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 2qjp_1_J DATA FIRST_RESID 3 DATA SEQUENCE GIPHDHYEPR TGIEKWLHSR LPIVALAYDT IMIPTPRNLN WMWIWGVVLA DATA SEQUENCE FCLVLQIVTG IVLAMHYTPH VDLAFASVEH IMRNVNGGFM LRYLHANGAS DATA SEQUENCE LFFIAVYLHI FRGLYYGSYK APREVTWIVG MLIYLAMMAT AFMGYVLPWG DATA SEQUENCE QMSFWGATVI TGLFGAIPGI GHSIQTWLLG GPAVDNATLN RFFSLHYLLP DATA SEQUENCE FVIAALVAIH IWAFHSTGNN NPTGVEVRRT SKAEAQKDTV PFWPYFIIKD DATA SEQUENCE VFALAVVLLV FFAIVGFMPN YLGHPDNYIE ANPLSTPAHI VPEWYFLPFY DATA SEQUENCE AILRAFTADV WVVQIANFIS FGIIDAKFFG VLAMFGAILV MALVPWLDTS DATA SEQUENCE PVRSGRYRPM FKIYFWLLAA DFVILTWVGA QQTTFPYDWI SLIASAYWFA DATA SEQUENCE YFLVILPILG AIEKPVAPPA TIEEDFNA 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 3 G C 0.000 174.921 174.900 0.034 0.000 0.946 3 G CA 0.000 45.136 45.100 0.061 0.000 0.502 4 I N 2.376 122.984 120.570 0.063 0.000 2.412 4 I HA 0.367 4.537 4.170 0.001 0.000 0.296 4 I C -2.317 173.775 176.117 -0.042 0.000 0.987 4 I CA -1.931 59.394 61.300 0.043 0.000 1.180 4 I CB 2.361 40.419 38.000 0.097 0.000 1.340 4 I HN 0.067 nan 8.210 nan 0.000 0.455 5 P HA 0.085 nan 4.420 nan 0.000 0.264 5 P C -1.334 175.929 177.300 -0.062 0.000 1.236 5 P CA 0.334 63.351 63.100 -0.137 0.000 0.811 5 P CB -0.149 31.516 31.700 -0.058 0.000 0.840 6 H N -0.108 118.988 119.070 0.044 0.000 2.908 6 H HA 0.661 5.218 4.556 0.001 0.000 0.350 6 H C -0.961 174.446 175.328 0.132 0.000 1.217 6 H CA -1.382 54.720 56.048 0.089 0.000 1.168 6 H CB 0.800 30.624 29.762 0.103 0.000 1.891 6 H HN 0.137 nan 8.280 nan 0.000 0.566 7 D N -0.106 120.576 120.400 0.470 0.000 2.349 7 D HA 0.161 4.802 4.640 0.001 0.000 0.232 7 D C -0.436 176.258 176.300 0.656 0.000 1.071 7 D CA -0.609 53.686 54.000 0.491 0.000 0.832 7 D CB 0.363 41.345 40.800 0.304 0.000 1.086 7 D HN 0.876 nan 8.370 nan 0.000 0.504 8 H N -0.244 119.094 119.070 0.445 0.000 2.505 8 H HA 0.285 4.841 4.556 0.001 0.000 0.355 8 H C 0.004 175.457 175.328 0.209 0.000 1.179 8 H CA -1.347 54.972 56.048 0.450 0.000 1.343 8 H CB 0.701 30.703 29.762 0.401 0.000 1.501 8 H HN 0.426 nan 8.280 nan 0.000 0.569 9 Y N 0.964 121.163 120.300 -0.168 0.000 2.960 9 Y HA -0.094 4.456 4.550 0.001 0.000 0.345 9 Y C -0.226 175.417 175.900 -0.428 0.000 1.277 9 Y CA 0.663 58.280 58.100 -0.805 0.000 1.508 9 Y CB 0.415 38.350 38.460 -0.875 0.000 1.317 9 Y HN 0.775 nan 8.280 nan 0.000 0.639 10 E N 6.249 125.791 120.200 -1.096 0.000 2.291 10 E HA 0.417 4.768 4.350 0.001 0.000 0.276 10 E C -2.976 172.928 176.600 -1.161 0.000 0.896 10 E CA -2.642 53.252 56.400 -0.844 0.000 0.774 10 E CB 1.603 31.015 29.700 -0.481 0.000 1.227 10 E HN 0.280 nan 8.360 nan 0.000 0.413 11 P HA 0.209 nan 4.420 nan 0.000 0.271 11 P C 0.015 177.123 177.300 -0.321 0.000 1.233 11 P CA -0.217 62.584 63.100 -0.498 0.000 0.764 11 P CB 0.874 32.428 31.700 -0.243 0.000 0.825 12 R N 1.084 121.433 120.500 -0.251 0.000 2.098 12 R HA 0.154 4.495 4.340 0.001 0.000 0.203 12 R C 0.808 177.067 176.300 -0.068 0.000 1.166 12 R CA 0.717 56.726 56.100 -0.152 0.000 1.090 12 R CB -1.196 29.016 30.300 -0.146 0.000 0.992 12 R HN 0.342 nan 8.270 nan 0.000 0.477 13 T N 0.176 114.709 114.554 -0.035 0.000 2.649 13 T HA 0.052 4.403 4.350 0.001 0.000 0.337 13 T C 1.531 176.246 174.700 0.024 0.000 1.070 13 T CA 0.746 62.850 62.100 0.005 0.000 1.052 13 T CB 0.377 69.264 68.868 0.033 0.000 0.994 13 T HN 0.412 nan 8.240 nan 0.000 0.544 14 G N -0.466 108.353 108.800 0.032 0.000 2.417 14 G HA2 -0.015 3.945 3.960 0.001 0.000 0.212 14 G HA3 -0.015 3.945 3.960 0.001 0.000 0.212 14 G C 1.530 176.486 174.900 0.093 0.000 1.187 14 G CA 0.162 45.289 45.100 0.046 0.000 0.804 14 G HN 0.693 nan 8.290 nan 0.000 0.534 15 I N 0.733 121.349 120.570 0.076 0.000 2.163 15 I HA -0.176 3.995 4.170 0.001 0.000 0.243 15 I C 2.683 178.939 176.117 0.231 0.000 1.085 15 I CA 1.291 62.665 61.300 0.123 0.000 1.347 15 I CB -0.388 37.654 38.000 0.069 0.000 1.044 15 I HN 0.221 nan 8.210 nan 0.000 0.408 16 E N 1.052 121.354 120.200 0.170 0.000 2.130 16 E HA -0.250 4.101 4.350 0.001 0.000 0.196 16 E C 2.167 178.897 176.600 0.216 0.000 0.998 16 E CA 1.270 57.789 56.400 0.198 0.000 0.806 16 E CB -0.023 29.767 29.700 0.150 0.000 0.738 16 E HN 0.461 nan 8.360 nan 0.000 0.459 17 K N -0.440 120.059 120.400 0.164 0.000 2.155 17 K HA -0.149 4.172 4.320 0.001 0.000 0.203 17 K C 1.791 178.514 176.600 0.205 0.000 1.052 17 K CA 0.911 57.283 56.287 0.141 0.000 0.948 17 K CB -0.157 32.394 32.500 0.084 0.000 0.728 17 K HN 0.235 nan 8.250 nan 0.000 0.448 18 W N 1.674 123.009 121.300 0.057 0.000 2.408 18 W HA -0.179 4.482 4.660 0.001 0.000 0.311 18 W C 1.857 178.409 176.519 0.055 0.000 1.190 18 W CA 0.798 58.171 57.345 0.046 0.000 1.321 18 W CB -0.445 29.032 29.460 0.028 0.000 1.143 18 W HN -0.057 nan 8.180 nan 0.000 0.501 19 L N 0.559 121.958 121.223 0.293 0.000 2.012 19 L HA -0.259 4.082 4.340 0.001 0.000 0.210 19 L C 2.825 179.661 176.870 -0.057 0.000 1.073 19 L CA 2.656 57.533 54.840 0.062 0.000 0.748 19 L CB -1.660 40.546 42.059 0.245 0.000 0.891 19 L HN 0.254 nan 8.230 nan 0.000 0.431 20 H N -0.678 118.388 119.070 -0.006 0.000 2.390 20 H HA -0.133 4.423 4.556 0.001 0.000 0.298 20 H C 2.082 177.368 175.328 -0.071 0.000 1.106 20 H CA 1.737 57.779 56.048 -0.011 0.000 1.297 20 H CB 0.081 29.906 29.762 0.105 0.000 1.375 20 H HN 0.598 nan 8.280 nan 0.000 0.509 21 S N -0.282 115.405 115.700 -0.021 0.000 2.555 21 S HA 0.025 4.496 4.470 0.001 0.000 0.230 21 S C 1.950 176.418 174.600 -0.220 0.000 0.978 21 S CA 0.306 58.452 58.200 -0.090 0.000 0.934 21 S CB 0.115 63.282 63.200 -0.055 0.000 0.766 21 S HN 0.417 nan 8.310 nan 0.000 0.533 22 R N -0.620 119.695 120.500 -0.309 0.000 2.140 22 R HA 0.472 4.813 4.340 0.001 0.000 0.200 22 R C -0.591 175.554 176.300 -0.258 0.000 1.069 22 R CA 0.152 56.055 56.100 -0.327 0.000 1.088 22 R CB 0.129 30.121 30.300 -0.513 0.000 1.012 22 R HN 0.340 nan 8.270 nan 0.000 0.500 23 L N 2.392 123.463 121.223 -0.254 0.000 2.573 23 L HA 0.349 4.690 4.340 0.001 0.000 0.260 23 L C -2.578 174.153 176.870 -0.231 0.000 0.997 23 L CA -1.941 52.776 54.840 -0.206 0.000 0.890 23 L CB 1.999 43.966 42.059 -0.153 0.000 1.179 23 L HN -0.113 nan 8.230 nan 0.000 0.439 24 P HA -0.002 nan 4.420 nan 0.000 0.286 24 P C 1.322 178.481 177.300 -0.235 0.000 1.577 24 P CA 0.355 63.231 63.100 -0.373 0.000 0.805 24 P CB -0.059 31.362 31.700 -0.465 0.000 1.706 25 I N -0.155 120.307 120.570 -0.180 0.000 2.361 25 I HA -0.211 3.959 4.170 0.001 0.000 0.251 25 I C 1.749 177.768 176.117 -0.162 0.000 1.133 25 I CA 1.139 62.350 61.300 -0.148 0.000 1.413 25 I CB 0.230 38.166 38.000 -0.106 0.000 1.073 25 I HN -0.136 nan 8.210 nan 0.000 0.424 26 V N 1.218 121.017 119.914 -0.192 0.000 2.427 26 V HA -0.197 3.924 4.120 0.001 0.000 0.248 26 V C 2.718 178.511 176.094 -0.503 0.000 1.051 26 V CA 1.611 63.750 62.300 -0.269 0.000 1.048 26 V CB -1.229 30.457 31.823 -0.228 0.000 0.666 26 V HN 0.550 nan 8.190 nan 0.000 0.456 27 A N -0.002 122.467 122.820 -0.585 0.000 1.930 27 A HA -0.146 4.174 4.320 0.001 0.000 0.217 27 A C 2.153 179.656 177.584 -0.135 0.000 1.175 27 A CA 1.857 53.586 52.037 -0.514 0.000 0.627 27 A CB -0.476 18.427 19.000 -0.160 0.000 0.815 27 A HN 0.443 nan 8.150 nan 0.000 0.443 28 L N -0.110 121.029 121.223 -0.140 0.000 1.994 28 L HA -0.066 4.275 4.340 0.001 0.000 0.208 28 L C 2.727 179.541 176.870 -0.092 0.000 1.071 28 L CA 2.281 57.056 54.840 -0.109 0.000 0.745 28 L CB -0.798 41.172 42.059 -0.149 0.000 0.892 28 L HN 0.332 nan 8.230 nan 0.000 0.431 29 A N -1.423 121.340 122.820 -0.095 0.000 1.948 29 A HA -0.322 3.999 4.320 0.001 0.000 0.220 29 A C 2.283 179.859 177.584 -0.013 0.000 1.177 29 A CA 2.078 54.075 52.037 -0.067 0.000 0.636 29 A CB -1.283 17.681 19.000 -0.061 0.000 0.815 29 A HN 0.674 nan 8.150 nan 0.000 0.449 30 Y N 1.291 121.522 120.300 -0.115 0.000 2.049 30 Y HA -0.250 4.301 4.550 0.001 0.000 0.277 30 Y C 1.868 177.772 175.900 0.007 0.000 1.143 30 Y CA 2.290 60.374 58.100 -0.027 0.000 1.115 30 Y CB -0.340 38.117 38.460 -0.004 0.000 0.975 30 Y HN 0.367 nan 8.280 nan 0.000 0.487 31 D N -0.944 119.484 120.400 0.046 0.000 2.311 31 D HA -0.142 4.499 4.640 0.001 0.000 0.212 31 D C 1.953 178.191 176.300 -0.104 0.000 0.972 31 D CA 1.656 55.611 54.000 -0.075 0.000 0.887 31 D CB -0.292 40.517 40.800 0.014 0.000 0.915 31 D HN 0.432 nan 8.370 nan 0.000 0.497 32 T N 0.245 114.726 114.554 -0.121 0.000 2.942 32 T HA 0.092 4.443 4.350 0.001 0.000 0.265 32 T C 1.829 176.535 174.700 0.010 0.000 1.062 32 T CA 0.413 62.413 62.100 -0.167 0.000 1.139 32 T CB 0.362 69.093 68.868 -0.227 0.000 0.883 32 T HN 0.196 nan 8.240 nan 0.000 0.468 33 I N -0.060 120.520 120.570 0.016 0.000 3.974 33 I HA 0.259 4.430 4.170 0.001 0.000 0.334 33 I C 0.666 176.915 176.117 0.219 0.000 1.437 33 I CA 0.083 61.500 61.300 0.195 0.000 1.113 33 I CB 0.357 38.479 38.000 0.204 0.000 1.063 33 I HN 0.102 nan 8.210 nan 0.000 0.400 34 M N 1.055 120.635 119.600 -0.033 0.000 2.596 34 M HA 0.360 4.840 4.480 0.001 0.000 0.364 34 M C 0.172 176.450 176.300 -0.037 0.000 1.158 34 M CA -0.164 55.060 55.300 -0.127 0.000 0.940 34 M CB 0.641 32.778 32.600 -0.771 0.000 1.388 34 M HN 0.107 nan 8.290 nan 0.000 0.522 35 I N 4.536 125.155 120.570 0.081 0.000 2.496 35 I HA 0.210 4.381 4.170 0.001 0.000 0.285 35 I C -1.863 174.365 176.117 0.185 0.000 1.080 35 I CA -1.455 59.906 61.300 0.102 0.000 1.404 35 I CB 1.295 39.367 38.000 0.119 0.000 1.403 35 I HN -0.029 nan 8.210 nan 0.000 0.539 36 P HA 0.092 nan 4.420 nan 0.000 0.271 36 P C -1.060 176.327 177.300 0.145 0.000 1.233 36 P CA 0.029 63.227 63.100 0.164 0.000 0.764 36 P CB 0.453 32.238 31.700 0.142 0.000 0.825 37 T N 5.943 120.616 114.554 0.199 0.000 2.823 37 T HA 0.399 4.750 4.350 0.001 0.000 0.279 37 T C -2.427 172.341 174.700 0.114 0.000 0.998 37 T CA -2.004 60.196 62.100 0.167 0.000 0.994 37 T CB 1.102 70.162 68.868 0.320 0.000 0.960 37 T HN 0.302 nan 8.240 nan 0.000 0.448 38 P HA 0.075 nan 4.420 nan 0.000 0.264 38 P C 0.388 177.639 177.300 -0.082 0.000 1.183 38 P CA -0.037 63.006 63.100 -0.095 0.000 0.763 38 P CB 0.929 32.533 31.700 -0.160 0.000 0.807 39 R N 2.690 123.046 120.500 -0.240 0.000 2.152 39 R HA -0.127 4.214 4.340 0.001 0.000 0.232 39 R C 1.614 177.740 176.300 -0.289 0.000 1.117 39 R CA 1.556 57.379 56.100 -0.463 0.000 0.981 39 R CB -0.537 29.098 30.300 -1.107 0.000 0.870 39 R HN 0.585 nan 8.270 nan 0.000 0.451 40 N N 1.213 119.809 118.700 -0.175 0.000 2.383 40 N HA -0.030 4.711 4.740 0.001 0.000 0.192 40 N C 0.100 175.450 175.510 -0.267 0.000 1.141 40 N CA 0.165 53.168 53.050 -0.078 0.000 0.851 40 N CB -0.108 38.367 38.487 -0.021 0.000 0.976 40 N HN 0.141 nan 8.380 nan 0.000 0.465 41 L N 1.715 122.697 121.223 -0.401 0.000 2.543 41 L HA -0.049 4.292 4.340 0.001 0.000 0.285 41 L C 0.599 177.181 176.870 -0.479 0.000 1.236 41 L CA -0.057 54.316 54.840 -0.780 0.000 0.871 41 L CB -0.171 41.360 42.059 -0.879 0.000 1.121 41 L HN 0.309 nan 8.230 nan 0.000 0.501 42 N N 0.596 119.024 118.700 -0.453 0.000 2.671 42 N HA 0.185 4.926 4.740 0.001 0.000 0.303 42 N C -0.007 175.427 175.510 -0.127 0.000 1.277 42 N CA -0.825 52.088 53.050 -0.229 0.000 0.933 42 N CB 0.169 38.661 38.487 0.008 0.000 1.190 42 N HN 0.452 nan 8.380 nan 0.000 0.600 43 W N -0.982 120.425 121.300 0.177 0.000 2.662 43 W HA 0.059 4.720 4.660 0.001 0.000 0.249 43 W C 1.211 177.853 176.519 0.205 0.000 1.251 43 W CA 0.029 57.455 57.345 0.134 0.000 1.277 43 W CB -0.164 29.356 29.460 0.099 0.000 1.140 43 W HN 0.345 nan 8.180 nan 0.000 0.645 44 M N -1.825 118.089 119.600 0.523 0.000 2.541 44 M HA -0.009 4.471 4.480 0.001 0.000 0.252 44 M C 1.068 177.626 176.300 0.430 0.000 1.125 44 M CA 0.571 56.229 55.300 0.597 0.000 1.091 44 M CB -0.786 32.150 32.600 0.559 0.000 1.420 44 M HN 0.277 nan 8.290 nan 0.000 0.486 45 W N 0.904 122.216 121.300 0.019 0.000 3.353 45 W HA 0.071 4.731 4.660 0.001 0.000 0.304 45 W C 0.962 177.420 176.519 -0.101 0.000 1.273 45 W CA 0.149 57.460 57.345 -0.057 0.000 1.773 45 W CB 0.126 29.458 29.460 -0.213 0.000 1.095 45 W HN 0.182 nan 8.180 nan 0.000 0.676 46 I N -4.924 115.620 120.570 -0.044 0.000 3.928 46 I HA 0.145 4.315 4.170 0.001 0.000 0.335 46 I C 1.093 176.988 176.117 -0.370 0.000 1.325 46 I CA -0.058 61.124 61.300 -0.196 0.000 1.107 46 I CB -1.034 36.851 38.000 -0.192 0.000 1.014 46 I HN -0.197 nan 8.210 nan 0.000 0.400 47 W N 1.396 122.758 121.300 0.103 0.000 2.770 47 W HA 0.348 5.009 4.660 0.001 0.000 0.256 47 W C 2.398 178.831 176.519 -0.144 0.000 1.291 47 W CA 0.527 57.893 57.345 0.035 0.000 1.396 47 W CB -0.308 29.218 29.460 0.109 0.000 1.114 47 W HN 0.244 nan 8.180 nan 0.000 0.637 48 G N 0.210 108.975 108.800 -0.059 0.000 2.433 48 G HA2 -0.276 3.685 3.960 0.001 0.000 0.216 48 G HA3 -0.276 3.685 3.960 0.001 0.000 0.216 48 G C 1.499 176.402 174.900 0.004 0.000 1.186 48 G CA 1.337 46.334 45.100 -0.170 0.000 0.779 48 G HN 0.157 nan 8.290 nan 0.000 0.543 49 V N 0.403 120.349 119.914 0.054 0.000 2.809 49 V HA -0.053 4.068 4.120 0.001 0.000 0.256 49 V C 2.858 179.014 176.094 0.105 0.000 1.080 49 V CA 1.176 63.538 62.300 0.104 0.000 1.102 49 V CB 0.081 31.983 31.823 0.132 0.000 0.705 49 V HN 0.190 nan 8.190 nan 0.000 0.475 50 V N -0.280 119.684 119.914 0.082 0.000 2.667 50 V HA -0.151 3.970 4.120 0.001 0.000 0.252 50 V C 2.196 178.370 176.094 0.134 0.000 1.065 50 V CA 1.709 64.087 62.300 0.128 0.000 1.083 50 V CB -0.286 31.654 31.823 0.195 0.000 0.692 50 V HN 0.464 nan 8.190 nan 0.000 0.468 51 L N -0.087 121.196 121.223 0.099 0.000 2.072 51 L HA -0.042 4.299 4.340 0.001 0.000 0.205 51 L C 2.754 179.592 176.870 -0.054 0.000 1.079 51 L CA 1.295 56.169 54.840 0.058 0.000 0.752 51 L CB -0.764 41.371 42.059 0.128 0.000 0.906 51 L HN 0.330 nan 8.230 nan 0.000 0.436 52 A N 0.380 123.222 122.820 0.036 0.000 1.859 52 A HA -0.313 4.008 4.320 0.001 0.000 0.217 52 A C 2.194 179.750 177.584 -0.046 0.000 1.198 52 A CA 1.995 54.051 52.037 0.031 0.000 0.629 52 A CB -1.043 18.020 19.000 0.105 0.000 0.830 52 A HN 0.402 nan 8.150 nan 0.000 0.446 53 F N 0.592 120.483 119.950 -0.098 0.000 2.065 53 F HA -0.285 4.243 4.527 0.001 0.000 0.298 53 F C 2.518 178.170 175.800 -0.247 0.000 1.112 53 F CA 1.709 59.639 58.000 -0.117 0.000 1.212 53 F CB -0.931 38.021 39.000 -0.079 0.000 0.975 53 F HN 0.315 nan 8.300 nan 0.000 0.476 54 C N 0.249 119.249 119.300 -0.500 0.000 2.398 54 C HA -0.192 4.268 4.460 0.001 0.000 0.276 54 C C 2.718 177.085 174.990 -1.038 0.000 1.222 54 C CA 1.198 59.687 59.018 -0.881 0.000 1.746 54 C CB -1.576 25.511 27.740 -1.089 0.000 2.039 54 C HN 0.682 nan 8.230 nan 0.000 0.470 55 L N 0.677 121.353 121.223 -0.912 0.000 2.017 55 L HA -0.086 4.255 4.340 0.001 0.000 0.208 55 L C 2.492 179.133 176.870 -0.381 0.000 1.073 55 L CA 1.921 56.431 54.840 -0.550 0.000 0.745 55 L CB -0.862 41.078 42.059 -0.197 0.000 0.894 55 L HN 0.204 nan 8.230 nan 0.000 0.432 56 V N -0.399 119.305 119.914 -0.351 0.000 2.295 56 V HA -0.281 