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 1c2m_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 4.172 4.170 0.004 0.000 0.288 16 I C 0.000 176.094 176.117 -0.038 0.000 1.063 16 I CA 0.000 61.282 61.300 -0.030 0.000 1.566 16 I CB 0.000 37.955 38.000 -0.075 0.000 1.214 17 V N 4.679 124.585 119.914 -0.013 0.000 2.513 17 V HA 0.276 4.378 4.120 -0.030 0.000 0.299 17 V C 0.398 176.487 176.094 -0.007 0.000 1.035 17 V CA -1.790 60.500 62.300 -0.015 0.000 0.889 17 V CB 1.406 33.226 31.823 -0.004 0.000 0.988 17 V HN 0.772 8.968 8.190 0.010 0.000 0.440 18 G N 6.662 115.454 108.800 -0.014 0.000 2.198 18 G HA2 -0.414 3.537 3.960 -0.014 0.000 0.260 18 G HA3 -0.414 3.687 3.960 -0.031 -0.160 0.260 18 G C -1.061 173.843 174.900 0.007 0.000 1.025 18 G CA 0.690 45.781 45.100 -0.015 0.000 0.769 18 G HN 0.710 8.989 8.290 -0.018 0.000 0.507 19 G N -2.695 106.107 108.800 0.005 0.000 2.753 19 G HA2 0.559 4.555 3.960 0.096 0.000 0.285 19 G HA3 0.559 4.564 3.960 -0.088 -0.098 0.285 19 G C -1.784 173.156 174.900 0.067 0.000 1.344 19 G CA -1.407 43.700 45.100 0.012 0.000 1.050 19 G HN -0.773 7.479 8.290 -0.016 0.029 0.532 20 Y N -5.958 114.319 120.300 -0.039 0.000 2.662 20 Y HA 0.445 4.974 4.550 -0.035 0.000 0.335 20 Y C -1.720 174.151 175.900 -0.049 0.000 1.066 20 Y CA -2.901 55.176 58.100 -0.038 0.000 1.116 20 Y CB 1.300 39.741 38.460 -0.032 0.000 1.308 20 Y HN 0.433 8.302 8.280 -0.514 0.103 0.502 21 T N 2.346 116.955 114.554 0.092 0.000 2.761 21 T HA 0.080 4.506 4.350 -0.120 -0.148 0.296 21 T C 0.245 174.968 174.700 0.037 0.000 0.934 21 T CA 1.371 63.462 62.100 -0.014 0.000 1.091 21 T CB -0.034 68.855 68.868 0.035 0.000 0.896 21 T HN 0.160 8.518 8.240 0.197 0.000 0.515 22 c N 6.610 125.125 118.600 -0.141 0.000 2.413 22 c HA -0.080 4.496 4.570 0.010 0.000 0.278 22 c C 0.463 174.580 174.090 0.045 0.000 1.224 22 c CA 0.802 57.090 56.329 -0.068 0.000 1.732 22 c CB -0.438 41.959 42.510 -0.189 0.000 2.050 22 c HN 0.488 8.578 8.230 -0.235 0.000 0.463 23 G N -3.467 105.330 108.800 -0.004 0.000 2.402 23 G HA2 -0.143 3.831 3.960 0.024 0.000 0.666 23 G HA3 -0.143 3.834 3.960 0.029 0.000 0.666 23 G C -2.490 172.406 174.900 -0.006 0.000 1.402 23 G CA -1.071 44.039 45.100 0.016 0.000 0.920 23 G HN -0.504 7.757 8.290 -0.049 0.000 0.651 24 A N 0.962 123.788 122.820 0.010 0.000 2.524 24 A HA -0.081 4.437 4.320 0.024 -0.183 0.250 24 A C -0.037 177.549 177.584 0.003 0.000 1.078 24 A CA 0.767 52.814 52.037 0.017 0.000 0.761 24 A CB -0.021 18.995 19.000 0.027 0.000 1.012 24 A HN 0.136 8.296 8.150 0.018 0.000 0.500 25 N N -1.789 116.910 118.700 -0.001 0.000 2.714 25 N HA -0.368 4.357 4.740 -0.026 0.000 0.252 25 N C 0.138 175.623 175.510 -0.041 0.000 1.014 25 N CA 1.408 54.447 53.050 -0.018 0.000 0.735 25 N CB -0.995 37.494 38.487 0.003 0.000 0.924 25 N HN 0.487 8.876 8.380 0.016 0.000 0.540 26 T N -4.470 110.045 114.554 -0.064 0.000 3.040 26 T HA 0.066 4.401 4.350 -0.025 0.000 0.250 26 T C -0.469 174.167 174.700 -0.108 0.000 1.058 26 T CA 0.699 62.769 62.100 -0.050 0.000 0.988 26 T CB 0.959 69.817 68.868 -0.016 0.000 0.993 26 T HN -0.526 7.668 8.240 -0.077 0.000 0.519 27 V N 2.576 122.353 119.914 -0.228 0.000 2.271 27 V HA 0.362 4.153 4.120 -0.547 0.000 0.259 27 V C -1.060 174.674 176.094 -0.600 0.000 1.030 27 V CA -3.507 58.474 62.300 -0.532 0.000 0.957 27 V CB 0.749 32.273 31.823 -0.498 0.000 1.186 27 V HN -0.415 7.599 8.190 -0.197 0.058 0.471 28 P HA 0.031 4.477 4.420 -0.114 -0.094 0.226 28 P C 0.091 177.325 177.300 -0.110 0.000 1.153 28 P CA 1.628 64.635 63.100 -0.155 0.000 0.777 28 P CB 0.087 31.778 31.700 -0.015 0.000 0.794 29 Y N -5.785 114.540 120.300 0.042 0.000 2.466 29 Y HA 0.519 5.278 4.550 0.057 -0.174 0.272 29 Y C -0.591 175.348 175.900 0.065 0.000 1.169 29 Y CA -3.611 54.520 58.100 0.052 0.000 1.285 29 Y CB -1.512 36.975 38.460 0.044 0.000 1.078 29 Y HN -0.390 7.236 8.280 -0.994 0.058 0.523 30 Q N 2.559 122.248 119.800 -0.185 0.000 2.332 30 Q HA 0.180 4.713 4.340 0.105 -0.130 0.263 30 Q C -0.327 175.759 176.000 0.144 0.000 0.979 30 Q CA 0.197 55.992 55.803 -0.013 0.000 0.885 30 Q CB 1.225 29.848 28.738 -0.192 0.000 1.218 30 Q HN -0.589 7.217 8.270 -0.477 0.178 0.405 31 V N 0.335 120.376 119.914 0.212 0.000 3.074 31 V HA 0.826 5.189 4.120 0.200 -0.122 0.314 31 V C -1.954 174.300 176.094 0.267 0.000 1.117 31 V CA -2.932 59.490 62.300 0.203 0.000 1.014 31 V CB 4.197 36.089 31.823 0.115 0.000 1.057 31 V HN 0.202 8.514 8.190 0.204 0.000 0.438 32 S N 1.385 117.152 115.700 0.112 0.000 2.561 32 S HA 0.438 5.141 4.470 0.177 -0.127 0.303 32 S C -1.381 173.117 174.600 -0.171 0.000 1.110 32 S CA -1.801 56.399 58.200 0.000 0.000 1.034 32 S CB 1.536 64.544 63.200 -0.320 0.000 1.010 32 S HN -0.023 8.321 8.310 0.056 0.000 0.482 33 L N 6.745 127.734 121.223 -0.390 0.000 2.275 33 L HA 0.567 4.867 4.340 -0.291 -0.135 0.288 33 L C -1.507 174.987 176.870 -0.627 0.000 1.046 33 L CA -0.863 53.651 54.840 -0.544 0.000 0.805 33 L CB 1.054 42.580 42.059 -0.889 0.000 1.193 33 L HN 0.997 8.833 8.230 -0.483 0.104 0.426 38 G N 0.298 108.852 108.800 -0.411 0.000 2.218 38 G HA2 -0.261 3.623 3.960 -0.127 0.000 0.216 38 G HA3 -0.261 3.645 3.960 -0.091 0.000 0.216 38 G C -1.567 173.298 174.900 -0.058 0.000 0.994 38 G CA 0.236 45.220 45.100 -0.194 0.000 0.637 38 G HN 0.142 8.482 8.290 -0.333 -0.251 0.505 39 Y N -6.377 113.903 120.300 -0.034 0.000 2.662 39 Y HA 0.232 4.746 4.550 -0.059 0.000 0.334 39 Y C -2.360 173.559 175.900 0.030 0.000 1.185 39 Y CA -3.209 54.875 58.100 -0.026 0.000 1.074 39 Y CB 0.722 39.166 38.460 -0.026 0.000 1.330 39 Y HN -1.170 6.627 8.280 -0.806 -0.000 0.458 40 H N 2.559 121.642 119.070 0.021 0.000 2.803 40 H HA 0.016 4.623 4.556 -0.225 -0.186 0.330 40 H C -0.345 175.071 175.328 0.147 0.000 1.057 40 H CA -0.093 55.903 56.048 -0.087 0.000 1.458 40 H CB 0.365 30.010 29.762 -0.195 0.000 1.470 40 H HN 0.319 8.721 8.280 0.203 0.000 0.560 41 F N 2.405 122.039 119.950 -0.526 0.000 2.876 41 F HA 0.327 4.821 4.527 -0.054 0.000 0.344 41 F C -1.564 174.014 175.800 -0.370 0.000 1.029 41 F CA -0.729 57.121 58.000 -0.252 0.000 1.154 41 F CB 1.587 40.559 39.000 -0.046 0.000 1.040 41 F HN 0.135 7.814 8.300 -1.036 0.000 0.576 42 c N -1.491 116.353 118.600 -1.260 0.000 3.312 42 c HA 0.364 4.827 4.570 -0.268 -0.053 0.332 42 c C -1.738 172.088 174.090 -0.440 0.000 1.340 42 c CA -0.210 55.734 56.329 -0.642 0.000 1.265 42 c CB 4.052 46.266 42.510 -0.494 0.000 1.563 42 c HN -0.795 6.398 8.230 -1.728 0.000 0.471 43 G N -0.858 107.913 108.800 -0.048 0.000 2.601 43 G HA2 0.808 5.075 3.960 0.234 0.000 0.317 43 G HA3 0.808 4.914 3.960 0.242 0.000 0.317 43 G C -2.524 172.402 174.900 0.043 0.000 1.246 43 G CA -1.638 43.549 45.100 0.145 0.000 1.012 43 G HN 0.681 8.960 8.290 -0.019 0.000 0.494 44 G N -3.799 105.062 108.800 0.103 0.000 2.550 44 G HA2 0.586 4.853 3.960 0.078 0.000 0.293 44 G HA3 0.586 4.583 3.960 0.061 0.000 0.293 44 G C -2.934 172.054 174.900 0.147 0.000 1.402 44 G CA 0.176 45.330 45.100 0.090 0.000 0.784 44 G HN -0.561 7.829 8.290 0.166 0.000 0.482 45 S N -0.622 115.169 115.700 0.151 0.000 2.521 45 S HA 0.810 5.630 4.470 0.267 -0.190 0.295 45 S C -1.410 173.294 174.600 0.173 0.000 1.098 45 S CA -0.810 57.511 58.200 0.201 0.000 0.999 45 S CB 3.753 67.055 63.200 0.171 0.000 1.034 45 S HN 0.344 8.730 8.310 0.127 0.000 0.483 46 L N 5.971 127.311 121.223 0.196 0.000 2.319 46 L HA 