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 1nou_1_A DATA FIRST_RESID 55 DATA SEQUENCE ALWPLPLSVK MTPNLLHLAP ENFYISHSPN STAGPScTLL EEAFRRYHGY DATA SEQUENCE IFGXXXXXXX XXXXXXXTQV QQLLVSITLQ SEcDAFPNIS SDESYTLLVK DATA SEQUENCE EPVAVLKANR VWGALRGLET FSQLVYQDSY GTFTINESTI IDSPRFSHRG DATA SEQUENCE ILIDTSRHYL PVKIILKTLD AMAFNKFNVL HWHIVDDQSF PYQSITFPEL DATA SEQUENCE SNKGSYSLSH VYTPNDVRMV IEYARLRGIR VLPEFDTPGH TLSWGKGQKD DATA SEQUENCE LLTPcYSXXX XLDSFGPINP TLNTTYSFLT TFFKEISEVF PDQFIHLGGD DATA SEQUENCE EVEFKcWESN PKIQDFMRQK GFGTDFKKLE SFYIQKVLDI IATINKGSIV DATA SEQUENCE WQEVFDDKAK LAPGTIVEVW KDSAYPEELS RVTASGFPVI LSAPWYLDLI DATA SEQUENCE SYGQDWRKYY KVEPLDFGGT QKQKQLFIGG EACLWGEYVD ATNLTPRLWP DATA SEQUENCE RASAVGERLW SSKDVRDMDD AYDRLTRHRc RMVERGIAAQ PLYAGYcN 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 55 A HA 0.000 nan 4.320 nan 0.000 0.244 55 A C 0.000 177.593 177.584 0.015 0.000 1.274 55 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 55 A CB 0.000 18.966 19.000 -0.057 0.000 0.831 56 L N 0.825 122.059 121.223 0.019 0.000 2.307 56 L HA 0.678 5.018 4.340 -0.001 0.000 0.282 56 L C -0.267 176.615 176.870 0.019 0.000 1.051 56 L CA -0.495 54.344 54.840 -0.001 0.000 0.804 56 L CB 1.363 43.405 42.059 -0.028 0.000 1.197 56 L HN 0.613 nan 8.230 nan 0.000 0.431 57 W N 5.380 126.513 121.300 -0.279 0.000 3.423 57 W HA 0.326 4.985 4.660 -0.001 0.000 0.330 57 W C -2.912 173.345 176.519 -0.437 0.000 1.102 57 W CA -1.597 55.494 57.345 -0.423 0.000 1.261 57 W CB 2.309 31.266 29.460 -0.838 0.000 1.283 57 W HN 0.236 nan 8.180 nan 0.000 0.447 58 P HA 0.031 nan 4.420 nan 0.000 0.272 58 P C -0.267 176.759 177.300 -0.457 0.000 1.230 58 P CA -0.297 62.340 63.100 -0.771 0.000 0.788 58 P CB 0.790 32.187 31.700 -0.505 0.000 0.949 59 L N 4.915 125.903 121.223 -0.390 0.000 2.477 59 L HA 0.230 4.569 4.340 -0.001 0.000 0.272 59 L C -2.231 174.631 176.870 -0.014 0.000 1.157 59 L CA -1.473 53.271 54.840 -0.160 0.000 0.889 59 L CB -0.521 41.466 42.059 -0.121 0.000 1.158 59 L HN 0.289 nan 8.230 nan 0.000 0.473 60 P HA -0.028 nan 4.420 nan 0.000 0.269 60 P C 0.558 177.907 177.300 0.083 0.000 1.215 60 P CA -0.366 62.808 63.100 0.123 0.000 0.780 60 P CB 0.558 32.307 31.700 0.082 0.000 0.898 61 L N 2.126 123.398 121.223 0.082 0.000 1.997 61 L HA -0.143 4.196 4.340 -0.001 0.000 0.216 61 L C 0.676 177.537 176.870 -0.014 0.000 1.074 61 L CA 2.232 57.071 54.840 -0.002 0.000 0.763 61 L CB -0.735 41.290 42.059 -0.056 0.000 0.890 61 L HN 0.390 nan 8.230 nan 0.000 0.434 62 S N -1.062 114.627 115.700 -0.018 0.000 2.647 62 S HA 0.646 5.115 4.470 -0.001 0.000 0.300 62 S C -1.180 173.418 174.600 -0.003 0.000 1.129 62 S CA -0.707 57.483 58.200 -0.016 0.000 1.029 62 S CB 1.194 64.378 63.200 -0.027 0.000 1.007 62 S HN 0.018 nan 8.310 nan 0.000 0.484 63 V N 5.663 125.580 119.914 0.005 0.000 2.443 63 V HA 0.553 4.673 4.120 -0.001 0.000 0.293 63 V C -0.707 175.395 176.094 0.012 0.000 1.021 63 V CA -0.681 61.627 62.300 0.014 0.000 0.848 63 V CB 1.697 33.529 31.823 0.015 0.000 0.998 63 V HN 0.863 nan 8.190 nan 0.000 0.424 64 K N 6.087 126.497 120.400 0.016 0.000 2.502 64 K HA 0.732 5.051 4.320 -0.001 0.000 0.254 64 K C -1.002 175.610 176.600 0.020 0.000 0.947 64 K CA -0.494 55.802 56.287 0.015 0.000 0.834 64 K CB 2.060 34.567 32.500 0.013 0.000 1.112 64 K HN 0.544 nan 8.250 nan 0.000 0.427 65 M N 1.466 121.077 119.600 0.018 0.000 2.664 65 M HA 0.385 4.864 4.480 -0.001 0.000 0.314 65 M C 0.232 176.543 176.300 0.018 0.000 1.200 65 M CA -0.877 54.435 55.300 0.020 0.000 0.916 65 M CB 2.107 34.718 32.600 0.019 0.000 1.717 65 M HN 0.663 nan 8.290 nan 0.000 0.470 66 T N -2.457 112.109 114.554 0.019 0.000 2.950 66 T HA 0.583 4.933 4.350 -0.001 0.000 0.288 66 T C -2.435 172.275 174.700 0.018 0.000 1.035 66 T CA -1.676 60.434 62.100 0.016 0.000 1.028 66 T CB 1.670 70.546 68.868 0.014 0.000 1.109 66 T HN 0.381 nan 8.240 nan 0.000 0.514 67 P HA 0.175 nan 4.420 nan 0.000 0.245 67 P C -0.161 177.149 177.300 0.017 0.000 1.212 67 P CA -0.027 63.085 63.100 0.019 0.000 0.774 67 P CB -0.284 31.425 31.700 0.016 0.000 0.999 68 N N 0.335 119.040 118.700 0.008 0.000 2.420 68 N HA 0.178 4.917 4.740 -0.001 0.000 0.262 68 N C -0.511 174.987 175.510 -0.020 0.000 1.144 68 N CA -0.015 53.030 53.050 -0.008 0.000 0.952 68 N CB 0.055 38.536 38.487 -0.010 0.000 1.081 68 N HN -0.040 nan 8.380 nan 0.000 0.480 69 L N 3.807 125.002 121.223 -0.047 0.000 2.334 69 L HA 0.488 4.827 4.340 -0.001 0.000 0.277 69 L C -0.340 176.389 176.870 -0.235 0.000 1.075 69 L CA -0.701 54.083 54.840 -0.093 0.000 0.804 69 L CB 0.817 42.842 42.059 -0.057 0.000 1.174 69 L HN 0.310 nan 8.230 nan 0.000 0.438 70 L N 2.167 123.246 121.223 -0.241 0.000 2.370 70 L HA 0.568 4.908 4.340 -0.001 0.000 0.266 70 L C -0.749 175.955 176.870 -0.275 0.000 1.002 70 L CA -0.988 53.683 54.840 -0.281 0.000 0.818 70 L CB 1.979 43.977 42.059 -0.101 0.000 1.325 70 L HN 0.486 nan 8.230 nan 0.000 0.418 71 H N 1.986 121.042 119.070 -0.024 0.000 2.573 71 H HA 0.703 5.258 4.556 -0.001 0.000 0.351 71 H C -0.935 174.393 175.328 0.000 0.000 1.163 71 H CA -0.720 55.315 56.048 -0.022 0.000 1.205 71 H CB 2.144 31.903 29.762 -0.005 0.000 1.605 71 H HN 0.232 nan 8.280 nan 0.000 0.525 72 L N 0.828 122.147 121.223 0.160 0.000 2.362 72 L HA 0.603 4.943 4.340 -0.001 0.000 0.271 72 L C 0.029 176.964 176.870 0.108 0.000 1.002 72 L CA -0.760 54.124 54.840 0.074 0.000 0.818 72 L CB 1.912 43.909 42.059 -0.102 0.000 1.298 72 L HN 0.702 nan 8.230 nan 0.000 0.420 73 A N 3.372 126.203 122.820 0.018 0.000 2.267 73 A HA 0.714 5.034 4.320 -0.001 0.000 0.315 73 A C -2.016 175.377 177.584 -0.319 0.000 1.297 73 A CA -1.365 50.630 52.037 -0.068 0.000 0.865 73 A CB 0.573 19.555 19.000 -0.030 0.000 1.165 73 A HN 0.584 nan 8.150 nan 0.000 0.513 74 P HA -0.195 nan 4.420 nan 0.000 0.215 74 P C 0.782 177.806 177.300 -0.460 0.000 1.157 74 P CA 1.402 63.771 63.100 -1.218 0.000 0.874 74 P CB 0.299 31.408 31.700 -0.985 0.000 0.790 75 E N -1.731 118.327 120.200 -0.235 0.000 2.445 75 E HA 0.015 4.364 4.350 -0.001 0.000 0.189 75 E C 0.375 176.924 176.600 -0.085 0.000 1.069 75 E CA 0.127 56.463 56.400 -0.106 0.000 0.871 75 E CB -0.443 29.221 29.700 -0.061 0.000 0.991 75 E HN 0.125 nan 8.360 nan 0.000 0.481 76 N N 0.263 118.866 118.700 -0.162 0.000 2.598 76 N HA 0.052 4.792 4.740 -0.001 0.000 0.295 76 N C -1.740 173.509 175.510 -0.434 0.000 1.729 76 N CA -0.266 52.631 53.050 -0.254 0.000 0.877 76 N CB 0.141 38.567 38.487 -0.103 0.000 1.405 76 N HN -0.036 nan 8.380 nan 0.000 0.491 77 F N 1.490 121.058 119.950 -0.636 0.000 2.562 77 F HA 0.499 5.026 4.527 -0.001 0.000 0.319 77 F C -1.813 173.761 175.800 -0.376 0.000 1.154 77 F CA -0.657 57.047 58.000 -0.493 0.000 0.931 77 F CB 0.758 39.666 39.000 -0.153 0.000 1.198 77 F HN -0.082 nan 8.300 nan 0.000 0.444 78 Y N 5.675 125.565 120.300 -0.685 0.000 2.524 78 Y HA 0.703 5.253 4.550 -0.001 0.000 0.344 78 Y C -0.541 174.884 175.900 -0.793 0.000 1.012 78 Y CA -1.704 56.102 58.100 -0.489 0.000 1.068 78 Y CB 1.485 39.772 38.460 -0.289 0.000 1.249 78 Y HN 0.365 nan 8.280 nan 0.000 0.468 79 I N 2.763 123.101 120.570 -0.386 0.000 2.362 79 I HA 0.574 4.744 4.170 -0.001 0.000 0.289 79 I C -0.479 175.174 176.117 -0.774 0.000 0.994 79 I CA -0.279 60.621 61.300 -0.666 0.000 1.158 79 I CB 1.377 38.977 38.000 -0.665 0.000 1.315 79 I HN 0.784 nan 8.210 nan 0.000 0.451 80 S N 3.896 119.165 115.700 -0.719 0.000 2.671 80 S HA 0.515 4.984 4.470 -0.001 0.000 0.277 80 S C -0.841 173.563 174.600 -0.327 0.000 1.165 