3.839 4.120 0.001 0.000 0.246 56 V C 2.539 178.429 176.094 -0.340 0.000 1.049 56 V CA 1.811 63.948 62.300 -0.272 0.000 1.024 56 V CB -0.726 30.974 31.823 -0.205 0.000 0.648 56 V HN 0.565 nan 8.190 nan 0.000 0.447 57 L N 0.024 120.900 121.223 -0.579 0.000 2.012 57 L HA -0.211 4.130 4.340 0.001 0.000 0.210 57 L C 2.521 179.237 176.870 -0.257 0.000 1.073 57 L CA 2.011 56.551 54.840 -0.500 0.000 0.748 57 L CB -0.793 40.796 42.059 -0.784 0.000 0.891 57 L HN 0.270 nan 8.230 nan 0.000 0.431 58 Q N -0.153 119.470 119.800 -0.295 0.000 2.050 58 Q HA -0.174 4.166 4.340 0.001 0.000 0.202 58 Q C 2.415 178.396 176.000 -0.032 0.000 0.980 58 Q CA 2.273 58.009 55.803 -0.111 0.000 0.840 58 Q CB -0.438 28.169 28.738 -0.219 0.000 0.898 58 Q HN 0.637 nan 8.270 nan 0.000 0.424 59 I N 0.554 121.026 120.570 -0.163 0.000 2.127 59 I HA -0.260 3.911 4.170 0.001 0.000 0.241 59 I C 2.486 178.521 176.117 -0.137 0.000 1.075 59 I CA 1.510 62.694 61.300 -0.194 0.000 1.334 59 I CB -0.578 37.301 38.000 -0.202 0.000 1.040 59 I HN 0.108 nan 8.210 nan 0.000 0.405 60 V N -0.530 119.326 119.914 -0.095 0.000 2.358 60 V HA -0.224 3.896 4.120 0.001 0.000 0.246 60 V C 2.438 178.496 176.094 -0.060 0.000 1.047 60 V CA 2.311 64.578 62.300 -0.055 0.000 1.035 60 V CB -1.571 30.233 31.823 -0.031 0.000 0.658 60 V HN 0.594 nan 8.190 nan 0.000 0.452 61 T N -1.589 112.936 114.554 -0.049 0.000 2.915 61 T HA 0.087 4.438 4.350 0.001 0.000 0.269 61 T C 1.988 176.553 174.700 -0.225 0.000 1.071 61 T CA 1.254 63.322 62.100 -0.053 0.000 1.132 61 T CB -0.860 68.048 68.868 0.067 0.000 0.878 61 T HN 0.694 nan 8.240 nan 0.000 0.479 62 G N 1.916 110.545 108.800 -0.285 0.000 2.404 62 G HA2 -0.015 3.946 3.960 0.001 0.000 0.214 62 G HA3 -0.015 3.946 3.960 0.001 0.000 0.214 62 G C 1.506 176.194 174.900 -0.354 0.000 1.189 62 G CA 0.617 45.422 45.100 -0.491 0.000 0.789 62 G HN 0.534 nan 8.290 nan 0.000 0.533 63 I N 0.479 120.884 120.570 -0.274 0.000 2.151 63 I HA -0.212 3.959 4.170 0.001 0.000 0.243 63 I C 2.799 178.880 176.117 -0.059 0.000 1.080 63 I CA 0.715 61.917 61.300 -0.162 0.000 1.339 63 I CB -0.486 37.502 38.000 -0.020 0.000 1.039 63 I HN 0.025 nan 8.210 nan 0.000 0.409 64 V N 1.066 120.952 119.914 -0.046 0.000 2.255 64 V HA -0.292 3.828 4.120 0.001 0.000 0.247 64 V C 2.445 178.575 176.094 0.060 0.000 1.051 64 V CA 1.915 64.226 62.300 0.019 0.000 1.018 64 V CB -0.491 31.346 31.823 0.023 0.000 0.641 64 V HN 0.354 nan 8.190 nan 0.000 0.445 65 L N 0.050 121.262 121.223 -0.019 0.000 2.079 65 L HA -0.173 4.167 4.340 0.001 0.000 0.210 65 L C 2.576 179.499 176.870 0.087 0.000 1.081 65 L CA 1.586 56.438 54.840 0.019 0.000 0.752 65 L CB -0.686 41.277 42.059 -0.161 0.000 0.896 65 L HN 0.370 nan 8.230 nan 0.000 0.433 66 A N -0.891 121.956 122.820 0.046 0.000 2.178 66 A HA -0.187 4.134 4.320 0.001 0.000 0.218 66 A C 2.230 179.909 177.584 0.159 0.000 1.157 66 A CA 1.310 53.471 52.037 0.206 0.000 0.689 66 A CB -0.493 18.660 19.000 0.255 0.000 0.787 66 A HN 0.406 nan 8.150 nan 0.000 0.465 67 M N -1.425 118.188 119.600 0.022 0.000 2.492 67 M HA -0.026 4.455 4.480 0.001 0.000 0.262 67 M C 1.158 177.219 176.300 -0.399 0.000 1.090 67 M CA 0.936 56.119 55.300 -0.194 0.000 1.110 67 M CB -0.023 32.378 32.600 -0.332 0.000 1.407 67 M HN 0.504 nan 8.290 nan 0.000 0.470 68 H N -3.081 116.054 119.070 0.108 0.000 3.170 68 H HA 0.149 4.705 4.556 0.001 0.000 0.264 68 H C -0.522 174.881 175.328 0.124 0.000 1.113 68 H CA -0.145 55.980 56.048 0.127 0.000 1.194 68 H CB 0.351 30.207 29.762 0.155 0.000 1.553 68 H HN 0.213 nan 8.280 nan 0.000 0.538 69 Y N 2.629 122.961 120.300 0.053 0.000 2.316 69 Y HA 0.248 4.798 4.550 0.001 0.000 0.331 69 Y C -0.220 175.581 175.900 -0.166 0.000 1.083 69 Y CA -0.272 57.804 58.100 -0.040 0.000 1.206 69 Y CB 1.024 39.453 38.460 -0.052 0.000 1.195 69 Y HN -0.203 nan 8.280 nan 0.000 0.497 70 T N 9.316 123.321 114.554 -0.916 0.000 2.801 70 T HA 0.246 4.597 4.350 0.001 0.000 0.306 70 T C -2.716 171.305 174.700 -1.132 0.000 1.020 70 T CA -1.464 60.164 62.100 -0.786 0.000 0.948 70 T CB 0.891 69.492 68.868 -0.445 0.000 0.962 70 T HN 0.462 nan 8.240 nan 0.000 0.465 71 P HA 0.126 nan 4.420 nan 0.000 0.237 71 P C -0.742 176.373 177.300 -0.307 0.000 1.788 71 P CA -0.019 62.744 63.100 -0.562 0.000 1.061 71 P CB -0.133 31.323 31.700 -0.407 0.000 1.967 72 H N 2.618 121.417 119.070 -0.452 0.000 3.083 72 H HA 0.059 4.616 4.556 0.001 0.000 0.339 72 H C 1.101 176.164 175.328 -0.441 0.000 1.020 72 H CA -0.387 55.429 56.048 -0.386 0.000 1.360 72 H CB 2.427 32.017 29.762 -0.288 0.000 1.811 72 H HN -0.047 nan 8.280 nan 0.000 0.493 73 V N 1.854 121.315 119.914 -0.755 0.000 2.511 73 V HA -0.259 3.861 4.120 0.001 0.000 0.257 73 V C 1.054 177.048 176.094 -0.166 0.000 1.088 73 V CA 2.549 64.415 62.300 -0.723 0.000 1.098 73 V CB -0.244 31.205 31.823 -0.623 0.000 0.674 73 V HN 0.548 nan 8.190 nan 0.000 0.470 74 D N -0.136 120.341 120.400 0.128 0.000 2.323 74 D HA 0.185 4.826 4.640 0.001 0.000 0.209 74 D C 1.694 178.028 176.300 0.056 0.000 0.973 74 D CA 1.230 55.310 54.000 0.134 0.000 0.874 74 D CB 0.141 41.036 40.800 0.158 0.000 0.930 74 D HN 0.558 nan 8.370 nan 0.000 0.521 75 L N -1.069 120.165 121.223 0.018 0.000 2.948 75 L HA 0.390 4.731 4.340 0.001 0.000 0.259 75 L C 2.062 178.885 176.870 -0.078 0.000 1.136 75 L CA 0.092 54.898 54.840 -0.057 0.000 0.959 75 L CB 0.061 42.027 42.059 -0.155 0.000 1.370 75 L HN -0.123 nan 8.230 nan 0.000 0.552 76 A N 0.919 123.666 122.820 -0.122 0.000 1.873 76 A HA -0.283 4.037 4.320 0.001 0.000 0.218 76 A C 2.101 179.783 177.584 0.162 0.000 1.193 76 A CA 2.013 53.976 52.037 -0.124 0.000 0.629 76 A CB -0.786 18.169 19.000 -0.075 0.000 0.826 76 A HN 0.385 nan 8.150 nan 0.000 0.447 77 F N 0.556 120.583 119.950 0.128 0.000 2.113 77 F HA 0.010 4.538 4.527 0.001 0.000 0.297 77 F C 2.588 178.464 175.800 0.126 0.000 1.103 77 F CA 1.243 59.345 58.000 0.171 0.000 1.248 77 F CB -0.370 38.743 39.000 0.189 0.000 0.999 77 F HN 0.254 nan 8.300 nan 0.000 0.475 78 A N -0.349 122.651 122.820 0.299 0.000 1.908 78 A HA -0.242 4.079 4.320 0.001 0.000 0.218 78 A C 2.349 179.985 177.584 0.087 0.000 1.181 78 A CA 2.138 54.282 52.037 0.179 0.000 0.627 78 A CB -1.497 17.578 19.000 0.125 0.000 0.818 78 A HN 0.514 nan 8.150 nan 0.000 0.445 79 S N -0.477 115.248 115.700 0.042 0.000 2.419 79 S HA -0.104 4.367 4.470 0.001 0.000 0.233 79 S C 1.675 176.358 174.600 0.137 0.000 1.016 79 S CA 1.619 59.841 58.200 0.036 0.000 0.974 79 S CB -0.579 62.552 63.200 -0.115 0.000 0.786 79 S HN 0.284 nan 8.310 nan 0.000 0.492 80 V N 1.394 121.361 119.914 0.088 0.000 2.788 80 V HA 0.054 4.175 4.120 0.001 0.000 0.251 80 V C 2.840 178.919 176.094 -0.025 0.000 1.068 80 V CA 1.300 63.630 62.300 0.049 0.000 1.090 80 V CB -0.545 31.267 31.823 -0.018 0.000 0.710 80 V HN 0.402 nan 8.190 nan 0.000 0.467 81 E N 0.127 120.296 120.200 -0.052 0.000 2.107 81 E HA -0.205 4.146 4.350 0.001 0.000 0.191 81 E C 2.111 178.731 176.600 0.034 0.000 0.982 81 E CA 1.418 57.801 56.400 -0.027 0.000 0.809 81 E CB -0.320 29.380 29.700 -0.000 0.000 0.756 81 E HN 0.811 nan 8.360 nan 0.000 0.459 82 H N 1.056 120.118 119.070 -0.013 0.000 2.353 82 H HA -0.088 4.469 4.556 0.001 0.000 0.298 82 H C 2.047 177.362 175.328 -0.022 0.000 1.103 82 H CA 2.001 58.045 56.048 -0.005 0.000 1.293 82 H CB -0.301 29.464 29.762 0.006 0.000 1.372 82 H HN 0.083 nan 8.280 nan 0.000 0.501 83 I N -0.208 120.315 120.570 -0.079 0.000 2.361 83 I HA -0.242 3.929 4.170 0.001 0.000 0.251 83 I C 1.912 177.939 176.117 -0.151 0.000 1.133 83 I CA 0.933 62.132 61.300 -0.169 0.000 1.413 83 I CB -0.240 37.736 38.000 -0.039 0.000 1.073 83 I HN 0.388 nan 8.210 nan 0.000 0.424 84 M N 0.063 119.611 119.600 -0.086 0.000 2.236 84 M HA -0.085 4.396 4.480 0.001 0.000 0.266 84 M C 2.208 178.507 176.300 -0.001 0.000 1.070 84 M CA 1.663 56.941 55.300 -0.037 0.000 1.137 84 M CB -0.867 31.701 32.600 -0.052 0.000 1.378 84 M HN 0.208 nan 8.290 nan 0.000 0.426 85 R N -0.675 119.794 120.500 -0.051 0.000 2.237 85 R HA 0.095 4.435 4.340 0.001 0.000 0.195 85 R C 1.460 177.713 176.300 -0.079 0.000 0.956 85 R CA 0.481 56.553 56.100 -0.046 0.000 1.029 85 R CB 0.203 30.489 30.300 -0.024 0.000 0.972 85 R HN 0.378 nan 8.270 nan 0.000 0.493 86 N N -0.087 118.498 118.700 -0.191 0.000 2.606 86 N HA 0.046 4.786 4.740 0.001 0.000 0.208 86 N C 0.191 175.554 175.510 -0.244 0.000 1.046 86 N CA 0.194 53.109 53.050 -0.225 0.000 0.891 86 N CB 0.297 38.593 38.487 -0.319 0.000 1.344 86 N HN -0.164 nan 8.380 nan 0.000 0.437 87 V N 4.290 123.968 119.914 -0.393 0.000 2.557 87 V HA -0.038 4.082 4.120 0.001 0.000 0.301 87 V C 0.185 176.165 176.094 -0.190 0.000 1.026 87 V CA -0.356 61.722 62.300 -0.370 0.000 1.137 87 V CB -0.267 31.180 31.823 -0.627 0.000 0.917 87 V HN 0.237 nan 8.190 nan 0.000 0.484 88 N N 4.621 123.248 118.700 -0.122 0.000 2.374 88 N HA 0.047 4.788 4.740 0.001 0.000 0.269 88 N C 1.292 176.758 175.510 -0.073 0.000 1.310 88 N CA 1.148 54.172 53.050 -0.042 0.000 0.877 88 N CB 0.598 39.075 38.487 -0.018 0.000 1.096 88 N HN 1.139 nan 8.380 nan 0.000 0.484 89 G N 1.500 110.277 108.800 -0.037 0.000 2.168 89 G HA2 -0.299 3.661 3.960 0.001 0.000 0.257 89 G HA3 -0.299 3.661 3.960 0.001 0.000 0.257 89 G C 1.198 175.840 174.900 -0.430 0.000 0.997 89 G CA 0.674 45.605 45.100 -0.283 0.000 0.708 89 G HN 0.737 nan 8.290 nan 0.000 0.520 90 G N 0.938 109.585 108.800 -0.255 0.000 2.433 90 G HA2 0.077 4.038 3.960 0.001 0.000 0.216 90 G HA3 0.077 4.038 3.960 0.001 0.000 0.216 90 G C 1.566 176.297 174.900 -0.282 0.000 1.186 90 G CA 1.417 46.370 45.100 -0.244 0.000 0.779 90 G HN 1.161 nan 8.290 nan 0.000 0.543 91 F N 0.677 120.539 119.950 -0.147 0.000 2.115 91 F HA -0.144 4.384 4.527 0.001 0.000 0.300 91 F C 2.371 178.077 175.800 -0.155 0.000 1.092 91 F CA 1.915 59.789 58.000 -0.210 0.000 1.245 91 F CB -0.627 38.295 39.000 -0.130 0.000 0.995 91 F HN 0.182 nan 8.300 nan 0.000 0.481 92 M N 0.565 119.401 119.600 -1.274 0.000 2.200 92 M HA 0.053 4.533 4.480 0.001 0.000 0.265 92 M C 1.918 178.065 176.300 -0.255 0.000 1.066 92 M CA 1.498 56.406 55.300 -0.655 0.000 1.127 92 M CB -0.406 31.718 32.600 -0.794 0.000 1.379 92 M HN 0.307 nan 8.290 nan 0.000 0.420 93 L N -0.839 120.221 121.223 -0.272 0.000 2.093 93 L HA -0.168 4.173 4.340 0.001 0.000 0.208 93 L C 2.749 179.599 176.870 -0.033 0.000 1.085 93 L CA 0.903 55.678 54.840 -0.109 0.000 0.755 93 L CB -0.758 41.233 42.059 -0.113 0.000 0.904 93 L HN 0.312 nan 8.230 nan 0.000 0.435 94 R N 0.122 120.571 120.500 -0.084 0.000 2.082 94 R HA -0.215 4.126 4.340 0.001 0.000 0.228 94 R C 2.353 178.715 176.300 0.103 0.000 1.140 94 R CA 1.967 58.049 56.100 -0.031 0.000 0.920 94 R CB -0.887 29.319 30.300 -0.157 0.000 0.828 94 R HN 0.183 nan 8.270 nan 0.000 0.430 95 Y N 1.185 121.531 120.300 0.078 0.000 2.283 95 Y HA -0.202 4.348 4.550 0.001 0.000 0.285 95 Y C 2.377 178.318 175.900 0.068 0.000 1.176 95 Y CA 0.998 59.150 58.100 0.087 0.000 1.229 95 Y CB -0.606 37.897 38.460 0.072 0.000 0.975 95 Y HN 0.110 nan 8.280 nan 0.000 0.537 96 L N -1.923 119.420 121.223 0.200 0.000 2.179 96 L HA -0.177 4.164 4.340 0.001 0.000 0.208 96 L C 2.355 179.383 176.870 0.264 0.000 1.096 96 L CA 1.094 56.039 54.840 0.175 0.000 0.779 96 L CB -0.328 41.797 42.059 0.110 0.000 0.922 96 L HN 0.181 nan 8.230 nan 0.000 0.443 97 H N -0.366 118.776 119.070 0.120 0.000 2.363 97 H HA -0.040 4.516 4.556 0.001 0.000 0.301 97 H C 2.047 177.469 175.328 0.157 0.000 1.074 97 H CA 1.280 57.386 56.048 0.096 0.000 1.354 97 H CB 0.096 29.890 29.762 0.054 0.000 1.397 97 H HN 0.288 nan 8.280 nan 0.000 0.516 98 A N 0.878 123.848 122.820 0.250 0.000 1.827 98 A HA -0.234 4.087 4.320 0.001 0.000 0.215 98 A C 2.229 179.971 177.584 0.263 0.000 1.212 98 A CA 1.788 53.971 52.037 0.244 0.000 0.624 98 A CB -0.873 18.310 19.000 0.306 0.000 0.853 98 A HN 0.619 nan 8.150 nan 0.000 0.450 99 N N 0.024 118.912 118.700 0.314 0.000 2.417 99 N HA -0.144 4.597 4.740 0.001 0.000 0.187 99 N C 1.673 177.457 175.510 0.456 0.000 1.027 99 N CA 1.178 54.463 53.050 0.391 0.000 0.891 99 N CB -0.366 38.321 38.487 0.334 0.000 0.956 99 N HN 0.573 nan 8.380 nan 0.000 0.442 100 G N 0.860 109.858 108.800 0.329 0.000 2.408 100 G HA2 -0.128 3.833 3.960 0.001 0.000 0.217 100 G HA3 -0.128 3.833 3.960 0.001 0.000 0.217 100 G C 1.712 176.618 174.900 0.010 0.000 1.150 100 G CA 0.869 46.016 45.100 0.078 0.000 0.776 100 G HN 0.386 nan 8.290 nan 0.000 0.542 101 A N 1.060 123.922 122.820 0.070 0.000 1.858 101 A HA -0.015 4.306 4.320 0.001 0.000 0.216 101 A C 2.705 180.409 177.584 0.199 0.000 1.190 101 A CA 2.287 54.369 52.037 0.076 0.000 0.617 101 A CB -0.770 18.282 19.000 0.087 0.000 0.827 101 A HN 0.301 nan 8.150 nan 0.000 0.443 102 S N -0.460 115.496 115.700 0.426 0.000 2.383 102 S HA -0.169 4.302 4.470 0.001 0.000 0.229 102 S C 1.840 176.804 174.600 0.606 0.000 1.030 102 S CA 1.534 60.187 58.200 0.756 0.000 1.002 102 S CB -0.443 63.265 63.200 0.847 0.000 0.829 102 S HN 0.514 nan 8.310 nan 0.000 0.467 103 L N 0.693 122.112 121.223 0.326 0.000 2.093 103 L HA 0.074 4.415 4.340 0.001 0.000 0.208 103 L C 1.863 178.835 176.870 0.169 0.000 1.085 103 L CA 1.552 56.495 54.840 0.171 0.000 0.755 103 L CB -0.787 41.164 42.059 -0.181 0.000 0.904 103 L HN 0.174 nan 8.230 nan 0.000 0.435 104 F N -0.384 119.494 119.950 -0.120 0.000 2.134 104 F HA -0.205 4.323 4.527 0.001 0.000 0.299 104 F C 2.121 177.672 175.800 -0.414 0.000 1.097 104 F CA 1.437 59.245 58.000 -0.321 0.000 1.264 104 F CB -0.780 37.898 39.000 -0.537 0.000 1.001 104 F HN 0.118 nan 8.300 nan 0.000 0.479 105 F N -0.112 119.824 119.950 -0.022 0.000 2.187 105 F HA -0.070 4.458 4.527 0.001 0.000 0.295 105 F C 2.449 178.250 175.800 0.001 0.000 1.091 105 F CA 0.963 58.804 58.000 -0.265 0.000 1.308 105 F CB -0.945 37.734 39.000 -0.535 0.000 1.030 105 F HN -0.170 nan 8.300 nan 0.000 0.487 106 I N -0.045 120.873 120.570 0.580 0.000 2.248 106 I HA -0.367 3.804 4.170 0.001 0.000 0.248 106 I C 2.549 178.766 176.117 0.166 0.000 1.107 106 I CA 1.312 62.911 61.300 0.500 0.000 1.373 106 I CB -0.725 37.478 38.000 0.338 0.000 1.055 106 I HN 0.125 nan 8.210 nan 0.000 0.418 107 A N 0.530 123.426 122.820 0.127 0.000 1.897 107 A HA -0.111 4.209 4.320 0.001 0.000 0.215 107 A C 2.380 180.007 177.584 0.072 0.000 1.181 107 A CA 1.722 53.809 52.037 0.083 0.000 0.620 107 A CB -0.838 18.337 19.000 0.291 0.000 0.821 107 A HN 0.302 nan 8.150 nan 0.000 0.443 108 V N -2.741 117.175 119.914 0.004 0.000 2.358 108 V HA -0.250 3.871 4.120 0.001 0.000 0.246 108 V C 2.343 178.484 176.094 0.080 0.000 1.047 108 V CA 1.650 63.952 62.300 0.002 0.000 1.035 108 V CB -1.682 30.023 31.823 -0.197 0.000 0.658 108 V HN 0.494 nan 8.190 nan 0.000 0.452 109 Y N 0.921 121.317 120.300 0.160 0.000 2.128 109 Y HA -0.116 4.435 4.550 0.001 0.000 0.284 109 Y C 2.424 178.420 175.900 0.160 0.000 1.154 109 Y CA 1.147 59.339 58.100 0.154 0.000 1.149 109 Y CB -1.105 37.513 