0.237 4.784 4.340 0.149 -0.118 0.280 46 L C -0.550 176.405 176.870 0.143 0.000 1.099 46 L CA -0.385 54.551 54.840 0.161 0.000 0.828 46 L CB 1.285 43.436 42.059 0.153 0.000 1.150 46 L HN 0.567 8.841 8.230 0.254 0.107 0.442 47 I N -0.115 120.536 120.570 0.136 0.000 3.854 47 I HA 0.403 4.767 4.170 0.070 -0.152 0.312 47 I C -0.850 175.327 176.117 0.100 0.000 1.273 47 I CA -0.226 61.133 61.300 0.098 0.000 1.298 47 I CB 0.739 38.787 38.000 0.081 0.000 1.071 47 I HN 0.420 8.728 8.210 0.163 0.000 0.428 48 N N -2.269 116.511 118.700 0.134 0.000 3.355 48 N HA 0.043 4.840 4.740 0.094 0.000 0.238 48 N C -0.538 175.047 175.510 0.125 0.000 1.466 48 N CA -0.378 52.746 53.050 0.123 0.000 0.882 48 N CB 1.057 39.625 38.487 0.134 0.000 1.406 48 N HN -0.866 7.609 8.380 0.157 0.000 0.500 49 S N -1.460 114.297 115.700 0.095 0.000 2.423 49 S HA -0.409 4.095 4.470 0.056 0.000 0.238 49 S C 0.986 175.608 174.600 0.036 0.000 1.028 49 S CA 2.836 61.074 58.200 0.062 0.000 1.000 49 S CB 0.025 63.252 63.200 0.045 0.000 0.797 49 S HN 0.481 8.843 8.310 0.088 0.000 0.487 50 Q N -2.592 117.238 119.800 0.050 0.000 2.246 50 Q HA 0.225 4.480 4.340 -0.141 0.000 0.222 50 Q C -0.985 174.845 176.000 -0.282 0.000 0.851 50 Q CA 0.146 55.875 55.803 -0.123 0.000 0.945 50 Q CB 1.185 29.822 28.738 -0.167 0.000 1.122 50 Q HN 0.025 8.342 8.270 0.134 0.034 0.508 51 W N -2.197 119.108 121.300 0.009 0.000 2.936 51 W HA 0.598 5.444 4.660 0.006 -0.183 0.338 51 W C -1.524 175.007 176.519 0.021 0.000 1.121 51 W CA -0.885 56.464 57.345 0.006 0.000 1.209 51 W CB 3.710 33.161 29.460 -0.014 0.000 1.420 51 W HN -0.527 7.801 8.180 0.248 0.000 0.516 52 V N 1.345 121.426 119.914 0.279 0.000 2.823 52 V HA 0.861 5.274 4.120 0.174 -0.189 0.312 52 V C -1.420 174.792 176.094 0.197 0.000 1.072 52 V CA -1.961 60.451 62.300 0.187 0.000 0.937 52 V CB 3.843 35.734 31.823 0.114 0.000 1.013 52 V HN 0.780 9.157 8.190 0.312 0.000 0.430 53 V N 1.299 121.303 119.914 0.151 0.000 2.555 53 V HA 1.034 5.433 4.120 0.155 -0.187 0.302 53 V C -1.620 174.535 176.094 0.101 0.000 1.038 53 V CA -2.754 59.626 62.300 0.134 0.000 0.887 53 V CB 2.262 34.155 31.823 0.117 0.000 0.991 53 V HN 0.357 8.631 8.190 0.140 0.000 0.434 54 S N 4.190 119.938 115.700 0.079 0.000 2.973 54 S HA 0.569 5.245 4.470 0.040 -0.181 0.317 54 S C -1.835 172.758 174.600 -0.012 0.000 1.196 54 S CA -2.441 55.777 58.200 0.031 0.000 0.894 54 S CB 2.385 65.590 63.200 0.008 0.000 1.292 54 S HN 0.654 9.021 8.310 0.095 0.000 0.614 55 A N -0.609 122.162 122.820 -0.082 0.000 2.304 55 A HA 0.428 4.836 4.320 -0.111 -0.155 0.301 55 A C 0.468 177.920 177.584 -0.220 0.000 1.132 55 A CA -1.458 50.483 52.037 -0.160 0.000 0.819 55 A CB 1.382 20.217 19.000 -0.276 0.000 1.094 55 A HN 0.330 8.423 8.150 -0.095 0.000 0.492 56 A N 4.549 127.183 122.820 -0.311 0.000 1.972 56 A HA -0.219 3.952 4.320 -0.248 0.000 0.219 56 A C 1.227 178.575 177.584 -0.393 0.000 1.169 56 A CA 2.670 54.416 52.037 -0.484 0.000 0.635 56 A CB -0.168 18.145 19.000 -1.144 0.000 0.810 56 A HN 0.524 8.533 8.150 -0.296 -0.036 0.446 57 H N -5.071 113.848 119.070 -0.251 0.000 2.563 57 H HA -0.059 4.539 4.556 0.069 0.000 0.272 57 H C 0.009 175.398 175.328 0.102 0.000 1.005 57 H CA 1.218 57.279 56.048 0.022 0.000 1.171 57 H CB -1.407 28.438 29.762 0.138 0.000 1.351 57 H HN 0.015 8.440 8.280 -0.219 -0.275 0.602 58 c N -1.770 116.744 118.600 -0.142 0.000 2.791 58 c HA 0.046 4.713 4.570 0.161 0.000 0.270 58 c C 0.282 174.471 174.090 0.165 0.000 1.257 58 c CA -0.106 56.262 56.329 0.064 0.000 1.699 58 c CB -1.357 41.155 42.510 0.003 0.000 1.904 58 c HN -0.337 7.552 8.230 -0.225 0.206 0.603 59 Y N 2.529 122.832 120.300 0.004 0.000 2.717 59 Y HA -0.262 4.310 4.550 0.037 0.000 0.330 59 Y C -1.294 174.585 175.900 -0.034 0.000 1.217 59 Y CA 2.063 60.167 58.100 0.008 0.000 1.506 59 Y CB 0.440 38.894 38.460 -0.011 0.000 1.268 59 Y HN -0.512 7.678 8.280 0.152 0.181 0.561 60 K N 7.176 127.022 120.400 -0.925 0.000 2.533 60 K HA 0.157 4.031 4.320 -0.743 0.000 0.272 60 K C -2.114 173.958 176.600 -0.880 0.000 0.985 60 K CA -1.516 54.275 56.287 -0.827 0.000 0.876 60 K CB 3.711 35.799 32.500 -0.687 0.000 1.452 60 K HN 0.212 7.971 8.250 -0.818 0.000 0.439 61 S N -0.700 114.667 115.700 -0.556 0.000 2.475 61 S HA 0.122 4.408 4.470 -0.306 0.000 0.298 61 S C 0.097 174.557 174.600 -0.233 0.000 1.119 61 S CA 0.060 58.068 58.200 -0.320 0.000 1.085 61 S CB 0.471 63.566 63.200 -0.175 0.000 1.028 61 S HN 0.268 8.304 8.310 -0.456 0.000 0.489 62 G N 4.251 112.957 108.800 -0.157 0.000 2.414 62 G HA2 -0.338 3.565 3.960 -0.095 0.000 0.256 62 G HA3 -0.338 3.538 3.960 -0.140 0.000 0.256 62 G C -2.050 172.774 174.900 -0.126 0.000 1.128 62 G CA -0.267 44.755 45.100 -0.129 0.000 0.944 62 G HN 0.404 8.618 8.290 -0.125 0.000 0.500 63 I N -0.720 119.798 120.570 -0.087 0.000 2.392 63 I HA 0.161 4.458 4.170 -0.005 -0.131 0.295 63 I C -1.990 174.100 176.117 -0.045 0.000 0.985 63 I CA -1.114 60.168 61.300 -0.029 0.000 1.221 63 I CB 1.614 39.629 38.000 0.025 0.000 1.366 63 I HN -0.438 7.723 8.210 -0.082 0.000 0.467 64 Q N 6.330 126.094 119.800 -0.060 0.000 2.353 64 Q HA 0.482 4.889 4.340 -0.055 -0.099 0.268 64 Q C -1.843 174.102 176.000 -0.091 0.000 1.045 64 Q CA -1.451 54.304 55.803 -0.079 0.000 0.811 64 Q CB 4.068 32.732 28.738 -0.123 0.000 1.305 64 Q HN 0.504 8.742 8.270 -0.053 0.000 0.447 65 V N 6.646 126.527 119.914 -0.054 0.000 2.472 65 V HA 0.356 4.563 4.120 -0.076 -0.132 0.290 65 V C -1.275 174.822 176.094 0.005 0.000 1.037 65 V CA -0.426 61.851 62.300 -0.038 0.000 0.908 65 V CB 1.484 33.302 31.823 -0.009 0.000 0.985 65 V HN 1.100 9.160 8.190 -0.031 0.112 0.454 66 R N 5.799 126.297 120.500 -0.004 0.000 2.409 66 R HA 0.715 5.448 4.340 0.336 -0.191 0.313 66 R C -1.105 175.278 176.300 0.139 0.000 0.953 66 R CA -1.313 54.862 56.100 0.124 0.000 0.849 66 R CB 1.797 32.035 30.300 -0.104 0.000 1.171 66 R HN 0.632 8.874 8.270 -0.047 0.000 0.458 70 E N 0.069 120.379 120.200 0.183 0.000 2.277 70 E HA 0.211 4.664 4.350 0.171 0.000 0.274 70 E C -1.653 175.152 176.600 0.341 0.000 1.022 70 E CA -0.021 56.520 56.400 0.236 0.000 0.853 70 E CB 1.461 31.267 29.700 0.176 0.000 1.086 70 E HN -0.319 8.133 8.360 0.203 0.030 0.397 71 D N 1.824 122.396 120.400 0.287 0.000 3.045 71 D HA 0.000 4.814 4.640 0.291 0.000 0.196 71 D C -1.069 175.441 176.300 0.350 0.000 1.520 71 D CA 1.010 55.172 54.000 0.271 0.000 1.466 71 D CB 2.173 43.051 40.800 0.130 0.000 1.152 71 D HN 0.044 8.538 8.370 0.207 0.000 0.254 72 N N 0.462 119.277 118.700 0.192 0.000 2.419 72 N HA 0.392 5.419 4.740 0.203 -0.165 0.264 72 N C 2.107 177.633 175.510 0.027 0.000 1.031 72 N CA -1.101 52.032 53.050 0.139 0.000 0.951 72 N CB 1.024 39.563 38.487 0.087 0.000 1.101 72 N HN -0.690 7.968 8.380 0.142 -0.193 0.488 73 I N 0.062 120.557 120.570 -0.126 0.000 3.291 73 I HA -0.054 4.108 4.170 -0.270 -0.154 0.279 73 I C -0.301 175.727 176.117 -0.148 0.000 1.294 73 I CA 1.270 62.391 61.300 -0.298 0.000 1.428 73 I CB -0.617 36.981 38.000 -0.670 0.000 1.070 73 I HN 0.608 8.761 8.210 -0.095 0.000 0.478 74 N N -1.908 116.754 118.700 -0.064 0.000 2.205 74 N HA 0.156 4.873 4.740 -0.039 0.000 0.201 74 N C -1.093 174.423 175.510 0.010 0.000 1.128 74 N CA -0.176 52.859 53.050 -0.025 0.000 0.867 74 N CB 2.012 40.495 38.487 -0.008 0.000 0.996 74 N HN 0.057 8.737 8.380 -0.039 -0.323 0.503 75 V N 0.504 120.434 119.914 0.026 0.000 2.577 75 V