80 S CA -1.035 56.907 58.200 -0.430 0.000 0.822 80 S CB 1.599 64.700 63.200 -0.166 0.000 1.150 80 S HN 0.469 nan 8.310 nan 0.000 0.479 81 H N 1.954 121.067 119.070 0.071 0.000 2.767 81 H HA 0.365 4.921 4.556 -0.001 0.000 0.316 81 H C 0.695 176.024 175.328 0.001 0.000 1.059 81 H CA 0.274 56.371 56.048 0.082 0.000 1.461 81 H CB 0.904 30.723 29.762 0.094 0.000 1.475 81 H HN 0.830 nan 8.280 nan 0.000 0.531 82 S N 4.298 120.054 115.700 0.094 0.000 2.562 82 S HA 0.041 4.510 4.470 -0.001 0.000 0.281 82 S C -1.399 173.233 174.600 0.052 0.000 1.333 82 S CA -1.186 57.038 58.200 0.041 0.000 1.052 82 S CB 1.405 64.617 63.200 0.019 0.000 0.884 82 S HN 0.459 nan 8.310 nan 0.000 0.506 83 P HA -0.144 nan 4.420 nan 0.000 0.219 83 P C 0.741 178.047 177.300 0.010 0.000 1.146 83 P CA 1.236 64.345 63.100 0.015 0.000 0.808 83 P CB -0.271 31.431 31.700 0.004 0.000 0.779 84 N N -0.853 117.854 118.700 0.013 0.000 2.398 84 N HA -0.022 4.717 4.740 -0.001 0.000 0.188 84 N C 0.542 176.060 175.510 0.012 0.000 1.122 84 N CA 0.020 53.075 53.050 0.009 0.000 0.866 84 N CB -0.792 37.700 38.487 0.008 0.000 0.970 84 N HN -0.068 nan 8.380 nan 0.000 0.462 85 S N -0.006 115.708 115.700 0.025 0.000 2.579 85 S HA 0.111 4.580 4.470 -0.001 0.000 0.275 85 S C 1.357 175.957 174.600 0.000 0.000 1.345 85 S CA 0.093 58.312 58.200 0.031 0.000 1.031 85 S CB 0.504 63.755 63.200 0.085 0.000 0.892 85 S HN 0.505 nan 8.310 nan 0.000 0.529 86 T N 1.433 115.983 114.554 -0.007 0.000 3.088 86 T HA 0.364 4.713 4.350 -0.001 0.000 0.259 86 T C 0.556 175.218 174.700 -0.063 0.000 1.122 86 T CA 0.341 62.422 62.100 -0.032 0.000 1.095 86 T CB -0.170 68.682 68.868 -0.027 0.000 0.930 86 T HN 0.699 nan 8.240 nan 0.000 0.508 87 A N 0.148 122.931 122.820 -0.061 0.000 2.306 87 A HA 0.860 5.179 4.320 -0.001 0.000 0.330 87 A C 0.476 177.848 177.584 -0.353 0.000 1.146 87 A CA -0.261 51.695 52.037 -0.135 0.000 0.827 87 A CB 1.142 20.123 19.000 -0.031 0.000 1.178 87 A HN 0.611 nan 8.150 nan 0.000 0.490 88 G N -0.727 107.724 108.800 -0.581 0.000 2.870 88 G HA2 0.564 4.523 3.960 -0.001 0.000 0.299 88 G HA3 0.564 4.523 3.960 -0.001 0.000 0.299 88 G C -2.512 171.930 174.900 -0.763 0.000 1.324 88 G CA -0.699 43.882 45.100 -0.866 0.000 0.808 88 G HN 0.298 nan 8.290 nan 0.000 0.535 89 P HA -0.060 nan 4.420 nan 0.000 0.217 89 P C 1.979 179.213 177.300 -0.109 0.000 1.148 89 P CA 1.734 64.767 63.100 -0.111 0.000 0.828 89 P CB 0.147 31.811 31.700 -0.060 0.000 0.783 90 S N -1.477 114.140 115.700 -0.138 0.000 2.419 90 S HA -0.140 4.330 4.470 -0.001 0.000 0.235 90 S C 1.173 175.703 174.600 -0.116 0.000 1.019 90 S CA 0.599 58.733 58.200 -0.110 0.000 0.982 90 S CB -1.226 61.911 63.200 -0.106 0.000 0.789 90 S HN 0.269 nan 8.310 nan 0.000 0.490 91 c N 3.845 122.356 118.600 -0.147 0.000 2.551 91 c HA 0.218 4.788 4.570 -0.001 0.000 0.369 91 c C 1.977 175.983 174.090 -0.139 0.000 1.154 91 c CA -0.366 55.878 56.329 -0.142 0.000 1.456 91 c CB -1.969 40.453 42.510 -0.146 0.000 2.037 91 c HN 0.498 nan 8.230 nan 0.000 0.547 92 T N 4.330 118.810 114.554 -0.122 0.000 2.720 92 T HA -0.233 4.117 4.350 -0.001 0.000 0.268 92 T C 1.781 176.396 174.700 -0.141 0.000 1.037 92 T CA 1.971 64.004 62.100 -0.113 0.000 1.144 92 T CB -0.211 68.606 68.868 -0.085 0.000 0.864 92 T HN 0.814 nan 8.240 nan 0.000 0.444 93 L N 0.380 121.512 121.223 -0.152 0.000 2.012 93 L HA -0.093 4.247 4.340 -0.001 0.000 0.210 93 L C 2.274 179.019 176.870 -0.208 0.000 1.073 93 L CA 1.557 56.302 54.840 -0.158 0.000 0.748 93 L CB -0.284 41.668 42.059 -0.178 0.000 0.891 93 L HN 0.270 nan 8.230 nan 0.000 0.431 94 L N -0.772 120.276 121.223 -0.292 0.000 2.109 94 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 94 L C 2.719 179.028 176.870 -0.936 0.000 1.086 94 L CA 0.728 55.241 54.840 -0.545 0.000 0.760 94 L CB -0.633 41.125 42.059 -0.501 0.000 0.910 94 L HN 0.289 nan 8.230 nan 0.000 0.437 95 E N 0.176 120.022 120.200 -0.589 0.000 2.077 95 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 95 E C 2.098 178.574 176.600 -0.206 0.000 0.989 95 E CA 1.035 57.186 56.400 -0.414 0.000 0.800 95 E CB -0.077 29.526 29.700 -0.162 0.000 0.746 95 E HN 0.428 nan 8.360 nan 0.000 0.452 96 E N 0.571 120.681 120.200 -0.150 0.000 2.106 96 E HA -0.085 4.264 4.350 -0.001 0.000 0.192 96 E C 1.990 178.586 176.600 -0.007 0.000 0.984 96 E CA 0.910 57.271 56.400 -0.065 0.000 0.806 96 E CB -0.262 29.397 29.700 -0.068 0.000 0.750 96 E HN 0.205 nan 8.360 nan 0.000 0.458 97 A N 1.104 123.924 122.820 0.001 0.000 1.902 97 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 97 A C 1.987 179.807 177.584 0.395 0.000 1.181 97 A CA 0.996 53.157 52.037 0.207 0.000 0.623 97 A CB -0.669 18.451 19.000 0.199 0.000 0.818 97 A HN 0.112 nan 8.150 nan 0.000 0.443 98 F N -0.036 119.971 119.950 0.095 0.000 2.095 98 F HA -0.139 4.387 4.527 -0.001 0.000 0.298 98 F C 2.431 178.311 175.800 0.134 0.000 1.104 98 F CA 1.415 59.468 58.000 0.087 0.000 1.232 98 F CB -1.048 37.944 39.000 -0.013 0.000 0.987 98 F HN 0.293 nan 8.300 nan 0.000 0.475 99 R N 0.909 121.565 120.500 0.261 0.000 2.073 99 R HA -0.134 4.205 4.340 -0.001 0.000 0.229 99 R C 2.482 178.825 176.300 0.072 0.000 1.120 99 R CA 1.435 57.619 56.100 0.142 0.000 0.967 99 R CB -0.128 30.203 30.300 0.052 0.000 0.862 99 R HN 0.341 nan 8.270 nan 0.000 0.436 100 R N -1.393 119.099 120.500 -0.014 0.000 2.115 100 R HA -0.111 4.229 4.340 -0.001 0.000 0.226 100 R C 1.486 177.503 176.300 -0.473 0.000 1.100 100 R CA 1.378 57.298 56.100 -0.299 0.000 0.980 100 R CB -0.681 29.415 30.300 -0.339 0.000 0.875 100 R HN 0.236 nan 8.270 nan 0.000 0.445 101 Y N 0.713 121.047 120.300 0.057 0.000 2.373 101 Y HA -0.126 4.423 4.550 -0.001 0.000 0.293 101 Y C 2.651 178.644 175.900 0.155 0.000 1.129 101 Y CA 1.352 59.565 58.100 0.189 0.000 1.226 101 Y CB -0.442 38.168 38.460 0.250 0.000 1.000 101 Y HN 0.249 nan 8.280 nan 0.000 0.549 102 H N -0.372 118.836 119.070 0.230 0.000 2.319 102 H HA -0.145 4.410 4.556 -0.001 0.000 0.299 102 H C 2.334 177.785 175.328 0.205 0.000 1.092 102 H CA 1.701 57.919 56.048 0.283 0.000 1.302 102 H CB -0.486 29.427 29.762 0.252 0.000 1.373 102 H HN 0.436 nan 8.280 nan 0.000 0.497 103 G N -0.595 108.315 108.800 0.184 0.000 2.418 103 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.217 103 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.217 103 G C 1.340 176.233 174.900 -0.012 0.000 1.158 103 G CA 0.778 45.903 45.100 0.042 0.000 0.771 103 G HN 0.381 nan 8.290 nan 0.000 0.545 104 Y N 0.607 120.895 120.300 -0.020 0.000 2.163 104 Y HA 0.046 4.595 4.550 -0.000 0.000 0.288 104 Y C 2.745 178.560 175.900 -0.143 0.000 1.136 104 Y CA 0.161 58.197 58.100 -0.107 0.000 1.147 104 Y CB -0.685 37.668 38.460 -0.178 0.000 0.987 104 Y HN 0.127 nan 8.280 nan 0.000 0.509 105 I N -1.502 119.027 120.570 -0.069 0.000 2.208 105 I HA -0.334 3.836 4.170 -0.001 0.000 0.245 105 I C 1.660 177.372 176.117 -0.674 0.000 1.097 105 I CA 1.678 62.686 61.300 -0.487 0.000 1.363 105 I CB -0.327 37.141 38.000 -0.887 0.000 1.051 105 I HN 0.061 nan 8.210 nan 0.000 0.413 106 F N 0.038 119.860 119.950 -0.213 0.000 2.419 106 F HA 0.324 4.851 4.527 -0.000 0.000 0.283 106 F C 1.977 177.799 175.800 0.038 0.000 1.044 106 F CA 0.206 58.029 58.000 -0.294 0.000 1.376 106 F CB -1.387 37.334 39.000 -0.465 0.000 1.131 106 F HN -0.019 nan 8.300 nan 0.000 0.585 123 Q N 2.480 122.281 119.800 0.001 0.000 2.303 123 Q HA 0.553 4.892 4.340 -0.001 0.000 0.257 123 Q C -0.978 175.059 176.000 0.061 0.000 0.941 123 Q CA -0.223 55.605 55.803 0.042 0.000 