38.460 0.263 0.000 0.976 109 Y HN 0.170 nan 8.280 nan 0.000 0.505 110 L N -1.389 119.910 121.223 0.127 0.000 2.056 110 L HA -0.235 4.106 4.340 0.001 0.000 0.207 110 L C 2.473 179.363 176.870 0.033 0.000 1.078 110 L CA 1.666 56.435 54.840 -0.118 0.000 0.749 110 L CB -0.640 40.897 42.059 -0.870 0.000 0.901 110 L HN 0.236 nan 8.230 nan 0.000 0.433 111 H N 0.403 119.464 119.070 -0.016 0.000 2.321 111 H HA -0.150 4.406 4.556 0.001 0.000 0.300 111 H C 2.114 177.520 175.328 0.129 0.000 1.087 111 H CA 1.871 57.993 56.048 0.123 0.000 1.319 111 H CB -0.076 29.774 29.762 0.147 0.000 1.379 111 H HN 0.179 nan 8.280 nan 0.000 0.501 112 I N -0.832 119.790 120.570 0.086 0.000 2.113 112 I HA -0.271 3.900 4.170 0.001 0.000 0.238 112 I C 1.879 178.063 176.117 0.112 0.000 1.070 112 I CA 1.326 62.637 61.300 0.019 0.000 1.332 112 I CB -0.424 37.529 38.000 -0.078 0.000 1.044 112 I HN 0.152 nan 8.210 nan 0.000 0.402 113 F N 0.769 120.808 119.950 0.149 0.000 2.307 113 F HA -0.197 4.331 4.527 0.001 0.000 0.301 113 F C 2.597 178.580 175.800 0.306 0.000 1.076 113 F CA 1.188 59.322 58.000 0.223 0.000 1.383 113 F CB -0.419 38.643 39.000 0.105 0.000 1.055 113 F HN 0.007 nan 8.300 nan 0.000 0.526 114 R N 0.998 121.711 120.500 0.354 0.000 2.066 114 R HA -0.087 4.253 4.340 0.001 0.000 0.232 114 R C 2.393 178.854 176.300 0.267 0.000 1.131 114 R CA 1.612 57.893 56.100 0.301 0.000 0.955 114 R CB -1.348 29.038 30.300 0.143 0.000 0.851 114 R HN 0.352 nan 8.270 nan 0.000 0.432 115 G N 1.586 110.494 108.800 0.180 0.000 2.446 115 G HA2 -0.215 3.746 3.960 0.001 0.000 0.217 115 G HA3 -0.215 3.746 3.960 0.001 0.000 0.217 115 G C 1.784 176.824 174.900 0.233 0.000 1.168 115 G CA 0.793 46.013 45.100 0.200 0.000 0.771 115 G HN 0.304 nan 8.290 nan 0.000 0.551 116 L N -1.107 120.330 121.223 0.356 0.000 2.042 116 L HA -0.129 4.212 4.340 0.001 0.000 0.210 116 L C 2.616 179.728 176.870 0.404 0.000 1.076 116 L CA 1.501 56.633 54.840 0.486 0.000 0.749 116 L CB -0.503 41.819 42.059 0.438 0.000 0.893 116 L HN 0.311 nan 8.230 nan 0.000 0.432 117 Y N -0.554 119.738 120.300 -0.014 0.000 2.220 117 Y HA -0.224 4.327 4.550 0.001 0.000 0.291 117 Y C 1.962 177.563 175.900 -0.500 0.000 1.129 117 Y CA 1.396 59.142 58.100 -0.590 0.000 1.161 117 Y CB -0.090 37.600 38.460 -1.283 0.000 0.997 117 Y HN 0.049 nan 8.280 nan 0.000 0.522 118 Y N -0.068 120.220 120.300 -0.020 0.000 2.466 118 Y HA 0.275 4.826 4.550 0.001 0.000 0.272 118 Y C 1.718 177.443 175.900 -0.292 0.000 1.169 118 Y CA 0.231 58.283 58.100 -0.081 0.000 1.285 118 Y CB 0.002 38.548 38.460 0.143 0.000 1.078 118 Y HN 0.192 nan 8.280 nan 0.000 0.523 119 G N -0.049 108.493 108.800 -0.429 0.000 2.273 119 G HA2 -0.327 3.633 3.960 0.001 0.000 0.280 119 G HA3 -0.327 3.633 3.960 0.001 0.000 0.280 119 G C 1.014 175.495 174.900 -0.699 0.000 1.047 119 G CA 0.659 45.215 45.100 -0.906 0.000 0.869 119 G HN 0.368 nan 8.290 nan 0.000 0.502 120 S N -0.835 114.613 115.700 -0.420 0.000 2.555 120 S HA 0.014 4.485 4.470 0.001 0.000 0.230 120 S C 1.706 176.217 174.600 -0.148 0.000 0.978 120 S CA 1.402 59.496 58.200 -0.177 0.000 0.934 120 S CB -0.253 62.913 63.200 -0.057 0.000 0.766 120 S HN 0.970 nan 8.310 nan 0.000 0.533 121 Y N 0.858 121.033 120.300 -0.208 0.000 2.462 121 Y HA 0.479 5.030 4.550 0.001 0.000 0.261 121 Y C 0.207 175.887 175.900 -0.365 0.000 1.146 121 Y CA -1.094 56.787 58.100 -0.365 0.000 1.283 121 Y CB -0.530 37.202 38.460 -1.214 0.000 1.090 121 Y HN -0.068 nan 8.280 nan 0.000 0.526 122 K N 1.639 121.793 120.400 -0.410 0.000 2.154 122 K HA 0.550 4.870 4.320 0.001 0.000 0.264 122 K C 0.358 176.848 176.600 -0.183 0.000 1.008 122 K CA -0.268 55.857 56.287 -0.269 0.000 0.937 122 K CB 0.864 33.152 32.500 -0.354 0.000 1.002 122 K HN 0.258 nan 8.250 nan 0.000 0.469 123 A N 3.336 126.057 122.820 -0.166 0.000 2.616 123 A HA -0.028 4.293 4.320 0.001 0.000 0.234 123 A C -1.406 176.133 177.584 -0.075 0.000 1.024 123 A CA -0.368 51.606 52.037 -0.105 0.000 0.758 123 A CB -0.388 18.558 19.000 -0.090 0.000 0.939 123 A HN 0.617 nan 8.150 nan 0.000 0.510 124 P HA 0.123 nan 4.420 nan 0.000 0.254 124 P C 0.170 177.471 177.300 0.002 0.000 1.494 124 P CA 0.070 63.159 63.100 -0.018 0.000 0.961 124 P CB 0.171 31.869 31.700 -0.004 0.000 1.493 125 R N 0.420 120.918 120.500 -0.003 0.000 2.555 125 R HA 0.112 4.453 4.340 0.001 0.000 0.272 125 R C 0.821 177.182 176.300 0.102 0.000 1.089 125 R CA 0.052 56.185 56.100 0.054 0.000 1.126 125 R CB -0.071 30.264 30.300 0.058 0.000 1.250 125 R HN 0.187 nan 8.270 nan 0.000 0.551 126 E N 0.352 120.581 120.200 0.049 0.000 2.106 126 E HA -0.129 4.222 4.350 0.001 0.000 0.192 126 E C 1.785 178.525 176.600 0.234 0.000 0.984 126 E CA 0.993 57.437 56.400 0.073 0.000 0.806 126 E CB 0.016 29.680 29.700 -0.060 0.000 0.750 126 E HN 0.043 nan 8.360 nan 0.000 0.458 127 V N 0.923 120.944 119.914 0.179 0.000 2.358 127 V HA -0.253 3.868 4.120 0.001 0.000 0.246 127 V C 2.116 178.328 176.094 0.196 0.000 1.047 127 V CA 2.117 64.517 62.300 0.167 0.000 1.035 127 V CB -0.868 30.997 31.823 0.070 0.000 0.658 127 V HN 0.340 nan 8.190 nan 0.000 0.452 128 T N -0.651 114.029 114.554 0.209 0.000 2.635 128 T HA -0.284 4.067 4.350 0.001 0.000 0.267 128 T C 1.563 176.484 174.700 0.368 0.000 1.040 128 T CA 1.998 64.267 62.100 0.282 0.000 1.156 128 T CB -0.409 68.612 68.868 0.256 0.000 0.863 128 T HN 0.691 nan 8.240 nan 0.000 0.430 129 W N 1.813 123.217 121.300 0.173 0.000 2.333 129 W HA -0.179 4.481 4.660 0.001 0.000 0.316 129 W C 1.804 178.406 176.519 0.139 0.000 1.215 129 W CA 0.943 58.378 57.345 0.150 0.000 1.278 129 W CB -0.370 29.157 29.460 0.111 0.000 1.154 129 W HN 0.128 nan 8.180 nan 0.000 0.486 130 I N 0.868 121.588 120.570 0.250 0.000 2.163 130 I HA -0.270 3.900 4.170 0.001 0.000 0.243 130 I C 2.480 178.610 176.117 0.022 0.000 1.085 130 I CA 1.104 62.492 61.300 0.146 0.000 1.347 130 I CB -1.790 36.362 38.000 0.254 0.000 1.044 130 I HN -0.156 nan 8.210 nan 0.000 0.408 131 V N 1.387 121.343 119.914 0.070 0.000 2.332 131 V HA -0.246 3.874 4.120 0.001 0.000 0.248 131 V C 2.704 178.744 176.094 -0.088 0.000 1.055 131 V CA 2.048 64.370 62.300 0.037 0.000 1.038 131 V CB -1.592 30.306 31.823 0.126 0.000 0.651 131 V HN 0.537 nan 8.190 nan 0.000 0.450 132 G N -0.512 108.190 108.800 -0.163 0.000 2.476 132 G HA2 -0.296 3.665 3.960 0.001 0.000 0.218 132 G HA3 -0.296 3.665 3.960 0.001 0.000 0.218 132 G C 1.522 176.231 174.900 -0.318 0.000 1.164 132 G CA 1.220 46.093 45.100 -0.378 0.000 0.768 132 G HN 0.319 nan 8.290 nan 0.000 0.560 133 M N 0.234 119.619 119.600 -0.357 0.000 2.149 133 M HA 0.029 4.510 4.480 0.001 0.000 0.261 133 M C 2.646 178.915 176.300 -0.051 0.000 1.064 133 M CA 0.945 56.120 55.300 -0.208 0.000 1.102 133 M CB -1.114 31.382 32.600 -0.174 0.000 1.369 133 M HN 0.217 nan 8.290 nan 0.000 0.408 134 L N -0.732 120.455 121.223 -0.060 0.000 2.056 134 L HA -0.212 4.128 4.340 0.001 0.000 0.207 134 L C 2.383 179.227 176.870 -0.044 0.000 1.078 134 L CA 0.983 55.806 54.840 -0.028 0.000 0.749 134 L CB -0.526 41.526 42.059 -0.013 0.000 0.901 134 L HN 0.209 nan 8.230 nan 0.000 0.433 135 I N -1.407 119.116 120.570 -0.079 0.000 2.163 135 I HA -0.368 3.803 4.170 0.001 0.000 0.243 135 I C 2.554 178.619 176.117 -0.088 0.000 1.085 135 I CA 1.448 62.688 61.300 -0.100 0.000 1.347 135 I CB -0.421 37.485 38.000 -0.155 0.000 1.044 135 I HN 0.185 nan 8.210 nan 0.000 0.408 136 Y N 1.605 121.789 120.300 -0.193 0.000 2.114 136 Y HA -0.280 4.270 4.550 0.001 0.000 0.282 136 Y C 2.294 178.144 175.900 -0.084 0.000 1.165 136 Y CA 1.618 59.624 58.100 -0.158 0.000 1.148 136 Y CB -0.539 37.842 38.460 -0.132 0.000 0.972 136 Y HN 0.035 nan 8.280 nan 0.000 0.504 137 L N -0.702 120.426 121.223 -0.158 0.000 1.994 137 L HA -0.255 4.085 4.340 0.001 0.000 0.208 137 L C 2.800 179.589 176.870 -0.136 0.000 1.071 137 L CA 1.310 56.040 54.840 -0.185 0.000 0.745 137 L CB -1.154 40.876 42.059 -0.048 0.000 0.892 137 L HN 0.295 nan 8.230 nan 0.000 0.431 138 A N -0.109 122.656 122.820 -0.091 0.000 1.892 138 A HA -0.290 4.030 4.320 0.001 0.000 0.218 138 A C 2.312 179.837 177.584 -0.098 0.000 1.188 138 A CA 2.179 54.176 52.037 -0.067 0.000 0.631 138 A CB -0.603 18.363 19.000 -0.058 0.000 0.822 138 A HN 0.351 nan 8.150 nan 0.000 0.447 139 M N -1.288 118.197 119.600 -0.191 0.000 2.073 139 M HA -0.245 4.236 4.480 0.001 0.000 0.258 139 M C 2.515 178.779 176.300 -0.060 0.000 1.070 139 M CA 2.225 57.352 55.300 -0.289 0.000 1.103 139 M CB -0.530 31.723 32.600 -0.579 0.000 1.321 139 M HN 0.451 nan 8.290 nan 0.000 0.405 140 M N -0.363 119.220 119.600 -0.029 0.000 2.080 140 M HA -0.202 4.279 4.480 0.001 0.000 0.260 140 M C 2.489 178.933 176.300 0.241 0.000 1.068 140 M CA 1.832 57.238 55.300 0.176 0.000 1.109 140 M CB -0.724 31.821 32.600 -0.092 0.000 1.342 140 M HN 0.421 nan 8.290 nan 0.000 0.405 141 A N 0.272 123.156 122.820 0.107 0.000 1.851 141 A HA -0.191 4.130 4.320 0.001 0.000 0.216 141 A C 2.204 179.899 177.584 0.186 0.000 1.195 141 A CA 2.524 54.662 52.037 0.169 0.000 0.622 141 A CB -1.352 17.701 19.000 0.089 0.000 0.831 141 A HN 0.477 nan 8.150 nan 0.000 0.444 142 T N 0.487 115.108 114.554 0.111 0.000 2.607 142 T HA -0.164 4.186 4.350 0.001 0.000 0.267 142 T C 2.223 177.040 174.700 0.194 0.000 1.049 142 T CA 2.312 64.500 62.100 0.147 0.000 1.162 142 T CB -0.737 68.167 68.868 0.060 0.000 0.863 142 T HN 0.683 nan 8.240 nan 0.000 0.424 143 A N 1.301 124.227 122.820 0.177 0.000 1.917 143 A HA -0.106 4.215 4.320 0.001 0.000 0.219 143 A C 2.034 179.736 177.584 0.197 0.000 1.182 143 A CA 1.933 54.066 52.037 0.160 0.000 0.633 143 A CB -1.040 18.029 19.000 0.115 0.000 0.819 143 A HN 0.514 nan 8.150 nan 0.000 0.448 144 F N 0.436 120.510 119.950 0.208 0.000 2.046 144 F HA -0.209 4.319 4.527 0.001 0.000 0.297 144 F C 2.224 178.050 175.800 0.043 0.000 1.123 144 F CA 2.172 60.304 58.000 0.221 0.000 1.199 144 F CB -0.663 38.431 39.000 0.157 0.000 0.972 144 F HN 0.191 nan 8.300 nan 0.000 0.474 145 M N 0.376 119.511 119.600 -0.775 0.000 2.117 145 M HA -0.104 4.376 4.480 0.001 0.000 0.262 145 M C 2.501 178.437 176.300 -0.606 0.000 1.065 145 M CA 1.710 56.433 55.300 -0.962 0.000 1.114 145 M CB -1.331 30.869 32.600 -0.666 0.000 1.361 145 M HN 0.393 nan 8.290 nan 0.000 0.408 146 G N -0.649 107.694 108.800 -0.762 0.000 2.459 146 G HA2 -0.296 3.665 3.960 0.001 0.000 0.217 146 G HA3 -0.296 3.665 3.960 0.001 0.000 0.217 146 G C 1.305 176.034 174.900 -0.284 0.000 1.183 146 G CA 0.780 45.276 45.100 -1.005 0.000 0.776 146 G HN 0.430 nan 8.290 nan 0.000 0.552 147 Y N 1.215 121.390 120.300 -0.209 0.000 2.384 147 Y HA -0.112 4.439 4.550 0.001 0.000 0.289 147 Y C 2.756 178.651 175.900 -0.008 0.000 1.152 147 Y CA 1.084 59.153 58.100 -0.052 0.000 1.258 147 Y CB 0.003 38.481 38.460 0.031 0.000 0.979 147 Y HN 0.064 nan 8.280 nan 0.000 0.549 148 V N -0.300 119.591 119.914 -0.038 0.000 2.488 148 V HA -0.284 3.837 4.120 0.001 0.000 0.246 148 V C 2.400 178.612 176.094 0.196 0.000 1.046 148 V CA 1.460 63.805 62.300 0.076 0.000 1.053 148 V CB -0.718 31.230 31.823 0.208 0.000 0.679 148 V HN 0.380 nan 8.190 nan 0.000 0.458 149 L N 0.077 121.365 121.223 0.107 0.000 2.034 149 L HA -0.217 4.124 4.340 0.001 0.000 0.217 149 L C 0.093 177.128 176.870 0.276 0.000 1.077 149 L CA 2.052 56.986 54.840 0.157 0.000 0.769 149 L CB -2.210 39.742 42.059 -0.179 0.000 0.890 149 L HN 0.361 nan 8.230 nan 0.000 0.435 150 P HA -0.240 nan 4.420 nan 0.000 0.218 150 P C 0.346 177.928 177.300 0.470 0.000 1.146 150 P CA 1.182 64.398 63.100 0.193 0.000 0.813 150 P CB -0.051 31.641 31.700 -0.012 0.000 0.778 151 W N -1.188 120.198 121.300 0.144 0.000 4.543 151 W HA -0.149 4.511 4.660 0.001 0.000 0.375 151 W C 0.110 176.738 176.519 0.183 0.000 1.434 151 W CA 0.011 57.452 57.345 0.160 0.000 0.818 151 W CB -1.436 28.127 29.460 0.172 0.000 2.575 151 W HN -0.070 nan 8.180 nan 0.000 1.345 152 G N 0.534 109.425 108.800 0.152 0.000 2.537 152 G HA2 0.245 4.206 3.960 0.001 0.000 0.297 152 G HA3 0.245 4.206 3.960 0.001 0.000 0.297 152 G C 0.584 175.412 174.900 -0.121 0.000 1.310 152 G CA 0.080 45.231 45.100 0.085 0.000 1.027 152 G HN 0.160 nan 8.290 nan 0.000 0.505 153 Q N -0.839 118.920 119.800 -0.068 0.000 2.030 153 Q HA -0.110 4.231 4.340 0.001 0.000 0.204 153 Q C 2.758 178.798 176.000 0.067 0.000 0.986 153 Q CA 1.243 57.044 55.803 -0.003 0.000 0.843 153 Q CB -0.311 28.474 28.738 0.079 0.000 0.904 153 Q HN 0.449 nan 8.270 nan 0.000 0.420 154 M N 0.137 119.747 119.600 0.018 0.000 2.213 154 M HA -0.099 4.382 4.480 0.001 0.000 0.263 154 M C 2.191 178.549 176.300 0.097 0.000 1.062 154 M CA 1.078 56.421 55.300 0.072 0.000 1.105 154 M CB -1.074 31.575 32.600 0.082 0.000 1.385 154 M HN 0.030 nan 8.290 nan 0.000 0.417 155 S N 0.378 116.013 115.700 -0.108 0.000 2.348 155 S HA -0.130 4.341 4.470 0.001 0.000 0.221 155 S C 1.729 176.263 174.600 -0.110 0.000 1.033 155 S CA 1.154 59.271 58.200 -0.138 0.000 1.010 155 S CB -0.418 62.684 63.200 -0.164 0.000 0.891 155 S HN 0.418 nan 8.310 nan 0.000 0.442 156 F N 0.757 120.399 119.950 -0.513 0.000 2.051 156 F HA -0.113 4.415 4.527 0.001 0.000 0.296 156 F C 1.848 177.302 175.800 -0.576 0.000 1.122 156 F CA 1.507 59.014 58.000 -0.821 0.000 1.201 156 F CB -0.490 37.758 39.000 -1.253 0.000 0.978 156 F HN 0.268 nan 8.300 nan 0.000 0.472 157 W N 0.060 121.395 121.300 0.059 0.000 2.425 157 W HA 0.019 4.680 4.660 0.001 0.000 0.277 157 W C 2.585 179.116 176.519 0.020 0.000 1.231 157 W CA 0.818 58.178 57.345 0.026 0.000 1.248 157 W CB -1.055 28.447 29.460 0.070 0.000 1.117 157 W HN 0.127 nan 8.180 nan 0.000 0.568 158 G N 0.363 109.308 108.800 0.241 0.000 2.402 158 G HA2 -0.180 3.781 3.960 0.001 0.000 0.216 158 G HA3 -0.180 3.781 3.960 0.001 0.000 0.216 158 G C 1.666 176.754 174.900 0.312 0.000 1.162 158 G CA 1.176 46.441 45.100 0.276 0.000 0.777 158 G HN 0.279 nan 8.290 nan 0.000 0.539 159 A N 0.290 123.259 122.820 0.249 0.000 1.902 159 A HA -0.015 4.306 4.320 0.001 0.000 0.217 159 A C 2.518 180.188 177.584 0.143 0.000 1.181 159 A CA 2.448 54.679 52.037 0.324 0.000 0.623 159 A CB -0.947 18.085 19.000 0.054 0.000 0.818 159 A HN 0.291 nan 8.150 nan 0.000 0.443 160 T N -0.393 114.116 114.554 -0.075 0.000 2.643 160 T HA -0.125 4.225 4.350 0.001 0.000 0.264 160 T C 1.893 176.667 174.700 0.123 0.000 1.045 160 T CA 1.696 63.784 62.100 -0.019 0.000 1.155 160 T CB -0.481 68.419 68.868 0.054 0.000 0.863 160 T HN 0.130 nan 8.240 nan 0.000 0.420 161 V N 1.808 121.816 119.914 0.158 0.000 2.392 161 V HA -0.132 3.989 4.120 0.001 0.000 0.249 161 V C 2.381 178.519 176.094 0.074 0.000 1.059 161 V CA 1.323 63.700 62.300 0.127 0.000 1.051 161 V CB -0.589 31.308 31.823 0.123 0.000 0.658 161 V HN 0.500 nan 8.190 nan 0.000 0.455 162 I N 0.686 121.273 120.570 0.028 0.000 2.406 162 I HA -0.138 4.033 4.170 0.001 0.000 0.249 162 I C 2.633 178.840 176.117 0.149 0.000 1.122 162 I CA 1.910 63.150 61.300 -0.100 0.000 1.431 162 I CB -1.301 36.310 38.000 -0.648 0.000 1.087 162 I HN 0.487 nan 8.210 nan 0.000 0.424 163 T N -0.559 114.141 114.554 0.243 0.000 2.821 163 T HA -0.041 4.310 4.350 0.001 0.000 0.267 163 T C 2.074 176.988 174.700 0.358 0.000 1.046 163 T CA 1.059 63.366 62.100 0.345 0.000 1.139 163 T CB -1.047 67.973 68.868 0.252 0.000 0.871 163 T HN 0.390 nan 8.240 nan 0.000 0.454 164 G N 1.869 110.807 108.800 0.229 0.000 2.450 164 G HA2 -0.113 3.848 3.960 0.001 0.000 0.220 164 G HA3 -0.113 3.848 3.960 0.001 0.000 0.220 164 G C 1.486 176.487 174.900 0.168 0.000 1.130 164 G CA 0.692 45.906 45.100 0.190 0.000 0.760 164 G HN 0.520 nan 8.290 nan 0.000 0.557 165 L N -0.800 120.495 121.223 0.121 0.000 2.129 165 L HA -0.100 4.241 4.340 0.001 0.000 0.212 165 L C 2.568 179.349 176.870 -0.148 0.000 1.087 165 L CA 0.973 55.789 54.840 -0.041 0.000 0.757 165 L CB -0.426 41.524 42.059 -0.182 0.000 0.896 165 L HN 0.187 nan 8.230 nan 0.000 0.434 166 F N -0.461 119.547 119.950 0.096 0.000 2.456 166 F HA 0.030 4.557 4.527 0.001 0.000 0.298 166 F C 2.295 178.136 175.800 0.067 0.000 1.104 166 F CA 0.759 58.802 58.000 0.072 0.000 1.435 166 F CB -0.682 38.367 39.000 0.082 0.000 1.078 166 F HN -0.031 nan 8.300 nan 0.000 0.546 167 G N -0.587 108.351 108.800 0.231 0.000 3.279 167 G HA2 0.273 4.233 3.960 0.001 0.000 0.230 167 G HA3 0.273 4.233 3.960 0.001 0.000 0.230 167 G C 1.194 176.154 174.900 0.099 0.000 1.230 167 G CA 0.566 45.773 45.100 0.178 0.000 0.891 167 G HN 0.366 nan 8.290 nan 0.000 0.518 168 A N -0.108 122.750 122.820 0.062 0.000 2.419 168 A HA 0.474 4.795 4.320 0.001 0.000 0.233 168 A C 0.778 178.259 177.584 -0.171 0.000 1.217 168 A CA -0.337 51.719 52.037 0.031 0.000 0.944 168 A CB 0.255 19.344 19.000 0.149 0.000 1.025 168 A HN 0.287 nan 8.150 nan 0.000 0.524 169 I N 2.155 122.626 120.570 -0.165 0.000 2.533 169 I HA 0.139 4.310 4.170 0.001 0.000 0.284 169 I C -2.347 173.535 176.117 -0.392 0.000 1.109 169 I CA -1.729 59.356 61.300 -0.358 0.000 1.412 169 I CB 0.944 38.875 38.000 -0.115 0.000 1.396 169 I HN 0.042 nan 8.210 nan 0.000 0.543 170 P HA 0.053 nan 4.420 nan 0.000 0.265 170 P C 0.822 178.007 177.300 -0.191 0.000 1.193 170 P CA 0.738 63.621 63.100 -0.361 0.000 0.765 170 P CB 0.817 32.285 31.700 -0.387 0.000 0.823 171 G N 3.768 112.498 108.800 -0.118 0.000 5.452 171 G HA2 -0.384 3.576 3.960 0.001 0.000 0.310 171 G HA3 -0.384 3.576 3.960 0.001 0.000 0.310 171 G C 1.037 175.911 174.900 -0.043 0.000 1.392 171 G CA 0.462 45.520 45.100 -0.070 0.000 0.942 171 G HN 0.611 nan 8.290 nan 0.000 0.776 172 I N 0.910 121.448 120.570 -0.052 0.000 2.928 172 I HA 0.330 4.501 4.170 0.001 0.000 0.266 172 I C 2.475 178.591 176.117 -0.002 0.000 1.234 172 I CA 1.490 62.769 61.300 -0.035 0.000 1.483 172 I CB -0.962 37.006 38.000 -0.054 0.000 1.097 172 I HN 0.537 nan 8.210 nan 0.000 0.455 173 G N 1.767 110.567 108.800 -0.000 0.000 2.681 173 G HA2 -0.388 3.573 3.960 0.001 0.000 0.220 173 G HA3 -0.388 3.573 3.960 0.001 0.000 0.220 173 G C 1.665 176.642 174.900 0.128 0.000 1.210 173 G CA 1.584 46.716 45.100 0.054 0.000 0.783 173 G HN 0.648 nan 8.290 nan 0.000 0.609 174 H N 0.063 119.149 119.070 0.028 0.000 2.489 174 H HA -0.019 4.537 4.556 0.001 0.000 0.293 174 H C 2.726 178.090 175.328 0.061 0.000 1.066 174 H CA 1.225 57.302 56.048 0.049 0.000 1.305 174 H CB 0.199 29.980 29.762 0.032 0.000 1.386 174 H HN 0.374 nan 8.280 nan 0.000 0.551 175 S N 0.241 115.946 115.700 0.008 0.000 2.335 175 S HA -0.081 4.390 4.470 0.001 0.000 0.217 175 S C 2.286 176.885 174.600 -0.003 0.000 1.032 175 S CA 0.846 59.020 58.200 -0.044 0.000 0.985 175 S CB -0.089 63.088 63.200 -0.037 0.000 0.896 175 S HN 0.330 nan 8.310 nan 0.000 0.445 176 I N 1.665 122.248 120.570 0.021 0.000 2.145 176 I HA -0.327 3.844 4.170 0.001 0.000 0.244 176 I C 2.796 179.030 176.117 0.195 0.000 1.075 176 I CA 1.744 63.096 61.300 0.086 0.000 1.332 176 I CB -0.458 37.602 38.000 0.100 0.000 1.033 176 I HN 0.439 nan 8.210 nan 0.000 0.410 177 Q N 0.393 120.281 119.800 0.147 0.000 2.124 177 Q HA -0.201 4.140 4.340 0.001 0.000 0.202 177 Q C 2.027 178.063 176.000 0.060 0.000 0.977 177 Q CA 2.141 58.027 55.803 0.138 0.000 0.850 177 Q CB -0.014 28.821 28.738 0.161 0.000 0.901 177 Q HN 0.413 nan 8.270 nan 0.000 0.429 178 T N -0.269 114.263 114.554 -0.037 0.000 2.951 178 T HA -0.130 4.220 4.350 0.001 0.000 0.268 178 T C 0.732 175.469 174.700 0.061 0.000 1.073 178 T CA 1.022 63.085 62.100 -0.061 0.000 1.134 178 T CB -0.285 68.470 68.868 -0.188 0.000 0.884 178 T HN 0.554 nan 8.240 nan 0.000 0.479 179 W N 1.393 122.640 121.300 -0.088 0.000 2.453 179 W HA 0.140 4.801 4.660 0.001 0.000 0.289 179 W C 1.520 178.007 176.519 -0.054 0.000 1.215 179 W CA 0.443 57.749 57.345 -0.065 0.000 1.297 179 W CB -0.379 29.045 29.460 -0.061 0.000 1.113 179 W HN 0.117 nan 8.180 nan 0.000 0.551 180 L N 0.368 121.611 121.223 0.032 0.000 2.141 180 L HA -0.178 4.163 4.340 0.001 0.000 0.209 180 L C 2.156 178.930 176.870 -0.161 0.000 1.094 180 L CA 1.086 55.833 54.840 -0.156 0.000 0.763 180 L CB -0.675 41.380 42.059 -0.007 0.000 0.908 180 L HN 0.064 nan 8.230 nan 0.000 0.437 181 L N -0.925 120.239 121.223 -0.099 0.000 2.509 181 L HA 0.165 4.505 4.340 0.001 0.000 0.222 181 L C 1.606 178.390 176.870 -0.143 0.000 1.123 181 L CA 0.476 55.238 54.840 -0.129 0.000 0.856 181 L CB -0.498 41.524 42.059 -0.061 0.000 0.985 181 L HN 0.411 nan 8.230 nan 0.000 0.456 182 G N 0.448 109.168 108.800 -0.133 0.000 2.212 182 G HA2 -0.171 3.790 3.960 0.001 0.000 0.267 182 G HA3 -0.171 3.790 3.960 0.001 0.000 0.267 182 G C 0.443 175.303 174.900 -0.068 0.000 1.002 182 G CA 0.338 45.370 45.100 -0.112 0.000 0.729 182 G HN 0.680 nan 8.290 nan 0.000 0.517 183 G N -1.815 106.956 108.800 -0.048 0.000 2.428 183 G HA2 0.708 4.669 3.960 0.001 0.000 0.304 183 G HA3 0.708 4.669 3.960 0.001 0.000 0.304 183 G C -2.126 172.773 174.900 -0.002 0.000 1.303 183 G CA 0.288 45.375 45.100 -0.022 0.000 0.825 183 G HN 0.252 nan 8.290 nan 0.000 0.484 184 P HA 0.397 nan 4.420 nan 0.000 0.249 184 P C 0.303 177.646 177.300 0.071 0.000 1.229 184 P CA 1.122 64.257 63.100 0.059 0.000 0.788 184 P CB 0.758 32.498 31.700 0.068 0.000 1.072 185 A N -1.106 121.742 122.820 0.048 0.000 2.536 185 A HA 0.457 4.777 4.320 0.001 0.000 0.293 185 A C -1.257 176.327 177.584 0.000 0.000 1.119 185 A CA -0.531 51.537 52.037 0.051 0.000 0.654 185 A CB 0.885 19.945 19.000 0.101 0.000 1.291 185 A HN -0.191 nan 8.150 nan 0.000 0.439 186 V N 1.936 121.807 119.914 -0.071 0.000 2.470 186 V HA 0.466 4.587 4.120 0.001 0.000 0.276 186 V C -0.154 176.006 176.094 0.111 0.000 1.040 186 V CA 0.848 63.050 62.300 -0.162 0.000 1.008 186 V CB 0.787 32.203 31.823 -0.677 0.000 0.990 186 V HN 0.928 nan 8.190 nan 0.000 0.477 187 D N 3.025 123.500 120.400 0.124 0.000 2.921 187 D HA 0.194 4.835 4.640 0.001 0.000 0.329 187 D C 0.884 177.158 176.300 -0.043 0.000 1.293 187 D CA -0.639 53.465 54.000 0.173 0.000 0.964 187 D CB 1.086 41.926 40.800 0.065 0.000 1.435 187 D HN 0.255 nan 8.370 nan 0.000 0.548 188 N N -0.106 118.481 118.700 -0.188 0.000 2.061 188 N HA -0.179 4.561 4.740 0.001 0.000 0.193 188 N C 1.514 176.840 175.510 -0.306 0.000 1.030 188 N CA 2.530 55.344 53.050 -0.394 0.000 0.856 188 N CB -0.278 37.932 38.487 -0.462 0.000 1.023 188 N HN 0.366 nan 8.380 nan 0.000 0.424 189 A N -0.948 121.746 122.820 -0.210 0.000 1.940 189 A HA -0.170 4.150 4.320 0.001 0.000 0.219 189 A C 2.253 179.689 177.584 -0.247 0.000 1.176 189 A CA 2.298 54.222 52.037 -0.187 0.000 0.631 189 A CB -1.176 17.739 19.000 -0.142 0.000 0.814 189 A HN 0.493 nan 8.150 nan 0.000 0.446 190 T N -0.049 114.326 114.554 -0.298 0.000 2.732 190 T HA -0.097 4.254 4.350 0.001 0.000 0.261 190 T C 1.837 176.170 174.700 -0.613 0.000 1.040 190 T CA 1.281 63.068 62.100 -0.522 0.000 1.145 190 T CB -0.466 68.108 68.868 -0.490 0.000 0.866 190 T HN 0.295 nan 8.240 nan 0.000 0.427 191 L N 2.093 123.074 121.223 -0.403 0.000 2.013 191 L HA -0.099 4.241 4.340 0.001 0.000 0.212 191 L C 2.029 178.839 176.870 -0.100 0.000 1.073 191 L CA 1.836 56.505 54.840 -0.286 0.000 0.753 191 L CB -1.230 40.437 42.059 -0.652 0.000 0.890 191 L HN 0.281 nan 8.230 nan 0.000 0.432 192 N N -0.898 117.713 118.700 -0.149 0.000 2.149 192 N HA -0.255 4.485 4.740 0.001 0.000 0.188 192 N C 1.952 177.515 175.510 0.089 0.000 1.019 192 N CA 1.295 54.337 53.050 -0.013 0.000 0.857 192 N CB -0.086 38.355 38.487 -0.078 0.000 0.997 192 N HN 0.515 nan 8.380 nan 0.000 0.426 193 R N -0.852 119.649 120.500 0.003 0.000 2.161 193 R HA -0.011 4.330 4.340 0.001 0.000 0.213 193 R C 1.253 177.701 176.300 0.245 0.000 1.055 193 R CA 0.612 56.748 56.100 0.059 0.000 0.996 193 R CB -0.379 29.889 30.300 -0.053 0.000 0.901 193 R HN 0.120 nan 8.270 nan 0.000 0.456 194 F N 1.054 121.014 119.950 0.016 0.000 2.186 194 F HA -0.039 4.488 4.527 0.001 0.000 0.299 194 F C 2.072 177.926 175.800 0.091 0.000 1.090 194 F CA -0.020 57.985 58.000 0.008 0.000 1.307 194 F CB -1.024 37.954 39.000 -0.037 0.000 1.019 194 F HN -0.054 nan 8.300 nan 0.000 0.489 195 F N 0.596 120.699 119.950 0.254 0.000 2.069 195 F HA -0.257 4.270 4.527 0.001 0.000 0.298 195 F C 2.806 178.752 175.800 0.243 0.000 1.113 195 F CA 1.866 60.010 58.000 0.241 0.000 1.214 195 F CB -1.035 38.114 39.000 0.248 0.000 0.978 195 F HN -0.045 nan 8.300 nan 0.000 0.474 196 S N 0.293 116.001 115.700 0.013 0.000 2.365 196 S HA -0.203 4.268 4.470 0.001 0.000 0.225 196 S C 2.172 176.734 174.600 -0.065 0.000 1.039 196 S CA 1.838 59.981 58.200 -0.095 0.000 1.033 196 S CB -0.639 62.572 63.200 0.019 0.000 0.887 196 S HN 0.456 nan 8.310 nan 0.000 0.447 197 L N 0.208 121.442 121.223 0.017 0.000 2.156 197 L HA -0.030 4.311 4.340 0.001 0.000 0.208 197 L C 2.588 179.469 176.870 0.019 0.000 1.095 197 L CA 1.512 56.364 54.840 0.020 0.000 0.770 197 L CB -0.672 41.403 42.059 0.027 0.000 0.914 197 L HN 0.433 nan 8.230 nan 0.000 0.439 198 H N -0.914 118.099 119.070 -0.095 0.000 2.387 198 H HA -0.232 4.325 4.556 0.001 0.000 0.299 198 H C 2.031 177.291 175.328 -0.114 0.000 1.090 198 H CA 1.658 57.639 56.048 -0.112 0.000 1.332 198 H CB -0.049 29.653 29.762 -0.100 0.000 1.386 198 H HN 0.232 nan 8.280 nan 0.000 0.516 199 Y N -0.066 120.021 120.300 -0.355 0.000 2.220 199 Y HA -0.096 4.455 4.550 0.001 0.000 0.291 199 Y C 2.358 178.138 175.900 -0.200 0.000 1.129 199 Y CA 1.370 59.250 58.100 -0.367 0.000 1.161 199 Y CB -0.660 37.556 38.460 -0.407 0.000 0.997 199 Y HN 0.347 nan 8.280 nan 0.000 0.522 200 L N -0.371 120.932 121.223 0.132 0.000 2.056 200 L HA -0.144 4.196 4.340 0.001 0.000 0.207 200 L C 2.133 179.069 176.870 0.110 0.000 1.078 200 L CA 1.574 56.524 54.840 0.184 0.000 0.749 200 L CB -0.911 41.201 42.059 0.089 0.000 0.901 200 L HN 0.234 nan 8.230 nan 0.000 0.433 201 L N -0.204 121.018 121.223 -0.001 0.000 2.043 201 L HA -0.185 4.156 4.340 0.001 0.000 0.212 201 L C -0.053 176.767 176.870 -0.083 0.000 1.075 201 L CA 1.683 56.508 54.840 -0.025 0.000 0.752 201 L CB -1.861 40.181 42.059 -0.028 0.000 0.891 201 L HN 0.282 nan 8.230 nan 0.000 0.432 202 P HA -0.186 nan 4.420 nan 0.000 0.217 202 P C 1.338 178.480 177.300 -0.264 0.000 1.148 202 P CA 1.476 64.391 63.100 -0.308 0.000 0.828 202 P CB -0.028 31.360 31.700 -0.519 0.000 0.783 203 F N -1.522 118.425 119.950 -0.005 0.000 2.325 203 F HA -0.097 4.431 4.527 0.001 0.000 0.299 203 F C 2.249 178.051 175.800 0.005 0.000 1.090 203 F CA 0.788 58.791 58.000 0.005 0.000 1.392 203 F CB -1.472 37.534 39.000 0.010 0.000 1.053 203 F HN -0.241 nan 8.300 nan 0.000 0.521 204 V N 0.175 120.180 119.914 0.151 0.000 2.379 204 V HA -0.249 3.871 4.120 0.001 0.000 0.245 204 V C 2.364 178.494 176.094 0.059 0.000 1.044 204 V CA 1.439 63.795 62.300 0.093 0.000 1.036 204 V CB -0.532 31.329 31.823 0.062 0.000 0.664 204 V HN 0.248 nan 8.190 nan 0.000 0.453 205 I N 0.693 121.277 120.570 0.024 0.000 2.163 205 I HA -0.291 3.880 4.170 0.001 0.000 0.243 205 I C 2.739 178.881 176.117 0.041 0.000 1.085 205 I CA 1.630 62.934 61.300 0.007 0.000 1.347 205 I CB -0.693 37.294 38.000 -0.021 0.000 1.044 205 I HN 0.308 nan 8.210 nan 0.000 0.408 206 A N 0.902 123.755 122.820 0.055 0.000 1.892 206 A HA -0.254 4.067 4.320 0.001 0.000 0.218 206 A C 2.550 180.188 177.584 0.090 0.000 1.188 206 A CA 2.290 54.374 52.037 0.080 0.000 0.631 206 A CB -0.955 18.114 19.000 0.115 0.000 0.822 206 A HN 0.469 nan 8.150 nan 0.000 0.447 207 A N -0.646 122.232 122.820 0.096 0.000 1.933 207 A HA 0.003 4.324 4.320 0.001 0.000 0.218 207 A C 2.190 179.828 177.584 0.090 0.000 1.175 207 A CA 1.464 53.553 52.037 0.086 0.000 0.628 207 A CB -0.558 18.491 19.000 0.081 0.000 0.814 207 A HN 0.478 nan 8.150 nan 0.000 0.444 208 L N -0.650 120.620 121.223 0.079 0.000 2.056 208 L HA -0.148 4.193 4.340 0.001 0.000 0.207 208 L C 2.500 179.437 176.870 0.111 0.000 1.078 208 L CA 0.957 55.844 54.840 0.078 0.000 0.749 208 L CB -0.487 41.593 42.059 0.036 0.000 0.901 208 L HN 0.235 nan 8.230 nan 0.000 0.433 209 V N 0.095 120.072 119.914 0.105 0.000 2.392 209 V HA -0.328 3.793 4.120 0.001 0.000 0.249 209 V C 2.730 178.932 176.094 0.180 0.000 1.059 209 V CA 1.756 64.153 62.300 0.163 0.000 1.051 209 V CB -0.872 31.034 31.823 0.138 0.000 0.658 209 V HN 0.499 nan 8.190 nan 0.000 0.455 210 A N 0.069 122.965 122.820 0.126 0.000 1.877 210 A HA -0.205 4.116 4.320 0.001 0.000 0.216 210 A C 2.145 179.820 177.584 0.153 0.000 1.186 210 A CA 2.125 54.220 52.037 0.096 0.000 0.620 210 A CB -0.546 18.491 19.000 0.062 0.000 0.822 210 A HN 0.504 nan 8.150 nan 0.000 0.443 211 I N -1.428 119.263 120.570 0.202 0.000 2.315 211 I HA -0.241 3.930 4.170 0.001 0.000 0.248 211 I C 2.457 178.697 176.117 0.205 0.000 1.117 211 I CA 1.637 63.098 61.300 0.267 0.000 1.404 211 I CB -0.443 37.680 38.000 0.205 0.000 1.071 211 I HN 0.534 nan 8.210 nan 0.000 0.419 212 H N 1.326 120.444 119.070 0.080 0.000 2.289 212 H HA -0.198 4.359 4.556 0.001 0.000 0.296 212 H C 2.168 177.454 175.328 -0.071 0.000 1.091 212 H CA 2.075 58.172 56.048 0.080 0.000 1.274 212 H CB -0.261 29.590 29.762 0.148 0.000 1.364 212 H HN 0.210 nan 8.280 nan 0.000 0.490 213 I N -0.886 119.604 120.570 -0.133 0.000 2.118 213 I HA -0.339 3.832 4.170 0.001 0.000 0.241 213 I C 2.288 178.042 176.117 -0.604 0.000 1.070 213 I CA 1.476 62.378 61.300 -0.663 0.000 1.327 213 I CB -0.457 37.438 38.000 -0.175 0.000 1.034 213 I HN 0.447 nan 8.210 nan 0.000 0.405 214 W N 1.990 123.073 121.300 -0.361 0.000 2.321 214 W HA -0.283 4.378 4.660 0.001 0.000 0.306 214 W C 2.552 178.953 176.519 -0.197 0.000 1.217 214 W CA 1.776 58.980 57.345 -0.235 0.000 1.257 214 W CB -0.810 28.571 29.460 -0.131 0.000 1.145 214 W HN 0.176 nan 8.180 nan 0.000 0.509 215 A N 0.852 123.588 122.820 -0.139 0.000 1.859 215 A HA -0.240 4.080 4.320 0.001 0.000 0.217 215 A C 2.042 179.581 177.584 -0.076 0.000 1.198 215 A CA 2.539 54.477 52.037 -0.166 0.000 0.629 215 A CB -1.830 17.141 19.000 -0.049 0.000 0.830 215 A HN 0.539 nan 8.150 nan 0.000 0.446 216 F N -1.861 118.084 119.950 -0.008 