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 3chd_1_B DATA FIRST_RESID 39 DATA SEQUENCE ASSGYRSVVY FVNWAIYGRN HNPQDLPVER LTHVLYAFAN VRPETGEVYM DATA SEQUENCE TDSWADIEKH YPGDSWSDTG NNVYGCIKQL YLLKKQNRNL KVLLSIGGWT DATA SEQUENCE YSPNFAPAAS TDAGRKNFAK TAVKLLQDLG FDGLDIDWEY PENDQQANDF DATA SEQUENCE VLLLKEVRTA LDSYSAANAG GQHFLLTVAS PAGPDKIKVL HLKDMDQQLD DATA SEQUENCE FWNLMAYDYA GSFSSLSGHQ ANVYNDTSNP LSTPFNTQTA LDLYRAGGVP DATA SEQUENCE ANKIVLGMPL YGRSFANTDG PGKPYNGVGQ GSWENGVWDY KALPQAGATE DATA SEQUENCE HVLPDIMASY SYDATNKFLI SYDNPQVANL KSGYIKSLGL GGAMWWDSSS DATA SEQUENCE DKTGSDSLIT TVVNALGGTG VFEQSQNELD YPVSQYDNLR NGMQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 A HA 0.000 nan 4.320 nan 0.000 0.244 39 A C 0.000 177.593 177.584 0.015 0.000 1.274 39 A CA 0.000 52.048 52.037 0.018 0.000 0.836 39 A CB 0.000 19.009 19.000 0.015 0.000 0.831 40 S N 0.241 115.954 115.700 0.022 0.000 2.552 40 S HA 0.814 5.284 4.470 0.001 0.000 0.272 40 S C -0.151 174.458 174.600 0.014 0.000 1.150 40 S CA 0.026 58.234 58.200 0.013 0.000 0.849 40 S CB 0.992 64.199 63.200 0.012 0.000 1.113 40 S HN 2.270 nan 8.310 nan 0.000 0.458 41 S N 0.898 116.594 115.700 -0.006 0.000 2.600 41 S HA 0.894 5.364 4.470 0.001 0.000 0.265 41 S C 0.676 175.247 174.600 -0.049 0.000 1.325 41 S CA 0.102 58.287 58.200 -0.025 0.000 1.002 41 S CB 0.472 63.646 63.200 -0.044 0.000 0.921 41 S HN 2.259 nan 8.310 nan 0.000 0.554 42 G N -0.249 108.494 108.800 -0.094 0.000 2.317 42 G HA2 0.375 4.336 3.960 0.001 0.000 0.293 42 G HA3 0.375 4.336 3.960 0.001 0.000 0.293 42 G C -1.978 172.813 174.900 -0.181 0.000 1.287 42 G CA -1.018 43.987 45.100 -0.158 0.000 0.850 42 G HN 0.609 nan 8.290 nan 0.000 0.515 43 Y N 0.983 121.332 120.300 0.082 0.000 2.304 43 Y HA 0.607 5.158 4.550 0.001 0.000 0.327 43 Y C 1.490 177.347 175.900 -0.070 0.000 1.209 43 Y CA -0.056 58.058 58.100 0.023 0.000 1.299 43 Y CB 0.842 39.359 38.460 0.095 0.000 1.249 43 Y HN 0.292 nan 8.280 nan 0.000 0.519 44 R N 0.730 121.214 120.500 -0.026 0.000 2.486 44 R HA 0.566 4.906 4.340 0.001 0.000 0.286 44 R C -0.621 175.544 176.300 -0.226 0.000 0.999 44 R CA -0.843 55.135 56.100 -0.202 0.000 0.993 44 R CB 1.517 31.552 30.300 -0.442 0.000 1.084 44 R HN 0.549 nan 8.270 nan 0.000 0.487 45 S N 1.819 117.357 115.700 -0.270 0.000 2.718 45 S HA 0.352 4.823 4.470 0.001 0.000 0.294 45 S C -0.940 173.712 174.600 0.087 0.000 1.157 45 S CA -0.642 57.505 58.200 -0.088 0.000 1.121 45 S CB 0.701 63.742 63.200 -0.266 0.000 1.015 45 S HN 0.303 nan 8.310 nan 0.000 0.479 46 V N 4.876 124.867 119.914 0.128 0.000 2.513 46 V HA 0.780 4.900 4.120 0.001 0.000 0.299 46 V C -0.206 176.073 176.094 0.309 0.000 1.035 46 V CA -0.677 61.727 62.300 0.173 0.000 0.889 46 V CB 1.661 33.527 31.823 0.072 0.000 0.988 46 V HN 0.611 nan 8.190 nan 0.000 0.440 47 V N 4.738 124.799 119.914 0.245 0.000 2.888 47 V HA 0.576 4.697 4.120 0.001 0.000 0.309 47 V C -1.692 174.472 176.094 0.118 0.000 1.114 47 V CA -0.543 61.937 62.300 0.301 0.000 0.940 47 V CB 2.337 34.341 31.823 0.302 0.000 1.021 47 V HN 0.749 nan 8.190 nan 0.000 0.426 48 Y N 5.160 125.533 120.300 0.123 0.000 2.313 48 Y HA 0.511 5.061 4.550 0.001 0.000 0.332 48 Y C -0.287 175.478 175.900 -0.226 0.000 1.071 48 Y CA -0.018 58.053 58.100 -0.047 0.000 1.169 48 Y CB 1.526 39.900 38.460 -0.143 0.000 1.192 48 Y HN 0.635 nan 8.280 nan 0.000 0.487 49 F N 5.054 124.907 119.950 -0.162 0.000 2.402 49 F HA 0.569 5.097 4.527 0.001 0.000 0.355 49 F C -0.683 174.824 175.800 -0.488 0.000 1.123 49 F CA -1.234 56.629 58.000 -0.228 0.000 1.021 49 F CB 0.602 39.576 39.000 -0.044 0.000 1.160 49 F HN 0.236 nan 8.300 nan 0.000 0.451 50 V N 4.150 123.316 119.914 -1.248 0.000 2.481 50 V HA 0.313 4.434 4.120 0.001 0.000 0.286 50 V C 0.730 176.096 176.094 -1.214 0.000 1.042 50 V CA -0.552 60.868 62.300 -1.467 0.000 0.928 50 V CB 1.338 31.783 31.823 -2.296 0.000 0.986 50 V HN 0.858 nan 8.190 nan 0.000 0.462 51 N N 3.719 121.944 118.700 -0.792 0.000 2.453 51 N HA -0.145 4.596 4.740 0.001 0.000 0.183 51 N C 1.138 176.619 175.510 -0.048 0.000 1.041 51 N CA 1.685 54.578 53.050 -0.261 0.000 0.900 51 N CB -0.645 37.752 38.487 -0.150 0.000 0.961 51 N HN 0.993 nan 8.380 nan 0.000 0.443 52 W N -1.133 120.130 121.300 -0.061 0.000 3.180 52 W HA 0.607 5.267 4.660 0.001 0.000 0.254 52 W C 1.538 178.014 176.519 -0.071 0.000 1.318 52 W CA -0.191 57.218 57.345 0.107 0.000 1.608 52 W CB -0.351 29.214 29.460 0.175 0.000 1.124 52 W HN 0.104 nan 8.180 nan 0.000 0.694 53 A N 2.216 124.735 122.820 -0.502 0.000 2.121 53 A HA -0.087 4.233 4.320 0.001 0.000 0.218 53 A C 1.901 179.340 177.584 -0.242 0.000 1.154 53 A CA 1.364 53.108 52.037 -0.488 0.000 0.679 53 A CB -1.030 17.515 19.000 -0.759 0.000 0.795 53 A HN 0.688 nan 8.150 nan 0.000 0.458 54 I N -4.581 115.851 120.570 -0.230 0.000 3.176 54 I HA -0.014 4.157 4.170 0.001 0.000 0.275 54 I C 1.542 177.520 176.117 -0.231 0.000 1.298 54 I CA 0.483 61.668 61.300 -0.192 0.000 1.445 54 I CB -0.335 37.528 38.000 -0.228 0.000 1.075 54 I HN 0.214 nan 8.210 nan 0.000 0.482 55 Y N 2.006 122.344 120.300 0.063 0.000 3.098 55 Y HA 0.408 4.959 4.550 0.001 0.000 0.204 55 Y C 2.631 178.523 175.900 -0.015 0.000 0.896 55 Y CA 0.919 59.062 58.100 0.071 0.000 1.051 55 Y CB -1.299 37.222 38.460 0.102 0.000 1.077 55 Y HN -0.097 nan 8.280 nan 0.000 0.463 56 G N -0.002 108.876 108.800 0.129 0.000 2.442 56 G HA2 -0.237 3.723 3.960 0.001 0.000 0.219 56 G HA3 -0.237 3.723 3.960 0.001 0.000 0.219 56 G C 1.529 176.230 174.900 -0.330 0.000 1.141 56 G CA 0.938 46.029 45.100 -0.015 0.000 0.763 56 G HN 0.319 nan 8.290 nan 0.000 0.554 57 R N -0.368 119.721 120.500 -0.685 0.000 2.237 57 R HA -0.001 4.340 4.340 0.001 0.000 0.219 57 R C 1.098 177.318 176.300 -0.132 0.000 1.080 57 R CA 0.460 56.195 56.100 -0.608 0.000 0.995 57 R CB -0.217 29.673 30.300 -0.685 0.000 0.875 57 R HN 0.347 nan 8.270 nan 0.000 0.462 58 N N 0.938 119.608 118.700 -0.049 0.000 2.705 58 N HA -0.261 4.479 4.740 0.001 0.000 0.255 58 N C -1.484 174.084 175.510 0.098 0.000 1.008 58 N CA 0.791 53.871 53.050 0.051 0.000 0.742 58 N CB -1.192 37.349 38.487 0.089 0.000 0.906 58 N HN 0.477 nan 8.380 nan 0.000 0.541 59 H N 0.079 119.114 119.070 -0.057 0.000 2.658 59 H HA 0.626 5.183 4.556 0.001 0.000 0.337 59 H C -0.537 174.854 175.328 0.105 0.000 1.009 59 H CA -0.697 55.339 56.048 -0.020 0.000 1.231 59 H CB 0.593 30.277 29.762 -0.131 0.000 1.508 59 H HN 0.366 nan 8.280 nan 0.000 0.517 60 N N 4.942 123.523 118.700 -0.198 0.000 2.432 60 N HA 0.246 4.987 4.740 0.001 0.000 0.292 60 N C -2.088 173.199 175.510 -0.371 0.000 1.193 60 N CA -1.896 51.070 53.050 -0.140 0.000 0.878 60 N CB 1.678 40.051 38.487 -0.190 0.000 1.252 60 N HN 0.370 nan 8.380 nan 0.000 0.520 61 P HA -0.178 nan 4.420 nan 0.000 0.216 61 P C 0.599 177.635 177.300 -0.440 0.000 1.150 61 P CA 1.416 64.074 63.100 -0.736 0.000 0.843 61 P CB 0.209 31.435 31.700 -0.791 0.000 0.787 62 Q N -0.667 118.884 119.800 -0.414 0.000 2.297 62 Q HA -0.156 4.184 4.340 0.001 0.000 0.208 62 Q C 1.335 177.216 176.000 -0.199 0.000 0.981 62 Q CA 1.300 56.928 55.803 -0.292 0.000 0.876 62 Q CB -0.823 27.741 28.738 -0.289 0.000 0.921 62 Q HN 0.360 nan 8.270 nan 0.000 0.446 63 D N -0.508 119.766 120.400 -0.209 0.000 2.349 63 D HA 0.028 4.669 4.640 0.001 0.000 0.215 63 D C 0.046 176.333 176.300 -0.022 0.000 1.016 63 D CA 0.159 54.099 54.000 -0.100 0.000 0.870 63 D CB 0.154 40.908 40.800 -0.077 0.000 0.917 63 D HN 0.261 nan 8.370 nan 0.000 0.524 64 L N 2.605 123.794 121.223 -0.057 0.000 2.456 64 L HA 0.095 4.435 4.340 0.001 0.000 0.272 64 L C -1.652 175.222 176.870 0.007 0.000 1.189 64 L CA -1.135 53.717 54.840 0.020 0.000 0.846 64 L CB 0.160 42.211 42.059 -0.013 0.000 1.111 64 L HN -0.181 nan 8.230 nan 0.000 0.475 65 P HA 0.023 nan 4.420 nan 0.000 0.231 65 P C 0.954 178.273 177.300 0.031 0.000 1.811 65 P CA -0.247 62.864 63.100 0.018 0.000 1.051 65 P CB 0.279 31.983 31.700 0.007 0.000 1.951 66 V N 1.039 120.960 119.914 0.012 0.000 2.453 66 V HA -0.263 3.857 4.120 0.001 0.000 0.252 66 V C 1.792 177.922 176.094 0.059 0.000 1.068 66 V CA 1.583 63.893 62.300 0.017 0.000 1.070 66 V CB -1.526 30.283 31.823 -0.023 0.000 0.664 66 V HN 0.221 nan 8.190 nan 0.000 0.461 67 E N 0.388 120.625 120.200 0.061 0.000 2.347 67 E HA -0.008 4.343 4.350 0.001 0.000 0.196 67 E C 1.986 178.699 176.600 0.188 0.000 1.008 67 E CA 0.619 57.073 56.400 0.089 0.000 0.852 67 E CB -0.152 29.572 29.700 0.040 0.000 0.783 67 E HN 0.603 nan 8.360 nan 0.000 0.505 68 R N 0.318 120.941 120.500 0.205 0.000 2.427 68 R HA 0.278 4.619 4.340 0.001 0.000 0.262 68 R C -0.224 176.315 176.300 0.399 0.000 0.943 68 R CA 0.002 56.311 56.100 0.348 0.000 1.081 68 R CB 0.365 30.774 30.300 0.183 0.000 1.166 68 R HN 0.047 nan 8.270 nan 0.000 0.534 69 L N -1.227 120.149 121.223 0.255 0.000 2.333 69 L HA 0.387 4.727 4.340 0.001 0.000 0.263 69 L C 1.111 177.951 176.870 -0.049 0.000 1.014 69 L CA -0.525 54.352 54.840 0.061 0.000 0.820 69 L CB 2.305 44.415 42.059 0.085 0.000 1.352 69 L HN -0.027 nan 8.230 nan 0.000 0.421 70 T N -4.249 110.218 114.554 -0.144 0.000 2.964 70 T HA 0.255 4.606 4.350 0.001 0.000 0.249 70 T C 0.188 174.741 174.700 -0.246 0.000 1.000 70 T CA 0.148 62.148 62.100 -0.168 0.000 0.992 70 T CB 0.085 68.854 68.868 -0.166 0.000 1.087 70 T HN 0.531 nan 8.240 nan 0.000 0.489 71 H N -0.183 118.889 119.070 0.004 0.000 2.771 71 H HA 0.743 5.300 4.556 0.001 0.000 0.361 71 H C -1.479 173.883 175.328 0.056 0.000 1.108 71 H CA -0.701 55.388 56.048 0.068 0.000 1.201 71 H CB 2.241 32.093 29.762 0.151 0.000 1.681 71 H HN 0.044 nan 8.280 nan 0.000 0.534 72 V N 3.755 123.761 119.914 0.152 0.000 2.448 72 V HA 0.262 4.383 4.120 0.001 0.000 0.295 72 V C -0.881 175.260 176.094 0.078 0.000 1.025 72 V CA -0.704 61.656 62.300 0.101 0.000 0.859 72 V CB 1.509 33.370 31.823 0.064 0.000 0.988 72 V HN 0.438 nan 8.190 nan 0.000 0.431 73 L N 5.443 126.649 121.223 -0.029 0.000 2.276 73 L HA 0.422 4.763 4.340 0.001 0.000 0.286 73 L C -0.586 176.314 176.870 0.050 0.000 1.024 73 L CA -0.330 54.448 54.840 -0.104 0.000 0.826 73 L CB 0.846 42.575 42.059 -0.551 0.000 1.211 73 L HN 0.605 nan 8.230 nan 0.000 0.422 74 Y N 3.690 123.971 120.300 -0.032 0.000 2.486 74 Y HA 0.584 5.134 4.550 0.001 0.000 0.348 74 Y C 0.234 176.121 175.900 -0.023 0.000 1.000 74 Y CA -0.639 57.470 58.100 0.016 0.000 1.253 74 Y CB 0.660 39.141 38.460 0.035 0.000 1.140 74 Y HN 0.662 nan 8.280 nan 0.000 0.526 75 A N 6.503 129.058 122.820 -0.441 0.000 2.317 75 A HA 0.768 5.089 4.320 0.001 0.000 0.327 75 A C -1.681 175.570 177.584 -0.554 0.000 1.178 75 A CA -0.358 51.264 52.037 -0.692 0.000 0.817 75 A CB 0.339 18.510 19.000 -1.381 0.000 1.189 75 A HN 0.621 nan 8.150 nan 0.000 0.489 76 F N 0.331 120.335 119.950 0.089 0.000 2.599 76 F HA 0.675 5.203 4.527 0.001 0.000 0.311 76 F C 0.494 176.341 175.800 0.078 0.000 1.076 76 F CA -0.476 57.612 58.000 0.147 0.000 0.937 76 F CB 2.213 41.362 39.000 0.248 0.000 1.282 76 F HN 0.760 nan 8.300 nan 0.000 0.460 77 A N 1.840 124.784 122.820 0.205 0.000 2.282 77 A HA 0.657 4.977 4.320 0.001 0.000 0.319 77 A C -0.551 176.827 177.584 -0.343 0.000 1.121 77 A CA -0.429 51.547 52.037 -0.100 0.000 0.836 77 A CB 0.834 19.765 19.000 -0.116 0.000 1.146 77 A HN 0.706 nan 8.150 nan 0.000 0.494 78 N N -0.680 117.500 118.700 -0.866 0.000 2.518 78 N HA 0.576 5.316 4.740 0.001 0.000 0.284 78 N C -1.433 173.566 175.510 -0.853 0.000 1.230 78 N CA -0.401 51.931 53.050 -1.196 0.000 0.941 78 N CB 1.754 39.135 38.487 -1.843 0.000 1.219 78 N HN 0.630 nan 8.380 nan 0.000 0.560 79 V N 1.151 120.686 119.914 -0.631 0.000 2.623 79 V HA 0.506 4.626 4.120 0.001 0.000 0.304 79 V C -0.827 175.166 176.094 -0.168 0.000 1.054 79 V CA -0.809 61.283 62.300 -0.346 0.000 0.882 79 V CB 1.201 32.814 31.823 -0.350 0.000 1.002 79 V HN 0.649 nan 8.190 nan 0.000 0.424 80 R N 7.940 128.451 120.500 0.019 0.000 2.401 80 R HA 0.264 4.605 4.340 0.001 0.000 0.299 80 R C -1.611 174.657 176.300 -0.053 0.000 1.064 80 R CA -1.219 54.885 56.100 0.006 0.000 1.000 80 R CB 1.038 31.335 30.300 -0.005 0.000 0.973 80 R HN 0.621 nan 8.270 nan 0.000 0.438 81 P HA -0.219 nan 4.420 nan 0.000 0.217 81 P C 0.639 177.912 177.300 -0.045 0.000 1.150 81 P CA 1.409 64.461 63.100 -0.080 0.000 0.832 81 P CB 0.262 31.913 31.700 -0.080 0.000 0.787 82 E N 0.301 120.479 120.200 -0.035 0.000 2.208 82 E HA -0.086 4.264 4.350 0.001 0.000 0.193 82 E C 1.475 178.066 176.600 -0.015 0.000 0.988 82 E CA 1.854 58.240 56.400 -0.024 0.000 0.828 82 E CB -1.349 28.335 29.700 -0.027 0.000 0.763 82 E HN 0.382 nan 8.360 nan 0.000 0.478 83 T N -4.690 109.856 114.554 -0.014 0.000 2.986 83 T HA 0.436 4.787 4.350 0.001 0.000 0.264 83 T C 1.476 176.193 174.700 0.027 0.000 0.964 83 T CA 0.625 62.725 62.100 -0.000 0.000 0.895 83 T CB 0.520 69.378 68.868 -0.016 0.000 1.163 83 T HN 0.315 nan 8.240 nan 0.000 0.517 84 G N 1.773 110.596 108.800 0.039 0.000 2.179 84 G HA2 -0.292 3.668 3.960 0.001 0.000 0.260 84 G HA3 -0.292 3.668 3.960 0.001 0.000 0.260 84 G C -0.113 174.840 174.900 0.088 0.000 0.977 84 G CA 0.343 45.514 45.100 0.118 0.000 0.641 84 G HN 0.940 nan 8.290 nan 0.000 0.533 85 E N 0.598 120.809 120.200 0.018 0.000 2.415 85 E HA 0.355 4.705 4.350 0.001 0.000 0.263 85 E C 0.129 176.706 176.600 -0.040 0.000 0.995 85 E CA -0.287 56.103 56.400 -0.018 0.000 0.915 85 E CB 0.571 30.258 29.700 -0.022 0.000 0.951 85 E HN 0.162 nan 8.360 nan 0.000 0.449 86 V N 6.445 126.252 119.914 -0.177 0.000 2.439 86 V HA 0.321 4.442 4.120 0.001 0.000 0.282 86 V C -0.727 175.340 176.094 -0.045 0.000 1.039 86 V CA -0.336 61.791 62.300 -0.287 0.000 0.913 86 V CB 0.367 31.825 31.823 -0.608 0.000 0.983 86 V HN 0.609 nan 8.190 nan 0.000 0.460 87 Y N 3.182 123.355 120.300 -0.212 0.000 2.571 87 Y HA 0.759 5.309 4.550 0.001 0.000 0.341 87 Y C -0.687 175.160 175.900 -0.087 0.000 1.076 87 Y CA -1.966 56.059 58.100 -0.126 0.000 1.029 87 Y CB 1.137 39.529 38.460 -0.114 0.000 1.308 87 Y HN 0.368 nan 8.280 nan 0.000 0.461 88 M N 2.156 121.809 119.600 0.087 0.000 2.245 88 M HA 0.177 4.657 4.480 0.001 0.000 0.330 88 M C 0.895 177.245 176.300 0.082 0.000 1.098 88 M CA 0.606 55.957 55.300 0.085 0.000 1.172 88 M CB 0.745 33.453 32.600 0.180 0.000 1.467 88 M HN 1.003 nan 8.290 nan 0.000 0.454 89 T N -3.416 111.182 114.554 0.074 0.000 3.023 89 T HA 0.159 4.510 4.350 0.001 0.000 0.253 89 T C 0.019 174.838 174.700 0.198 0.000 1.038 89 T CA -0.139 62.017 62.100 0.093 0.000 0.962 89 T CB 0.245 69.152 68.868 0.064 0.000 1.018 89 T HN 0.588 nan 8.240 nan 0.000 0.521 90 D N 1.412 121.955 120.400 0.238 0.000 2.323 90 D HA 0.244 4.885 4.640 0.001 0.000 0.242 90 D C 1.133 177.602 176.300 0.281 0.000 1.347 90 D CA 0.011 54.183 54.000 0.287 0.000 0.988 90 D CB 1.703 42.717 40.800 0.356 0.000 1.314 90 D HN 0.153 nan 8.370 nan 0.000 0.564 91 S N 3.223 119.080 115.700 0.261 0.000 2.382 91 S HA -0.140 4.331 4.470 0.001 0.000 0.228 91 S C 1.945 176.712 174.600 0.279 0.000 1.027 91 S CA 0.260 58.602 58.200 0.236 0.000 0.991 91 S CB -0.529 62.797 63.200 0.209 0.000 0.823 91 S HN 0.731 nan 8.310 nan 0.000 0.469 92 W N 2.495 123.891 121.300 0.160 0.000 2.354 92 W HA -0.096 4.565 4.660 0.001 0.000 0.315 92 W C 2.433 179.037 176.519 0.142 0.000 1.206 92 W CA 1.455 58.890 57.345 0.151 0.000 1.290 92 W CB -0.625 28.942 29.460 0.178 0.000 1.152 92 W HN 0.454 nan 8.180 nan 0.000 0.489 93 A N 0.825 123.713 122.820 0.114 0.000 1.898 93 A HA -0.199 4.122 4.320 0.001 0.000 0.216 93 A C 1.667 179.284 177.584 0.054 0.000 1.181 93 A CA 1.971 53.983 52.037 -0.042 0.000 0.620 93 A CB -0.996 18.080 19.000 0.127 0.000 0.819 93 A HN 0.286 nan 8.150 nan 0.000 0.442 94 D N -0.030 120.470 120.400 0.165 0.000 2.077 94 D HA -0.093 4.548 4.640 0.001 0.000 0.196 94 D C 1.764 178.063 176.300 -0.002 0.000 0.986 94 D CA 2.027 56.128 54.000 0.168 0.000 0.829 94 D CB -0.229 40.706 40.800 0.226 0.000 0.983 94 D HN 0.704 nan 8.370 nan 0.000 0.453 95 I N -3.358 117.211 120.570 -0.001 0.000 4.557 95 I HA 0.295 4.466 4.170 0.001 0.000 0.333 95 I C 1.060 177.200 176.117 0.038 0.000 1.332 95 I CA -0.085 61.177 61.300 -0.062 0.000 1.240 95 I CB 0.480 38.407 38.000 -0.121 0.000 1.312 95 I HN -0.244 nan 8.210 nan 0.000 0.457 96 E N 1.938 122.167 120.200 0.048 0.000 2.244 96 E HA 0.141 4.491 4.350 0.001 0.000 0.196 96 E C 0.572 177.115 176.600 -0.096 0.000 0.939 96 E CA -0.252 56.228 56.400 0.133 0.000 0.884 96 E CB 0.446 30.310 29.700 0.274 0.000 0.850 96 E HN 0.269 nan 8.360 nan 0.000 0.481 97 K N 1.738 121.722 120.400 -0.695 0.000 2.550 97 K HA -0.065 4.255 4.320 0.001 0.000 0.280 97 K C -0.712 175.565 176.600 -0.538 0.000 0.987 97 K CA 0.462 55.988 56.287 -1.269 0.000 1.048 97 K CB 0.336 31.863 32.500 -1.620 0.000 0.879 97 K HN 0.120 nan 8.250 nan 0.000 0.491 98 H N 2.607 121.304 119.070 -0.621 0.000 2.473 98 H HA 0.185 4.741 4.556 0.001 0.000 0.327 98 H C -0.944 174.068 175.328 -0.528 0.000 1.105 98 H CA -0.722 55.028 56.048 -0.496 0.000 1.280 98 H CB 0.764 30.246 29.762 -0.468 0.000 1.450 98 H HN 0.473 nan 8.280 nan 0.000 0.492 99 Y N 2.073 122.237 120.300 -0.227 0.000 2.587 99 Y HA 0.238 4.788 4.550 0.001 0.000 0.337 99 Y C -1.965 173.819 175.900 -0.193 0.000 1.065 99 Y CA -2.559 55.437 58.100 -0.173 0.000 1.126 99 Y CB 1.012 39.370 38.460 -0.171 0.000 1.279 99 Y HN 0.591 nan 8.280 nan 0.000 0.489 100 P HA 0.138 nan 4.420 nan 0.000 0.265 100 P C 0.432 177.694 177.300 -0.063 0.000 1.193 100 P CA 1.863 64.946 63.100 -0.028 0.000 0.765 100 P CB 0.458 32.155 31.700 -0.004 0.000 0.823 101 G N 1.660 110.398 108.800 -0.103 0.000 2.194 101 G HA2 -0.166 3.795 3.960 0.001 0.000 0.236 101 G HA3 -0.166 3.795 3.960 0.001 0.000 0.236 101 G C -0.225 174.577 174.900 -0.165 0.000 0.987 101 G CA -0.385 44.652 45.100 -0.106 0.000 0.635 101 G HN 0.514 nan 8.290 nan 0.000 0.520 102 D N 0.865 121.078 120.400 -0.312 0.000 2.225 102 D HA 0.607 5.248 4.640 0.001 0.000 0.248 102 D C 0.028 175.911 176.300 -0.695 0.000 1.096 102 D CA 0.659 54.307 54.000 -0.586 0.000 0.863 102 D CB 1.689 41.764 40.800 -1.208 0.000 1.156 102 D HN 0.264 nan 8.370 nan 0.000 0.450 103 S N 1.776 117.200 115.700 -0.459 0.000 2.548 103 S HA 0.278 4.749 4.470 0.001 0.000 0.286 103 S C -0.066 174.484 174.600 -0.083 0.000 1.098 103 S CA -0.874 57.148 58.200 -0.296 0.000 0.930 103 S CB 0.621 63.764 63.200 -0.095 0.000 1.070 103 S HN 0.587 nan 8.310 nan 0.000 0.480 104 W N 2.130 123.470 121.300 0.067 0.000 2.937 104 W HA 0.029 4.689 4.660 0.001 0.000 0.245 104 W C 2.380 178.942 176.519 0.072 0.000 1.306 104 W CA 0.231 57.617 57.345 0.068 0.000 1.470 104 W CB 0.104 29.583 29.460 0.031 0.000 1.132 104 W HN 0.890 nan 8.180 nan 0.000 0.675 105 S N -0.727 115.124 115.700 0.252 0.000 2.469 105 S HA -0.123 4.347 4.470 0.001 0.000 0.238 105 S C 0.380 175.078 174.600 0.163 0.000 0.998 105 S CA 0.561 58.861 58.200 0.167 0.000 0.957 105 S CB -0.462 62.798 63.200 0.101 0.000 0.764 105 S HN -0.003 nan 8.310 nan 0.000 0.514 106 D N 3.505 124.033 120.400 0.214 0.000 2.450 106 D HA 0.213 4.853 4.640 0.001 0.000 0.247 106 D C 0.744 177.152 176.300 0.181 0.000 1.162 106 D CA 0.550 54.664 54.000 0.189 0.000 0.879 106 D CB 1.178 42.128 40.800 0.250 0.000 1.163 106 D HN 0.551 nan 8.370 nan 0.000 0.472 107 T N -0.889 113.735 114.554 0.116 0.000 2.847 107 T HA 0.594 4.944 4.350 0.001 0.000 0.279 107 T C 0.936 175.685 174.700 0.083 0.000 0.984 107 T CA -0.044 62.111 62.100 0.092 0.000 0.988 107 T CB 1.527 70.430 68.868 0.059 0.000 1.040 107 T HN 0.597 nan 8.240 nan 0.000 0.528 108 G N 1.515 110.352 108.800 0.063 0.000 2.539 108 G HA2 -0.216 3.744 3.960 0.001 0.000 0.256 108 G HA3 -0.216 3.744 3.960 0.001 0.000 0.256 108 G C -0.353 174.593 174.900 0.076 0.000 1.233 108 G CA 0.028 45.158 45.100 0.050 0.000 0.936 108 G HN 1.134 nan 8.290 nan 0.000 0.571 109 N N 1.825 120.568 118.700 0.072 0.000 2.444 109 N HA 0.456 5.197 4.740 0.001 0.000 0.262 109 N C -0.596 175.043 175.510 0.214 0.000 0.974 109 N CA -0.477 52.647 53.050 0.123 0.000 0.933 109 N CB 0.265 38.776 38.487 0.040 0.000 1.137 109 N HN 0.583 nan 8.380 nan 0.000 0.498 110 N N 1.414 120.252 118.700 0.231 0.000 2.292 110 N HA 0.360 5.100 4.740 0.001 0.000 0.303 110 N C -1.456 173.889 175.510 -0.276 0.000 1.140 110 N CA -0.546 52.515 53.050 0.017 0.000 0.788 110 N CB 2.582 41.037 38.487 -0.054 0.000 1.361 110 N HN 0.197 nan 8.380 nan 0.000 0.489 111 V N 2.187 121.659 119.914 -0.737 0.000 2.459 111 V HA 0.482 4.603 4.120 0.001 0.000 0.295 111 V C -1.162 174.383 176.094 -0.916 0.000 1.029 111 V CA -0.108 61.656 62.300 -0.893 0.000 0.874 111 V CB 0.375 31.465 31.823 -1.222 0.000 0.985 111 V HN 0.625 nan 8.190 nan 0.000 0.438 112 Y N 4.361 124.542 120.300 -0.199 0.000 3.304 112 Y HA 0.815 5.365 4.550 0.001 0.000 0.302 112 Y C 1.415 177.222 175.900 -0.156 0.000 1.660 112 Y CA 0.338 58.344 58.100 -0.155 0.000 0.779 112 Y CB -0.218 38.189 38.460 -0.088 0.000 1.242 112 Y HN 0.909 nan 8.280 nan 0.000 0.741 113 G N 0.141 108.989 108.800 0.080 0.000 2.578 113 G HA2 -0.297 3.663 3.960 0.001 0.000 0.275 113 G HA3 -0.297 3.663 3.960 0.001 0.000 0.275 113 G C 0.810 175.747 174.900 0.062 0.000 1.271 113 G CA 0.001 45.100 45.100 -0.000 0.000 0.941 113 G HN 0.798 nan 8.290 nan 0.000 0.564 114 C N -0.011 119.285 119.300 -0.008 0.000 2.435 114 C HA 0.043 4.504 4.460 0.001 0.000 0.279 114 C C 2.987 177.758 174.990 -0.365 0.000 1.321 114 C CA 1.024 59.940 59.018 -0.172 0.000 1.752 114 C CB -1.348 26.371 27.740 -0.036 0.000 1.959 114 C HN 0.521 nan 8.230 nan 0.000 0.500 115 I N 1.763 122.112 120.570 -0.367 0.000 2.226 115 I HA -0.181 3.990 4.170 0.001 0.000 0.245 115 I C 2.551 178.438 176.117 -0.383 0.000 1.100 115 I CA 1.675 62.702 61.300 -0.455 0.000 1.374 115 I CB -1.211 36.521 38.000 -0.446 0.000 1.057 115 I HN 0.467 nan 8.210 nan 0.000 0.413 116 K N 0.450 120.659 120.400 -0.319 0.000 2.057 116 K HA -0.179 4.142 4.320 0.001 0.000 0.206 116 K C 2.053 178.527 176.600 -0.209 0.000 1.050 116 K CA 1.050 57.175 56.287 -0.271 0.000 0.935 116 K CB 0.086 32.431 32.500 -0.259 0.000 0.715 116 K HN 0.198 nan 8.250 nan 0.000 0.439 117 Q N 0.784 120.426 119.800 -0.262 0.000 2.124 117 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 117 Q C 2.218 178.034 176.000 -0.308 0.000 0.977 117 Q CA 1.202 56.810 55.803 -0.324 0.000 0.850 117 Q CB -0.193 28.242 28.738 -0.506 0.000 0.901 117 Q HN 0.401 nan 8.270 nan 0.000 0.429 118 L N -0.932 120.093 121.223 -0.330 0.000 2.072 118 L HA -0.171 4.170 4.340 0.001 0.000 0.205 118 L C 2.355 179.099 176.870 -0.210 0.000 1.079 118 L CA 1.063 55.725 54.840 -0.298 0.000 0.752 118 L CB -0.525 41.336 42.059 -0.330 0.000 0.906 118 L HN 0.148 nan 8.230 nan 0.000 0.436 119 Y N 0.637 120.757 120.300 -0.299 0.000 2.181 119 Y HA -0.250 4.300 4.550 0.001 0.000 0.288 119 Y C 2.349 178.143 175.900 -0.176 0.000 1.146 119 Y CA 1.481 59.436 58.100 -0.242 0.000 1.164 119 Y CB -0.111 38.179 38.460 -0.282 0.000 0.982 119 Y HN -0.002 nan 8.280 nan 0.000 0.515 120 L N -0.470 120.707 121.223 -0.076 0.000 2.042 120 L HA -0.289 4.052 4.340 0.001 0.000 0.210 120 L C 2.399 179.157 176.870 -0.188 0.000 1.076 120 L CA 1.350 56.120 54.840 -0.117 0.000 0.749 120 L CB -0.680 41.315 42.059 -0.106 0.000 0.893 120 L HN 0.324 nan 8.230 nan 0.000 0.432 121 L N -0.492 120.611 121.223 -0.200 0.000 2.083 121 L HA -0.223 4.118 4.340 0.001 0.000 0.209 121 L C 2.590 179.349 176.870 -0.186 0.000 1.083 121 L CA 1.348 56.081 54.840 -0.178 0.000 0.752 121 L CB -0.503 41.449 42.059 -0.177 0.000 0.899 121 L HN 0.230 nan 8.230 nan 0.000 0.433 122 K N 0.243 120.492 120.400 -0.251 0.000 2.147 122 K HA -0.173 4.148 4.320 0.001 0.000 0.205 122 K C 2.107 178.543 176.600 -0.272 0.000 1.049 122 K CA 1.222 57.353 56.287 -0.260 0.000 0.936 122 K CB -0.006 32.290 32.500 -0.341 0.000 0.722 122 K HN 0.290 nan 8.250 nan 0.000 0.446 123 K N 0.563 120.761 120.400 -0.336 0.000 2.103 123 K HA -0.131 4.190 4.320 0.001 0.000 0.204 123 K C 2.044 178.562 176.600 -0.135 0.000 1.052 123 K CA 1.149 57.294 56.287 -0.236 0.000 0.945 123 K CB 0.077 32.458 32.500 -0.199 0.000 0.722 123 K HN 0.121 nan 8.250 nan 0.000 0.443 124 Q N 0.204 119.928 119.800 -0.127 0.000 2.311 124 Q HA 0.046 4.387 4.340 0.001 0.000 0.203 124 Q C -0.305 175.655 176.000 -0.068 0.000 0.954 124 Q CA 0.622 56.374 55.803 -0.086 0.000 0.885 124 Q CB 0.431 29.119 28.738 -0.084 0.000 0.963 124 Q HN 0.216 nan 8.270 nan 0.000 0.471 125 N N 0.258 118.912 118.700 -0.077 0.000 2.640 125 N HA 0.165 4.906 4.740 0.001 0.000 0.262 125 N C -0.374 175.105 175.510 -0.052 0.000 1.174 125 N CA -0.268 52.754 53.050 -0.048 0.000 0.791 125 N CB 1.134 39.599 38.487 -0.036 0.000 1.279 125 N HN -0.045 nan 8.380 nan 0.000 0.535 126 R N 0.614 121.090 120.500 -0.041 0.000 2.293 126 R HA -0.064 4.276 4.340 0.001 0.000 0.219 126 R C 1.062 177.349 176.300 -0.023 0.000 1.091 126 R CA 0.746 56.824 56.100 -0.037 0.000 1.004 126 R CB -0.474 29.811 30.300 -0.026 0.000 0.865 126 R HN 0.486 nan 8.270 nan 0.000 0.469 127 N N 0.181 118.875 118.700 -0.011 0.000 2.336 127 N HA -0.018 4.723 4.740 0.001 0.000 0.189 127 N C -0.601 174.880 175.510 -0.048 0.000 1.113 127 N CA -0.031 53.016 53.050 -0.005 0.000 0.858 127 N CB 0.237 38.751 38.487 0.044 0.000 0.970 127 N HN -0.023 nan 8.380 nan 0.000 0.471 128 L N 1.132 122.322 121.223 -0.055 0.000 2.255 128 L HA 0.423 4.763 4.340 0.001 0.000 0.289 128 L C -0.753 176.064 176.870 -0.089 0.000 1.046 128 L CA -0.426 54.365 54.840 -0.082 0.000 0.816 128 L CB 0.531 42.556 42.059 -0.056 0.000 1.197 128 L HN -0.166 nan 8.230 nan 0.000 0.427 129 K N 3.174 123.482 120.400 -0.154 0.000 2.110 129 K HA 0.668 4.988 4.320 0.001 0.000 0.263 129 K C -1.159 175.467 176.600 0.043 0.000 0.975 129 K CA -0.382 55.875 56.287 -0.050 0.000 0.895 129 K CB 1.931 34.380 32.500 -0.086 0.000 1.060 129 K HN 0.370 nan 8.250 nan 0.000 0.448 130 V N 4.405 124.392 119.914 0.123 0.000 2.444 130 V HA 0.416 4.536 4.120 0.001 0.000 0.294 130 V C -0.947 175.299 176.094 0.253 0.000 1.022 130 V CA -0.903 61.498 62.300 0.168 0.000 0.850 130 V CB 1.111 33.020 31.823 0.143 0.000 0.992 130 V HN 0.469 nan 8.190 nan 0.000 0.426 131 L N 4.772 126.080 121.223 0.143 0.000 2.322 131 L HA 0.632 4.973 4.340 0.001 0.000 0.269 131 L C -0.462 176.247 176.870 -0.269 0.000 1.012 131 L CA -0.567 54.272 54.840 -0.003 0.000 0.815 131 L CB 1.702 43.779 42.059 0.030 0.000 1.295 131 L HN 0.557 nan 8.230 nan 0.000 0.438 132 L N 0.866 121.734 121.223 -0.592 0.000 2.275 132 L HA 0.579 4.919 4.340 0.001 0.000 0.288 132 L C 0.026 176.810 176.870 -0.143 0.000 1.046 132 L CA 0.421 54.871 54.840 -0.651 0.000 0.805 132 L CB 1.391 42.854 42.059 -0.993 0.000 1.193 132 L HN 0.579 nan 8.230 nan 0.000 0.426 133 S N 5.723 121.461 115.700 0.064 0.000 2.457 133 S HA 0.639 5.109 4.470 0.001 0.000 0.289 133 S C -0.384 174.458 174.600 0.403 0.000 1.163 133 S CA -0.612 57.777 58.200 0.314 0.000 1.078 133 S CB 0.142 63.673 63.200 0.552 0.000 0.987 133 S HN 0.547 nan 8.310 nan 0.000 0.482 134 I N 5.096 125.885 120.570 0.364 0.000 2.339 134 I HA 0.632 4.802 4.170 0.001 0.000 0.290 134 I C 0.981 177.326 176.117 0.380 0.000 0.994 134 I CA -0.010 61.469 61.300 0.299 0.000 1.191 134 I CB 1.172 39.325 38.000 0.256 0.000 1.343 134 I HN 0.965 nan 8.210 nan 0.000 0.458 135 G N 4.186 113.067 108.800 0.136 0.000 2.436 135 G HA2 0.344 4.305 3.960 0.001 0.000 0.205 135 G HA3 0.344 4.305 3.960 0.001 0.000 0.205 135 G C 0.010 174.450 174.900 -0.768 0.000 1.188 135 G CA 0.057 45.137 45.100 -0.033 0.000 1.267 135 G HN 1.516 nan 8.290 nan 0.000 0.536 136 G N -1.803 106.429 108.800 -0.947 0.000 2.663 136 G HA2 0.243 4.203 3.960 0.001 0.000 0.686 136 G HA3 0.243 4.203 3.960 0.001 0.000 0.686 136 