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 2ptn_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN 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 16 I HA 0.000 4.170 4.170 0.000 0.000 0.288 16 I C 0.000 176.100 176.117 -0.029 0.000 1.063 16 I CA 0.000 61.284 61.300 -0.027 0.000 1.566 16 I CB 0.000 37.959 38.000 -0.068 0.000 1.214 17 V N 3.736 123.649 119.914 -0.001 0.000 2.472 17 V HA 0.710 4.835 4.120 0.009 0.000 0.290 17 V C 1.137 177.240 176.094 0.015 0.000 1.037 17 V CA 0.402 62.702 62.300 0.000 0.000 0.908 17 V CB 1.298 33.127 31.823 0.010 0.000 0.985 17 V HN 1.152 9.342 8.190 0.000 0.000 0.454 18 G N 3.291 112.095 108.800 0.006 0.000 2.176 18 G HA2 -0.128 3.838 3.960 0.009 0.000 0.252 18 G HA3 -0.128 3.838 3.960 0.009 0.000 0.252 18 G C 0.427 175.347 174.900 0.034 0.000 1.024 18 G CA 0.264 45.369 45.100 0.008 0.000 0.755 18 G HN 1.324 9.614 8.290 0.000 0.000 0.507 19 G N -0.807 108.014 108.800 0.034 0.000 2.857 19 G HA2 0.901 4.867 3.960 0.009 0.000 0.217 19 G HA3 0.901 4.867 3.960 0.009 0.000 0.217 19 G C -0.369 174.603 174.900 0.119 0.000 1.357 19 G CA -0.477 44.662 45.100 0.064 0.000 1.033 19 G HN 1.278 9.568 8.290 0.000 0.000 0.571 20 Y N -3.036 117.248 120.300 -0.027 0.000 2.609 20 Y HA 0.686 5.240 4.550 0.007 0.000 0.342 20 Y C -0.256 175.620 175.900 -0.039 0.000 1.058 20 Y CA -1.291 56.792 58.100 -0.028 0.000 1.055 20 Y CB 0.896 39.343 38.460 -0.023 0.000 1.292 20 Y HN 0.375 8.655 8.280 0.000 0.000 0.476 21 T N 1.841 116.421 114.554 0.044 0.000 2.738 21 T HA 0.082 4.437 4.350 0.009 0.000 0.293 21 T C 0.837 175.522 174.700 -0.025 0.000 0.913 21 T CA -0.315 61.761 62.100 -0.039 0.000 1.103 21 T CB 0.162 69.043 68.868 0.022 0.000 0.880 21 T HN 0.923 9.163 8.240 0.000 0.000 0.526 22 c N 2.865 121.354 118.600 -0.185 0.000 2.398 22 c HA 0.240 4.815 4.570 0.009 0.000 0.276 22 c C 1.752 175.842 174.090 -0.000 0.000 1.222 22 c CA 0.758 57.001 56.329 -0.143 0.000 1.746 22 c CB -1.630 40.745 42.510 -0.225 0.000 2.039 22 c HN 1.255 9.485 8.230 0.000 0.000 0.470 23 G N -1.073 107.716 108.800 -0.018 0.000 2.770 23 G HA2 0.408 4.374 3.960 0.009 0.000 0.686 23 G HA3 0.408 4.374 3.960 0.009 0.000 0.686 23 G C -0.475 174.418 174.900 -0.011 0.000 1.180 23 G CA -0.456 44.647 45.100 0.005 0.000 0.767 23 G HN 1.148 9.438 8.290 0.000 0.000 0.646 24 A N 2.009 124.834 122.820 0.007 0.000 2.566 24 A HA 0.481 4.807 4.320 0.009 0.000 0.245 24 A C 1.481 179.065 177.584 0.001 0.000 1.056 24 A CA 1.142 53.187 52.037 0.014 0.000 0.757 24 A CB -0.203 18.812 19.000 0.027 0.000 0.979 24 A HN 2.062 10.213 8.150 0.000 0.000 0.508 25 N N 0.938 119.634 118.700 -0.006 0.000 2.708 25 N HA -0.199 4.547 4.740 0.009 0.000 0.251 25 N C 0.941 176.426 175.510 -0.041 0.000 1.123 25 N CA 1.708 54.746 53.050 -0.020 0.000 0.739 25 N CB -1.866 36.620 38.487 -0.000 0.000 1.113 25 N HN 1.086 9.466 8.380 0.000 0.000 0.561 26 T N -3.990 110.531 114.554 -0.055 0.000 3.088 26 T HA 0.175 4.531 4.350 0.009 0.000 0.259 26 T C 0.852 175.490 174.700 -0.103 0.000 1.122 26 T CA 0.573 62.643 62.100 -0.050 0.000 1.095 26 T CB 0.302 69.156 68.868 -0.023 0.000 0.930 26 T HN 0.042 8.282 8.240 0.000 0.000 0.508 27 V N 3.191 122.981 119.914 -0.207 0.000 2.271 27 V HA 0.308 4.433 4.120 0.009 0.000 0.259 27 V C -1.809 173.940 176.094 -0.576 0.000 1.030 27 V CA -1.611 60.417 62.300 -0.453 0.000 0.957 27 V CB 0.957 32.483 31.823 -0.495 0.000 1.186 27 V HN 0.171 8.361 8.190 0.000 0.000 0.471 28 P HA -0.118 4.302 4.420 0.000 0.000 0.225 28 P C 1.028 178.277 177.300 -0.085 0.000 1.148 28 P CA 1.128 64.148 63.100 -0.133 0.000 0.779 28 P CB -0.026 31.676 31.700 0.003 0.000 0.780 29 Y N -1.728 118.594 120.300 0.036 0.000 2.482 29 Y HA 0.378 4.933 4.550 0.008 0.000 0.270 29 Y C 1.051 176.985 175.900 0.058 0.000 1.152 29 Y CA -1.066 57.062 58.100 0.047 0.000 1.292 29 Y CB -1.256 37.228 38.460 0.039 0.000 1.070 29 Y HN -0.169 8.111 8.280 0.000 0.000 0.528 30 Q N 2.157 121.828 119.800 -0.215 0.000 2.297 30 Q HA 0.390 4.735 4.340 0.009 0.000 0.267 30 Q C -1.079 174.997 176.000 0.126 0.000 1.006 30 Q CA -0.128 55.643 55.803 -0.053 0.000 0.896 30 Q CB 0.984 29.583 28.738 -0.232 0.000 1.186 30 Q HN 0.256 8.526 8.270 0.000 0.000 0.392 31 V N 3.462 123.492 119.914 0.194 0.000 2.630 31 V HA 0.553 4.678 4.120 0.009 0.000 0.305 31 V C -0.384 175.895 176.094 0.308 0.000 1.046 31 V CA -0.701 61.724 62.300 0.208 0.000 0.934 31 V CB 1.985 33.888 31.823 0.134 0.000 1.003 31 V HN 0.844 9.034 8.190 0.000 0.000 0.451 32 S N 4.239 120.054 115.700 0.192 0.000 2.451 32 S HA 0.658 5.134 4.470 0.009 0.000 0.301 32 S C -0.841 173.713 174.600 -0.077 0.000 1.116 32 S CA -0.652 57.606 58.200 0.097 0.000 1.093 32 S CB 0.578 63.637 63.200 -0.236 0.000 1.017 32 S HN 0.542 8.852 8.310 0.000 0.000 0.482 33 L N 5.432 126.498 121.223 -0.261 0.000 2.257 33 L HA 0.493 4.839 4.340 0.009 0.000 0.290 33 L C 0.681 177.199 176.870 -0.587 0.000 1.044 33 L CA -0.595 53.943 54.840 -0.503 0.000 0.810 33 L CB 0.807 42.340 42.059 -0.877 0.000 1.193 33 L HN 0.675 8.905 8.230 0.000 0.000 0.425 38 G N 0.557 109.161 108.800 -0.327 0.000 2.218 38 G HA2 -0.077 3.889 3.960 0.009 0.000 0.216 38 G HA3 -0.077 3.889 3.960 0.009 0.000 0.216 38 G C -0.205 174.694 174.900 -0.001 0.000 0.994 38 G CA 0.572 45.590 45.100 -0.138 0.000 0.637 38 G HN 1.916 10.206 8.290 0.000 0.000 0.505 39 Y N -2.289 117.991 120.300 -0.033 0.000 2.641 39 Y HA 0.704 5.259 4.550 0.009 0.000 0.333 39 Y C -0.455 175.464 175.900 0.032 0.000 1.174 39 Y CA -1.426 56.663 58.100 -0.019 0.000 1.057 39 Y CB 0.186 38.633 38.460 -0.022 0.000 1.322 39 Y HN 0.399 8.679 8.280 0.000 0.000 0.457 40 H N 2.609 121.717 119.070 0.064 0.000 2.899 40 H HA 0.272 4.833 4.556 0.009 0.000 0.303 40 H C -0.079 175.364 175.328 0.191 0.000 1.042 40 H CA 0.204 56.233 56.048 -0.032 0.000 1.479 40 H CB 0.466 30.144 29.762 -0.140 0.000 1.493 40 H HN 0.668 8.948 8.280 0.000 0.000 0.534 41 F N 1.169 120.763 119.950 -0.593 0.000 2.747 41 F HA 0.424 4.957 4.527 0.010 0.000 0.305 41 F C -0.246 175.308 175.800 -0.409 0.000 1.065 41 F CA -0.631 57.173 58.000 -0.326 0.000 1.230 41 F CB 0.149 39.098 39.000 -0.085 0.000 1.027 41 F HN 0.433 8.733 8.300 0.000 0.000 0.607 42 c N 0.672 118.590 118.600 -1.137 0.000 3.288 42 c HA 0.774 5.350 4.570 0.009 0.000 0.318 42 c C 0.722 174.635 174.090 -0.295 0.000 1.356 42 c CA -0.554 55.439 56.329 -0.560 0.000 1.359 42 c CB 1.149 43.377 42.510 -0.471 0.000 1.688 42 c HN 0.689 8.919 8.230 0.000 0.000 0.467 43 G N -0.150 108.677 108.800 0.046 0.000 2.537 43 G HA2 0.784 4.750 3.960 0.009 0.000 0.297 43 G HA3 0.784 4.750 3.960 0.009 0.000 0.297 43 G C -0.210 174.728 174.900 0.062 0.000 1.310 43 G CA 0.249 45.461 45.100 0.187 0.000 1.027 43 G HN 1.439 9.729 8.290 0.000 0.000 0.505 44 G N -2.043 106.826 108.800 0.115 0.000 2.495 44 G HA2 0.513 4.479 3.960 0.009 0.000 0.294 44 G HA3 0.513 4.479 3.960 0.009 0.000 0.294 44 G C -1.407 173.582 174.900 0.149 0.000 1.397 44 G CA -0.295 44.863 45.100 0.098 0.000 0.790 44 G HN 0.874 9.164 8.290 0.000 0.000 0.486 45 S N -0.641 115.150 115.700 0.153 0.000 2.532 45 S HA 0.518 4.993 4.470 0.009 0.000 0.299 45 S C -0.842 173.861 174.600 0.172 0.000 1.105 45 S CA -0.487 57.832 58.200 0.200 0.000 1.018 45 S CB 1.706 65.010 63.200 0.174 0.000 1.021 45 S HN 0.716 9.026 8.310 0.000 0.000 0.483 46 L N 