0.931 123 Q CB 1.129 29.901 28.738 0.057 0.000 1.215 123 Q HN 0.146 nan 8.270 nan 0.000 0.437 124 V N 5.559 125.529 119.914 0.092 0.000 2.389 124 V HA 0.026 4.146 4.120 -0.001 0.000 0.264 124 V C 0.781 177.023 176.094 0.247 0.000 1.049 124 V CA 0.087 62.485 62.300 0.162 0.000 0.932 124 V CB 1.085 33.031 31.823 0.204 0.000 1.011 124 V HN 0.901 nan 8.190 nan 0.000 0.475 125 Q N 2.872 122.773 119.800 0.169 0.000 2.339 125 Q HA 0.200 4.539 4.340 -0.001 0.000 0.205 125 Q C 0.306 176.285 176.000 -0.037 0.000 0.925 125 Q CA 0.593 56.453 55.803 0.095 0.000 0.898 125 Q CB 0.926 29.689 28.738 0.042 0.000 1.013 125 Q HN 0.722 nan 8.270 nan 0.000 0.504 126 Q N 0.286 120.069 119.800 -0.030 0.000 2.391 126 Q HA 0.377 4.717 4.340 -0.001 0.000 0.279 126 Q C -1.924 173.953 176.000 -0.204 0.000 1.028 126 Q CA -0.576 55.068 55.803 -0.265 0.000 0.836 126 Q CB 2.326 30.997 28.738 -0.111 0.000 1.414 126 Q HN 0.007 nan 8.270 nan 0.000 0.397 127 L N 3.390 124.355 121.223 -0.431 0.000 2.294 127 L HA 0.477 4.816 4.340 -0.001 0.000 0.283 127 L C -1.676 174.961 176.870 -0.388 0.000 1.015 127 L CA -0.102 54.512 54.840 -0.377 0.000 0.831 127 L CB 0.815 42.524 42.059 -0.584 0.000 1.217 127 L HN 0.556 nan 8.230 nan 0.000 0.420 128 L N 5.598 126.669 121.223 -0.253 0.000 2.312 128 L HA 0.533 4.873 4.340 -0.001 0.000 0.281 128 L C -0.572 176.183 176.870 -0.191 0.000 1.070 128 L CA -0.755 53.961 54.840 -0.206 0.000 0.805 128 L CB 1.715 43.710 42.059 -0.107 0.000 1.174 128 L HN 0.331 nan 8.230 nan 0.000 0.434 129 V N 2.439 122.248 119.914 -0.176 0.000 2.378 129 V HA 0.268 4.388 4.120 -0.001 0.000 0.288 129 V C -0.031 176.075 176.094 0.020 0.000 1.016 129 V CA -0.347 61.900 62.300 -0.088 0.000 0.840 129 V CB 1.576 33.359 31.823 -0.067 0.000 0.994 129 V HN 0.748 nan 8.190 nan 0.000 0.431 130 S N 6.040 121.755 115.700 0.024 0.000 2.566 130 S HA 0.614 5.083 4.470 -0.001 0.000 0.324 130 S C -0.536 174.092 174.600 0.047 0.000 1.081 130 S CA -0.622 57.604 58.200 0.044 0.000 1.105 130 S CB 0.248 63.464 63.200 0.028 0.000 0.981 130 S HN 0.474 nan 8.310 nan 0.000 0.464 131 I N 5.271 125.871 120.570 0.051 0.000 2.325 131 I HA 0.237 4.407 4.170 -0.001 0.000 0.291 131 I C 1.449 177.579 176.117 0.021 0.000 1.019 131 I CA -0.119 61.198 61.300 0.028 0.000 1.302 131 I CB 0.472 38.474 38.000 0.003 0.000 1.401 131 I HN 0.565 nan 8.210 nan 0.000 0.485 132 T N 5.863 120.432 114.554 0.025 0.000 2.894 132 T HA 0.207 4.557 4.350 -0.001 0.000 0.258 132 T C 1.053 175.763 174.700 0.017 0.000 1.043 132 T CA 0.789 62.903 62.100 0.023 0.000 1.141 132 T CB 0.162 69.049 68.868 0.031 0.000 0.873 132 T HN 0.323 nan 8.240 nan 0.000 0.449 133 L N 0.455 121.689 121.223 0.018 0.000 2.299 133 L HA 0.418 4.757 4.340 -0.001 0.000 0.268 133 L C 0.189 177.062 176.870 0.005 0.000 1.012 133 L CA -1.295 53.556 54.840 0.018 0.000 0.816 133 L CB 0.568 42.646 42.059 0.032 0.000 1.355 133 L HN -0.050 nan 8.230 nan 0.000 0.457 134 Q N 0.570 120.374 119.800 0.007 0.000 2.436 134 Q HA -0.094 4.245 4.340 -0.001 0.000 0.326 134 Q C 1.163 177.151 176.000 -0.020 0.000 1.079 134 Q CA 0.466 56.267 55.803 -0.003 0.000 1.049 134 Q CB 0.457 29.202 28.738 0.012 0.000 1.047 134 Q HN 0.757 nan 8.270 nan 0.000 0.386 135 S N 2.689 118.355 115.700 -0.056 0.000 2.399 135 S HA -0.190 4.279 4.470 -0.001 0.000 0.231 135 S C 0.351 174.836 174.600 -0.191 0.000 1.022 135 S CA 1.014 59.145 58.200 -0.116 0.000 0.983 135 S CB 0.032 63.155 63.200 -0.130 0.000 0.803 135 S HN 0.838 nan 8.310 nan 0.000 0.480 136 E N -1.149 118.983 120.200 -0.113 0.000 2.868 136 E HA -0.205 4.144 4.350 -0.001 0.000 0.278 136 E C 0.846 177.312 176.600 -0.223 0.000 1.009 136 E CA 0.436 56.792 56.400 -0.073 0.000 0.856 136 E CB -2.617 27.152 29.700 0.116 0.000 1.428 136 E HN 0.653 nan 8.360 nan 0.000 0.423 137 c N 0.414 118.874 118.600 -0.234 0.000 2.401 137 c HA -0.177 4.392 4.570 -0.001 0.000 0.276 137 c C 1.859 175.833 174.090 -0.193 0.000 1.233 137 c CA 1.351 57.525 56.329 -0.258 0.000 1.753 137 c CB -0.400 41.999 42.510 -0.186 0.000 2.029 137 c HN 0.489 nan 8.230 nan 0.000 0.478 138 D N 0.121 120.447 120.400 -0.123 0.000 2.340 138 D HA 0.271 4.910 4.640 -0.001 0.000 0.217 138 D C 0.592 176.823 176.300 -0.114 0.000 1.081 138 D CA 0.348 54.279 54.000 -0.114 0.000 0.842 138 D CB 0.033 40.789 40.800 -0.073 0.000 0.934 138 D HN 0.495 nan 8.370 nan 0.000 0.511 139 A N 0.004 122.812 122.820 -0.021 0.000 2.256 139 A HA 0.597 4.917 4.320 -0.001 0.000 0.318 139 A C -0.491 177.133 177.584 0.067 0.000 1.103 139 A CA -0.469 51.617 52.037 0.081 0.000 0.860 139 A CB 0.647 19.786 19.000 0.231 0.000 1.182 139 A HN -0.062 nan 8.150 nan 0.000 0.501 140 F N 0.795 120.888 119.950 0.238 0.000 2.385 140 F HA 0.450 4.976 4.527 -0.001 0.000 0.336 140 F C -1.623 174.165 175.800 -0.019 0.000 1.100 140 F CA -1.878 56.217 58.000 0.158 0.000 1.116 140 F CB 1.011 40.067 39.000 0.093 0.000 1.166 140 F HN 0.312 nan 8.300 nan 0.000 0.511 141 P HA 0.175 nan 4.420 nan 0.000 0.272 141 P C -1.274 175.879 177.300 -0.245 0.000 1.223 141 P CA -0.282 62.376 63.100 -0.737 0.000 0.784 141 P CB 0.869 31.990 31.700 -0.965 0.000 0.923 142 N N 0.292 118.855 118.700 -0.229 0.000 2.831 142 N HA 0.200 4.940 4.740 -0.001 0.000 0.276 142 N C 0.462 175.949 175.510 -0.038 0.000 1.416 142 N CA -0.805 52.218 53.050 -0.044 0.000 0.799 142 N CB -0.209 38.301 38.487 0.037 0.000 1.554 142 N HN 0.129 nan 8.380 nan 0.000 0.541 143 I N 0.089 120.696 120.570 0.062 0.000 2.264 143 I HA -0.148 4.021 4.170 -0.001 0.000 0.248 143 I C 1.298 177.441 176.117 0.043 0.000 1.111 143 I CA 1.871 63.208 61.300 0.061 0.000 1.382 143 I CB -0.530 37.539 38.000 0.115 0.000 1.060 143 I HN 0.696 nan 8.210 nan 0.000 0.418 144 S N -1.217 114.513 115.700 0.050 0.000 2.634 144 S HA 0.238 4.707 4.470 -0.001 0.000 0.221 144 S C 0.912 175.535 174.600 0.038 0.000 0.952 144 S CA -0.415 57.814 58.200 0.049 0.000 0.930 144 S CB -0.800 62.439 63.200 0.065 0.000 0.780 144 S HN 0.274 nan 8.310 nan 0.000 0.498 145 S N 3.293 118.982 115.700 -0.018 0.000 2.552 145 S HA 0.079 4.548 4.470 -0.001 0.000 0.289 145 S C -0.068 174.585 174.600 0.088 0.000 1.304 145 S CA -0.078 58.105 58.200 -0.028 0.000 1.063 145 S CB 0.274 63.226 63.200 -0.414 0.000 0.848 145 S HN 0.490 nan 8.310 nan 0.000 0.499 146 D N 2.208 122.736 120.400 0.214 0.000 2.336 146 D HA 0.102 4.742 4.640 -0.001 0.000 0.249 146 D C 0.358 176.834 176.300 0.292 0.000 1.213 146 D CA -0.090 54.033 54.000 0.204 0.000 0.870 146 D CB 0.510 41.420 40.800 0.183 0.000 1.076 146 D HN 0.562 nan 8.370 nan 0.000 0.483 147 E N 1.248 121.594 120.200 0.243 0.000 2.501 147 E HA 0.062 4.411 4.350 -0.001 0.000 0.200 147 E C 0.350 177.172 176.600 0.370 0.000 1.016 147 E CA -0.263 56.344 56.400 0.345 0.000 0.921 147 E CB 0.399 30.313 29.700 0.356 0.000 1.034 147 E HN 0.437 nan 8.360 nan 0.000 0.468 148 S N 0.812 116.652 115.700 0.233 0.000 2.585 148 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 148 S C -0.296 174.470 174.600 0.277 0.000 1.339 148 S CA -0.575 57.727 58.200 0.171 0.000 1.028 148 S CB 0.313 63.542 63.200 0.047 0.000 0.906 148 S HN 0.291 nan 8.310 nan 0.000 0.528 149 Y N -2.111 118.260 120.300 0.119 0.000 2.677 149 Y HA 0.696 5.246 4.550 -0.000 0.000 0.334 149 Y C -0.843 175.104 175.900 0.077 0.000 1.196 149 Y CA -0.878 57.277 58.100 0.092 0.000 1.059 149 Y CB 0.728 39.246 38.460 0.098 0.000 1.315 149 Y HN 0.894 nan 8.280 nan 0.000 0.455 150 T N 0.672 115.340 114.554 0.190 0.000 2.908 150 T HA 0.733 5.082 4.350 -0.001 0.000 0.290 150 T C -1.847 