G C 0.470 174.941 174.900 -0.714 0.000 1.288 136 G CA 0.741 44.913 45.100 -1.546 0.000 0.836 136 G HN 2.304 nan 8.290 nan 0.000 0.584 137 W N -0.944 120.074 121.300 -0.471 0.000 2.363 137 W HA 0.103 4.764 4.660 0.001 0.000 0.296 137 W C 2.105 178.434 176.519 -0.317 0.000 1.212 137 W CA 2.396 59.542 57.345 -0.332 0.000 1.260 137 W CB -0.998 28.305 29.460 -0.261 0.000 1.131 137 W HN 0.626 nan 8.180 nan 0.000 0.530 138 T N 0.729 114.691 114.554 -0.987 0.000 2.737 138 T HA -0.233 4.118 4.350 0.001 0.000 0.265 138 T C 1.316 175.689 174.700 -0.545 0.000 1.038 138 T CA 1.824 63.469 62.100 -0.758 0.000 1.144 138 T CB -0.579 67.615 68.868 -1.124 0.000 0.866 138 T HN 0.165 nan 8.240 nan 0.000 0.434 139 Y N 1.182 121.216 120.300 -0.444 0.000 2.523 139 Y HA 0.282 4.833 4.550 0.001 0.000 0.279 139 Y C 2.686 178.339 175.900 -0.412 0.000 1.139 139 Y CA -0.837 57.018 58.100 -0.409 0.000 1.296 139 Y CB -0.833 37.342 38.460 -0.474 0.000 1.045 139 Y HN 0.098 nan 8.280 nan 0.000 0.538 140 S N 0.738 116.329 115.700 -0.181 0.000 2.420 140 S HA -0.141 4.329 4.470 0.001 0.000 0.237 140 S C -0.630 173.902 174.600 -0.113 0.000 1.023 140 S CA 1.322 59.488 58.200 -0.057 0.000 0.991 140 S CB -0.990 62.243 63.200 0.054 0.000 0.792 140 S HN 0.368 nan 8.310 nan 0.000 0.488 141 P HA 0.032 nan 4.420 nan 0.000 0.228 141 P C 0.697 177.904 177.300 -0.154 0.000 1.151 141 P CA 0.756 63.808 63.100 -0.079 0.000 0.770 141 P CB -0.042 31.629 31.700 -0.048 0.000 0.786 142 N N -1.948 116.588 118.700 -0.274 0.000 2.422 142 N HA 0.051 4.791 4.740 0.001 0.000 0.181 142 N C 1.170 176.414 175.510 -0.443 0.000 1.080 142 N CA 0.459 53.318 53.050 -0.318 0.000 0.893 142 N CB -0.508 37.778 38.487 -0.335 0.000 0.973 142 N HN 0.151 nan 8.380 nan 0.000 0.456 143 F N 1.980 121.563 119.950 -0.611 0.000 2.084 143 F HA -0.029 4.498 4.527 0.001 0.000 0.296 143 F C 2.450 177.714 175.800 -0.894 0.000 1.111 143 F CA 0.914 58.270 58.000 -1.074 0.000 1.224 143 F CB -0.849 36.721 39.000 -2.384 0.000 0.991 143 F HN -0.001 nan 8.300 nan 0.000 0.471 144 A N 0.858 123.445 122.820 -0.387 0.000 1.859 144 A HA -0.194 4.127 4.320 0.001 0.000 0.217 144 A C 0.006 177.570 177.584 -0.033 0.000 1.198 144 A CA 2.214 54.237 52.037 -0.022 0.000 0.629 144 A CB -2.266 16.822 19.000 0.146 0.000 0.830 144 A HN 0.276 nan 8.150 nan 0.000 0.446 145 P HA -0.136 nan 4.420 nan 0.000 0.215 145 P C 1.626 178.901 177.300 -0.042 0.000 1.157 145 P CA 2.028 65.108 63.100 -0.034 0.000 0.863 145 P CB -0.266 31.409 31.700 -0.041 0.000 0.787 146 A N 0.560 123.330 122.820 -0.084 0.000 1.940 146 A HA -0.042 4.278 4.320 0.001 0.000 0.219 146 A C 2.357 179.927 177.584 -0.024 0.000 1.176 146 A CA 2.143 54.152 52.037 -0.047 0.000 0.631 146 A CB -1.417 17.549 19.000 -0.057 0.000 0.814 146 A HN 0.274 nan 8.150 nan 0.000 0.446 147 A N -0.126 122.659 122.820 -0.058 0.000 2.275 147 A HA 0.242 4.563 4.320 0.001 0.000 0.212 147 A C 2.079 179.690 177.584 0.045 0.000 1.201 147 A CA 1.123 53.151 52.037 -0.014 0.000 0.843 147 A CB -0.589 18.410 19.000 -0.002 0.000 0.873 147 A HN 0.851 nan 8.150 nan 0.000 0.492 148 S N -0.141 115.582 115.700 0.039 0.000 2.481 148 S HA -0.001 4.469 4.470 0.001 0.000 0.231 148 S C 0.973 175.600 174.600 0.046 0.000 0.996 148 S CA 0.978 59.210 58.200 0.054 0.000 0.942 148 S CB -0.789 62.438 63.200 0.045 0.000 0.768 148 S HN 0.786 nan 8.310 nan 0.000 0.520 149 T N -1.947 112.631 114.554 0.039 0.000 2.907 149 T HA 0.487 4.837 4.350 0.001 0.000 0.292 149 T C 0.191 174.917 174.700 0.043 0.000 1.043 149 T CA -0.351 61.772 62.100 0.038 0.000 1.003 149 T CB 1.807 70.693 68.868 0.031 0.000 1.084 149 T HN -0.027 nan 8.240 nan 0.000 0.483 150 D N 1.440 121.866 120.400 0.043 0.000 2.144 150 D HA -0.048 4.593 4.640 0.001 0.000 0.199 150 D C 2.201 178.531 176.300 0.049 0.000 0.984 150 D CA 1.777 55.805 54.000 0.046 0.000 0.834 150 D CB -0.320 40.505 40.800 0.042 0.000 0.955 150 D HN 0.728 nan 8.370 nan 0.000 0.465 151 A N 0.062 122.908 122.820 0.043 0.000 1.877 151 A HA 0.045 4.365 4.320 0.001 0.000 0.216 151 A C 2.387 180.005 177.584 0.055 0.000 1.186 151 A CA 1.913 53.977 52.037 0.044 0.000 0.620 151 A CB -1.390 17.630 19.000 0.033 0.000 0.822 151 A HN 0.369 nan 8.150 nan 0.000 0.443 152 G N -0.380 108.452 108.800 0.053 0.000 2.459 152 G HA2 -0.250 3.710 3.960 0.001 0.000 0.217 152 G HA3 -0.250 3.710 3.960 0.001 0.000 0.217 152 G C 1.768 176.732 174.900 0.105 0.000 1.183 152 G CA 0.957 46.097 45.100 0.067 0.000 0.776 152 G HN 0.575 nan 8.290 nan 0.000 0.552 153 R N 0.404 120.951 120.500 0.079 0.000 2.081 153 R HA -0.025 4.316 4.340 0.001 0.000 0.235 153 R C 2.653 179.033 176.300 0.134 0.000 1.131 153 R CA 1.445 57.592 56.100 0.079 0.000 0.960 153 R CB -0.276 30.052 30.300 0.046 0.000 0.856 153 R HN 0.305 nan 8.270 nan 0.000 0.436 154 K N 0.175 120.640 120.400 0.108 0.000 2.097 154 K HA -0.123 4.197 4.320 0.001 0.000 0.205 154 K C 1.835 178.510 176.600 0.125 0.000 1.050 154 K CA 1.328 57.680 56.287 0.109 0.000 0.938 154 K CB -0.157 32.389 32.500 0.078 0.000 0.718 154 K HN 0.053 nan 8.250 nan 0.000 0.442 155 N N 0.610 119.382 118.700 0.120 0.000 2.270 155 N HA -0.138 4.603 4.740 0.001 0.000 0.181 155 N C 1.469 177.063 175.510 0.140 0.000 1.016 155 N CA 0.706 53.816 53.050 0.101 0.000 0.870 155 N CB -0.112 38.417 38.487 0.071 0.000 0.979 155 N HN 0.076 nan 8.380 nan 0.000 0.431 156 F N 1.162 121.126 119.950 0.024 0.000 2.069 156 F HA -0.061 4.466 4.527 0.001 0.000 0.298 156 F C 2.135 177.958 175.800 0.037 0.000 1.113 156 F CA 1.664 59.680 58.000 0.027 0.000 1.214 156 F CB -0.832 38.192 39.000 0.040 0.000 0.978 156 F HN 0.095 nan 8.300 nan 0.000 0.474 157 A N 0.259 123.342 122.820 0.439 0.000 1.883 157 A HA -0.257 4.063 4.320 0.001 0.000 0.217 157 A C 2.356 180.016 177.584 0.126 0.000 1.186 157 A CA 2.020 54.232 52.037 0.290 0.000 0.624 157 A CB -0.950 18.182 19.000 0.220 0.000 0.822 157 A HN 0.497 nan 8.150 nan 0.000 0.444 158 K N -0.492 119.967 120.400 0.097 0.000 2.057 158 K HA -0.156 4.165 4.320 0.001 0.000 0.206 158 K C 2.152 178.753 176.600 0.002 0.000 1.050 158 K CA 2.040 58.357 56.287 0.050 0.000 0.935 158 K CB -0.348 32.182 32.500 0.050 0.000 0.715 158 K HN 0.641 nan 8.250 nan 0.000 0.439 159 T N -1.474 113.068 114.554 -0.021 0.000 2.857 159 T HA 0.024 4.374 4.350 0.001 0.000 0.266 159 T C 2.063 176.703 174.700 -0.101 0.000 1.048 159 T CA 0.882 62.945 62.100 -0.062 0.000 1.139 159 T CB -0.308 68.516 68.868 -0.074 0.000 0.874 159 T HN 0.242 nan 8.240 nan 0.000 0.455 160 A N 1.184 123.910 122.820 -0.156 0.000 1.902 160 A HA 0.087 4.407 4.320 0.001 0.000 0.217 160 A C 2.605 180.133 177.584 -0.093 0.000 1.181 160 A CA 1.468 53.405 52.037 -0.166 0.000 0.623 160 A CB -1.084 17.788 19.000 -0.214 0.000 0.818 160 A HN 0.398 nan 8.150 nan 0.000 0.443 161 V N 0.262 120.130 119.914 -0.076 0.000 2.515 161 V HA -0.206 3.914 4.120 0.001 0.000 0.250 161 V C 2.553 178.526 176.094 -0.202 0.000 1.058 161 V CA 2.307 64.521 62.300 -0.143 0.000 1.064 161 V CB -0.557 31.216 31.823 -0.084 0.000 0.675 161 V HN 0.623 nan 8.190 nan 0.000 0.461 162 K N 0.747 121.078 120.400 -0.114 0.000 2.057 162 K HA -0.128 4.193 4.320 0.001 0.000 0.207 162 K C 1.863 178.411 176.600 -0.087 0.000 1.049 162 K CA 1.721 57.949 56.287 -0.098 0.000 0.931 162 K CB -0.615 31.854 32.500 -0.052 0.000 0.714 162 K HN 0.421 nan 8.250 nan 0.000 0.440 163 L N 0.244 121.442 121.223 -0.042 0.000 2.093 163 L HA -0.117 4.223 4.340 0.001 0.000 0.208 163 L C 2.463 179.364 176.870 0.052 0.000 1.085 163 L CA 1.043 55.907 54.840 0.039 0.000 0.755 163 L CB -0.445 41.671 42.059 0.095 0.000 0.904 163 L HN 0.236 nan 8.230 nan 0.000 0.435 164 L N 0.104 121.331 121.223 0.006 0.000 2.046 164 L HA -0.255 4.086 4.340 0.001 0.000 0.208 164 L C 2.838 179.574 176.870 -0.223 0.000 1.077 164 L CA 1.563 56.388 54.840 -0.025 0.000 0.747 164 L CB -0.304 41.651 42.059 -0.173 0.000 0.896 164 L HN 0.394 nan 8.230 nan 0.000 0.432 165 Q N -1.441 118.166 119.800 -0.322 0.000 2.224 165 Q HA -0.199 4.141 4.340 0.001 0.000 0.203 165 Q C 1.170 177.148 176.000 -0.038 0.000 0.970 165 Q CA 1.637 57.321 55.803 -0.199 0.000 0.865 165 Q CB -0.222 28.331 28.738 -0.308 0.000 0.922 165 Q HN 0.481 nan 8.270 nan 0.000 0.445 166 D N 1.040 121.375 120.400 -0.108 0.000 2.201 166 D HA 0.058 4.699 4.640 0.001 0.000 0.209 166 D C 1.758 177.981 176.300 -0.128 0.000 0.961 166 D CA 0.791 54.752 54.000 -0.064 0.000 0.861 166 D CB 0.215 41.006 40.800 -0.014 0.000 0.997 166 D HN 0.278 nan 8.370 nan 0.000 0.486 167 L N -0.491 120.529 121.223 -0.338 0.000 2.592 167 L HA 0.294 4.634 4.340 0.001 0.000 0.227 167 L C 1.042 177.264 176.870 -1.080 0.000 1.127 167 L CA 0.174 54.618 54.840 -0.660 0.000 0.884 167 L CB 0.133 41.778 42.059 -0.691 0.000 1.065 167 L HN 0.044 nan 8.230 nan 0.000 0.457 168 G N 0.264 108.343 108.800 -1.203 0.000 2.212 168 G HA2 -0.274 3.687 3.960 0.001 0.000 0.255 168 G HA3 -0.274 3.687 3.960 0.001 0.000 0.255 168 G C -0.104 174.234 174.900 -0.936 0.000 1.062 168 G CA -0.393 43.731 45.100 -1.627 0.000 0.815 168 G HN 0.108 nan 8.290 nan 0.000 0.497 169 F N 0.069 119.796 119.950 -0.372 0.000 2.370 169 F HA 0.455 4.982 4.527 0.001 0.000 0.324 169 F C 1.337 177.192 175.800 0.093 0.000 1.116 169 F CA -1.020 56.919 58.000 -0.102 0.000 1.123 169 F CB 0.763 39.699 39.000 -0.107 0.000 1.238 169 F HN 0.015 nan 8.300 nan 0.000 0.536 170 D N 0.328 120.960 120.400 0.388 0.000 2.369 170 D HA 0.294 4.934 4.640 0.001 0.000 0.211 170 D C 0.792 177.341 176.300 0.413 0.000 1.077 170 D CA 0.518 54.797 54.000 0.465 0.000 0.842 170 D CB 0.846 41.858 40.800 0.354 0.000 0.947 170 D HN 0.676 nan 8.370 nan 0.000 0.509 171 G N 0.135 109.075 108.800 0.234 0.000 2.317 171 G HA2 0.392 4.352 3.960 0.001 0.000 0.293 171 G HA3 0.392 4.352 3.960 0.001 0.000 0.293 171 G C -2.047 172.868 174.900 0.025 0.000 1.287 171 G CA -0.860 44.320 45.100 0.134 0.000 0.850 171 G HN 0.028 nan 8.290 nan 0.000 0.515 172 L N 0.071 121.298 121.223 0.007 0.000 2.401 172 L HA 0.655 4.996 4.340 0.001 0.000 0.266 172 L C -1.366 175.509 176.870 0.009 0.000 0.991 172 L CA -0.830 54.005 54.840 -0.008 0.000 0.818 172 L CB 2.530 44.613 42.059 0.040 0.000 1.321 172 L HN 0.657 nan 8.230 nan 0.000 0.413 173 D N 2.188 122.621 120.400 0.054 0.000 2.502 173 D HA 0.517 5.158 4.640 0.001 0.000 0.249 173 D C -1.088 175.344 176.300 0.220 0.000 1.092 173 D CA -0.358 53.701 54.000 0.097 0.000 0.839 173 D CB 1.342 42.225 40.800 0.138 0.000 1.264 173 D HN 0.138 nan 8.370 nan 0.000 0.511 174 I N 3.257 123.958 120.570 0.218 0.000 2.339 174 I HA 0.262 4.433 4.170 0.001 0.000 0.290 174 I C -0.226 176.051 176.117 0.266 0.000 0.994 174 I CA -0.733 60.743 61.300 0.294 0.000 1.191 174 I CB 1.128 39.310 38.000 0.303 0.000 1.343 174 I HN 0.456 nan 8.210 nan 0.000 0.458 175 D N 7.278 127.842 120.400 0.275 0.000 2.460 175 D HA 0.102 4.742 4.640 0.001 0.000 0.268 175 D C -1.187 175.167 176.300 0.090 0.000 1.153 175 D CA -0.281 53.847 54.000 0.213 0.000 0.929 175 D CB 0.441 41.415 40.800 0.290 0.000 1.015 175 D HN 0.373 nan 8.370 nan 0.000 0.502 176 W N 3.988 125.057 121.300 -0.386 0.000 2.291 176 W HA 0.406 5.066 4.660 0.001 0.000 0.312 176 W C -0.909 175.364 176.519 -0.409 0.000 1.061 176 W CA -1.073 55.879 57.345 -0.655 0.000 1.296 176 W CB 0.467 29.033 29.460 -1.490 0.000 1.223 176 W HN 0.253 nan 8.180 nan 0.000 0.421 177 E N 6.465 126.636 120.200 -0.048 0.000 2.173 177 E HA 0.271 4.621 4.350 0.001 0.000 0.249 177 E C -1.494 174.923 176.600 -0.305 0.000 0.923 177 E CA -0.325 55.560 56.400 -0.857 0.000 0.754 177 E CB 0.951 30.085 29.700 -0.944 0.000 1.177 177 E HN 0.270 nan 8.360 nan 0.000 0.430 178 Y N 0.224 120.661 120.300 0.227 0.000 2.609 178 Y HA 0.289 4.839 4.550 0.001 0.000 0.336 178 Y C -2.490 173.293 175.900 -0.194 0.000 1.129 178 Y CA -2.867 55.226 58.100 -0.011 0.000 1.040 178 Y CB 1.220 39.652 38.460 -0.047 0.000 1.310 178 Y HN 0.290 nan 8.280 nan 0.000 0.460 179 P HA 0.063 nan 4.420 nan 0.000 0.262 179 P C -0.120 177.101 177.300 -0.131 0.000 1.182 179 P CA 0.553 63.295 63.100 -0.597 0.000 0.761 179 P CB 0.662 31.906 31.700 -0.760 0.000 0.795 180 E N 1.664 121.864 120.200 0.000 0.000 2.415 180 E HA 0.005 4.355 4.350 0.001 0.000 0.197 180 E C 0.371 176.978 176.600 0.011 0.000 1.007 180 E CA 0.327 56.750 56.400 0.039 0.000 0.890 180 E CB 0.127 29.885 29.700 0.096 0.000 0.891 180 E HN 0.583 nan 8.360 nan 0.000 0.496 181 N N -1.437 117.259 118.700 -0.007 0.000 3.039 181 N HA 0.027 4.768 4.740 0.001 0.000 0.257 181 N C -0.192 175.299 175.510 -0.030 0.000 1.497 181 N CA -0.586 52.463 53.050 -0.003 0.000 0.861 181 N CB 0.393 38.895 38.487 0.026 0.000 1.479 181 N HN -0.294 nan 8.380 nan 0.000 0.547 182 D N -1.122 119.280 120.400 0.003 0.000 2.144 182 D HA -0.181 4.460 4.640 0.001 0.000 0.199 182 D C 1.475 177.774 176.300 -0.002 0.000 0.984 182 D CA 1.527 55.537 54.000 0.018 0.000 0.834 182 D CB 0.230 41.089 40.800 0.099 0.000 0.955 182 D HN 0.571 nan 8.370 nan 0.000 0.465 183 Q N 0.324 120.141 119.800 0.028 0.000 2.050 183 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 183 Q C 2.069 178.092 176.000 0.038 0.000 0.980 183 Q CA 1.659 57.489 55.803 0.045 0.000 0.840 183 Q CB -0.238 28.535 28.738 0.059 0.000 0.898 183 Q HN 0.414 nan 8.270 nan 0.000 0.424 184 Q N -0.764 119.057 119.800 0.036 0.000 2.084 184 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 184 Q C 2.037 177.971 176.000 -0.111 0.000 0.978 184 Q CA 1.330 57.171 55.803 0.063 0.000 0.844 184 Q CB -0.283 28.513 28.738 0.097 0.000 0.898 184 Q HN 0.511 nan 8.270 nan 0.000 0.426 185 A N 1.502 124.182 122.820 -0.232 0.000 1.902 185 A HA -0.223 4.097 4.320 0.001 0.000 0.217 185 A C 1.812 179.185 177.584 -0.352 0.000 1.181 185 A CA 1.570 53.362 52.037 -0.408 0.000 0.623 185 A CB -0.480 18.098 19.000 -0.704 0.000 0.818 185 A HN 0.299 nan 8.150 nan 0.000 