5.014 126.356 121.223 0.197 0.000 2.325 46 L HA 0.428 4.774 4.340 0.009 0.000 0.284 46 L C 0.619 177.574 176.870 0.143 0.000 1.089 46 L CA 0.227 55.166 54.840 0.164 0.000 0.836 46 L CB 0.003 42.158 42.059 0.161 0.000 1.184 46 L HN 0.814 9.044 8.230 0.000 0.000 0.444 47 I N 1.889 122.539 120.570 0.133 0.000 4.057 47 I HA 0.331 4.507 4.170 0.009 0.000 0.334 47 I C 0.232 176.404 176.117 0.093 0.000 1.308 47 I CA -0.160 61.195 61.300 0.092 0.000 1.125 47 I CB -0.299 37.743 38.000 0.070 0.000 1.034 47 I HN 0.704 8.914 8.210 0.000 0.000 0.401 48 N N 0.159 118.940 118.700 0.135 0.000 3.261 48 N HA 0.017 4.762 4.740 0.009 0.000 0.248 48 N C 0.218 175.810 175.510 0.135 0.000 1.498 48 N CA 0.081 53.207 53.050 0.126 0.000 0.884 48 N CB 0.774 39.337 38.487 0.127 0.000 1.428 48 N HN -0.053 8.327 8.380 0.000 0.000 0.517 49 S N -1.037 114.729 115.700 0.109 0.000 2.469 49 S HA -0.173 4.302 4.470 0.009 0.000 0.238 49 S C 1.043 175.678 174.600 0.059 0.000 0.998 49 S CA 1.165 59.411 58.200 0.077 0.000 0.957 49 S CB -0.357 62.877 63.200 0.057 0.000 0.764 49 S HN 0.617 8.927 8.310 0.000 0.000 0.514 50 Q N -1.271 118.582 119.800 0.088 0.000 2.164 50 Q HA 0.268 4.614 4.340 0.009 0.000 0.226 50 Q C -1.287 174.596 176.000 -0.195 0.000 0.813 50 Q CA -0.235 55.533 55.803 -0.058 0.000 0.978 50 Q CB 0.735 29.408 28.738 -0.108 0.000 1.149 50 Q HN 0.631 8.901 8.270 0.000 0.000 0.489 51 W N 0.235 121.539 121.300 0.007 0.000 2.785 51 W HA 0.527 5.193 4.660 0.009 0.000 0.333 51 W C -0.800 175.730 176.519 0.018 0.000 1.062 51 W CA -0.595 56.752 57.345 0.002 0.000 1.233 51 W CB 1.454 30.902 29.460 -0.019 0.000 1.413 51 W HN -0.360 7.820 8.180 0.000 0.000 0.489 52 V N 3.730 123.800 119.914 0.260 0.000 2.555 52 V HA 0.518 4.644 4.120 0.009 0.000 0.302 52 V C -0.822 175.387 176.094 0.191 0.000 1.038 52 V CA -1.174 61.233 62.300 0.179 0.000 0.887 52 V CB 1.776 33.663 31.823 0.105 0.000 0.991 52 V HN 0.319 8.509 8.190 0.000 0.000 0.434 53 V N 4.431 124.437 119.914 0.154 0.000 2.398 53 V HA 0.800 4.926 4.120 0.009 0.000 0.286 53 V C 0.016 176.174 176.094 0.106 0.000 1.026 53 V CA 0.491 62.874 62.300 0.138 0.000 0.868 53 V CB 1.815 33.715 31.823 0.128 0.000 0.982 53 V HN 1.012 9.202 8.190 0.000 0.000 0.443 54 S N 4.502 120.254 115.700 0.087 0.000 2.851 54 S HA 0.890 5.366 4.470 0.009 0.000 0.313 54 S C -0.386 174.213 174.600 -0.003 0.000 1.163 54 S CA -0.039 58.182 58.200 0.035 0.000 0.850 54 S CB 1.795 64.997 63.200 0.004 0.000 1.245 54 S HN 1.346 9.656 8.310 0.000 0.000 0.558 55 A N 0.677 123.451 122.820 -0.077 0.000 2.309 55 A HA 0.702 5.028 4.320 0.009 0.000 0.298 55 A C 1.132 178.587 177.584 -0.216 0.000 1.165 55 A CA 0.163 52.114 52.037 -0.143 0.000 0.821 55 A CB 0.330 19.186 19.000 -0.241 0.000 1.102 55 A HN 1.224 9.374 8.150 0.000 0.000 0.500 56 A N 1.495 124.142 122.820 -0.289 0.000 1.978 56 A HA -0.178 4.148 4.320 0.009 0.000 0.220 56 A C 1.747 179.083 177.584 -0.414 0.000 1.170 56 A CA 1.791 53.527 52.037 -0.502 0.000 0.636 56 A CB -0.963 17.346 19.000 -1.151 0.000 0.810 56 A HN 1.098 9.248 8.150 0.000 0.000 0.448 57 H N -2.126 116.792 119.070 -0.253 0.000 2.561 57 H HA -0.006 4.555 4.556 0.009 0.000 0.278 57 H C 1.229 176.620 175.328 0.105 0.000 1.014 57 H CA 1.200 57.268 56.048 0.033 0.000 1.211 57 H CB -0.631 29.218 29.762 0.144 0.000 1.365 57 H HN 0.404 8.684 8.280 0.000 0.000 0.594 58 c N 0.919 119.389 118.600 -0.217 0.000 2.697 58 c HA 0.077 4.653 4.570 0.009 0.000 0.267 58 c C 0.867 175.052 174.090 0.158 0.000 1.278 58 c CA -0.654 55.674 56.329 -0.002 0.000 1.708 58 c CB -2.182 40.278 42.510 -0.084 0.000 1.860 58 c HN 0.584 8.814 8.230 0.000 0.000 0.589 59 Y N 3.215 123.519 120.300 0.006 0.000 2.721 59 Y HA 0.190 4.745 4.550 0.009 0.000 0.329 59 Y C 0.454 176.344 175.900 -0.017 0.000 1.211 59 Y CA 1.112 59.220 58.100 0.014 0.000 1.512 59 Y CB 0.067 38.523 38.460 -0.006 0.000 1.249 59 Y HN 0.213 8.493 8.280 0.000 0.000 0.549 60 K N 3.898 123.816 120.400 -0.803 0.000 2.509 60 K HA 0.313 4.639 4.320 0.009 0.000 0.266 60 K C -1.155 174.936 176.600 -0.850 0.000 0.987 60 K CA -1.092 54.713 56.287 -0.803 0.000 0.868 60 K CB 2.170 34.255 32.500 -0.691 0.000 1.421 60 K HN 0.573 8.823 8.250 0.000 0.000 0.444 61 S N -0.692 114.673 115.700 -0.559 0.000 2.616 61 S HA 0.503 4.979 4.470 0.009 0.000 0.277 61 S C 0.470 174.931 174.600 -0.233 0.000 1.234 61 S CA 0.821 58.836 58.200 -0.309 0.000 1.028 61 S CB 0.636 63.734 63.200 -0.170 0.000 0.988 61 S HN 0.825 9.135 8.310 0.000 0.000 0.522 62 G N 3.326 112.034 108.800 -0.153 0.000 2.289 62 G HA2 -0.188 3.778 3.960 0.009 0.000 0.280 62 G HA3 -0.188 3.778 3.960 0.009 0.000 0.280 62 G C -0.094 174.732 174.900 -0.122 0.000 1.089 62 G CA 0.159 45.184 45.100 -0.125 0.000 0.939 62 G HN 0.756 9.046 8.290 0.000 0.000 0.499 63 I N -0.003 120.515 120.570 -0.088 0.000 2.441 63 I HA 0.245 4.420 4.170 0.009 0.000 0.287 63 I C 0.770 176.858 176.117 -0.048 0.000 1.049 63 I CA -0.052 61.234 61.300 -0.024 0.000 1.381 63 I CB 1.383 39.399 38.000 0.028 0.000 1.409 63 I HN 0.305 8.515 8.210 0.000 0.000 0.523 64 Q N 5.766 125.528 119.800 -0.063 0.000 2.325 64 Q HA 0.413 4.758 4.340 0.009 0.000 0.262 64 Q C -1.338 174.609 176.000 -0.088 0.000 0.968 64 Q CA -0.705 55.049 55.803 -0.082 0.000 0.877 64 Q CB 1.883 30.544 28.738 -0.128 0.000 1.253 64 Q HN 0.513 8.783 8.270 0.000 0.000 0.448 65 V N 5.175 125.061 119.914 -0.048 0.000 2.461 65 V HA 0.336 4.462 4.120 0.009 0.000 0.275 65 V C -0.004 176.102 176.094 0.020 0.000 1.047 65 V CA -0.228 62.056 62.300 -0.027 0.000 0.955 65 V CB 1.019 32.839 31.823 -0.005 0.000 0.988 65 V HN 0.716 8.906 8.190 0.000 0.000 0.471 66 R N 5.538 126.043 120.500 0.007 0.000 2.246 66 R HA 0.606 4.952 4.340 0.009 0.000 0.332 66 R C -0.814 175.573 176.300 0.145 0.000 0.974 66 R CA -0.456 55.709 56.100 0.108 0.000 0.837 66 R CB 1.137 31.394 30.300 -0.072 0.000 1.145 66 R HN 0.599 8.869 8.270 0.000 0.000 0.467 70 E N 0.404 120.704 120.200 0.167 0.000 2.343 70 E HA 0.382 4.738 4.350 0.009 0.000 0.269 70 E C 0.148 176.921 176.600 0.288 0.000 1.047 70 E CA -0.101 56.418 56.400 0.198 0.000 0.874 70 E CB 2.495 32.264 29.700 0.115 0.000 1.033 70 E HN 0.222 8.582 8.360 0.000 0.000 0.409 71 D N 0.548 121.094 120.400 0.244 0.000 3.163 71 D HA -0.063 4.583 4.640 0.009 0.000 0.228 71 D C -0.106 176.389 176.300 0.324 0.000 1.521 71 D CA -0.139 54.030 54.000 0.282 0.000 1.334 71 D CB 0.258 41.139 40.800 0.136 0.000 1.126 71 D HN 0.219 8.589 8.370 0.000 0.000 0.304 72 N N 1.389 120.188 118.700 0.164 0.000 2.402 72 N HA 0.067 4.813 4.740 0.009 0.000 0.252 72 N C 1.245 176.754 175.510 -0.002 0.000 1.118 72 N CA -0.032 53.079 53.050 0.102 0.000 0.945 72 N CB 0.590 39.118 38.487 0.069 0.000 1.147 72 N HN 0.447 8.827 8.380 0.000 0.000 0.495 73 I N 0.425 120.906 120.570 -0.149 0.000 3.176 73 I HA 0.014 4.190 4.170 0.009 0.000 0.275 73 I C 0.488 176.513 176.117 -0.153 0.000 1.298 73 I CA 0.615 61.734 61.300 -0.302 0.000 1.445 73 I CB -0.045 37.545 38.000 -0.684 0.000 1.075 73 I HN 0.189 8.399 8.210 0.000 0.000 0.482 74 N N 0.885 119.543 118.700 -0.071 0.000 2.250 74 N HA 0.183 4.929 4.740 0.009 0.000 0.190 74 N C 0.104 175.615 175.510 0.001 0.000 1.116 74 N CA 0.355 53.386 53.050 -0.031 0.000 0.881 74 N CB 1.759 40.237 38.487 -0.014 0.000 1.006 74 N HN 0.350 8.730 8.380 0.000 0.000 0.491 75 V N 0.343 