173.011 174.700 0.263 0.000 1.034 150 T CA -0.688 61.485 62.100 0.122 0.000 1.010 150 T CB 1.996 70.898 68.868 0.056 0.000 1.068 150 T HN 0.908 nan 8.240 nan 0.000 0.481 151 L N 2.318 123.677 121.223 0.226 0.000 2.404 151 L HA 0.615 4.954 4.340 -0.001 0.000 0.272 151 L C -1.466 175.485 176.870 0.136 0.000 0.980 151 L CA -0.924 54.038 54.840 0.204 0.000 0.836 151 L CB 1.452 43.682 42.059 0.285 0.000 1.238 151 L HN 0.770 nan 8.230 nan 0.000 0.408 152 L N 6.166 127.450 121.223 0.102 0.000 2.295 152 L HA 0.513 4.853 4.340 -0.001 0.000 0.281 152 L C -0.716 176.212 176.870 0.097 0.000 1.018 152 L CA -0.748 54.142 54.840 0.082 0.000 0.841 152 L CB 1.662 43.754 42.059 0.055 0.000 1.218 152 L HN 0.279 nan 8.230 nan 0.000 0.424 153 V N 4.709 124.692 119.914 0.115 0.000 2.348 153 V HA 0.409 4.528 4.120 -0.001 0.000 0.270 153 V C 0.024 176.172 176.094 0.090 0.000 1.037 153 V CA -0.357 62.028 62.300 0.141 0.000 0.872 153 V CB 0.792 32.706 31.823 0.151 0.000 1.002 153 V HN 0.796 nan 8.190 nan 0.000 0.464 154 K N 3.236 123.687 120.400 0.084 0.000 2.548 154 K HA 0.658 4.977 4.320 -0.001 0.000 0.282 154 K C -1.024 175.610 176.600 0.056 0.000 1.006 154 K CA -1.025 55.295 56.287 0.055 0.000 0.892 154 K CB 2.329 34.853 32.500 0.041 0.000 1.499 154 K HN 0.474 nan 8.250 nan 0.000 0.433 155 E N 1.502 121.724 120.200 0.037 0.000 2.231 155 E HA 0.256 4.605 4.350 -0.001 0.000 0.277 155 E C -1.649 174.969 176.600 0.030 0.000 0.999 155 E CA -2.084 54.337 56.400 0.035 0.000 0.827 155 E CB 1.141 30.851 29.700 0.016 0.000 1.101 155 E HN 0.523 nan 8.360 nan 0.000 0.393 156 P HA 0.122 nan 4.420 nan 0.000 0.251 156 P C -0.222 177.109 177.300 0.053 0.000 1.223 156 P CA 0.027 63.153 63.100 0.043 0.000 0.796 156 P CB 0.422 32.144 31.700 0.035 0.000 1.068 157 V N 0.757 120.695 119.914 0.040 0.000 2.443 157 V HA 0.594 4.714 4.120 -0.001 0.000 0.293 157 V C 0.240 176.352 176.094 0.030 0.000 1.021 157 V CA -1.185 61.131 62.300 0.026 0.000 0.848 157 V CB 1.338 33.163 31.823 0.003 0.000 0.998 157 V HN 0.127 nan 8.190 nan 0.000 0.424 158 A N 4.767 127.611 122.820 0.041 0.000 2.304 158 A HA 0.839 5.159 4.320 -0.001 0.000 0.271 158 A C -0.461 177.102 177.584 -0.036 0.000 1.091 158 A CA -0.385 51.674 52.037 0.038 0.000 0.812 158 A CB 1.060 20.123 19.000 0.105 0.000 1.056 158 A HN 0.763 nan 8.150 nan 0.000 0.489 159 V N 1.813 121.715 119.914 -0.020 0.000 2.577 159 V HA 0.398 4.517 4.120 -0.001 0.000 0.303 159 V C -0.980 175.100 176.094 -0.023 0.000 1.042 159 V CA -0.436 61.842 62.300 -0.037 0.000 0.872 159 V CB 1.356 33.176 31.823 -0.005 0.000 0.998 159 V HN 0.814 nan 8.190 nan 0.000 0.423 160 L N 5.123 126.310 121.223 -0.061 0.000 2.287 160 L HA 0.676 5.016 4.340 -0.001 0.000 0.287 160 L C -0.391 176.489 176.870 0.017 0.000 1.022 160 L CA -0.032 54.795 54.840 -0.021 0.000 0.814 160 L CB 1.130 43.124 42.059 -0.108 0.000 1.217 160 L HN 0.723 nan 8.230 nan 0.000 0.420 161 K N 4.497 124.942 120.400 0.076 0.000 2.345 161 K HA 0.926 5.245 4.320 -0.001 0.000 0.255 161 K C -1.671 175.003 176.600 0.123 0.000 0.934 161 K CA -0.459 55.874 56.287 0.077 0.000 0.801 161 K CB 1.692 34.230 32.500 0.064 0.000 1.137 161 K HN 0.816 nan 8.250 nan 0.000 0.424 162 A N 3.052 125.933 122.820 0.101 0.000 2.574 162 A HA 0.308 4.628 4.320 -0.001 0.000 0.297 162 A C -0.362 177.273 177.584 0.084 0.000 1.062 162 A CA -0.834 51.279 52.037 0.125 0.000 0.686 162 A CB 1.437 20.521 19.000 0.140 0.000 1.285 162 A HN 0.833 nan 8.150 nan 0.000 0.403 163 N N 0.384 119.139 118.700 0.093 0.000 2.120 163 N HA -0.060 4.679 4.740 -0.001 0.000 0.188 163 N C 0.419 175.961 175.510 0.054 0.000 1.024 163 N CA 1.328 54.422 53.050 0.073 0.000 0.852 163 N CB -0.106 38.433 38.487 0.087 0.000 1.003 163 N HN 0.618 nan 8.380 nan 0.000 0.424 164 R N -1.242 119.292 120.500 0.057 0.000 2.869 164 R HA 0.303 4.642 4.340 -0.001 0.000 0.263 164 R C 1.238 177.458 176.300 -0.133 0.000 1.066 164 R CA -0.756 55.319 56.100 -0.042 0.000 0.960 164 R CB 0.090 30.398 30.300 0.014 0.000 1.221 164 R HN -0.262 nan 8.270 nan 0.000 0.474 165 V N 0.520 120.208 119.914 -0.376 0.000 2.317 165 V HA -0.272 3.848 4.120 -0.001 0.000 0.251 165 V C 1.727 177.631 176.094 -0.316 0.000 1.065 165 V CA 2.228 64.249 62.300 -0.465 0.000 1.049 165 V CB -0.415 30.934 31.823 -0.791 0.000 0.651 165 V HN 0.659 nan 8.190 nan 0.000 0.450 166 W N -0.041 121.300 121.300 0.070 0.000 2.338 166 W HA -0.064 4.595 4.660 -0.001 0.000 0.304 166 W C 2.488 179.079 176.519 0.120 0.000 1.212 166 W CA 0.761 58.162 57.345 0.093 0.000 1.264 166 W CB -1.033 28.491 29.460 0.107 0.000 1.142 166 W HN 0.279 nan 8.180 nan 0.000 0.512 167 G N 0.349 109.330 108.800 0.302 0.000 2.403 167 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.216 167 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.216 167 G C 1.667 176.636 174.900 0.116 0.000 1.154 167 G CA 1.068 46.346 45.100 0.297 0.000 0.784 167 G HN 0.305 nan 8.290 nan 0.000 0.538 168 A N 0.644 123.489 122.820 0.042 0.000 1.933 168 A HA 0.099 4.418 4.320 -0.001 0.000 0.218 168 A C 2.405 179.930 177.584 -0.099 0.000 1.175 168 A CA 1.130 53.141 52.037 -0.042 0.000 0.628 168 A CB -0.360 18.632 19.000 -0.013 0.000 0.814 168 A HN 0.355 nan 8.150 nan 0.000 0.444 169 L N -1.043 120.166 121.223 -0.023 0.000 2.017 169 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 169 L C 2.862 179.675 176.870 -0.096 0.000 1.073 169 L CA 1.070 55.906 54.840 -0.006 0.000 0.745 169 L CB -0.498 41.633 42.059 0.119 0.000 0.894 169 L HN 0.263 nan 8.230 nan 0.000 0.432 170 R N 0.291 120.747 120.500 -0.073 0.000 2.091 170 R HA -0.105 4.234 4.340 -0.001 0.000 0.238 170 R C 2.263 178.234 176.300 -0.549 0.000 1.136 170 R CA 1.491 57.480 56.100 -0.185 0.000 0.959 170 R CB -1.503 28.838 30.300 0.067 0.000 0.856 170 R HN 0.424 nan 8.270 nan 0.000 0.437 171 G N 0.868 109.107 108.800 -0.934 0.000 2.422 171 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.218 171 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.218 171 G C 1.643 176.246 174.900 -0.495 0.000 1.140 171 G CA 0.259 44.679 45.100 -1.134 0.000 0.775 171 G HN 0.196 nan 8.290 nan 0.000 0.545 172 L N 0.019 120.977 121.223 -0.442 0.000 2.046 172 L HA -0.050 4.289 4.340 -0.001 0.000 0.208 172 L C 2.777 179.250 176.870 -0.662 0.000 1.077 172 L CA 1.390 55.915 54.840 -0.525 0.000 0.747 172 L CB -0.250 41.405 42.059 -0.675 0.000 0.896 172 L HN 0.214 nan 8.230 nan 0.000 0.432 173 E N 0.046 119.902 120.200 -0.573 0.000 2.051 173 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 173 E C 2.029 178.560 176.600 -0.116 0.000 0.991 173 E CA 2.102 58.364 56.400 -0.229 0.000 0.799 173 E CB -0.242 29.444 29.700 -0.025 0.000 0.748 173 E HN 0.301 nan 8.360 nan 0.000 0.449 174 T N 0.332 114.799 114.554 -0.145 0.000 2.746 174 T HA -0.121 4.228 4.350 -0.001 0.000 0.267 174 T C 1.505 176.201 174.700 -0.006 0.000 1.039 174 T CA 1.208 63.276 62.100 -0.053 0.000 1.142 174 T CB -0.607 68.272 68.868 0.018 0.000 0.866 174 T HN 0.251 nan 8.240 nan 0.000 0.444 175 F N 2.874 122.741 119.950 -0.138 0.000 2.091 175 F HA -0.224 4.303 4.527 -0.001 0.000 0.299 175 F C 2.635 178.376 175.800 -0.098 0.000 1.103 175 F CA 1.756 59.694 58.000 -0.103 0.000 1.228 175 F CB -0.593 38.334 39.000 -0.121 0.000 0.984 175 F HN 0.227 nan 8.300 nan 0.000 0.477 176 S N -0.508 115.171 115.700 -0.035 0.000 2.419 176 S HA -0.239 4.231 4.470 -0.001 0.000 0.233 176 S C 1.736 176.249 174.600 -0.145 0.000 1.016 176 S CA 1.276 59.424 58.200 -0.086 0.000 0.974 176 S CB -0.765 62.529 63.200 0.157 