0.443 186 N N 0.383 118.949 118.700 -0.224 0.000 2.142 186 N HA -0.124 4.617 4.740 0.001 0.000 0.186 186 N C 1.091 176.641 175.510 0.067 0.000 1.023 186 N CA 1.527 54.581 53.050 0.005 0.000 0.852 186 N CB -0.448 38.103 38.487 0.105 0.000 0.998 186 N HN 0.423 nan 8.380 nan 0.000 0.424 187 D N 0.394 120.849 120.400 0.092 0.000 2.144 187 D HA -0.128 4.513 4.640 0.001 0.000 0.199 187 D C 1.693 178.132 176.300 0.231 0.000 0.984 187 D CA 0.392 54.483 54.000 0.152 0.000 0.834 187 D CB -0.357 40.554 40.800 0.185 0.000 0.955 187 D HN 0.131 nan 8.370 nan 0.000 0.465 188 F N 1.618 121.580 119.950 0.019 0.000 2.102 188 F HA -0.166 4.361 4.527 0.001 0.000 0.298 188 F C 2.230 177.998 175.800 -0.052 0.000 1.105 188 F CA 0.529 58.524 58.000 -0.008 0.000 1.239 188 F CB -0.720 38.094 39.000 -0.310 0.000 0.991 188 F HN -0.207 nan 8.300 nan 0.000 0.474 189 V N 0.781 120.741 119.914 0.075 0.000 2.287 189 V HA -0.323 3.797 4.120 0.001 0.000 0.248 189 V C 2.677 178.797 176.094 0.043 0.000 1.053 189 V CA 1.935 64.227 62.300 -0.014 0.000 1.027 189 V CB -0.822 31.014 31.823 0.022 0.000 0.646 189 V HN 0.307 nan 8.190 nan 0.000 0.447 190 L N -0.824 120.446 121.223 0.078 0.000 2.042 190 L HA -0.209 4.131 4.340 0.001 0.000 0.210 190 L C 2.476 179.386 176.870 0.066 0.000 1.076 190 L CA 1.332 56.214 54.840 0.070 0.000 0.749 190 L CB -0.667 41.437 42.059 0.074 0.000 0.893 190 L HN 0.358 nan 8.230 nan 0.000 0.432 191 L N -0.040 121.234 121.223 0.086 0.000 2.017 191 L HA -0.208 4.133 4.340 0.001 0.000 0.208 191 L C 2.348 179.238 176.870 0.034 0.000 1.073 191 L CA 1.735 56.590 54.840 0.026 0.000 0.745 191 L CB -0.462 41.584 42.059 -0.021 0.000 0.894 191 L HN 0.091 nan 8.230 nan 0.000 0.432 192 L N -0.467 120.794 121.223 0.063 0.000 2.042 192 L HA -0.235 4.105 4.340 0.001 0.000 0.210 192 L C 2.623 179.510 176.870 0.028 0.000 1.076 192 L CA 1.632 56.484 54.840 0.020 0.000 0.749 192 L CB -0.674 41.329 42.059 -0.094 0.000 0.893 192 L HN 0.300 nan 8.230 nan 0.000 0.432 193 K N 0.297 120.715 120.400 0.030 0.000 2.057 193 K HA -0.186 4.134 4.320 0.001 0.000 0.207 193 K C 1.980 178.619 176.600 0.064 0.000 1.049 193 K CA 1.357 57.670 56.287 0.043 0.000 0.931 193 K CB -0.081 32.444 32.500 0.042 0.000 0.714 193 K HN 0.134 nan 8.250 nan 0.000 0.440 194 E N 0.103 120.345 120.200 0.070 0.000 2.077 194 E HA -0.113 4.237 4.350 0.001 0.000 0.193 194 E C 2.086 178.755 176.600 0.114 0.000 0.989 194 E CA 1.323 57.777 56.400 0.089 0.000 0.800 194 E CB -0.313 29.442 29.700 0.092 0.000 0.746 194 E HN 0.186 nan 8.360 nan 0.000 0.452 195 V N 1.308 121.297 119.914 0.126 0.000 2.358 195 V HA -0.214 3.907 4.120 0.001 0.000 0.246 195 V C 2.496 178.667 176.094 0.127 0.000 1.047 195 V CA 1.673 64.068 62.300 0.159 0.000 1.035 195 V CB -0.483 31.459 31.823 0.200 0.000 0.658 195 V HN 0.102 nan 8.190 nan 0.000 0.452 196 R N 0.851 121.412 120.500 0.101 0.000 2.083 196 R HA -0.152 4.189 4.340 0.001 0.000 0.237 196 R C 2.305 178.675 176.300 0.117 0.000 1.137 196 R CA 2.506 58.666 56.100 0.100 0.000 0.951 196 R CB -1.275 29.073 30.300 0.079 0.000 0.851 196 R HN 0.510 nan 8.270 nan 0.000 0.434 197 T N 0.318 114.936 114.554 0.106 0.000 2.708 197 T HA -0.124 4.226 4.350 0.001 0.000 0.266 197 T C 1.790 176.565 174.700 0.125 0.000 1.037 197 T CA 1.601 63.764 62.100 0.106 0.000 1.146 197 T CB -0.574 68.347 68.868 0.089 0.000 0.865 197 T HN 0.444 nan 8.240 nan 0.000 0.435 198 A N 1.099 123.997 122.820 0.130 0.000 1.902 198 A HA 0.009 4.329 4.320 0.001 0.000 0.217 198 A C 2.315 180.012 177.584 0.189 0.000 1.181 198 A CA 1.210 53.334 52.037 0.145 0.000 0.623 198 A CB -0.854 18.224 19.000 0.130 0.000 0.818 198 A HN 0.475 nan 8.150 nan 0.000 0.443 199 L N -0.524 120.813 121.223 0.191 0.000 2.046 199 L HA -0.190 4.151 4.340 0.001 0.000 0.208 199 L C 2.105 179.183 176.870 0.347 0.000 1.077 199 L CA 1.427 56.429 54.840 0.271 0.000 0.747 199 L CB -0.599 41.600 42.059 0.233 0.000 0.896 199 L HN 0.318 nan 8.230 nan 0.000 0.432 200 D N -0.501 120.039 120.400 0.234 0.000 2.097 200 D HA -0.129 4.511 4.640 0.001 0.000 0.197 200 D C 2.391 178.789 176.300 0.165 0.000 0.984 200 D CA 1.388 55.502 54.000 0.190 0.000 0.826 200 D CB -0.106 40.779 40.800 0.142 0.000 0.973 200 D HN 0.154 nan 8.370 nan 0.000 0.460 201 S N 0.231 116.024 115.700 0.156 0.000 2.353 201 S HA -0.220 4.250 4.470 0.001 0.000 0.222 201 S C 1.912 176.587 174.600 0.126 0.000 1.035 201 S CA 1.018 59.291 58.200 0.122 0.000 1.025 201 S CB -0.645 62.627 63.200 0.121 0.000 0.902 201 S HN 0.360 nan 8.310 nan 0.000 0.440 202 Y N 2.135 122.503 120.300 0.114 0.000 2.151 202 Y HA -0.193 4.357 4.550 0.001 0.000 0.284 202 Y C 2.748 178.754 175.900 0.176 0.000 1.166 202 Y CA 1.575 59.747 58.100 0.120 0.000 1.163 202 Y CB -0.777 37.742 38.460 0.099 0.000 0.974 202 Y HN 0.258 nan 8.280 nan 0.000 0.511 203 S N -0.100 115.667 115.700 0.111 0.000 2.368 203 S HA -0.156 4.314 4.470 0.001 0.000 0.224 203 S C 2.302 176.849 174.600 -0.088 0.000 1.029 203 S CA 1.180 59.414 58.200 0.057 0.000 0.988 203 S CB -0.894 62.402 63.200 0.160 0.000 0.838 203 S HN 0.666 nan 8.310 nan 0.000 0.462 204 A N 1.350 124.149 122.820 -0.034 0.000 1.892 204 A HA 0.058 4.379 4.320 0.001 0.000 0.218 204 A C 2.435 179.972 177.584 -0.078 0.000 1.188 204 A CA 2.131 54.145 52.037 -0.039 0.000 0.631 204 A CB -1.359 17.640 19.000 -0.003 0.000 0.822 204 A HN 0.773 nan 8.150 nan 0.000 0.447 205 A N -0.708 122.045 122.820 -0.112 0.000 1.930 205 A HA -0.019 4.301 4.320 0.001 0.000 0.215 205 A C 1.487 178.957 177.584 -0.190 0.000 1.176 205 A CA 1.569 53.531 52.037 -0.125 0.000 0.632 205 A CB -0.302 18.644 19.000 -0.090 0.000 0.819 205 A HN 0.636 nan 8.150 nan 0.000 0.445 206 N N -1.997 116.484 118.700 -0.365 0.000 2.160 206 N HA 0.443 5.184 4.740 0.001 0.000 0.226 206 N C 0.145 175.493 175.510 -0.269 0.000 1.256 206 N CA 0.637 53.478 53.050 -0.349 0.000 0.890 206 N CB 1.245 39.457 38.487 -0.457 0.000 1.116 206 N HN 0.345 nan 8.380 nan 0.000 0.517 207 A N 0.110 122.804 122.820 -0.210 0.000 2.622 207 A HA 0.599 4.919 4.320 0.001 0.000 0.283 207 A C 1.088 178.603 177.584 -0.115 0.000 0.998 207 A CA 0.026 51.998 52.037 -0.108 0.000 0.985 207 A CB -0.346 18.681 19.000 0.046 0.000 1.236 207 A HN 0.136 nan 8.150 nan 0.000 0.559 208 G N -0.330 108.408 108.800 -0.103 0.000 2.356 208 G HA2 0.133 4.094 3.960 0.001 0.000 0.296 208 G HA3 0.133 4.094 3.960 0.001 0.000 0.296 208 G C 1.593 176.443 174.900 -0.082 0.000 1.022 208 G CA 1.113 46.165 45.100 -0.080 0.000 0.961 208 G HN 2.220 nan 8.290 nan 0.000 0.510 209 G N -1.540 107.208 108.800 -0.088 0.000 2.184 209 G HA2 -0.162 3.799 3.960 0.001 0.000 0.264 209 G HA3 -0.162 3.799 3.960 0.001 0.000 0.264 209 G C 0.546 175.370 174.900 -0.127 0.000 0.975 209 G CA 1.238 46.293 45.100 -0.075 0.000 0.642 209 G HN 1.964 nan 8.290 nan 0.000 0.536 210 Q N 0.312 119.973 119.800 -0.231 0.000 2.348 210 Q HA 0.216 4.557 4.340 0.001 0.000 0.331 210 Q C 0.276 175.996 176.000 -0.467 0.000 1.099 210 Q CA 0.440 56.021 55.803 -0.371 0.000 1.021 210 Q CB 0.137 28.534 28.738 -0.569 0.000 1.166 210 Q HN 0.628 nan 8.270 nan 0.000 0.393 211 H N 4.563 123.418 119.070 -0.359 0.000 2.820 211 H HA 0.278 4.834 4.556 0.001 0.000 0.278 211 H C -1.163 174.038 175.328 -0.212 0.000 1.142 211 H CA -0.466 55.449 56.048 -0.222 0.000 1.346 211 H CB -0.268 29.454 29.762 -0.068 0.000 1.438 211 H HN 0.443 nan 8.280 nan 0.000 0.473 212 F N 4.540 124.337 119.950 -0.255 0.000 2.389 212 F HA 0.205 4.733 4.527 0.001 0.000 0.337 212 F C 0.210 175.782 175.800 -0.379 0.000 1.112 212 F CA -0.580 57.321 58.000 -0.165 0.000 1.192 212 F CB 0.536 39.542 39.000 0.009 0.000 1.185 212 F HN 0.387 nan 8.300 nan 0.000 0.552 213 L N 3.382 124.633 121.223 0.048 0.000 2.399 213 L HA 0.509 4.849 4.340 0.001 0.000 0.266 213 L C -0.811 176.038 176.870 -0.035 0.000 1.114 213 L CA -0.873 53.951 54.840 -0.026 0.000 0.804 213 L CB 1.233 43.340 42.059 0.081 0.000 1.146 213 L HN 0.411 nan 8.230 nan 0.000 0.451 214 L N 2.167 123.332 121.223 -0.097 0.000 2.441 214 L HA 0.623 4.963 4.340 0.001 0.000 0.270 214 L C -0.291 176.427 176.870 -0.254 0.000 0.973 214 L CA 0.174 54.949 54.840 -0.107 0.000 0.842 214 L CB 1.836 43.868 42.059 -0.045 0.000 1.239 214 L HN 0.770 nan 8.230 nan 0.000 0.406 215 T N 1.890 116.264 114.554 -0.299 0.000 2.887 215 T HA 0.909 5.259 4.350 0.001 0.000 0.292 215 T C -0.576 173.986 174.700 -0.229 0.000 1.087 215 T CA -0.218 61.621 62.100 -0.435 0.000 1.009 215 T CB 1.697 70.121 68.868 -0.740 0.000 1.203 215 T HN 0.995 nan 8.240 nan 0.000 0.518 216 V N -2.065 117.715 119.914 -0.223 0.000 3.007 216 V HA 0.970 5.090 4.120 0.001 0.000 0.311 216 V C -0.283 175.890 176.094 0.133 0.000 1.120 216 V CA -1.361 60.917 62.300 -0.037 0.000 0.980 216 V CB 1.253 32.971 31.823 -0.175 0.000 1.033 216 V HN 1.495 nan 8.190 nan 0.000 0.429 217 A N 2.589 125.565 122.820 0.260 0.000 2.260 217 A HA 0.838 5.158 4.320 0.001 0.000 0.308 217 A C 0.374 178.139 177.584 0.301 0.000 1.254 217 A CA 0.149 52.382 52.037 0.328 0.000 0.874 217 A CB 0.256 19.474 19.000 0.363 0.000 1.153 217 A HN 1.818 nan 8.150 nan 0.000 0.527 218 S N 3.192 119.087 115.700 0.325 0.000 2.578 218 S HA 0.823 5.294 4.470 0.001 0.000 0.301 218 S C -2.853 171.949 174.600 0.336 0.000 1.091 218 S CA -1.615 56.829 58.200 0.406 0.000 1.032 218 S CB 1.778 65.361 63.200 0.639 0.000 1.064 218 S HN 0.545 nan 8.310 nan 0.000 0.508 219 P HA 0.295 nan 4.420 nan 0.000 0.274 219 P C -0.002 177.390 177.300 0.153 0.000 1.231 219 P CA -0.405 62.806 63.100 0.185 0.000 0.790 219 P CB 1.172 32.847 31.700 -0.041 0.000 0.951 220 A N 2.296 125.127 122.820 0.017 0.000 2.288 220 A HA 0.330 4.651 4.320 0.001 0.000 0.216 220 A C 1.308 178.815 177.584 -0.127 0.000 1.199 220 A CA 0.406 52.460 52.037 0.030 0.000 0.891 220 A CB -0.589 18.483 19.000 0.121 0.000 0.923 220 A HN 0.623 nan 8.150 nan 0.000 0.500 221 G N 0.822 109.465 108.800 -0.262 0.000 2.358 221 G HA2 0.419 4.379 3.960 0.001 0.000 0.273 221 G HA3 0.419 4.379 3.960 0.001 0.000 0.273 221 G C -1.482 173.348 174.900 -0.116 0.000 1.215 221 G CA -0.813 44.128 45.100 -0.266 0.000 0.910 221 G HN 0.054 nan 8.290 nan 0.000 0.467 222 P HA -0.157 nan 4.420 nan 0.000 0.216 222 P C 1.328 178.587 177.300 -0.070 0.000 1.154 222 P CA 1.091 64.165 63.100 -0.044 0.000 0.865 222 P CB 0.353 32.052 31.700 -0.002 0.000 0.789 223 D N -0.671 119.703 120.400 -0.044 0.000 2.123 223 D HA -0.155 4.485 4.640 0.001 0.000 0.196 223 D C 1.798 178.035 176.300 -0.104 0.000 0.992 223 D CA 1.362 55.327 54.000 -0.059 0.000 0.833 223 D CB -0.327 40.454 40.800 -0.032 0.000 0.954 223 D HN 0.117 nan 8.370 nan 0.000 0.455 224 K N 0.424 120.721 120.400 -0.171 0.000 2.057 224 K HA 0.046 4.367 4.320 0.001 0.000 0.206 224 K C 2.202 178.709 176.600 -0.154 0.000 1.050 224 K CA 0.291 56.449 56.287 -0.215 0.000 0.935 224 K CB -0.307 31.926 32.500 -0.444 0.000 0.715 224 K HN 0.177 nan 8.250 nan 0.000 0.439 225 I N 0.859 121.326 120.570 -0.171 0.000 2.208 225 I HA -0.336 3.835 4.170 0.001 0.000 0.245 225 I C 1.787 177.793 176.117 -0.186 0.000 1.097 225 I CA 1.374 62.538 61.300 -0.227 0.000 1.363 225 I CB -0.213 37.576 38.000 -0.351 0.000 1.051 225 I HN 0.124 nan 8.210 nan 0.000 0.413 226 K N 0.243 120.559 120.400 -0.139 0.000 2.209 226 K HA -0.115 4.205 4.320 0.001 0.000 0.204 226 K C 1.945 178.514 176.600 -0.053 0.000 1.048 226 K CA 0.969 57.200 56.287 -0.093 0.000 0.940 226 K CB -0.087 32.370 32.500 -0.072 0.000 0.729 226 K HN 0.189 nan 8.250 nan 0.000 0.451 227 V N 1.777 121.653 119.914 -0.062 0.000 2.548 227 V HA -0.110 4.011 4.120 0.001 0.000 0.249 227 V C 1.208 177.268 176.094 -0.057 0.000 1.055 227 V CA 0.886 63.156 62.300 -0.051 0.000 1.065 227 V CB -0.414 31.362 31.823 -0.078 0.000 0.681 227 V HN 0.209 nan 8.190 nan 0.000 0.462 228 L N 0.255 121.443 121.223 -0.059 0.000 2.467 228 L HA 0.151 4.492 4.340 0.001 0.000 0.270 228 L C 0.266 177.198 176.870 0.103 0.000 1.205 228 L CA 0.193 55.007 54.840 -0.043 0.000 0.828 228 L CB -0.150 41.915 42.059 0.010 0.000 1.101 228 L HN 0.316 nan 8.230 nan 0.000 0.479 229 H N 3.499 122.553 119.070 -0.026 0.000 2.702 229 H HA 0.173 4.730 4.556 0.001 0.000 0.252 229 H C 0.796 176.142 175.328 0.030 0.000 1.493 229 H CA -0.595 55.444 56.048 -0.014 0.000 1.273 229 H CB 0.698 30.449 29.762 -0.018 0.000 1.537 229 H HN 0.578 nan 8.280 nan 0.000 0.547 230 L N 1.685 122.998 121.223 0.151 0.000 1.989 230 L HA -0.253 4.087 4.340 0.001 0.000 0.211 230 L C 2.564 179.564 176.870 0.216 0.000 1.071 230 L CA 1.592 56.539 54.840 0.179 0.000 0.749 230 L CB -0.214 41.824 42.059 -0.035 0.000 0.890 230 L HN 0.426 nan 8.230 nan 0.000 0.431 231 K N -0.020 120.446 120.400 0.112 0.000 2.057 231 K HA -0.176 4.145 4.320 0.001 0.000 0.206 231 K C 1.768 178.433 176.600 0.110 0.000 1.050 231 K CA 1.567 57.915 56.287 0.101 0.000 0.935 231 K CB -0.000 32.525 32.500 0.042 0.000 0.715 231 K HN 0.207 nan 8.250 nan 0.000 0.439 232 D N 0.267 120.722 120.400 0.091 0.000 2.117 232 D HA -0.172 4.469 4.640 0.001 0.000 0.197 232 D C 1.904 178.232 176.300 0.047 0.000 0.987 232 D CA 1.366 55.407 54.000 0.069 0.000 0.829 232 D CB -0.070 40.778 40.800 0.080 0.000 0.961 232 D HN 0.304 nan 8.370 nan 0.000 0.460 233 M N 0.231 119.861 119.600 0.050 0.000 2.086 233 M HA -0.173 4.308 4.480 0.001 0.000 0.261 233 M C 1.881 178.167 176.300 -0.023 0.000 1.067 233 M CA 1.338 56.582 55.300 -0.093 0.000 1.116 233 M CB -0.205 32.291 32.600 -0.175 0.000 1.348 233 M HN -0.130 nan 8.290 nan 0.000 0.407 234 D N 0.003 120.568 120.400 0.276 0.000 2.221 234 D HA -0.227 4.414 4.640 0.001 0.000 0.204 234 D C 1.965 178.361 176.300 0.160 0.000 0.982 234 D CA 1.209 55.426 54.000 0.361 0.000 0.857 234 D CB -0.019 41.069 40.800 0.479 0.000 0.934 234 D HN 0.350 nan 8.370 nan 0.000 0.475 235 Q N -0.966 118.894 119.800 0.100 0.000 2.291 235 Q HA -0.143 4.198 