120.266 119.914 0.015 0.000 2.656 75 V HA 0.429 4.554 4.120 0.009 0.000 0.307 75 V C -0.645 175.478 176.094 0.047 0.000 1.051 75 V CA -0.702 61.616 62.300 0.031 0.000 0.893 75 V CB 2.134 33.973 31.823 0.027 0.000 0.999 75 V HN -0.248 7.942 8.190 0.000 0.000 0.426 76 V N 6.671 126.616 119.914 0.051 0.000 2.397 76 V HA 0.287 4.412 4.120 0.009 0.000 0.262 76 V C 1.026 177.129 176.094 0.015 0.000 1.047 76 V CA 0.337 62.663 62.300 0.043 0.000 1.003 76 V CB 0.352 32.196 31.823 0.036 0.000 1.037 76 V HN 1.061 9.251 8.190 0.000 0.000 0.480 77 E N 3.464 123.672 120.200 0.013 0.000 2.460 77 E HA 0.278 4.634 4.350 0.009 0.000 0.200 77 E C 1.635 178.230 176.600 -0.008 0.000 1.011 77 E CA 0.625 57.031 56.400 0.009 0.000 0.912 77 E CB 0.784 30.498 29.700 0.024 0.000 0.953 77 E HN 0.991 9.351 8.360 0.000 0.000 0.494 78 G N 1.430 110.213 108.800 -0.029 0.000 2.284 78 G HA2 -0.178 3.787 3.960 0.009 0.000 0.201 78 G HA3 -0.178 3.787 3.960 0.009 0.000 0.201 78 G C 0.696 175.564 174.900 -0.054 0.000 0.998 78 G CA -0.181 44.894 45.100 -0.043 0.000 0.651 78 G HN 0.126 8.416 8.290 0.000 0.000 0.489 79 N N 0.960 119.634 118.700 -0.043 0.000 2.203 79 N HA 0.187 4.933 4.740 0.009 0.000 0.207 79 N C 0.026 175.501 175.510 -0.059 0.000 1.130 79 N CA 0.194 53.221 53.050 -0.039 0.000 0.861 79 N CB 0.702 39.184 38.487 -0.008 0.000 1.005 79 N HN 0.536 8.916 8.380 0.000 0.000 0.507 80 E N 1.147 121.278 120.200 -0.115 0.000 2.383 80 E HA 0.149 4.505 4.350 0.009 0.000 0.264 80 E C -0.166 176.270 176.600 -0.274 0.000 1.050 80 E CA 0.397 56.685 56.400 -0.187 0.000 0.896 80 E CB 0.756 30.232 29.700 -0.373 0.000 0.982 80 E HN 0.074 8.434 8.360 0.000 0.000 0.424 81 Q N 1.970 121.669 119.800 -0.168 0.000 2.309 81 Q HA 0.371 4.716 4.340 0.009 0.000 0.270 81 Q C -1.065 174.987 176.000 0.087 0.000 1.023 81 Q CA -0.235 55.493 55.803 -0.124 0.000 0.758 81 Q CB 1.425 30.147 28.738 -0.028 0.000 1.247 81 Q HN 0.499 8.769 8.270 0.000 0.000 0.455 82 F N 4.145 124.080 119.950 -0.024 0.000 2.361 82 F HA 0.537 5.070 4.527 0.009 0.000 0.364 82 F C 0.039 175.819 175.800 -0.034 0.000 1.117 82 F CA -0.910 57.070 58.000 -0.032 0.000 1.071 82 F CB 0.904 39.882 39.000 -0.036 0.000 1.188 82 F HN 0.276 8.576 8.300 0.000 0.000 0.464 83 I N 2.299 122.956 120.570 0.146 0.000 2.466 83 I HA 0.238 4.414 4.170 0.009 0.000 0.289 83 I C -0.243 175.881 176.117 0.012 0.000 1.026 83 I CA -0.610 60.722 61.300 0.054 0.000 1.078 83 I CB 2.049 40.063 38.000 0.024 0.000 1.249 83 I HN 0.403 8.613 8.210 0.000 0.000 0.429 84 S N 3.658 119.354 115.700 -0.007 0.000 2.585 84 S HA 0.461 4.937 4.470 0.009 0.000 0.273 84 S C 0.355 174.923 174.600 -0.053 0.000 1.339 84 S CA -0.680 57.500 58.200 -0.033 0.000 1.028 84 S CB 1.209 64.389 63.200 -0.034 0.000 0.906 84 S HN 0.708 9.018 8.310 0.000 0.000 0.528 85 A N 1.547 124.332 122.820 -0.059 0.000 2.409 85 A HA 0.403 4.729 4.320 0.009 0.000 0.262 85 A C 1.282 178.818 177.584 -0.080 0.000 1.113 85 A CA -0.344 51.647 52.037 -0.077 0.000 0.790 85 A CB 0.381 19.348 19.000 -0.055 0.000 1.046 85 A HN 0.782 8.932 8.150 0.000 0.000 0.496 86 S N 1.510 117.141 115.700 -0.114 0.000 2.388 86 S HA 0.093 4.569 4.470 0.009 0.000 0.223 86 S C 0.779 175.334 174.600 -0.075 0.000 1.034 86 S CA 1.231 59.372 58.200 -0.100 0.000 0.963 86 S CB -0.213 62.901 63.200 -0.143 0.000 0.827 86 S HN 0.764 9.074 8.310 0.000 0.000 0.481 87 K N 0.195 120.538 120.400 -0.095 0.000 2.542 87 K HA 0.450 4.776 4.320 0.009 0.000 0.259 87 K C -1.854 174.749 176.600 0.005 0.000 0.932 87 K CA -0.428 55.839 56.287 -0.033 0.000 0.820 87 K CB 1.966 34.440 32.500 -0.043 0.000 1.345 87 K HN 0.079 8.329 8.250 0.000 0.000 0.432 88 S N 4.103 119.860 115.700 0.096 0.000 2.532 88 S HA 0.640 5.115 4.470 0.009 0.000 0.299 88 S C -1.090 173.626 174.600 0.192 0.000 1.105 88 S CA -0.717 57.584 58.200 0.169 0.000 1.018 88 S CB 0.592 63.933 63.200 0.236 0.000 1.021 88 S HN 0.504 8.814 8.310 0.000 0.000 0.483 89 I N 4.747 125.450 120.570 0.221 0.000 2.448 89 I HA 0.354 4.530 4.170 0.009 0.000 0.281 89 I C -0.575 175.699 176.117 0.262 0.000 1.027 89 I CA -0.848 60.587 61.300 0.225 0.000 1.111 89 I CB 1.825 39.977 38.000 0.253 0.000 1.236 89 I HN 0.285 8.495 8.210 0.000 0.000 0.452 90 V N 5.115 125.114 119.914 0.142 0.000 2.583 90 V HA 0.088 4.213 4.120 0.009 0.000 0.287 90 V C 0.749 176.915 176.094 0.120 0.000 1.051 90 V CA -0.461 61.890 62.300 0.085 0.000 1.010 90 V CB 0.919 32.696 31.823 -0.078 0.000 0.988 90 V HN 0.623 8.813 8.190 0.000 0.000 0.478 91 H N 7.686 126.706 119.070 -0.084 0.000 3.167 91 H HA -0.013 4.550 4.556 0.011 0.000 0.306 91 H C -1.516 173.713 175.328 -0.164 0.000 0.965 91 H CA -0.833 54.970 56.048 -0.407 0.000 1.408 91 H CB 1.443 30.829 29.762 -0.628 0.000 1.406 91 H HN 0.417 8.697 8.280 0.000 0.000 0.576 92 P HA -0.102 4.318 4.420 0.000 0.000 0.218 92 P C 0.610 177.896 177.300 -0.024 0.000 1.146 92 P CA 1.132 64.113 63.100 -0.199 0.000 0.813 92 P CB 0.370 31.933 31.700 -0.228 0.000 0.778 93 S N -2.482 113.318 115.700 0.167 0.000 2.602 93 S HA 0.114 4.589 4.470 0.009 0.000 0.240 93 S C 0.100 174.817 174.600 0.196 0.000 0.992 93 S CA -0.636 57.684 58.200 0.201 0.000 0.971 93 S CB -0.846 62.474 63.200 0.200 0.000 0.855 93 S HN 0.180 8.490 8.310 0.000 0.000 0.481 94 Y N 3.503 123.854 120.300 0.086 0.000 2.632 94 Y HA 0.089 4.644 4.550 0.008 0.000 0.329 94 Y C 0.306 176.199 175.900 -0.013 0.000 1.174 94 Y CA 0.185 58.289 58.100 0.007 0.000 1.469 94 Y CB 0.264 38.724 38.460 0.001 0.000 1.242 94 Y HN 0.091 8.371 8.280 0.000 0.000 0.540 95 N N 4.212 122.577 118.700 -0.558 0.000 2.511 95 N HA 0.025 4.771 4.740 0.009 0.000 0.249 95 N C 0.351 175.347 175.510 -0.856 0.000 0.971 95 N CA 0.248 52.942 53.050 -0.593 0.000 0.938 95 N CB 1.372 39.691 38.487 -0.281 0.000 1.131 95 N HN 0.851 9.231 8.380 0.000 0.000 0.505 96 S N 2.747 117.901 115.700 -0.909 0.000 2.474 96 S HA -0.069 4.407 4.470 0.009 0.000 0.235 96 S C 1.134 175.547 174.600 -0.311 0.000 0.997 96 S CA 0.786 58.628 58.200 -0.597 0.000 0.949 96 S CB -0.154 62.890 63.200 -0.261 0.000 0.766 96 S HN 0.619 8.929 8.310 0.000 0.000 0.517 97 N N 1.193 119.720 118.700 -0.289 0.000 2.290 97 N HA -0.015 4.731 4.740 0.009 0.000 0.179 97 N C 1.755 177.102 175.510 -0.273 0.000 1.016 97 N CA 1.445 54.358 53.050 -0.227 0.000 0.871 97 N CB -0.097 38.285 38.487 -0.176 0.000 0.987 97 N HN 0.722 9.102 8.380 0.000 0.000 0.431 98 T N -1.671 112.713 114.554 -0.284 0.000 3.044 98 T HA 0.237 4.592 4.350 0.009 0.000 0.250 98 T C 0.919 175.402 174.700 -0.361 0.000 1.081 98 T CA -0.130 61.790 62.100 -0.300 0.000 1.040 98 T CB 0.011 68.762 68.868 -0.195 0.000 0.962 98 T HN 0.141 8.381 8.240 0.000 0.000 0.506 99 L N 0.557 121.599 121.223 -0.302 0.000 4.429 99 L HA -0.197 4.149 4.340 0.009 0.000 0.422 99 L C 0.404 177.286 176.870 0.021 0.000 1.149 99 L CA 0.299 55.060 54.840 -0.131 0.000 0.972 99 L CB -2.363 39.522 42.059 -0.289 0.000 2.059 99 L HN 0.588 8.818 8.230 0.000 0.000 0.870 100 N N 1.199 119.875 118.700 -0.041 0.000 2.492 100 N HA 0.098 4.844 4.740 0.009 0.000 0.262 100 N C 0.547 176.098 175.510 0.068 0.000 1.202 100 N CA 0.553 53.620 53.050 0.027 0.000 0.926 100 N CB 0.247 38.726 38.487 -0.013 0.000 1.078 100 N HN 0.348 8.728 8.380 0.000 0.000 0.454 101 N N 1.135 119.870 118.700 0.059 0.000 2.783 101 N HA -0.198 4.547 4.740 0.009 0.000 0.247 101 N C -1.452 174.011 175.510 -0.079 0.000 1.089 101 N CA 0.331 53.311 53.050 -0.117 0.000 0.690 101 N CB -0.875 37.446 38.487 -0.276 0.000 0.991 101 N HN 0.611 8.991 8.380 0.000 0.000 0.552 102 D N 1.196 121.617 120.400 0.036 0.000 2.600 102 D HA 0.317 4.962 4.640 0.009 0.000 0.226 102 D C -0.398 175.819 176.300 -0.138 0.000 1.119 102 D CA 0.288 54.313 54.000 0.042 0.000 1.051 102 D CB -0.029 40.906 40.800 0.225 0.000 1.106 102 D HN 0.479 8.849 8.370 0.000 0.000 0.491 103 I N 1.787 122.201 120.570 -0.260 0.000 2.752 103 I HA 0.410 4.586 4.170 0.009 0.000 0.295 103 I C -1.748 174.338 176.117 -0.051 0.000 1.219 103 I CA -0.913 60.269 61.300 -0.197 0.000 1.030 103 I CB 1.731 39.488 38.000 -0.405 0.000 1.259 103 I HN 0.096 8.306 8.210 0.000 0.000 0.423 104 M N 7.073 126.723 119.600 0.083 0.000 2.433 104 M HA 0.513 4.999 4.480 0.009 0.000 0.290 104 M C -2.272 174.179 176.300 0.250 0.000 1.173 104 M CA -0.733 54.681 55.300 0.190 0.000 0.905 104 M CB 2.000 34.649 32.600 0.081 0.000 1.692 104 M HN 0.432 8.722 8.290 0.000 0.000 0.462 105 L N 4.926 126.330 121.223 0.301 0.000 2.317 105 L HA 0.633 4.978 4.340 0.009 0.000 0.281 105 L C -0.905 176.151 176.870 0.310 0.000 1.024 105 L CA -0.287 54.726 54.840 0.288 0.000 0.810 105 L CB 1.680 43.858 42.059 0.199 0.000 1.240 105 L HN 0.643 8.873 8.230 0.000 0.000 0.427 106 I N 3.254 123.989 120.570 0.276 0.000 2.439 106 I HA 0.334 4.510 4.170 0.009 0.000 0.285 106 I C -0.073 175.967 176.117 -0.127 0.000 1.021 106 I CA -0.706 60.649 61.300 0.093 0.000 1.091 106 I CB 1.663 39.698 38.000 0.059 0.000 1.242 106 I HN 0.481 8.691 8.210 0.000 0.000 0.439 107 K N 7.038 127.139 120.400 -0.497 0.000 2.234 107 K HA 0.526 4.852 4.320 0.009 0.000 0.282 107 K C -0.724 175.582 176.600 -0.490 0.000 1.039 107 K CA -0.544 55.143 56.287 -1.000 0.000 0.928 107 K CB 0.936 32.597 32.500 -1.399 0.000 1.039 107 K HN 0.549 8.799 8.250 0.000 0.000 0.470 108 L N 4.816 125.789 121.223 -0.417 0.000 2.397 108 L HA 0.124 4.469 4.340 0.009 0.000 0.271 108 L C 1.456 178.207 176.870 -0.199 0.000 1.148 108 L CA -0.160 54.546 54.840 -0.223 0.000 0.825 108 L CB 0.749 42.719 42.059 -0.147 0.000 1.117 108 L HN 0.724 8.954 8.230 0.000 0.000 0.456 109 K N 0.627 120.951 120.400 -0.127 0.000 2.147 109 K HA -0.036 4.290 4.320 0.009 0.000 0.205 109 K C 0.151 176.705 176.600 -0.078 0.000 1.049 109 K CA 0.912 57.143 56.287 -0.095 0.000 0.936 109 K CB 0.090 32.554 32.500 -0.061 0.000 0.722 109 K HN 0.575 8.825 8.250 0.000 0.000 0.446 110 S N -0.831 114.828 115.700 -0.068 0.000 2.569 110 S HA 0.512 4.988 4.470 0.009 0.000 0.280 110 S C -1.121 173.451 174.600 -0.047 0.000 1.111 110 S CA -1.052 57.119 58.200 -0.049 0.000 0.887 110 S CB 2.065 65.247 63.200 -0.029 0.000 1.095 110 S HN 0.260 8.570 8.310 0.000 0.000 0.476 111 A N 1.471 124.272 122.820 -0.031 0.000 2.450 111 A HA 0.641 4.967 4.320 0.009 0.000 0.255 111 A C 0.583 178.165 177.584 -0.004 0.000 1.096 111 A CA -0.213 51.816 52.037 -0.015 0.000 0.778 111 A CB -0.325 18.676 19.000 0.002 0.000 1.031 111 A HN 1.111 9.261 8.150 0.000 0.000 0.494 112 A N 2.621 125.444 122.820 0.006 0.000 2.445 112 A HA 0.480 4.806 4.320 0.009 0.000 0.242 112 A C 0.685 178.278 177.584 0.015 0.000 1.075 112 A CA -0.021 52.024 52.037 0.014 0.000 0.777 112 A CB -0.064 18.954 19.000 0.030 0.000 1.013 112 A HN 0.995 9.145 8.150 0.000 0.000 0.493 113 S N 1.957 117.662 115.700 0.009 0.000 2.400 113 S HA 0.359 4.835 4.470 0.009 0.000 0.295 113 S C -0.200 174.409 174.600 0.016 0.000 1.113 113 S CA -0.259 57.946 58.200 0.008 0.000 1.064 113 S CB -0.172 63.027 63.200 -0.003 0.000 0.990 113 S HN 0.489 8.799 8.310 0.000 0.000 0.502 114 L N 5.303 126.540 121.223 0.023 0.000 2.281 114 L HA 0.380 4.726 4.340 0.009 0.000 0.285 114 L C 0.552 177.437 176.870 0.025 0.000 1.074 114 L CA -0.518 54.340 54.840 0.030 0.000 0.817 114 L CB 0.060 42.142 42.059 0.039 0.000 1.168 114 L HN 0.633 8.863 8.230 0.000 0.000 0.434 115 N N 0.633 119.348 118.700 0.025 0.000 3.201 115 N HA 0.217 4.962 4.740 0.009 0.000 0.344 115 N C 0.658 176.184 175.510 0.026 0.000 1.465 115 N CA -0.258 52.804 53.050 0.021 0.000 0.731 115 N CB 0.487 38.981 38.487 0.012 0.000 1.677 115 N HN 0.324 8.704 8.380 0.000 0.000 0.631 116 S N -0.506 115.206 115.700 0.021 0.000 2.419 116 S HA -0.068 4.408 4.470 0.009 0.000 0.233 116 S C 1.432 176.046 174.600 0.023 0.000 1.016 116 S CA 0.693 58.907 58.200 0.024 0.000 0.974 116 S CB -0.344 62.867 63.200 0.018 0.000 0.786 116 S HN 0.576 8.886 8.310 0.000 0.000 0.492 117 R N 0.136 120.646 120.500 0.017 0.000 2.223 117 R HA 0.295 4.640 4.340 0.009 0.000 0.198 117 R C -0.506 175.803 176.300 0.016 0.000 0.984 117 R CA 0.335 56.443 56.100 0.012 0.000 1.018 117 R CB 0.369 30.674 30.300 0.008 0.000 0.945 117 R HN 0.272 8.542 8.270 0.000 0.000 0.479 118 V N 1.242 121.172 119.914 0.026 0.000 2.357 118 V HA 0.556 4.681 4.120 0.009 0.000 0.281 118 V C -0.601 175.527 176.094 0.057 0.000 1.015 118 V CA -0.716 61.608 62.300 0.040 0.000 0.827 118 V CB 1.220 33.064 31.823 0.036 0.000 1.018 118 V HN 0.180 8.370 8.190 0.000 0.000 0.432 119 A N 3.492 126.362 122.820 0.082 0.000 2.430 119 A HA 0.971 5.297 4.320 0.009 0.000 0.300 119 A C 0.058 177.729 177.584 0.145 0.000 1.124 119 A CA -0.430 51.669 52.037 0.103 0.000 0.766 119 A CB 1.970 21.036 19.000 0.109 0.000 1.328 119 A HN 0.889 9.039 8.150 0.000 0.000 0.424 120 S N -0.103 115.669 115.700 0.120 0.000 2.646 120 S HA 0.666 5.142 4.470 0.009 0.000 0.276 120 S C -0.300 174.356 174.600 0.094 0.000 1.222 120 S CA -0.353 57.919 58.200 0.120 0.000 1.014 120 S CB 0.968 64.218 63.200 0.083 0.000 0.991 120 S HN 1.012 9.322 8.310 0.000 0.000 0.533 121 I N 1.510 122.097 120.570 0.029 0.000 2.412 121 I HA 0.430 4.606 4.170 0.009 0.000 0.296 121 I C -0.021 176.045 176.117 -0.086 0.000 0.987 121 I CA -0.117 61.102 61.300 -0.135 0.000 1.180 121 I CB 1.695 39.407 38.000 -0.479 0.000 1.340 121 I HN 0.802 9.012 8.210 0.000 0.000 0.455 122 S N 6.623 122.273 115.700 -0.085 0.000 2.576 122 S HA 0.346 4.822 4.470 0.009 0.000 0.276 122 S C -0.286 174.283 174.600 -0.051 0.000 1.339 122 S CA -0.501 57.669 58.200 -0.050 0.000 1.039 122 S CB 0.460 63.636 63.200 -0.039 0.000 0.902 122 S HN 0.423 8.733 8.310 0.000 0.000 0.516 123 L N 4.284 125.492 121.223 -0.026 0.000 2.397 123 L HA 0.391 4.737 4.340 0.009 0.000 0.271 123 L C -1.919 174.945 176.870 -0.009 0.000 1.148 123 L CA -1.932 52.904 54.840 -0.008 0.000 0.825 123 L CB -0.416 41.644 42.059 0.001 0.000 1.117 123 L HN 0.390 8.620 8.230 0.000 0.000 0.456 124 P HA 0.228 4.648 4.420 0.000 0.000 0.274 124 P C -0.527 176.770 177.300 -0.004 0.000 1.237 124 P CA -0.422 62.674 63.100 -0.007 0.000 0.793 124 P CB 0.383 32.081 31.700 -0.003 0.000 0.977 128 c N 2.491 121.064 118.600 -0.044 0.000 2.527 128 c HA 0.810 5.385 4.570 0.009 0.000 0.396 128 c C 1.438 175.469 174.090 -0.099 0.000 1.289 128 c CA 0.147 56.436 56.329 -0.066 0.000 2.047 128 c CB -0.388 42.087 42.510 -0.059 0.000 2.568 128 c HN 1.093 9.323 8.230 0.000 0.000 0.573 129 A N 4.019 126.749 122.820 -0.150 0.000 2.388 129 A HA 0.543 4.869 4.320 0.009 0.000 0.257 129 A C 0.497 177.962 177.584 -0.199 0.000 1.095 129 A CA 0.030 51.962 52.037 -0.176 0.000 0.791 129 A CB 0.268 19.136 19.000 -0.220 0.000 1.029 129 A HN 0.901 9.051 8.150 0.000 0.000 0.489 133 G N 0.774 109.534 108.800 -0.067 