HA 0.048 4.191 4.120 0.038 0.000 0.303 75 V C -1.456 174.674 176.094 0.061 0.000 1.042 75 V CA -0.919 61.406 62.300 0.041 0.000 0.872 75 V CB 3.248 35.093 31.823 0.037 0.000 0.998 75 V HN -0.831 7.379 8.190 0.019 -0.009 0.423 76 V N 7.910 127.863 119.914 0.065 0.000 2.405 76 V HA -0.180 4.194 4.120 0.089 -0.200 0.264 76 V C 0.295 176.400 176.094 0.019 0.000 1.048 76 V CA 0.623 62.958 62.300 0.058 0.000 0.966 76 V CB -0.252 31.598 31.823 0.046 0.000 1.015 76 V HN 0.311 8.535 8.190 0.056 0.000 0.477 77 E N 9.006 129.215 120.200 0.015 0.000 2.465 77 E HA 0.082 4.436 4.350 0.008 0.000 0.195 77 E C 0.319 176.911 176.600 -0.013 0.000 1.028 77 E CA -0.209 56.195 56.400 0.007 0.000 0.899 77 E CB 0.123 29.837 29.700 0.024 0.000 1.032 77 E HN 0.406 9.204 8.360 0.024 -0.423 0.468 78 G N -1.034 107.742 108.800 -0.040 0.000 2.308 78 G HA2 -0.394 3.525 3.960 -0.069 0.000 0.221 78 G HA3 -0.394 3.545 3.960 -0.036 0.000 0.221 78 G C -0.118 174.742 174.900 -0.066 0.000 1.032 78 G CA 0.579 45.646 45.100 -0.054 0.000 0.623 78 G HN -0.125 8.189 8.290 -0.053 -0.056 0.506 79 N N 0.941 119.611 118.700 -0.049 0.000 2.320 79 N HA 0.068 4.778 4.740 -0.051 0.000 0.237 79 N C -1.845 173.625 175.510 -0.067 0.000 1.129 79 N CA -0.509 52.514 53.050 -0.046 0.000 0.854 79 N CB 0.454 38.933 38.487 -0.013 0.000 1.083 79 N HN 0.274 8.579 8.380 -0.030 0.057 0.504 80 E N -0.600 119.512 120.200 -0.147 0.000 2.227 80 E HA 0.430 4.936 4.350 -0.066 -0.196 0.268 80 E C -0.427 175.985 176.600 -0.314 0.000 0.990 80 E CA -1.070 55.203 56.400 -0.211 0.000 0.856 80 E CB 1.697 31.168 29.700 -0.383 0.000 1.159 80 E HN -0.522 7.660 8.360 -0.178 0.071 0.401 81 Q N 0.355 120.040 119.800 -0.193 0.000 2.290 81 Q HA 0.328 4.540 4.340 -0.213 0.000 0.269 81 Q C -1.318 174.737 176.000 0.093 0.000 1.016 81 Q CA -1.167 54.565 55.803 -0.119 0.000 0.754 81 Q CB 2.960 31.686 28.738 -0.021 0.000 1.247 81 Q HN 0.319 8.565 8.270 -0.040 0.000 0.451 82 F N 4.029 123.962 119.950 -0.029 0.000 2.375 82 F HA 0.813 5.502 4.527 -0.043 -0.187 0.361 82 F C 0.063 175.841 175.800 -0.038 0.000 1.117 82 F CA -1.619 56.358 58.000 -0.039 0.000 1.037 82 F CB 1.585 40.560 39.000 -0.042 0.000 1.192 82 F HN 0.327 8.590 8.300 -0.061 0.000 0.452 83 I N 4.620 125.269 120.570 0.132 0.000 2.545 83 I HA 0.319 4.516 4.170 0.044 0.000 0.292 83 I C -1.013 175.109 176.117 0.008 0.000 1.040 83 I CA -1.308 60.019 61.300 0.046 0.000 1.068 83 I CB 3.926 41.937 38.000 0.018 0.000 1.251 83 I HN 1.031 9.213 8.210 0.127 0.104 0.424 84 S N 6.436 122.131 115.700 -0.009 0.000 2.617 84 S HA 0.181 4.740 4.470 -0.034 -0.109 0.269 84 S C -0.752 173.819 174.600 -0.049 0.000 1.292 84 S CA 0.395 58.577 58.200 -0.031 0.000 1.010 84 S CB 1.044 64.225 63.200 -0.031 0.000 0.944 84 S HN 0.504 8.811 8.310 -0.004 0.000 0.536 85 A N 2.347 125.135 122.820 -0.053 0.000 2.327 85 A HA 0.404 4.805 4.320 -0.095 -0.138 0.283 85 A C -0.398 177.144 177.584 -0.071 0.000 1.127 85 A CA -0.836 51.159 52.037 -0.069 0.000 0.810 85 A CB 0.856 19.829 19.000 -0.044 0.000 1.066 85 A HN -0.206 7.916 8.150 -0.046 0.000 0.492 86 S N 2.672 118.310 115.700 -0.103 0.000 2.456 86 S HA 0.074 4.508 4.470 -0.061 0.000 0.224 86 S C 0.398 174.963 174.600 -0.058 0.000 1.035 86 S CA 1.264 59.413 58.200 -0.086 0.000 0.940 86 S CB 1.114 64.243 63.200 -0.119 0.000 0.799 86 S HN 0.619 8.730 8.310 -0.150 0.109 0.508 87 K N -0.230 120.128 120.400 -0.070 0.000 2.575 87 K HA 0.282 4.622 4.320 0.033 0.000 0.279 87 K C -2.460 174.171 176.600 0.052 0.000 0.969 87 K CA -0.384 55.905 56.287 0.004 0.000 0.868 87 K CB 2.829 35.340 32.500 0.018 0.000 1.457 87 K HN -0.757 7.418 8.250 -0.125 0.000 0.426 88 S N 0.951 116.730 115.700 0.132 0.000 2.526 88 S HA 0.880 5.643 4.470 0.197 -0.176 0.293 88 S C -0.799 173.926 174.600 0.207 0.000 1.092 88 S CA -0.850 57.471 58.200 0.201 0.000 0.980 88 S CB 2.528 65.901 63.200 0.287 0.000 1.048 88 S HN 0.148 8.539 8.310 0.134 0.000 0.483 89 I N 7.088 127.800 120.570 0.237 0.000 2.468 89 I HA 0.191 4.463 4.170 0.170 0.000 0.284 89 I C -1.675 174.598 176.117 0.260 0.000 1.038 89 I CA -0.548 60.890 61.300 0.231 0.000 1.083 89 I CB 2.613 40.767 38.000 0.257 0.000 1.223 89 I HN 0.979 9.348 8.210 0.265 0.000 0.443 90 V N 7.106 127.103 119.914 0.139 0.000 2.686 90 V HA -0.093 4.083 4.120 0.092 0.000 0.295 90 V C -0.406 175.748 176.094 0.101 0.000 1.057 90 V CA -1.011 61.332 62.300 0.071 0.000 1.012 90 V CB 1.138 32.916 31.823 -0.075 0.000 1.006 90 V HN 0.252 8.484 8.190 0.069 0.000 0.477 91 H N 7.406 126.400 119.070 -0.126 0.000 3.064 91 H HA -0.083 4.052 4.556 -0.701 0.000 0.329 91 H C 0.166 175.390 175.328 -0.173 0.000 1.020 91 H CA 0.456 56.247 56.048 -0.429 0.000 1.402 91 H CB 1.728 31.127 29.762 -0.605 0.000 1.379 91 H HN -0.167 8.118 8.280 0.008 0.000 0.594 92 P HA -0.158 4.206 4.420 -0.094 0.000 0.217 92 P C -0.243 177.033 177.300 -0.040 0.000 1.148 92 P CA 1.849 64.814 63.100 -0.225 0.000 0.834 92 P CB 0.290 31.831 31.700 -0.264 0.000 0.783 93 S N -2.687 113.090 115.700 0.128 0.000 2.561 93 S HA 0.056 4.570 4.470 0.074 0.000 0.245 93 S C -1.143 173.569 174.600 0.187 0.000 1.001 93 S CA -0.249 58.056 58.200 0.175 0.000 1.002 93 S CB 0.720 64.028 63.200 0.181 0.000 0.805 93 S HN -0.469 7.941 8.310 0.211 0.026 0.458 94 Y N 3.726 124.075 120.300 0.083 0.000 2.511 94 Y HA -0.285 4.448 4.550 -0.016 -0.193 0.332 94 Y C -0.828 175.067 175.900 -0.007 0.000 1.177 94 Y CA 0.784 58.891 58.100 0.011 0.000 1.422 94 Y CB 0.899 39.361 38.460 0.003 0.000 1.271 94 Y HN -0.737 7.648 8.280 0.292 0.070 0.550 95 N N 7.467 125.796 118.700 -0.618 0.000 2.518 95 N HA 0.230 4.695 4.740 -0.459 0.000 0.254 95 N C -0.275 174.697 175.510 -0.897 0.000 0.979 95 N CA -1.106 51.601 53.050 -0.572 0.000 0.930 95 N CB 1.432 39.750 38.487 -0.281 0.000 1.152 95 N HN -0.143 7.981 8.380 -0.427 0.000 0.505 96 S N 6.215 121.363 115.700 -0.919 0.000 2.507 96 S HA -0.117 3.947 4.470 -0.678 0.000 0.235 96 S C 0.933 175.355 174.600 -0.297 0.000 0.988 96 S CA 2.385 60.234 58.200 -0.585 0.000 0.944 96 S CB -0.222 62.833 63.200 -0.242 0.000 0.762 96 S HN 0.724 8.603 8.310 -0.718 0.000 0.526 97 N N 1.176 119.705 118.700 -0.285 0.000 2.336 97 N HA -0.030 4.595 4.740 -0.192 0.000 0.177 97 N C 1.011 176.363 175.510 -0.263 0.000 1.018 97 N CA 2.325 55.243 53.050 -0.220 0.000 0.878 97 N CB 0.713 39.098 38.487 -0.171 0.000 0.997 97 N HN 0.159 8.600 8.380 -0.317 -0.252 0.433 98 T N -3.948 110.442 114.554 -0.273 0.000 3.022 98 T HA 0.088 4.225 4.350 -0.354 0.000 0.250 98 T C 0.113 174.611 174.700 -0.337 0.000 1.060 98 T CA -0.268 61.655 62.100 -0.296 0.000 1.013 98 T CB 1.388 70.140 68.868 -0.193 0.000 0.982 98 T HN -0.564 7.747 8.240 -0.269 -0.232 0.508 99 L N -3.763 117.301 121.223 -0.266 0.000 4.291 99 L HA -0.504 3.934 4.340 0.062 -0.061 0.413 99 L C -1.813 175.101 176.870 0.073 0.000 1.162 99 L CA 0.625 55.419 54.840 -0.075 0.000 0.961 99 L CB -2.750 39.186 42.059 -0.206 0.000 2.095 99 L HN -0.185 7.816 8.230 -0.297 0.051 0.838 100 N N -0.861 117.835 118.700 -0.007 0.000 2.520 100 N HA -0.135 4.667 4.740 0.104 0.000 0.273 100 N C -0.074 175.496 175.510 0.099 0.000 1.155 100 N CA 0.521 53.603 53.050 0.054 0.000 0.967 100 N CB 1.187 39.675 38.487 0.002 0.000 1.092 100 N HN -0.787 7.477 8.380 -0.110 0.049 0.457 101 N N -0.718 118.035 118.700 0.088 0.000 2.756 101 N HA -0.471 4.221 4.740 -0.080 0.000 0.248 101 N C -1.432 174.061 