4.340 0.001 0.000 0.206 235 Q C 1.191 177.215 176.000 0.041 0.000 0.976 235 Q CA 0.898 56.741 55.803 0.067 0.000 0.875 235 Q CB 0.191 28.960 28.738 0.052 0.000 0.927 235 Q HN 0.307 nan 8.270 nan 0.000 0.450 236 Q N -0.607 119.192 119.800 -0.002 0.000 2.356 236 Q HA 0.215 4.556 4.340 0.001 0.000 0.205 236 Q C -0.051 175.919 176.000 -0.049 0.000 0.901 236 Q CA 0.237 56.028 55.803 -0.020 0.000 0.938 236 Q CB 0.703 29.406 28.738 -0.058 0.000 1.081 236 Q HN 0.298 nan 8.270 nan 0.000 0.517 237 L N 0.294 121.470 121.223 -0.079 0.000 2.334 237 L HA 0.338 4.678 4.340 0.001 0.000 0.272 237 L C 0.939 177.809 176.870 -0.001 0.000 1.020 237 L CA -0.561 54.195 54.840 -0.140 0.000 0.812 237 L CB 1.348 43.157 42.059 -0.417 0.000 1.264 237 L HN -0.159 nan 8.230 nan 0.000 0.439 238 D N 1.099 121.487 120.400 -0.020 0.000 2.216 238 D HA 0.090 4.730 4.640 0.001 0.000 0.208 238 D C -0.292 176.196 176.300 0.313 0.000 0.960 238 D CA 1.404 55.494 54.000 0.151 0.000 0.861 238 D CB 0.598 41.495 40.800 0.160 0.000 0.985 238 D HN 0.340 nan 8.370 nan 0.000 0.493 239 F N -2.319 117.654 119.950 0.038 0.000 2.770 239 F HA 0.482 5.009 4.527 0.001 0.000 0.313 239 F C -2.232 173.618 175.800 0.083 0.000 1.154 239 F CA -1.681 56.395 58.000 0.127 0.000 0.923 239 F CB 0.425 39.463 39.000 0.063 0.000 1.301 239 F HN -0.343 nan 8.300 nan 0.000 0.449 240 W N 1.673 123.118 121.300 0.242 0.000 2.532 240 W HA 0.532 5.193 4.660 0.001 0.000 0.321 240 W C -0.730 175.883 176.519 0.155 0.000 1.037 240 W CA -0.735 56.675 57.345 0.108 0.000 1.220 240 W CB 1.513 30.960 29.460 -0.020 0.000 1.361 240 W HN 0.322 nan 8.180 nan 0.000 0.468 241 N N 3.902 122.827 118.700 0.375 0.000 2.558 241 N HA 0.152 4.892 4.740 0.001 0.000 0.233 241 N C -0.930 174.719 175.510 0.231 0.000 1.038 241 N CA -0.488 52.758 53.050 0.326 0.000 0.934 241 N CB 1.091 39.834 38.487 0.425 0.000 1.175 241 N HN 0.347 nan 8.380 nan 0.000 0.512 242 L N 2.599 123.878 121.223 0.095 0.000 2.418 242 L HA 0.196 4.537 4.340 0.001 0.000 0.274 242 L C 0.515 177.326 176.870 -0.098 0.000 1.135 242 L CA 0.320 55.148 54.840 -0.020 0.000 0.870 242 L CB 0.283 42.255 42.059 -0.146 0.000 1.154 242 L HN 0.407 nan 8.230 nan 0.000 0.462 243 M N 6.424 125.923 119.600 -0.168 0.000 3.422 243 M HA 0.219 4.700 4.480 0.001 0.000 0.248 243 M C 0.669 176.531 176.300 -0.730 0.000 1.433 243 M CA -0.083 54.828 55.300 -0.649 0.000 1.592 243 M CB 0.063 32.451 32.600 -0.352 0.000 1.078 243 M HN 0.789 nan 8.290 nan 0.000 0.578 244 A N 3.206 125.667 122.820 -0.598 0.000 3.077 244 A HA 0.382 4.703 4.320 0.001 0.000 0.255 244 A C -0.706 176.568 177.584 -0.517 0.000 1.728 244 A CA -0.138 51.726 52.037 -0.288 0.000 1.383 244 A CB -0.954 17.992 19.000 -0.089 0.000 1.097 244 A HN 0.733 nan 8.150 nan 0.000 0.634 245 Y N -4.539 115.522 120.300 -0.398 0.000 2.871 245 Y HA 0.524 5.074 4.550 0.001 0.000 0.331 245 Y C -0.269 175.492 175.900 -0.232 0.000 1.378 245 Y CA -1.885 55.937 58.100 -0.463 0.000 1.079 245 Y CB 0.146 38.517 38.460 -0.149 0.000 1.441 245 Y HN 0.183 nan 8.280 nan 0.000 0.446 246 D N -0.635 119.919 120.400 0.256 0.000 2.837 246 D HA -0.205 4.435 4.640 0.001 0.000 0.230 246 D C 0.332 176.917 176.300 0.476 0.000 1.152 246 D CA 1.069 55.294 54.000 0.375 0.000 0.736 246 D CB -1.240 39.745 40.800 0.308 0.000 1.084 246 D HN 0.637 nan 8.370 nan 0.000 0.429 247 Y N -0.744 119.737 120.300 0.301 0.000 2.439 247 Y HA 0.294 4.844 4.550 0.001 0.000 0.292 247 Y C 1.663 177.887 175.900 0.540 0.000 1.130 247 Y CA 0.697 58.995 58.100 0.331 0.000 1.254 247 Y CB 0.150 38.817 38.460 0.345 0.000 1.000 247 Y HN 0.252 nan 8.280 nan 0.000 0.554 248 A N -1.405 121.763 122.820 0.580 0.000 2.549 248 A HA 0.810 5.131 4.320 0.001 0.000 0.297 248 A C 0.170 177.766 177.584 0.021 0.000 1.061 248 A CA 0.065 52.294 52.037 0.319 0.000 0.690 248 A CB 1.287 20.438 19.000 0.251 0.000 1.287 248 A HN 0.269 nan 8.150 nan 0.000 0.402 249 G N -0.660 107.786 108.800 -0.589 0.000 2.393 249 G HA2 0.511 4.472 3.960 0.001 0.000 0.264 249 G HA3 0.511 4.472 3.960 0.001 0.000 0.264 249 G C 0.882 175.345 174.900 -0.728 0.000 1.221 249 G CA 0.822 45.431 45.100 -0.817 0.000 0.912 249 G HN 1.772 nan 8.290 nan 0.000 0.483 250 S N -0.336 115.063 115.700 -0.501 0.000 2.442 250 S HA -0.050 4.420 4.470 0.001 0.000 0.236 250 S C 1.971 176.597 174.600 0.043 0.000 1.007 250 S CA 2.151 60.311 58.200 -0.067 0.000 0.965 250 S CB -0.610 62.612 63.200 0.037 0.000 0.773 250 S HN 1.070 nan 8.310 nan 0.000 0.504 251 F N 1.508 121.572 119.950 0.190 0.000 2.797 251 F HA 0.499 5.027 4.527 0.001 0.000 0.302 251 F C 0.522 176.451 175.800 0.214 0.000 1.130 251 F CA -0.972 57.133 58.000 0.174 0.000 1.387 251 F CB -0.898 38.181 39.000 0.132 0.000 1.107 251 F HN -0.040 nan 8.300 nan 0.000 0.577 252 S N 0.303 116.014 115.700 0.018 0.000 2.585 252 S HA 0.219 4.690 4.470 0.001 0.000 0.277 252 S C 1.117 175.867 174.600 0.250 0.000 1.241 252 S CA -0.326 57.974 58.200 0.166 0.000 1.041 252 S CB 1.694 64.928 63.200 0.057 0.000 0.987 252 S HN 0.248 nan 8.310 nan 0.000 0.512 253 S N 1.173 116.977 115.700 0.173 0.000 2.406 253 S HA 0.107 4.578 4.470 0.001 0.000 0.228 253 S C 0.462 175.157 174.600 0.158 0.000 1.020 253 S CA 0.761 59.033 58.200 0.121 0.000 0.965 253 S CB -0.280 62.955 63.200 0.057 0.000 0.798 253 S HN 0.486 nan 8.310 nan 0.000 0.488 254 L N 0.817 122.128 121.223 0.147 0.000 2.350 254 L HA 0.447 4.787 4.340 0.001 0.000 0.260 254 L C 0.190 176.950 176.870 -0.185 0.000 1.015 254 L CA -0.936 53.954 54.840 0.083 0.000 0.821 254 L CB 1.835 43.864 42.059 -0.050 0.000 1.370 254 L HN 0.057 nan 8.230 nan 0.000 0.416 255 S N -0.172 115.258 115.700 -0.450 0.000 2.576 255 S HA 0.707 5.178 4.470 0.001 0.000 0.272 255 S C -0.009 173.982 174.600 -1.015 0.000 1.352 255 S CA 0.152 57.501 58.200 -1.419 0.000 1.021 255 S CB 1.269 63.788 63.200 -1.136 0.000 0.887 255 S HN 0.939 nan 8.310 nan 0.000 0.542 256 G N 0.381 108.480 108.800 -1.168 0.000 2.550 256 G HA2 0.436 4.396 3.960 0.001 0.000 0.293 256 G HA3 0.436 4.396 3.960 0.001 0.000 0.293 256 G C -1.713 172.929 174.900 -0.429 0.000 1.402 256 G CA -0.951 43.779 45.100 -0.617 0.000 0.784 256 G HN 0.784 nan 8.290 nan 0.000 0.482 257 H N 0.415 119.464 119.070 -0.035 0.000 2.610 257 H HA 0.200 4.756 4.556 0.001 0.000 0.336 257 H C 0.888 176.325 175.328 0.182 0.000 1.087 257 H CA 0.444 56.529 56.048 0.062 0.000 1.405 257 H CB 2.003 31.798 29.762 0.055 0.000 1.460 257 H HN 0.713 nan 8.280 nan 0.000 0.538 258 Q N 1.603 121.556 119.800 0.254 0.000 2.356 258 Q HA 0.321 4.661 4.340 0.001 0.000 0.205 258 Q C 0.515 176.431 176.000 -0.140 0.000 0.901 258 Q CA 0.545 56.462 55.803 0.190 0.000 0.938 258 Q CB 0.889 29.731 28.738 0.172 0.000 1.081 258 Q HN 0.509 nan 8.270 nan 0.000 0.517 259 A N 1.432 124.183 122.820 -0.115 0.000 2.504 259 A HA 0.137 4.458 4.320 0.001 0.000 0.263 259 A C -0.537 176.995 177.584 -0.086 0.000 0.885 259 A CA -0.692 51.120 52.037 -0.374 0.000 1.086 259 A CB -0.246 18.631 19.000 -0.205 0.000 1.203 259 A HN 0.456 nan 8.150 nan 0.000 0.496 260 N N 0.436 119.215 118.700 0.131 0.000 2.441 260 N HA 0.113 4.853 4.740 0.001 0.000 0.251 260 N C 0.845 176.383 175.510 0.047 0.000 1.242 260 N CA 0.255 53.347 53.050 0.070 0.000 0.898 260 N CB 1.403 39.940 38.487 0.084 0.000 1.100 260 N HN -0.060 nan 8.380 nan 0.000 0.443 261 V N 1.057 120.858 119.914 -0.189 0.000 2.407 261 V HA -0.061 4.060 4.120 0.001 0.000 0.245 261 V C 0.005 175.787 176.094 -0.519 0.000 1.041 261 V CA 1.268 63.264 62.300 -0.506 0.000 1.040 261 V CB -0.733 30.475 31.823 -1.025 0.000 0.671 261 V HN 0.602 nan 8.190 nan 0.000 0.455 262 Y N -0.547 119.712 120.300 -0.068 0.000 2.549 262 Y HA 0.372 4.923 4.550 0.001 0.000 0.339 262 Y C 0.452 176.345 175.900 -0.012 0.000 1.053 262 Y CA -1.561 56.520 58.100 -0.030 0.000 1.105 262 Y CB 0.520 38.957 38.460 -0.039 0.000 1.258 262 Y HN -0.027 nan 8.280 nan 0.000 0.478 263 N N 1.514 120.317 118.700 0.173 0.000 2.492 263 N HA -0.092 4.649 4.740 0.001 0.000 0.260 263 N C -1.127 174.422 175.510 0.066 0.000 1.215 263 N CA -0.000 53.100 53.050 0.084 0.000 0.923 263 N CB 0.609 39.125 38.487 0.048 0.000 1.092 263 N HN 0.700 nan 8.380 nan 0.000 0.448 264 D N 2.142 122.568 120.400 0.044 0.000 2.441 264 D HA 0.035 4.675 4.640 0.001 0.000 0.221 264 D C 1.449 177.753 176.300 0.007 0.000 1.156 264 D CA -0.286 53.728 54.000 0.025 0.000 0.896 264 D CB 0.676 41.499 40.800 0.037 0.000 1.028 264 D HN 0.667 nan 8.370 nan 0.000 0.509 265 T N -0.102 114.450 114.554 -0.003 0.000 2.833 265 T HA -0.204 4.147 4.350 0.001 0.000 0.269 265 T C 1.754 176.444 174.700 -0.017 0.000 1.054 265 T CA 1.538 63.630 62.100 -0.013 0.000 1.135 265 T CB -0.186 68.671 68.868 -0.018 0.000 0.869 265 T HN 0.253 nan 8.240 nan 0.000 0.466 266 S N 0.742 116.433 115.700 -0.015 0.000 2.489 266 S HA 0.100 4.571 4.470 0.001 0.000 0.228 266 S C 1.013 175.600 174.600 -0.022 0.000 0.995 266 S CA 0.321 58.510 58.200 -0.019 0.000 0.934 266 S CB -0.362 62.828 63.200 -0.017 0.000 0.771 266 S HN 0.543 nan 8.310 nan 0.000 0.522 267 N N 1.131 119.821 118.700 -0.018 0.000 2.700 267 N HA 0.301 5.042 4.740 0.001 0.000 0.242 267 N C -2.418 173.079 175.510 -0.022 0.000 1.541 267 N CA -1.723 51.311 53.050 -0.028 0.000 0.764 267 N CB 1.261 39.730 38.487 -0.029 0.000 1.319 267 N HN 0.016 nan 8.380 nan 0.000 0.518 268 P HA -0.118 nan 4.420 nan 0.000 0.221 268 P C 1.377 178.647 177.300 -0.050 0.000 1.145 268 P CA 0.683 63.764 63.100 -0.032 0.000 0.795 268 P CB 0.610 32.287 31.700 -0.039 0.000 0.775 269 L N 0.329 121.514 121.223 -0.063 0.000 2.275 269 L HA -0.092 4.249 4.340 0.001 0.000 0.215 269 L C 2.628 179.434 176.870 -0.105 0.000 1.119 269 L CA 1.775 56.566 54.840 -0.083 0.000 0.790 269 L CB -0.887 41.121 42.059 -0.085 0.000 0.919 269 L HN 0.137 nan 8.230 nan 0.000 0.443 270 S N -1.892 113.747 115.700 -0.100 0.000 2.527 270 S HA -0.042 4.429 4.470 0.001 0.000 0.222 270 S C 1.114 175.711 174.600 -0.005 0.000 0.985 270 S CA 0.408 58.516 58.200 -0.154 0.000 0.921 270 S CB -0.403 62.690 63.200 -0.179 0.000 0.772 270 S HN 0.434 nan 8.310 nan 0.000 0.529 271 T N -0.373 114.206 114.554 0.041 0.000 3.390 271 T HA 0.465 4.816 4.350 0.001 0.000 0.351 271 T C -1.959 172.731 174.700 -0.017 0.000 1.759 271 T CA -1.564 60.592 62.100 0.094 0.000 1.561 271 T CB 1.278 70.215 68.868 0.114 0.000 1.011 271 T HN 0.023 nan 8.240 nan 0.000 0.689 272 P HA 0.072 nan 4.420 nan 0.000 0.225 272 P C -0.326 176.563 177.300 -0.686 0.000 1.148 272 P CA 0.556 63.459 63.100 -0.328 0.000 0.779 272 P CB -0.017 31.531 31.700 -0.253 0.000 0.780 273 F N -0.210 119.668 119.950 -0.120 0.000 2.664 273 F HA 0.418 4.945 4.527 0.001 0.000 0.317 273 F C 0.054 175.656 175.800 -0.330 0.000 1.108 273 F CA -0.847 56.938 58.000 -0.358 0.000 0.957 273 F CB 1.401 39.912 39.000 -0.815 0.000 1.365 273 F HN -0.186 nan 8.300 nan 0.000 0.475 274 N N -2.657 115.954 118.700 -0.149 0.000 2.405 274 N HA 0.327 5.068 4.740 0.001 0.000 0.274 274 N C -0.713 174.783 175.510 -0.022 0.000 1.170 274 N CA -0.691 52.348 53.050 -0.018 0.000 0.848 274 N CB 1.613 40.120 38.487 0.032 0.000 1.629 274 N HN 0.362 nan 8.380 nan 0.000 0.481 275 T N -0.186 114.422 114.554 0.090 0.000 2.821 275 T HA -0.186 4.165 4.350 0.001 0.000 0.267 275 T C 1.428 176.158 174.700 0.050 0.000 1.046 275 T CA 1.640 63.796 62.100 0.093 0.000 1.139 275 T CB -0.274 68.628 68.868 0.057 0.000 0.871 275 T HN 0.632 nan 8.240 nan 0.000 0.454 276 Q N 1.186 120.978 119.800 -0.014 0.000 2.096 276 Q HA -0.117 4.223 4.340 0.001 0.000 0.204 276 Q C 2.304 178.359 176.000 0.090 0.000 0.982 276 Q CA 1.986 57.835 55.803 0.077 0.000 0.850 276 Q CB -0.968 27.836 28.738 0.110 0.000 0.901 276 Q HN 0.426 nan 8.270 nan 0.000 0.422 277 T N 0.251 114.842 114.554 0.062 0.000 2.684 277 T HA -0.177 4.173 4.350 0.001 0.000 0.267 277 T C 1.680 176.408 174.700 0.048 0.000 1.036 277 T CA 1.545 63.672 62.100 0.045 0.000 1.148 277 T CB -0.649 68.233 68.868 0.022 0.000 0.863 277 T HN 0.494 nan 8.240 nan 0.000 0.436 278 A N 1.079 123.939 122.820 0.066 0.000 1.902 278 A HA 0.013 4.334 4.320 0.001 0.000 0.217 278 A C 2.314 180.033 177.584 0.225 0.000 1.181 278 A CA 1.218 53.330 52.037 0.124 0.000 0.623 278 A CB -0.837 18.257 19.000 0.157 0.000 0.818 278 A HN 0.481 nan 8.150 nan 0.000 0.443 279 L N -0.607 120.714 121.223 0.164 0.000 2.083 279 L HA -0.181 4.159 4.340 0.001 0.000 0.209 279 L C 2.026 178.955 176.870 0.099 0.000 1.083 279 L CA 1.327 56.247 54.840 0.133 0.000 0.752 279 L CB -0.633 41.469 42.059 0.071 0.000 0.899 279 L HN 0.294 nan 8.230 nan 0.000 0.433 280 D N 0.128 120.571 120.400 0.071 0.000 2.144 280 D HA -0.145 4.496 4.640 0.001 0.000 0.199 280 D C 2.380 178.683 176.300 0.004 0.000 0.984 280 D CA 1.111 55.132 54.000 0.035 0.000 0.834 280 D CB -0.093 40.728 40.800 0.035 0.000 0.955 280 D HN 0.252 nan 8.370 nan 0.000 0.465 281 L N -0.570 120.644 121.223 -0.014 0.000 2.093 281 L HA -0.181 4.160 4.340 0.001 0.000 0.208 281 L C 2.287 179.055 176.870 -0.171 0.000 1.085 281 L CA 0.928 55.703 54.840 -0.109 0.000 0.755 281 L CB -0.407 41.546 42.059 -0.175 0.000 0.904 281 L HN 0.074 nan 8.230 nan 0.000 0.435 282 Y N -0.033 120.180 120.300 -0.144 0.000 2.200 282 Y HA -0.165 4.386 4.550 0.001 0.000 0.290 282 Y C 2.807 178.586 175.900 -0.202 0.000 1.137 282 Y CA 1.231 59.190 58.100 -0.235 0.000 1.163 282 Y CB -0.169 38.105 38.460 -0.310 0.000 0.988 282 Y HN 0.012 nan 8.280 nan 0.000 0.518 283 R N -0.543 119.968 120.500 0.018 0.000 2.073 283 R HA -0.073 4.268 4.340 0.001 0.000 0.229 283 R C 2.478 178.757 176.300 -0.034 0.000 1.120 283 R CA 1.020 57.108 56.100 -0.021 0.000 0.967 283 R CB -0.622 29.669 30.300 -0.016 0.000 0.862 283 R HN 0.288 nan 8.270 nan 0.000 0.436 284 A N 0.843 123.641 122.820 -0.038 0.000 1.972 284 A HA -0.070 4.251 4.320 0.001 0.000 0.219 284 A C 2.225 179.776 177.584 -0.055 