0.000 2.232 133 G HA2 -0.073 3.892 3.960 0.009 0.000 0.226 133 G HA3 -0.073 3.892 3.960 0.009 0.000 0.226 133 G C 0.477 175.341 174.900 -0.059 0.000 0.996 133 G CA 0.453 45.521 45.100 -0.054 0.000 0.626 133 G HN 1.693 9.983 8.290 0.000 0.000 0.509 134 T N 1.962 116.467 114.554 -0.080 0.000 2.853 134 T HA 0.402 4.758 4.350 0.009 0.000 0.298 134 T C 0.328 174.982 174.700 -0.076 0.000 0.978 134 T CA 0.409 62.460 62.100 -0.081 0.000 1.152 134 T CB 1.499 70.301 68.868 -0.110 0.000 0.914 134 T HN 0.460 8.700 8.240 0.000 0.000 0.539 135 Q N 2.040 121.810 119.800 -0.050 0.000 2.288 135 Q HA 0.365 4.710 4.340 0.009 0.000 0.258 135 Q C -0.992 174.990 176.000 -0.030 0.000 0.957 135 Q CA -0.470 55.314 55.803 -0.032 0.000 0.919 135 Q CB 0.345 29.081 28.738 -0.004 0.000 1.185 135 Q HN 0.773 9.043 8.270 0.000 0.000 0.408 136 c N 3.050 121.632 118.600 -0.029 0.000 2.848 136 c HA 0.635 5.211 4.570 0.009 0.000 0.317 136 c C -0.942 173.152 174.090 0.006 0.000 1.260 136 c CA -0.977 55.337 56.329 -0.026 0.000 1.656 136 c CB 1.278 43.753 42.510 -0.059 0.000 2.174 136 c HN 0.833 9.063 8.230 0.000 0.000 0.479 137 L N 2.178 123.412 121.223 0.019 0.000 2.305 137 L HA 0.718 5.064 4.340 0.009 0.000 0.284 137 L C -0.866 176.015 176.870 0.019 0.000 1.013 137 L CA -0.057 54.809 54.840 0.043 0.000 0.819 137 L CB 0.473 42.581 42.059 0.082 0.000 1.227 137 L HN 0.582 8.812 8.230 0.000 0.000 0.417 138 I N 4.294 124.859 120.570 -0.008 0.000 2.404 138 I HA 0.630 4.806 4.170 0.009 0.000 0.293 138 I C -0.284 175.799 176.117 -0.056 0.000 0.992 138 I CA -0.301 60.986 61.300 -0.022 0.000 1.149 138 I CB 1.916 39.900 38.000 -0.028 0.000 1.315 138 I HN 0.734 8.944 8.210 0.000 0.000 0.446 139 S N 3.418 119.078 115.700 -0.066 0.000 2.588 139 S HA 1.011 5.487 4.470 0.009 0.000 0.275 139 S C -0.517 173.964 174.600 -0.199 0.000 1.130 139 S CA -0.719 57.370 58.200 -0.184 0.000 0.855 139 S CB 2.483 65.534 63.200 -0.248 0.000 1.116 139 S HN 1.113 9.423 8.310 0.000 0.000 0.472 140 G N -0.198 108.397 108.800 -0.341 0.000 2.313 140 G HA2 0.380 4.345 3.960 0.009 0.000 0.296 140 G HA3 0.380 4.345 3.960 0.009 0.000 0.296 140 G C -1.405 173.268 174.900 -0.379 0.000 1.356 140 G CA -0.792 44.115 45.100 -0.321 0.000 0.833 140 G HN 0.638 8.928 8.290 0.000 0.000 0.552 141 W N 1.202 122.462 121.300 -0.066 0.000 3.102 141 W HA 0.394 5.062 4.660 0.013 0.000 0.401 141 W C 1.083 177.628 176.519 0.044 0.000 1.070 141 W CA -0.099 57.178 57.345 -0.113 0.000 1.921 141 W CB 0.779 29.983 29.460 -0.427 0.000 1.118 141 W HN 0.798 8.978 8.180 0.000 0.000 0.647 142 G N 1.222 110.157 108.800 0.224 0.000 2.651 142 G HA2 -0.063 3.903 3.960 0.009 0.000 0.260 142 G HA3 -0.063 3.903 3.960 0.009 0.000 0.260 142 G C -0.008 174.804 174.900 -0.147 0.000 1.216 142 G CA -0.422 44.777 45.100 0.165 0.000 0.913 142 G HN -0.016 8.274 8.290 0.000 0.000 0.535 143 N N -0.877 117.539 118.700 -0.474 0.000 2.357 143 N HA -0.011 4.735 4.740 0.009 0.000 0.257 143 N C 1.522 176.873 175.510 -0.266 0.000 1.250 143 N CA 0.825 53.472 53.050 -0.672 0.000 0.862 143 N CB 0.872 39.010 38.487 -0.582 0.000 1.066 143 N HN 0.467 8.847 8.380 0.000 0.000 0.468 144 T N -0.635 113.790 114.554 -0.214 0.000 3.086 144 T HA 0.223 4.579 4.350 0.009 0.000 0.250 144 T C 0.089 174.750 174.700 -0.066 0.000 1.074 144 T CA 0.090 62.130 62.100 -0.100 0.000 0.988 144 T CB 0.104 68.933 68.868 -0.066 0.000 0.988 144 T HN 0.193 8.433 8.240 0.000 0.000 0.530 145 K N 1.813 122.167 120.400 -0.077 0.000 2.270 145 K HA 0.464 4.790 4.320 0.009 0.000 0.255 145 K C 0.979 177.566 176.600 -0.023 0.000 0.936 145 K CA -0.311 55.954 56.287 -0.037 0.000 0.809 145 K CB 1.919 34.405 32.500 -0.024 0.000 1.131 145 K HN 0.192 8.442 8.250 0.000 0.000 0.427 146 S N -0.082 115.615 115.700 -0.004 0.000 2.470 146 S HA 0.049 4.524 4.470 0.009 0.000 0.225 146 S C 0.400 175.008 174.600 0.015 0.000 1.006 146 S CA 0.165 58.371 58.200 0.009 0.000 0.934 146 S CB 0.180 63.389 63.200 0.015 0.000 0.778 146 S HN 0.360 8.670 8.310 0.000 0.000 0.517 147 S N 0.902 116.609 115.700 0.012 0.000 2.707 147 S HA 0.725 5.201 4.470 0.009 0.000 0.303 147 S C 0.137 174.748 174.600 0.017 0.000 1.132 147 S CA -0.302 57.908 58.200 0.017 0.000 1.046 147 S CB 1.101 64.310 63.200 0.016 0.000 1.004 147 S HN 1.135 9.445 8.310 0.000 0.000 0.483 148 G N 2.361 111.175 108.800 0.025 0.000 2.698 148 G HA2 -0.082 3.884 3.960 0.009 0.000 0.225 148 G HA3 -0.082 3.884 3.960 0.009 0.000 0.225 148 G C -0.774 174.146 174.900 0.033 0.000 1.345 148 G CA -0.714 44.405 45.100 0.032 0.000 0.871 148 G HN 0.790 9.080 8.290 0.000 0.000 0.540 149 T N 0.201 114.787 114.554 0.052 0.000 2.840 149 T HA 0.683 5.039 4.350 0.009 0.000 0.287 149 T C -0.359 174.392 174.700 0.085 0.000 0.991 149 T CA 0.360 62.513 62.100 0.087 0.000 0.964 149 T CB 1.572 70.540 68.868 0.168 0.000 0.954 149 T HN 1.527 9.767 8.240 0.000 0.000 0.438 150 S N 3.060 118.768 115.700 0.014 0.000 2.536 150 S HA 0.440 4.916 4.470 0.009 0.000 0.246 150 S C -1.625 172.953 174.600 -0.035 0.000 1.077 150 S CA -0.611 57.618 58.200 0.047 0.000 1.091 150 S CB 0.245 63.457 63.200 0.020 0.000 1.148 150 S HN 0.586 8.896 8.310 0.000 0.000 0.447 151 Y N 4.538 124.873 120.300 0.059 0.000 2.326 151 Y HA 0.458 5.015 4.550 0.011 0.000 0.337 151 Y C -1.673 174.271 175.900 0.074 0.000 1.023 151 Y CA -1.569 56.578 58.100 0.078 0.000 1.143 151 Y CB 0.948 39.461 38.460 0.088 0.000 1.183 151 Y HN 0.486 8.766 8.280 0.000 0.000 0.485 152 P HA 0.118 4.538 4.420 0.000 0.000 0.277 152 P C -0.375 177.047 177.300 0.203 0.000 1.240 152 P CA -0.256 62.935 63.100 0.151 0.000 0.798 152 P CB 1.369 33.136 31.700 0.111 0.000 0.979 153 D N -0.475 120.021 120.400 0.159 0.000 2.327 153 D HA 0.022 4.667 4.640 0.009 0.000 0.205 153 D C 0.726 177.172 176.300 0.243 0.000 0.989 153 D CA 0.688 54.773 54.000 0.141 0.000 0.873 153 D CB 0.278 41.124 40.800 0.077 0.000 0.955 153 D HN 0.253 8.623 8.370 0.000 0.000 0.515 154 V N -1.323 118.742 119.914 0.251 0.000 2.850 154 V HA 0.384 4.510 4.120 0.009 0.000 0.315 154 V C 0.235 176.387 176.094 0.096 0.000 1.064 154 V CA -1.146 61.308 62.300 0.256 0.000 0.979 154 V CB 2.179 34.069 31.823 0.113 0.000 1.039 154 V HN -0.109 8.081 8.190 0.000 0.000 0.452 155 L N 3.156 124.313 121.223 -0.110 0.000 2.513 155 L HA 0.294 4.640 4.340 0.009 0.000 0.272 155 L C 0.140 176.762 176.870 -0.414 0.000 1.187 155 L CA 0.192 54.640 54.840 -0.653 0.000 0.895 155 L CB 0.504 42.211 42.059 -0.586 0.000 1.147 155 L HN 0.759 8.989 8.230 0.000 0.000 0.483 156 K N 3.710 123.841 120.400 -0.448 0.000 2.164 156 K HA 0.449 4.774 4.320 0.009 0.000 0.258 156 K C -0.948 175.404 176.600 -0.414 0.000 0.951 156 K CA -0.436 55.643 56.287 -0.346 0.000 0.844 156 K CB 1.995 34.360 32.500 -0.224 0.000 1.099 156 K HN 0.557 8.807 8.250 0.000 0.000 0.435 157 c N 1.972 120.232 118.600 -0.565 0.000 2.614 157 c HA 0.681 5.257 4.570 0.009 0.000 0.320 157 c C -0.976 172.794 174.090 -0.534 0.000 1.200 157 c CA -0.800 55.145 56.329 -0.639 0.000 1.700 157 c CB 1.312 43.241 42.510 -0.968 0.000 2.275 157 c HN 0.734 8.964 8.230 0.000 0.000 0.492 158 L N 2.604 123.710 121.223 -0.194 0.000 2.505 158 L HA 0.484 4.830 4.340 0.009 0.000 0.266 158 L C -0.977 175.978 176.870 0.141 0.000 0.954 158 L CA -0.198 54.676 54.840 0.056 0.000 0.852 158 L CB 1.132 43.227 42.059 0.060 0.000 1.282 158 L HN 0.629 8.859 