0.000 0.786 176 S HN 0.684 nan 8.310 nan 0.000 0.492 177 Q N 0.366 120.104 119.800 -0.105 0.000 2.378 177 Q HA 0.251 4.591 4.340 -0.001 0.000 0.205 177 Q C 1.921 177.867 176.000 -0.090 0.000 0.954 177 Q CA 0.668 56.425 55.803 -0.078 0.000 0.901 177 Q CB -0.266 28.451 28.738 -0.036 0.000 0.981 177 Q HN 0.567 nan 8.270 nan 0.000 0.483 178 L N -0.099 121.028 121.223 -0.160 0.000 2.307 178 L HA 0.050 4.390 4.340 -0.001 0.000 0.211 178 L C 0.632 177.429 176.870 -0.122 0.000 1.099 178 L CA 0.002 54.761 54.840 -0.136 0.000 0.816 178 L CB 0.323 42.266 42.059 -0.192 0.000 0.952 178 L HN -0.048 nan 8.230 nan 0.000 0.455 179 V N 0.569 120.295 119.914 -0.314 0.000 2.614 179 V HA 0.076 4.195 4.120 -0.001 0.000 0.291 179 V C -0.389 175.667 176.094 -0.064 0.000 1.049 179 V CA -0.222 61.889 62.300 -0.315 0.000 1.038 179 V CB 0.160 31.663 31.823 -0.534 0.000 0.980 179 V HN 0.230 nan 8.190 nan 0.000 0.481 180 Y N 1.782 122.016 120.300 -0.110 0.000 2.655 180 Y HA 0.709 5.259 4.550 -0.000 0.000 0.336 180 Y C -0.751 175.114 175.900 -0.058 0.000 1.154 180 Y CA -1.480 56.575 58.100 -0.074 0.000 1.055 180 Y CB 1.485 39.894 38.460 -0.086 0.000 1.295 180 Y HN 0.470 nan 8.280 nan 0.000 0.465 181 Q N 2.465 122.264 119.800 -0.002 0.000 2.271 181 Q HA 0.253 4.593 4.340 -0.001 0.000 0.258 181 Q C -0.879 175.121 176.000 -0.001 0.000 0.936 181 Q CA -1.045 54.647 55.803 -0.186 0.000 0.909 181 Q CB 1.731 30.274 28.738 -0.325 0.000 1.253 181 Q HN 0.784 nan 8.270 nan 0.000 0.440 182 D N 0.360 120.735 120.400 -0.041 0.000 2.356 182 D HA 0.007 4.647 4.640 -0.001 0.000 0.258 182 D C 0.442 176.726 176.300 -0.026 0.000 1.279 182 D CA -0.312 53.725 54.000 0.062 0.000 1.016 182 D CB 0.436 41.293 40.800 0.094 0.000 1.107 182 D HN 0.273 nan 8.370 nan 0.000 0.544 183 S N -1.620 114.047 115.700 -0.055 0.000 2.442 183 S HA -0.142 4.327 4.470 -0.001 0.000 0.236 183 S C 1.027 175.398 174.600 -0.383 0.000 1.007 183 S CA 0.738 58.793 58.200 -0.241 0.000 0.965 183 S CB -0.563 62.420 63.200 -0.360 0.000 0.773 183 S HN 0.462 nan 8.310 nan 0.000 0.504 184 Y N 0.318 120.572 120.300 -0.077 0.000 2.493 184 Y HA 0.366 4.916 4.550 -0.001 0.000 0.275 184 Y C 1.687 177.504 175.900 -0.138 0.000 1.183 184 Y CA -0.049 57.996 58.100 -0.092 0.000 1.258 184 Y CB -0.020 38.389 38.460 -0.085 0.000 1.108 184 Y HN 0.260 nan 8.280 nan 0.000 0.521 185 G N -0.009 108.737 108.800 -0.090 0.000 2.179 185 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.260 185 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.260 185 G C 0.199 174.875 174.900 -0.374 0.000 0.977 185 G CA 0.287 45.252 45.100 -0.225 0.000 0.641 185 G HN 0.270 nan 8.290 nan 0.000 0.533 186 T N 1.838 116.231 114.554 -0.268 0.000 2.799 186 T HA 0.447 4.797 4.350 -0.001 0.000 0.296 186 T C 0.350 174.830 174.700 -0.366 0.000 0.947 186 T CA -0.028 61.881 62.100 -0.319 0.000 1.141 186 T CB 0.399 69.067 68.868 -0.333 0.000 0.891 186 T HN 0.198 nan 8.240 nan 0.000 0.533 187 F N 3.027 122.895 119.950 -0.136 0.000 2.541 187 F HA 0.278 4.804 4.527 -0.001 0.000 0.378 187 F C 1.399 177.084 175.800 -0.190 0.000 1.068 187 F CA -0.004 57.903 58.000 -0.156 0.000 1.199 187 F CB 0.161 39.146 39.000 -0.026 0.000 1.091 187 F HN 0.434 nan 8.300 nan 0.000 0.555 188 T N 5.231 119.638 114.554 -0.245 0.000 2.909 188 T HA 0.700 5.049 4.350 -0.001 0.000 0.299 188 T C -1.142 173.208 174.700 -0.583 0.000 1.073 188 T CA -0.658 61.233 62.100 -0.350 0.000 0.999 188 T CB 2.141 70.684 68.868 -0.541 0.000 1.098 188 T HN 0.517 nan 8.240 nan 0.000 0.477 189 I N 1.717 122.110 120.570 -0.295 0.000 2.752 189 I HA 0.450 4.619 4.170 -0.001 0.000 0.295 189 I C -1.463 174.635 176.117 -0.032 0.000 1.219 189 I CA -0.866 60.338 61.300 -0.159 0.000 1.030 189 I CB 2.197 40.069 38.000 -0.214 0.000 1.259 189 I HN 0.501 nan 8.210 nan 0.000 0.423 190 N N 4.609 123.344 118.700 0.059 0.000 2.529 190 N HA 0.195 4.935 4.740 -0.001 0.000 0.278 190 N C -0.970 174.555 175.510 0.026 0.000 1.146 190 N CA -0.208 52.871 53.050 0.049 0.000 0.980 190 N CB 0.697 39.226 38.487 0.071 0.000 1.124 190 N HN 0.485 nan 8.380 nan 0.000 0.458 191 E N 0.522 120.733 120.200 0.018 0.000 2.415 191 E HA 0.191 4.540 4.350 -0.001 0.000 0.263 191 E C -0.398 176.222 176.600 0.034 0.000 0.995 191 E CA 0.263 56.678 56.400 0.026 0.000 0.915 191 E CB 0.316 30.026 29.700 0.017 0.000 0.951 191 E HN 0.668 nan 8.360 nan 0.000 0.449 192 S N 1.734 117.461 115.700 0.046 0.000 2.615 192 S HA 0.446 4.916 4.470 -0.001 0.000 0.268 192 S C -0.903 173.731 174.600 0.058 0.000 1.146 192 S CA -1.047 57.182 58.200 0.047 0.000 0.818 192 S CB 2.054 65.283 63.200 0.048 0.000 1.111 192 S HN 0.251 nan 8.310 nan 0.000 0.465 193 T N 1.414 115.998 114.554 0.050 0.000 2.881 193 T HA 0.663 5.012 4.350 -0.001 0.000 0.290 193 T C -0.992 173.738 174.700 0.050 0.000 1.000 193 T CA -0.364 61.767 62.100 0.052 0.000 0.978 193 T CB 0.715 69.603 68.868 0.034 0.000 0.997 193 T HN 0.619 nan 8.240 nan 0.000 0.443 194 I N 3.476 124.086 120.570 0.067 0.000 2.498 194 I HA 0.544 4.714 4.170 -0.001 0.000 0.290 194 I C -0.872 175.240 176.117 -0.009 0.000 1.032 194 I CA -0.887 60.443 61.300 0.050 0.000 1.073 194 I CB 1.996 40.063 38.000 0.111 0.000 1.251 194 I HN 0.480 nan 8.210 nan 0.000 0.426 195 I N 5.024 125.553 120.570 -0.069 0.000 2.465 195 I HA 0.481 4.650 4.170 -0.001 0.000 0.291 195 I C -1.112 174.878 176.117 -0.211 0.000 1.014 195 I CA -0.321 60.895 61.300 -0.141 0.000 1.093 195 I CB 1.869 39.821 38.000 -0.081 0.000 1.267 195 I HN 0.447 nan 8.210 nan 0.000 0.431 196 D N 3.535 123.696 120.400 -0.398 0.000 2.736 196 D HA 0.693 5.333 4.640 -0.001 0.000 0.223 196 D C -1.441 174.715 176.300 -0.239 0.000 1.231 196 D CA -0.103 53.712 54.000 -0.310 0.000 0.818 196 D CB 2.251 42.797 40.800 -0.423 0.000 1.587 196 D HN 0.577 nan 8.370 nan 0.000 0.463 197 S N 1.301 116.917 115.700 -0.141 0.000 2.565 197 S HA 0.752 5.221 4.470 -0.001 0.000 0.274 197 S C -3.092 171.060 174.600 -0.746 0.000 1.144 197 S CA -1.176 56.862 58.200 -0.270 0.000 0.849 197 S CB 1.963 65.043 63.200 -0.199 0.000 1.103 197 S HN 0.208 nan 8.310 nan 0.000 0.455 198 P HA 0.455 nan 4.420 nan 0.000 0.281 198 P C 0.366 177.210 177.300 -0.760 0.000 1.249 198 P CA -0.708 61.492 63.100 -1.500 0.000 0.810 198 P CB 0.984 31.977 31.700 -1.177 0.000 1.008 199 R N 0.961 121.056 120.500 -0.675 0.000 2.073 199 R HA 0.041 4.380 4.340 -0.001 0.000 0.229 199 R C -0.117 175.721 176.300 -0.770 0.000 1.120 199 R CA 1.244 56.953 56.100 -0.652 0.000 0.967 199 R CB -0.066 29.848 30.300 -0.644 0.000 0.862 199 R HN 0.384 nan 8.270 nan 0.000 0.436 200 F N -1.208 118.686 119.950 -0.092 0.000 2.563 200 F HA 0.247 4.773 4.527 -0.002 0.000 0.316 200 F C 1.001 176.794 175.800 -0.012 0.000 1.076 200 F CA -0.947 57.066 58.000 0.023 0.000 0.921 200 F CB 2.286 41.376 39.000 0.150 0.000 1.209 200 F HN -0.102 nan 8.300 nan 0.000 0.462 201 S N -1.103 114.728 115.700 0.220 0.000 2.503 201 S HA 0.055 4.525 4.470 -0.001 0.000 0.215 201 S C 0.195 174.874 174.600 0.131 0.000 1.003 201 S CA 0.197 58.468 58.200 0.118 0.000 0.910 201 S CB -0.541 62.706 63.200 0.077 0.000 0.790 201 S HN 0.690 nan 8.310 nan 0.000 0.514 202 H N 1.898 121.021 119.070 0.089 0.000 2.641 202 H HA 0.514 5.070 4.556 -0.001 0.000 0.295 202 H C -0.466 174.921 175.328 0.098 0.000 1.070 202 H CA -0.590 55.486 56.048 0.046 0.000 1.257 202 H CB 0.251 29.987 29.762 -0.043 0.000 1.393 202 H HN 0.103 nan 8.280 nan 0.000 0.464 203 R N 4.316 124.861 120.500 0.076 0.000 2.487 203 R HA 0.328 4.667 4.340 -0.001 0.000 0.288 203 