REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2rpz_1_A DATA FIRST_RESID 39 DATA SEQUENCE GSSGSSGRLP VNFFKFQFRN VEYSSGRNKT FLCYVVEVQS KGGQAQATQG DATA SEQUENCE YLEDEHAGAH AEEAFFNTIL PAFDPALKYN VTWYVSSSPC AACADRILKT DATA SEQUENCE LSKTKNLRLL ILVSRLFMWE EPEVQAALKK LKEAGCKLRI MKPQDFEYIW DATA SEQUENCE QNFVEQEEGE SKAFEPWEDI QENFLYYEEK LADILKSGPS SG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 G HA2 0.000 nan 3.960 nan 0.000 0.244 39 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 39 G C 0.000 174.918 174.900 0.030 0.000 0.946 39 G CA 0.000 45.113 45.100 0.021 0.000 0.502 40 S N -0.679 115.045 115.700 0.040 0.000 3.419 40 S HA -0.294 4.208 4.470 0.053 0.000 0.350 40 S C -0.481 174.128 174.600 0.016 0.000 1.128 40 S CA -0.230 58.004 58.200 0.057 0.000 0.999 40 S CB -1.121 62.155 63.200 0.127 0.000 0.923 40 S HN 0.022 8.353 8.310 0.034 0.000 0.522 41 S N 0.350 116.034 115.700 -0.026 0.000 2.580 41 S HA -0.203 4.176 4.470 -0.151 0.000 0.261 41 S C 0.257 174.843 174.600 -0.023 0.000 1.366 41 S CA 1.003 59.163 58.200 -0.066 0.000 0.996 41 S CB 0.607 63.779 63.200 -0.047 0.000 0.902 41 S HN -0.679 7.582 8.310 -0.013 0.041 0.566 42 G N 3.582 112.366 108.800 -0.026 0.000 3.302 42 G HA2 0.060 4.022 3.960 0.003 0.000 0.137 42 G HA3 0.060 4.030 3.960 0.017 0.000 0.137 42 G C -0.567 174.330 174.900 -0.005 0.000 1.353 42 G CA 1.101 46.201 45.100 0.000 0.000 0.965 42 G HN 0.742 9.001 8.290 -0.053 0.000 0.564 43 S N 0.206 115.904 115.700 -0.002 0.000 3.200 43 S HA 0.154 4.618 4.470 -0.010 0.000 0.209 43 S C 0.157 174.746 174.600 -0.018 0.000 0.869 43 S CA 0.297 58.492 58.200 -0.007 0.000 0.820 43 S CB 1.011 64.212 63.200 0.000 0.000 0.834 43 S HN 0.098 8.413 8.310 0.008 0.000 0.622 44 S N 1.779 117.474 115.700 -0.008 0.000 2.651 44 S HA 0.219 4.665 4.470 -0.040 0.000 0.291 44 S C 0.576 175.162 174.600 -0.023 0.000 1.141 44 S CA -0.113 58.075 58.200 -0.021 0.000 1.027 44 S CB 1.637 64.828 63.200 -0.016 0.000 1.043 44 S HN -0.128 8.190 8.310 0.012 0.000 0.530 45 G N -0.490 108.275 108.800 -0.058 0.000 3.284 45 G HA2 0.243 4.090 3.960 -0.189 0.000 0.236 45 G HA3 0.243 4.121 3.960 -0.136 0.000 0.236 45 G C -1.461 173.477 174.900 0.064 0.000 1.158 45 G CA -0.118 44.927 45.100 -0.091 0.000 0.774 45 G HN 0.424 8.668 8.290 -0.077 0.000 0.545 46 R N -2.295 118.261 120.500 0.094 0.000 2.950 46 R HA 0.309 4.830 4.340 0.234 -0.040 0.253 46 R C -1.943 174.393 176.300 0.061 0.000 1.168 46 R CA -1.893 54.265 56.100 0.096 0.000 1.014 46 R CB 2.221 32.466 30.300 -0.091 0.000 1.228 46 R HN -0.719 7.499 8.270 0.043 0.078 0.487 47 L N -1.252 119.938 121.223 -0.056 0.000 2.346 47 L HA 0.523 4.828 4.340 -0.058 0.000 0.274 47 L C -2.051 174.787 176.870 -0.054 0.000 1.007 47 L CA -3.322 51.469 54.840 -0.082 0.000 0.818 47 L CB 2.895 44.859 42.059 -0.158 0.000 1.284 47 L HN 0.246 8.438 8.230 -0.062 0.000 0.424 48 P HA 0.098 4.474 4.420 -0.073 0.000 0.271 48 P C 0.595 177.931 177.300 0.059 0.000 1.226 48 P CA -0.402 62.708 63.100 0.016 0.000 0.765 48 P CB 0.420 32.164 31.700 0.074 0.000 0.835 49 V N 5.868 125.736 119.914 -0.077 0.000 2.317 49 V HA -0.613 3.509 4.120 0.003 0.000 0.251 49 V C 1.224 177.444 176.094 0.210 0.000 1.065 49 V CA 4.836 67.134 62.300 -0.002 0.000 1.049 49 V CB -0.259 31.473 31.823 -0.152 0.000 0.651 49 V HN 0.646 8.621 8.190 -0.185 0.104 0.450 50 N N -1.864 116.929 118.700 0.157 0.000 2.184 50 N HA -0.325 4.519 4.740 0.175 0.000 0.190 50 N C 0.686 176.374 175.510 0.298 0.000 1.011 50 N CA 3.207 56.370 53.050 0.187 0.000 0.867 50 N CB -0.348 38.213 38.487 0.122 0.000 0.993 50 N HN 0.304 8.729 8.380 0.085 0.006 0.433 51 F N 0.305 120.346 119.950 0.150 0.000 2.315 51 F HA -0.046 4.583 4.527 0.170 0.000 0.284 51 F C 0.977 176.932 175.800 0.258 0.000 1.049 51 F CA 0.107 58.212 58.000 0.176 0.000 1.323 51 F CB 0.909 39.978 39.000 0.115 0.000 1.113 51 F HN -0.277 8.084 8.300 0.359 0.155 0.544 52 F N 2.665 122.497 119.950 -0.197 0.000 2.184 52 F HA -0.596 3.622 4.527 -0.514 0.000 0.301 52 F C 1.280 177.054 175.800 -0.043 0.000 1.076 52 F CA 3.399 61.249 58.000 -0.250 0.000 1.295 52 F CB -0.261 38.677 39.000 -0.104 0.000 1.026 52 F HN 0.584 9.043 8.300 0.265 0.000 0.494 53 K N -1.172 119.461 120.400 0.388 0.000 2.103 53 K HA -0.451 4.094 4.320 0.375 0.000 0.207 53 K C 1.734 178.410 176.600 0.125 0.000 1.048 53 K CA 3.431 59.903 56.287 0.309 0.000 0.930 53 K CB -0.175 32.532 32.500 0.345 0.000 0.716 53 K HN 0.148 8.639 8.250 0.452 0.030 0.444 54 F N -2.998 116.937 119.950 -0.025 0.000 2.721 54 F HA -0.021 4.482 4.527 -0.040 0.000 0.301 54 F C -0.009 175.705 175.800 -0.144 0.000 1.096 54 F CA 0.247 58.229 58.000 -0.030 0.000 1.308 54 F CB 0.624 39.681 39.000 0.096 0.000 1.086 54 F HN -0.054 8.288 8.300 0.278 0.125 0.587 55 Q N -1.299 118.288 119.800 -0.356 0.000 2.252 55 Q HA -0.065 4.062 4.340 -0.356 0.000 0.195 55 Q C 1.666 177.355 176.000 -0.518 0.000 0.974 55 Q CA 1.666 57.145 55.803 -0.540 0.000 0.846 55 Q CB 0.550 28.597 28.738 -1.152 0.000 0.943 55 Q HN -0.120 7.749 8.270 -0.351 0.190 0.516 56 F N 0.342 119.770 119.950 -0.870 0.000 2.722 56 F HA -0.126 4.048 4.527 -0.587 0.000 0.298 56 F C 0.480 175.877 175.800 -0.672 0.000 1.175 56 F CA 1.544 59.009 58.000 -0.893 0.000 1.462 56 F CB 0.247 38.199 39.000 -1.748 0.000 1.111 56 F HN -0.048 7.654 8.300 -0.803 0.117 0.592 57 R N -1.906 118.299 120.500 -0.492 0.000 2.241 57 R HA -0.322 3.842 4.340 -0.293 0.000 0.224 57 R C -0.542 175.481 176.300 -0.461 0.000 1.101 57 R CA -0.203 55.661 56.100 -0.393 0.000 0.995 57 R CB -0.377 29.709 30.300 -0.357 0.000 0.870 57 R HN -0.158 7.795 8.270 -0.504 0.015 0.463 58 N N 1.291 119.685 118.700 -0.509 0.000 2.309 58 N HA -0.353 4.126 4.740 -0.434 0.000 0.293 58 N C -1.393 173.841 175.510 -0.460 0.000 1.327 58 N CA 1.232 54.000 53.050 -0.470 0.000 1.054 58 N CB -0.563 37.649 38.487 -0.459 0.000 1.474 58 N HN -0.657 7.349 8.380 -0.535 0.053 0.486 59 V N -1.048 118.564 119.914 -0.503 0.000 2.864 59 V HA 0.507 4.417 4.120 -0.348 0.000 0.314 59 V C 0.270 176.099 176.094 -0.442 0.000 1.073 59 V CA -3.319 58.662 62.300 -0.533 0.000 0.956 59 V CB 3.610 34.850 31.823 -0.971 0.000 1.023 59 V HN -0.532 7.338 8.190 -0.532 0.000 0.435 60 E N 4.253 124.336 120.200 -0.196 0.000 2.147 60 E HA -0.403 3.915 4.350 -0.054 0.000 0.199 60 E C -0.462 176.118 176.600 -0.034 0.000 1.005 60 E CA 2.593 58.967 56.400 -0.044 0.000 0.810 60 E CB -0.706 29.058 29.700 0.106 0.000 0.736 60 E HN 0.459 8.757 8.360 -0.104 0.000 0.460 61 Y N -5.404 114.894 120.300 -0.004 0.000 2.581 61 Y HA 0.209 4.759 4.550 -0.000 0.000 0.346 61 Y C -0.799 175.088 175.900 -0.020 0.000 1.147 61 Y CA -1.536 56.562 58.100 -0.005 0.000 1.353 61 Y CB -1.347 37.117 38.460 0.006 0.000 1.187 61 Y HN -0.681 7.500 8.280 -0.141 0.014 0.505 62 S N 1.045 116.603 115.700 -0.236 0.000 2.689 62 S HA 0.152 4.560 4.470 -0.104 0.000 0.274 62 