8.230 0.000 0.000 0.403 159 K N 4.130 124.677 120.400 0.246 0.000 2.248 159 K HA 0.854 5.179 4.320 0.009 0.000 0.281 159 K C -0.814 175.903 176.600 0.195 0.000 1.054 159 K CA -0.304 56.093 56.287 0.183 0.000 0.903 159 K CB 1.520 34.125 32.500 0.174 0.000 1.077 159 K HN 0.700 8.950 8.250 0.000 0.000 0.474 160 A N 4.461 127.330 122.820 0.082 0.000 2.486 160 A HA 0.591 4.916 4.320 0.009 0.000 0.300 160 A C -2.783 174.728 177.584 -0.121 0.000 1.048 160 A CA -1.724 50.284 52.037 -0.048 0.000 0.696 160 A CB 1.252 20.212 19.000 -0.067 0.000 1.278 160 A HN 0.388 8.538 8.150 0.000 0.000 0.405 161 P HA 0.381 4.801 4.420 0.000 0.000 0.278 161 P C -0.514 176.713 177.300 -0.122 0.000 1.238 161 P CA -0.064 62.946 63.100 -0.150 0.000 0.794 161 P CB 0.500 32.104 31.700 -0.160 0.000 0.955 162 I N 2.715 123.228 120.570 -0.094 0.000 2.452 162 I HA 0.073 4.249 4.170 0.009 0.000 0.287 162 I C 0.903 176.997 176.117 -0.038 0.000 1.079 162 I CA -0.181 61.084 61.300 -0.058 0.000 1.387 162 I CB -0.082 37.794 38.000 -0.206 0.000 1.404 162 I HN 0.113 8.323 8.210 0.000 0.000 0.522 163 L N 5.468 126.704 121.223 0.022 0.000 2.439 163 L HA 0.243 4.588 4.340 0.009 0.000 0.261 163 L C 0.877 177.762 176.870 0.026 0.000 1.153 163 L CA -0.495 54.354 54.840 0.015 0.000 0.808 163 L CB 0.910 42.990 42.059 0.035 0.000 1.126 163 L HN 0.685 8.915 8.230 0.000 0.000 0.460 164 S N -0.977 114.732 115.700 0.015 0.000 2.572 164 S HA -0.064 4.412 4.470 0.009 0.000 0.279 164 S C 0.843 175.468 174.600 0.042 0.000 1.341 164 S CA -0.507 57.704 58.200 0.018 0.000 1.043 164 S CB 0.995 64.202 63.200 0.010 0.000 0.887 164 S HN 0.806 9.116 8.310 0.000 0.000 0.516 165 D N 2.212 122.637 120.400 0.042 0.000 2.149 165 D HA -0.177 4.468 4.640 0.009 0.000 0.194 165 D C 1.643 177.974 176.300 0.053 0.000 1.001 165 D CA 1.980 56.014 54.000 0.056 0.000 0.849 165 D CB -0.343 40.483 40.800 0.042 0.000 0.939 165 D HN 0.619 8.989 8.370 0.000 0.000 0.449 166 S N -0.066 115.657 115.700 0.037 0.000 2.348 166 S HA -0.180 4.296 4.470 0.009 0.000 0.221 166 S C 2.230 176.850 174.600 0.033 0.000 1.033 166 S CA 1.807 60.026 58.200 0.032 0.000 1.010 166 S CB -0.436 62.776 63.200 0.020 0.000 0.891 166 S HN 0.524 8.834 8.310 0.000 0.000 0.442 167 S N 0.467 116.185 115.700 0.030 0.000 2.402 167 S HA -0.112 4.364 4.470 0.009 0.000 0.229 167 S C 2.059 176.682 174.600 0.038 0.000 1.021 167 S CA 0.961 59.175 58.200 0.024 0.000 0.974 167 S CB -1.052 62.159 63.200 0.018 0.000 0.800 167 S HN 0.592 8.902 8.310 0.000 0.000 0.484 168 c N 2.094 120.734 118.600 0.067 0.000 2.489 168 c HA 0.134 4.710 4.570 0.009 0.000 0.279 168 c C 2.699 176.874 174.090 0.141 0.000 1.266 168 c CA 0.955 57.351 56.329 0.112 0.000 1.707 168 c CB -1.100 41.479 42.510 0.116 0.000 2.059 168 c HN 0.633 8.863 8.230 0.000 0.000 0.481 169 K N 0.982 121.447 120.400 0.108 0.000 2.283 169 K HA -0.084 4.241 4.320 0.009 0.000 0.202 169 K C 2.101 178.750 176.600 0.083 0.000 1.048 169 K CA 1.644 57.998 56.287 0.112 0.000 0.948 169 K CB -0.174 32.376 32.500 0.084 0.000 0.742 169 K HN 0.718 8.968 8.250 0.000 0.000 0.458 170 S N 0.387 116.115 115.700 0.047 0.000 2.446 170 S HA 0.046 4.522 4.470 0.009 0.000 0.225 170 S C 2.179 176.760 174.600 -0.032 0.000 1.016 170 S CA 0.519 58.727 58.200 0.013 0.000 0.943 170 S CB 0.130 63.333 63.200 0.005 0.000 0.786 170 S HN 0.244 8.554 8.310 0.000 0.000 0.508 171 A N 0.455 123.234 122.820 -0.068 0.000 1.929 171 A HA 0.251 4.577 4.320 0.009 0.000 0.216 171 A C 0.636 177.961 177.584 -0.431 0.000 1.176 171 A CA 0.514 52.389 52.037 -0.271 0.000 0.628 171 A CB -0.474 18.315 19.000 -0.352 0.000 0.816 171 A HN 0.647 8.797 8.150 0.000 0.000 0.444 172 Y N 0.095 120.421 120.300 0.043 0.000 2.562 172 Y HA 0.300 4.854 4.550 0.007 0.000 0.363 172 Y C -2.591 173.365 175.900 0.095 0.000 0.991 172 Y CA -2.817 55.339 58.100 0.094 0.000 1.121 172 Y CB 0.586 39.131 38.460 0.141 0.000 1.159 172 Y HN 0.139 8.419 8.280 0.000 0.000 0.651 173 P HA 0.036 4.457 4.420 0.000 0.000 0.263 173 P C 1.082 178.454 177.300 0.121 0.000 1.195 173 P CA 1.437 64.605 63.100 0.113 0.000 0.762 173 P CB 0.877 32.615 31.700 0.064 0.000 0.799 174 G N 3.297 112.159 108.800 0.103 0.000 2.184 174 G HA2 -0.325 3.641 3.960 0.009 0.000 0.264 174 G HA3 -0.325 3.641 3.960 0.009 0.000 0.264 174 G C 0.769 175.723 174.900 0.090 0.000 0.975 174 G CA 0.390 45.538 45.100 0.079 0.000 0.642 174 G HN 0.557 8.847 8.290 0.000 0.000 0.536 175 Q N -0.843 119.050 119.800 0.155 0.000 2.316 175 Q HA 0.359 4.705 4.340 0.009 0.000 0.235 175 Q C 0.840 176.977 176.000 0.228 0.000 0.863 175 Q CA 0.009 55.917 55.803 0.174 0.000 0.939 175 Q CB 0.896 29.809 28.738 0.293 0.000 1.108 175 Q HN 0.517 8.787 8.270 0.000 0.000 0.522 176 I N 2.418 123.114 120.570 0.209 0.000 2.342 176 I HA 0.143 4.319 4.170 0.009 0.000 0.291 176 I C 0.808 176.999 176.117 0.124 0.000 1.010 176 I CA 0.098 61.506 61.300 0.179 0.000 1.308 176 I CB 0.715 38.804 38.000 0.147 0.000 1.400 176 I HN 0.074 8.284 8.210 0.000 0.000 0.488 177 T N 1.283 115.908 114.554 0.118 0.000 2.923 177 T HA 0.244 4.599 4.350 0.009 0.000 0.281 177 T C 1.309 176.057 174.700 0.081 0.000 0.995 177 T CA -0.067 62.083 62.100 0.083 0.000 0.985 177 T CB 1.344 70.255 68.868 0.071 0.000 1.114 177 T HN 0.603 8.843 8.240 0.000 0.000 0.548 178 S N 0.615 116.349 115.700 0.057 0.000 2.440 178 S HA -0.134 4.342 4.470 0.009 0.000 0.238 178 S C 1.202 175.838 174.600 0.061 0.000 1.010 178 S CA 0.842 59.069 58.200 0.046 0.000 0.972 178 S CB -0.758 62.450 63.200 0.014 0.000 0.774 178 S HN 0.725 9.035 8.310 0.000 0.000 0.501 179 N N 0.912 119.659 118.700 0.078 0.000 2.268 179 N HA 0.356 5.102 4.740 0.009 0.000 0.204 179 N C -0.286 175.333 175.510 0.182 0.000 1.124 179 N CA 0.271 53.393 53.050 0.120 0.000 0.838 179 N CB 0.180 38.759 38.487 0.153 0.000 0.994 179 N HN 0.559 8.939 8.380 0.000 0.000 0.489 180 M N 0.160 119.853 119.600 0.154 0.000 2.644 180 M HA 0.484 4.970 4.480 0.009 0.000 0.304 180 M C -1.029 175.386 176.300 0.192 0.000 1.215 180 M CA -1.066 54.303 55.300 0.114 0.000 0.871 180 M CB 2.375 35.019 32.600 0.072 0.000 1.740 180 M HN -0.056 8.234 8.290 0.000 0.000 0.464 181 F N -1.108 118.876 119.950 0.057 0.000 2.626 181 F HA 0.821 5.352 4.527 0.006 0.000 0.311 181 F C -1.517 174.316 175.800 0.055 0.000 1.088 181 F CA -1.282 56.748 58.000 0.050 0.000 0.949 181 F CB 0.827 39.859 39.000 0.054 0.000 1.322 181 F HN 0.481 8.781 8.300 0.000 0.000 0.461 182 c N 2.231 120.984 118.600 0.254 0.000 2.358 182 c HA 0.913 5.489 4.570 0.009 0.000 0.342 182 c C 0.092 174.386 174.090 0.340 0.000 1.234 182 c CA -0.184 56.253 56.329 0.179 0.000 1.969 182 c CB 0.422 43.000 42.510 0.114 0.000 2.346 182 c HN 1.032 9.262 8.230 0.000 0.000 0.525 183 A N 2.467 125.473 122.820 0.310 0.000 2.499 183 A HA 0.626 4.952 4.320 0.009 0.000 0.280 183 A C -1.351 176.288 177.584 0.092 0.000 1.135 183 A CA -0.370 51.774 52.037 0.178 0.000 0.744 183 A CB 0.229 19.286 19.000 0.094 0.000 1.213 183 A HN 0.802 8.952 8.150 0.000 0.000 0.434 184 Y N 2.774 123.110 120.300 0.060 0.000 2.404 184 Y HA 0.264 4.815 4.550 0.003 0.000 0.344 184 Y C 1.295 177.213 175.900 0.030 0.000 0.995 184 Y CA -0.289 57.835 58.100 0.040 0.000 1.201 184 Y CB 0.975 39.455 38.460 0.034 0.000 1.151 184 Y HN 0.654 8.934 8.280 0.000 0.000 0.517 185 L N 1.729 123.027 121.223 0.125 0.000 2.362 