R C -0.593 175.907 176.300 0.333 0.000 1.394 203 R CA -0.661 55.551 56.100 0.186 0.000 1.155 203 R CB 1.630 31.975 30.300 0.075 0.000 1.156 203 R HN 0.656 nan 8.270 nan 0.000 0.553 204 G N 2.378 111.402 108.800 0.373 0.000 2.454 204 G HA2 0.612 4.572 3.960 -0.001 0.000 0.329 204 G HA3 0.612 4.572 3.960 -0.001 0.000 0.329 204 G C -0.558 174.422 174.900 0.133 0.000 1.177 204 G CA -0.451 44.806 45.100 0.263 0.000 0.951 204 G HN 0.246 nan 8.290 nan 0.000 0.485 205 I N 1.014 121.537 120.570 -0.078 0.000 2.436 205 I HA 0.336 4.506 4.170 -0.001 0.000 0.289 205 I C -0.480 175.508 176.117 -0.215 0.000 1.010 205 I CA -0.683 60.441 61.300 -0.294 0.000 1.098 205 I CB 1.561 39.296 38.000 -0.442 0.000 1.266 205 I HN 0.351 nan 8.210 nan 0.000 0.434 206 L N 8.125 129.148 121.223 -0.333 0.000 2.275 206 L HA 0.597 4.936 4.340 -0.001 0.000 0.288 206 L C -0.551 176.011 176.870 -0.515 0.000 1.046 206 L CA -0.441 54.105 54.840 -0.489 0.000 0.805 206 L CB 0.949 42.511 42.059 -0.830 0.000 1.193 206 L HN 0.574 nan 8.230 nan 0.000 0.426 207 I N 1.336 121.671 120.570 -0.392 0.000 2.603 207 I HA 0.603 4.772 4.170 -0.001 0.000 0.300 207 I C -1.028 174.965 176.117 -0.207 0.000 1.017 207 I CA -0.471 60.639 61.300 -0.317 0.000 1.098 207 I CB 1.808 39.634 38.000 -0.290 0.000 1.279 207 I HN 0.444 nan 8.210 nan 0.000 0.437 208 D N 3.175 123.502 120.400 -0.122 0.000 2.462 208 D HA 0.298 4.937 4.640 -0.001 0.000 0.245 208 D C 0.235 176.626 176.300 0.152 0.000 1.122 208 D CA -0.394 53.641 54.000 0.057 0.000 0.864 208 D CB 1.575 42.395 40.800 0.034 0.000 1.098 208 D HN 0.789 nan 8.370 nan 0.000 0.541 209 T N -0.092 114.617 114.554 0.259 0.000 3.176 209 T HA 0.128 4.478 4.350 -0.001 0.000 0.263 209 T C 1.219 176.115 174.700 0.327 0.000 1.021 209 T CA -0.024 62.276 62.100 0.332 0.000 0.905 209 T CB 0.316 69.512 68.868 0.546 0.000 1.057 209 T HN 0.138 nan 8.240 nan 0.000 0.558 210 S N 0.828 116.667 115.700 0.231 0.000 2.452 210 S HA 0.134 4.604 4.470 -0.001 0.000 0.225 210 S C 2.059 176.747 174.600 0.146 0.000 1.057 210 S CA -0.071 58.216 58.200 0.144 0.000 0.949 210 S CB -0.063 63.195 63.200 0.096 0.000 0.836 210 S HN 0.296 nan 8.310 nan 0.000 0.518 211 R N 0.703 121.273 120.500 0.116 0.000 2.096 211 R HA 0.208 4.547 4.340 -0.001 0.000 0.235 211 R C 0.090 176.280 176.300 -0.183 0.000 1.127 211 R CA 1.227 57.300 56.100 -0.046 0.000 0.968 211 R CB -0.459 29.757 30.300 -0.141 0.000 0.861 211 R HN 0.582 nan 8.270 nan 0.000 0.440 212 H N -3.014 116.229 119.070 0.287 0.000 2.894 212 H HA 0.208 4.764 4.556 -0.001 0.000 0.367 212 H C -1.538 174.020 175.328 0.383 0.000 1.144 212 H CA -1.093 55.152 56.048 0.327 0.000 1.180 212 H CB 1.515 31.384 29.762 0.178 0.000 1.758 212 H HN -0.034 nan 8.280 nan 0.000 0.541 213 Y N 3.014 123.603 120.300 0.483 0.000 2.425 213 Y HA 0.253 4.802 4.550 -0.001 0.000 0.331 213 Y C -0.974 175.090 175.900 0.274 0.000 1.157 213 Y CA -0.242 58.075 58.100 0.361 0.000 1.372 213 Y CB 0.379 39.060 38.460 0.368 0.000 1.253 213 Y HN 0.426 nan 8.280 nan 0.000 0.536 214 L N 9.296 130.393 121.223 -0.210 0.000 2.305 214 L HA 0.432 4.771 4.340 -0.001 0.000 0.284 214 L C -2.250 174.380 176.870 -0.399 0.000 1.013 214 L CA -2.288 52.448 54.840 -0.174 0.000 0.819 214 L CB 1.442 43.455 42.059 -0.077 0.000 1.227 214 L HN 0.567 nan 8.230 nan 0.000 0.417 215 P HA 0.004 nan 4.420 nan 0.000 0.268 215 P C 1.075 178.351 177.300 -0.040 0.000 1.208 215 P CA -0.294 62.770 63.100 -0.062 0.000 0.777 215 P CB 0.874 32.592 31.700 0.029 0.000 0.875 216 V N 2.693 122.637 119.914 0.049 0.000 2.317 216 V HA -0.305 3.815 4.120 -0.001 0.000 0.251 216 V C 2.256 178.287 176.094 -0.104 0.000 1.065 216 V CA 1.872 64.172 62.300 -0.001 0.000 1.049 216 V CB -0.884 30.976 31.823 0.062 0.000 0.651 216 V HN 0.651 nan 8.190 nan 0.000 0.450 217 K N -0.696 119.658 120.400 -0.077 0.000 2.074 217 K HA -0.191 4.129 4.320 -0.001 0.000 0.209 217 K C 2.075 178.605 176.600 -0.116 0.000 1.048 217 K CA 1.912 58.137 56.287 -0.105 0.000 0.926 217 K CB -0.410 32.056 32.500 -0.057 0.000 0.713 217 K HN 0.438 nan 8.250 nan 0.000 0.444 218 I N 0.919 121.433 120.570 -0.092 0.000 2.676 218 I HA -0.181 3.988 4.170 -0.001 0.000 0.259 218 I C 1.909 177.948 176.117 -0.130 0.000 1.194 218 I CA 0.575 61.824 61.300 -0.086 0.000 1.473 218 I CB 0.140 38.106 38.000 -0.056 0.000 1.096 218 I HN 0.087 nan 8.210 nan 0.000 0.443 219 I N -0.004 120.448 120.570 -0.196 0.000 2.353 219 I HA -0.275 3.895 4.170 -0.001 0.000 0.248 219 I C 2.182 178.154 176.117 -0.242 0.000 1.119 219 I CA 1.124 62.256 61.300 -0.281 0.000 1.417 219 I CB -0.272 37.457 38.000 -0.452 0.000 1.078 219 I HN 0.174 nan 8.210 nan 0.000 0.421 220 L N 0.502 121.555 121.223 -0.283 0.000 2.056 220 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 220 L C 2.540 179.308 176.870 -0.169 0.000 1.078 220 L CA 1.461 56.061 54.840 -0.400 0.000 0.749 220 L CB -0.692 40.906 42.059 -0.769 0.000 0.901 220 L HN 0.207 nan 8.230 nan 0.000 0.433 221 K N -0.293 120.032 120.400 -0.125 0.000 2.057 221 K HA -0.130 4.190 4.320 -0.001 0.000 0.207 221 K C 2.087 178.649 176.600 -0.063 0.000 1.049 221 K CA 1.792 58.043 56.287 -0.061 0.000 0.931 221 K CB -0.284 32.195 32.500 -0.036 0.000 0.714 221 K HN 0.275 nan 8.250 nan 0.000 0.440 222 T N 2.095 116.631 114.554 -0.029 0.000 2.788 222 T HA -0.107 4.242 4.350 -0.001 0.000 0.268 222 T C 1.869 176.568 174.700 -0.001 0.000 1.044 222 T CA 1.033 63.166 62.100 0.055 0.000 1.139 222 T CB -0.161 68.712 68.868 0.008 0.000 0.867 222 T HN 0.114 nan 8.240 nan 0.000 0.454 223 L N 0.800 122.006 121.223 -0.027 0.000 2.083 223 L HA -0.107 4.233 4.340 -0.001 0.000 0.209 223 L C 2.549 179.357 176.870 -0.104 0.000 1.083 223 L CA 1.107 55.951 54.840 0.006 0.000 0.752 223 L CB -0.532 41.610 42.059 0.137 0.000 0.899 223 L HN 0.181 nan 8.230 nan 0.000 0.433 224 D N 0.274 120.576 120.400 -0.164 0.000 2.097 224 D HA -0.178 4.462 4.640 -0.001 0.000 0.195 224 D C 2.229 177.813 176.300 -1.193 0.000 0.989 224 D CA 1.637 55.310 54.000 -0.546 0.000 0.827 224 D CB 0.018 40.612 40.800 -0.343 0.000 0.966 224 D HN 0.331 nan 8.370 nan 0.000 0.456 225 A N 0.702 123.017 122.820 -0.842 0.000 1.933 225 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 225 A C 2.288 179.398 177.584 -0.789 0.000 1.175 225 A CA 1.270 52.702 52.037 -1.007 0.000 0.628 225 A CB -0.533 17.707 19.000 -1.268 0.000 0.814 225 A HN 0.151 nan 8.150 nan 0.000 0.444 226 M N -0.568 118.831 119.600 -0.334 0.000 2.117 226 M HA -0.151 4.328 4.480 -0.001 0.000 0.262 226 M C 2.511 178.844 176.300 0.056 0.000 1.065 226 M CA 1.462 56.796 55.300 0.057 0.000 1.114 226 M CB -0.363 32.322 32.600 0.142 0.000 1.361 226 M HN 0.478 nan 8.290 nan 0.000 0.408 227 A N 0.189 122.931 122.820 -0.130 0.000 1.902 227 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 227 A C 1.732 179.366 177.584 0.083 0.000 1.181 227 A CA 1.441 53.460 52.037 -0.030 0.000 0.623 227 A CB -0.914 18.044 19.000 -0.070 0.000 0.818 227 A HN 0.439 nan 8.150 nan 0.000 0.443 228 F N 0.536 120.465 119.950 -0.036 0.000 2.333 228 F HA -0.062 4.464 4.527 -0.001 0.000 0.300 228 F C 1.854 177.703 175.800 0.080 0.000 1.083 228 F CA 0.541 58.519 58.000 -0.036 0.000 1.395 228 F CB -0.723 38.164 39.000 -0.188 0.000 1.056 228 F HN 0.290 nan 8.300 nan 0.000 0.529 229 N N 0.204 119.060 118.700 0.260 0.000 2.230 229 N HA -0.006 4.733 4.740 -0.001 0.000 0.202 229 N C 0.223 175.819 175.510 0.143 0.000 1.119 229 N CA 0.103 53.352 53.050 0.332 0.000 0.851 229 N CB 0.227 39.067 38.487 0.588 0.000 0.990 229 N HN 