S C -1.432 173.068 174.600 -0.167 0.000 1.176 62 S CA 0.050 58.119 58.200 -0.219 0.000 1.014 62 S CB 1.407 64.374 63.200 -0.388 0.000 1.071 62 S HN -0.352 7.696 8.310 -0.222 0.129 0.478 63 S N 5.720 121.361 115.700 -0.098 0.000 2.452 63 S HA 0.106 4.521 4.470 -0.091 0.000 0.284 63 S C -0.114 174.429 174.600 -0.096 0.000 1.171 63 S CA 0.098 58.249 58.200 -0.082 0.000 1.064 63 S CB -0.031 63.146 63.200 -0.038 0.000 0.967 63 S HN 0.014 8.285 8.310 -0.065 0.000 0.484 64 G N 3.749 112.480 108.800 -0.116 0.000 2.881 64 G HA2 -0.210 3.698 3.960 -0.086 0.000 0.597 64 G HA3 -0.210 3.688 3.960 -0.103 0.000 0.597 64 G C -2.171 172.623 174.900 -0.177 0.000 1.188 64 G CA -0.627 44.402 45.100 -0.117 0.000 1.218 64 G HN 0.357 8.575 8.290 -0.119 0.000 0.544 65 R N 0.117 120.521 120.500 -0.160 0.000 2.750 65 R HA 0.455 4.650 4.340 -0.242 0.000 0.281 65 R C -1.367 174.844 176.300 -0.148 0.000 0.972 65 R CA -1.160 54.823 56.100 -0.195 0.000 0.912 65 R CB 1.819 31.988 30.300 -0.218 0.000 1.187 65 R HN -0.228 7.966 8.270 -0.126 0.000 0.464 66 N N 1.893 120.503 118.700 -0.150 0.000 2.660 66 N HA 0.004 4.698 4.740 -0.076 0.000 0.231 66 N C -0.851 174.572 175.510 -0.145 0.000 1.022 66 N CA 0.716 53.707 53.050 -0.098 0.000 1.178 66 N CB 0.929 39.405 38.487 -0.018 0.000 1.536 66 N HN 0.212 8.479 8.380 -0.189 0.000 0.582 67 K N -0.436 119.846 120.400 -0.197 0.000 2.561 67 K HA 0.151 4.294 4.320 -0.295 0.000 0.254 67 K C -2.197 174.121 176.600 -0.471 0.000 0.942 67 K CA -0.424 55.671 56.287 -0.320 0.000 0.818 67 K CB 2.150 34.453 32.500 -0.329 0.000 1.306 67 K HN -0.360 7.790 8.250 -0.167 0.000 0.435 68 T N 4.446 118.720 114.554 -0.466 0.000 2.907 68 T HA 0.215 4.341 4.350 -0.373 0.000 0.284 68 T C -1.353 173.057 174.700 -0.483 0.000 1.004 68 T CA -0.335 61.510 62.100 -0.424 0.000 1.063 68 T CB 0.809 69.474 68.868 -0.339 0.000 0.992 68 T HN 0.044 8.043 8.240 -0.402 0.000 0.483 69 F N 1.882 121.794 119.950 -0.063 0.000 2.450 69 F HA 0.437 5.115 4.527 0.008 -0.146 0.332 69 F C -0.306 175.498 175.800 0.005 0.000 1.093 69 F CA -1.249 56.745 58.000 -0.010 0.000 1.003 69 F CB 2.314 41.275 39.000 -0.066 0.000 1.151 69 F HN 0.015 8.363 8.300 0.080 0.000 0.474 70 L N 2.722 124.049 121.223 0.173 0.000 2.298 70 L HA 0.466 4.793 4.340 -0.021 0.000 0.284 70 L C -1.267 175.555 176.870 -0.079 0.000 1.013 70 L CA -1.093 53.725 54.840 -0.036 0.000 0.824 70 L CB 1.882 43.796 42.059 -0.242 0.000 1.221 70 L HN -0.003 8.382 8.230 0.258 0.000 0.418 71 C N 7.145 126.302 119.300 -0.239 0.000 2.536 71 C HA 0.180 4.561 4.460 -0.394 -0.158 0.396 71 C C -1.020 173.761 174.990 -0.350 0.000 1.279 71 C CA 0.144 58.827 59.018 -0.557 0.000 2.148 71 C CB 0.787 27.599 27.740 -1.547 0.000 2.584 71 C HN 0.110 8.228 8.230 -0.187 0.000 0.579 72 Y N -0.055 120.228 120.300 -0.029 0.000 2.406 72 Y HA 0.993 5.828 4.550 0.075 -0.241 0.340 72 Y C -2.176 173.989 175.900 0.441 0.000 0.975 72 Y CA -3.267 54.910 58.100 0.128 0.000 1.056 72 Y CB 2.204 40.728 38.460 0.108 0.000 1.210 72 Y HN 0.543 8.524 8.280 -0.498 0.000 0.448 73 V N 4.994 125.247 119.914 0.565 0.000 2.419 73 V HA 0.491 5.138 4.120 0.507 -0.224 0.287 73 V C -1.525 174.835 176.094 0.443 0.000 1.017 73 V CA -1.356 61.250 62.300 0.511 0.000 0.844 73 V CB 2.722 34.853 31.823 0.512 0.000 1.011 73 V HN 0.562 8.934 8.190 0.476 0.103 0.429 74 V N 8.294 128.493 119.914 0.474 0.000 2.398 74 V HA 0.293 4.758 4.120 0.403 -0.104 0.286 74 V C -1.117 175.154 176.094 0.296 0.000 1.026 74 V CA -2.023 60.533 62.300 0.425 0.000 0.868 74 V CB 1.111 33.246 31.823 0.519 0.000 0.982 74 V HN -0.123 8.374 8.190 0.511 0.000 0.443 75 E N 7.904 128.243 120.200 0.232 0.000 2.235 75 E HA 0.374 4.943 4.350 0.113 -0.151 0.252 75 E C -1.401 175.221 176.600 0.037 0.000 0.886 75 E CA -1.398 55.078 56.400 0.126 0.000 0.767 75 E CB 3.087 32.852 29.700 0.108 0.000 1.205 75 E HN 0.281 8.717 8.360 0.255 0.077 0.421 76 V N 4.290 124.150 119.914 -0.089 0.000 2.837 76 V HA 0.316 4.317 4.120 -0.407 -0.125 0.310 76 V C -1.972 173.997 176.094 -0.208 0.000 1.059 76 V CA -3.270 58.814 62.300 -0.361 0.000 1.004 76 V CB 2.458 33.820 31.823 -0.769 0.000 1.045 76 V HN 0.263 8.429 8.190 -0.039 0.000 0.465 77 Q N 1.624 121.296 119.800 -0.213 0.000 2.435 77 Q HA 0.250 4.686 4.340 -0.086 -0.147 0.282 77 Q C -1.663 174.287 176.000 -0.083 0.000 1.020 77 Q CA -1.463 54.278 55.803 -0.104 0.000 0.820 77 Q CB 3.642 32.349 28.738 -0.052 0.000 1.436 77 Q HN -0.230 7.937 8.270 -0.302 -0.079 0.395 78 S N 1.636 117.309 115.700 -0.045 0.000 2.653 78 S HA 0.280 4.740 4.470 -0.016 0.000 0.272 78 S C -0.096 174.500 174.600 -0.008 0.000 1.221 78 S CA -1.718 56.469 58.200 -0.021 0.000 1.149 78 S CB 0.333 63.523 63.200 -0.015 0.000 1.029 78 S HN 0.283 8.569 8.310 -0.039 0.000 0.481 79 K N 6.106 126.505 120.400 -0.001 0.000 3.003 79 K HA -0.263 4.060 4.320 0.005 0.000 0.257 79 K C -0.682 175.918 176.600 0.000 0.000 0.958 79 K CA 0.954 57.243 56.287 0.003 0.000 0.707 79 K CB -1.227 31.277 32.500 0.007 0.000 1.279 79 K HN 0.756 9.006 8.250 0.000 0.000 0.479 80 G N -3.436 105.362 108.800 -0.004 0.000 3.445 80 G HA2 -0.204 3.753 3.960 -0.005 0.000 0.634 80 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.634 80 G C -0.655 174.242 174.900 -0.004 0.000 0.909 80 G CA -0.152 44.946 45.100 -0.003 0.000 0.740 80 G HN -0.267 8.001 8.290 -0.007 0.018 0.441 81 G N 4.497 113.293 108.800 -0.006 0.000 1.924 81 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.077 81 G HA3 -0.166 3.791 3.960 -0.004 0.000 0.077 81 G C -1.078 173.817 174.900 -0.007 0.000 1.448 81 G CA 0.258 45.355 45.100 -0.005 0.000 1.087 81 G HN -0.097 8.189 8.290 -0.008 0.000 0.304 82 Q N 4.084 123.878 119.800 -0.010 0.000 2.278 82 Q HA 0.182 4.517 4.340 -0.008 0.000 0.257 82 Q C -1.756 174.230 176.000 -0.025 0.000 0.928 82 Q CA -0.976 54.820 55.803 -0.012 0.000 0.932 82 Q CB 0.719 29.452 28.738 -0.008 0.000 1.221 82 Q HN 0.134 8.399 8.270 -0.010 0.000 0.434 83 A N 4.438 127.245 122.820 -0.022 0.000 2.393 83 A HA 0.338 4.685 4.320 -0.064 -0.065 0.306 83 A C -2.108 175.465 177.584 -0.019 0.000 1.050 83 A CA -0.620 51.396 52.037 -0.035 0.000 0.724 83 A CB 2.441 21.425 19.000 -0.025 0.000 1.248 83 A HN 0.228 8.371 8.150 -0.012 0.000 0.424 84 Q N 2.047 121.829 119.800 -0.030 0.000 2.372 84 Q HA 0.127 4.478 4.340 0.018 0.000 0.259 84 Q C -1.459 174.569 176.000 0.047 0.000 0.993 84 Q CA -1.056 54.754 55.803 0.010 0.000 0.854 84 Q CB 1.425 30.174 28.738 0.017 0.000 1.231 84 Q HN 0.340 8.565 8.270 -0.074 0.000 0.462 85 A N 7.935 130.793 122.820 0.064 0.000 2.304 85 A HA 1.031 5.673 4.320 0.127 -0.246 0.323 85 A C -0.882 176.776 177.584 0.123 0.000 1.195 85 A CA -1.514 50.583 52.037 0.101 0.000 0.826 85 A CB 1.699 20.748 19.000 0.081 0.000 1.184 85 A HN 0.498 8.677 8.150 0.048 0.000 0.496 86 T N 2.894 117.563 114.554 0.192 0.000 2.924 86 T HA 0.330 4.775 4.350 0.158 0.000 0.291 