175.510 -0.028 0.000 1.062 101 N CA 1.366 54.375 53.050 -0.068 0.000 0.696 101 N CB -1.480 36.894 38.487 -0.189 0.000 0.946 101 N HN 0.639 9.090 8.380 0.119 0.000 0.548 102 D N -0.827 119.595 120.400 0.037 0.000 2.558 102 D HA 0.087 4.709 4.640 -0.030 0.000 0.221 102 D C -2.030 174.169 176.300 -0.168 0.000 1.143 102 D CA -0.426 53.585 54.000 0.017 0.000 1.010 102 D CB -0.625 40.300 40.800 0.208 0.000 1.068 102 D HN -0.075 8.333 8.370 0.064 0.000 0.511 103 I N 2.326 122.728 120.570 -0.280 0.000 2.827 103 I HA 0.740 4.997 4.170 -0.138 -0.170 0.298 103 I C -3.054 173.017 176.117 -0.077 0.000 1.235 103 I CA -1.589 59.580 61.300 -0.218 0.000 1.021 103 I CB 4.090 41.829 38.000 -0.436 0.000 1.259 103 I HN -0.215 7.776 8.210 -0.295 0.042 0.427 104 M N 5.914 125.553 119.600 0.066 0.000 2.520 104 M HA 0.802 5.609 4.480 0.296 -0.150 0.283 104 M C -2.927 173.517 176.300 0.240 0.000 1.237 104 M CA -0.898 54.513 55.300 0.186 0.000 0.885 104 M CB 4.903 37.551 32.600 0.080 0.000 1.727 104 M HN 0.507 8.829 8.290 0.054 0.000 0.468 105 L N 1.606 123.005 121.223 0.293 0.000 2.346 105 L HA 0.940 5.627 4.340 0.256 -0.194 0.274 105 L C -1.322 175.748 176.870 0.334 0.000 1.007 105 L CA -1.516 53.497 54.840 0.289 0.000 0.818 105 L CB 3.574 45.738 42.059 0.176 0.000 1.284 105 L HN 0.490 8.921 8.230 0.336 0.000 0.424 106 I N 0.997 121.756 120.570 0.315 0.000 2.466 106 I HA 0.559 4.982 4.170 0.136 -0.172 0.289 106 I C -1.660 174.436 176.117 -0.034 0.000 1.026 106 I CA -1.268 60.119 61.300 0.146 0.000 1.078 106 I CB 3.159 41.213 38.000 0.090 0.000 1.249 106 I HN 0.900 9.317 8.210 0.345 0.000 0.429 107 K N 6.636 126.828 120.400 -0.346 0.000 2.130 107 K HA 0.661 4.441 4.320 -1.172 -0.163 0.268 107 K C -1.001 175.333 176.600 -0.444 0.000 0.983 107 K CA -1.946 53.803 56.287 -0.895 0.000 0.893 107 K CB 3.204 34.933 32.500 -1.284 0.000 1.066 107 K HN 0.723 8.850 8.250 -0.204 0.000 0.450 108 L N 4.535 125.513 121.223 -0.409 0.000 2.350 108 L HA 0.144 4.493 4.340 -0.158 -0.104 0.275 108 L C 1.651 178.402 176.870 -0.198 0.000 1.099 108 L CA 0.121 54.831 54.840 -0.217 0.000 0.808 108 L CB 0.252 42.221 42.059 -0.152 0.000 1.149 108 L HN 0.710 8.512 8.230 -0.541 0.104 0.442 109 K N 2.822 123.146 120.400 -0.127 0.000 2.148 109 K HA -0.269 3.984 4.320 -0.113 0.000 0.204 109 K C 0.127 176.676 176.600 -0.084 0.000 1.050 109 K CA 2.635 58.864 56.287 -0.098 0.000 0.942 109 K CB 0.414 32.876 32.500 -0.063 0.000 0.724 109 K HN 0.608 8.797 8.250 -0.102 0.000 0.446 110 S N -3.879 111.777 115.700 -0.073 0.000 2.599 110 S HA 0.127 4.564 4.470 -0.054 0.000 0.287 110 S C -1.820 172.747 174.600 -0.056 0.000 1.105 110 S CA -1.402 56.765 58.200 -0.054 0.000 0.899 110 S CB 2.145 65.325 63.200 -0.034 0.000 1.100 110 S HN -0.472 7.780 8.310 -0.072 0.014 0.482 111 A N 1.459 124.254 122.820 -0.042 0.000 2.388 111 A HA 0.057 4.491 4.320 -0.043 -0.139 0.257 111 A C -0.570 177.005 177.584 -0.014 0.000 1.095 111 A CA -0.069 51.950 52.037 -0.029 0.000 0.791 111 A CB 0.781 19.773 19.000 -0.014 0.000 1.029 111 A HN 0.210 8.339 8.150 -0.035 0.000 0.489 112 A N 2.813 125.631 122.820 -0.004 0.000 2.332 112 A HA 0.188 4.587 4.320 0.001 -0.079 0.258 112 A C -0.440 177.149 177.584 0.010 0.000 1.087 112 A CA -0.994 51.046 52.037 0.006 0.000 0.802 112 A CB 1.146 20.159 19.000 0.022 0.000 1.042 112 A HN 0.275 8.319 8.150 -0.004 0.103 0.489 113 S N 0.560 116.264 115.700 0.007 0.000 2.420 113 S HA 0.136 4.611 4.470 0.009 0.000 0.313 113 S C -1.003 173.606 174.600 0.015 0.000 1.079 113 S CA -0.707 57.497 58.200 0.007 0.000 1.104 113 S CB 0.206 63.405 63.200 -0.003 0.000 0.969 113 S HN 0.074 8.752 8.310 0.003 -0.365 0.471 114 L N 6.741 127.977 121.223 0.022 0.000 2.349 114 L HA 0.060 4.546 4.340 0.035 -0.126 0.275 114 L C -0.331 176.553 176.870 0.023 0.000 1.115 114 L CA -0.023 54.835 54.840 0.030 0.000 0.820 114 L CB 0.284 42.365 42.059 0.038 0.000 1.135 114 L HN 0.312 8.555 8.230 0.021 0.000 0.445 115 N N 3.686 122.401 118.700 0.025 0.000 3.522 115 N HA 0.197 4.948 4.740 0.018 0.000 0.328 115 N C -0.300 175.224 175.510 0.023 0.000 1.623 115 N CA -0.583 52.478 53.050 0.019 0.000 0.812 115 N CB 0.868 39.361 38.487 0.010 0.000 2.008 115 N HN 0.464 8.747 8.380 0.031 0.115 0.601 116 S N -0.915 114.796 115.700 0.019 0.000 2.382 116 S HA -0.262 4.223 4.470 0.026 0.000 0.228 116 S C 0.511 175.123 174.600 0.020 0.000 1.027 116 S CA 3.011 61.224 58.200 0.020 0.000 0.991 116 S CB -0.208 63.000 63.200 0.015 0.000 0.823 116 S HN 0.330 8.648 8.310 0.014 0.000 0.469 117 R N -1.659 118.850 120.500 0.015 0.000 2.276 117 R HA -0.093 4.250 4.340 0.006 0.000 0.196 117 R C -1.353 174.958 176.300 0.018 0.000 0.961 117 R CA 0.818 56.925 56.100 0.012 0.000 1.024 117 R CB 0.904 31.210 30.300 0.010 0.000 0.940 117 R HN -0.204 8.300 8.270 0.013 -0.225 0.480 118 V N -1.374 118.557 119.914 0.028 0.000 2.419 118 V HA 0.284 4.623 4.120 0.045 -0.192 0.287 118 V C -2.026 174.103 176.094 0.058 0.000 1.017 118 V CA -1.132 61.194 62.300 0.043 0.000 0.844 118 V CB 2.011 33.857 31.823 0.038 0.000 1.011 118 V HN -0.681 7.506 8.190 0.027 0.020 0.429 119 A N 7.135 130.006 122.820 0.085 0.000 2.479 119 A HA 0.646 5.016 4.320 0.083 0.000 0.296 119 A C -2.634 175.040 177.584 0.151 0.000 1.121 119 A CA -1.931 50.170 52.037 0.106 0.000 0.743 119 A CB 2.907 21.974 19.000 0.112 0.000 1.323 119 A HN 0.075 8.157 8.150 0.088 0.121 0.415 120 S N -1.753 114.023 115.700 0.127 0.000 2.713 120 S HA 0.651 5.346 4.470 0.165 -0.126 0.283 120 S C -0.883 173.778 174.600 0.102 0.000 1.161 120 S CA -1.015 57.262 58.200 0.128 0.000 0.999 120 S CB 2.022 65.276 63.200 0.090 0.000 1.039 120 S HN -0.031 8.338 8.310 0.098 0.000 0.548 121 I N 0.439 121.029 120.570 0.034 0.000 2.603 121 I HA 0.275 4.380 4.170 -0.109 0.000 0.300 121 I C -1.671 174.402 176.117 -0.073 0.000 1.017 121 I CA -1.673 59.553 61.300 -0.124 0.000 1.098 121 I CB 4.076 41.811 38.000 -0.442 0.000 1.279 121 I HN 0.384 8.628 8.210 0.057 0.000 0.437 122 S N 6.311 121.963 115.700 -0.081 0.000 2.584 122 S HA 0.235 4.690 4.470 -0.025 0.000 0.273 122 S C -0.755 173.818 174.600 -0.045 0.000 1.311 122 S CA -0.367 57.806 58.200 -0.045 0.000 1.034 122 S CB 0.690 63.867 63.200 -0.037 0.000 0.939 122 S HN 0.320 8.566 8.310 -0.107 0.000 0.513 123 L N 2.587 123.797 121.223 -0.021 0.000 2.399 123 L HA 0.191 4.530 4.340 -0.003 0.000 0.266 123 L C -1.074 175.791 176.870 -0.008 0.000 1.114 123 L CA -2.225 52.612 54.840 -0.004 0.000 0.804 123 L CB 0.164 42.228 42.059 0.009 0.000 1.146 123 L HN 0.237 8.458 8.230 -0.016 0.000 0.451 124 P HA 0.097 4.505 4.420 -0.019 0.000 0.274 124 P C -1.063 176.236 177.300 -0.003 0.000 1.231 124 P CA -0.395 62.700 63.100 -0.007 0.000 0.790 124 P CB 0.415 32.111 31.700 -0.007 0.000 0.951 128 c N 0.688 119.263 118.600 -0.042 0.000 2.443 128 c HA 0.110 4.641 4.570 -0.065 0.000 0.369 128 c C 0.073 174.104 174.090 -0.098 0.000 1.241 128 c CA -0.424 55.864 56.329 -0.067 0.000 2.413 128 c CB 0.567 43.042 42.510 -0.059 0.000 2.451 128 c HN -0.044 8.164 8.230 -0.036 0.000 0.595 129 A N 1.841 124.566 122.820 -0.158 0.000 2.293 129 A HA 0.072 4.319 4.320 -0.122 0.000 0.302 129 A C -1.004 176.476 177.584 -0.173 0.000 1.119 129 A CA -0.262 51.673 52.037 -0.169 0.000 0.823 129 A CB 0.878 19.743 19.000 -0.225 0.000 1.097 129 A HN 0.143 8.173 8.150 -0.199 0.000 0.491 133 G N 0.642 109.401 108.800 -0.068 0.000 2.279 