0.000 1.169 284 A CA 1.642 53.654 52.037 -0.042 0.000 0.635 284 A CB -0.791 18.183 19.000 -0.043 0.000 0.810 284 A HN 0.456 nan 8.150 nan 0.000 0.446 285 G N -2.105 106.646 108.800 -0.082 0.000 2.744 285 G HA2 0.329 4.289 3.960 0.001 0.000 0.211 285 G HA3 0.329 4.289 3.960 0.001 0.000 0.211 285 G C 1.125 175.987 174.900 -0.063 0.000 1.143 285 G CA 0.686 45.731 45.100 -0.092 0.000 0.788 285 G HN 1.657 nan 8.290 nan 0.000 0.534 286 G N -1.593 107.176 108.800 -0.050 0.000 2.184 286 G HA2 -0.217 3.744 3.960 0.001 0.000 0.206 286 G HA3 -0.217 3.744 3.960 0.001 0.000 0.206 286 G C 0.183 175.069 174.900 -0.023 0.000 0.995 286 G CA -0.018 45.066 45.100 -0.027 0.000 0.651 286 G HN 0.646 nan 8.290 nan 0.000 0.511 287 V N 2.666 122.540 119.914 -0.068 0.000 2.488 287 V HA 0.412 4.533 4.120 0.001 0.000 0.277 287 V C -1.455 174.595 176.094 -0.074 0.000 1.046 287 V CA -1.244 60.994 62.300 -0.103 0.000 0.986 287 V CB 1.159 32.775 31.823 -0.346 0.000 0.989 287 V HN 0.148 nan 8.190 nan 0.000 0.475 288 P HA 0.146 nan 4.420 nan 0.000 0.268 288 P C 0.647 177.922 177.300 -0.040 0.000 1.205 288 P CA -0.002 63.089 63.100 -0.015 0.000 0.771 288 P CB 0.851 32.564 31.700 0.020 0.000 0.858 289 A N 4.086 126.880 122.820 -0.044 0.000 1.917 289 A HA -0.247 4.074 4.320 0.001 0.000 0.219 289 A C 1.623 179.183 177.584 -0.040 0.000 1.182 289 A CA 2.174 54.176 52.037 -0.058 0.000 0.633 289 A CB -1.434 17.533 19.000 -0.055 0.000 0.819 289 A HN 0.719 nan 8.150 nan 0.000 0.448 290 N N -0.568 118.121 118.700 -0.018 0.000 2.575 290 N HA -0.048 4.693 4.740 0.001 0.000 0.192 290 N C 0.724 176.247 175.510 0.021 0.000 1.200 290 N CA 1.002 54.047 53.050 -0.009 0.000 0.897 290 N CB -0.248 38.224 38.487 -0.025 0.000 0.990 290 N HN 0.558 nan 8.380 nan 0.000 0.449 291 K N -0.140 120.292 120.400 0.053 0.000 2.358 291 K HA 0.308 4.629 4.320 0.001 0.000 0.200 291 K C -0.214 176.501 176.600 0.192 0.000 1.030 291 K CA -0.065 56.325 56.287 0.172 0.000 1.097 291 K CB 0.757 33.414 32.500 0.261 0.000 0.862 291 K HN 0.230 nan 8.250 nan 0.000 0.534 292 I N 2.087 122.671 120.570 0.023 0.000 2.330 292 I HA 0.166 4.337 4.170 0.001 0.000 0.289 292 I C -0.376 175.722 176.117 -0.031 0.000 1.001 292 I CA -0.957 60.317 61.300 -0.044 0.000 1.193 292 I CB 1.606 39.474 38.000 -0.221 0.000 1.345 292 I HN -0.301 nan 8.210 nan 0.000 0.461 293 V N 7.047 126.969 119.914 0.013 0.000 2.407 293 V HA 0.178 4.298 4.120 0.001 0.000 0.278 293 V C 0.084 176.147 176.094 -0.052 0.000 1.037 293 V CA -0.670 61.603 62.300 -0.045 0.000 0.900 293 V CB 1.648 33.440 31.823 -0.051 0.000 0.983 293 V HN 0.443 nan 8.190 nan 0.000 0.459 294 L N 5.882 127.049 121.223 -0.093 0.000 2.407 294 L HA 0.516 4.857 4.340 0.001 0.000 0.282 294 L C 0.928 177.720 176.870 -0.129 0.000 1.110 294 L CA 0.543 55.330 54.840 -0.088 0.000 0.863 294 L CB 0.131 42.157 42.059 -0.054 0.000 1.207 294 L HN 0.736 nan 8.230 nan 0.000 0.454 295 G N 5.914 114.678 108.800 -0.061 0.000 2.441 295 G HA2 0.434 4.394 3.960 0.001 0.000 0.243 295 G HA3 0.434 4.394 3.960 0.001 0.000 0.243 295 G C -0.485 174.466 174.900 0.085 0.000 1.281 295 G CA -0.502 44.624 45.100 0.043 0.000 0.854 295 G HN 0.623 nan 8.290 nan 0.000 0.560 296 M N 3.392 123.081 119.600 0.148 0.000 2.446 296 M HA 0.328 4.809 4.480 0.001 0.000 0.294 296 M C -2.510 173.951 176.300 0.268 0.000 1.158 296 M CA -1.890 53.501 55.300 0.151 0.000 0.899 296 M CB 3.598 36.150 32.600 -0.079 0.000 1.687 296 M HN 0.300 nan 8.290 nan 0.000 0.455 297 P HA 0.234 nan 4.420 nan 0.000 0.285 297 P C -0.767 176.500 177.300 -0.055 0.000 1.259 297 P CA -0.244 62.710 63.100 -0.243 0.000 0.794 297 P CB 0.880 32.093 31.700 -0.812 0.000 0.940 298 L N 3.841 125.152 121.223 0.148 0.000 3.034 298 L HA 0.280 4.620 4.340 0.001 0.000 0.245 298 L C -0.206 176.865 176.870 0.335 0.000 1.295 298 L CA -0.372 54.582 54.840 0.190 0.000 1.068 298 L CB -0.684 41.494 42.059 0.198 0.000 1.426 298 L HN 0.485 nan 8.230 nan 0.000 0.531 299 Y N -3.113 117.317 120.300 0.217 0.000 2.689 299 Y HA 0.834 5.384 4.550 0.001 0.000 0.333 299 Y C -0.276 175.781 175.900 0.260 0.000 1.208 299 Y CA -1.444 56.800 58.100 0.240 0.000 1.055 299 Y CB 0.842 39.430 38.460 0.213 0.000 1.304 299 Y HN -0.132 nan 8.280 nan 0.000 0.455 300 G N 0.955 109.995 108.800 0.398 0.000 2.481 300 G HA2 0.668 4.628 3.960 0.001 0.000 0.315 300 G HA3 0.668 4.628 3.960 0.001 0.000 0.315 300 G C -1.584 173.550 174.900 0.391 0.000 1.231 300 G CA -1.485 43.828 45.100 0.356 0.000 0.968 300 G HN 0.583 nan 8.290 nan 0.000 0.482 301 R N 0.799 121.445 120.500 0.244 0.000 2.295 301 R HA 0.478 4.818 4.340 0.001 0.000 0.324 301 R C -0.137 176.049 176.300 -0.190 0.000 0.968 301 R CA -0.415 55.705 56.100 0.033 0.000 0.837 301 R CB 1.771 32.056 30.300 -0.024 0.000 1.133 301 R HN 0.680 nan 8.270 nan 0.000 0.450 302 S N 2.161 117.676 115.700 -0.308 0.000 2.651 302 S HA 0.717 5.187 4.470 0.001 0.000 0.291 302 S C -0.501 173.533 174.600 -0.944 0.000 1.141 302 S CA -0.666 57.237 58.200 -0.495 0.000 1.027 302 S CB 1.102 64.135 63.200 -0.278 0.000 1.043 302 S HN 0.385 nan 8.310 nan 0.000 0.530 303 F N 0.022 119.713 119.950 -0.432 0.000 2.557 303 F HA 0.687 5.214 4.527 0.001 0.000 0.316 303 F C 0.310 176.045 175.800 -0.108 0.000 1.141 303 F CA -0.809 56.996 58.000 -0.325 0.000 0.922 303 F CB 1.788 40.477 39.000 -0.518 0.000 1.194 303 F HN 0.930 nan 8.300 nan 0.000 0.443 304 A N 2.279 125.317 122.820 0.363 0.000 2.282 304 A HA 0.593 4.914 4.320 0.001 0.000 0.319 304 A C 0.312 178.131 177.584 0.393 0.000 1.121 304 A CA -0.702 51.626 52.037 0.485 0.000 0.836 304 A CB 0.270 19.577 19.000 0.510 0.000 1.146 304 A HN 0.878 nan 8.150 nan 0.000 0.494 305 N N -0.138 118.758 118.700 0.326 0.000 2.714 305 N HA -0.139 4.602 4.740 0.001 0.000 0.253 305 N C -0.319 175.336 175.510 0.242 0.000 1.024 305 N CA 1.542 54.735 53.050 0.238 0.000 0.726 305 N CB -1.134 37.462 38.487 0.183 0.000 0.908 305 N HN 0.824 nan 8.380 nan 0.000 0.542 306 T N -1.158 113.562 114.554 0.276 0.000 2.893 306 T HA 0.292 4.642 4.350 0.001 0.000 0.291 306 T C 0.600 175.439 174.700 0.232 0.000 1.028 306 T CA -0.650 61.583 62.100 0.222 0.000 0.995 306 T CB 1.271 70.250 68.868 0.186 0.000 1.051 306 T HN -0.037 nan 8.240 nan 0.000 0.470 307 D N 1.997 122.452 120.400 0.093 0.000 2.277 307 D HA 0.263 4.904 4.640 0.001 0.000 0.208 307 D C 1.057 177.206 176.300 -0.252 0.000 0.962 307 D CA 0.966 54.985 54.000 0.031 0.000 0.865 307 D CB 0.402 41.197 40.800 -0.009 0.000 0.939 307 D HN 0.831 nan 8.370 nan 0.000 0.510 308 G N -0.187 108.438 108.800 -0.292 0.000 2.333 308 G HA2 0.166 4.127 3.960 0.001 0.000 0.288 308 G HA3 0.166 4.127 3.960 0.001 0.000 0.288 308 G C -3.020 171.615 174.900 -0.442 0.000 1.286 308 G CA -0.994 43.799 45.100 -0.511 0.000 0.865 308 G HN -0.253 nan 8.290 nan 0.000 0.506 309 P HA 0.376 nan 4.420 nan 0.000 0.268 309 P C 0.808 177.859 177.300 -0.415 0.000 1.204 309 P CA 1.986 64.712 63.100 -0.623 0.000 0.768 309 P CB 0.915 32.171 31.700 -0.739 0.000 0.842 310 G N 1.125 109.678 108.800 -0.413 0.000 2.198 310 G HA2 -0.204 3.756 3.960 0.001 0.000 0.257 310 G HA3 -0.204 3.756 3.960 0.001 0.000 0.257 310 G C -0.020 174.766 174.900 -0.190 0.000 1.042 310 G CA -0.104 44.839 45.100 -0.263 0.000 0.791 310 G HN 0.477 nan 8.290 nan 0.000 0.502 311 K N -0.621 119.661 120.400 -0.197 0.000 2.400 311 K HA 0.577 4.897 4.320 0.001 0.000 0.246 311 K C -2.722 173.864 176.600 -0.023 0.000 0.995 311 K CA -2.222 54.002 56.287 -0.105 0.000 0.840 311 K CB 1.663 34.100 32.500 -0.104 0.000 1.293 311 K HN -0.080 nan 8.250 nan 0.000 0.445 312 P HA 0.044 nan 4.420 nan 0.000 0.268 312 P C -1.085 176.297 177.300 0.137 0.000 1.208 312 P CA 0.310 63.433 63.100 0.038 0.000 0.777 312 P CB 0.164 31.861 31.700 -0.006 0.000 0.875 313 Y N -0.453 119.853 120.300 0.010 0.000 2.689 313 Y HA 0.731 5.282 4.550 0.001 0.000 0.333 313 Y C -1.369 174.584 175.900 0.087 0.000 1.190 313 Y CA -1.439 56.702 58.100 0.068 0.000 1.063 313 Y CB 1.231 39.761 38.460 0.117 0.000 1.294 313 Y HN 0.168 nan 8.280 nan 0.000 0.466 314 N N 0.791 119.573 118.700 0.136 0.000 2.581 314 N HA 0.526 5.266 4.740 0.001 0.000 0.279 314 N C -0.594 175.034 175.510 0.197 0.000 1.124 314 N CA 0.676 53.737 53.050 0.019 0.000 0.833 314 N CB 1.479 39.983 38.487 0.027 0.000 1.338 314 N HN 1.519 nan 8.380 nan 0.000 0.533 315 G N 0.560 109.489 108.800 0.215 0.000 2.758 315 G HA2 -0.134 3.827 3.960 0.001 0.000 0.686 315 G HA3 -0.134 3.827 3.960 0.001 0.000 0.686 315 G C 0.271 175.393 174.900 0.369 0.000 1.389 315 G CA -0.262 44.993 45.100 0.259 0.000 0.845 315 G HN 1.274 nan 8.290 nan 0.000 0.572 316 V N -1.127 118.937 119.914 0.250 0.000 3.380 316 V HA 0.682 4.802 4.120 0.001 0.000 0.307 316 V C 1.740 178.045 176.094 0.351 0.000 1.434 316 V CA 1.093 63.495 62.300 0.169 0.000 1.075 316 V CB -0.285 31.526 31.823 -0.021 0.000 0.954 316 V HN 2.982 nan 8.190 nan 0.000 0.444 317 G N 1.165 110.196 108.800 0.384 0.000 2.697 317 G HA2 -0.237 3.723 3.960 0.001 0.000 0.240 317 G HA3 -0.237 3.723 3.960 0.001 0.000 0.240 317 G C -0.272 174.770 174.900 0.237 0.000 1.346 317 G CA 0.529 45.870 45.100 0.401 0.000 0.887 317 G HN 0.631 nan 8.290 nan 0.000 0.569 318 Q N -0.741 119.185 119.800 0.211 0.000 2.722 318 Q HA 0.616 4.956 4.340 0.001 0.000 0.187 318 Q C 0.905 176.539 176.000 -0.611 0.000 1.110 318 Q CA 0.046 55.791 55.803 -0.098 0.000 0.798 318 Q CB 0.500 29.191 28.738 -0.079 0.000 3.872 318 Q HN 1.647 nan 8.270 nan 0.000 0.411 319 G N -1.259 106.819 108.800 -1.202 0.000 2.428 319 G HA2 0.210 4.171 3.960 0.001 0.000 0.304 319 G HA3 0.210 4.171 3.960 0.001 0.000 0.304 319 G C -0.355 173.733 174.900 -1.354 0.000 1.303 319 G CA -0.231 43.675 45.100 -1.991 0.000 0.825 319 G HN 0.349 nan 8.290 nan 0.000 0.484 320 S N -1.206 113.893 115.700 -1.002 0.000 2.356 320 S HA 0.056 4.527 4.470 0.001 0.000 0.219 320 S C 1.299 175.104 174.600 -1.324 0.000 1.036 320 S CA 1.653 59.240 58.200 -1.021 0.000 0.965 320 S CB -0.111 62.569 63.200 -0.867 0.000 0.864 320 S HN 0.580 nan 8.310 nan 0.000 0.471 321 W N 1.351 122.578 121.300 -0.122 0.000 2.661 321 W HA 0.345 5.006 4.660 0.001 0.000 0.288 321 W C -0.167 176.311 176.519 -0.067 0.000 1.014 321 W CA -0.447 56.873 57.345 -0.042 0.000 1.396 321 W CB 0.730 30.219 29.460 0.048 0.000 0.963 321 W HN 0.062 nan 8.180 nan 0.000 0.584 322 E N 0.676 120.860 120.200 -0.027 0.000 2.343 322 E HA 0.234 4.584 4.350 0.001 0.000 0.278 322 E C -1.032 175.448 176.600 -0.201 0.000 0.910 322 E CA -0.900 55.463 56.400 -0.062 0.000 0.757 322 E CB 0.567 30.267 29.700 0.000 0.000 1.218 322 E HN -0.265 nan 8.360 nan 0.000 0.435 323 N N 0.458 119.060 118.700 -0.164 0.000 2.458 323 N HA 0.274 5.015 4.740 0.001 0.000 0.258 323 N C 1.194 176.599 175.510 -0.176 0.000 1.219 323 N CA 1.899 54.834 53.050 -0.192 0.000 0.902 323 N CB 0.561 38.995 38.487 -0.089 0.000 1.076 323 N HN 0.898 nan 8.380 nan 0.000 0.455 324 G N -0.161 108.516 108.800 -0.205 0.000 2.176 324 G HA2 -0.239 3.721 3.960 0.001 0.000 0.253 324 G HA3 -0.239 3.721 3.960 0.001 0.000 0.253 324 G C -0.340 174.470 174.900 -0.149 0.000 0.979 324 G CA 0.324 45.348 45.100 -0.126 0.000 0.641 324 G HN 0.509 nan 8.290 nan 0.000 0.530 325 V N -0.115 119.623 119.914 -0.294 0.000 2.531 325 V HA 0.753 4.874 4.120 0.001 0.000 0.301 325 V C -0.632 175.292 176.094 -0.282 0.000 1.034 325 V CA -0.826 61.400 62.300 -0.125 0.000 0.865 325 V CB 1.352 33.123 31.823 -0.086 0.000 0.995 325 V HN 0.307 nan 8.190 nan 0.000 0.424 326 W N 1.464 122.832 121.300 0.114 0.000 2.785 326 W HA 0.551 5.212 4.660 0.001 0.000 0.333 326 W C -0.229 176.371 176.519 0.134 0.000 1.062 326 W CA -0.646 56.736 57.345 0.062 0.000 1.233 326 W CB 1.085 30.556 29.460 0.019 0.000 1.413 326 W HN 0.427 nan 8.180 nan 0.000 0.489 327 D N 1.554 122.149 120.400 0.325 0.000 2.455 327 D HA -0.121 4.519 4.640 0.001 0.000 0.241 327 D C 0.861 177.302 176.300 0.234 0.000 1.138 327 D CA 0.181 54.366 54.000 0.308 0.000 0.877 327 D CB 0.546 41.508 40.800 0.271 0.000 1.187 327 D HN 0.471 nan 8.370 nan 0.000 0.451 328 Y N 3.640 124.010 120.300 0.116 0.000 2.207 328 Y HA -0.259 4.292 4.550 0.001 0.000 0.287 328 Y C 1.958 177.844 175.900 -0.023 0.000 1.156 328 Y CA 1.892 59.995 58.100 0.005 0.000 1.182 328 Y CB 0.012 38.511 38.460 0.066 0.000 0.979 328 Y HN 0.429 nan 8.280 nan 0.000 0.521 329 K N -0.033 120.279 120.400 -0.148 0.000 2.442 329 K HA 0.054 4.374 4.320 0.001 0.000 0.198 329 K C 1.587 178.065 176.600 -0.203 0.000 1.044 329 K CA 1.120 57.247 56.287 -0.266 0.000 0.948 329 K CB -0.340 32.115 32.500 -0.075 0.000 0.762 329 K HN 0.289 nan 8.250 nan 0.000 0.472 330 A N 1.159 123.901 122.820 -0.129 0.000 2.308 330 A HA 0.299 4.620 4.320 0.001 0.000 0.217 330 A C 0.412 177.879 177.584 -0.195 0.000 1.216 330 A CA -0.376 51.603 52.037 -0.096 0.000 0.864 330 A CB 0.046 19.067 19.000 0.036 0.000 0.902 330 A HN 0.196 nan 8.150 nan 0.000 0.499 331 L N 0.774 121.805 121.223 -0.320 0.000 2.333 331 L HA 0.455 4.795 4.340 0.001 0.000 0.269 331 L C -2.398 174.297 176.870 -0.292 0.000 1.010 331 L CA -2.461 52.136 54.840 -0.406 0.000 0.818 331 L CB 1.983 43.554 42.059 -0.812 0.000 1.306 331 L HN 0.001 nan 8.230 nan 0.000 0.430 332 P HA 0.164 nan 4.420 nan 0.000 0.276 332 P C -1.410 175.803 177.300 -0.145 0.000 1.244 332 P CA -0.577 62.459 63.100 -0.108 0.000 0.801 332 P CB 0.849 32.580 31.700 0.051 0.000 1.006 333 Q N 0.305 120.002 119.800 -0.171 0.000 2.306 333 Q HA 0.460 4.801 4.340 0.001 0.000 0.241 333 Q C 0.304 176.233 176.000 -0.118 0.000 0.948 333 Q CA -0.688 55.007 55.803 -0.179 0.000 0.886 333 Q CB 0.528 29.108 28.738 -0.263 0.000 1.227 333 Q HN 0.530 nan 8.270 nan 0.000 0.457 334 A N 0.838 123.595 122.820 -0.106 0.000 2.565 334 A HA 0.325 4.646 4.320 0.001 0.000 0.237 334 A C 1.236 178.774 177.584 -0.077 0.000 1.053 334 A CA 0.880 52.869 52.037 -0.079 0.000 