86 T C -1.763 173.095 174.700 0.263 0.000 1.045 86 T CA -1.345 60.892 62.100 0.228 0.000 1.015 86 T CB 2.395 71.440 68.868 0.295 0.000 1.103 86 T HN 0.561 8.940 8.240 0.231 0.000 0.496 87 Q N 1.094 121.004 119.800 0.184 0.000 2.472 87 Q HA 1.047 5.694 4.340 0.051 -0.277 0.281 87 Q C -1.376 174.467 176.000 -0.261 0.000 0.997 87 Q CA -1.484 54.304 55.803 -0.025 0.000 0.828 87 Q CB 5.329 33.958 28.738 -0.183 0.000 1.443 87 Q HN 0.167 8.544 8.270 0.178 0.000 0.390 88 G N -0.259 108.148 108.800 -0.654 0.000 2.350 88 G HA2 0.026 4.020 3.960 -0.259 0.000 0.304 88 G HA3 0.026 3.736 3.960 -0.417 0.000 0.304 88 G C -3.241 171.234 174.900 -0.707 0.000 1.421 88 G CA 0.397 45.133 45.100 -0.606 0.000 0.934 88 G HN -0.317 7.723 8.290 -0.416 0.000 0.632 89 Y N -2.914 117.349 120.300 -0.062 0.000 2.457 89 Y HA 0.931 5.726 4.550 0.021 -0.233 0.333 89 Y C -1.549 174.545 175.900 0.322 0.000 1.119 89 Y CA -2.893 55.266 58.100 0.099 0.000 1.143 89 Y CB 2.242 40.735 38.460 0.054 0.000 1.230 89 Y HN 0.023 7.895 8.280 -0.679 0.000 0.469 90 L N 0.168 121.707 121.223 0.525 0.000 2.333 90 L HA 0.412 4.961 4.340 0.347 0.000 0.269 90 L C -0.659 176.450 176.870 0.398 0.000 1.010 90 L CA -1.361 53.707 54.840 0.380 0.000 0.818 90 L CB 3.123 45.294 42.059 0.186 0.000 1.306 90 L HN -0.070 8.428 8.230 0.447 0.000 0.430 91 E N -0.592 119.782 120.200 0.290 0.000 2.158 91 E HA 0.086 4.468 4.350 0.053 0.000 0.271 91 E C -0.944 175.689 176.600 0.055 0.000 0.911 91 E CA -2.451 54.044 56.400 0.158 0.000 0.767 91 E CB 1.130 30.965 29.700 0.225 0.000 1.120 91 E HN 0.048 8.560 8.360 0.252 0.000 0.405 92 D N 5.361 125.731 120.400 -0.050 0.000 2.425 92 D HA -0.266 4.479 4.640 0.004 -0.102 0.247 92 D C -0.668 175.645 176.300 0.021 0.000 1.147 92 D CA 0.761 54.727 54.000 -0.056 0.000 0.879 92 D CB 1.135 41.797 40.800 -0.231 0.000 1.179 92 D HN 0.207 8.495 8.370 -0.136 0.000 0.456 93 E N 4.441 124.703 120.200 0.103 0.000 2.259 93 E HA 0.056 4.503 4.350 0.162 0.000 0.281 93 E C 1.058 177.740 176.600 0.137 0.000 1.037 93 E CA -1.397 55.087 56.400 0.140 0.000 0.854 93 E CB 0.702 30.473 29.700 0.117 0.000 1.051 93 E HN -0.341 8.103 8.360 0.139 0.000 0.409 94 H N 2.546 121.645 119.070 0.048 0.000 2.431 94 H HA -0.376 4.198 4.556 0.029 0.000 0.297 94 H C -0.860 174.513 175.328 0.075 0.000 1.115 94 H CA 2.055 58.129 56.048 0.044 0.000 1.277 94 H CB 0.214 29.989 29.762 0.023 0.000 1.372 94 H HN 0.139 8.656 8.280 0.396 0.000 0.516 95 A N -0.636 121.797 122.820 -0.646 0.000 2.771 95 A HA 0.047 4.240 4.320 -0.213 0.000 0.301 95 A C -1.913 175.511 177.584 -0.266 0.000 1.194 95 A CA -0.139 51.619 52.037 -0.464 0.000 0.837 95 A CB -0.393 18.242 19.000 -0.609 0.000 1.438 95 A HN -0.572 7.179 8.150 -0.615 0.029 0.436 96 G N 0.915 109.654 108.800 -0.101 0.000 2.556 96 G HA2 -0.146 3.783 3.960 -0.051 0.000 0.114 96 G HA3 -0.146 3.799 3.960 -0.024 0.000 0.114 96 G C -2.290 172.613 174.900 0.005 0.000 0.956 96 G CA 1.245 46.321 45.100 -0.041 0.000 1.263 96 G HN 0.172 8.429 8.290 -0.055 0.000 0.486 97 A N 3.427 126.284 122.820 0.063 0.000 2.291 97 A HA 0.431 5.011 4.320 0.074 -0.215 0.311 97 A C -1.205 176.498 177.584 0.197 0.000 1.224 97 A CA -1.122 50.978 52.037 0.104 0.000 0.821 97 A CB 1.541 20.602 19.000 0.102 0.000 1.172 97 A HN 0.004 8.195 8.150 0.068 0.000 0.494 98 H N 4.361 123.468 119.070 0.062 0.000 2.771 98 H HA -0.150 4.521 4.556 0.030 -0.097 0.364 98 H C 1.611 176.968 175.328 0.049 0.000 1.133 98 H CA -0.597 55.482 56.048 0.052 0.000 1.423 98 H CB 2.050 31.852 29.762 0.066 0.000 1.425 98 H HN 0.505 8.907 8.280 0.203 0.000 0.606 99 A N 4.415 127.276 122.820 0.069 0.000 1.969 99 A HA -0.445 3.895 4.320 0.034 0.000 0.223 99 A C 1.742 179.296 177.584 -0.052 0.000 1.218 99 A CA 3.517 55.553 52.037 -0.002 0.000 0.667 99 A CB -0.031 18.922 19.000 -0.079 0.000 0.826 99 A HN 0.301 8.621 8.150 -0.027 -0.186 0.472 100 E N -2.467 117.730 120.200 -0.005 0.000 2.038 100 E HA -0.371 3.569 4.350 -0.684 0.000 0.195 100 E C 3.026 179.815 176.600 0.314 0.000 1.000 100 E CA 3.293 59.698 56.400 0.008 0.000 0.803 100 E CB -0.467 29.472 29.700 0.399 0.000 0.750 100 E HN 0.367 8.761 8.360 0.081 0.015 0.448 101 E N 0.117 120.515 120.200 0.330 0.000 2.051 101 E HA -0.408 4.241 4.350 0.499 0.000 0.192 101 E C 2.080 178.844 176.600 0.272 0.000 0.991 101 E CA 2.588 59.200 56.400 0.353 0.000 0.799 101 E CB -0.381 29.466 29.700 0.246 0.000 0.748 101 E HN -0.163 8.300 8.360 0.292 0.073 0.449 102 A N -1.888 121.033 122.820 0.170 0.000 2.067 102 A HA -0.321 4.053 4.320 0.089 0.000 0.224 102 A C 1.619 179.233 177.584 0.050 0.000 1.172 102 A CA 2.729 54.826 52.037 0.100 0.000 0.662 102 A CB -0.881 18.169 19.000 0.084 0.000 0.814 102 A HN -0.041 8.207 8.150 0.164 0.000 0.468 103 F N -0.034 119.856 119.950 -0.099 0.000 2.000 103 F HA -0.415 3.855 4.527 -0.428 0.000 0.295 103 F C 0.946 176.638 175.800 -0.181 0.000 1.159 103 F CA 3.738 61.578 58.000 -0.267 0.000 1.171 103 F CB 0.099 38.957 39.000 -0.236 0.000 0.971 103 F HN -0.668 7.592 8.300 0.216 0.170 0.479 104 F N -4.480 115.546 119.950 0.127 0.000 2.583 104 F HA -0.264 4.141 4.527 -0.320 -0.070 0.297 104 F C 1.970 177.715 175.800 -0.092 0.000 1.131 104 F CA 2.327 60.306 58.000 -0.035 0.000 1.467 104 F CB -1.394 37.755 39.000 0.249 0.000 1.097 104 F HN -0.557 7.950 8.300 0.346 0.000 0.586 105 N N -1.912 116.835 118.700 0.079 0.000 2.250 105 N HA -0.183 4.595 4.740 0.062 0.000 0.181 105 N C 0.764 176.239 175.510 -0.058 0.000 1.017 105 N CA 3.339 56.409 53.050 0.033 0.000 0.866 105 N CB 0.752 39.273 38.487 0.056 0.000 0.985 105 N HN -0.217 8.098 8.380 0.087 0.117 0.429 106 T N -3.345 111.121 114.554 -0.146 0.000 3.177 106 T HA 0.038 4.309 4.350 -0.132 0.000 0.262 106 T C 1.049 175.573 174.700 -0.293 0.000 0.959 106 T CA 0.166 62.164 62.100 -0.169 0.000 0.996 106 T CB 1.394 70.196 68.868 -0.110 0.000 1.185 106 T HN -0.479 7.647 8.240 -0.190 0.000 0.486 107 I N 1.168 121.440 120.570 -0.495 0.000 2.045 107 I HA -0.286 3.594 4.170 -0.483 0.000 0.233 107 I C 0.305 175.997 176.117 -0.708 0.000 1.048 107 I CA 1.536 62.392 61.300 -0.740 0.000 1.313 107 I CB -0.219 36.928 38.000 -1.421 0.000 1.043 107 I HN 0.021 7.943 8.210 -0.480 0.000 0.393 108 L N -1.789 118.814 121.223 -1.033 0.000 2.494 108 L HA 0.399 4.430 4.340 -0.516 0.000 0.251 108 L C -1.087 175.485 176.870 -0.497 0.000 1.119 108 L CA -2.508 51.942 54.840 -0.650 0.000 1.026 108 L CB 0.165 42.010 42.059 -0.356 0.000 1.370 108 L HN -0.667 6.523 8.230 -1.553 0.109 0.426 109 P HA 0.017 4.502 4.420 -0.186 -0.177 0.216 109 P C -0.714 176.293 177.300 -0.487 0.000 1.153 109 P CA 0.747 63.652 63.100 -0.326 0.000 0.844 109 P CB 0.717 32.280 31.700 -0.228 0.000 0.787 110 A N -2.409 119.962 122.820 -0.748 0.000 2.587 110 A HA 0.255 4.163 4.320 -0.687 0.000 0.293 110 A C -2.022 174.945 177.584 -1.029 0.000 1.087 110 A CA -0.372 51.217 52.037 -0.747 0.000 