133 G HA2 -0.231 3.695 3.960 -0.056 0.000 0.223 133 G HA3 -0.231 3.700 3.960 -0.048 0.000 0.223 133 G C 0.324 175.185 174.900 -0.065 0.000 1.015 133 G CA -0.131 44.934 45.100 -0.059 0.000 0.621 133 G HN 0.489 8.621 8.290 -0.074 0.113 0.506 134 T N 4.320 118.825 114.554 -0.082 0.000 2.928 134 T HA -0.154 4.159 4.350 -0.061 0.000 0.305 134 T C -0.746 173.908 174.700 -0.077 0.000 1.035 134 T CA 2.291 64.342 62.100 -0.080 0.000 1.145 134 T CB 0.425 69.228 68.868 -0.107 0.000 0.963 134 T HN -0.467 7.634 8.240 -0.094 0.082 0.545 135 Q N 4.413 124.182 119.800 -0.051 0.000 2.243 135 Q HA 0.115 4.551 4.340 -0.041 -0.121 0.252 135 Q C -0.895 175.086 176.000 -0.032 0.000 0.909 135 Q CA 0.046 55.831 55.803 -0.031 0.000 0.922 135 Q CB 1.378 30.116 28.738 0.000 0.000 1.215 135 Q HN 0.236 8.481 8.270 -0.043 0.000 0.427 136 c N 1.378 119.961 118.600 -0.028 0.000 2.913 136 c HA 0.654 5.330 4.570 -0.022 -0.120 0.322 136 c C -1.617 172.480 174.090 0.012 0.000 1.292 136 c CA -1.328 54.986 56.329 -0.025 0.000 1.649 136 c CB 4.245 46.717 42.510 -0.062 0.000 2.139 136 c HN 0.684 8.789 8.230 -0.026 0.110 0.475 137 L N 0.834 122.071 121.223 0.023 0.000 2.349 137 L HA 0.802 5.349 4.340 0.058 -0.173 0.278 137 L C -2.310 174.578 176.870 0.030 0.000 0.996 137 L CA -1.254 53.616 54.840 0.050 0.000 0.825 137 L CB 3.402 45.514 42.059 0.088 0.000 1.243 137 L HN 0.700 8.831 8.230 0.013 0.107 0.412 138 I N 7.719 128.291 120.570 0.004 0.000 2.474 138 I HA 0.875 5.292 4.170 0.018 -0.236 0.294 138 I C -1.355 174.734 176.117 -0.046 0.000 1.005 138 I CA -1.522 59.776 61.300 -0.003 0.000 1.113 138 I CB 2.561 40.560 38.000 -0.001 0.000 1.289 138 I HN 0.912 9.126 8.210 0.007 0.000 0.436 139 S N 2.827 118.495 115.700 -0.053 0.000 2.588 139 S HA 1.025 5.525 4.470 -0.219 -0.162 0.275 139 S C -1.162 173.328 174.600 -0.183 0.000 1.130 139 S CA -1.782 56.312 58.200 -0.177 0.000 0.855 139 S CB 3.785 66.845 63.200 -0.233 0.000 1.116 139 S HN -0.192 8.119 8.310 0.003 0.000 0.472 140 G N -1.294 107.305 108.800 -0.335 0.000 2.316 140 G HA2 0.168 3.908 3.960 -0.367 0.000 0.296 140 G HA3 0.168 4.234 3.960 -0.042 -0.131 0.296 140 G C -2.447 172.239 174.900 -0.356 0.000 1.399 140 G CA 0.617 45.550 45.100 -0.277 0.000 0.833 140 G HN 0.352 8.384 8.290 -0.429 0.000 0.565 141 W N 1.135 122.406 121.300 -0.049 0.000 3.015 141 W HA 0.423 5.035 4.660 -0.081 0.000 0.429 141 W C -0.317 176.229 176.519 0.045 0.000 0.976 141 W CA -0.983 56.300 57.345 -0.103 0.000 2.086 141 W CB 0.188 29.417 29.460 -0.385 0.000 1.125 141 W HN 0.583 8.971 8.180 0.346 0.000 0.721 142 G N 0.708 109.645 108.800 0.230 0.000 2.588 142 G HA2 0.004 4.232 3.960 0.447 0.000 0.281 142 G HA3 0.004 4.248 3.960 0.199 -0.165 0.281 142 G C -0.856 173.990 174.900 -0.090 0.000 1.236 142 G CA -0.947 44.283 45.100 0.217 0.000 0.969 142 G HN -0.302 8.233 8.290 0.137 -0.163 0.504 143 N N -0.273 118.193 118.700 -0.390 0.000 2.294 143 N HA -0.320 3.909 4.740 -1.156 -0.182 0.248 143 N C 0.698 176.042 175.510 -0.276 0.000 1.242 143 N CA 1.418 54.062 53.050 -0.677 0.000 0.848 143 N CB 0.534 38.712 38.487 -0.515 0.000 1.084 143 N HN 0.184 8.455 8.380 -0.182 0.000 0.457 144 T N -0.676 113.738 114.554 -0.234 0.000 3.132 144 T HA 0.196 4.610 4.350 -0.090 -0.118 0.274 144 T C -0.141 174.511 174.700 -0.080 0.000 1.011 144 T CA 0.032 62.063 62.100 -0.114 0.000 0.899 144 T CB 1.378 70.197 68.868 -0.082 0.000 1.089 144 T HN 0.202 8.266 8.240 -0.294 0.000 0.543 145 K N 1.493 121.839 120.400 -0.091 0.000 2.316 145 K HA 0.380 4.680 4.320 -0.034 0.000 0.251 145 K C -0.374 176.206 176.600 -0.033 0.000 0.934 145 K CA -2.108 54.150 56.287 -0.048 0.000 0.802 145 K CB 2.698 35.173 32.500 -0.041 0.000 1.171 145 K HN -0.696 7.659 8.250 -0.137 -0.188 0.426 146 S N 1.663 117.355 115.700 -0.013 0.000 2.356 146 S HA -0.137 4.335 4.470 0.004 0.000 0.219 146 S C 0.222 174.826 174.600 0.007 0.000 1.036 146 S CA 2.050 60.251 58.200 0.002 0.000 0.965 146 S CB 0.542 63.748 63.200 0.010 0.000 0.864 146 S HN 0.226 8.530 8.310 -0.011 0.000 0.471 147 S N 1.459 117.162 115.700 0.005 0.000 2.665 147 S HA 0.104 4.583 4.470 0.015 0.000 0.230 147 S C -1.083 173.521 174.600 0.008 0.000 1.326 147 S CA 0.011 58.217 58.200 0.010 0.000 1.055 147 S CB -0.733 62.474 63.200 0.011 0.000 1.178 147 S HN -0.352 7.959 8.310 0.002 0.000 0.489 148 G N 2.605 111.410 108.800 0.009 0.000 2.356 148 G HA2 -0.132 3.840 3.960 0.020 0.000 0.300 148 G HA3 -0.132 3.831 3.960 0.006 0.000 0.300 148 G C -2.683 172.221 174.900 0.006 0.000 1.331 148 G CA -0.020 45.086 45.100 0.011 0.000 0.905 148 G HN -0.668 7.628 8.290 0.010 0.000 0.587 149 T N 0.151 114.717 114.554 0.020 0.000 2.847 149 T HA 0.169 4.660 4.350 -0.040 -0.165 0.291 149 T C -1.604 173.110 174.700 0.023 0.000 0.998 149 T CA -0.194 61.925 62.100 0.030 0.000 0.967 149 T CB 1.751 70.700 68.868 0.135 0.000 0.954 149 T HN -0.099 8.159 8.240 0.030 0.000 0.441 150 S N 6.434 122.079 115.700 -0.091 0.000 2.736 150 S HA 0.247 4.757 4.470 0.066 0.000 0.285 150 S C -2.168 172.346 174.600 -0.143 0.000 1.163 150 S CA -0.532 57.649 58.200 -0.031 0.000 1.025 150 S CB 1.349 64.528 63.200 -0.036 0.000 1.030 150 S HN 0.651 9.217 8.310 -0.243 -0.402 0.486 151 Y N 5.821 126.151 120.300 0.049 0.000 2.331 151 Y HA 0.224 4.819 4.550 0.075 0.000 0.338 151 Y C -1.178 174.761 175.900 0.065 0.000 0.976 151 Y CA -2.793 55.347 58.100 0.066 0.000 1.137 151 Y CB 1.302 39.805 38.460 0.072 0.000 1.172 151 Y HN 0.128 8.574 8.280 0.277 0.000 0.478 152 P HA 0.244 4.729 4.420 0.109 0.000 0.279 152 P C -1.804 175.618 177.300 0.203 0.000 1.252 152 P CA -1.039 62.145 63.100 0.140 0.000 0.811 152 P CB 2.055 33.805 31.700 0.083 0.000 1.035 153 D N -1.689 118.812 120.400 0.169 0.000 2.392 153 D HA 0.022 4.748 4.640 0.144 0.000 0.206 153 D C -0.930 175.542 176.300 0.287 0.000 1.046 153 D CA 1.028 55.129 54.000 0.170 0.000 0.865 153 D CB 0.923 41.778 40.800 0.091 0.000 0.969 153 D HN 0.406 8.853 8.370 0.128 0.000 0.509 154 V N -6.737 113.328 119.914 0.252 0.000 2.850 154 V HA 0.681 5.283 4.120 0.362 -0.265 0.315 154 V C -0.650 175.472 176.094 0.046 0.000 1.064 154 V CA -2.626 59.812 62.300 0.230 0.000 0.979 154 V CB 2.136 34.017 31.823 0.097 0.000 1.039 154 V HN -1.009 7.284 8.190 0.172 0.000 0.452 155 L N 2.542 123.654 121.223 -0.185 0.000 2.455 155 L HA -0.052 3.496 4.340 -1.319 0.000 0.272 155 L C -0.507 176.102 176.870 -0.436 0.000 1.174 155 L CA 0.782 55.194 54.840 -0.714 0.000 0.869 155 L CB 0.452 42.087 42.059 -0.708 0.000 1.130 155 L HN -0.019 8.363 8.230 0.012 -0.145 0.474 156 K N 5.481 125.600 120.400 -0.467 0.000 2.203 156 K HA 0.757 5.037 4.320 -0.351 -0.170 0.251 156 K C -1.183 175.150 176.600 -0.444 0.000 0.944 156 K CA -2.620 53.446 56.287 -0.369 0.000 0.829 156 K CB 2.653 35.005 32.500 -0.246 0.000 1.125 156 K HN 0.078 7.978 8.250 -0.583 0.000 0.430 157 c N -0.419 117.808 118.600 -0.621 0.000 2.707 157 c HA 0.977 5.483 4.570 -0.407 -0.180 0.313 157 c C -1.831 171.905 174.090 -0.589 0.000 1.209 157 c CA -0.834 55.089 56.329 -0.677 0.000 1.635 157 c CB 3.742 45.653 42.510 -0.998 0.000 2.206 157 c HN 0.799 8.585 8.230 -0.741 0.000 0.485 158 L N 0.904 121.990 121.223 -0.230 0.000 2.505 158 L HA 0.449 4.838 4.340 0.081 0.000 0.266 158 L C -2.530 174.409 176.870 0.114 0.000 0.954 158 L CA 0.114 54.960 54.840 0.010 0.000 0.852 158 L CB 4.334 46.407 42.059 0.024 0.000 1.282 158 L HN 0.765 