0.755 334 A CB -0.741 18.217 19.000 -0.071 0.000 0.980 334 A HN 1.022 nan 8.150 nan 0.000 0.506 335 G N 0.490 109.255 108.800 -0.059 0.000 2.241 335 G HA2 0.153 4.114 3.960 0.001 0.000 0.244 335 G HA3 0.153 4.114 3.960 0.001 0.000 0.244 335 G C 0.557 175.428 174.900 -0.048 0.000 0.998 335 G CA 0.624 45.692 45.100 -0.054 0.000 0.621 335 G HN 2.259 nan 8.290 nan 0.000 0.519 336 A N -0.193 122.600 122.820 -0.045 0.000 2.295 336 A HA 0.838 5.158 4.320 0.001 0.000 0.318 336 A C 0.212 177.776 177.584 -0.033 0.000 1.134 336 A CA 0.675 52.697 52.037 -0.024 0.000 0.827 336 A CB 1.103 20.107 19.000 0.007 0.000 1.136 336 A HN 0.697 nan 8.150 nan 0.000 0.493 337 T N 1.842 116.368 114.554 -0.046 0.000 2.807 337 T HA 0.377 4.728 4.350 0.001 0.000 0.279 337 T C -0.380 174.112 174.700 -0.346 0.000 0.993 337 T CA -0.384 61.614 62.100 -0.169 0.000 0.970 337 T CB 1.049 69.810 68.868 -0.179 0.000 0.950 337 T HN 0.677 nan 8.240 nan 0.000 0.441 338 E N 2.289 122.288 120.200 -0.335 0.000 2.343 338 E HA 0.243 4.594 4.350 0.001 0.000 0.269 338 E C -0.435 175.763 176.600 -0.670 0.000 1.047 338 E CA -0.548 55.632 56.400 -0.367 0.000 0.874 338 E CB 0.634 30.241 29.700 -0.156 0.000 1.033 338 E HN 0.537 nan 8.360 nan 0.000 0.409 339 H N 0.475 119.279 119.070 -0.444 0.000 2.679 339 H HA 0.364 4.921 4.556 0.001 0.000 0.360 339 H C -0.891 174.210 175.328 -0.379 0.000 1.105 339 H CA -0.613 55.146 56.048 -0.483 0.000 1.196 339 H CB 1.620 30.870 29.762 -0.853 0.000 1.636 339 H HN 0.158 nan 8.280 nan 0.000 0.531 340 V N 4.035 123.910 119.914 -0.066 0.000 2.555 340 V HA 0.308 4.428 4.120 0.001 0.000 0.302 340 V C 0.122 176.224 176.094 0.012 0.000 1.038 340 V CA -0.729 61.550 62.300 -0.036 0.000 0.887 340 V CB 2.261 34.063 31.823 -0.035 0.000 0.991 340 V HN 0.517 nan 8.190 nan 0.000 0.434 341 L N 6.777 128.006 121.223 0.011 0.000 2.445 341 L HA 0.348 4.688 4.340 0.001 0.000 0.252 341 L C -1.340 175.519 176.870 -0.018 0.000 1.105 341 L CA -1.345 53.497 54.840 0.002 0.000 0.943 341 L CB 1.928 43.975 42.059 -0.021 0.000 1.277 341 L HN 0.485 nan 8.230 nan 0.000 0.465 342 P HA -0.189 nan 4.420 nan 0.000 0.216 342 P C 0.489 177.800 177.300 0.019 0.000 1.150 342 P CA 1.246 64.348 63.100 0.004 0.000 0.837 342 P CB 0.427 32.131 31.700 0.007 0.000 0.786 343 D N -0.138 120.267 120.400 0.008 0.000 2.378 343 D HA -0.008 4.632 4.640 0.001 0.000 0.227 343 D C 1.662 178.009 176.300 0.079 0.000 1.012 343 D CA 0.651 54.655 54.000 0.008 0.000 0.905 343 D CB -0.132 40.643 40.800 -0.041 0.000 0.895 343 D HN 0.446 nan 8.370 nan 0.000 0.532 344 I N -4.232 116.376 120.570 0.064 0.000 4.147 344 I HA 0.243 4.414 4.170 0.001 0.000 0.329 344 I C 0.057 176.174 176.117 0.001 0.000 1.424 344 I CA -0.318 61.038 61.300 0.093 0.000 1.127 344 I CB 0.030 38.018 38.000 -0.021 0.000 1.128 344 I HN -0.280 nan 8.210 nan 0.000 0.417 345 M N 1.705 121.303 119.600 -0.004 0.000 2.303 345 M HA -0.194 4.286 4.480 0.001 0.000 0.189 345 M C -0.117 176.127 176.300 -0.092 0.000 0.688 345 M CA 0.855 56.120 55.300 -0.058 0.000 0.479 345 M CB -1.592 30.936 32.600 -0.121 0.000 1.094 345 M HN 0.684 nan 8.290 nan 0.000 0.907 346 A N -0.058 122.699 122.820 -0.105 0.000 2.498 346 A HA 0.935 5.255 4.320 0.001 0.000 0.298 346 A C -0.458 177.093 177.584 -0.056 0.000 1.075 346 A CA -0.417 51.550 52.037 -0.115 0.000 0.714 346 A CB 2.383 21.203 19.000 -0.300 0.000 1.299 346 A HN 0.310 nan 8.150 nan 0.000 0.407 347 S N -0.905 114.782 115.700 -0.021 0.000 2.627 347 S HA 0.901 5.371 4.470 0.001 0.000 0.283 347 S C -1.686 172.921 174.600 0.013 0.000 1.127 347 S CA -0.334 57.832 58.200 -0.057 0.000 0.863 347 S CB 1.455 64.535 63.200 -0.200 0.000 1.121 347 S HN 1.486 nan 8.310 nan 0.000 0.479 348 Y N -0.908 119.300 120.300 -0.153 0.000 2.677 348 Y HA 0.738 5.288 4.550 0.001 0.000 0.334 348 Y C -0.793 175.114 175.900 0.010 0.000 1.196 348 Y CA -1.135 56.902 58.100 -0.106 0.000 1.059 348 Y CB 0.486 39.005 38.460 0.099 0.000 1.315 348 Y HN 0.546 nan 8.280 nan 0.000 0.455 349 S N 1.214 117.087 115.700 0.288 0.000 2.578 349 S HA 0.771 5.241 4.470 0.001 0.000 0.301 349 S C -1.781 173.088 174.600 0.448 0.000 1.091 349 S CA -0.617 57.733 58.200 0.250 0.000 1.032 349 S CB 2.166 65.565 63.200 0.332 0.000 1.064 349 S HN 0.955 nan 8.310 nan 0.000 0.508 350 Y N 0.991 121.424 120.300 0.222 0.000 2.433 350 Y HA 0.493 5.044 4.550 0.001 0.000 0.337 350 Y C -1.751 174.263 175.900 0.189 0.000 1.026 350 Y CA -0.972 57.297 58.100 0.282 0.000 1.037 350 Y CB 1.956 40.677 38.460 0.434 0.000 1.245 350 Y HN 0.860 nan 8.280 nan 0.000 0.443 351 D N 4.519 124.633 120.400 -0.477 0.000 2.461 351 D HA 0.404 5.045 4.640 0.001 0.000 0.240 351 D C 0.314 176.245 176.300 -0.616 0.000 1.094 351 D CA 0.215 54.015 54.000 -0.333 0.000 0.868 351 D CB 1.808 42.523 40.800 -0.142 0.000 1.062 351 D HN 0.804 nan 8.370 nan 0.000 0.530 352 A N 2.865 125.448 122.820 -0.394 0.000 2.015 352 A HA -0.141 4.180 4.320 0.001 0.000 0.219 352 A C 2.059 179.595 177.584 -0.080 0.000 1.163 352 A CA 1.994 53.919 52.037 -0.188 0.000 0.646 352 A CB -0.608 18.473 19.000 0.135 0.000 0.806 352 A HN 0.652 nan 8.150 nan 0.000 0.448 353 T N -0.301 114.209 114.554 -0.073 0.000 2.788 353 T HA -0.171 4.179 4.350 0.001 0.000 0.268 353 T C 1.225 175.905 174.700 -0.033 0.000 1.044 353 T CA 1.518 63.598 62.100 -0.033 0.000 1.139 353 T CB -0.479 68.370 68.868 -0.032 0.000 0.867 353 T HN 0.627 nan 8.240 nan 0.000 0.454 354 N N 0.530 119.194 118.700 -0.060 0.000 2.187 354 N HA 0.114 4.855 4.740 0.001 0.000 0.212 354 N C -0.044 175.483 175.510 0.027 0.000 1.152 354 N CA -0.270 52.768 53.050 -0.020 0.000 0.872 354 N CB -0.074 38.385 38.487 -0.047 0.000 1.025 354 N HN 0.503 nan 8.380 nan 0.000 0.514 355 K N -0.067 120.306 120.400 -0.045 0.000 3.071 355 K HA -0.210 4.110 4.320 0.001 0.000 0.265 355 K C -1.163 175.544 176.600 0.178 0.000 1.060 355 K CA 0.407 56.716 56.287 0.037 0.000 0.767 355 K CB -1.873 30.743 32.500 0.193 0.000 1.241 355 K HN 0.253 nan 8.250 nan 0.000 0.486 356 F N 1.310 121.177 119.950 -0.138 0.000 2.404 356 F HA 0.441 4.969 4.527 0.001 0.000 0.354 356 F C -0.189 175.663 175.800 0.086 0.000 1.122 356 F CA -1.418 56.587 58.000 0.008 0.000 1.080 356 F CB 0.873 39.845 39.000 -0.047 0.000 1.131 356 F HN 0.069 nan 8.300 nan 0.000 0.471 357 L N 7.433 128.635 121.223 -0.036 0.000 2.329 357 L HA 0.702 5.043 4.340 0.001 0.000 0.279 357 L C -1.409 175.430 176.870 -0.053 0.000 1.014 357 L CA -0.488 54.456 54.840 0.174 0.000 0.814 357 L CB 1.372 43.588 42.059 0.262 0.000 1.257 357 L HN 0.498 nan 8.230 nan 0.000 0.424 358 I N 3.523 124.178 120.570 0.141 0.000 2.478 358 I HA 0.298 4.469 4.170 0.001 0.000 0.287 358 I C -0.469 175.876 176.117 0.380 0.000 1.042 358 I CA -0.579 60.819 61.300 0.165 0.000 1.067 358 I CB 2.020 40.080 38.000 0.101 0.000 1.233 358 I HN 0.624 nan 8.210 nan 0.000 0.431 359 S N 7.176 123.073 115.700 0.329 0.000 2.411 359 S HA 0.599 5.069 4.470 0.001 0.000 0.294 359 S C -0.948 173.837 174.600 0.308 0.000 1.115 359 S CA -0.225 58.151 58.200 0.292 0.000 1.071 359 S CB -0.095 63.261 63.200 0.260 0.000 0.967 359 S HN 0.481 nan 8.310 nan 0.000 0.488 360 Y N 0.920 121.305 120.300 0.142 0.000 2.638 360 Y HA 0.649 5.200 4.550 0.001 0.000 0.335 360 Y C -1.244 174.691 175.900 0.060 0.000 1.155 360 Y CA -1.585 56.554 58.100 0.066 0.000 1.046 360 Y CB 0.355 38.889 38.460 0.124 0.000 1.303 360 Y HN 0.270 nan 8.280 nan 0.000 0.460 361 D N 2.253 122.678 120.400 0.041 0.000 2.225 361 D HA 0.217 4.857 4.640 0.001 0.000 0.248 361 D C -0.456 175.840 176.300 -0.006 0.000 1.096 361 D CA -0.076 53.888 54.000 -0.061 0.000 0.863 361 D CB 1.039 41.805 40.800 -0.058 0.000 1.156 361 D HN 0.707 nan 8.370 nan 0.000 0.450 362 N N 1.362 120.048 118.700 -0.024 0.000 0.000 362 N HA 0.375 5.115 4.740 0.001 0.000 0.000 362 N C -2.345 173.198 175.510 0.056 0.000 0.000 362 N CA -1.630 51.497 53.050 0.128 0.000 0.000 362 N CB -0.224 38.336 38.487 0.122 0.000 0.000 362 N HN -0.100 nan 8.380 nan 0.000 0.000 363 P HA -0.167 nan 4.420 nan 0.000 0.218 363 P C 1.342 178.671 177.300 0.047 0.000 1.148 363 P CA 1.587 64.733 63.100 0.076 0.000 0.822 363 P CB 0.203 31.966 31.700 0.105 0.000 0.784 364 Q N -0.209 119.614 119.800 0.037 0.000 2.084 364 Q HA -0.135 4.205 4.340 0.001 0.000 0.202 364 Q C 1.836 177.844 176.000 0.013 0.000 0.978 364 Q CA 1.555 57.371 55.803 0.022 0.000 0.844 364 Q CB -0.474 28.270 28.738 0.010 0.000 0.898 364 Q HN 0.032 nan 8.270 nan 0.000 0.426 365 V N 0.874 120.787 119.914 -0.002 0.000 2.515 365 V HA -0.220 3.901 4.120 0.001 0.000 0.250 365 V C 2.311 178.407 176.094 0.004 0.000 1.058 365 V CA 1.559 63.850 62.300 -0.014 0.000 1.064 365 V CB -0.836 30.962 31.823 -0.042 0.000 0.675 365 V HN 0.512 nan 8.190 nan 0.000 0.461 366 A N 0.266 123.098 122.820 0.021 0.000 1.902 366 A HA -0.216 4.105 4.320 0.001 0.000 0.217 366 A C 2.109 179.732 177.584 0.064 0.000 1.181 366 A CA 1.883 53.956 52.037 0.060 0.000 0.623 366 A CB -0.596 18.449 19.000 0.075 0.000 0.818 366 A HN 0.576 nan 8.150 nan 0.000 0.443 367 N N 0.145 118.876 118.700 0.051 0.000 2.120 367 N HA -0.099 4.641 4.740 0.001 0.000 0.188 367 N C 1.733 177.272 175.510 0.047 0.000 1.024 367 N CA 1.421 54.501 53.050 0.049 0.000 0.852 367 N CB -0.432 38.080 38.487 0.042 0.000 1.003 367 N HN 0.506 nan 8.380 nan 0.000 0.424 368 L N 1.322 122.568 121.223 0.038 0.000 2.046 368 L HA -0.143 4.198 4.340 0.001 0.000 0.208 368 L C 2.238 179.142 176.870 0.058 0.000 1.077 368 L CA 1.242 56.108 54.840 0.044 0.000 0.747 368 L CB -0.276 41.797 42.059 0.023 0.000 0.896 368 L HN 0.104 nan 8.230 nan 0.000 0.432 369 K N -0.809 119.610 120.400 0.031 0.000 2.211 369 K HA -0.141 4.179 4.320 0.001 0.000 0.203 369 K C 2.383 179.038 176.600 0.092 0.000 1.050 369 K CA 1.318 57.631 56.287 0.044 0.000 0.945 369 K CB -0.130 32.369 32.500 -0.002 0.000 0.732 369 K HN 0.143 nan 8.250 nan 0.000 0.451 370 S N 0.320 116.055 115.700 0.059 0.000 2.368 370 S HA -0.083 4.388 4.470 0.001 0.000 0.224 370 S C 2.073 176.680 174.600 0.013 0.000 1.029 370 S CA 1.372 59.582 58.200 0.018 0.000 0.988 370 S CB -0.306 62.910 63.200 0.027 0.000 0.838 370 S HN 0.463 nan 8.310 nan 0.000 0.462 371 G N -0.679 108.157 108.800 0.059 0.000 2.422 371 G HA2 -0.169 3.792 3.960 0.001 0.000 0.218 371 G HA3 -0.169 3.792 3.960 0.001 0.000 0.218 371 G C 1.269 176.235 174.900 0.110 0.000 1.140 371 G CA 0.846 45.987 45.100 0.069 0.000 0.775 371 G HN 0.614 nan 8.290 nan 0.000 0.545 372 Y N 1.087 121.385 120.300 -0.004 0.000 2.163 372 Y HA 0.013 4.564 4.550 0.001 0.000 0.288 372 Y C 2.555 178.443 175.900 -0.019 0.000 1.136 372 Y CA 1.072 59.172 58.100 -0.000 0.000 1.147 372 Y CB -0.185 38.260 38.460 -0.025 0.000 0.987 372 Y HN 0.160 nan 8.280 nan 0.000 0.509 373 I N 0.355 120.932 120.570 0.011 0.000 2.163 373 I HA -0.376 3.795 4.170 0.001 0.000 0.243 373 I C 2.332 178.397 176.117 -0.088 0.000 1.085 373 I CA 1.792 63.030 61.300 -0.102 0.000 1.347 373 I CB -0.361 37.554 38.000 -0.142 0.000 1.044 373 I HN 0.205 nan 8.210 nan 0.000 0.408 374 K N 0.421 120.774 120.400 -0.077 0.000 2.057 374 K HA -0.146 4.175 4.320 0.001 0.000 0.206 374 K C 2.277 178.899 176.600 0.036 0.000 1.050 374 K CA 1.836 58.145 56.287 0.036 0.000 0.935 374 K CB -0.354 32.165 32.500 0.031 0.000 0.715 374 K HN 0.425 nan 8.250 nan 0.000 0.439 375 S N 1.356 117.047 115.700 -0.014 0.000 2.399 375 S HA -0.067 4.403 4.470 0.001 0.000 0.231 375 S C 1.905 176.460 174.600 -0.075 0.000 1.022 375 S CA 0.807 58.993 58.200 -0.023 0.000 0.983 375 S CB -0.329 62.874 63.200 0.004 0.000 0.803 375 S HN 0.213 nan 8.310 nan 0.000 0.480 376 L N 0.732 121.852 121.223 -0.171 0.000 2.567 376 L HA 0.313 4.654 4.340 0.001 0.000 0.225 376 L C 1.672 178.490 176.870 -0.087 0.000 1.119 376 L CA 0.363 55.094 54.840 -0.182 0.000 0.871 376 L CB -0.875 40.968 42.059 -0.361 0.000 1.036 376 L HN 0.610 nan 8.230 nan 0.000 0.459 377 G N 1.456 110.246 108.800 -0.017 0.000 2.198 377 G HA2 -0.263 3.698 3.960 0.001 0.000 0.257 377 G HA3 -0.263 3.698 3.960 0.001 0.000 0.257 377 G C 0.251 175.174 174.900 0.038 0.000 1.042 377 G CA -0.074 45.050 45.100 0.040 0.000 0.791 377 G HN 0.223 nan 8.290 nan 0.000 0.502 378 L N -0.814 120.430 121.223 0.034 0.000 2.474 378 L HA 0.401 4.742 4.340 0.001 0.000 0.259 378 L C 2.037 178.965 176.870 0.096 0.000 1.232 378 L CA 0.404 55.250 54.840 0.009 0.000 0.821 378 L CB 0.277 42.305 42.059 -0.052 0.000 1.108 378 L HN 0.208 nan 8.230 nan 0.000 0.495 379 G N -0.458 108.358 108.800 0.027 0.000 2.848 379 G HA2 0.386 4.347 3.960 0.001 0.000 0.208 379 G HA3 0.386 4.347 3.960 0.001 0.000 0.208 379 G C 0.568 175.484 174.900 0.025 0.000 1.152 379 G CA 0.677 45.780 45.100 0.005 0.000 0.789 379 G HN 1.003 nan 8.290 nan 0.000 0.531 380 G N -1.557 107.282 108.800 0.065 0.000 2.278 380 G HA2 0.530 4.491 3.960 0.001 0.000 0.265 380 G HA3 0.530 4.491 3.960 0.001 0.000 0.265 380 G C -1.106 173.708 174.900 -0.144 0.000 1.329 380 G CA -0.208 44.896 45.100 0.007 0.000 1.017 380 G HN 1.118 nan 8.290 nan 0.000 0.472 381 A N -0.425 122.251 122.820 -0.240 0.000 2.374 381 A HA 0.905 5.226 4.320 0.001 0.000 0.317 381 A C -0.225 177.006 177.584 -0.589 0.000 1.094 381 A CA -0.287 51.451 52.037 -0.497 0.000 0.765 381 A CB 1.864 20.448 19.000 -0.694 0.000 1.268 381 A HN 1.761 nan 8.150 nan 0.000 0.438 382 M N 2.371 121.585 119.600 -0.643 0.000 2.501 382 M HA 0.571 5.052 4.480 0.001 0.000 0.293 382 M C -2.339 173.755 176.300 -0.344 0.000 1.192 382 M CA -0.493 54.643 55.300 -0.273 0.000 0.886 382 M CB 1.666 34.315 32.600 0.082 0.000 1.710 382 M HN 0.796 nan 8.290 nan 0.000 0.457 383 W N 3.210 124.702 121.300 0.320 0.000 2.936 383 W HA 0.436 5.096 4.660 0.001 0.000 0.338 383 W C -1.348 175.423 176.519 0.420 0.000 1.121 383 W CA -0.659 56.878 57.345 0.320 0.000 1.209 383 W CB 1.661 31.224 29.460 0.172 0.000 1.420 383 W HN 