0.692 110 A CB 2.030 20.871 19.000 -0.265 0.000 1.291 110 A HN -0.406 7.337 8.150 -0.678 0.000 0.407 111 F N -2.763 117.041 119.950 -0.245 0.000 2.591 111 F HA 0.159 4.315 4.527 -0.618 0.000 0.309 111 F C -1.639 174.040 175.800 -0.202 0.000 1.098 111 F CA -3.122 54.554 58.000 -0.540 0.000 0.937 111 F CB 2.658 41.096 39.000 -0.937 0.000 1.250 111 F HN 0.021 8.397 8.300 0.128 0.000 0.447 112 D N 3.758 124.304 120.400 0.244 0.000 2.277 112 D HA 0.302 5.046 4.640 0.173 0.000 0.249 112 D C 0.032 176.505 176.300 0.289 0.000 1.134 112 D CA -2.749 51.416 54.000 0.275 0.000 0.863 112 D CB 1.419 42.389 40.800 0.284 0.000 1.143 112 D HN -0.115 8.515 8.370 0.434 0.000 0.458 113 P HA -0.009 4.657 4.420 0.115 -0.176 0.244 113 P C -1.129 176.240 177.300 0.116 0.000 1.211 113 P CA 1.102 64.272 63.100 0.118 0.000 0.760 113 P CB 0.009 31.748 31.700 0.065 0.000 0.961 114 A N -3.390 119.513 122.820 0.138 0.000 2.303 114 A HA 0.115 4.479 4.320 0.074 0.000 0.217 114 A C -1.563 176.077 177.584 0.093 0.000 1.205 114 A CA -0.133 51.962 52.037 0.097 0.000 0.875 114 A CB 0.931 19.977 19.000 0.077 0.000 0.910 114 A HN -0.004 8.128 8.150 0.175 0.123 0.501 115 L N -3.797 117.516 121.223 0.150 0.000 2.323 115 L HA 0.757 5.236 4.340 0.006 -0.135 0.265 115 L C -0.457 176.466 176.870 0.089 0.000 1.012 115 L CA -2.361 52.507 54.840 0.047 0.000 0.820 115 L CB 2.215 44.207 42.059 -0.112 0.000 1.334 115 L HN -0.532 7.691 8.230 0.252 0.158 0.427 116 K N 0.454 120.840 120.400 -0.022 0.000 2.300 116 K HA 0.296 4.852 4.320 0.143 -0.150 0.264 116 K C -0.598 176.011 176.600 0.015 0.000 1.083 116 K CA -1.453 54.864 56.287 0.050 0.000 0.958 116 K CB -0.163 32.354 32.500 0.028 0.000 1.318 116 K HN 0.249 8.389 8.250 -0.083 0.060 0.448 117 Y N 4.579 124.942 120.300 0.105 0.000 2.359 117 Y HA -0.056 4.726 4.550 0.156 -0.139 0.334 117 Y C -0.562 175.414 175.900 0.127 0.000 1.058 117 Y CA -0.020 58.171 58.100 0.152 0.000 1.244 117 Y CB 0.841 39.446 38.460 0.242 0.000 1.187 117 Y HN -0.280 8.329 8.280 0.548 0.000 0.510 118 N N 4.484 123.332 118.700 0.246 0.000 2.706 118 N HA 0.286 5.238 4.740 0.151 -0.122 0.240 118 N C -0.920 174.717 175.510 0.213 0.000 1.039 118 N CA -1.165 51.993 53.050 0.180 0.000 0.888 118 N CB 0.403 38.963 38.487 0.122 0.000 1.128 118 N HN 0.605 9.039 8.380 0.225 0.081 0.512 119 V N 5.945 125.976 119.914 0.195 0.000 2.607 119 V HA 0.292 4.783 4.120 0.292 -0.196 0.289 119 V C -0.150 175.958 176.094 0.023 0.000 1.053 119 V CA -0.521 61.881 62.300 0.170 0.000 0.996 119 V CB 0.621 32.515 31.823 0.118 0.000 0.995 119 V HN 0.130 8.421 8.190 0.168 0.000 0.476 120 T N 7.102 121.698 114.554 0.070 0.000 2.991 120 T HA 0.268 4.638 4.350 -0.175 -0.125 0.303 120 T C -1.497 173.212 174.700 0.015 0.000 1.015 120 T CA 0.043 62.098 62.100 -0.075 0.000 1.007 120 T CB 2.635 71.457 68.868 -0.077 0.000 1.034 120 T HN 0.098 8.382 8.240 0.215 0.084 0.446 121 W N 5.548 126.552 121.300 -0.494 0.000 2.475 121 W HA 0.679 5.397 4.660 -0.339 -0.262 0.317 121 W C -1.120 175.097 176.519 -0.504 0.000 1.046 121 W CA -3.026 54.068 57.345 -0.418 0.000 1.215 121 W CB 2.324 31.616 29.460 -0.280 0.000 1.335 121 W HN 0.903 8.857 8.180 -0.191 0.112 0.471 122 Y N 3.406 123.722 120.300 0.026 0.000 2.575 122 Y HA 0.118 4.668 4.550 -0.001 0.000 0.326 122 Y C -1.157 174.727 175.900 -0.027 0.000 0.979 122 Y CA -0.658 57.415 58.100 -0.046 0.000 1.286 122 Y CB -0.110 38.264 38.460 -0.143 0.000 1.093 122 Y HN 0.055 8.268 8.280 -0.112 0.000 0.501 123 V N -2.113 117.898 119.914 0.161 0.000 3.156 123 V HA 0.585 4.853 4.120 0.246 0.000 0.310 123 V C -1.350 174.820 176.094 0.127 0.000 1.234 123 V CA -3.129 59.262 62.300 0.153 0.000 1.065 123 V CB 3.058 34.918 31.823 0.061 0.000 1.088 123 V HN -0.211 8.065 8.190 0.144 0.000 0.451 124 S N -0.352 115.377 115.700 0.049 0.000 2.527 124 S HA -0.027 4.548 4.470 0.031 -0.086 0.227 124 S C -0.504 174.048 174.600 -0.079 0.000 1.059 124 S CA 0.025 58.214 58.200 -0.020 0.000 0.919 124 S CB 0.591 63.708 63.200 -0.138 0.000 0.805 124 S HN 0.490 8.796 8.310 -0.006 0.000 0.500 125 S N 0.862 116.514 115.700 -0.080 0.000 2.462 125 S HA 0.087 4.545 4.470 -0.020 0.000 0.294 125 S C 0.054 174.692 174.600 0.063 0.000 1.144 125 S CA -0.652 57.522 58.200 -0.044 0.000 1.088 125 S CB 0.874 63.974 63.200 -0.167 0.000 1.009 125 S HN -0.637 7.619 8.310 -0.091 0.000 0.484 126 S N 6.985 122.787 115.700 0.169 0.000 2.592 126 S HA 0.157 4.714 4.470 0.145 0.000 0.271 126 S C -1.510 173.254 174.600 0.274 0.000 1.326 126 S CA -1.427 56.891 58.200 0.197 0.000 1.024 126 S CB 0.759 64.069 63.200 0.183 0.000 0.921 126 S HN 0.095 8.537 8.310 0.221 0.000 0.527 127 P HA 0.126 4.850 4.420 0.281 -0.135 0.271 127 P C -0.896 176.550 177.300 0.243 0.000 1.216 127 P CA -0.286 62.969 63.100 0.260 0.000 0.771 127 P CB 0.846 32.700 31.700 0.257 0.000 0.864 128 C N -2.189 117.281 119.300 0.282 0.000 2.758 128 C HA -0.021 4.532 4.460 0.155 0.000 0.371 128 C C 1.683 176.740 174.990 0.111 0.000 1.342 128 C CA -2.004 57.135 59.018 0.202 0.000 2.257 128 C CB 0.590 28.478 27.740 0.246 0.000 2.621 128 C HN -0.028 8.409 8.230 0.344 0.000 0.730 129 A N 0.543 123.395 122.820 0.052 0.000 2.139 129 A HA -0.377 3.961 4.320 0.030 0.000 0.221 129 A C -0.266 177.338 177.584 0.034 0.000 1.159 129 A CA 2.936 54.990 52.037 0.029 0.000 0.662 129 A CB -0.417 18.584 19.000 0.001 0.000 0.796 129 A HN 0.778 8.946 8.150 0.030 0.000 0.463 130 A N -6.842 116.002 122.820 0.040 0.000 1.973 130 A HA -0.145 4.185 4.320 0.017 0.000 0.210 130 A C 0.562 178.184 177.584 0.064 0.000 1.200 130 A CA 1.159 53.210 52.037 0.023 0.000 0.707 130 A CB -0.342 18.640 19.000 -0.030 0.000 0.862 130 A HN -0.250 7.857 8.150 0.053 0.075 0.461 131 C N -0.279 119.090 119.300 0.115 0.000 2.429 131 C HA -0.226 4.354 4.460 0.199 0.000 0.277 131 C C 1.939 177.047 174.990 0.197 0.000 1.262 131 C CA 3.575 62.712 59.018 0.198 0.000 1.733 131 C CB -1.740 26.168 27.740 0.279 0.000 2.010 131 C HN -0.535 7.674 8.230 0.121 0.093 0.483 132 A N -2.775 120.133 122.820 0.145 0.000 2.168 132 A HA -0.319 4.070 4.320 0.115 0.000 0.215 132 A C 0.861 178.482 177.584 0.062 0.000 1.152 132 A CA 2.470 54.568 52.037 0.101 0.000 0.716 132 A CB -0.889 18.155 19.000 0.073 0.000 0.794 132 A HN 0.015 8.246 8.150 0.134 0.000 0.465 133 D N -0.671 119.766 120.400 0.061 0.000 2.092 133 D HA -0.264 4.383 4.640 0.013 0.000 0.203 133 D C 1.722 178.037 176.300 0.024 0.000 0.978 133 D CA 3.325 57.343 54.000 0.030 0.000 0.861 133 D CB 0.205 41.020 40.800 0.024 0.000 1.005 133 D HN -0.778 7.440 8.370 0.077 0.198 0.450 134 R N -1.834 118.698 120.500 0.054 0.000 2.261 134 R HA -0.266 4.077 4.340 0.005 0.000 0.236 134 R C 1.872 178.177 176.300 0.008 0.000 1.141 134 R CA 2.292 58.420 56.100 0.047 0.000 1.001 134 R CB -1.025 29.345 30.300 0.117 0.000 0.866 134 R HN -0.545 7.768 8.270 0.071 0.000 0.468 135 I N -2.107 118.497 