8.888 8.230 -0.178 0.000 0.403 159 K N 7.691 128.218 120.400 0.212 0.000 2.211 159 K HA 0.833 5.467 4.320 0.129 -0.237 0.275 159 K C -1.325 175.408 176.600 0.222 0.000 1.024 159 K CA -0.859 55.535 56.287 0.180 0.000 0.887 159 K CB 1.144 33.750 32.500 0.177 0.000 1.084 159 K HN 0.321 8.730 8.250 0.265 0.000 0.463 160 A N 3.968 126.865 122.820 0.129 0.000 2.520 160 A HA 0.664 5.059 4.320 0.125 0.000 0.298 160 A C -3.336 174.196 177.584 -0.085 0.000 1.051 160 A CA -2.644 49.424 52.037 0.051 0.000 0.690 160 A CB 2.784 21.817 19.000 0.056 0.000 1.281 160 A HN 0.450 8.641 8.150 0.068 0.000 0.402 161 P HA 0.739 5.304 4.420 -0.102 -0.206 0.282 161 P C -1.135 176.087 177.300 -0.131 0.000 1.259 161 P CA -1.487 61.522 63.100 -0.152 0.000 0.826 161 P CB 1.738 33.344 31.700 -0.158 0.000 1.064 162 I N -0.586 119.926 120.570 -0.097 0.000 2.474 162 I HA -0.020 4.290 4.170 0.043 -0.114 0.287 162 I C 0.195 176.290 176.117 -0.036 0.000 1.048 162 I CA 0.385 61.655 61.300 -0.050 0.000 1.383 162 I CB 0.417 38.317 38.000 -0.166 0.000 1.412 162 I HN 0.064 8.209 8.210 -0.107 0.000 0.531 163 L N 6.466 127.704 121.223 0.025 0.000 2.375 163 L HA 0.267 4.593 4.340 -0.024 0.000 0.268 163 L C -0.490 176.398 176.870 0.029 0.000 1.058 163 L CA -1.010 53.837 54.840 0.012 0.000 0.803 163 L CB 0.744 42.820 42.059 0.029 0.000 1.212 163 L HN 0.382 8.570 8.230 0.103 0.104 0.451 164 S N -0.119 115.590 115.700 0.015 0.000 2.585 164 S HA -0.063 4.415 4.470 0.012 0.000 0.273 164 S C 0.548 175.174 174.600 0.043 0.000 1.339 164 S CA -0.670 57.541 58.200 0.019 0.000 1.028 164 S CB 1.134 64.339 63.200 0.009 0.000 0.906 164 S HN 0.150 8.463 8.310 0.005 0.000 0.528 165 D N 2.810 123.238 120.400 0.047 0.000 2.178 165 D HA -0.261 4.430 4.640 0.086 0.000 0.201 165 D C 1.983 178.317 176.300 0.056 0.000 0.980 165 D CA 3.502 57.540 54.000 0.064 0.000 0.842 165 D CB -0.420 40.417 40.800 0.060 0.000 0.948 165 D HN 0.512 8.903 8.370 0.034 0.000 0.472 166 S N -1.024 114.699 115.700 0.039 0.000 2.368 166 S HA -0.358 4.134 4.470 0.036 0.000 0.225 166 S C 1.698 176.317 174.600 0.032 0.000 1.030 166 S CA 3.229 61.448 58.200 0.032 0.000 0.999 166 S CB -0.151 63.062 63.200 0.021 0.000 0.844 166 S HN 0.136 8.447 8.310 0.031 0.018 0.459 167 S N 1.542 117.259 115.700 0.029 0.000 2.461 167 S HA -0.114 4.363 4.470 0.010 0.000 0.228 167 S C 1.918 176.538 174.600 0.033 0.000 1.005 167 S CA 2.754 60.966 58.200 0.020 0.000 0.942 167 S CB -0.066 63.142 63.200 0.013 0.000 0.776 167 S HN -0.523 7.804 8.310 0.028 0.000 0.514 168 c N 3.869 122.508 118.600 0.064 0.000 2.476 168 c HA -0.194 4.447 4.570 0.119 0.000 0.278 168 c C 1.742 175.917 174.090 0.142 0.000 1.274 168 c CA 2.493 58.889 56.329 0.112 0.000 1.713 168 c CB -1.699 40.880 42.510 0.116 0.000 2.039 168 c HN -0.326 7.809 8.230 0.062 0.132 0.484 169 K N -0.602 119.865 120.400 0.110 0.000 2.148 169 K HA -0.330 4.090 4.320 0.166 0.000 0.204 169 K C 2.181 178.828 176.600 0.080 0.000 1.050 169 K CA 3.153 59.510 56.287 0.116 0.000 0.942 169 K CB -0.055 32.497 32.500 0.086 0.000 0.724 169 K HN 0.258 8.454 8.250 0.089 0.107 0.446 170 S N -1.157 114.566 115.700 0.038 0.000 2.402 170 S HA -0.246 4.233 4.470 0.016 0.000 0.229 170 S C 0.842 175.416 174.600 -0.044 0.000 1.021 170 S CA 2.821 61.023 58.200 0.004 0.000 0.974 170 S CB -0.067 63.130 63.200 -0.004 0.000 0.800 170 S HN -0.410 7.921 8.310 0.036 0.000 0.484 171 A N -0.619 122.142 122.820 -0.098 0.000 1.968 171 A HA -0.059 4.097 4.320 -0.273 0.000 0.217 171 A C -0.642 176.659 177.584 -0.472 0.000 1.169 171 A CA 1.741 53.580 52.037 -0.331 0.000 0.638 171 A CB 0.844 19.566 19.000 -0.463 0.000 0.812 171 A HN -0.805 7.294 8.150 -0.044 0.024 0.446 172 Y N -5.067 115.275 120.300 0.069 0.000 2.562 172 Y HA 0.516 5.142 4.550 0.126 0.000 0.363 172 Y C -2.589 173.375 175.900 0.106 0.000 0.991 172 Y CA -3.139 55.037 58.100 0.126 0.000 1.121 172 Y CB -0.132 38.465 38.460 0.228 0.000 1.159 172 Y HN -0.575 7.667 8.280 0.093 0.093 0.651 173 P HA -0.116 4.465 4.420 0.101 -0.100 0.261 173 P C 0.823 178.190 177.300 0.112 0.000 1.183 173 P CA 1.159 64.324 63.100 0.108 0.000 0.761 173 P CB 0.052 31.789 31.700 0.062 0.000 0.785 174 G N 4.059 112.917 108.800 0.096 0.000 2.175 174 G HA2 -0.377 3.619 3.960 0.061 0.000 0.265 174 G HA3 -0.377 3.615 3.960 0.053 0.000 0.265 174 G C 0.120 175.069 174.900 0.081 0.000 0.979 174 G CA 0.759 45.903 45.100 0.072 0.000 0.663 174 G HN 0.545 8.890 8.290 0.092 0.000 0.533 175 Q N -2.152 117.733 119.800 0.141 0.000 2.316 175 Q HA 0.072 4.443 4.340 0.051 0.000 0.235 175 Q C -0.213 175.913 176.000 0.211 0.000 0.863 175 Q CA -0.087 55.803 55.803 0.145 0.000 0.939 175 Q CB 1.598 30.464 28.738 0.213 0.000 1.108 175 Q HN -0.342 7.978 8.270 0.184 0.061 0.522 176 I N -0.109 120.588 120.570 0.211 0.000 2.396 176 I HA 0.012 4.327 4.170 0.242 0.000 0.292 176 I C -0.023 176.170 176.117 0.127 0.000 0.999 176 I CA -1.984 59.430 61.300 0.189 0.000 1.310 176 I CB -0.413 37.686 38.000 0.166 0.000 1.404 176 I HN -0.507 7.819 8.210 0.194 0.000 0.496 177 T N 1.622 116.249 114.554 0.121 0.000 2.919 177 T HA 0.383 4.775 4.350 0.071 0.000 0.282 177 T C 0.689 175.440 174.700 0.085 0.000 1.020 177 T CA -2.164 59.987 62.100 0.085 0.000 0.994 177 T CB 2.681 71.593 68.868 0.073 0.000 1.180 177 T HN -0.434 7.893 8.240 0.145 0.000 0.566 178 S N -2.046 113.691 115.700 0.061 0.000 2.547 178 S HA -0.235 4.273 4.470 0.063 0.000 0.235 178 S C 0.258 174.897 174.600 0.066 0.000 0.980 178 S CA 2.158 60.390 58.200 0.053 0.000 0.941 178 S CB -0.214 62.998 63.200 0.020 0.000 0.763 178 S HN 0.283 8.621 8.310 0.047 0.000 0.532 179 N N 0.241 118.992 118.700 0.086 0.000 2.251 179 N HA 0.177 4.983 4.740 0.109 0.000 0.217 179 N C -1.654 173.969 175.510 0.187 0.000 1.124 179 N CA -0.555 52.577 53.050 0.137 0.000 0.843 179 N CB 0.776 39.367 38.487 0.174 0.000 1.024 179 N HN -0.648 7.707 8.380 0.084 0.075 0.501 180 M N -1.259 118.435 119.600 0.156 0.000 2.593 180 M HA 0.830 5.567 4.480 0.058 -0.222 0.290 180 M C -2.170 174.221 176.300 0.151 0.000 1.244 180 M CA -0.342 55.016 55.300 0.097 0.000 0.857 180 M CB 5.203 37.838 32.600 0.057 0.000 1.738 180 M HN -0.679 7.616 8.290 0.143 0.081 0.461 181 F N -5.411 114.574 119.950 0.059 0.000 2.662 181 F HA 0.631 5.182 4.527 0.041 0.000 0.312 181 F C -2.724 173.124 175.800 0.081 0.000 1.113 181 F CA -2.118 55.917 58.000 0.058 0.000 0.951 181 F CB 2.265 41.299 39.000 0.057 0.000 1.344 181 F HN 0.033 8.152 8.300 -0.300 0.000 0.462 182 c N -0.702 118.053 118.600 0.258 0.000 2.454 182 c HA 0.969 5.772 4.570 0.099 -0.174 0.336 182 c C -1.274 173.011 174.090 0.327 0.000 1.189 182 c CA -1.205 55.237 56.329 0.187 0.000 1.877 182 c CB 3.295 45.873 42.510 0.113 0.000 2.348 182 c HN 0.861 9.294 8.230 0.338 0.000 0.508 183 A N 2.475 125.475 122.820 0.300 0.000 2.476 183 A HA 0.662 5.167 4.320 0.079 -0.137 0.280 183 A C -2.411 175.232 177.584 0.099 0.000 1.081 183 A CA -0.386 51.734 52.037 0.139 0.000 0.753 183 A CB 2.767 21.755 19.000 -0.021 0.000 1.248 183 A HN 0.243 8.620 8.150 0.378 0.000 0.424 184 Y N 2.606 122.940 120.300 0.055 0.000 2.350 184 Y HA 0.106 4.677 4.550 0.035 0.000 0.340 184 Y C 1.031 176.950 175.900 0.031 0.000 1.006 184 Y CA -0.332 57.790 58.100 0.038 0.000 1.166 184 Y CB 0.443 38.922 38.460 0.032 0.000 1.168 184 Y HN 0.269 8.723 8.280 0.290 0.000 0.502 185 L N 4.099 125.389 121.223 0.111 0.000 2.275 