0.000 2.502 216 F HA 0.047 4.574 4.527 0.001 0.000 0.298 216 F C 1.927 177.704 175.800 -0.038 0.000 1.111 216 F CA 1.064 59.036 58.000 -0.045 0.000 1.445 216 F CB -1.001 37.928 39.000 -0.117 0.000 1.081 216 F HN 0.320 nan 8.300 nan 0.000 0.558 217 H N 0.076 119.108 119.070 -0.063 0.000 2.462 217 H HA 0.004 4.560 4.556 0.001 0.000 0.292 217 H C 1.969 177.358 175.328 0.102 0.000 1.049 217 H CA 1.380 57.469 56.048 0.068 0.000 1.334 217 H CB 0.133 29.890 29.762 -0.010 0.000 1.404 217 H HN 0.351 nan 8.280 nan 0.000 0.544 218 S N -0.252 115.552 115.700 0.173 0.000 2.406 218 S HA -0.098 4.372 4.470 0.001 0.000 0.228 218 S C 2.270 176.918 174.600 0.080 0.000 1.020 218 S CA 1.589 59.855 58.200 0.109 0.000 0.965 218 S CB -0.047 63.141 63.200 -0.021 0.000 0.798 218 S HN 0.652 nan 8.310 nan 0.000 0.488 219 T N -1.674 112.928 114.554 0.080 0.000 3.015 219 T HA 0.508 4.859 4.350 0.001 0.000 0.250 219 T C 0.933 175.674 174.700 0.070 0.000 1.057 219 T CA 0.465 62.603 62.100 0.065 0.000 1.066 219 T CB 0.184 69.086 68.868 0.057 0.000 0.959 219 T HN 0.643 nan 8.240 nan 0.000 0.488 220 G N 1.738 110.593 108.800 0.091 0.000 2.712 220 G HA2 -0.090 3.871 3.960 0.001 0.000 0.686 220 G HA3 -0.090 3.871 3.960 0.001 0.000 0.686 220 G C -1.045 173.886 174.900 0.052 0.000 1.181 220 G CA -0.896 44.241 45.100 0.062 0.000 0.762 220 G HN 0.500 nan 8.290 nan 0.000 0.641 221 N N 0.472 119.173 118.700 0.001 0.000 2.508 221 N HA 0.215 4.956 4.740 0.001 0.000 0.264 221 N C 0.427 175.958 175.510 0.036 0.000 1.216 221 N CA -0.137 52.900 53.050 -0.023 0.000 0.943 221 N CB 0.893 39.320 38.487 -0.100 0.000 1.113 221 N HN 0.738 nan 8.380 nan 0.000 0.447 222 N N 0.534 119.303 118.700 0.115 0.000 2.524 222 N HA 0.071 4.812 4.740 0.001 0.000 0.283 222 N C -0.840 174.808 175.510 0.230 0.000 1.142 222 N CA -0.434 52.703 53.050 0.145 0.000 0.984 222 N CB 0.589 39.160 38.487 0.141 0.000 1.155 222 N HN 0.624 nan 8.380 nan 0.000 0.467 223 N N 1.247 119.973 118.700 0.043 0.000 2.525 223 N HA 0.544 5.285 4.740 0.001 0.000 0.288 223 N C -2.411 173.004 175.510 -0.160 0.000 1.242 223 N CA -1.551 51.332 53.050 -0.278 0.000 0.905 223 N CB 0.964 39.281 38.487 -0.284 0.000 1.258 223 N HN 0.244 nan 8.380 nan 0.000 0.551 224 P HA -0.091 nan 4.420 nan 0.000 0.226 224 P C 0.517 177.964 177.300 0.244 0.000 1.146 224 P CA 1.357 64.409 63.100 -0.080 0.000 0.773 224 P CB -0.020 31.565 31.700 -0.192 0.000 0.772 225 T N -6.421 108.232 114.554 0.165 0.000 3.040 225 T HA 0.311 4.662 4.350 0.001 0.000 0.250 225 T C 1.648 176.532 174.700 0.308 0.000 1.058 225 T CA 0.494 62.787 62.100 0.323 0.000 0.988 225 T CB -0.712 68.314 68.868 0.263 0.000 0.993 225 T HN 0.170 nan 8.240 nan 0.000 0.519 226 G N 1.096 110.004 108.800 0.181 0.000 2.196 226 G HA2 -0.251 3.709 3.960 0.001 0.000 0.268 226 G HA3 -0.251 3.709 3.960 0.001 0.000 0.268 226 G C 0.091 175.029 174.900 0.063 0.000 0.975 226 G CA 0.271 45.437 45.100 0.110 0.000 0.648 226 G HN 0.769 nan 8.290 nan 0.000 0.538 227 V N 1.749 121.701 119.914 0.064 0.000 2.406 227 V HA 0.402 4.523 4.120 0.001 0.000 0.272 227 V C 0.693 176.790 176.094 0.005 0.000 1.043 227 V CA -1.129 61.184 62.300 0.021 0.000 0.915 227 V CB 1.542 33.372 31.823 0.013 0.000 0.988 227 V HN 0.287 nan 8.190 nan 0.000 0.466 228 E N 2.602 122.800 120.200 -0.003 0.000 2.422 228 E HA 0.161 4.512 4.350 0.001 0.000 0.260 228 E C -0.076 176.518 176.600 -0.009 0.000 1.108 228 E CA -0.154 56.242 56.400 -0.005 0.000 0.943 228 E CB 1.115 30.812 29.700 -0.005 0.000 0.961 228 E HN 0.394 nan 8.360 nan 0.000 0.443 229 V N 2.475 122.383 119.914 -0.009 0.000 2.811 229 V HA 0.030 4.151 4.120 0.001 0.000 0.302 229 V C 1.019 177.109 176.094 -0.006 0.000 1.063 229 V CA 0.088 62.381 62.300 -0.011 0.000 1.088 229 V CB 0.539 32.359 31.823 -0.005 0.000 0.982 229 V HN 0.459 nan 8.190 nan 0.000 0.485 230 R N 3.757 124.252 120.500 -0.008 0.000 2.491 230 R HA 0.306 4.646 4.340 0.001 0.000 0.283 230 R C 0.451 176.749 176.300 -0.004 0.000 1.072 230 R CA -0.104 55.992 56.100 -0.007 0.000 1.048 230 R CB 0.476 30.771 30.300 -0.008 0.000 0.983 230 R HN 0.609 nan 8.270 nan 0.000 0.450 231 R N 1.348 121.846 120.500 -0.004 0.000 2.662 231 R HA 0.081 4.422 4.340 0.001 0.000 0.396 231 R C 0.473 176.768 176.300 -0.009 0.000 1.096 231 R CA 0.039 56.135 56.100 -0.006 0.000 1.081 231 R CB 0.788 31.085 30.300 -0.004 0.000 1.382 231 R HN 0.657 nan 8.270 nan 0.000 0.580 232 T N -2.048 112.502 114.554 -0.007 0.000 3.065 232 T HA 0.046 4.397 4.350 0.001 0.000 0.252 232 T C 0.691 175.387 174.700 -0.006 0.000 1.099 232 T CA 0.226 62.322 62.100 -0.006 0.000 1.063 232 T CB 0.176 69.042 68.868 -0.005 0.000 0.948 232 T HN 0.197 nan 8.240 nan 0.000 0.506 233 S N -0.242 115.455 115.700 -0.005 0.000 2.604 233 S HA 0.309 4.780 4.470 0.001 0.000 0.296 233 S C 0.162 174.762 174.600 0.001 0.000 1.097 233 S CA -1.130 57.069 58.200 -0.002 0.000 0.883 233 S CB 1.377 64.578 63.200 0.001 0.000 1.081 233 S HN 0.087 nan 8.310 nan 0.000 0.448 234 K N 1.583 121.986 120.400 0.005 0.000 2.218 234 K HA -0.170 4.150 4.320 0.001 0.000 0.205 234 K C 2.205 178.816 176.600 0.019 0.000 1.046 234 K CA 1.569 57.866 56.287 0.016 0.000 0.933 234 K CB -0.680 31.838 32.500 0.029 0.000 0.728 234 K HN 0.721 nan 8.250 nan 0.000 0.454 235 A N 2.923 125.751 122.820 0.014 0.000 1.841 235 A HA -0.242 4.079 4.320 0.001 0.000 0.216 235 A C 2.168 179.755 177.584 0.006 0.000 1.199 235 A CA 1.968 54.012 52.037 0.011 0.000 0.621 235 A CB -0.520 18.485 19.000 0.009 0.000 0.835 235 A HN 0.566 nan 8.150 nan 0.000 0.445 236 E N -0.367 119.835 120.200 0.002 0.000 2.299 236 E HA 0.193 4.544 4.350 0.001 0.000 0.193 236 E C 1.897 178.493 176.600 -0.006 0.000 0.998 236 E CA 0.696 57.095 56.400 -0.002 0.000 0.851 236 E CB -0.305 29.394 29.700 -0.002 0.000 0.795 236 E HN 0.485 nan 8.360 nan 0.000 0.492 237 A N 1.885 124.704 122.820 -0.001 0.000 1.933 237 A HA -0.212 4.108 4.320 0.001 0.000 0.218 237 A C 2.138 179.719 177.584 -0.006 0.000 1.175 237 A CA 1.419 53.456 52.037 -0.000 0.000 0.628 237 A CB -0.435 18.571 19.000 0.010 0.000 0.814 237 A HN 0.251 nan 8.150 nan 0.000 0.444 238 Q N -0.570 119.228 119.800 -0.003 0.000 2.369 238 Q HA -0.048 4.293 4.340 0.001 0.000 0.206 238 Q C 1.785 177.755 176.000 -0.050 0.000 0.963 238 Q CA 0.910 56.703 55.803 -0.017 0.000 0.894 238 Q CB -0.055 28.684 28.738 0.002 0.000 0.965 238 Q HN 0.617 nan 8.270 nan 0.000 0.475 239 K N 0.538 120.916 120.400 -0.036 0.000 2.097 239 K HA -0.114 4.206 4.320 0.001 0.000 0.205 239 K C 1.140 177.697 176.600 -0.072 0.000 1.050 239 K CA 1.100 57.364 56.287 -0.039 0.000 0.938 239 K CB 0.191 32.683 32.500 -0.014 0.000 0.718 239 K HN 0.197 nan 8.250 nan 0.000 0.442 240 D N 0.175 120.533 120.400 -0.070 0.000 2.271 240 D HA -0.042 4.598 4.640 0.001 0.000 0.206 240 D C 1.140 177.353 176.300 -0.145 0.000 0.967 240 D CA 0.826 54.771 54.000 -0.091 0.000 0.867 240 D CB 0.348 41.117 40.800 -0.052 0.000 0.960 240 D HN 0.305 nan 8.370 nan 0.000 0.509 241 T N -1.488 112.993 114.554 -0.123 0.000 2.841 241 T HA 0.634 4.985 4.350 0.001 0.000 0.276 241 T C -0.091 174.502 174.700 -0.179 0.000 1.003 241 T CA -0.834 61.196 62.100 -0.117 0.000 0.995 241 T CB 2.147 71.004 68.868 -0.019 0.000 1.260 241 T HN -0.079 nan 8.240 nan 0.000 0.581 242 V N -2.751 117.079 119.914 -0.139 0.000 2.969 242 V HA 0.751 4.872 4.120 0.001 0.000 0.304 242 V C -3.200 172.914 176.094 0.032 0.000 1.192 242 V CA -2.635 59.531 62.300 -0.224 0.000 0.962 242 V CB 1.865 33.287 31.823 -0.669 0.000 1.045 242 V HN 0.932 nan 8.190 nan 0.000 0.428 243 P HA 0.109 nan 4.420 nan 0.000 0.268 243 P C 0.545 178.051 177.300 0.345 0.000 1.205 243 P CA 0.119 63.368 63.100 0.249 0.000 0.771 243 P CB 0.790 32.626 31.700 0.226 0.000 0.858 244 F N 3.010 123.117 119.950 0.263 0.000 2.120 244 F HA -0.084 4.444 4.527 0.001 0.000 0.300 244 F C 0.984 176.987 175.800 0.339 0.000 1.095 244 F CA 1.168 59.382 58.000 0.356 0.000 1.249 244 F CB -0.104 39.071 39.000 0.292 0.000 0.995 244 F HN 0.360 nan 8.300 nan 0.000 0.480 245 W N 3.176 124.542 121.300 0.111 0.000 2.433 245 W HA 0.262 4.923 4.660 0.001 0.000 0.315 245 W C -2.161 174.285 176.519 -0.122 0.000 1.087 245 W CA -1.963 55.358 57.345 -0.040 0.000 1.205 245 W CB 1.358 30.842 29.460 0.039 0.000 1.288 245 W HN -0.111 nan 8.180 nan 0.000 0.504 246 P HA -0.049 nan 4.420 nan 0.000 0.257 246 P C 0.761 177.561 177.300 -0.833 0.000 1.241 246 P CA 0.630 62.819 63.100 -1.517 0.000 0.816 246 P CB 0.330 30.826 31.700 -2.005 0.000 1.150 247 Y N 0.150 120.126 120.300 -0.538 0.000 2.014 247 Y HA -0.217 4.333 4.550 0.001 0.000 0.272 247 Y C 2.246 177.768 175.900 -0.629 0.000 1.164 247 Y CA 1.831 59.583 58.100 -0.581 0.000 1.114 247 Y CB -1.769 36.279 38.460 -0.687 0.000 0.961 247 Y HN -0.140 nan 8.280 nan 0.000 0.489 248 F N -1.501 118.238 119.950 -0.351 0.000 2.416 248 F HA -0.062 4.466 4.527 0.001 0.000 0.296 248 F C 2.259 177.744 175.800 -0.524 0.000 1.099 248 F CA 0.151 57.834 58.000 -0.528 0.000 1.427 248 F CB -0.575 37.969 39.000 -0.759 0.000 1.079 248 F HN 0.018 nan 8.300 nan 0.000 0.536 249 I N -0.478 119.859 120.570 -0.389 0.000 2.208 249 I HA -0.285 3.886 4.170 0.001 0.000 0.245 249 I C 2.315 178.481 176.117 0.081 0.000 1.097 249 I CA 1.546 62.844 61.300 -0.002 0.000 1.363 249 I CB -0.671 37.556 38.000 0.379 0.000 1.051 249 I HN 0.083 nan 8.210 nan 0.000 0.413 250 I N 1.287 121.849 120.570 -0.012 0.000 2.202 250 I HA -0.277 3.894 4.170 0.001 0.000 0.242 250 I C 2.578 178.774 176.117 0.133 0.000 1.091 250 I CA 1.480 62.797 61.300 0.028 0.000 1.368 250 I CB -0.451 37.490 38.000 -0.098 0.000 1.058 250 I HN 0.240 nan 8.210 nan 0.000 0.410 251 K N -0.383 120.094 120.400 0.128 0.000 2.362 251 K HA -0.122 4.198 4.320 0.001 0.000 0.200 251 K C 1.314 178.077 176.600 0.273 0.000 1.046 251 K CA 1.349 57.814 56.287 0.296 0.000 0.952 251 K CB -0.306 32.316 32.500 0.204 0.000 0.753 251 K HN 0.210 nan 8.250 nan 0.000 0.466 252 D N 1.544 122.057 120.400 0.188 0.000 2.084 252 D HA -0.102 4.538 4.640 0.001 0.000 0.196 252 D C 2.125 178.508 176.300 0.139 0.000 0.985 252 D CA 1.240 55.335 54.000 0.159 0.000 0.826 252 D CB -0.166 40.743 40.800 0.182 0.000 0.978 252 D HN 0.059 nan 8.370 nan 0.000 0.456 253 V N 1.570 121.581 119.914 0.162 0.000 2.343 253 V HA -0.232 3.889 4.120 0.001 0.000 0.247 253 V C 2.238 178.445 176.094 0.188 0.000 1.051 253 V CA 1.245 63.633 62.300 0.146 0.000 1.036 253 V CB -0.637 31.276 31.823 0.151 0.000 0.654 253 V HN 0.088 nan 8.190 nan 0.000 0.451 254 F N 2.131 122.128 119.950 0.078 0.000 2.075 254 F HA -0.140 4.388 4.527 0.001 0.000 0.297 254 F C 2.314 178.148 175.800 0.057 0.000 1.113 254 F CA 1.365 59.409 58.000 0.073 0.000 1.218 254 F CB -1.091 37.981 39.000 0.121 0.000 0.984 254 F HN 0.085 nan 8.300 nan 0.000 0.472 255 A N 1.041 123.751 122.820 -0.185 0.000 1.883 255 A HA -0.175 4.146 4.320 0.001 0.000 0.217 255 A C 2.470 179.920 177.584 -0.224 0.000 1.186 255 A CA 1.927 53.761 52.037 -0.338 0.000 0.624 255 A CB -1.363 17.593 19.000 -0.074 0.000 0.822 255 A HN 0.522 nan 8.150 nan 0.000 0.444 256 L N -0.896 120.260 121.223 -0.112 0.000 2.079 256 L HA -0.235 4.106 4.340 0.001 0.000 0.210 256 L C 3.097 179.895 176.870 -0.120 0.000 1.081 256 L CA 1.073 55.826 54.840 -0.145 0.000 0.752 256 L CB -0.446 41.532 42.059 -0.136 0.000 0.896 256 L HN 0.473 nan 8.230 nan 0.000 0.433 257 A N -0.554 122.247 122.820 -0.030 0.000 1.902 257 A HA -0.151 4.170 4.320 0.001 0.000 0.217 257 A C 2.256 179.858 177.584 0.029 0.000 1.181 257 A CA 1.828 53.883 52.037 0.029 0.000 0.623 257 A CB -0.757 18.314 19.000 0.118 0.000 0.818 257 A HN 0.221 nan 8.150 nan 0.000 0.443 258 V N -0.429 119.464 119.914 -0.034 0.000 2.358 258 V HA -0.209 3.912 4.120 0.001 0.000 0.246 258 V C 2.538 178.629 176.094 -0.005 0.000 1.047 258 V CA 1.867 64.138 62.300 -0.047 0.000 1.035 258 V CB -0.947 30.747 31.823 -0.215 0.000 0.658 258 V HN 0.352 nan 8.190 nan 0.000 0.452 259 V N 0.009 119.900 119.914 -0.038 0.000 2.261 259 V HA -0.248 3.873 4.120 0.001 0.000 0.246 259 V C 2.362 178.534 176.094 0.129 0.000 1.047 259 V CA 1.984 64.308 62.300 0.040 0.000 1.015 259 V CB -0.585 31.232 31.823 -0.010 0.000 0.642 259 V HN 0.438 nan 8.190 nan 0.000 0.446 260 L N -0.505 120.773 121.223 0.092 0.000 2.191 260 L HA -0.181 4.160 4.340 0.001 0.000 0.212 260 L C 2.487 179.611 176.870 0.423 0.000 1.103 260 L CA 1.061 56.073 54.840 0.287 0.000 0.769 260 L CB -0.673 41.503 42.059 0.196 0.000 0.908 260 L HN 0.385 nan 8.230 nan 0.000 0.438 261 L N -0.066 121.306 121.223 0.248 0.000 1.994 261 L HA -0.146 4.195 4.340 0.001 0.000 0.208 261 L C 2.388 179.402 176.870 0.239 0.000 1.071 261 L CA 1.843 56.816 54.840 0.222 0.000 0.745 261 L CB -0.694 41.445 42.059 0.133 0.000 0.892 261 L HN -0.068 nan 8.230 nan 0.000 0.431 262 V N -0.408 119.631 119.914 0.208 0.000 2.307 262 V HA -0.276 3.844 4.120 0.001 0.000 0.245 262 V C 2.387 178.624 176.094 0.238 0.000 1.045 262 V CA 1.932 64.349 62.300 0.196 0.000 1.024 262 V CB -1.106 30.821 31.823 0.173 0.000 0.651 262 V HN 0.520 nan 8.190 nan 0.000 0.449 263 F N 0.804 120.820 119.950 0.110 0.000 2.091 263 F HA -0.211 4.317 4.527 0.001 0.000 0.299 263 F C 2.051 177.833 175.800 -0.029 0.000 1.103 263 F CA 1.570 59.592 58.000 0.036 0.000 1.228 263 F CB -0.643 38.352 39.000 -0.007 0.000 0.984 263 F HN 0.136 nan 8.300 nan 0.000 0.477 264 F N 0.269 120.170 119.950 -0.081 0.000 2.234 264 F HA -0.033 4.495 4.527 0.001 0.000 0.299 264 F C 2.523 178.239 175.800 -0.140 0.000 1.087 264 F CA 1.150 59.028 58.000 -0.204 0.000 1.340 264 F CB -1.144 37.829 39.000 -0.044 0.000 1.031 264 F HN 0.079 nan 8.300 nan 0.000 0.500 265 A N 0.247 123.170 122.820 0.172 0.000 1.933 265 A HA -0.140 4.181 4.320 0.001 0.000 0.218 265 A C 2.236 179.904 177.584 0.140 0.000 1.175 265 A CA 1.376 53.566 52.037 0.255 0.000 0.628 265 A CB -0.726 18.431 19.000 0.263 0.000 0.814 265 A HN 0.235 nan 8.150 nan 0.000 0.444 266 I N 0.018 120.602 120.570 0.024 0.000 2.142 266 I HA -0.176 3.994 4.170 0.001 0.000 0.240 266 I C 2.516 178.544 176.117 -0.148 0.000 1.078 266 I CA 1.320 62.608 61.300 -0.020 0.000 1.343 266 I CB -1.427 36.585 38.000 0.020 0.000 1.046 266 I HN 0.153 nan 8.210 nan 0.000 0.405 267 V N 1.301 121.012 119.914 -0.338 0.000 2.407 267 V HA -0.166 3.955 4.120 0.001 0.000 0.248 267 V C 2.655 178.579 176.094 -0.284 0.000 1.055 267 V CA 1.953 64.038 62.300 -0.358 0.000 1.049 267 V CB -1.490 29.998 31.823 -0.558 0.000 0.662 267 V HN 0.524 nan 8.190 nan 0.000 0.455 268 G N -0.736 107.854 108.800 -0.351 0.000 2.394 268 G HA2 -0.147 3.814 3.960 0.001 0.000 0.214 268 G HA3 -0.147 3.814 3.960 0.001 0.000 0.214 268 G C 1.307 175.729 174.900 -0.797 0.000 1.176 268 G CA 0.798 45.529 45.100 -0.615 0.000 0.786 268 G HN 0.509 nan 8.290 nan 0.000 0.533 269 F N -0.047 119.892 119.950 -0.017 0.000 2.559 269 F HA 0.379 4.907 4.527 0.001 0.000 0.286 269 F C 1.702 177.469 175.800 -0.055 