0.703 nan 8.180 nan 0.000 0.516 384 W N 4.959 126.518 121.300 0.432 0.000 2.619 384 W HA 0.336 4.997 4.660 0.001 0.000 0.327 384 W C -1.335 175.338 176.519 0.257 0.000 1.027 384 W CA -0.595 56.912 57.345 0.269 0.000 1.233 384 W CB 1.652 31.132 29.460 0.033 0.000 1.370 384 W HN 0.551 nan 8.180 nan 0.000 0.453 385 D N 0.967 121.197 120.400 -0.284 0.000 2.493 385 D HA 0.312 4.953 4.640 0.001 0.000 0.239 385 D C 0.990 177.103 176.300 -0.311 0.000 1.049 385 D CA -0.418 53.178 54.000 -0.673 0.000 1.008 385 D CB 1.727 41.696 40.800 -1.386 0.000 1.398 385 D HN 0.089 nan 8.370 nan 0.000 0.513 386 S N 0.034 115.572 115.700 -0.269 0.000 2.440 386 S HA -0.250 4.221 4.470 0.001 0.000 0.238 386 S C 1.747 176.066 174.600 -0.467 0.000 1.010 386 S CA 1.286 59.392 58.200 -0.157 0.000 0.972 386 S CB -0.990 62.297 63.200 0.146 0.000 0.774 386 S HN 0.591 nan 8.310 nan 0.000 0.501 387 S N 1.488 116.710 115.700 -0.797 0.000 2.522 387 S HA 0.040 4.511 4.470 0.001 0.000 0.227 387 S C 1.549 175.892 174.600 -0.429 0.000 0.986 387 S CA 0.546 58.077 58.200 -1.115 0.000 0.929 387 S CB -0.564 62.123 63.200 -0.854 0.000 0.769 387 S HN 0.760 nan 8.310 nan 0.000 0.529 388 S N -0.093 115.494 115.700 -0.188 0.000 2.602 388 S HA 0.285 4.755 4.470 0.001 0.000 0.240 388 S C -0.182 174.488 174.600 0.118 0.000 0.992 388 S CA -0.598 57.623 58.200 0.034 0.000 0.971 388 S CB -0.166 63.133 63.200 0.165 0.000 0.855 388 S HN 0.375 nan 8.310 nan 0.000 0.481 389 D N 2.333 122.767 120.400 0.057 0.000 2.354 389 D HA 0.336 4.977 4.640 0.001 0.000 0.247 389 D C 0.009 176.381 176.300 0.119 0.000 1.138 389 D CA -0.165 53.929 54.000 0.158 0.000 0.958 389 D CB 0.893 41.689 40.800 -0.006 0.000 1.144 389 D HN 0.173 nan 8.370 nan 0.000 0.458 390 K N -0.196 120.305 120.400 0.169 0.000 2.127 390 K HA 0.387 4.708 4.320 0.001 0.000 0.240 390 K C 0.222 176.848 176.600 0.043 0.000 1.024 390 K CA -0.573 55.729 56.287 0.025 0.000 0.918 390 K CB 0.795 33.267 32.500 -0.047 0.000 1.108 390 K HN 0.565 nan 8.250 nan 0.000 0.485 391 T N -2.212 112.353 114.554 0.017 0.000 2.937 391 T HA 0.676 5.027 4.350 0.001 0.000 0.283 391 T C 0.613 175.324 174.700 0.018 0.000 1.012 391 T CA -0.192 61.918 62.100 0.017 0.000 0.997 391 T CB 1.429 70.306 68.868 0.014 0.000 1.136 391 T HN 0.839 nan 8.240 nan 0.000 0.551 392 G N 0.896 109.705 108.800 0.015 0.000 2.642 392 G HA2 -0.242 3.718 3.960 0.001 0.000 0.231 392 G HA3 -0.242 3.718 3.960 0.001 0.000 0.231 392 G C 0.946 175.860 174.900 0.025 0.000 1.338 392 G CA 0.789 45.899 45.100 0.016 0.000 0.883 392 G HN 1.923 nan 8.290 nan 0.000 0.570 393 S N -0.914 114.802 115.700 0.027 0.000 2.447 393 S HA -0.012 4.458 4.470 0.001 0.000 0.233 393 S C 1.380 176.014 174.600 0.057 0.000 1.006 393 S CA 1.950 60.171 58.200 0.034 0.000 0.957 393 S CB 0.064 63.282 63.200 0.029 0.000 0.773 393 S HN 0.560 nan 8.310 nan 0.000 0.507 394 D N 1.911 122.353 120.400 0.070 0.000 2.349 394 D HA 0.126 4.767 4.640 0.001 0.000 0.224 394 D C 0.573 176.996 176.300 0.206 0.000 1.029 394 D CA 0.257 54.335 54.000 0.130 0.000 0.879 394 D CB -0.032 40.828 40.800 0.100 0.000 0.906 394 D HN 0.460 nan 8.370 nan 0.000 0.528 395 S N 0.426 116.200 115.700 0.123 0.000 2.537 395 S HA 0.053 4.523 4.470 0.001 0.000 0.286 395 S C 1.555 176.174 174.600 0.033 0.000 1.299 395 S CA -0.477 57.782 58.200 0.098 0.000 1.067 395 S CB 0.438 63.644 63.200 0.009 0.000 0.864 395 S HN 0.118 nan 8.310 nan 0.000 0.494 396 L N 5.330 126.523 121.223 -0.049 0.000 2.156 396 L HA -0.056 4.285 4.340 0.001 0.000 0.208 396 L C 2.181 178.934 176.870 -0.196 0.000 1.095 396 L CA 0.977 55.738 54.840 -0.132 0.000 0.770 396 L CB -0.459 41.452 42.059 -0.246 0.000 0.914 396 L HN 0.732 nan 8.230 nan 0.000 0.439 397 I N -0.279 119.986 120.570 -0.509 0.000 2.179 397 I HA -0.268 3.903 4.170 0.001 0.000 0.242 397 I C 2.525 178.526 176.117 -0.194 0.000 1.088 397 I CA 1.560 62.412 61.300 -0.747 0.000 1.357 397 I CB -0.513 36.945 38.000 -0.903 0.000 1.051 397 I HN 0.241 nan 8.210 nan 0.000 0.409 398 T N 0.034 114.524 114.554 -0.107 0.000 2.746 398 T HA -0.167 4.183 4.350 0.001 0.000 0.267 398 T C 1.898 176.620 174.700 0.037 0.000 1.039 398 T CA 2.024 64.120 62.100 -0.007 0.000 1.142 398 T CB -0.385 68.481 68.868 -0.003 0.000 0.866 398 T HN 0.367 nan 8.240 nan 0.000 0.444 399 T N 1.863 116.439 114.554 0.037 0.000 2.684 399 T HA -0.092 4.258 4.350 0.001 0.000 0.267 399 T C 2.178 176.938 174.700 0.100 0.000 1.036 399 T CA 1.105 63.243 62.100 0.063 0.000 1.148 399 T CB -0.557 68.349 68.868 0.063 0.000 0.863 399 T HN 0.155 nan 8.240 nan 0.000 0.436 400 V N 1.065 121.077 119.914 0.163 0.000 2.307 400 V HA -0.135 3.986 4.120 0.001 0.000 0.245 400 V C 2.678 178.894 176.094 0.204 0.000 1.045 400 V CA 1.242 63.678 62.300 0.228 0.000 1.024 400 V CB -0.720 31.386 31.823 0.471 0.000 0.651 400 V HN 0.298 nan 8.190 nan 0.000 0.449 401 V N 0.816 120.876 119.914 0.243 0.000 2.287 401 V HA -0.282 3.839 4.120 0.001 0.000 0.248 401 V C 2.378 178.544 176.094 0.120 0.000 1.053 401 V CA 2.314 64.765 62.300 0.251 0.000 1.027 401 V CB -0.900 31.094 31.823 0.285 0.000 0.646 401 V HN 0.571 nan 8.190 nan 0.000 0.447 402 N N 0.633 119.380 118.700 0.078 0.000 2.084 402 N HA -0.130 4.610 4.740 0.001 0.000 0.190 402 N C 1.852 177.387 175.510 0.041 0.000 1.030 402 N CA 1.761 54.835 53.050 0.040 0.000 0.849 402 N CB -0.642 37.865 38.487 0.033 0.000 1.012 402 N HN 0.497 nan 8.380 nan 0.000 0.423 403 A N 0.757 123.609 122.820 0.052 0.000 2.019 403 A HA -0.014 4.306 4.320 0.001 0.000 0.219 403 A C 2.192 179.787 177.584 0.018 0.000 1.164 403 A CA 0.792 52.852 52.037 0.038 0.000 0.644 403 A CB -0.553 18.474 19.000 0.045 0.000 0.805 403 A HN 0.243 nan 8.150 nan 0.000 0.449 404 L N -1.883 119.348 121.223 0.013 0.000 2.478 404 L HA 0.152 4.492 4.340 0.001 0.000 0.223 404 L C 1.665 178.565 176.870 0.050 0.000 1.140 404 L CA 0.720 55.531 54.840 -0.047 0.000 0.842 404 L CB -0.035 41.961 42.059 -0.106 0.000 0.953 404 L HN 0.593 nan 8.230 nan 0.000 0.452 405 G N -1.043 107.788 108.800 0.050 0.000 2.198 405 G HA2 0.071 4.031 3.960 0.001 0.000 0.156 405 G HA3 0.071 4.031 3.960 0.001 0.000 0.156 405 G C 0.503 175.404 174.900 0.003 0.000 1.012 405 G CA -0.322 44.806 45.100 0.048 0.000 0.692 405 G HN 0.713 nan 8.290 nan 0.000 0.492 406 G N -1.375 107.408 108.800 -0.029 0.000 2.712 406 G HA2 0.276 4.236 3.960 0.001 0.000 0.683 406 G HA3 0.276 4.236 3.960 0.001 0.000 0.683 406 G C 0.991 175.676 174.900 -0.358 0.000 1.320 406 G CA 0.839 45.859 45.100 -0.133 0.000 0.847 406 G HN 1.811 nan 8.290 nan 0.000 0.553 407 T N -1.940 112.279 114.554 -0.559 0.000 2.977 407 T HA 0.121 4.471 4.350 0.001 0.000 0.271 407 T C 2.494 176.826 174.700 -0.614 0.000 1.105 407 T CA 1.894 63.328 62.100 -1.110 0.000 1.116 407 T CB -0.304 68.145 68.868 -0.699 0.000 0.878 407 T HN 1.949 nan 8.240 nan 0.000 0.509 408 G N 1.676 110.307 108.800 -0.280 0.000 2.471 408 G HA2 -0.057 3.903 3.960 0.001 0.000 0.219 408 G HA3 -0.057 3.903 3.960 0.001 0.000 0.219 408 G C 1.499 176.382 174.900 -0.029 0.000 1.125 408 G CA 0.888 45.920 45.100 -0.113 0.000 0.775 408 G HN 0.750 nan 8.290 nan 0.000 0.548 409 V N -3.013 116.904 119.914 0.006 0.000 3.649 409 V HA 0.406 4.527 4.120 0.001 0.000 0.275 409 V C 0.544 176.832 176.094 0.322 0.000 1.281 409 V CA -1.011 61.388 62.300 0.165 0.000 1.143 409 V CB -0.996 31.000 31.823 0.289 0.000 0.892 409 V HN -0.030 nan 8.190 nan 0.000 0.441 410 F N 2.288 122.303 119.950 0.109 0.000 2.506 410 F HA 0.348 4.875 4.527 0.001 0.000 0.351 410 F C 1.015 176.845 175.800 0.050 0.000 1.136 410 F CA -1.358 56.704 58.000 0.102 0.000 1.298 410 F CB 0.340 39.394 39.000 0.089 0.000 1.145 410 F HN 0.310 nan 8.300 nan 0.000 0.593 411 E N 2.445 122.768 120.200 0.205 0.000 2.414 411 E HA -0.021 4.330 4.350 0.001 0.000 0.263 411 E C -0.902 175.770 176.600 0.121 0.000 1.000 411 E CA -0.351 56.111 56.400 0.102 0.000 0.914 411 E CB 0.494 30.229 29.700 0.060 0.000 0.948 411 E HN 0.384 nan 8.360 nan 0.000 0.444 412 Q N 2.331 122.184 119.800 0.088 0.000 2.322 412 Q HA 0.325 4.665 4.340 0.001 0.000 0.265 412 Q C -1.140 174.893 176.000 0.057 0.000 0.985 412 Q CA -0.534 55.315 55.803 0.076 0.000 0.849 412 Q CB 1.886 30.661 28.738 0.062 0.000 1.274 412 Q HN 0.540 nan 8.270 nan 0.000 0.449 413 S N 2.273 118.001 115.700 0.048 0.000 2.584 413 S HA 0.191 4.661 4.470 0.001 0.000 0.282 413 S C -0.679 173.938 174.600 0.028 0.000 1.138 413 S CA -0.873 57.355 58.200 0.046 0.000 0.987 413 S CB 1.109 64.356 63.200 0.078 0.000 1.137 413 S HN 0.389 nan 8.310 nan 0.000 0.457 414 Q N 3.239 123.051 119.800 0.020 0.000 2.304 414 Q HA 0.079 4.420 4.340 0.001 0.000 0.301 414 Q C 0.619 176.629 176.000 0.017 0.000 1.063 414 Q CA 0.524 56.333 55.803 0.010 0.000 0.947 414 Q CB 0.256 28.996 28.738 0.003 0.000 1.201 414 Q HN 0.901 nan 8.270 nan 0.000 0.389 415 N N 0.965 119.674 118.700 0.014 0.000 2.322 415 N HA 0.086 4.827 4.740 0.001 0.000 0.270 415 N C -0.531 175.021 175.510 0.069 0.000 1.286 415 N CA -0.434 52.646 53.050 0.050 0.000 0.948 415 N CB 0.505 39.011 38.487 0.032 0.000 1.164 415 N HN 0.396 nan 8.380 nan 0.000 0.551 416 E N -1.095 119.200 120.200 0.158 0.000 2.156 416 E HA 0.331 4.681 4.350 0.001 0.000 0.279 416 E C -0.666 176.072 176.600 0.230 0.000 0.965 416 E CA -0.466 56.031 56.400 0.162 0.000 0.789 416 E CB 0.770 30.642 29.700 0.287 0.000 1.098 416 E HN 0.559 nan 8.360 nan 0.000 0.397 417 L N 3.093 124.401 121.223 0.140 0.000 2.672 417 L HA 0.340 4.681 4.340 0.001 0.000 0.236 417 L C -0.212 176.860 176.870 0.337 0.000 1.092 417 L CA 0.339 55.325 54.840 0.245 0.000 0.887 417 L CB 0.242 42.353 42.059 0.087 0.000 1.168 417 L HN 0.574 nan 8.230 nan 0.000 0.502 418 D N -0.965 119.460 120.400 0.042 0.000 2.317 418 D HA 0.235 4.876 4.640 0.001 0.000 0.234 418 D C -1.214 174.891 176.300 -0.326 0.000 1.112 418 D CA -0.081 53.906 54.000 -0.021 0.000 0.840 418 D CB 0.491 41.271 40.800 -0.032 0.000 1.078 418 D HN -0.048 nan 8.370 nan 0.000 0.486 419 Y N 4.925 125.299 120.300 0.122 0.000 2.748 419 Y HA 0.255 4.806 4.550 0.001 0.000 0.359 419 Y C -1.536 174.405 175.900 0.068 0.000 1.030 419 Y CA -1.600 56.570 58.100 0.116 0.000 1.169 419 Y CB 1.606 40.092 38.460 0.043 0.000 1.127 419 Y HN 0.405 nan 8.280 nan 0.000 0.644 420 P HA -0.155 nan 4.420 nan 0.000 0.220 420 P C 0.819 178.163 177.300 0.074 0.000 1.148 420 P CA 1.452 64.592 63.100 0.068 0.000 0.803 420 P CB 0.423 32.138 31.700 0.025 0.000 0.782 421 V N -3.449 116.537 119.914 0.119 0.000 3.043 421 V HA 0.321 4.442 4.120 0.001 0.000 0.357 421 V C 0.707 176.837 176.094 0.060 0.000 1.372 421 V CA -0.658 61.695 62.300 0.089 0.000 1.214 421 V CB -0.723 31.170 31.823 0.117 0.000 1.224 421 V HN -0.023 nan 8.190 nan 0.000 0.507 422 S N 1.603 117.339 115.700 0.061 0.000 2.531 422 S HA 0.164 4.635 4.470 0.001 0.000 0.279 422 S C 1.343 175.880 174.600 -0.105 0.000 1.305 422 S CA 0.317 58.514 58.200 -0.005 0.000 1.058 422 S CB 1.272 64.488 63.200 0.027 0.000 0.899 422 S HN 0.835 nan 8.310 nan 0.000 0.493 423 Q N 3.354 122.999 119.800 -0.258 0.000 2.436 423 Q HA -0.025 4.316 4.340 0.001 0.000 0.209 423 Q C -0.751 174.967 176.000 -0.470 0.000 0.965 423 Q CA 1.045 56.618 55.803 -0.383 0.000 0.910 423 Q CB -0.270 28.156 28.738 -0.521 0.000 0.980 423 Q HN 0.732 nan 8.270 nan 0.000 0.491 424 Y N 2.017 122.258 120.300 -0.098 0.000 2.367 424 Y HA 0.173 4.723 4.550 0.001 0.000 0.342 424 Y C 0.660 176.485 175.900 -0.125 0.000 0.979 424 Y CA -1.193 56.831 58.100 -0.127 0.000 1.161 424 Y CB 0.989 39.330 38.460 -0.197 0.000 1.155 424 Y HN 0.036 nan 8.280 nan 0.000 0.503 425 D N 1.877 122.299 120.400 0.037 0.000 2.104 425 D HA -0.218 4.422 4.640 0.001 0.000 0.194 425 D C 1.565 177.847 176.300 -0.031 0.000 0.994 425 D CA 1.824 55.825 54.000 0.000 0.000 0.830 425 D CB 0.045 40.853 40.800 0.014 0.000 0.959 425 D HN 0.665 nan 8.370 nan 0.000 0.452 426 N N 1.654 120.318 118.700 -0.059 0.000 2.166 426 N HA -0.170 4.570 4.740 0.001 0.000 0.186 426 N C 2.073 177.463 175.510 -0.200 0.000 1.019 426 N CA 0.755 53.731 53.050 -0.124 0.000 0.856 426 N CB -1.010 37.363 38.487 -0.189 0.000 0.993 426 N HN 0.282 nan 8.380 nan 0.000 0.426 427 L N 0.120 121.189 121.223 -0.257 0.000 2.095 427 L HA 0.092 4.432 4.340 0.001 0.000 0.204 427 L C 2.886 179.590 176.870 -0.276 0.000 1.080 427 L CA 0.722 55.293 54.840 -0.448 0.000 0.759 427 L CB -0.217 41.542 42.059 -0.499 0.000 0.914 427 L HN 0.086 nan 8.230 nan 0.000 0.439 428 R N 0.098 120.532 120.500 -0.109 0.000 2.127 428 R HA -0.180 4.161 4.340 0.001 0.000 0.238 428 R C 1.131 177.424 176.300 -0.011 0.000 1.134 428 R CA 2.020 58.110 56.100 -0.016 0.000 0.975 428 R CB -0.277 30.022 30.300 -0.002 0.000 0.865 428 R HN 0.522 nan 8.270 nan 0.000 0.447 429 N N -1.013 117.663 118.700 -0.039 0.000 2.313 429 N HA 0.111 4.852 4.740 0.001 0.000 0.207 429 N C 0.104 175.613 175.510 -0.001 0.000 1.141 429 N CA 0.346 53.389 53.050 -0.012 0.000 0.830 429 N CB 1.128 39.608 38.487 -0.012 0.000 1.008 429 N HN 0.395 nan 8.380 nan 0.000 0.481 430 G N 1.303 110.094 108.800 -0.015 0.000 2.143 430 G HA2 -0.336 3.625 3.960 0.001 0.000 0.248 430 G HA3 -0.336 3.625 3.960 0.001 0.000 0.248 430 G C 0.337 175.303 174.900 0.109 0.000 0.991 430 G CA 0.119 45.277 45.100 0.097 0.000 0.689 430 G HN 0.317 nan 8.290 nan 0.000 0.522 431 M N -0.664 118.898 119.600 -0.063 0.000 2.917 431 M HA -0.139 4.342 4.480 0.001 0.000 0.176 431 M C 0.673 176.984 176.300 0.019 0.000 1.181 431 M CA 0.510 55.785 55.300 -0.042 0.000 0.723 431 M CB -1.057 31.560 32.600 0.028 0.000 1.207 431 M HN 0.583 nan 8.290 nan 0.000 0.761 432 Q N 0.000 119.801 119.800 0.001 0.000 2.315 432 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 432 Q CA 0.000 55.808 55.803 0.008 0.000 1.022 432 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 432 Q HN 0.000 nan 8.270 nan 0.000 0.481