185 L HA -0.357 4.016 4.340 0.054 0.000 0.215 185 L C 1.101 178.017 176.870 0.076 0.000 1.119 185 L CA 2.526 57.406 54.840 0.067 0.000 0.790 185 L CB -0.526 41.552 42.059 0.032 0.000 0.919 185 L HN 0.572 8.846 8.230 0.073 0.000 0.443 186 E N -2.564 117.701 120.200 0.108 0.000 2.268 186 E HA -0.161 4.219 4.350 0.050 0.000 0.195 186 E C 0.888 177.528 176.600 0.066 0.000 0.995 186 E CA 0.546 56.990 56.400 0.075 0.000 0.836 186 E CB -0.353 29.391 29.700 0.073 0.000 0.763 186 E HN 0.207 8.624 8.360 0.153 0.034 0.491 187 G N 0.641 109.502 108.800 0.101 0.000 3.409 187 G HA2 -0.380 3.751 3.960 0.102 0.000 0.686 187 G HA3 -0.380 3.666 3.960 0.053 -0.054 0.686 187 G C -0.935 173.995 174.900 0.050 0.000 1.017 187 G CA -0.377 44.770 45.100 0.079 0.000 0.854 187 G HN -0.512 7.709 8.290 0.157 0.163 0.508 188 K N 1.964 122.363 120.400 -0.001 0.000 7.249 188 K HA -0.600 3.970 4.320 0.007 -0.245 0.614 188 K C -1.250 175.434 176.600 0.141 0.000 2.577 188 K CA 0.923 57.227 56.287 0.028 0.000 1.968 188 K CB 0.252 32.687 32.500 -0.109 0.000 1.936 188 K HN 0.385 8.660 8.250 0.041 0.000 0.285 189 D N -0.486 119.985 120.400 0.118 0.000 2.926 189 D HA 0.218 4.974 4.640 0.192 0.000 0.282 189 D C -1.976 174.389 176.300 0.108 0.000 1.201 189 D CA -0.410 53.674 54.000 0.140 0.000 0.735 189 D CB 3.610 44.478 40.800 0.112 0.000 1.257 189 D HN 0.007 8.424 8.370 0.079 0.000 0.428 190 S N -1.377 114.403 115.700 0.132 0.000 2.669 190 S HA 0.223 4.747 4.470 0.089 0.000 0.270 190 S C -1.459 173.182 174.600 0.068 0.000 1.225 190 S CA -0.177 58.090 58.200 0.112 0.000 0.991 190 S CB 1.487 64.794 63.200 0.177 0.000 0.987 190 S HN 0.284 8.692 8.310 0.162 0.000 0.552 191 c N -1.247 117.393 118.600 0.067 0.000 3.336 191 c HA 0.308 4.912 4.570 0.056 0.000 0.339 191 c C -1.216 172.936 174.090 0.105 0.000 1.468 191 c CA -1.003 55.362 56.329 0.060 0.000 1.287 191 c CB 3.119 45.640 42.510 0.019 0.000 1.682 191 c HN 0.399 8.960 8.230 0.083 -0.282 0.451 192 Q N 0.871 120.745 119.800 0.123 0.000 2.364 192 Q HA -0.111 4.349 4.340 0.201 0.000 0.267 192 Q C 0.628 176.805 176.000 0.295 0.000 0.999 192 Q CA 0.703 56.628 55.803 0.203 0.000 0.886 192 Q CB -0.136 28.729 28.738 0.213 0.000 1.243 192 Q HN 0.544 8.871 8.270 0.095 0.000 0.415 193 G N 3.908 112.908 108.800 0.333 0.000 2.253 193 G HA2 -0.386 3.818 3.960 0.407 0.000 0.209 193 G HA3 -0.386 3.931 3.960 0.595 0.000 0.209 193 G C 0.262 175.409 174.900 0.411 0.000 0.997 193 G CA 0.844 46.213 45.100 0.448 0.000 0.640 193 G HN 0.832 9.294 8.290 0.286 0.000 0.496 194 D N 1.358 121.927 120.400 0.281 0.000 2.354 194 D HA 0.116 4.912 4.640 0.260 0.000 0.209 194 D C -0.117 176.297 176.300 0.189 0.000 1.015 194 D CA 0.844 54.978 54.000 0.223 0.000 0.867 194 D CB 0.530 41.421 40.800 0.151 0.000 0.933 194 D HN -0.094 8.322 8.370 0.243 0.099 0.520 195 S N -0.537 115.281 115.700 0.196 0.000 2.573 195 S HA -0.328 4.381 4.470 0.195 -0.122 0.297 195 S C 1.143 175.781 174.600 0.063 0.000 1.280 195 S CA 2.474 60.781 58.200 0.179 0.000 1.061 195 S CB -0.437 62.942 63.200 0.298 0.000 0.812 195 S HN -0.195 8.199 8.310 0.224 0.050 0.500 196 G N 4.772 113.592 108.800 0.034 0.000 2.241 196 G HA2 -0.428 3.588 3.960 -0.023 0.000 0.244 196 G HA3 -0.428 3.627 3.960 -0.049 -0.125 0.244 196 G C -0.112 174.828 174.900 0.067 0.000 0.998 196 G CA 0.272 45.371 45.100 -0.001 0.000 0.621 196 G HN 0.639 8.869 8.290 0.077 0.106 0.519 197 G N 1.227 110.092 108.800 0.109 0.000 2.667 197 G HA2 0.212 4.253 3.960 0.134 0.000 0.250 197 G HA3 0.212 4.252 3.960 0.133 0.000 0.250 197 G C -2.531 172.456 174.900 0.144 0.000 1.212 197 G CA -1.705 43.475 45.100 0.132 0.000 0.874 197 G HN -0.350 7.910 8.290 0.117 0.101 0.561 198 P HA 0.297 4.926 4.420 0.136 -0.127 0.282 198 P C -1.577 175.794 177.300 0.117 0.000 1.249 198 P CA -0.789 62.405 63.100 0.157 0.000 0.806 198 P CB 1.517 33.366 31.700 0.250 0.000 0.984 199 V N 2.444 122.406 119.914 0.080 0.000 2.419 199 V HA 0.332 4.635 4.120 -0.005 -0.186 0.287 199 V C -1.297 174.807 176.094 0.017 0.000 1.017 199 V CA -0.440 61.869 62.300 0.015 0.000 0.844 199 V CB 1.880 33.686 31.823 -0.028 0.000 1.011 199 V HN -0.240 8.002 8.190 0.086 0.000 0.429 200 V N 8.016 127.930 119.914 -0.001 0.000 2.459 200 V HA 0.700 4.966 4.120 -0.073 -0.191 0.295 200 V C -1.397 174.673 176.094 -0.039 0.000 1.029 200 V CA -1.358 60.910 62.300 -0.052 0.000 0.874 200 V CB 3.209 34.967 31.823 -0.109 0.000 0.985 200 V HN 0.701 8.906 8.190 0.024 0.000 0.438 201 c N 6.089 124.653 118.600 -0.061 0.000 2.482 201 c HA 0.595 5.139 4.570 -0.044 0.000 0.317 201 c C 0.520 174.575 174.090 -0.058 0.000 1.197 201 c CA -1.574 54.718 56.329 -0.062 0.000 1.432 201 c CB 2.069 44.520 42.510 -0.099 0.000 2.062 201 c HN 0.669 8.856 8.230 -0.072 0.000 0.471 202 S N 5.265 120.940 115.700 -0.042 0.000 3.549 202 S HA -0.382 4.073 4.470 -0.024 0.000 0.366 202 S C 0.124 174.702 174.600 -0.037 0.000 1.012 202 S CA 1.255 59.434 58.200 -0.035 0.000 1.141 202 S CB -0.911 62.264 63.200 -0.041 0.000 0.910 202 S HN 1.216 9.507 8.310 -0.033 0.000 0.471 203 G N -5.150 103.627 108.800 -0.039 0.000 2.148 203 G HA2 -0.362 3.570 3.960 -0.048 0.000 0.254 203 G HA3 -0.362 3.578 3.960 -0.034 0.000 0.254 203 G C -0.764 174.087 174.900 -0.082 0.000 0.981 203 G CA 0.344 45.414 45.100 -0.050 0.000 0.670 203 G HN 0.407 8.659 8.290 -0.033 0.018 0.528 210 Q N 1.274 121.090 119.800 0.027 0.000 2.378 210 Q HA 0.211 4.587 4.340 0.059 0.000 0.229 210 Q C -0.303 175.858 176.000 0.270 0.000 0.882 210 Q CA 0.074 55.915 55.803 0.064 0.000 0.936 210 Q CB 2.740 31.427 28.738 -0.085 0.000 1.092 210 Q HN 0.402 8.678 8.270 0.009 0.000 0.535 211 G N -2.933 106.040 108.800 0.288 0.000 2.695 211 G HA2 0.582 5.029 3.960 0.410 0.000 0.290 211 G HA3 0.582 4.834 3.960 0.487 0.000 0.290 211 G C -3.276 171.750 174.900 0.210 0.000 1.410 211 G CA -0.465 44.856 45.100 0.369 0.000 0.844 211 G HN -0.336 8.058 8.290 0.173 0.000 0.478 212 I N -1.404 119.282 120.570 0.194 0.000 2.498 212 I HA 0.593 5.086 4.170 0.160 -0.227 0.290 212 I C -0.457 175.783 176.117 0.204 0.000 1.032 212 I CA -1.449 59.947 61.300 0.160 0.000 1.073 212 I CB 4.260 42.313 38.000 0.088 0.000 1.251 212 I HN -0.421 7.895 8.210 0.177 0.000 0.426 213 V N 7.146 127.196 119.914 0.227 0.000 2.458 213 V HA -0.214 3.957 4.120 0.085 0.000 0.287 213 V C -1.084 175.047 176.094 0.063 0.000 1.009 213 V CA 2.067 64.456 62.300 0.148 0.000 1.091 213 V CB -1.065 30.867 31.823 0.182 0.000 0.960 213 V HN 0.404 8.715 8.190 0.202 0.000 0.476 214 S N 8.245 123.884 115.700 -0.101 0.000 3.142 214 S HA 0.390 5.084 4.470 0.374 0.000 0.223 214 S C -1.157 173.525 174.600 0.137 0.000 0.939 214 S CA 0.738 59.014 58.200 0.125 0.000 0.826 214 S CB 2.212 65.458 63.200 0.076 0.000 0.823 214 S HN -0.027 8.020 8.310 -0.438 0.000 0.612 215 W N -3.933 117.204 121.300 -0.271 0.000 2.940 215 W HA 0.316 4.849 4.660 -0.211 0.000 0.394 215 W C -2.802 173.536 176.519 -0.301 0.000 1.155 215 W CA -1.157 56.029 57.345 -0.265 0.000 1.165 215 W CB 1.706 31.005 29.460 -0.269 0.000 1.492 215 W HN -0.074 7.777 8.180 -0.548 0.000 0.593 216 G N -2.612 106.229 108.800 0.069 0.000 2.428 216 G HA2 0.252 3.954 3.960 -0.429 0.000 0.304 216 G HA3 0.252 4.152 3.960 -0.100 0.000 0.304 216 G C -2.267 172.764 174.900 0.218 0.000 1.303 216 G CA 0.133 45.184 45.100 -0.082 0.000 0.825 216 G HN -0.006 8.485 8.290 0.335 0.000 0.484 220 c N 1.752 