0.000 1.108 269 F CA 0.104 58.087 58.000 -0.028 0.000 1.436 269 F CB 0.205 39.192 39.000 -0.021 0.000 1.130 269 F HN 0.069 nan 8.300 nan 0.000 0.584 270 M N 0.094 119.719 119.600 0.040 0.000 3.287 270 M HA 0.414 4.895 4.480 0.001 0.000 0.336 270 M C -2.378 173.904 176.300 -0.031 0.000 1.573 270 M CA -1.275 54.032 55.300 0.011 0.000 0.609 270 M CB 0.826 33.428 32.600 0.004 0.000 1.421 270 M HN -0.267 nan 8.290 nan 0.000 0.476 271 P HA -0.127 nan 4.420 nan 0.000 0.219 271 P C 0.198 177.385 177.300 -0.188 0.000 1.146 271 P CA 1.423 64.295 63.100 -0.381 0.000 0.808 271 P CB 0.053 31.100 31.700 -1.089 0.000 0.779 272 N N -1.883 116.792 118.700 -0.042 0.000 2.203 272 N HA -0.005 4.736 4.740 0.001 0.000 0.207 272 N C 1.311 176.938 175.510 0.195 0.000 1.130 272 N CA -0.248 52.889 53.050 0.145 0.000 0.861 272 N CB -0.402 38.230 38.487 0.241 0.000 1.005 272 N HN 0.134 nan 8.380 nan 0.000 0.507 273 Y N 1.729 122.054 120.300 0.041 0.000 2.089 273 Y HA 0.006 4.557 4.550 0.001 0.000 0.282 273 Y C 1.583 177.512 175.900 0.049 0.000 1.139 273 Y CA 1.396 59.517 58.100 0.035 0.000 1.123 273 Y CB -0.321 38.146 38.460 0.013 0.000 0.980 273 Y HN -0.040 nan 8.280 nan 0.000 0.493 274 L N 0.720 121.937 121.223 -0.010 0.000 2.693 274 L HA 0.149 4.489 4.340 0.001 0.000 0.242 274 L C 0.967 177.889 176.870 0.087 0.000 1.157 274 L CA 0.151 54.957 54.840 -0.057 0.000 0.929 274 L CB -1.149 40.980 42.059 0.117 0.000 1.103 274 L HN 0.271 nan 8.230 nan 0.000 0.430 275 G N -2.294 106.552 108.800 0.078 0.000 2.932 275 G HA2 0.324 4.284 3.960 0.001 0.000 0.283 275 G HA3 0.324 4.284 3.960 0.001 0.000 0.283 275 G C -1.510 173.467 174.900 0.128 0.000 1.336 275 G CA -0.350 44.837 45.100 0.144 0.000 1.056 275 G HN 0.031 nan 8.290 nan 0.000 0.522 276 H N 0.314 119.448 119.070 0.106 0.000 2.638 276 H HA 0.369 4.926 4.556 0.001 0.000 0.317 276 H C -1.719 173.688 175.328 0.132 0.000 1.006 276 H CA -1.913 54.198 56.048 0.105 0.000 1.222 276 H CB 2.349 32.181 29.762 0.116 0.000 1.419 276 H HN 0.078 nan 8.280 nan 0.000 0.489 277 P HA -0.159 nan 4.420 nan 0.000 0.217 277 P C 0.908 178.461 177.300 0.422 0.000 1.148 277 P CA 1.090 64.433 63.100 0.405 0.000 0.834 277 P CB 0.519 32.384 31.700 0.276 0.000 0.783 278 D N -1.552 119.138 120.400 0.483 0.000 2.264 278 D HA -0.107 4.533 4.640 0.001 0.000 0.208 278 D C 1.385 177.776 176.300 0.152 0.000 0.966 278 D CA 0.825 54.976 54.000 0.252 0.000 0.864 278 D CB -0.733 40.130 40.800 0.105 0.000 0.933 278 D HN 0.115 nan 8.370 nan 0.000 0.499 279 N N -0.383 118.381 118.700 0.107 0.000 2.515 279 N HA -0.097 4.644 4.740 0.001 0.000 0.191 279 N C 0.113 175.681 175.510 0.097 0.000 1.182 279 N CA 0.167 53.230 53.050 0.022 0.000 0.879 279 N CB -0.127 38.297 38.487 -0.105 0.000 0.984 279 N HN 0.161 nan 8.380 nan 0.000 0.453 280 Y N -0.462 120.008 120.300 0.284 0.000 2.524 280 Y HA 0.397 4.948 4.550 0.001 0.000 0.266 280 Y C 0.026 176.149 175.900 0.372 0.000 1.180 280 Y CA -0.332 57.984 58.100 0.360 0.000 1.244 280 Y CB 0.284 38.895 38.460 0.253 0.000 1.125 280 Y HN -0.059 nan 8.280 nan 0.000 0.524 281 I N 0.379 121.141 120.570 0.319 0.000 2.406 281 I HA 0.208 4.379 4.170 0.001 0.000 0.290 281 I C -0.219 175.770 176.117 -0.214 0.000 0.999 281 I CA -0.983 60.354 61.300 0.062 0.000 1.124 281 I CB 1.748 39.789 38.000 0.069 0.000 1.289 281 I HN -0.014 nan 8.210 nan 0.000 0.441 282 E N 4.234 124.087 120.200 -0.578 0.000 2.442 282 E HA 0.213 4.564 4.350 0.001 0.000 0.262 282 E C 0.163 176.526 176.600 -0.395 0.000 1.004 282 E CA -0.358 55.589 56.400 -0.754 0.000 0.928 282 E CB 0.575 29.865 29.700 -0.683 0.000 0.937 282 E HN 0.677 nan 8.360 nan 0.000 0.446 283 A N 3.789 126.356 122.820 -0.422 0.000 2.567 283 A HA -0.051 4.270 4.320 0.001 0.000 0.240 283 A C 0.135 177.394 177.584 -0.542 0.000 1.053 283 A CA 0.075 51.769 52.037 -0.571 0.000 0.755 283 A CB 0.013 18.379 19.000 -1.058 0.000 0.978 283 A HN 0.543 nan 8.150 nan 0.000 0.507 284 N N 3.437 121.860 118.700 -0.462 0.000 2.524 284 N HA 0.330 5.071 4.740 0.001 0.000 0.261 284 N C -2.182 173.100 175.510 -0.381 0.000 0.998 284 N CA -2.138 50.726 53.050 -0.310 0.000 0.915 284 N CB 1.976 40.419 38.487 -0.074 0.000 1.187 284 N HN 0.309 nan 8.380 nan 0.000 0.507 285 P HA 0.028 nan 4.420 nan 0.000 0.242 285 P C 0.558 177.959 177.300 0.169 0.000 1.197 285 P CA 0.539 63.333 63.100 -0.510 0.000 0.765 285 P CB 0.485 31.884 31.700 -0.503 0.000 0.936 286 L N -1.381 119.930 121.223 0.146 0.000 2.808 286 L HA 0.277 4.618 4.340 0.001 0.000 0.246 286 L C 0.748 177.699 176.870 0.136 0.000 1.153 286 L CA 0.075 55.008 54.840 0.155 0.000 0.956 286 L CB 0.317 42.410 42.059 0.058 0.000 1.270 286 L HN -0.013 nan 8.230 nan 0.000 0.528 287 S N -0.423 115.403 115.700 0.209 0.000 2.543 287 S HA 0.440 4.911 4.470 0.001 0.000 0.273 287 S C -0.685 173.857 174.600 -0.098 0.000 1.152 287 S CA -0.352 57.857 58.200 0.014 0.000 0.910 287 S CB 1.979 65.183 63.200 0.006 0.000 1.105 287 S HN -0.004 nan 8.310 nan 0.000 0.465 288 T N 5.452 119.713 114.554 -0.488 0.000 2.758 288 T HA 0.536 4.887 4.350 0.001 0.000 0.285 288 T C -2.725 171.766 174.700 -0.349 0.000 0.981 288 T CA -0.983 60.629 62.100 -0.814 0.000 0.965 288 T CB 1.116 69.290 68.868 -1.158 0.000 0.927 288 T HN 0.490 nan 8.240 nan 0.000 0.448 289 P HA 0.095 nan 4.420 nan 0.000 0.260 289 P C 0.683 177.887 177.300 -0.160 0.000 1.172 289 P CA -0.059 62.981 63.100 -0.100 0.000 0.760 289 P CB 0.372 32.070 31.700 -0.004 0.000 0.773 290 A N 3.819 126.495 122.820 -0.239 0.000 2.032 290 A HA -0.215 4.105 4.320 0.001 0.000 0.221 290 A C 1.146 178.500 177.584 -0.382 0.000 1.165 290 A CA 1.505 53.323 52.037 -0.366 0.000 0.645 290 A CB -0.865 17.820 19.000 -0.524 0.000 0.807 290 A HN 0.627 nan 8.150 nan 0.000 0.453 291 H N -1.432 117.665 119.070 0.044 0.000 2.488 291 H HA 0.307 4.864 4.556 0.001 0.000 0.294 291 H C 0.344 175.772 175.328 0.167 0.000 1.088 291 H CA -0.863 55.238 56.048 0.087 0.000 1.086 291 H CB -0.616 29.206 29.762 0.100 0.000 1.569 291 H HN 0.539 nan 8.280 nan 0.000 0.548 292 I N 1.642 122.284 120.570 0.121 0.000 2.993 292 I HA -0.063 4.108 4.170 0.001 0.000 0.301 292 I C -0.567 175.610 176.117 0.100 0.000 1.229 292 I CA 0.641 61.968 61.300 0.045 0.000 1.435 292 I CB 0.324 38.310 38.000 -0.023 0.000 1.328 292 I HN -0.159 nan 8.210 nan 0.000 0.584 293 V N 6.771 126.721 119.914 0.060 0.000 2.823 293 V HA 0.262 4.383 4.120 0.001 0.000 0.296 293 V C -2.242 173.772 176.094 -0.133 0.000 1.250 293 V CA -1.034 61.248 62.300 -0.031 0.000 0.939 293 V CB 1.568 33.437 31.823 0.078 0.000 1.062 293 V HN 0.718 nan 8.190 nan 0.000 0.433 294 P HA 0.155 nan 4.420 nan 0.000 0.271 294 P C -0.482 176.625 177.300 -0.322 0.000 1.233 294 P CA -0.220 62.668 63.100 -0.354 0.000 0.795 294 P CB 0.476 31.860 31.700 -0.525 0.000 0.936 295 E N 0.732 120.638 120.200 -0.490 0.000 2.360 295 E HA -0.032 4.319 4.350 0.001 0.000 0.269 295 E C 1.137 177.241 176.600 -0.826 0.000 1.022 295 E CA -0.132 55.761 56.400 -0.845 0.000 0.887 295 E CB -0.129 28.627 29.700 -1.573 0.000 0.990 295 E HN 0.539 nan 8.360 nan 0.000 0.426 296 W N 4.464 125.431 121.300 -0.555 0.000 2.290 296 W HA -0.371 4.290 4.660 0.001 0.000 0.311 296 W C 0.985 177.359 176.519 -0.242 0.000 1.238 296 W CA 1.549 58.699 57.345 -0.324 0.000 1.255 296 W CB -1.089 28.256 29.460 -0.191 0.000 1.145 296 W HN 0.759 nan 8.180 nan 0.000 0.506 297 Y N -2.325 117.020 120.300 -1.592 0.000 2.639 297 Y HA 0.046 4.597 4.550 0.001 0.000 0.297 297 Y C 1.705 177.333 175.900 -0.454 0.000 1.151 297 Y CA 0.338 57.652 58.100 -1.309 0.000 1.335 297 Y CB -1.810 35.482 38.460 -1.947 0.000 0.994 297 Y HN -0.190 nan 8.280 nan 0.000 0.548 298 F N -0.273 119.392 119.950 -0.476 0.000 2.717 298 F HA 0.228 4.756 4.527 0.001 0.000 0.295 298 F C 1.840 177.570 175.800 -0.117 0.000 1.117 298 F CA -0.909 56.961 58.000 -0.216 0.000 1.361 298 F CB -0.575 38.230 39.000 -0.325 0.000 1.112 298 F HN 0.115 nan 8.300 nan 0.000 0.594 299 L N 1.470 122.693 121.223 -0.000 0.000 1.990 299 L HA -0.217 4.123 4.340 0.001 0.000 0.213 299 L C -0.017 176.814 176.870 -0.065 0.000 1.072 299 L CA 1.901 56.737 54.840 -0.005 0.000 0.755 299 L CB -2.081 39.952 42.059 -0.044 0.000 0.889 299 L HN 0.019 nan 8.230 nan 0.000 0.432 300 P HA -0.235 nan 4.420 nan 0.000 0.215 300 P C 1.543 178.501 177.300 -0.571 0.000 1.157 300 P CA 1.942 64.684 63.100 -0.598 0.000 0.874 300 P CB -0.172 30.828 31.700 -1.167 0.000 0.790 301 F N -1.815 118.012 119.950 -0.205 0.000 2.325 301 F HA -0.066 4.462 4.527 0.001 0.000 0.299 301 F C 2.725 178.439 175.800 -0.144 0.000 1.090 301 F CA 0.712 58.586 58.000 -0.211 0.000 1.392 301 F CB -1.486 37.381 39.000 -0.221 0.000 1.053 301 F HN -0.103 nan 8.300 nan 0.000 0.521 302 Y N 0.861 121.114 120.300 -0.078 0.000 2.314 302 Y HA -0.028 4.523 4.550 0.001 0.000 0.293 302 Y C 2.211 178.044 175.900 -0.112 0.000 1.129 302 Y CA 0.771 58.809 58.100 -0.103 0.000 1.201 302 Y CB -0.563 37.837 38.460 -0.099 0.000 0.999 302 Y HN -0.030 nan 8.280 nan 0.000 0.541 303 A N 0.870 123.570 122.820 -0.200 0.000 1.873 303 A HA -0.138 4.183 4.320 0.001 0.000 0.215 303 A C 2.290 179.713 177.584 -0.270 0.000 1.186 303 A CA 1.907 53.760 52.037 -0.307 0.000 0.616 303 A CB -1.099 17.767 19.000 -0.224 0.000 0.823 303 A HN 0.561 nan 8.150 nan 0.000 0.442 304 I N -0.573 119.888 120.570 -0.183 0.000 2.286 304 I HA -0.247 3.923 4.170 0.001 0.000 0.248 304 I C 2.517 178.679 176.117 0.075 0.000 1.115 304 I CA 1.390 62.666 61.300 -0.039 0.000 1.392 304 I CB -0.246 37.766 38.000 0.020 0.000 1.065 304 I HN 0.460 nan 8.210 nan 0.000 0.418 305 L N 1.613 122.832 121.223 -0.007 0.000 2.005 305 L HA -0.196 4.145 4.340 0.001 0.000 0.207 305 L C 2.689 179.551 176.870 -0.013 0.000 1.072 305 L CA 1.574 56.439 54.840 0.041 0.000 0.744 305 L CB -0.272 41.765 42.059 -0.038 0.000 0.895 305 L HN 0.214 nan 8.230 nan 0.000 0.433 306 R N -0.374 119.985 120.500 -0.235 0.000 2.319 306 R HA 0.165 4.506 4.340 0.001 0.000 0.204 306 R C 1.561 177.706 176.300 -0.259 0.000 0.954 306 R CA 0.689 56.641 56.100 -0.247 0.000 1.066 306 R CB -0.336 29.723 30.300 -0.401 0.000 0.991 306 R HN 0.333 nan 8.270 nan 0.000 0.486 307 A N 1.020 123.636 122.820 -0.341 0.000 2.016 307 A HA 0.098 4.419 4.320 0.001 0.000 0.217 307 A C 0.163 177.364 177.584 -0.639 0.000 1.162 307 A CA 0.215 51.934 52.037 -0.530 0.000 0.662 307 A CB -0.161 18.409 19.000 -0.716 0.000 0.812 307 A HN 0.297 nan 8.150 nan 0.000 0.450 308 F N 2.111 121.989 119.950 -0.120 0.000 2.451 308 F HA 0.294 4.822 4.527 0.001 0.000 0.356 308 F C 1.139 176.842 175.800 -0.161 0.000 1.178 308 F CA -0.222 57.679 58.000 -0.164 0.000 1.210 308 F CB -0.056 38.895 39.000 -0.080 0.000 1.504 308 F HN 0.087 nan 8.300 nan 0.000 0.598 309 T N -1.718 112.792 114.554 -0.073 0.000 2.884 309 T HA 0.602 4.953 4.350 0.001 0.000 0.277 309 T C 1.443 176.100 174.700 -0.072 0.000 0.976 309 T CA -0.306 61.756 62.100 -0.063 0.000 0.956 309 T CB 1.406 70.224 68.868 -0.084 0.000 1.113 309 T HN 0.358 nan 8.240 nan 0.000 0.554 310 A N 0.982 123.773 122.820 -0.048 0.000 1.902 310 A HA -0.099 4.222 4.320 0.001 0.000 0.217 310 A C 1.929 179.482 177.584 -0.051 0.000 1.181 310 A CA 1.677 53.688 52.037 -0.043 0.000 0.623 310 A CB -1.128 17.863 19.000 -0.015 0.000 0.818 310 A HN 0.972 nan 8.150 nan 0.000 0.443 311 D N -0.180 120.190 120.400 -0.050 0.000 2.378 311 D HA 0.010 4.650 4.640 0.001 0.000 0.227 311 D C 0.027 176.298 176.300 -0.049 0.000 1.012 311 D CA 0.238 54.216 54.000 -0.037 0.000 0.905 311 D CB -0.362 40.419 40.800 -0.032 0.000 0.895 311 D HN 0.190 nan 8.370 nan 0.000 0.532 312 V N 3.264 123.113 119.914 -0.108 0.000 2.432 312 V HA -0.036 4.085 4.120 0.001 0.000 0.271 312 V C 1.516 177.529 176.094 -0.136 0.000 1.046 312 V CA -0.987 61.217 62.300 -0.160 0.000 0.945 312 V CB 0.753 32.433 31.823 -0.239 0.000 0.992 312 V HN 0.310 nan 8.190 nan 0.000 0.471 313 W N 4.745 125.971 121.300 -0.122 0.000 2.338 313 W HA -0.124 4.536 4.660 0.001 0.000 0.304 313 W C 1.177 177.626 176.519 -0.117 0.000 1.212 313 W CA 1.440 58.724 57.345 -0.103 0.000 1.264 313 W CB -1.205 28.213 29.460 -0.070 0.000 1.142 313 W HN 0.420 nan 8.180 nan 0.000 0.512 314 V N 1.784 121.202 119.914 -0.826 0.000 2.594 314 V HA -0.293 3.828 4.120 0.001 0.000 0.253 314 V C 2.554 178.359 176.094 -0.481 0.000 1.069 314 V CA 1.854 63.757 62.300 -0.662 0.000 1.082 314 V CB -1.124 30.238 31.823 -0.769 0.000 0.680 314 V HN 0.094 nan 8.190 nan 0.000 0.469 315 V N -0.590 118.966 119.914 -0.596 0.000 2.323 315 V HA -0.254 3.867 4.120 0.001 0.000 0.244 315 V C 2.424 178.379 176.094 -0.232 0.000 1.041 315 V CA 1.761 63.682 62.300 -0.632 0.000 1.025 315 V CB -0.659 30.823 31.823 -0.567 0.000 0.656 315 V HN 0.508 nan 8.190 nan 0.000 0.451 316 Q N -0.306 119.414 119.800 -0.133 0.000 2.096 316 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 316 Q C 2.244 178.251 176.000 0.012 0.000 0.982 316 Q CA 2.024 57.814 55.803 -0.023 0.000 0.850 316 Q CB -0.264 28.485 28.738 0.018 0.000 0.901 316 Q HN 0.579 nan 8.270 nan 0.000 0.422 317 I N 0.346 120.920 120.570 0.007 0.000 2.090 317 I HA -0.321 3.849 4.170 0.001 0.000 0.236 317 I C 2.454 178.617 176.117 0.076 0.000 1.064 317 I CA 1.046 62.364 61.300 0.030 0.000 1.324 317 I CB -0.572 37.466 38.000 0.064 0.000 1.044 317 I HN 0.210 nan 8.210 nan 0.000 0.399 318 A N 0.970 123.814 122.820 0.040 0.000 1.927 318 A HA -0.342 3.979 4.320 0.001 0.000 0.220 318 A C 2.056 179.696 177.584 0.093 0.000 1.185 318 A CA 2.622 54.709 52.037 0.083 0.000 0.639 318 A CB -1.062 18.035 19.000 0.162 0.000 0.820 318 A HN 0.570 nan 8.150 nan 0.000 0.451 319 N N -0.780 117.968 118.700 0.080 0.000 2.043 319 N HA -0.198 4.543 4.740 0.001 0.000 0.193 319 N C 1.500 177.069 175.510 0.097 0.000 1.037 319 N CA 2.186 55.291 53.050 0.091 0.000 0.851 319 N CB -0.608 37.922 38.487 0.072 0.000 1.027 319 N HN 0.464 nan 8.380 nan 0.000 0.422 320 F N 1.518 121.428 119.950 -0.068 0.000 2.084 320 F HA 0.036 4.564 4.527 0.001 0.000 0.296 320 F C 2.173 177.806 175.800 -0.279 0.000 1.111 320 F CA 1.116 59.038 58.000 -0.130 0.000 1.224 320 F CB -0.749 38.202 39.000 -0.082 0.000 0.991 320 F HN 0.144 nan 8.300 nan 0.000 0.471 321 I N 0.482 121.173 120.570 0.202 0.000 3.102 321 I HA -0.156 4.014 4.170 0.001 0.000 0.278 321 I C 0.773 176.749 176.117 -0.235 0.000 1.316 321 I CA 1.631 62.919 61.300 -0.021 0.000 1.425 321 I CB -0.539 37.528 38.000 0.112 0.000 1.073 321 I HN 0.447 nan 8.210 nan 0.000 0.503 322 S N -1.512 114.041 115.700 -0.245 0.000 3.009 322 S HA 0.222 4.692 4.470 0.001 0.000 0.254 322 S C 0.411 174.991 174.600 -0.033 0.000 1.004 322 S CA -0.551 57.579 58.200 -0.117 0.000 1.119 322 S CB -0.384 62.833 63.200 0.028 0.000 1.075 322 S HN 0.329 nan 8.310 nan 0.000 0.618 323 F N 1.888 121.798 119.950 -0.066 0.000 3.074 323 F HA -0.095 4.433 4.527 0.001 0.000 0.287 323 F C 1.499 177.284 175.800 -0.026 0.000 0.932 323 F CA 0.811 58.763 58.000 -0.079 0.000 0.995 323 F CB -1.942 37.009 39.000 -0.081 0.000 0.966 323 F HN 0.739 nan 8.300 nan 0.000 0.721 324 G N -0.935 107.925 108.800 0.099 0.000 2.168 324 G HA2 -0.371 3.590 3.960 0.001 0.000 0.263 324 G HA3 -0.371 3.590 3.960 0.001 0.000 0.263 324 G C 1.136 176.095 174.900 0.098 0.000 0.977 324 G CA 0.402 45.561 45.100 0.098 0.000 0.659 324 G HN 0.575 nan 8.290 nan 0.000 0.533 325 I N 0.369 121.005 120.570 0.110 0.000 2.141 325 I HA 0.076 4.246 4.170 0.001 0.000 0.236 325 I C 1.724 177.932 176.117 0.153 0.000 1.071 325 I CA 0.983 62.337 61.300 0.091 0.000 1.345 325 I CB -0.128 37.926 38.000 0.090 0.000 1.066 325 I HN 0.134 nan 8.210 nan 0.000 0.406 326 I N 3.059 123.754 120.570 0.209 0.000 2.352 326 I HA -0.037 4.134 4.170 0.001 0.000 0.303 326 I C -0.094 176.164 176.117 0.235 0.000 1.194 326 I CA -0.445 61.042 61.300 0.313 0.000 1.518 326 I CB -0.902 37.239 38.000 0.235 0.000 1.489 326 I HN 0.302 nan 8.210 nan 0.000 0.702 327 D N 4.344 124.878 120.400 0.224 0.000 2.478 327 D HA 0.225 4.866 4.640 0.001 0.000 0.274 327 D C 1.229 177.625 176.300 0.160 0.000 1.234 327 D CA -0.506 53.584 54.000 0.149 0.000 1.069 327 D CB 0.780 41.648 40.800 0.114 0.000 1.113 327 D HN 0.252 nan 8.370 nan 0.000 0.571 328 A N -0.142 122.730 122.820 0.088 0.000 1.865 328 A HA -0.253 4.067 4.320 0.001 0.000 0.217 328 A C 2.047 179.718 177.584 0.145 0.000 1.191 328 A CA 2.728 54.808 52.037 0.071 0.000 0.623 328 A CB -0.978 18.037 19.000 0.025 0.000 0.826 328 A HN 0.738 nan 8.150 nan 0.000 0.444 329 K N -1.493 118.988 120.400 0.135 0.000 2.015 329 K HA -0.251 4.069 4.320 0.001 0.000 0.220 329 K C 1.768 178.497 176.600 0.214 0.000 1.055 329 K CA 2.313 58.689 56.287 0.150 0.000 0.951 329 K CB -0.503 32.075 32.500 0.130 0.000 0.725 329 K HN 0.345 nan 8.250 nan 0.000 0.449 330 F N 0.521 120.508 119.950 0.061 0.000 2.293 330 F HA -0.051 4.477 4.527 0.001 0.000 0.300 330 F C 1.759 177.579 175.800 0.033 0.000 1.086 330 F CA 0.661 58.681 58.000 0.033 0.000 1.375 330 F CB -0.419 38.591 39.000 0.016 0.000 1.045 330 F HN 0.152 nan 8.300 nan 0.000 0.516 331 F N 0.562 120.418 119.950 -0.155 0.000 2.146 331 F HA 0.065 4.593 4.527 0.001 0.000 0.298 331 F C 2.443 178.042 175.800 -0.336 0.000 1.096 331 F CA 1.680 59.473 58.000 -0.345 0.000 1.275 331 F CB -1.052 37.783 39.000 -0.275 0.000 1.008 331 F HN -0.043 nan 8.300 nan 0.000 0.480 332 G N -0.015 108.891 108.800 0.176 0.000 2.440 332 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 332 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 332 G C 1.805 176.722 174.900 0.028 0.000 1.154 332 G CA 1.267 46.475 45.100 0.180 0.000 0.767 332 G HN 0.327 nan 8.290 nan 0.000 0.552 333 V N 0.911 120.820 119.914 -0.009 0.000 2.255 333 V HA -0.158 3.963 4.120 0.001 0.000 0.247 333 V C 2.941 179.013 176.094 -0.036 0.000 1.051 333 V CA 1.716 64.026 62.300 0.017 0.000 1.018 333 V CB -0.463 31.414 31.823 0.091 0.000 0.641 333 V HN 0.354 nan 8.190 nan 0.000 0.445 334 L N -0.150 120.866 121.223 -0.346 0.000 2.131 334 L HA -0.145 4.196 4.340 0.001 0.000 0.210 334 L C 2.642 179.337 176.870 -0.291 0.000 1.092 334 L CA 1.371 55.958 54.840 -0.422 0.000 0.759 334 L CB -0.727 40.842 42.059 -0.817 0.000 0.903 334 L HN 0.361 nan 8.230 nan 0.000 0.435 335 A N -0.290 122.326 122.820 -0.340 0.000 1.873 335 A HA -0.260 4.061 4.320 0.001 0.000 0.215 335 A C 2.339 180.045 177.584 0.203 0.000 1.186 335 A CA 1.828 53.781 52.037 -0.140 0.000 0.616 335 A CB -0.495 18.408 19.000 -0.162 0.000 0.823 335 A HN 0.384 nan 8.150 nan 0.000 0.442 336 M N -1.602 118.047 119.600 0.082 0.000 2.065 336 M HA -0.149 4.331 4.480 0.001 0.000 0.259 336 M C 1.859 178.111 176.300 -0.081 0.000 1.071 336 M CA 2.083 57.383 55.300 0.001 0.000 1.109 336 M CB -0.260 32.227 32.600 -0.189 0.000 1.313 336 M HN 0.372 nan 8.290 nan 0.000 0.408 337 F N -0.071 119.863 119.950 -0.027 0.000 2.293 337 F HA 0.012 4.539 4.527 0.001 0.000 0.300 337 F C 2.428 178.247 175.800 0.031 0.000 1.086 337 F CA 1.359 59.328 58.000 -0.052 0.000 1.375 337 F CB -1.107 37.829 39.000 -0.107 0.000 1.045 337 F HN 0.281 nan 8.300 nan 0.000 0.516 338 G N -0.438 108.506 108.800 0.240 0.000 2.408 338 G HA2 -0.162 3.798 3.960 0.001 0.000 0.217 338 G HA3 -0.162 3.798 3.960 0.001 0.000 0.217 338 G C 1.930 177.080 174.900 0.416 0.000 1.150 338 G CA 0.722 46.001 45.100 0.298 0.000 0.776 338 G HN 0.417 nan 8.290 nan 0.000 0.542 339 A N 0.786 123.831 122.820 0.375 0.000 1.908 339 A HA 0.002 4.322 4.320 0.001 0.000 0.218 339 A C 2.391 180.191 177.584 0.360 0.000 1.181 339 A CA 1.383 53.517 52.037 0.161 0.000 0.627 339 A CB -0.334 18.621 19.000 -0.075 0.000 0.818 339 A HN 0.395 nan 8.150 nan 0.000 0.445 340 I N -0.983 119.744 120.570 0.262 0.000 2.233 340 I HA -0.184 3.987 4.170 0.001 0.000 0.243 340 I C 2.446 178.650 176.117 0.144 0.000 1.093 340 I CA 1.241 62.663 61.300 0.202 0.000 1.380 340 I CB -0.339 37.670 38.000 0.015 0.000 1.067 340 I HN 0.433 nan 8.210 nan 0.000 0.413 341 L N 0.492 121.799 121.223 0.141 0.000 2.042 341 L HA -0.177 4.164 4.340 0.001 0.000 0.210 341 L C 2.403 179.310 176.870 0.061 0.000 1.076 341 L CA 1.693 56.597 54.840 0.108 0.000 0.749 341 L CB -0.521 41.604 42.059 0.110 0.000 0.893 341 L HN -0.025 nan 8.230 nan 0.000 0.432 342 V N -0.128 119.815 119.914 0.048 0.000 2.287 342 V HA -0.379 3.741 4.120 0.001 0.000 0.248 342 V C 2.657 178.512 176.094 -0.398 0.000 1.053 342 V CA 2.421 64.677 62.300 -0.073 0.000 1.027 342 V CB -0.324 31.506 31.823 0.011 0.000 0.646 342 V HN 0.702 nan 8.190 nan 0.000 0.447 343 M N -0.362 118.909 119.600 -0.549 0.000 2.149 343 M HA -0.172 4.308 4.480 0.001 0.000 0.261 343 M C 1.986 178.247 176.300 -0.064 0.000 1.064 343 M CA 2.279 57.158 55.300 -0.701 0.000 1.102 343 M CB -0.285 32.171 32.600 -0.240 0.000 1.369 343 M HN 0.343 nan 8.290 nan 0.000 0.408 344 A N 0.040 122.925 122.820 0.109 0.000 2.067 344 A HA -0.047 4.274 4.320 0.001 0.000 0.219 344 A C 1.862 179.684 177.584 0.397 0.000 1.158 344 A CA 1.082 53.325 52.037 0.345 0.000 0.661 344 A CB -0.745 18.374 19.000 0.199 0.000 0.801 344 A HN 0.605 nan 8.150 nan 0.000 0.452 345 L N -0.959 120.388 121.223 0.208 0.000 2.558 345 L HA 0.014 4.355 4.340 0.001 0.000 0.225 345 L C 2.206 179.191 176.870 0.192 0.000 1.128 345 L CA 0.127 55.154 54.840 0.311 0.000 0.868 345 L CB -0.107 42.060 42.059 0.181 0.000 1.006 345 L HN 0.266 nan 8.230 nan 0.000 0.454 346 V N 1.920 121.776 119.914 -0.096 0.000 2.428 346 V HA -0.222 3.898 4.120 0.001 0.000 0.255 346 V C -0.364 175.427 176.094 -0.505 0.000 1.080 346 V CA 2.105 64.212 62.300 -0.322 0.000 1.083 346 V CB -0.622 30.832 31.823 -0.615 0.000 0.665 346 V HN 0.310 nan 8.190 nan 0.000 0.461 347 P HA -0.128 nan 4.420 nan 0.000 0.219 347 P C 1.241 178.132 177.300 -0.682 0.000 1.146 347 P CA 1.739 64.398 63.100 -0.734 0.000 0.808 347 P CB -0.127 30.838 31.700 -1.226 0.000 0.779 348 W N -1.745 119.516 121.300 -0.065 0.000 2.762 348 W HA 0.257 4.917 4.660 0.001 0.000 0.265 348 W C 1.705 178.201 176.519 -0.038 0.000 1.263 348 W CA 0.258 57.583 57.345 -0.032 0.000 1.411 348 W CB -0.594 28.856 29.460 -0.017 0.000 1.065 348 W HN -0.066 nan 8.180 nan 0.000 0.609 349 L N -0.032 121.261 121.223 0.118 0.000 2.240 349 L HA -0.010 4.330 4.340 0.001 0.000 0.211 349 L C 0.894 177.753 176.870 -0.018 0.000 1.106 349 L CA 0.865 55.738 54.840 0.054 0.000 0.793 349 L CB -0.559 41.537 42.059 0.062 0.000 0.927 349 L HN -0.272 nan 8.230 nan 0.000 0.446 350 D N 0.732 121.100 120.400 -0.053 0.000 2.336 350 D HA 0.008 4.649 4.640 0.001 0.000 0.249 350 D C 1.005 177.275 176.300 -0.050 0.000 1.213 350 D CA 0.119 54.086 54.000 -0.055 0.000 0.870 350 D CB 1.421 42.223 40.800 0.003 0.000 1.076 350 D HN 0.102 nan 8.370 nan 0.000 0.483 351 T N 0.076 114.600 114.554 -0.049 0.000 3.060 351 T HA 0.056 4.407 4.350 0.001 0.000 0.249 351 T C 1.088 175.756 174.700 -0.054 0.000 1.079 351 T CA -0.417 61.658 62.100 -0.041 0.000 1.013 351 T CB 0.140 68.992 68.868 -0.026 0.000 0.975 351 T HN 0.199 nan 8.240 nan 0.000 0.518 352 S N 3.191 118.846 115.700 -0.074 0.000 2.562 352 S HA 0.237 4.708 4.470 0.001 0.000 0.281 352 S C -1.213 173.326 174.600 -0.101 0.000 1.333 352 S CA -1.226 56.920 58.200 -0.089 0.000 1.052 352 S CB 1.012 64.135 63.200 -0.128 0.000 0.884 352 S HN 0.216 nan 8.310 nan 0.000 0.506 353 P HA 0.123 nan 4.420 nan 0.000 0.251 353 P C -0.176 177.066 177.300 -0.096 0.000 1.223 353 P CA 0.089 63.140 63.100 -0.082 0.000 0.796 353 P CB 0.051 31.718 31.700 -0.056 0.000 1.068 354 V N 2.085 121.933 119.914 -0.110 0.000 2.508 354 V HA 0.134 4.254 4.120 0.001 0.000 0.281 354 V C 2.183 178.172 176.094 -0.175 0.000 1.041 354 V CA 0.045 62.281 62.300 -0.108 0.000 1.016 354 V CB 0.788 32.557 31.823 -0.090 0.000 0.984 354 V HN -0.017 nan 8.190 nan 0.000 0.478 355 R N 3.605 124.023 120.500 -0.137 0.000 2.060 355 R HA -0.034 4.306 4.340 0.001 0.000 0.225 355 R C 1.421 177.566 176.300 -0.258 0.000 1.155 355 R CA 1.406 57.390 56.100 -0.193 0.000 0.930 355 R CB -0.207 30.029 30.300 -0.106 0.000 0.829 355 R HN 0.694 nan 8.270 nan 0.000 0.433 356 S N -0.521 115.102 115.700 -0.128 0.000 2.510 356 S HA 0.162 4.633 4.470 0.001 0.000 0.279 356 S C 1.036 175.356 174.600 -0.468 0.000 1.284 356 S CA -0.190 57.885 58.200 -0.208 0.000 1.059 356 S CB 1.351 64.531 63.200 -0.033 0.000 0.901 356 S HN 0.513 nan 8.310 nan 0.000 0.491 357 G N 4.244 112.562 108.800 -0.803 0.000 2.708 357 G HA2 -0.131 3.830 3.960 0.001 0.000 0.210 357 G HA3 -0.131 3.830 3.960 0.001 0.000 0.210 357 G C 1.329 175.800 174.900 -0.715 0.000 1.141 357 G CA 0.265 44.793 45.100 -0.954 0.000 0.788 357 G HN 0.805 nan 8.290 nan 0.000 0.531 358 R N -0.488 119.603 120.500 -0.682 0.000 2.096 358 R HA -0.084 4.257 4.340 0.001 0.000 0.235 358 R C 0.753 176.756 176.300 -0.496 0.000 1.127 358 R CA 0.985 56.782 56.100 -0.506 0.000 0.968 358 R CB -0.190 29.692 30.300 -0.697 0.000 0.861 358 R HN 0.431 nan 8.270 nan 0.000 0.440 359 Y N 0.148 120.418 120.300 -0.049 0.000 2.683 359 Y HA 0.360 4.911 4.550 0.001 0.000 0.297 359 Y C -0.317 175.558 175.900 -0.041 0.000 1.147 359 Y CA -0.324 57.761 58.100 -0.026 0.000 1.274 359 Y CB 0.324 38.765 38.460 -0.032 0.000 1.143 359 Y HN -0.189 nan 8.280 nan 0.000 0.527 360 R N 0.390 120.898 120.500 0.014 0.000 2.407 360 R HA 0.260 4.600 4.340 0.001 0.000 0.298 360 R C -2.364 174.019 176.300 0.139 0.000 1.166 360 R CA -1.576 54.555 56.100 0.052 0.000 1.006 360 R CB 1.198 31.468 30.300 -0.050 0.000 1.145 360 R HN 0.037 nan 8.270 nan 0.000 0.538 361 P HA -0.158 nan 4.420 nan 0.000 0.214 361 P C 1.066 178.447 177.300 0.135 0.000 1.163 361 P CA 1.526 64.700 63.100 0.125 0.000 0.883 361 P CB 0.255 32.015 31.700 0.099 0.000 0.788 362 M N -2.802 116.892 119.600 0.156 0.000 2.099 362 M HA -0.109 4.372 4.480 0.001 0.000 0.262 362 M C 2.057 178.497 176.300 0.234 0.000 1.067 362 M CA 1.538 56.943 55.300 0.175 0.000 1.124 362 M CB -0.842 31.903 32.600 0.242 0.000 1.353 362 M HN -0.151 nan 8.290 nan 0.000 0.410 363 F N 1.666 121.702 119.950 0.143 0.000 2.063 363 F HA -0.356 4.172 4.527 0.001 0.000 0.298 363 F C 2.152 178.055 175.800 0.172 0.000 1.105 363 F CA 2.000 60.093 58.000 0.155 0.000 1.215 363 F CB -0.355 38.643 39.000 -0.004 0.000 0.972 363 F HN -0.022 nan 8.300 nan 0.000 0.483 364 K N 0.004 120.484 120.400 0.132 0.000 2.052 364 K HA -0.254 4.066 4.320 0.001 0.000 0.215 364 K C 2.023 178.717 176.600 0.158 0.000 1.053 364 K CA 2.038 58.416 56.287 0.152 0.000 0.934 364 K CB -0.556 32.129 32.500 0.308 0.000 0.717 364 K HN 0.295 nan 8.250 nan 0.000 0.450 365 I N 0.405 120.989 120.570 0.022 0.000 2.151 365 I HA -0.284 3.887 4.170 0.001 0.000 0.243 365 I C 2.312 178.320 176.117 -0.182 0.000 1.080 365 I CA 1.787 63.019 61.300 -0.114 0.000 1.339 365 I CB -1.176 36.596 38.000 -0.379 0.000 1.039 365 I HN 0.153 nan 8.210 nan 0.000 0.409 366 Y N -0.170 120.181 120.300 0.085 0.000 2.242 366 Y HA -0.244 4.307 4.550 0.001 0.000 0.291 366 Y C 2.487 178.412 175.900 0.043 0.000 1.137 366 Y CA 1.121 59.317 58.100 0.161 0.000 1.181 366 Y CB -1.151 37.410 38.460 0.169 0.000 0.989 366 Y HN 0.074 nan 8.280 nan 0.000 0.527 367 F N -0.943 118.866 119.950 -0.234 0.000 2.075 367 F HA -0.250 4.277 4.527 0.001 0.000 0.297 367 F C 1.763 177.319 175.800 -0.407 0.000 1.113 367 F CA 1.567 59.270 58.000 -0.495 0.000 1.218 367 F CB -0.716 37.817 39.000 -0.778 0.000 0.984 367 F HN 0.018 nan 8.300 nan 0.000 0.472 368 W N 0.478 121.792 121.300 0.022 0.000 2.392 368 W HA -0.120 4.541 4.660 0.001 0.000 0.279 368 W C 2.257 178.659 176.519 -0.194 0.000 1.225 368 W CA 0.799 58.097 57.345 -0.079 0.000 1.233 368 W CB -0.490 28.997 29.460 0.044 0.000 1.122 368 W HN 0.065 nan 8.180 nan 0.000 0.561 369 L N -0.665 120.549 121.223 -0.016 0.000 2.093 369 L HA -0.213 4.127 4.340 0.001 0.000 0.208 369 L C 2.388 179.156 176.870 -0.170 0.000 1.085 369 L CA 0.668 55.410 54.840 -0.164 0.000 0.755 369 L CB -0.851 41.023 42.059 -0.309 0.000 0.904 369 L HN 0.033 nan 8.230 nan 0.000 0.435 370 L N 0.043 121.171 121.223 -0.159 0.000 1.994 370 L HA -0.183 4.158 4.340 0.001 0.000 0.208 370 L C 2.652 179.463 176.870 -0.099 0.000 1.071 370 L CA 2.126 56.858 54.840 -0.180 0.000 0.745 370 L CB -0.776 40.784 42.059 -0.831 0.000 0.892 370 L HN 0.167 nan 8.230 nan 0.000 0.431 371 A N -0.553 122.034 122.820 -0.389 0.000 1.883 371 A HA -0.178 4.143 4.320 0.001 0.000 0.217 371 A C 2.447 179.945 177.584 -0.144 0.000 1.186 371 A CA 2.160 53.906 52.037 -0.486 0.000 0.624 371 A CB -1.299 17.366 19.000 -0.560 0.000 0.822 371 A HN 0.589 nan 8.150 nan 0.000 0.444 372 A N -0.372 122.416 122.820 -0.054 0.000 1.933 372 A HA -0.201 4.119 4.320 0.001 0.000 0.218 372 A C 1.860 179.449 177.584 0.008 0.000 1.175 372 A CA 2.197 54.223 52.037 -0.019 0.000 0.628 372 A CB -0.689 18.291 19.000 -0.034 0.000 0.814 372 A HN 0.526 nan 8.150 nan 0.000 0.444 373 D N -1.381 119.045 120.400 0.043 0.000 2.117 373 D HA -0.162 4.478 4.640 0.001 0.000 0.197 373 D C 1.602 178.002 176.300 0.166 0.000 0.987 373 D CA 1.279 55.359 54.000 0.132 0.000 0.829 373 D CB -0.291 40.678 40.800 0.282 0.000 0.961 373 D HN 0.362 nan 8.370 nan 0.000 0.460 374 F N 0.349 120.340 119.950 0.069 0.000 2.102 374 F HA -0.178 4.350 4.527 0.001 0.000 0.298 374 F C 2.187 177.947 175.800 -0.066 0.000 1.105 374 F CA 1.112 59.110 58.000 -0.003 0.000 1.239 374 F CB -0.405 38.620 39.000 0.041 0.000 0.991 374 F HN -0.121 nan 8.300 nan 0.000 0.474 375 V N 0.759 120.697 119.914 0.041 0.000 2.261 375 V HA -0.325 3.796 4.120 0.001 0.000 0.246 375 V C 2.442 178.534 176.094 -0.004 0.000 1.047 375 V CA 2.203 64.497 62.300 -0.011 0.000 1.015 375 V CB -0.705 31.125 31.823 0.011 0.000 0.642 375 V HN 0.347 nan 8.190 nan 0.000 0.446 376 I N -0.462 120.124 120.570 0.026 0.000 2.194 376 I HA -0.302 3.869 4.170 0.001 0.000 0.246 376 I C 2.391 178.588 176.117 0.133 0.000 1.093 376 I CA 1.699 63.073 61.300 0.123 0.000 1.355 376 I CB -0.367 37.687 38.000 0.091 0.000 