120.570 0.058 0.000 2.400 135 I HA -0.211 3.961 4.170 0.003 0.000 0.248 135 I C 1.474 177.526 176.117 -0.108 0.000 1.109 135 I CA 2.373 63.685 61.300 0.020 0.000 1.425 135 I CB 0.432 38.481 38.000 0.083 0.000 1.094 135 I HN -0.818 7.279 8.210 0.090 0.167 0.425 136 L N -1.398 119.783 121.223 -0.070 0.000 2.156 136 L HA -0.165 4.116 4.340 -0.098 0.000 0.208 136 L C 1.217 178.020 176.870 -0.111 0.000 1.095 136 L CA 3.615 58.404 54.840 -0.085 0.000 0.770 136 L CB -0.708 41.321 42.059 -0.051 0.000 0.914 136 L HN -0.344 7.772 8.230 -0.029 0.097 0.439 137 K N -2.154 118.181 120.400 -0.108 0.000 2.442 137 K HA -0.191 4.074 4.320 -0.091 0.000 0.198 137 K C 1.429 177.926 176.600 -0.171 0.000 1.042 137 K CA 2.373 58.593 56.287 -0.112 0.000 0.958 137 K CB -0.712 31.739 32.500 -0.082 0.000 0.766 137 K HN -0.017 8.162 8.250 -0.087 0.019 0.474 138 T N 0.509 114.904 114.554 -0.265 0.000 3.031 138 T HA -0.093 4.065 4.350 -0.320 0.000 0.254 138 T C 0.770 175.262 174.700 -0.347 0.000 1.060 138 T CA 3.828 65.696 62.100 -0.387 0.000 1.135 138 T CB 0.767 69.191 68.868 -0.739 0.000 0.896 138 T HN -0.590 7.314 8.240 -0.261 0.180 0.472 139 L N 1.030 122.096 121.223 -0.262 0.000 2.179 139 L HA -0.085 4.113 4.340 -0.238 0.000 0.208 139 L C 1.095 177.872 176.870 -0.155 0.000 1.096 139 L CA 2.512 57.230 54.840 -0.204 0.000 0.779 139 L CB 0.090 42.057 42.059 -0.152 0.000 0.922 139 L HN -0.753 7.240 8.230 -0.238 0.094 0.443 140 S N -4.812 110.809 115.700 -0.133 0.000 2.603 140 S HA -0.228 4.192 4.470 -0.084 0.000 0.229 140 S C 0.753 175.294 174.600 -0.098 0.000 0.972 140 S CA 1.811 59.953 58.200 -0.098 0.000 0.935 140 S CB -0.187 62.965 63.200 -0.080 0.000 0.769 140 S HN -0.309 7.916 8.310 -0.141 0.000 0.536 141 K N -2.177 118.145 120.400 -0.130 0.000 2.403 141 K HA 0.168 4.436 4.320 -0.086 0.000 0.199 141 K C 0.491 177.008 176.600 -0.138 0.000 1.199 141 K CA 0.290 56.507 56.287 -0.117 0.000 0.924 141 K CB 1.246 33.677 32.500 -0.116 0.000 1.137 141 K HN -0.792 7.154 8.250 -0.167 0.203 0.510 142 T N 3.873 118.300 114.554 -0.210 0.000 2.749 142 T HA 0.292 4.536 4.350 -0.176 0.000 0.287 142 T C -0.934 173.668 174.700 -0.164 0.000 0.970 142 T CA 0.214 62.172 62.100 -0.237 0.000 0.980 142 T CB 1.163 69.744 68.868 -0.478 0.000 0.924 142 T HN -0.137 7.957 8.240 -0.243 0.000 0.456 143 K N 5.700 126.042 120.400 -0.097 0.000 2.161 143 K HA -0.024 4.255 4.320 -0.068 0.000 0.205 143 K C 0.510 177.093 176.600 -0.029 0.000 1.035 143 K CA 1.794 58.047 56.287 -0.058 0.000 0.970 143 K CB 0.423 32.903 32.500 -0.034 0.000 0.866 143 K HN 0.417 8.618 8.250 -0.081 0.000 0.461 144 N N -3.022 115.680 118.700 0.004 0.000 2.417 144 N HA -0.252 4.515 4.740 0.045 0.000 0.187 144 N C -0.657 174.905 175.510 0.087 0.000 1.027 144 N CA 1.024 54.108 53.050 0.056 0.000 0.891 144 N CB -0.553 37.996 38.487 0.103 0.000 0.956 144 N HN 0.087 8.467 8.380 0.000 0.000 0.442 145 L N 0.060 121.296 121.223 0.021 0.000 2.281 145 L HA 0.180 4.785 4.340 0.173 -0.161 0.285 145 L C -0.762 176.108 176.870 -0.000 0.000 1.074 145 L CA -0.071 54.783 54.840 0.022 0.000 0.817 145 L CB 1.141 43.074 42.059 -0.210 0.000 1.168 145 L HN -0.769 7.356 8.230 -0.047 0.077 0.434 146 R N 7.347 127.880 120.500 0.055 0.000 2.278 146 R HA 0.287 4.618 4.340 -0.015 0.000 0.322 146 R C -1.804 174.497 176.300 0.002 0.000 1.058 146 R CA -3.210 52.900 56.100 0.017 0.000 0.991 146 R CB -0.518 29.801 30.300 0.032 0.000 1.140 146 R HN 0.955 9.297 8.270 0.120 0.000 0.518 147 L N 4.955 126.144 121.223 -0.055 0.000 2.305 147 L HA 0.133 4.397 4.340 -0.127 0.000 0.281 147 L C -2.227 174.535 176.870 -0.180 0.000 1.085 147 L CA -0.639 54.119 54.840 -0.137 0.000 0.813 147 L CB 2.245 44.206 42.059 -0.164 0.000 1.157 147 L HN 0.390 8.580 8.230 -0.067 0.000 0.436 148 L N 6.324 127.401 121.223 -0.244 0.000 2.401 148 L HA 0.683 5.077 4.340 -0.151 -0.144 0.266 148 L C -1.981 174.733 176.870 -0.260 0.000 0.991 148 L CA -1.703 53.020 54.840 -0.195 0.000 0.818 148 L CB 3.444 45.433 42.059 -0.116 0.000 1.321 148 L HN -0.227 7.822 8.230 -0.303 0.000 0.413 149 I N 2.721 123.198 120.570 -0.155 0.000 2.644 149 I HA 0.331 4.658 4.170 -0.015 -0.166 0.291 149 I C -2.212 173.904 176.117 -0.003 0.000 1.180 149 I CA -0.533 60.732 61.300 -0.058 0.000 1.040 149 I CB 3.638 41.619 38.000 -0.032 0.000 1.255 149 I HN 0.810 8.952 8.210 -0.113 0.000 0.422 150 L N 5.338 126.581 121.223 0.033 0.000 2.370 150 L HA 0.972 5.552 4.340 0.048 -0.212 0.266 150 L C -1.505 175.400 176.870 0.058 0.000 1.002 150 L CA -1.288 53.589 54.840 0.062 0.000 0.818 150 L CB 4.186 46.322 42.059 0.130 0.000 1.325 150 L HN 0.494 8.748 8.230 0.039 0.000 0.418 151 V N -2.898 117.025 119.914 0.016 0.000 2.567 151 V HA 0.563 4.958 4.120 -0.000 -0.275 0.298 151 V C 0.043 176.078 176.094 -0.099 0.000 1.047 151 V CA -2.749 59.533 62.300 -0.029 0.000 0.880 151 V CB 0.754 32.553 31.823 -0.039 0.000 1.009 151 V HN -0.218 8.031 8.190 0.012 -0.052 0.429 152 S N 5.322 120.979 115.700 -0.071 0.000 2.507 152 S HA -0.151 4.476 4.470 0.047 -0.129 0.235 152 S C -0.189 174.184 174.600 -0.379 0.000 0.988 152 S CA 2.789 60.973 58.200 -0.027 0.000 0.944 152 S CB 0.595 63.916 63.200 0.203 0.000 0.762 152 S HN 0.079 8.375 8.310 -0.025 0.000 0.526 153 R N -2.560 117.567 120.500 -0.622 0.000 2.584 153 R HA 0.196 2.420 4.340 -3.527 0.000 0.276 153 R C -2.418 173.504 176.300 -0.631 0.000 1.046 153 R CA -1.797 53.516 56.100 -1.312 0.000 0.906 153 R CB 3.022 33.009 30.300 -0.522 0.000 1.215 153 R HN -0.664 7.340 8.270 -0.335 0.065 0.449 154 L N 1.692 122.580 121.223 -0.558 0.000 2.331 154 L HA 0.118 4.440 4.340 -0.031 0.000 0.278 154 L C -1.064 176.075 176.870 0.449 0.000 1.106 154 L CA -0.404 54.404 54.840 -0.053 0.000 0.824 154 L CB 0.447 42.276 42.059 -0.382 0.000 1.142 154 L HN 0.260 7.892 8.230 -0.998 0.000 0.443 155 F N 3.561 123.685 119.950 0.290 0.000 2.522 155 F HA 0.160 4.891 4.527 0.339 0.000 0.324 155 F C -0.400 175.556 175.800 0.259 0.000 1.077 155 F CA -1.112 57.056 58.000 0.280 0.000 0.944 155 F CB 3.485 42.553 39.000 0.115 0.000 1.175 155 F HN -0.102 8.425 8.300 0.378 0.000 0.468 156 M N 1.665 120.743 119.600 -0.870 0.000 2.375 156 M HA -0.392 3.825 4.480 -0.664 -0.135 0.197 156 M C -0.061 176.025 176.300 -0.357 0.000 0.414 156 M CA 0.929 55.710 55.300 -0.865 0.000 0.442 156 M CB -1.470 30.327 32.600 -1.337 0.000 1.527 156 M HN 0.436 8.431 8.290 -0.491 0.000 0.864 157 W N -6.204 114.979 121.300 -0.195 0.000 3.433 157 W HA 0.027 4.621 4.660 -0.110 0.000 0.376 157 W C -1.627 174.846 176.519 -0.078 0.000 1.160 157 W CA -0.858 56.427 57.345 -0.099 0.000 1.832 157 W CB -1.348 28.093 29.460 -0.031 0.000 1.011 157 W HN 0.042 8.122 8.180 -0.121 0.029 0.766 158 E N -3.363 116.573 120.200 -0.441 0.000 2.641 158 E HA 0.145 4.293 4.350 -0.338 0.000 0.224 158 E C -0.525 175.931 176.600 -0.241 0.000 0.951 158 E CA -0.757 55.383 56.400 -0.433 