120.385 118.600 0.056 0.000 3.414 220 c HA 0.306 5.039 4.570 0.058 -0.129 0.208 220 c C -1.263 172.856 174.090 0.047 0.000 1.422 220 c CA -1.333 55.026 56.329 0.050 0.000 1.437 220 c CB -1.675 40.856 42.510 0.034 0.000 1.850 220 c HN 0.294 8.553 8.230 0.049 0.000 0.481 221 Q N -1.358 118.473 119.800 0.052 0.000 2.939 221 Q HA 0.118 4.477 4.340 0.032 0.000 0.274 221 Q C -1.564 174.457 176.000 0.036 0.000 0.941 221 Q CA -0.539 55.287 55.803 0.038 0.000 0.824 221 Q CB 2.240 31.000 28.738 0.037 0.000 1.779 221 Q HN 0.131 8.437 8.270 0.060 0.000 0.470 222 K N 2.270 122.685 120.400 0.024 0.000 2.368 222 K HA -0.147 4.332 4.320 0.034 -0.139 0.282 222 K C 0.087 176.686 176.600 -0.002 0.000 1.035 222 K CA 0.967 57.266 56.287 0.020 0.000 0.973 222 K CB 0.214 32.723 32.500 0.014 0.000 0.957 222 K HN 0.267 8.529 8.250 0.020 0.000 0.474 223 N N 2.897 121.594 118.700 -0.006 0.000 2.753 223 N HA -0.349 4.371 4.740 -0.033 0.000 0.251 223 N C -1.395 174.050 175.510 -0.108 0.000 1.097 223 N CA 1.911 54.932 53.050 -0.047 0.000 0.786 223 N CB -0.639 37.813 38.487 -0.058 0.000 1.137 223 N HN 0.762 9.027 8.380 0.016 0.124 0.566 224 K N -1.026 119.340 120.400 -0.057 0.000 2.762 224 K HA 0.535 4.706 4.320 -0.249 0.000 0.180 224 K C -2.457 174.190 176.600 0.078 0.000 1.067 224 K CA -3.706 52.549 56.287 -0.054 0.000 0.973 224 K CB 0.512 33.019 32.500 0.012 0.000 1.290 224 K HN -0.768 7.419 8.250 -0.006 0.060 0.604 225 P HA -0.033 4.454 4.420 0.110 0.000 0.274 225 P C -0.789 176.556 177.300 0.076 0.000 1.256 225 P CA -0.506 62.661 63.100 0.111 0.000 0.795 225 P CB 1.201 32.960 31.700 0.098 0.000 1.038 226 G N -2.443 106.368 108.800 0.019 0.000 2.507 226 G HA2 0.278 4.046 3.960 -0.321 0.000 0.271 226 G HA3 0.278 4.134 3.960 -0.292 -0.072 0.271 226 G C -1.679 172.862 174.900 -0.598 0.000 1.189 226 G CA -0.717 44.206 45.100 -0.295 0.000 0.859 226 G HN -0.457 7.909 8.290 0.127 0.000 0.542 227 V N 1.239 120.482 119.914 -1.118 0.000 2.513 227 V HA 0.594 4.411 4.120 -0.772 -0.160 0.299 227 V C -0.959 174.328 176.094 -1.344 0.000 1.035 227 V CA -0.949 60.628 62.300 -1.205 0.000 0.889 227 V CB 2.101 32.754 31.823 -1.951 0.000 0.988 227 V HN 0.585 8.106 8.190 -1.114 0.000 0.440 228 Y N 5.203 125.077 120.300 -0.709 0.000 2.485 228 Y HA 0.600 5.066 4.550 -0.393 -0.151 0.345 228 Y C 0.348 175.951 175.900 -0.495 0.000 0.998 228 Y CA -2.299 55.402 58.100 -0.665 0.000 1.059 228 Y CB 3.499 41.297 38.460 -1.104 0.000 1.234 228 Y HN 1.016 8.877 8.280 -0.699 0.000 0.461 229 T N 4.913 119.420 114.554 -0.078 0.000 2.870 229 T HA 0.017 4.574 4.350 0.084 -0.156 0.300 229 T C -0.625 174.200 174.700 0.207 0.000 0.989 229 T CA 1.495 63.633 62.100 0.064 0.000 1.139 229 T CB 0.500 69.391 68.868 0.037 0.000 0.920 229 T HN 0.394 8.619 8.240 -0.025 0.000 0.537 230 K N 8.400 129.010 120.400 0.349 0.000 2.150 230 K HA 0.183 4.928 4.320 0.708 0.000 0.261 230 K C 0.887 177.747 176.600 0.434 0.000 1.127 230 K CA -0.988 55.592 56.287 0.487 0.000 0.989 230 K CB -0.302 32.443 32.500 0.408 0.000 1.475 230 K HN 0.074 8.412 8.250 0.319 0.103 0.391 231 V N 5.400 125.550 119.914 0.393 0.000 2.453 231 V HA -0.544 3.879 4.120 0.506 0.000 0.252 231 V C 1.432 177.697 176.094 0.284 0.000 1.068 231 V CA 3.729 66.248 62.300 0.365 0.000 1.070 231 V CB -0.316 31.644 31.823 0.228 0.000 0.664 231 V HN 0.158 8.587 8.190 0.398 0.000 0.461 232 c N -3.812 114.889 118.600 0.168 0.000 2.409 232 c HA -0.212 4.406 4.570 0.079 0.000 0.284 232 c C 1.642 175.755 174.090 0.038 0.000 1.354 232 c CA 1.537 57.914 56.329 0.080 0.000 1.787 232 c CB -2.097 40.430 42.510 0.028 0.000 1.900 232 c HN 0.466 8.773 8.230 0.167 0.023 0.520 233 N N 0.973 119.665 118.700 -0.013 0.000 2.463 233 N HA -0.077 4.568 4.740 -0.158 0.000 0.181 233 N C 0.441 175.718 175.510 -0.389 0.000 1.078 233 N CA 1.254 54.154 53.050 -0.250 0.000 0.902 233 N CB 0.005 38.208 38.487 -0.472 0.000 0.970 233 N HN -0.303 8.074 8.380 0.072 0.046 0.451 234 Y N -4.584 115.792 120.300 0.126 0.000 2.584 234 Y HA 0.160 4.862 4.550 0.253 0.000 0.254 234 Y C 0.191 176.233 175.900 0.237 0.000 1.177 234 Y CA -0.798 57.440 58.100 0.230 0.000 1.216 234 Y CB -0.286 38.346 38.460 0.286 0.000 1.172 234 Y HN -0.269 7.968 8.280 0.215 0.171 0.529 235 V N 1.354 121.407 119.914 0.233 0.000 2.287 235 V HA -0.551 3.655 4.120 0.144 0.000 0.248 235 V C 1.525 177.684 176.094 0.108 0.000 1.053 235 V CA 5.147 67.533 62.300 0.143 0.000 1.027 235 V CB -0.546 31.323 31.823 0.078 0.000 0.646 235 V HN -0.674 7.615 8.190 0.165 0.000 0.447 236 S N -0.497 115.271 115.700 0.114 0.000 2.368 236 S HA -0.332 4.157 4.470 0.032 0.000 0.224 236 S C 2.029 176.695 174.600 0.110 0.000 1.029 236 S CA 3.506 61.755 58.200 0.082 0.000 0.988 236 S CB -0.329 62.918 63.200 0.078 0.000 0.838 236 S HN 0.167 8.546 8.310 0.115 0.000 0.462 237 W N 3.504 124.841 121.300 0.061 0.000 2.355 237 W HA -0.244 4.434 4.660 0.030 0.000 0.309 237 W C 1.215 177.744 176.519 0.016 0.000 1.206 237 W CA 3.454 60.840 57.345 0.069 0.000 1.284 237 W CB -0.248 29.334 29.460 0.202 0.000 1.145 237 W HN -0.366 8.035 8.180 0.369 0.000 0.502 238 I N -0.641 119.879 120.570 -0.083 0.000 2.099 238 I HA -0.773 2.893 4.170 -0.840 0.000 0.239 238 I C 1.896 177.758 176.117 -0.426 0.000 1.066 238 I CA 4.625 65.686 61.300 -0.399 0.000 1.324 238 I CB -0.228 37.715 38.000 -0.095 0.000 1.037 238 I HN 0.447 8.818 8.210 0.268 0.000 0.401 239 K N -1.754 118.507 120.400 -0.231 0.000 2.074 239 K HA -0.506 3.665 4.320 -0.248 0.000 0.209 239 K C 2.549 178.996 176.600 -0.254 0.000 1.048 239 K CA 3.862 60.019 56.287 -0.218 0.000 0.926 239 K CB -0.435 31.999 32.500 -0.110 0.000 0.713 239 K HN 0.050 8.229 8.250 -0.119 0.000 0.444 240 Q N -1.344 118.318 119.800 -0.230 0.000 2.119 240 Q HA -0.287 3.961 4.340 -0.152 0.000 0.201 240 Q C 2.209 178.031 176.000 -0.296 0.000 0.972 240 Q CA 3.565 59.247 55.803 -0.201 0.000 0.847 240 Q CB -0.102 28.569 28.738 -0.112 0.000 0.903 240 Q HN -0.028 8.126 8.270 -0.194 0.000 0.433 241 T N 2.343 116.600 114.554 -0.494 0.000 2.777 241 T HA -0.292 3.838 4.350 -0.366 0.000 0.266 241 T C 2.493 176.839 174.700 -0.591 0.000 1.040 241 T CA 5.228 66.990 62.100 -0.564 0.000 1.141 241 T CB -0.227 68.060 68.868 -0.968 0.000 0.868 241 T HN -0.009 7.876 8.240 -0.592 0.000 0.444 242 I N -1.824 118.264 120.570 -0.804 0.000 2.394 242 I HA -0.226 3.025 4.170 -1.531 0.000 0.251 242 I C 1.337 177.202 176.117 -0.420 0.000 1.136 242 I CA 3.150 63.810 61.300 -1.066 0.000 1.425 242 I CB -0.654 36.514 38.000 -1.387 0.000 1.079 242 I HN 0.172 7.920 8.210 -0.769 0.000 0.425 243 A N -0.498 122.147 122.820 -0.291 0.000 2.119 243 A HA -0.134 4.141 4.320 -0.075 0.000 0.217 243 A C 0.644 178.191 177.584 -0.062 0.000 1.153 243 A CA 1.916 53.879 52.037 -0.123 0.000 0.692 243 A CB -0.240 18.695 19.000 -0.109 0.000 0.799 243 A HN -0.179 7.757 8.150 -0.339 0.010 0.458 244 S N -3.429 112.221 115.700 -0.083 0.000 2.568 244 S HA 0.155 4.621 4.470 -0.006 0.000 0.232 244 S C -0.960 173.659 174.600 0.031 0.000 0.975 244 S CA 0.389 58.574 58.200 -0.025 0.000 0.949 244 S CB 0.660 63.835 63.200 -0.042 0.000 0.829 244 S HN -0.512 7.552 8.310 -0.159 0.151 0.479 245 N N 0.000 118.757 118.700 0.095 0.000 1.763 245 N HA 0.000 4.830 4.740 0.151 0.000 0.220 245 N CA 0.000 53.187 53.050 0.228 0.000 0.885 245 N CB 0.000 38.683 38.487 0.327 0.000 1.341 245 N HN 0.000 8.260 8.380 0.073 0.164 0.667