185 L HA -0.152 4.194 4.340 0.009 0.000 0.219 185 L C 2.168 179.081 176.870 0.072 0.000 1.134 185 L CA 1.172 56.053 54.840 0.068 0.000 0.807 185 L CB -0.075 42.007 42.059 0.038 0.000 0.927 185 L HN 0.715 8.945 8.230 0.000 0.000 0.447 186 E N 0.596 120.861 120.200 0.108 0.000 2.347 186 E HA 0.024 4.380 4.350 0.009 0.000 0.196 186 E C 0.683 177.320 176.600 0.063 0.000 1.008 186 E CA 0.459 56.903 56.400 0.072 0.000 0.852 186 E CB 0.207 29.948 29.700 0.069 0.000 0.783 186 E HN 0.350 8.710 8.360 0.000 0.000 0.505 187 G N 1.737 110.598 108.800 0.101 0.000 3.295 187 G HA2 -0.264 3.702 3.960 0.009 0.000 0.686 187 G HA3 -0.264 3.702 3.960 0.009 0.000 0.686 187 G C -0.978 173.955 174.900 0.055 0.000 0.958 187 G CA -0.043 45.108 45.100 0.084 0.000 0.787 187 G HN 0.276 8.566 8.290 0.000 0.000 0.523 188 K N 0.708 121.136 120.400 0.046 0.000 6.999 188 K HA -0.068 4.257 4.320 0.009 0.000 0.712 188 K C -0.336 176.385 176.600 0.201 0.000 2.465 188 K CA 1.523 57.868 56.287 0.096 0.000 1.780 188 K CB -0.113 32.406 32.500 0.031 0.000 1.897 188 K HN 0.990 9.240 8.250 0.000 0.000 0.299 189 D N -0.143 120.343 120.400 0.144 0.000 2.713 189 D HA 0.311 4.957 4.640 0.009 0.000 0.306 189 D C -1.018 175.353 176.300 0.118 0.000 1.299 189 D CA 0.020 54.109 54.000 0.147 0.000 0.823 189 D CB 1.491 42.357 40.800 0.110 0.000 1.353 189 D HN 0.358 8.728 8.370 0.000 0.000 0.447 190 S N -0.553 115.230 115.700 0.140 0.000 2.652 190 S HA 0.740 5.215 4.470 0.009 0.000 0.270 190 S C 0.037 174.678 174.600 0.068 0.000 1.243 190 S CA -0.449 57.818 58.200 0.111 0.000 0.999 190 S CB 1.412 64.719 63.200 0.177 0.000 0.973 190 S HN 0.627 8.937 8.310 0.000 0.000 0.544 191 c N 0.246 118.884 118.600 0.064 0.000 3.335 191 c HA 0.511 5.086 4.570 0.009 0.000 0.356 191 c C -1.111 173.037 174.090 0.096 0.000 1.570 191 c CA -0.612 55.749 56.329 0.054 0.000 1.271 191 c CB 1.100 43.614 42.510 0.007 0.000 1.873 191 c HN 1.052 9.282 8.230 0.000 0.000 0.439 192 Q N 0.792 120.657 119.800 0.109 0.000 2.263 192 Q HA 0.397 4.742 4.340 0.009 0.000 0.289 192 Q C 0.980 177.152 176.000 0.286 0.000 1.061 192 Q CA 1.698 57.619 55.803 0.196 0.000 0.927 192 Q CB 0.215 29.085 28.738 0.221 0.000 1.154 192 Q HN 1.320 9.590 8.270 0.000 0.000 0.378 193 G N 2.572 111.567 108.800 0.325 0.000 2.238 193 G HA2 -0.227 3.738 3.960 0.009 0.000 0.217 193 G HA3 -0.227 3.738 3.960 0.009 0.000 0.217 193 G C 0.461 175.603 174.900 0.402 0.000 0.996 193 G CA 0.088 45.444 45.100 0.426 0.000 0.632 193 G HN 0.643 8.933 8.290 0.000 0.000 0.503 194 D N 1.226 121.790 120.400 0.273 0.000 2.323 194 D HA 0.173 4.818 4.640 0.009 0.000 0.209 194 D C 1.409 177.826 176.300 0.195 0.000 0.973 194 D CA 0.798 54.928 54.000 0.217 0.000 0.874 194 D CB 0.010 40.898 40.800 0.148 0.000 0.930 194 D HN 0.373 8.743 8.370 0.000 0.000 0.521 195 S N -0.447 115.373 115.700 0.200 0.000 2.573 195 S HA 0.257 4.733 4.470 0.009 0.000 0.297 195 S C 1.581 176.216 174.600 0.058 0.000 1.280 195 S CA 0.827 59.134 58.200 0.179 0.000 1.061 195 S CB 0.791 64.157 63.200 0.276 0.000 0.812 195 S HN 0.480 8.790 8.310 0.000 0.000 0.500 196 G N 2.266 111.089 108.800 0.039 0.000 2.225 196 G HA2 -0.197 3.768 3.960 0.009 0.000 0.254 196 G HA3 -0.197 3.768 3.960 0.009 0.000 0.254 196 G C 0.429 175.372 174.900 0.072 0.000 0.988 196 G CA -0.014 45.087 45.100 0.001 0.000 0.625 196 G HN 1.130 9.420 8.290 0.000 0.000 0.527 197 G N 0.548 109.417 108.800 0.114 0.000 2.616 197 G HA2 0.610 4.576 3.960 0.009 0.000 0.268 197 G HA3 0.610 4.576 3.960 0.009 0.000 0.268 197 G C -2.055 172.930 174.900 0.141 0.000 1.213 197 G CA -0.441 44.737 45.100 0.130 0.000 0.926 197 G HN 0.284 8.574 8.290 0.000 0.000 0.523 198 P HA 0.311 4.731 4.420 0.000 0.000 0.278 198 P C -0.652 176.707 177.300 0.099 0.000 1.238 198 P CA -0.415 62.775 63.100 0.150 0.000 0.794 198 P CB 1.547 33.410 31.700 0.272 0.000 0.955 199 V N 3.304 123.255 119.914 0.061 0.000 2.380 199 V HA 0.222 4.348 4.120 0.009 0.000 0.286 199 V C 0.019 176.120 176.094 0.011 0.000 1.015 199 V CA -0.647 61.651 62.300 -0.003 0.000 0.834 199 V CB 1.756 33.524 31.823 -0.092 0.000 1.009 199 V HN 0.225 8.415 8.190 0.000 0.000 0.428 200 V N 4.015 123.929 119.914 -0.000 0.000 2.370 200 V HA 0.432 4.557 4.120 0.009 0.000 0.283 200 V C -0.135 175.940 176.094 -0.031 0.000 1.023 200 V CA -0.293 61.981 62.300 -0.043 0.000 0.857 200 V CB 1.545 33.322 31.823 -0.077 0.000 0.985 200 V HN 0.973 9.163 8.190 0.000 0.000 0.443 201 c N 2.847 121.416 118.600 -0.052 0.000 2.369 201 c HA 0.521 5.097 4.570 0.009 0.000 0.322 201 c C 1.019 175.079 174.090 -0.050 0.000 1.258 201 c CA -0.774 55.522 56.329 -0.054 0.000 1.487 201 c CB 0.527 42.985 42.510 -0.086 0.000 2.165 201 c HN 1.015 9.245 8.230 0.000 0.000 0.483 202 S N 1.429 117.109 115.700 -0.034 0.000 3.549 202 S HA -0.133 4.343 4.470 0.009 0.000 0.366 202 S C 1.242 175.823 174.600 -0.032 0.000 1.012 202 S CA 1.532 59.715 58.200 -0.029 0.000 1.141 202 S CB -1.546 61.634 63.200 -0.034 0.000 0.910 202 S HN 2.376 10.685 8.310 0.000 0.000 0.471 203 G N -0.803 107.977 108.800 -0.033 0.000 2.162 203 G HA2 -0.333 3.632 3.960 0.009 0.000 0.260 203 G HA3 -0.333 3.632 3.960 0.009 0.000 0.260 203 G C 0.037 174.886 174.900 -0.085 0.000 0.976 203 G CA 0.929 46.001 45.100 -0.046 0.000 0.655 203 G HN 0.591 8.881 8.290 0.000 0.000 0.533 210 Q N 2.157 121.975 119.800 0.030 0.000 2.373 210 Q HA 0.474 4.820 4.340 0.009 0.000 0.210 210 Q C 0.661 176.828 176.000 0.278 0.000 0.913 210 Q CA 0.900 56.753 55.803 0.083 0.000 0.911 210 Q CB 1.468 30.182 28.738 -0.040 0.000 1.040 210 Q HN 0.749 9.019 8.270 0.000 0.000 0.521 211 G N 0.144 109.111 108.800 0.278 0.000 2.680 211 G HA2 0.693 4.659 3.960 0.009 0.000 0.290 211 G HA3 0.693 4.659 3.960 0.009 0.000 0.290 211 G C -1.253 173.758 174.900 0.185 0.000 1.355 211 G CA -0.578 44.714 45.100 0.319 0.000 0.903 211 G HN 0.022 8.312 8.290 0.000 0.000 0.474 212 I N 0.730 121.410 120.570 0.183 0.000 2.478 212 I HA 0.213 4.388 4.170 0.009 0.000 0.287 212 I C -0.111 176.148 176.117 0.236 0.000 1.042 212 I CA -1.032 60.372 61.300 0.173 0.000 1.067 212 I CB 2.385 40.452 38.000 0.111 0.000 1.233 212 I HN 0.133 8.343 8.210 0.000 0.000 0.431 213 V N 5.148 125.229 119.914 0.279 0.000 2.441 213 V HA -0.064 4.062 4.120 0.009 0.000 0.279 213 V C 0.933 177.093 176.094 0.110 0.000 0.990 213 V CA 0.770 63.198 62.300 0.212 0.000 1.116 213 V CB 0.314 32.276 31.823 0.232 0.000 0.977 213 V HN 0.980 9.170 8.190 0.000 0.000 0.470 214 S N 5.397 121.058 115.700 -0.064 0.000 2.998 214 S HA 0.348 4.823 4.470 0.009 0.000 0.208 214 S C 0.177 174.854 174.600 0.127 0.000 0.876 214 S CA 0.094 58.370 58.200 0.127 0.000 0.836 214 S CB 0.512 63.772 63.200 0.101 0.000 0.817 214 S HN 0.879 9.189 8.310 0.000 0.000 0.631 215 W N -0.166 120.958 121.300 -0.294 0.000 2.940 215 W HA 0.656 5.327 4.660 0.018 0.000 0.394 215 W C -0.424 175.909 176.519 -0.309 0.000 1.155 215 W CA -0.462 56.714 57.345 -0.283 0.000 1.165 215 W CB 0.333 29.625 29.460 -0.280 0.000 1.492 215 W HN 0.609 8.789 8.180 0.000 0.000 0.593 216 G N 0.134 108.985 108.800 0.086 0.000 2.356 216 G HA2 0.405 4.371 3.960 0.009 0.000 0.294 216 G HA3 0.405 4.371 3.960 0.009 0.000 0.294 216 G C -2.017 173.028 174.900 0.241 0.000 1.423 216 G CA -0.240 44.830 45.100 -0.050 0.000 0.806 216 G HN 0.652 8.942 8.290 0.000 0.000 0.527 220 c N 0.278 