0.000 1.102 158 E CB 1.092 30.404 29.700 -0.647 0.000 1.091 158 E HN -0.360 7.616 8.360 -0.430 0.126 0.507 159 E N 1.451 121.531 120.200 -0.201 0.000 2.283 159 E HA 0.310 4.579 4.350 -0.136 0.000 0.278 159 E C -1.000 175.548 176.600 -0.087 0.000 1.027 159 E CA -3.513 52.803 56.400 -0.141 0.000 0.843 159 E CB -0.605 29.006 29.700 -0.148 0.000 1.062 159 E HN -0.718 7.509 8.360 -0.223 0.000 0.401 160 P HA 0.015 4.412 4.420 -0.038 0.000 0.234 160 P C -0.017 177.262 177.300 -0.035 0.000 1.167 160 P CA 1.617 64.690 63.100 -0.044 0.000 0.763 160 P CB 0.197 31.873 31.700 -0.040 0.000 0.835 161 E N -0.828 119.346 120.200 -0.042 0.000 2.201 161 E HA -0.163 4.172 4.350 -0.025 0.000 0.193 161 E C 1.032 177.616 176.600 -0.026 0.000 0.957 161 E CA 1.717 58.098 56.400 -0.032 0.000 0.858 161 E CB -0.179 29.502 29.700 -0.033 0.000 0.816 161 E HN -0.119 8.123 8.360 -0.056 0.084 0.475 162 V N 0.191 120.082 119.914 -0.038 0.000 2.515 162 V HA -0.415 3.697 4.120 -0.013 0.000 0.250 162 V C 1.414 177.507 176.094 -0.002 0.000 1.058 162 V CA 3.077 65.362 62.300 -0.025 0.000 1.064 162 V CB -0.168 31.622 31.823 -0.055 0.000 0.675 162 V HN -0.167 7.988 8.190 -0.058 0.000 0.461 163 Q N -1.001 118.797 119.800 -0.004 0.000 2.050 163 Q HA -0.459 3.896 4.340 0.025 0.000 0.202 163 Q C 2.239 178.242 176.000 0.004 0.000 0.980 163 Q CA 3.362 59.171 55.803 0.010 0.000 0.840 163 Q CB -0.568 28.174 28.738 0.006 0.000 0.898 163 Q HN -0.499 7.738 8.270 -0.018 0.022 0.424 164 A N -3.189 119.629 122.820 -0.003 0.000 2.167 164 A HA -0.105 4.212 4.320 -0.004 0.000 0.214 164 A C 0.930 178.512 177.584 -0.003 0.000 1.151 164 A CA 1.632 53.666 52.037 -0.005 0.000 0.735 164 A CB -0.718 18.277 19.000 -0.009 0.000 0.802 164 A HN 0.096 8.241 8.150 -0.008 0.000 0.467 165 A N -2.342 120.478 122.820 0.000 0.000 2.095 165 A HA -0.025 4.296 4.320 0.002 0.000 0.212 165 A C 0.726 178.317 177.584 0.012 0.000 1.162 165 A CA 1.840 53.880 52.037 0.006 0.000 0.753 165 A CB 0.050 19.056 19.000 0.010 0.000 0.840 165 A HN -0.606 7.367 8.150 -0.000 0.177 0.468 166 L N -2.970 118.262 121.223 0.014 0.000 2.354 166 L HA -0.105 4.248 4.340 0.022 0.000 0.212 166 L C 1.461 178.334 176.870 0.005 0.000 1.091 166 L CA 1.339 56.190 54.840 0.018 0.000 0.828 166 L CB 0.205 42.282 42.059 0.029 0.000 0.973 166 L HN 0.090 8.225 8.230 0.012 0.102 0.461 167 K N 0.130 120.531 120.400 0.002 0.000 1.985 167 K HA -0.450 3.868 4.320 -0.004 0.000 0.210 167 K C 1.958 178.551 176.600 -0.012 0.000 1.047 167 K CA 4.089 60.374 56.287 -0.005 0.000 0.932 167 K CB -0.174 32.324 32.500 -0.004 0.000 0.716 167 K HN -0.351 7.901 8.250 0.004 0.000 0.439 168 K N -1.085 119.307 120.400 -0.014 0.000 2.127 168 K HA -0.386 3.920 4.320 -0.023 0.000 0.212 168 K C 2.180 178.762 176.600 -0.030 0.000 1.050 168 K CA 3.470 59.744 56.287 -0.022 0.000 0.929 168 K CB -0.672 31.815 32.500 -0.022 0.000 0.715 168 K HN -0.360 7.883 8.250 -0.010 0.000 0.457 169 L N -3.354 117.852 121.223 -0.027 0.000 2.042 169 L HA -0.320 3.989 4.340 -0.052 0.000 0.210 169 L C 1.559 178.406 176.870 -0.039 0.000 1.076 169 L CA 3.502 58.318 54.840 -0.039 0.000 0.749 169 L CB -1.268 40.772 42.059 -0.033 0.000 0.893 169 L HN -0.625 7.577 8.230 -0.018 0.016 0.432 170 K N -1.936 118.447 120.400 -0.028 0.000 2.296 170 K HA -0.152 4.152 4.320 -0.028 0.000 0.200 170 K C 2.034 178.620 176.600 -0.024 0.000 1.048 170 K CA 2.154 58.426 56.287 -0.024 0.000 0.966 170 K CB -0.429 32.061 32.500 -0.017 0.000 0.754 170 K HN 0.202 8.338 8.250 -0.021 0.101 0.466 171 E N -1.883 118.302 120.200 -0.025 0.000 2.400 171 E HA -0.038 4.299 4.350 -0.021 0.000 0.195 171 E C 0.918 177.499 176.600 -0.032 0.000 1.012 171 E CA 1.227 57.613 56.400 -0.024 0.000 0.875 171 E CB 0.555 30.242 29.700 -0.021 0.000 0.859 171 E HN -0.207 7.979 8.360 -0.025 0.159 0.498 172 A N -2.505 120.291 122.820 -0.040 0.000 2.095 172 A HA 0.022 4.313 4.320 -0.048 0.000 0.212 172 A C -0.183 177.368 177.584 -0.055 0.000 1.162 172 A CA 0.577 52.583 52.037 -0.051 0.000 0.753 172 A CB 0.886 19.847 19.000 -0.064 0.000 0.840 172 A HN 0.294 8.192 8.150 -0.040 0.228 0.468 173 G N -4.522 104.248 108.800 -0.050 0.000 2.318 173 G HA2 -0.177 3.761 3.960 -0.037 0.000 0.172 173 G HA3 -0.177 3.752 3.960 -0.052 0.000 0.172 173 G C -0.638 174.229 174.900 -0.055 0.000 1.002 173 G CA -0.605 44.466 45.100 -0.048 0.000 0.697 173 G HN -0.668 7.595 8.290 -0.046 0.000 0.483 174 C N 1.872 121.133 119.300 -0.065 0.000 2.741 174 C HA -0.188 4.215 4.460 -0.095 0.000 0.403 174 C C -0.235 174.718 174.990 -0.062 0.000 1.282 174 C CA 0.386 59.356 59.018 -0.079 0.000 2.053 174 C CB 0.719 28.406 27.740 -0.088 0.000 2.731 174 C HN 0.193 8.385 8.230 -0.064 0.000 0.680 175 K N 4.264 124.621 120.400 -0.072 0.000 2.425 175 K HA 0.339 4.641 4.320 -0.030 0.000 0.259 175 K C -2.006 174.567 176.600 -0.044 0.000 0.978 175 K CA -1.564 54.695 56.287 -0.046 0.000 0.883 175 K CB 0.704 33.181 32.500 -0.039 0.000 1.110 175 K HN -0.146 8.043 8.250 -0.102 0.000 0.436 176 L N 4.168 125.378 121.223 -0.022 0.000 2.341 176 L HA 0.933 5.471 4.340 -0.017 -0.208 0.278 176 L C -0.004 176.871 176.870 0.009 0.000 1.005 176 L CA -1.201 53.632 54.840 -0.013 0.000 0.818 176 L CB 2.107 44.156 42.059 -0.016 0.000 1.259 176 L HN 0.482 8.702 8.230 -0.017 0.000 0.418 177 R N 1.590 122.105 120.500 0.025 0.000 2.604 177 R HA 0.255 4.622 4.340 0.045 0.000 0.270 177 R C -1.648 174.690 176.300 0.064 0.000 1.052 177 R CA -1.812 54.326 56.100 0.064 0.000 0.902 177 R CB 2.705 33.078 30.300 0.121 0.000 1.233 177 R HN -0.003 8.279 8.270 0.020 0.000 0.455 178 I N 2.683 123.271 120.570 0.030 0.000 2.680 178 I HA -0.151 4.141 4.170 -0.039 -0.145 0.286 178 I C 0.418 176.644 176.117 0.182 0.000 1.144 178 I CA -1.840 59.460 61.300 0.001 0.000 1.370 178 I CB -2.193 35.632 38.000 -0.292 0.000 1.420 178 I HN 0.461 8.662 8.210 -0.016 0.000 0.540 179 M N 8.915 128.571 119.600 0.093 0.000 2.773 179 M HA -0.362 4.171 4.480 0.087 0.000 0.442 179 M C -0.514 175.860 176.300 0.122 0.000 1.731 179 M CA 0.632 55.963 55.300 0.052 0.000 1.110 179 M CB -1.602 30.935 32.600 -0.104 0.000 2.058 179 M HN 0.099 8.413 8.290 0.034 -0.003 0.494 180 K N 6.856 127.374 120.400 0.197 0.000 2.276 180 K HA 0.068 4.609 4.320 0.369 0.000 0.259 180 K C -0.409 176.311 176.600 0.200 0.000 1.001 180 K CA -0.636 55.789 56.287 0.231 0.000 0.927 180 K CB -0.990 31.584 32.500 0.122 0.000 0.969 180 K HN 0.319 8.684 8.250 0.192 0.000 0.490 181 P HA -0.123 4.806 4.420 0.849 0.000 0.239 181 P C 0.511 178.079 177.300 0.447 0.000 1.184 181 P CA 1.740 65.149 63.100 0.515 0.000 0.760 181 P CB 0.276 32.194 31.700 0.364 0.000 0.884 182 Q N -4.003 115.942 119.800 0.241 0.000 2.339 182 Q HA -0.084 4.380 4.340 0.207 0.000 0.205 182 Q C 0.616 176.721 176.000 0.175 0.000 0.925 182 Q CA 2.260 58.173 55.803 0.185 0.000 0.898 182 Q CB -0.430 28.364 28.738 0.095 0.000 1.013 182 Q HN 0.056 