.466 ----- -1.182 0.017 10.091 0.148 RESID 185 (R): -1.227 ----- -1.082 0.047 -0.104 -0.627 RESID 186 (N): -0.586 ----- -0.516 0.410 1.246 0.328 RESID 187 (A): -1.705 ----- -1.158 0.472 -0.634 -0.366 RESID 188 (I): -0.173 ----- -1.242 -0.517 -0.186 -0.667 RESID 189 (V): -1.855 ----- -0.108 -1.340 0.559 -0.075 RESID 190 (N): 0.282 ----- -1.084 -0.437 -0.056 0.094 RESID 191 (C): 0.053 ----- -0.712 -2.490 14.951 -0.200 RESID 192 (A): -0.417 ----- -1.010 0.074 0.016 -0.718 RESID 193 (E): -5.622 ----- -2.057 -1.075 -0.362 -0.872 RESID 194 (L): -2.906 ----- -2.511 -2.099 0.264 -0.491 RESID 195 (V): -0.545 ----- -1.220 -2.921 -0.083 -0.182 RESID 196 (T): 7.096 ----- -1.526 -0.874 0.562 0.300 RESID 197 (Y): 0.420 ----- -0.014 0.196 -0.452 0.506 RESID 198 (D): -1.677 ----- -0.659 0.089 -0.103 0.151 RESID 199 (L): 2.738 ----- 0.833 0.813 0.722 0.284 RESID 200 (I): 2.648 ----- -1.434 0.864 0.471 0.264 RESID 201 (K): 0.542 ----- -0.446 1.224 -0.084 0.350 RESID 202 (D): 0.278 ----- 1.327 1.654 0.560 0.491 RESID 203 (T): 1.612 ----- ----- -1.120 -0.925 0.190 RESID 204 (L): ----- ----- -0.512 ----- ----- -0.734 RESID 205 (L): 4.052 ----- 2.546 1.774 0.436 -0.004 RESID 206 (K): -1.271 ----- 0.449 0.169 0.369 -0.792 RESID 207 (A): 0.993 ----- 0.490 1.202 -0.232 -0.408 RESID 208 (N): -1.329 ----- 0.991 0.442 0.406 -0.172 RESID 212 (D): ----- ----- 0.013 ----- ----- ----- RESID 213 (D): -3.820 ----- -1.481 -0.225 -0.390 -0.471 RESID 214 (L): -0.371 ----- ----- 0.048 -1.601 -0.274 RESID 215 (P): ----- ----- -0.566 0.142 -0.911 ----- RESID 216 (C): -0.798 ----- -0.255 -3.150 13.628 0.664 RESID 217 (H): -0.856 ----- -0.190 -1.610 0.054 -0.131 RESID 218 (F): 2.656 ----- -1.517 -3.048 0.483 0.335 RESID 219 (T): -2.463 ----- -0.615 -3.058 -5.073 0.143 RESID 220 (S): 0.184 ----- -1.367 -0.088 0.361 0.255 RESID 221 (A): -0.947 ----- -1.636 -0.952 0.698 -0.155 RESID 222 (F): -3.969 ----- -1.527 -3.486 0.436 -0.458 RESID 223 (G): 2.281 ----- -1.694 -1.053 ----- -0.171 RESID 224 (A): -1.553 ----- -1.076 -1.013 0.738 -0.046 RESID 225 (G): 0.457 ----- -0.232 0.129 ----- -0.335 RESID 226 (F): -0.198 ----- 0.260 -0.458 -1.047 0.350 RESID 227 (C): -0.832 ----- ----- -0.343 12.515 0.291 RESID 228 (T): ----- ----- 0.010 ----- ----- -0.149 RESID 229 (T): -0.513 ----- 0.429 0.293 -0.223 0.282 RESID 230 (V): -1.219 ----- 1.108 2.107 0.066 0.666 RESID 231 (I): 3.705 ----- -0.307 1.667 -0.147 1.414 RESID 232 (A): 0.985 ----- -0.642 0.265 -0.261 0.388 RESID 233 (S): -0.574 ----- ----- -1.155 -0.047 -0.213 RESID 234 (P): ----- ----- -0.680 ----- ----- ----- RESID 235 (V): -2.181 ----- -0.169 -0.501 -0.756 0.667 RESID 236 (D): 1.756 ----- -0.915 -0.691 -1.000 0.246 RESID 237 (V): -0.507 ----- ----- -1.335 -0.669 -0.514 RESID 238 (V): ----- ----- 0.318 ----- ----- 0.173 RESID 239 (K): 1.888 ----- 0.510 0.116 -0.324 0.248 RESID 240 (T): 0.796 ----- -0.150 1.991 -1.223 0.247 RESID 241 (R): -1.297 ----- ----- -0.839 0.912 -0.211 RESID 242 (Y): ----- ----- 1.246 ----- ----- 0.249 RESID 243 (M): -3.978 ----- 0.765 -0.484 ----- -0.565 RESID 244 (N): -5.367 ----- 0.729 6.060 -0.243 -0.510 RESID 245 (S): -1.346 ----- 1.882 -5.117 -0.255 -0.235 RESID 246 (A): 0.189 ----- 0.641 4.833 -1.236 -0.957 RESID 247 (L): -2.849 ----- -1.584 -0.727 0.453 -0.833 RESID 248 (G): -3.698 ----- ----- -1.357 ----- -0.460 RESID 250 (Y): ----- ----- 0.103 ----- ----- 0.491 RESID 251 (H): 4.784 ----- -0.229 0.921 -0.888 -0.739 RESID 252 (S): -2.387 ----- -0.474 -0.267 0.469 0.211 RESID 253 (A): -0.694 ----- -0.531 0.130 0.503 -0.697 RESID 254 (G): -0.495 ----- -1.178 0.664 ----- 0.276 RESID 255 (H): -0.714 ----- 1.022 0.570 3.188 0.408 RESID 256 (C): -0.197 ----- -1.028 -4.690 14.217 -0.041 RESID 257 (A): 0.862 ----- -0.116 -0.577 -0.309 0.443 RESID 258 (L): 1.293 ----- -0.822 -0.629 0.200 -0.083 RESID 259 (T): -2.276 ----- -0.363 -0.419 -1.063 -0.539 RESID 260 (M): -1.508 ----- -0.297 -0.258 0.519 -0.019 RESID 261 (L): -2.073 ----- -0.872 0.711 0.342 0.659 RESID 262 (R): -0.988 ----- ----- 0.695 0.582 0.024 RESID 266 (P): ----- ----- -1.323 0.945 ----- ----- RESID 267 (R): -1.589 ----- -0.221 0.373 0.686 0.142 RESID 268 (A): 0.685 ----- 1.563 0.019 0.073 0.135 RESID 269 (F): -1.015 ----- -1.244 1.314 -0.818 0.126 RESID 270 (Y): -1.086 ----- 0.114 0.538 0.234 0.294 RESID 271 (K): 0.194 ----- 1.431 1.002 -0.080 0.204 RESID 272 (G): -0.964 ----- 0.504 0.183 ----- -0.611 RESID 273 (F): 1.010 ----- -0.012 0.593 1.269 0.322 RESID 277 (F): ----- ----- -0.329 0.328 0.206 -0.780 RESID 278 (L): -1.503 ----- -1.697 -2.424 0.800 0.052 RESID 279 (R): -0.452 ----- -2.542 -1.864 0.918 -0.606 RESID 280 (L): 0.035 ----- -1.188 -0.462 0.608 -0.676 RESID 281 (G): 0.461 ----- -1.995 -0.418 ----- -0.039 RESID 282 (S): -2.778 ----- -2.334 -2.505 -3.732 0.041 RESID 283 (W): -1.494 ----- -1.453 -2.106 0.865 -0.227 RESID 284 (N): 0.358 ----- ----- -0.683 1.284 0.079 RESID 285 (V): ----- ----- -0.613 ----- ----- 0.082 RESID 286 (V): 2.585 ----- -0.516 -0.617 -0.678 0.105 RESID 287 (M): 2.256 ----- -0.069 -0.100 0.115 0.954 RESID 288 (F): 3.587 ----- -0.688 0.161 -0.088 0.427 RESID 289 (V): 2.642 ----- ----- -1.789 -0.404 0.182 RESID 290 (T): ----- ----- -1.084 ----- ----- 0.525 RESID 291 (Y): -5.040 ----- -0.221 -0.196 -0.114 0.486 RESID 292 (E): -0.949 ----- -2.011 0.443 0.447 0.463 RESID 293 (Q): -0.483 ----- -1.870 0.549 0.426 0.291 RESID 294 (L): 2.313 ----- 0.111 1.749 -0.123 0.633 RESID 295 (K): 1.228 ----- ----- 0.467 -1.182 -0.108 RESID 296 (R): ----- ----- ----- ----- ----- -0.054 RESID 297 (A): ----- ----- -0.231 ----- ----- -0.171 RESID 298 (L): -3.871 ----- 2.583 3.082 -2.240 0.013 RESID 299 (M): -0.048 ----- 3.372 3.305 0.611 -0.604 RESID 300 (A): -2.652 ----- 4.212 3.260 -1.772 0.073 RESID 301 (A): -7.150 ----- 0.800 0.603 -0.234 -0.850 RESID 302 (Y): -1.583 ----- -0.990 -0.749 1.348 -0.373 RESID 303 (Q): -0.916 ----- -1.605 -0.372 1.087 -0.546 RESID 304 (S): 0.401 ----- -1.489 -1.657 0.760 -0.101 RESID 305 (R): 0.341 ----- -2.302 1.050 -0.055 -0.542 RESID 306 (E): 3.229 ----- -1.431 1.044 0.986 0.099 RESID 307 (A): -3.730 ----- -1.305 1.449 0.849 -0.116 DATA CS_STAT_INFO N RMS: 2.404 ppm Count: 236 Average Difference: -0.141 +/- 2.405 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.140 ppm Count: 239 Average Difference: 0.384 +/- 1.076 ppm DATA CS_STAT_INFO CA RMS: 1.562 ppm Count: 241 Average Difference: 0.145 +/- 1.558 ppm DATA CS_STAT_INFO CB RMS: 2.436 ppm Count: 215 Average Difference: -0.651 +/- 2.353 ppm DATA CS_STAT_INFO HN RMS: 0.431 ppm Count: 249 Average Difference: -0.042 +/- 0.430 ppm