118.913 118.600 0.059 0.000 3.290 220 c HA 0.833 5.409 4.570 0.009 0.000 0.206 220 c C -0.145 173.975 174.090 0.050 0.000 1.639 220 c CA -0.388 55.972 56.329 0.051 0.000 1.408 220 c CB -0.777 41.755 42.510 0.037 0.000 2.197 220 c HN 0.716 8.946 8.230 0.000 0.000 0.508 221 Q N 0.392 120.222 119.800 0.050 0.000 2.985 221 Q HA 0.111 4.456 4.340 0.009 0.000 0.218 221 Q C -0.880 175.139 176.000 0.031 0.000 1.013 221 Q CA -0.272 55.553 55.803 0.037 0.000 0.946 221 Q CB 0.494 29.254 28.738 0.036 0.000 2.194 221 Q HN 0.501 8.771 8.270 0.000 0.000 0.539 222 K N 2.099 122.511 120.400 0.020 0.000 2.484 222 K HA 0.045 4.370 4.320 0.009 0.000 0.280 222 K C -0.201 176.392 176.600 -0.012 0.000 1.013 222 K CA 0.702 56.997 56.287 0.012 0.000 1.029 222 K CB 0.118 32.622 32.500 0.007 0.000 0.902 222 K HN 0.683 8.933 8.250 0.000 0.000 0.481 223 N N 2.319 121.008 118.700 -0.018 0.000 2.753 223 N HA -0.162 4.584 4.740 0.009 0.000 0.251 223 N C -1.161 174.264 175.510 -0.143 0.000 1.097 223 N CA 0.978 53.988 53.050 -0.066 0.000 0.786 223 N CB -0.296 38.146 38.487 -0.075 0.000 1.137 223 N HN 0.560 8.940 8.380 0.000 0.000 0.566 224 K N 0.132 120.483 120.400 -0.081 0.000 2.842 224 K HA 0.336 4.662 4.320 0.009 0.000 0.176 224 K C -2.420 174.224 176.600 0.073 0.000 1.080 224 K CA -1.217 55.020 56.287 -0.083 0.000 0.954 224 K CB 1.685 34.184 32.500 -0.002 0.000 1.203 224 K HN 0.108 8.358 8.250 0.000 0.000 0.611 225 P HA 0.061 4.481 4.420 0.000 0.000 0.273 225 P C 0.537 177.873 177.300 0.061 0.000 1.250 225 P CA -0.222 62.941 63.100 0.105 0.000 0.793 225 P CB 0.639 32.395 31.700 0.094 0.000 1.011 226 G N -0.386 108.416 108.800 0.003 0.000 2.491 226 G HA2 0.402 4.368 3.960 0.009 0.000 0.242 226 G HA3 0.402 4.368 3.960 0.009 0.000 0.242 226 G C -0.674 173.886 174.900 -0.566 0.000 1.266 226 G CA -0.292 44.639 45.100 -0.280 0.000 0.844 226 G HN 0.327 8.617 8.290 0.000 0.000 0.571 227 V N 2.147 121.422 119.914 -1.064 0.000 2.417 227 V HA 0.454 4.580 4.120 0.009 0.000 0.291 227 V C -0.993 174.372 176.094 -1.214 0.000 1.024 227 V CA -0.742 60.852 62.300 -1.176 0.000 0.861 227 V CB 0.878 31.597 31.823 -1.841 0.000 0.985 227 V HN 0.630 8.820 8.190 0.000 0.000 0.436 228 Y N 0.829 120.732 120.300 -0.662 0.000 2.462 228 Y HA 0.499 5.053 4.550 0.007 0.000 0.346 228 Y C 0.828 176.434 175.900 -0.491 0.000 0.976 228 Y CA -0.841 56.879 58.100 -0.633 0.000 1.044 228 Y CB 1.980 39.792 38.460 -1.081 0.000 1.230 228 Y HN 0.557 8.837 8.280 0.000 0.000 0.455 229 T N 2.780 117.294 114.554 -0.065 0.000 2.888 229 T HA 0.056 4.412 4.350 0.009 0.000 0.301 229 T C 0.122 174.945 174.700 0.205 0.000 1.001 229 T CA -0.430 61.716 62.100 0.077 0.000 1.147 229 T CB 0.138 69.047 68.868 0.069 0.000 0.931 229 T HN 0.385 8.625 8.240 0.000 0.000 0.541 230 K N 3.971 124.575 120.400 0.341 0.000 2.150 230 K HA 0.203 4.529 4.320 0.009 0.000 0.261 230 K C 1.126 177.967 176.600 0.402 0.000 1.127 230 K CA -0.315 56.243 56.287 0.451 0.000 0.989 230 K CB -0.241 32.476 32.500 0.363 0.000 1.475 230 K HN 0.400 8.650 8.250 0.000 0.000 0.391 231 V N 2.570 122.716 119.914 0.387 0.000 2.453 231 V HA -0.383 3.742 4.120 0.009 0.000 0.252 231 V C 2.322 178.580 176.094 0.273 0.000 1.068 231 V CA 1.987 64.510 62.300 0.371 0.000 1.070 231 V CB -1.087 30.883 31.823 0.244 0.000 0.664 231 V HN 0.971 9.161 8.190 0.000 0.000 0.461 232 c N 0.351 119.045 118.600 0.156 0.000 2.409 232 c HA -0.084 4.492 4.570 0.009 0.000 0.284 232 c C 2.256 176.352 174.090 0.011 0.000 1.354 232 c CA 0.668 57.038 56.329 0.069 0.000 1.787 232 c CB -1.678 40.845 42.510 0.022 0.000 1.900 232 c HN 0.582 8.812 8.230 0.000 0.000 0.520 233 N N 0.088 118.741 118.700 -0.079 0.000 2.494 233 N HA 0.039 4.785 4.740 0.009 0.000 0.182 233 N C 0.801 176.062 175.510 -0.415 0.000 1.076 233 N CA 1.022 53.883 53.050 -0.316 0.000 0.908 233 N CB -0.367 37.785 38.487 -0.557 0.000 0.967 233 N HN 0.756 9.136 8.380 0.000 0.000 0.449 234 Y N -1.041 119.336 120.300 0.129 0.000 2.481 234 Y HA 0.253 4.808 4.550 0.008 0.000 0.247 234 Y C 1.877 177.932 175.900 0.258 0.000 1.151 234 Y CA -0.283 57.957 58.100 0.233 0.000 1.238 234 Y CB 0.118 38.744 38.460 0.278 0.000 1.179 234 Y HN -0.209 8.071 8.280 0.000 0.000 0.524 235 V N -0.626 119.429 119.914 0.235 0.000 2.332 235 V HA -0.318 3.807 4.120 0.009 0.000 0.248 235 V C 2.111 178.275 176.094 0.117 0.000 1.055 235 V CA 2.480 64.870 62.300 0.149 0.000 1.038 235 V CB -0.730 31.140 31.823 0.078 0.000 0.651 235 V HN 0.369 8.559 8.190 0.000 0.000 0.450 236 S N -1.468 114.308 115.700 0.128 0.000 2.368 236 S HA -0.247 4.229 4.470 0.009 0.000 0.225 236 S C 1.494 176.177 174.600 0.138 0.000 1.030 236 S CA 1.755 60.015 58.200 0.100 0.000 0.999 236 S CB -0.474 62.781 63.200 0.092 0.000 0.844 236 S HN 0.801 9.111 8.310 0.000 0.000 0.459 237 W N 2.462 123.803 121.300 0.068 0.000 2.355 237 W HA -0.029 4.636 4.660 0.009 0.000 0.309 237 W C 1.653 178.181 176.519 0.015 0.000 1.206 237 W CA 0.880 58.270 57.345 0.074 0.000 1.284 237 W CB -0.539 29.044 29.460 0.205 0.000 1.145 237 W HN 0.174 8.354 8.180 0.000 0.000 0.502 238 I N 1.012 121.532 120.570 -0.083 0.000 2.127 238 I HA -0.378 3.798 4.170 0.009 0.000 0.241 238 I C 2.441 178.313 176.117 -0.408 0.000 1.075 238 I CA 1.898 62.968 61.300 -0.385 0.000 1.334 238 I CB -0.689 37.248 38.000 -0.105 0.000 1.040 238 I HN -0.030 8.180 8.210 0.000 0.000 0.405 239 K N 0.175 120.442 120.400 -0.223 0.000 2.057 239 K HA -0.255 4.071 4.320 0.009 0.000 0.207 239 K C 2.142 178.598 176.600 -0.241 0.000 1.049 239 K CA 1.476 57.636 56.287 -0.212 0.000 0.931 239 K CB -0.266 32.169 32.500 -0.109 0.000 0.714 239 K HN 0.186 8.436 8.250 0.000 0.000 0.440 240 Q N 1.145 120.821 119.800 -0.206 0.000 2.084 240 Q HA -0.123 4.222 4.340 0.009 0.000 0.202 240 Q C 1.798 177.642 176.000 -0.260 0.000 0.978 240 Q CA 2.221 57.919 55.803 -0.175 0.000 0.844 240 Q CB -0.479 28.203 28.738 -0.093 0.000 0.898 240 Q HN 0.193 8.463 8.270 0.000 0.000 0.426 241 T N 0.470 114.760 114.554 -0.440 0.000 2.737 241 T HA -0.082 4.273 4.350 0.009 0.000 0.265 241 T C 1.598 175.973 174.700 -0.542 0.000 1.038 241 T CA 1.298 63.090 62.100 -0.513 0.000 1.144 241 T CB -0.228 68.133 68.868 -0.845 0.000 0.866 241 T HN 0.173 8.413 8.240 0.000 0.000 0.434 242 I N 1.714 121.836 120.570 -0.747 0.000 2.286 242 I HA -0.051 4.124 4.170 0.009 0.000 0.248 242 I C 2.593 178.488 176.117 -0.370 0.000 1.115 242 I CA 0.481 61.233 61.300 -0.914 0.000 1.392 242 I CB -0.797 36.621 38.000 -0.970 0.000 1.065 242 I HN 0.181 8.391 8.210 0.000 0.000 0.418 243 A N -1.225 121.440 122.820 -0.259 0.000 2.067 243 A HA -0.066 4.260 4.320 0.009 0.000 0.219 243 A C 2.254 179.802 177.584 -0.061 0.000 1.158 243 A CA 1.762 53.726 52.037 -0.122 0.000 0.661 243 A CB -0.385 18.552 19.000 -0.106 0.000 0.801 243 A HN 0.385 8.535 8.150 0.000 0.000 0.452 244 S N -0.487 115.170 115.700 -0.071 0.000 2.603 244 S HA 0.218 4.694 4.470 0.009 0.000 0.232 244 S C 0.302 174.924 174.600 0.036 0.000 1.016 244 S CA -0.597 57.592 58.200 -0.017 0.000 0.976 244 S CB 0.082 63.264 63.200 -0.031 0.000 0.921 244 S HN 0.559 8.869 8.310 0.000 0.000 0.516 245 N N 0.000 118.756 118.700 0.093 0.000 1.763 245 N HA 0.000 4.746 4.740 0.009 0.000 0.220 245 N CA 0.000 53.185 53.050 0.225 0.000 0.885 245 N CB 0.000 38.681 38.487 0.323 0.000 1.341 245 N HN 0.000 8.380 8.380 0.000 0.000 0.667