0.204 nan 8.380 nan 0.000 0.497 230 K N 0.176 120.621 120.400 0.074 0.000 3.088 230 K HA -0.180 4.139 4.320 -0.001 0.000 0.273 230 K C -0.664 175.995 176.600 0.099 0.000 1.111 230 K CA 0.475 56.754 56.287 -0.013 0.000 0.803 230 K CB -1.791 30.471 32.500 -0.397 0.000 1.226 230 K HN 0.110 nan 8.250 nan 0.000 0.485 231 F N 1.641 121.686 119.950 0.158 0.000 2.459 231 F HA 0.044 4.571 4.527 -0.001 0.000 0.346 231 F C 1.700 177.571 175.800 0.117 0.000 1.128 231 F CA 0.345 58.441 58.000 0.161 0.000 1.268 231 F CB 0.474 39.579 39.000 0.176 0.000 1.161 231 F HN 0.175 nan 8.300 nan 0.000 0.583 232 N N -0.143 118.708 118.700 0.252 0.000 2.143 232 N HA 0.135 4.875 4.740 -0.001 0.000 0.222 232 N C -1.220 174.314 175.510 0.040 0.000 1.264 232 N CA 0.167 53.294 53.050 0.128 0.000 0.897 232 N CB 0.311 38.853 38.487 0.092 0.000 1.092 232 N HN 0.160 nan 8.380 nan 0.000 0.516 233 V N 1.497 121.435 119.914 0.041 0.000 2.525 233 V HA 0.395 4.515 4.120 -0.001 0.000 0.299 233 V C -1.059 175.051 176.094 0.026 0.000 1.034 233 V CA -0.939 61.336 62.300 -0.042 0.000 0.863 233 V CB 2.109 33.756 31.823 -0.292 0.000 0.999 233 V HN 0.135 nan 8.190 nan 0.000 0.423 234 L N 4.776 126.021 121.223 0.036 0.000 2.259 234 L HA 0.456 4.796 4.340 -0.001 0.000 0.288 234 L C 0.071 177.002 176.870 0.101 0.000 1.051 234 L CA 0.144 54.999 54.840 0.025 0.000 0.824 234 L CB 0.356 42.408 42.059 -0.012 0.000 1.206 234 L HN 0.779 nan 8.230 nan 0.000 0.429 235 H N 5.339 124.390 119.070 -0.031 0.000 2.911 235 H HA 0.080 4.635 4.556 -0.001 0.000 0.273 235 H C -1.138 174.196 175.328 0.009 0.000 1.157 235 H CA -0.713 55.328 56.048 -0.011 0.000 1.402 235 H CB 0.385 30.124 29.762 -0.039 0.000 1.463 235 H HN 0.716 nan 8.280 nan 0.000 0.475 236 W N 7.194 128.528 121.300 0.056 0.000 2.360 236 W HA 0.098 4.757 4.660 -0.001 0.000 0.344 236 W C -0.691 175.750 176.519 -0.130 0.000 1.025 236 W CA -1.062 56.228 57.345 -0.091 0.000 1.480 236 W CB -0.813 28.567 29.460 -0.134 0.000 1.350 236 W HN 0.692 nan 8.180 nan 0.000 0.382 237 H N 5.670 124.787 119.070 0.079 0.000 3.224 237 H HA 0.086 4.641 4.556 -0.001 0.000 0.265 237 H C 1.318 176.610 175.328 -0.059 0.000 1.461 237 H CA 0.508 56.510 56.048 -0.076 0.000 1.509 237 H CB 0.122 29.778 29.762 -0.176 0.000 1.686 237 H HN 0.596 nan 8.280 nan 0.000 0.514 238 I N 4.003 124.249 120.570 -0.541 0.000 2.584 238 I HA -0.021 4.149 4.170 -0.001 0.000 0.255 238 I C -0.190 175.675 176.117 -0.420 0.000 1.145 238 I CA 0.476 61.413 61.300 -0.604 0.000 1.462 238 I CB 0.414 37.634 38.000 -1.300 0.000 1.102 238 I HN 0.403 nan 8.210 nan 0.000 0.433 239 V N -2.420 117.160 119.914 -0.556 0.000 3.040 239 V HA 0.649 4.769 4.120 -0.001 0.000 0.312 239 V C -0.905 175.107 176.094 -0.137 0.000 1.115 239 V CA -0.737 61.339 62.300 -0.373 0.000 0.998 239 V CB 1.909 33.317 31.823 -0.691 0.000 1.042 239 V HN 0.092 nan 8.190 nan 0.000 0.433 240 D N -0.315 120.139 120.400 0.089 0.000 3.145 240 D HA 0.184 4.824 4.640 -0.001 0.000 0.345 240 D C -0.144 176.304 176.300 0.247 0.000 1.391 240 D CA -0.176 53.960 54.000 0.227 0.000 0.930 240 D CB 2.111 43.064 40.800 0.255 0.000 1.451 240 D HN 0.596 nan 8.370 nan 0.000 0.555 241 D N -0.126 120.402 120.400 0.213 0.000 2.117 241 D HA -0.143 4.497 4.640 -0.001 0.000 0.197 241 D C 1.622 177.977 176.300 0.090 0.000 0.987 241 D CA 1.615 55.699 54.000 0.140 0.000 0.829 241 D CB 0.222 41.070 40.800 0.080 0.000 0.961 241 D HN 0.226 nan 8.370 nan 0.000 0.460 242 Q N -0.042 119.791 119.800 0.055 0.000 2.187 242 Q HA 0.039 4.379 4.340 -0.001 0.000 0.199 242 Q C 0.562 176.446 176.000 -0.194 0.000 0.957 242 Q CA 0.323 56.127 55.803 0.002 0.000 0.857 242 Q CB 0.389 29.170 28.738 0.071 0.000 0.929 242 Q HN 0.216 nan 8.270 nan 0.000 0.453 243 S N -1.841 113.726 115.700 -0.220 0.000 2.565 243 S HA 0.550 5.019 4.470 -0.001 0.000 0.269 243 S C -1.535 173.030 174.600 -0.059 0.000 1.153 243 S CA -0.968 57.026 58.200 -0.344 0.000 0.835 243 S CB 0.626 63.234 63.200 -0.985 0.000 1.122 243 S HN 0.080 nan 8.310 nan 0.000 0.462 244 F N 3.116 122.980 119.950 -0.144 0.000 2.550 244 F HA 0.528 5.054 4.527 -0.001 0.000 0.348 244 F C -2.157 173.643 175.800 -0.000 0.000 1.219 244 F CA -2.035 55.922 58.000 -0.072 0.000 1.203 244 F CB 2.005 40.921 39.000 -0.141 0.000 1.436 244 F HN 0.441 nan 8.300 nan 0.000 0.541 245 P HA -0.139 nan 4.420 nan 0.000 0.233 245 P C 0.041 177.507 177.300 0.276 0.000 1.167 245 P CA 0.600 63.804 63.100 0.173 0.000 0.770 245 P CB -0.272 31.565 31.700 0.228 0.000 0.837 246 Y N 2.609 122.967 120.300 0.096 0.000 2.587 246 Y HA 0.128 4.677 4.550 -0.001 0.000 0.344 246 Y C 0.713 176.811 175.900 0.329 0.000 1.061 246 Y CA -0.646 57.566 58.100 0.187 0.000 1.370 246 Y CB -0.086 38.421 38.460 0.079 0.000 1.163 246 Y HN -0.098 nan 8.280 nan 0.000 0.527 247 Q N 5.372 124.996 119.800 -0.293 0.000 2.307 247 Q HA 0.187 4.526 4.340 -0.001 0.000 0.261 247 Q C -0.564 175.027 176.000 -0.681 0.000 1.051 247 Q CA -0.246 55.378 55.803 -0.298 0.000 0.911 247 Q CB 0.489 29.145 28.738 -0.137 0.000 1.227 247 Q HN 0.736 nan 8.270 nan 0.000 0.418 248 S N 4.210 119.697 115.700 -0.354 0.000 2.499 248 S HA 0.254 4.724 4.470 -0.001 0.000 0.279 248 S C 0.995 175.550 174.600 -0.076 0.000 1.219 248 S CA -0.595 57.507 58.200 -0.164 0.000 1.062 248 S CB 0.610 63.972 63.200 0.270 0.000 0.978 248 S HN 0.813 nan 8.310 nan 0.000 0.489 249 I N 3.783 124.297 120.570 -0.092 0.000 2.233 249 I HA -0.123 4.047 4.170 -0.001 0.000 0.243 249 I C 2.631 178.686 176.117 -0.103 0.000 1.093 249 I CA 1.562 62.811 61.300 -0.085 0.000 1.380 249 I CB -0.393 37.557 38.000 -0.084 0.000 1.067 249 I HN 0.852 nan 8.210 nan 0.000 0.413 250 T N -1.896 112.569 114.554 -0.149 0.000 2.995 250 T HA -0.051 4.298 4.350 -0.001 0.000 0.269 250 T C 0.512 174.889 174.700 -0.537 0.000 1.091 250 T CA 0.704 62.594 62.100 -0.351 0.000 1.128 250 T CB -0.257 68.340 68.868 -0.453 0.000 0.891 250 T HN 0.060 nan 8.240 nan 0.000 0.492 251 F N 1.603 121.580 119.950 0.046 0.000 2.622 251 F HA 0.436 4.962 4.527 -0.001 0.000 0.338 251 F C -2.184 173.621 175.800 0.008 0.000 1.334 251 F CA -2.879 55.162 58.000 0.068 0.000 1.179 251 F CB 1.834 40.939 39.000 0.176 0.000 1.471 251 F HN -0.068 nan 8.300 nan 0.000 0.576 252 P HA -0.159 nan 4.420 nan 0.000 0.218 252 P C 1.336 178.647 177.300 0.019 0.000 1.148 252 P CA 1.339 64.459 63.100 0.034 0.000 0.822 252 P CB 0.399 32.102 31.700 0.005 0.000 0.784 253 E N -0.614 119.604 120.200 0.030 0.000 2.338 253 E HA -0.056 4.294 4.350 -0.001 0.000 0.197 253 E C 2.037 178.570 176.600 -0.112 0.000 1.007 253 E CA 0.499 56.883 56.400 -0.027 0.000 0.849 253 E CB -0.714 28.975 29.700 -0.019 0.000 0.774 253 E HN 0.348 nan 8.360 nan 0.000 0.506 254 L N 1.032 122.152 121.223 -0.171 0.000 1.989 254 L HA -0.222 4.117 4.340 -0.001 0.000 0.211 254 L C 2.628 179.285 176.870 -0.355 0.000 1.071 254 L CA 1.849 56.389 54.840 -0.501 0.000 0.749 254 L CB -0.628 40.916 42.059 -0.857 0.000 0.890 254 L HN 0.163 nan 8.230 nan 0.000 0.431 255 S N -0.811 114.842 115.700 -0.079 0.000 2.377 255 S HA -0.101 4.369 4.470 -0.001 0.000 0.223 255 S C 1.795 176.398 174.600 0.005 0.000 1.030 255 S CA 0.883 59.125 58.200 0.071 0.000 0.970 255 S CB -0.530 62.739 63.200 0.116 0.000 0.830 255 S HN 0.341 nan 8.310 nan 0.000 0.473 256 N N 2.234 120.921 118.700 -0.021 0.000 2.137 256 N HA -0.046 4.694 4.740 -0.001 0.000 0.190 256 N C 1.534 177.027 175.510 -0.028 0.000 1.017 256 N CA 1.510 54.548 53.050 -0.020 0.000 0.859 256 N CB -0.258 38.217 38.487 -0.021 0.000 1.002 256 N HN 