8.348 8.270 0.180 0.086 0.504 183 D N 0.748 121.214 120.400 0.110 0.000 2.149 183 D HA -0.156 4.499 4.640 0.024 0.000 0.201 183 D C 1.815 178.095 176.300 -0.033 0.000 0.972 183 D CA 2.562 56.556 54.000 -0.011 0.000 0.835 183 D CB -0.002 40.750 40.800 -0.080 0.000 0.966 183 D HN -0.714 7.613 8.370 0.107 0.107 0.476 184 F N -0.912 119.055 119.950 0.029 0.000 2.063 184 F HA -0.479 3.920 4.527 -0.213 0.000 0.298 184 F C 1.573 177.396 175.800 0.038 0.000 1.109 184 F CA 3.183 61.117 58.000 -0.110 0.000 1.212 184 F CB -0.244 38.481 39.000 -0.459 0.000 0.973 184 F HN -0.810 7.553 8.300 0.105 0.000 0.480 185 E N -1.220 119.248 120.200 0.447 0.000 2.119 185 E HA -0.601 4.029 4.350 0.467 0.000 0.221 185 E C 2.042 178.845 176.600 0.338 0.000 1.062 185 E CA 3.692 60.334 56.400 0.404 0.000 0.894 185 E CB -0.307 29.581 29.700 0.313 0.000 0.785 185 E HN -0.030 8.653 8.360 0.538 0.000 0.472 186 Y N -1.103 119.265 120.300 0.114 0.000 2.081 186 Y HA -0.325 4.255 4.550 0.051 0.000 0.280 186 Y C 1.834 177.763 175.900 0.049 0.000 1.163 186 Y CA 2.876 61.002 58.100 0.044 0.000 1.135 186 Y CB -0.267 38.181 38.460 -0.018 0.000 0.970 186 Y HN -0.732 7.738 8.280 0.317 0.000 0.498 187 I N -3.982 116.462 120.570 -0.209 0.000 2.850 187 I HA -0.388 3.685 4.170 -0.161 0.000 0.266 187 I C 1.220 177.268 176.117 -0.114 0.000 1.257 187 I CA 1.125 62.313 61.300 -0.187 0.000 1.465 187 I CB -1.699 36.180 38.000 -0.201 0.000 1.091 187 I HN -0.544 7.625 8.210 -0.068 0.000 0.467 188 W N -0.192 120.953 121.300 -0.257 0.000 2.630 188 W HA -0.173 4.128 4.660 -0.599 0.000 0.271 188 W C 0.494 176.839 176.519 -0.290 0.000 1.244 188 W CA 1.137 58.257 57.345 -0.374 0.000 1.353 188 W CB 1.610 30.899 29.460 -0.285 0.000 1.080 188 W HN 0.108 8.155 8.180 0.139 0.216 0.594 189 Q N -3.909 115.704 119.800 -0.312 0.000 2.396 189 Q HA 0.062 4.018 4.340 -0.639 0.000 0.209 189 Q C 0.410 176.212 176.000 -0.329 0.000 0.906 189 Q CA 2.052 57.634 55.803 -0.368 0.000 0.927 189 Q CB 1.236 29.934 28.738 -0.068 0.000 1.069 189 Q HN -0.057 8.076 8.270 -0.051 0.106 0.523 190 N N -1.364 117.112 118.700 -0.373 0.000 2.622 190 N HA 0.073 4.613 4.740 -0.332 0.000 0.213 190 N C 0.612 175.837 175.510 -0.476 0.000 1.037 190 N CA 1.745 54.526 53.050 -0.448 0.000 0.999 190 N CB 1.517 39.580 38.487 -0.707 0.000 1.342 190 N HN 0.163 8.190 8.380 -0.376 0.128 0.465 191 F N -1.887 117.799 119.950 -0.439 0.000 2.771 191 F HA -0.117 4.267 4.527 -0.238 0.000 0.299 191 F C -1.036 174.570 175.800 -0.323 0.000 1.177 191 F CA 2.345 60.159 58.000 -0.310 0.000 1.450 191 F CB 0.799 39.644 39.000 -0.257 0.000 1.114 191 F HN -0.682 7.413 8.300 -0.341 0.000 0.587 192 V N -2.399 117.320 119.914 -0.324 0.000 2.623 192 V HA 0.453 4.578 4.120 -0.345 -0.213 0.304 192 V C -2.342 173.426 176.094 -0.543 0.000 1.054 192 V CA -2.367 59.635 62.300 -0.496 0.000 0.882 192 V CB 3.933 35.229 31.823 -0.878 0.000 1.002 192 V HN -0.642 7.295 8.190 -0.380 0.024 0.424 193 E N 6.919 126.880 120.200 -0.398 0.000 2.259 193 E HA 0.126 4.280 4.350 -0.326 0.000 0.281 193 E C -1.224 175.137 176.600 -0.398 0.000 1.037 193 E CA -0.768 55.434 56.400 -0.330 0.000 0.854 193 E CB 1.326 30.913 29.700 -0.189 0.000 1.051 193 E HN 0.527 8.579 8.360 -0.307 0.123 0.409 194 Q N 4.829 124.402 119.800 -0.380 0.000 2.205 194 Q HA 0.037 4.139 4.340 -0.397 0.000 0.249 194 Q C -0.427 175.476 176.000 -0.162 0.000 0.948 194 Q CA -0.629 54.977 55.803 -0.328 0.000 0.895 194 Q CB 1.834 30.383 28.738 -0.315 0.000 1.249 194 Q HN 0.268 8.337 8.270 -0.335 0.000 0.458 195 E N 0.471 120.616 120.200 -0.093 0.000 2.458 195 E HA -0.220 4.104 4.350 -0.043 0.000 0.264 195 E C -0.376 176.196 176.600 -0.046 0.000 1.097 195 E CA 0.489 56.862 56.400 -0.045 0.000 0.973 195 E CB 0.602 30.298 29.700 -0.006 0.000 0.963 195 E HN 0.057 8.369 8.360 -0.080 0.000 0.451 196 E N -0.046 120.134 120.200 -0.033 0.000 2.316 196 E HA -0.159 4.167 4.350 -0.040 0.000 0.275 196 E C 1.002 177.589 176.600 -0.020 0.000 1.029 196 E CA 0.533 56.914 56.400 -0.030 0.000 0.871 196 E CB 0.008 29.692 29.700 -0.026 0.000 1.022 196 E HN 0.061 8.405 8.360 -0.026 0.000 0.418 197 G N 5.615 114.403 108.800 -0.021 0.000 2.396 197 G HA2 -0.385 3.567 3.960 -0.013 0.000 0.242 197 G HA3 -0.385 3.569 3.960 -0.010 0.000 0.242 197 G C -0.448 174.447 174.900 -0.007 0.000 1.069 197 G CA 0.605 45.697 45.100 -0.013 0.000 0.633 197 G HN 0.598 8.872 8.290 -0.027 0.000 0.517 198 E N 0.776 120.973 120.200 -0.005 0.000 2.322 198 E HA 0.181 4.537 4.350 0.010 0.000 0.257 198 E C -1.343 175.262 176.600 0.008 0.000 1.155 198 E CA -1.143 55.261 56.400 0.007 0.000 0.936 198 E CB 1.263 30.973 29.700 0.017 0.000 1.130 198 E HN -0.583 7.643 8.360 -0.010 0.129 0.465 199 S N -2.425 113.295 115.700 0.033 0.000 2.550 199 S HA 0.098 4.778 4.470 0.038 -0.187 0.274 199 S C -1.489 173.173 174.600 0.104 0.000 1.110 199 S CA -0.584 57.647 58.200 0.051 0.000 1.013 199 S CB 1.328 64.547 63.200 0.032 0.000 1.152 199 S HN -0.072 8.262 8.310 0.039 0.000 0.450 200 K N 3.329 123.849 120.400 0.200 0.000 2.502 200 K HA 0.401 4.801 4.320 0.133 0.000 0.256 200 K C -1.279 175.524 176.600 0.337 0.000 1.053 200 K CA -1.654 54.777 56.287 0.239 0.000 1.002 200 K CB 1.223 33.897 32.500 0.289 0.000 1.384 200 K HN 0.220 8.719 8.250 0.223 -0.116 0.537 201 A N -1.040 121.877 122.820 0.162 0.000 2.511 201 A HA 0.225 4.688 4.320 0.237 0.000 0.292 201 A C -2.235 175.172 177.584 -0.296 0.000 1.045 201 A CA -0.191 51.869 52.037 0.038 0.000 0.870 201 A CB 1.279 20.320 19.000 0.069 0.000 1.361 201 A HN 0.059 8.231 8.150 0.038 0.000 0.396 202 F N 3.484 122.953 119.950 -0.801 0.000 2.484 202 F HA -0.250 3.851 4.527 -0.710 0.000 0.355 202 F C -0.996 174.638 175.800 -0.277 0.000 1.170 202 F CA 0.316 57.908 58.000 -0.681 0.000 1.025 202 F CB -0.417 38.116 39.000 -0.778 0.000 1.107 202 F HN 0.284 8.051 8.300 -0.889 0.000 0.589 203 E N 7.359 127.143 120.200 -0.693 0.000 2.121 203 E HA 0.331 4.305 4.350 -0.627 0.000 0.255 203 E C -1.683 174.585 176.600 -0.554 0.000 0.906 203 E CA -3.696 52.355 56.400 -0.582 0.000 0.745 203 E CB 0.711 30.246 29.700 -0.275 0.000 1.155 203 E HN -0.367 7.695 8.360 -0.497 0.000 0.424 204 P HA -0.018 4.304 4.420 -0.162 0.000 0.266 204 P C -1.095 176.222 177.300 0.028 0.000 1.419 204 P CA -0.259 62.676 63.100 -0.275 0.000 1.112 204 P CB -0.372 31.213 31.700 -0.191 0.000 1.438 205 W N 5.449 126.650 121.300 -0.165 0.000 3.180 205 W HA -0.020 4.577 4.660 -0.105 0.000 0.254 205 W C -0.661 175.812 176.519 -0.077 0.000 1.318 205 W CA -1.402 55.877 57.345 -0.109 0.000 1.608 205 W CB -0.783 28.618 29.460 -0.098 0.000 1.124 205 W HN -0.035 8.321 8.180 0.293 0.000 0.694 206 E N 0.276 120.553 120.200 0.128 0.000 2.021 206 E HA -0.048 4.076 4.350 -0.376 0.000 0.189 206 E C -0.312 176.228 176.600 -0.101 0.000 0.980 206 E CA 1.423 57.763 56.400 -0.100 0.000 0.803 206 E CB 0.326 30.048 29.700 0.037 