1.046 376 I HN 0.258 nan 8.210 nan 0.000 0.413 377 L N -0.084 121.113 121.223 -0.044 0.000 2.046 377 L HA -0.225 4.116 4.340 0.001 0.000 0.208 377 L C 2.629 179.375 176.870 -0.205 0.000 1.077 377 L CA 1.634 56.377 54.840 -0.162 0.000 0.747 377 L CB -0.748 41.111 42.059 -0.334 0.000 0.896 377 L HN 0.267 nan 8.230 nan 0.000 0.432 378 T N -1.580 112.814 114.554 -0.267 0.000 2.746 378 T HA -0.259 4.092 4.350 0.001 0.000 0.267 378 T C 1.304 175.979 174.700 -0.043 0.000 1.039 378 T CA 1.570 63.552 62.100 -0.196 0.000 1.142 378 T CB -0.387 68.370 68.868 -0.185 0.000 0.866 378 T HN 0.531 nan 8.240 nan 0.000 0.444 379 W N 2.277 123.497 121.300 -0.133 0.000 2.381 379 W HA -0.155 4.506 4.660 0.001 0.000 0.301 379 W C 1.981 178.435 176.519 -0.109 0.000 1.205 379 W CA 0.887 58.172 57.345 -0.100 0.000 1.285 379 W CB -0.490 28.923 29.460 -0.079 0.000 1.133 379 W HN 0.071 nan 8.180 nan 0.000 0.521 380 V N 0.969 120.689 119.914 -0.324 0.000 2.515 380 V HA -0.091 4.030 4.120 0.001 0.000 0.250 380 V C 2.403 178.240 176.094 -0.429 0.000 1.058 380 V CA 1.769 63.727 62.300 -0.570 0.000 1.064 380 V CB -2.053 29.647 31.823 -0.205 0.000 0.675 380 V HN 0.365 nan 8.190 nan 0.000 0.461 381 G N 0.332 108.992 108.800 -0.234 0.000 2.475 381 G HA2 -0.195 3.765 3.960 0.001 0.000 0.220 381 G HA3 -0.195 3.765 3.960 0.001 0.000 0.220 381 G C 1.507 176.385 174.900 -0.035 0.000 1.125 381 G CA 1.143 46.224 45.100 -0.033 0.000 0.755 381 G HN 0.745 nan 8.290 nan 0.000 0.565 382 A N -1.109 121.562 122.820 -0.248 0.000 2.238 382 A HA 0.331 4.652 4.320 0.001 0.000 0.210 382 A C 1.366 178.715 177.584 -0.391 0.000 1.179 382 A CA 0.256 52.138 52.037 -0.259 0.000 0.827 382 A CB 0.097 18.944 19.000 -0.256 0.000 0.856 382 A HN 0.310 nan 8.150 nan 0.000 0.488 383 Q N 0.453 119.878 119.800 -0.626 0.000 2.249 383 Q HA 0.327 4.668 4.340 0.001 0.000 0.226 383 Q C -0.110 175.570 176.000 -0.533 0.000 0.983 383 Q CA -0.133 55.153 55.803 -0.862 0.000 0.930 383 Q CB 0.317 28.042 28.738 -1.688 0.000 1.193 383 Q HN 0.590 nan 8.270 nan 0.000 0.508 384 Q N -0.155 119.368 119.800 -0.461 0.000 2.526 384 Q HA 0.120 4.461 4.340 0.001 0.000 0.207 384 Q C 0.885 176.875 176.000 -0.017 0.000 1.078 384 Q CA 0.321 56.050 55.803 -0.123 0.000 1.041 384 Q CB 0.362 29.109 28.738 0.016 0.000 1.228 384 Q HN 0.711 nan 8.270 nan 0.000 0.603 385 T N -3.537 111.036 114.554 0.032 0.000 3.129 385 T HA -0.003 4.348 4.350 0.001 0.000 0.251 385 T C 0.923 175.683 174.700 0.100 0.000 1.117 385 T CA 0.214 62.335 62.100 0.035 0.000 1.034 385 T CB -0.414 68.444 68.868 -0.015 0.000 0.968 385 T HN 0.718 nan 8.240 nan 0.000 0.526 386 T N 0.548 115.200 114.554 0.163 0.000 2.726 386 T HA 0.411 4.762 4.350 0.001 0.000 0.294 386 T C -0.043 174.744 174.700 0.145 0.000 1.013 386 T CA -0.950 61.249 62.100 0.165 0.000 0.996 386 T CB 0.155 69.122 68.868 0.166 0.000 1.016 386 T HN 0.215 nan 8.240 nan 0.000 0.529 387 F N 3.067 123.033 119.950 0.026 0.000 2.518 387 F HA 0.384 4.912 4.527 0.001 0.000 0.359 387 F C -1.377 174.287 175.800 -0.227 0.000 1.118 387 F CA -2.167 55.830 58.000 -0.006 0.000 1.287 387 F CB 0.758 39.789 39.000 0.052 0.000 1.132 387 F HN 0.407 nan 8.300 nan 0.000 0.587 388 P HA 0.028 nan 4.420 nan 0.000 0.266 388 P C 0.381 177.384 177.300 -0.495 0.000 1.381 388 P CA 0.429 62.729 63.100 -1.333 0.000 0.940 388 P CB -0.133 30.676 31.700 -1.485 0.000 1.435 389 Y N 2.212 122.423 120.300 -0.148 0.000 2.293 389 Y HA -0.181 4.370 4.550 0.001 0.000 0.291 389 Y C 2.170 178.030 175.900 -0.066 0.000 1.137 389 Y CA 1.591 59.631 58.100 -0.101 0.000 1.202 389 Y CB -1.415 36.944 38.460 -0.169 0.000 0.990 389 Y HN 0.112 nan 8.280 nan 0.000 0.537 390 D N -1.651 118.789 120.400 0.067 0.000 2.144 390 D HA -0.240 4.401 4.640 0.001 0.000 0.199 390 D C 1.633 177.870 176.300 -0.105 0.000 0.984 390 D CA 1.279 55.249 54.000 -0.049 0.000 0.834 390 D CB -1.075 39.682 40.800 -0.072 0.000 0.955 390 D HN 0.376 nan 8.370 nan 0.000 0.465 391 W N 0.565 121.863 121.300 -0.004 0.000 2.409 391 W HA 0.229 4.890 4.660 0.001 0.000 0.299 391 W C 2.412 178.938 176.519 0.011 0.000 1.203 391 W CA 0.219 57.578 57.345 0.024 0.000 1.298 391 W CB -0.273 29.232 29.460 0.075 0.000 1.127 391 W HN -0.100 nan 8.180 nan 0.000 0.528 392 I N 0.313 121.020 120.570 0.229 0.000 2.179 392 I HA -0.370 3.801 4.170 0.001 0.000 0.242 392 I C 2.666 178.852 176.117 0.115 0.000 1.088 392 I CA 1.869 63.279 61.300 0.184 0.000 1.357 392 I CB -0.941 37.198 38.000 0.231 0.000 1.051 392 I HN -0.046 nan 8.210 nan 0.000 0.409 393 S N 1.113 116.836 115.700 0.037 0.000 2.383 393 S HA -0.183 4.287 4.470 0.001 0.000 0.229 393 S C 2.045 176.584 174.600 -0.100 0.000 1.030 393 S CA 1.043 59.207 58.200 -0.060 0.000 1.002 393 S CB -0.903 62.205 63.200 -0.153 0.000 0.829 393 S HN 0.400 nan 8.310 nan 0.000 0.467 394 L N 0.790 121.931 121.223 -0.137 0.000 2.027 394 L HA 0.003 4.343 4.340 0.001 0.000 0.206 394 L C 2.652 179.535 176.870 0.022 0.000 1.074 394 L CA 1.468 56.198 54.840 -0.183 0.000 0.745 394 L CB -0.453 41.438 42.059 -0.282 0.000 0.898 394 L HN 0.339 nan 8.230 nan 0.000 0.433 395 I N -0.484 120.161 120.570 0.126 0.000 2.208 395 I HA -0.313 3.858 4.170 0.001 0.000 0.245 395 I C 2.774 179.030 176.117 0.232 0.000 1.097 395 I CA 1.175 62.600 61.300 0.209 0.000 1.363 395 I CB -0.620 37.518 38.000 0.229 0.000 1.051 395 I HN 0.238 nan 8.210 nan 0.000 0.413 396 A N 0.681 123.612 122.820 0.186 0.000 1.883 396 A HA -0.216 4.104 4.320 0.001 0.000 0.217 396 A C 2.525 180.277 177.584 0.280 0.000 1.186 396 A CA 2.408 54.574 52.037 0.215 0.000 0.624 396 A CB -0.848 18.227 19.000 0.126 0.000 0.822 396 A HN 0.425 nan 8.150 nan 0.000 0.444 397 S N 0.214 116.039 115.700 0.208 0.000 2.359 397 S HA -0.083 4.388 4.470 0.001 0.000 0.224 397 S C 2.315 177.234 174.600 0.532 0.000 1.035 397 S CA 1.316 59.712 58.200 0.328 0.000 1.018 397 S CB -0.645 62.721 63.200 0.277 0.000 0.876 397 S HN 0.841 nan 8.310 nan 0.000 0.448 398 A N 0.888 123.958 122.820 0.417 0.000 1.883 398 A HA -0.173 4.148 4.320 0.001 0.000 0.217 398 A C 2.000 179.814 177.584 0.383 0.000 1.186 398 A CA 1.841 54.120 52.037 0.403 0.000 0.624 398 A CB -1.134 18.040 19.000 0.290 0.000 0.822 398 A HN 0.561 nan 8.150 nan 0.000 0.444 399 Y N -1.022 119.451 120.300 0.288 0.000 2.224 399 Y HA -0.243 4.308 4.550 0.001 0.000 0.289 399 Y C 2.272 178.329 175.900 0.263 0.000 1.146 399 Y CA 1.608 59.853 58.100 0.242 0.000 1.182 399 Y CB -0.330 38.248 38.460 0.196 0.000 0.983 399 Y HN 0.575 nan 8.280 nan 0.000 0.524 400 W N 0.171 121.524 121.300 0.089 0.000 2.333 400 W HA -0.313 4.348 4.660 0.001 0.000 0.316 400 W C 1.542 178.046 176.519 -0.024 0.000 1.215 400 W CA 2.235 59.570 57.345 -0.017 0.000 1.278 400 W CB -0.990 28.429 29.460 -0.067 0.000 1.154 400 W HN 0.166 nan 8.180 nan 0.000 0.486 401 F N 1.000 121.139 119.950 0.316 0.000 2.259 401 F HA -0.066 4.462 4.527 0.001 0.000 0.298 401 F C 2.727 178.543 175.800 0.028 0.000 1.088 401 F CA 1.764 59.891 58.000 0.211 0.000 1.358 401 F CB -1.323 37.806 39.000 0.214 0.000 1.040 401 F HN -0.109 nan 8.300 nan 0.000 0.505 402 A N -0.658 122.222 122.820 0.100 0.000 1.940 402 A HA -0.270 4.050 4.320 0.001 0.000 0.219 402 A C 2.052 179.472 177.584 -0.274 0.000 1.176 402 A CA 1.607 53.596 52.037 -0.080 0.000 0.631 402 A CB -1.376 17.553 19.000 -0.119 0.000 0.814 402 A HN 0.501 nan 8.150 nan 0.000 0.446 403 Y N -0.761 119.167 120.300 -0.620 0.000 2.145 403 Y HA -0.190 4.360 4.550 0.001 0.000 0.286 403 Y C 1.903 177.412 175.900 -0.652 0.000 1.145 403 Y CA 2.177 59.808 58.100 -0.782 0.000 1.148 403 Y CB -0.334 37.464 38.460 -1.104 0.000 0.981 403 Y HN 0.276 nan 8.280 nan 0.000 0.507 404 F N -0.676 119.122 119.950 -0.254 0.000 2.219 404 F HA -0.062 4.466 4.527 0.001 0.000 0.294 404 F C 2.065 177.763 175.800 -0.171 0.000 1.086 404 F CA 1.067 58.923 58.000 -0.240 0.000 1.330 404 F CB -0.614 38.283 39.000 -0.172 0.000 1.047 404 F HN -0.026 nan 8.300 nan 0.000 0.495 405 L N -1.203 120.073 121.223 0.088 0.000 2.095 405 L HA -0.070 4.271 4.340 0.001 0.000 0.204 405 L C 1.982 178.836 176.870 -0.027 0.000 1.080 405 L CA 0.645 55.520 54.840 0.059 0.000 0.759 405 L CB -0.572 41.560 42.059 0.121 0.000 0.914 405 L HN -0.030 nan 8.230 nan 0.000 0.439 406 V N -0.647 119.216 119.914 -0.084 0.000 2.602 406 V HA -0.022 4.098 4.120 0.001 0.000 0.235 406 V C 2.171 178.145 176.094 -0.200 0.000 1.087 406 V CA 0.510 62.742 62.300 -0.112 0.000 1.117 406 V CB 0.079 31.852 31.823 -0.082 0.000 0.820 406 V HN 0.151 nan 8.190 nan 0.000 0.490 407 I N 0.403 120.779 120.570 -0.323 0.000 2.118 407 I HA -0.310 3.861 4.170 0.001 0.000 0.241 407 I C 2.443 178.312 176.117 -0.413 0.000 1.070 407 I CA 1.935 62.957 61.300 -0.462 0.000 1.327 407 I CB -0.468 37.104 38.000 -0.713 0.000 1.034 407 I HN 0.248 nan 8.210 nan 0.000 0.405 408 L N 0.123 121.056 121.223 -0.484 0.000 2.046 408 L HA -0.137 4.204 4.340 0.001 0.000 0.208 408 L C -0.191 176.573 176.870 -0.178 0.000 1.077 408 L CA 1.599 56.233 54.840 -0.343 0.000 0.747 408 L CB -1.837 39.968 42.059 -0.422 0.000 0.896 408 L HN 0.180 nan 8.230 nan 0.000 0.432 409 P HA -0.158 nan 4.420 nan 0.000 0.216 409 P C 1.823 179.080 177.300 -0.072 0.000 1.153 409 P CA 1.460 64.511 63.100 -0.080 0.000 0.848 409 P CB 0.110 31.775 31.700 -0.057 0.000 0.787 410 I N -1.344 119.171 120.570 -0.093 0.000 2.202 410 I HA -0.204 3.967 4.170 0.001 0.000 0.242 410 I C 2.210 178.295 176.117 -0.054 0.000 1.091 410 I CA 1.217 62.475 61.300 -0.070 0.000 1.368 410 I CB -0.679 37.270 38.000 -0.085 0.000 1.058 410 I HN -0.128 nan 8.210 nan 0.000 0.410 411 L N 0.655 121.835 121.223 -0.071 0.000 2.189 411 L HA -0.200 4.141 4.340 0.001 0.000 0.214 411 L C 2.595 179.460 176.870 -0.008 0.000 1.097 411 L CA 1.319 56.151 54.840 -0.015 0.000 0.764 411 L CB -1.138 40.934 42.059 0.021 0.000 0.900 411 L HN 0.371 nan 8.230 nan 0.000 0.436 412 G N -0.522 108.259 108.800 -0.031 0.000 2.469 412 G HA2 -0.246 3.714 3.960 0.001 0.000 0.220 412 G HA3 -0.246 3.714 3.960 0.001 0.000 0.220 412 G C 1.616 176.505 174.900 -0.018 0.000 1.136 412 G CA 1.025 46.107 45.100 -0.030 0.000 0.759 412 G HN 0.521 nan 8.290 nan 0.000 0.562 413 A N 0.256 123.068 122.820 -0.012 0.000 1.919 413 A HA 0.373 4.694 4.320 0.001 0.000 0.211 413 A C 2.287 179.874 177.584 0.005 0.000 1.310 413 A CA 0.538 52.572 52.037 -0.004 0.000 0.651 413 A CB -0.227 18.771 19.000 -0.004 0.000 0.996 413 A HN 0.221 nan 8.150 nan 0.000 0.479 414 I N 0.583 121.158 120.570 0.009 0.000 2.065 414 I HA -0.275 3.896 4.170 0.001 0.000 0.236 414 I C 1.407 177.544 176.117 0.033 0.000 1.028 414 I CA 1.392 62.706 61.300 0.023 0.000 1.299 414 I CB -0.611 37.407 38.000 0.031 0.000 1.015 414 I HN 0.492 nan 8.210 nan 0.000 0.396 415 E N 1.957 122.182 120.200 0.042 0.000 2.568 415 E HA -0.164 4.186 4.350 0.001 0.000 0.262 415 E C -0.093 176.529 176.600 0.037 0.000 0.961 415 E CA 0.283 56.715 56.400 0.054 0.000 0.945 415 E CB 0.426 30.167 29.700 0.069 0.000 0.924 415 E HN -0.006 nan 8.360 nan 0.000 0.467 416 K N 6.503 126.928 120.400 0.043 0.000 2.464 416 K HA 0.320 4.641 4.320 0.001 0.000 0.252 416 K C -2.460 174.163 176.600 0.039 0.000 1.000 416 K CA -2.207 54.100 56.287 0.033 0.000 0.951 416 K CB 1.123 33.642 32.500 0.032 0.000 1.183 416 K HN 0.268 nan 8.250 nan 0.000 0.445 417 P HA 0.125 nan 4.420 nan 0.000 0.277 417 P C -0.330 176.995 177.300 0.041 0.000 1.240 417 P CA -0.527 62.597 63.100 0.040 0.000 0.798 417 P CB 1.149 32.861 31.700 0.020 0.000 0.979 418 V N 1.529 121.486 119.914 0.072 0.000 3.133 418 V HA 0.354 4.475 4.120 0.001 0.000 0.305 418 V C 0.908 176.996 176.094 -0.009 0.000 1.084 418 V CA -0.380 61.955 62.300 0.059 0.000 1.089 418 V CB 0.888 32.788 31.823 0.129 0.000 1.073 418 V HN 0.817 nan 8.190 nan 0.000 0.477 419 A N 4.653 127.430 122.820 -0.072 0.000 2.328 419 A HA 0.688 5.009 4.320 0.001 0.000 0.284 419 A C -2.040 175.307 177.584 -0.395 0.000 1.160 419 A CA -1.161 50.777 52.037 -0.166 0.000 0.818 419 A CB 0.097 19.030 19.000 -0.112 0.000 1.087 419 A HN 0.680 nan 8.150 nan 0.000 0.504 420 P HA 0.485 nan 4.420 nan 0.000 0.283 420 P C -2.787 174.233 177.300 -0.467 0.000 1.271 420 P CA -1.713 60.772 63.100 -1.024 0.000 0.841 420 P CB 0.027 31.235 31.700 -0.820 0.000 1.122 421 P HA 0.005 nan 4.420 nan 0.000 0.267 421 P C 0.726 177.965 177.300 -0.102 0.000 1.201 421 P CA 0.199 63.220 63.100 -0.132 0.000 0.775 421 P CB 0.144 31.825 31.700 -0.031 0.000 0.854 422 A N 1.553 124.335 122.820 -0.064 0.000 1.968 422 A HA 0.090 4.411 4.320 0.001 0.000 0.217 422 A C 0.916 178.482 177.584 -0.030 0.000 1.169 422 A CA 1.879 53.887 52.037 -0.049 0.000 0.638 422 A CB -0.699 18.279 19.000 -0.036 0.000 0.812 422 A HN 0.662 nan 8.150 nan 0.000 0.446 423 T N -5.026 109.518 114.554 -0.017 0.000 2.868 423 T HA 0.561 4.911 4.350 0.001 0.000 0.306 423 T C 0.600 175.306 174.700 0.010 0.000 1.224 423 T CA -0.345 61.752 62.100 -0.005 0.000 1.012 423 T CB 0.686 69.552 68.868 -0.002 0.000 1.221 423 T HN -0.013 nan 8.240 nan 0.000 0.499 424 I N 0.835 121.408 120.570 0.006 0.000 2.286 424 I HA -0.096 4.074 4.170 0.001 0.000 0.248 424 I C 2.800 178.947 176.117 0.049 0.000 1.115 424 I CA 1.477 62.785 61.300 0.012 0.000 1.392 424 I CB -0.286 37.695 38.000 -0.032 0.000 1.065 424 I HN 0.901 nan 8.210 nan 0.000 0.418 425 E N 1.325 121.546 120.200 0.035 0.000 2.049 425 E HA -0.332 4.019 4.350 0.001 0.000 0.198 425 E C 2.163 178.835 176.600 0.120 0.000 1.007 425 E CA 1.819 58.268 56.400 0.081 0.000 0.809 425 E CB -0.143 29.582 29.700 0.042 0.000 0.749 425 E HN 0.483 nan 8.360 nan 0.000 0.450 426 E N 0.141 120.379 120.200 0.064 0.000 2.118 426 E HA -0.247 4.104 4.350 0.001 0.000 0.195 426 E C 1.782 178.415 176.600 0.055 0.000 0.992 426 E CA 1.670 58.097 56.400 0.045 0.000 0.804 426 E CB -0.110 29.601 29.700 0.018 0.000 0.741 426 E HN 0.272 nan 8.360 nan 0.000 0.458 427 D N -0.606 119.839 120.400 0.076 0.000 2.097 427 D HA -0.171 4.469 4.640 0.001 0.000 0.197 427 D C 1.829 178.193 176.300 0.107 0.000 0.984 427 D CA 0.899 54.952 54.000 0.088 0.000 0.826 427 D CB -0.303 40.559 40.800 0.102 0.000 0.973 427 D HN 0.157 nan 8.370 nan 0.000 0.460 428 F N 1.373 121.307 119.950 -0.026 0.000 2.065 428 F HA -0.223 4.304 4.527 0.001 0.000 0.298 428 F C 1.982 177.763 175.800 -0.031 0.000 1.112 428 F CA 1.642 59.617 58.000 -0.042 0.000 1.212 428 F CB -0.627 38.335 39.000 -0.062 0.000 0.975 428 F HN -0.018 nan 8.300 nan 0.000 0.476 429 N N 0.899 119.538 118.700 -0.102 0.000 2.039 429 N HA -0.088 4.653 4.740 0.001 0.000 0.193 429 N C 1.183 176.596 175.510 -0.161 0.000 1.044 429 N CA 1.115 54.042 53.050 -0.205 0.000 0.847 429 N CB -1.115 37.342 38.487 -0.050 0.000 1.030 429 N HN 0.352 nan 8.380 nan 0.000 0.422 430 A N 0.000 122.778 122.820 -0.069 0.000 2.254 430 A HA 0.000 4.321 4.320 0.001 0.000 0.244 430 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 430 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486