0.000 0.766 206 E HN -0.449 8.015 8.360 0.308 0.080 0.449 207 D N -3.519 116.882 120.400 0.001 0.000 2.530 207 D HA -0.018 4.612 4.640 -0.016 0.000 0.193 207 D C -0.928 175.424 176.300 0.087 0.000 1.243 207 D CA 0.031 54.040 54.000 0.015 0.000 0.803 207 D CB 1.368 42.168 40.800 0.000 0.000 1.955 207 D HN -0.493 7.912 8.370 0.059 0.000 0.529 208 I N -0.711 119.904 120.570 0.075 0.000 2.628 208 I HA 0.103 4.371 4.170 0.163 0.000 0.255 208 I C 0.669 176.872 176.117 0.144 0.000 1.119 208 I CA 0.549 61.915 61.300 0.111 0.000 1.448 208 I CB 0.453 38.485 38.000 0.054 0.000 1.133 208 I HN 0.392 8.625 8.210 0.039 0.000 0.438 209 Q N 0.955 120.819 119.800 0.106 0.000 2.178 209 Q HA -0.160 4.296 4.340 0.193 0.000 0.195 209 Q C 1.858 177.978 176.000 0.200 0.000 0.960 209 Q CA 2.655 58.548 55.803 0.150 0.000 0.843 209 Q CB 0.221 29.002 28.738 0.072 0.000 0.927 209 Q HN 0.026 8.336 8.270 0.067 0.000 0.487 210 E N -0.263 120.004 120.200 0.111 0.000 2.164 210 E HA -0.434 3.965 4.350 0.082 0.000 0.206 210 E C 1.933 178.589 176.600 0.094 0.000 1.032 210 E CA 4.183 60.631 56.400 0.080 0.000 0.832 210 E CB -1.009 28.703 29.700 0.020 0.000 0.742 210 E HN 0.683 9.087 8.360 0.075 0.000 0.460 211 N N -2.490 116.279 118.700 0.116 0.000 2.250 211 N HA -0.217 4.481 4.740 -0.071 0.000 0.181 211 N C 1.586 177.238 175.510 0.237 0.000 1.017 211 N CA 2.724 55.836 53.050 0.104 0.000 0.866 211 N CB -0.564 38.030 38.487 0.178 0.000 0.985 211 N HN 0.191 8.639 8.380 0.131 0.010 0.429 212 F N 2.428 122.475 119.950 0.161 0.000 2.060 212 F HA -0.280 4.397 4.527 0.249 0.000 0.295 212 F C 1.291 177.171 175.800 0.133 0.000 1.120 212 F CA 3.581 61.687 58.000 0.177 0.000 1.205 212 F CB 0.227 39.305 39.000 0.130 0.000 0.986 212 F HN -0.722 7.718 8.300 0.402 0.101 0.470 213 L N -2.916 118.482 121.223 0.291 0.000 2.081 213 L HA -0.556 3.813 4.340 0.048 0.000 0.212 213 L C 1.874 178.715 176.870 -0.049 0.000 1.080 213 L CA 3.155 58.060 54.840 0.108 0.000 0.754 213 L CB -0.717 41.447 42.059 0.174 0.000 0.893 213 L HN 0.373 8.781 8.230 0.477 0.108 0.433 214 Y N 0.119 120.328 120.300 -0.151 0.000 2.089 214 Y HA -0.518 3.911 4.550 -0.202 0.000 0.282 214 Y C 2.042 177.727 175.900 -0.358 0.000 1.139 214 Y CA 3.844 61.784 58.100 -0.267 0.000 1.123 214 Y CB -0.072 38.171 38.460 -0.362 0.000 0.980 214 Y HN -0.850 7.503 8.280 0.146 0.015 0.493 215 Y N -3.326 116.961 120.300 -0.023 0.000 2.439 215 Y HA -0.350 3.924 4.550 -0.459 0.000 0.292 215 Y C 1.844 177.479 175.900 -0.443 0.000 1.130 215 Y CA 2.040 59.981 58.100 -0.264 0.000 1.254 215 Y CB -0.723 37.686 38.460 -0.085 0.000 1.000 215 Y HN -0.371 7.957 8.280 0.080 0.000 0.554 216 E N 0.555 120.540 120.200 -0.358 0.000 2.077 216 E HA -0.472 3.602 4.350 -0.460 0.000 0.193 216 E C 1.921 178.342 176.600 -0.297 0.000 0.989 216 E CA 3.744 59.878 56.400 -0.443 0.000 0.800 216 E CB -0.489 28.861 29.700 -0.583 0.000 0.746 216 E HN 0.430 8.355 8.360 -0.344 0.228 0.452 217 E N -0.909 119.111 120.200 -0.301 0.000 2.204 217 E HA -0.283 3.962 4.350 -0.176 0.000 0.194 217 E C 2.393 178.808 176.600 -0.308 0.000 0.989 217 E CA 2.564 58.810 56.400 -0.256 0.000 0.824 217 E CB -0.217 29.335 29.700 -0.247 0.000 0.756 217 E HN -0.551 7.615 8.360 -0.324 0.000 0.477 218 K N 0.043 120.139 120.400 -0.508 0.000 1.984 218 K HA -0.250 3.696 4.320 -0.624 0.000 0.209 218 K C 2.260 178.676 176.600 -0.306 0.000 1.046 218 K CA 2.409 58.286 56.287 -0.684 0.000 0.934 218 K CB -0.743 30.931 32.500 -1.378 0.000 0.717 218 K HN -0.789 6.994 8.250 -0.549 0.137 0.438 219 L N -1.158 119.909 121.223 -0.259 0.000 2.042 219 L HA -0.344 3.948 4.340 -0.080 0.000 0.210 219 L C 1.490 178.313 176.870 -0.078 0.000 1.076 219 L CA 2.870 57.634 54.840 -0.127 0.000 0.749 219 L CB -0.725 41.260 42.059 -0.124 0.000 0.893 219 L HN -0.378 7.666 8.230 -0.311 0.000 0.432 220 A N -2.505 120.256 122.820 -0.099 0.000 1.898 220 A HA -0.386 3.909 4.320 -0.042 0.000 0.216 220 A C 1.534 179.098 177.584 -0.033 0.000 1.181 220 A CA 2.876 54.878 52.037 -0.059 0.000 0.620 220 A CB -0.851 18.109 19.000 -0.066 0.000 0.819 220 A HN -0.322 7.741 8.150 -0.145 0.000 0.442 221 D N 0.156 120.533 120.400 -0.038 0.000 2.204 221 D HA -0.361 4.281 4.640 0.002 0.000 0.189 221 D C 2.629 178.949 176.300 0.032 0.000 1.006 221 D CA 3.012 57.019 54.000 0.010 0.000 0.855 221 D CB -0.188 40.648 40.800 0.060 0.000 0.946 221 D HN -0.197 8.009 8.370 -0.083 0.115 0.448 222 I N -1.125 119.476 120.570 0.051 0.000 2.236 222 I HA -0.445 3.757 4.170 0.053 0.000 0.249 222 I C 0.870 176.999 176.117 0.020 0.000 1.102 222 I CA 3.321 64.649 61.300 0.046 0.000 1.365 222 I CB 0.143 38.175 38.000 0.054 0.000 1.051 222 I HN -0.750 7.495 8.210 0.059 0.000 0.420 223 L N -8.125 113.103 121.223 0.008 0.000 2.313 223 L HA -0.156 4.184 4.340 0.001 0.000 0.214 223 L C -0.446 176.424 176.870 0.000 0.000 1.119 223 L CA 0.743 55.583 54.840 0.000 0.000 0.809 223 L CB -0.385 41.670 42.059 -0.007 0.000 0.933 223 L HN -0.271 7.825 8.230 0.004 0.137 0.449 224 K N -0.953 119.448 120.400 0.002 0.000 2.559 224 K HA 0.241 4.561 4.320 0.000 0.000 0.249 224 K C -1.827 174.777 176.600 0.007 0.000 0.958 224 K CA -1.417 54.870 56.287 0.002 0.000 0.901 224 K CB 0.413 32.911 32.500 -0.003 0.000 1.124 224 K HN -0.112 7.954 8.250 0.004 0.187 0.437 225 S N 4.313 120.017 115.700 0.006 0.000 2.472 225 S HA 0.204 4.681 4.470 0.011 0.000 0.303 225 S C 0.516 175.118 174.600 0.003 0.000 1.099 225 S CA -0.819 57.385 58.200 0.007 0.000 1.077 225 S CB 1.629 64.832 63.200 0.005 0.000 1.031 225 S HN 0.068 8.379 8.310 0.003 0.000 0.487 226 G N 3.065 111.867 108.800 0.004 0.000 2.503 226 G HA2 0.275 4.235 3.960 0.001 0.000 0.257 226 G HA3 0.275 4.236 3.960 0.002 0.000 0.257 226 G C -1.771 173.128 174.900 -0.000 0.000 1.214 226 G CA -1.299 43.802 45.100 0.002 0.000 0.839 226 G HN 0.124 8.418 8.290 0.006 0.000 0.559 227 P HA 0.117 4.535 4.420 -0.003 0.000 0.271 227 P C -1.273 176.025 177.300 -0.003 0.000 1.218 227 P CA -0.690 62.408 63.100 -0.002 0.000 0.780 227 P CB 1.414 33.113 31.700 -0.002 0.000 0.901 228 S N 3.100 118.798 115.700 -0.004 0.000 2.400 228 S HA 0.106 4.574 4.470 -0.005 0.000 0.295 228 S C -0.263 174.335 174.600 -0.004 0.000 1.113 228 S CA 0.574 58.771 58.200 -0.005 0.000 1.064 228 S CB 0.202 63.399 63.200 -0.006 0.000 0.990 228 S HN 0.127 8.434 8.310 -0.004 0.000 0.502 229 S N 4.836 120.534 115.700 -0.004 0.000 2.578 229 S HA 0.117 4.585 4.470 -0.004 0.000 0.228 229 S C 0.484 175.082 174.600 -0.004 0.000 1.022 229 S CA 0.124 58.322 58.200 -0.003 0.000 0.967 229 S CB 0.582 63.781 63.200 -0.003 0.000 0.914 229 S HN 0.468 8.776 8.310 -0.004 0.000 0.515 230 G N 0.000 108.797 108.800 -0.004 0.000 5.446 230 G HA2 0.000 nan 3.960 nan 0.000 0.244 230 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 230 G CA 0.000 45.097 45.100 -0.004 0.000 0.502 230 G HN 0.000 8.287 8.290 -0.004 0.000 0.925