0.618 nan 8.380 nan 0.000 0.428 257 K N -1.210 119.159 120.400 -0.051 0.000 2.348 257 K HA 0.212 4.532 4.320 -0.001 0.000 0.194 257 K C 1.750 178.317 176.600 -0.055 0.000 1.052 257 K CA 0.488 56.742 56.287 -0.055 0.000 1.004 257 K CB 0.464 32.919 32.500 -0.075 0.000 0.873 257 K HN 0.112 nan 8.250 nan 0.000 0.523 258 G N 1.093 109.855 108.800 -0.064 0.000 2.796 258 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.210 258 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.210 258 G C 0.533 175.433 174.900 -0.000 0.000 1.146 258 G CA -0.068 45.014 45.100 -0.031 0.000 0.779 258 G HN 0.282 nan 8.290 nan 0.000 0.535 259 S N -0.757 114.950 115.700 0.010 0.000 2.600 259 S HA 0.239 4.709 4.470 -0.001 0.000 0.265 259 S C 1.010 175.583 174.600 -0.046 0.000 1.325 259 S CA -0.481 57.707 58.200 -0.019 0.000 1.002 259 S CB 0.741 63.952 63.200 0.018 0.000 0.921 259 S HN 0.148 nan 8.310 nan 0.000 0.554 260 Y N 1.417 121.689 120.300 -0.046 0.000 2.224 260 Y HA 0.064 4.613 4.550 -0.001 0.000 0.289 260 Y C 1.780 177.552 175.900 -0.213 0.000 1.146 260 Y CA 1.113 59.115 58.100 -0.164 0.000 1.182 260 Y CB -0.566 37.700 38.460 -0.324 0.000 0.983 260 Y HN 1.006 nan 8.280 nan 0.000 0.524 261 S N -2.922 112.770 115.700 -0.013 0.000 2.661 261 S HA 0.246 4.716 4.470 -0.001 0.000 0.268 261 S C -0.146 174.485 174.600 0.052 0.000 1.162 261 S CA -0.729 57.478 58.200 0.012 0.000 0.817 261 S CB 0.284 63.489 63.200 0.008 0.000 1.141 261 S HN -0.100 nan 8.310 nan 0.000 0.477 262 L N 2.034 123.278 121.223 0.035 0.000 2.465 262 L HA 0.166 4.506 4.340 -0.001 0.000 0.224 262 L C 2.330 179.182 176.870 -0.031 0.000 1.145 262 L CA 1.740 56.581 54.840 0.002 0.000 0.834 262 L CB -0.392 41.666 42.059 -0.001 0.000 0.944 262 L HN 0.869 nan 8.230 nan 0.000 0.451 263 S N -3.069 112.626 115.700 -0.009 0.000 2.605 263 S HA 0.071 4.540 4.470 -0.001 0.000 0.217 263 S C 0.365 174.622 174.600 -0.571 0.000 0.958 263 S CA -0.192 57.907 58.200 -0.170 0.000 0.919 263 S CB -0.541 62.582 63.200 -0.129 0.000 0.780 263 S HN 0.409 nan 8.310 nan 0.000 0.507 264 H N 0.650 119.370 119.070 -0.583 0.000 2.429 264 H HA 0.688 5.243 4.556 -0.001 0.000 0.237 264 H C -0.854 173.980 175.328 -0.824 0.000 1.378 264 H CA -0.342 54.964 56.048 -1.236 0.000 1.170 264 H CB 0.401 29.842 29.762 -0.535 0.000 1.671 264 H HN 0.136 nan 8.280 nan 0.000 0.541 265 V N 0.929 120.513 119.914 -0.551 0.000 2.925 265 V HA 0.261 4.381 4.120 -0.001 0.000 0.311 265 V C -1.154 174.902 176.094 -0.064 0.000 1.104 265 V CA -1.003 61.203 62.300 -0.158 0.000 0.954 265 V CB 2.239 34.027 31.823 -0.057 0.000 1.022 265 V HN 0.294 nan 8.190 nan 0.000 0.427 266 Y N 1.866 122.344 120.300 0.297 0.000 2.417 266 Y HA 0.480 5.029 4.550 -0.001 0.000 0.336 266 Y C 1.057 177.028 175.900 0.119 0.000 0.961 266 Y CA -0.848 57.414 58.100 0.271 0.000 1.215 266 Y CB 1.333 39.997 38.460 0.340 0.000 1.120 266 Y HN 0.762 nan 8.280 nan 0.000 0.499 267 T N 0.485 115.171 114.554 0.219 0.000 2.813 267 T HA 0.138 4.488 4.350 -0.001 0.000 0.297 267 T C -1.788 172.960 174.700 0.080 0.000 1.036 267 T CA -1.665 60.492 62.100 0.094 0.000 1.044 267 T CB 1.148 70.060 68.868 0.073 0.000 0.993 267 T HN 0.261 nan 8.240 nan 0.000 0.535 268 P HA -0.107 nan 4.420 nan 0.000 0.216 268 P C 1.360 178.680 177.300 0.033 0.000 1.150 268 P CA 1.122 64.221 63.100 -0.002 0.000 0.843 268 P CB -0.066 31.617 31.700 -0.028 0.000 0.787 269 N N -1.181 117.548 118.700 0.049 0.000 2.216 269 N HA -0.128 4.612 4.740 -0.001 0.000 0.183 269 N C 1.324 176.893 175.510 0.098 0.000 1.017 269 N CA 1.117 54.204 53.050 0.062 0.000 0.861 269 N CB -0.472 38.047 38.487 0.053 0.000 0.986 269 N HN -0.040 nan 8.380 nan 0.000 0.428 270 D N -0.454 120.032 120.400 0.143 0.000 2.123 270 D HA -0.123 4.517 4.640 -0.001 0.000 0.196 270 D C 1.950 178.377 176.300 0.212 0.000 0.992 270 D CA 0.802 54.923 54.000 0.203 0.000 0.833 270 D CB -0.384 40.623 40.800 0.345 0.000 0.954 270 D HN 0.094 nan 8.370 nan 0.000 0.455 271 V N 1.071 121.110 119.914 0.208 0.000 2.295 271 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 271 V C 2.516 178.673 176.094 0.106 0.000 1.049 271 V CA 1.537 63.950 62.300 0.189 0.000 1.024 271 V CB -0.376 31.476 31.823 0.049 0.000 0.648 271 V HN 0.121 nan 8.190 nan 0.000 0.447 272 R N -0.674 119.860 120.500 0.056 0.000 2.091 272 R HA -0.217 4.122 4.340 -0.001 0.000 0.238 272 R C 2.363 178.732 176.300 0.114 0.000 1.136 272 R CA 2.117 58.255 56.100 0.063 0.000 0.959 272 R CB -0.443 29.890 30.300 0.055 0.000 0.856 272 R HN 0.477 nan 8.270 nan 0.000 0.437 273 M N 0.479 120.146 119.600 0.112 0.000 2.080 273 M HA -0.192 4.287 4.480 -0.001 0.000 0.260 273 M C 2.049 178.431 176.300 0.137 0.000 1.068 273 M CA 1.685 57.054 55.300 0.116 0.000 1.109 273 M CB 0.027 32.674 32.600 0.080 0.000 1.342 273 M HN 0.011 nan 8.290 nan 0.000 0.405 274 V N 0.714 120.696 119.914 0.113 0.000 2.343 274 V HA -0.302 3.818 4.120 -0.001 0.000 0.247 274 V C 2.243 178.444 176.094 0.178 0.000 1.051 274 V CA 1.972 64.324 62.300 0.086 0.000 1.036 274 V CB -0.627 31.197 31.823 0.002 0.000 0.654 274 V HN 0.510 nan 8.190 nan 0.000 0.451 275 I N -0.482 120.212 120.570 0.207 0.000 2.179 275 I HA -0.197 3.973 4.170 -0.001 0.000 0.242 275 I C 2.718 179.018 176.117 0.305 0.000 1.088 275 I CA 1.435 62.880 61.300 0.242 0.000 1.357 275 I CB -0.363 37.734 38.000 0.162 0.000 1.051 275 I HN 0.274 nan 8.210 nan 0.000 0.409 276 E N 0.346 120.707 120.200 0.269 0.000 2.051 276 E HA -0.258 4.091 4.350 -0.001 0.000 0.192 276 E C 2.084 178.809 176.600 0.209 0.000 0.991 276 E CA 1.522 58.064 56.400 0.238 0.000 0.799 276 E CB -0.465 29.343 29.700 0.180 0.000 0.748 276 E HN 0.476 nan 8.360 nan 0.000 0.449 277 Y N 0.729 121.083 120.300 0.090 0.000 2.165 277 Y HA -0.268 4.282 4.550 -0.001 0.000 0.286 277 Y C 2.183 178.126 175.900 0.072 0.000 1.155 277 Y CA 2.042 60.178 58.100 0.060 0.000 1.164 277 Y CB -0.409 38.068 38.460 0.027 0.000 0.978 277 Y HN 0.093 nan 8.280 nan 0.000 0.513 278 A N 0.174 123.138 122.820 0.240 0.000 1.877 278 A HA -0.228 4.092 4.320 -0.001 0.000 0.216 278 A C 2.352 180.033 177.584 0.161 0.000 1.186 278 A CA 1.827 53.969 52.037 0.175 0.000 0.620 278 A CB -0.804 18.305 19.000 0.182 0.000 0.822 278 A HN 0.508 nan 8.150 nan 0.000 0.443 279 R N -0.364 120.262 120.500 0.210 0.000 2.091 279 R HA -0.081 4.259 4.340 -0.001 0.000 0.238 279 R C 1.905 178.319 176.300 0.189 0.000 1.136 279 R CA 1.547 57.783 56.100 0.227 0.000 0.959 279 R CB -0.431 29.972 30.300 0.171 0.000 0.856 279 R HN 0.544 nan 8.270 nan 0.000 0.437 280 L N -0.047 121.222 121.223 0.076 0.000 2.265 280 L HA -0.131 4.208 4.340 -0.001 0.000 0.215 280 L C 1.779 178.672 176.870 0.039 0.000 1.117 280 L CA 1.241 56.087 54.840 0.010 0.000 0.782 280 L CB -0.113 41.892 42.059 -0.090 0.000 0.914 280 L HN 0.131 nan 8.230 nan 0.000 0.441 281 R N -0.463 120.074 120.500 0.061 0.000 2.468 281 R HA 0.211 4.551 4.340 -0.001 0.000 0.280 281 R C 1.043 177.460 176.300 0.195 0.000 0.963 281 R CA 0.477 56.636 56.100 0.099 0.000 1.083 281 R CB 0.597 30.908 30.300 0.019 0.000 1.200 281 R HN 0.251 nan 8.270 nan 0.000 0.541 282 G N 1.545 110.526 108.800 0.302 0.000 2.221 282 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.265 282 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.265 282 G C -0.016 174.958 174.900 0.125 0.000 1.041 282 G CA 0.049 45.361 45.100 0.353 0.000 0.807 282 G HN 0.274 nan 8.290 nan 0.000 0.502 283 I N -0.125 120.517 120.570 0.121 0.000 2.404 283 I HA 0.438 4.608 4.170 -0.001 0.000 0.293 283 I C 0.811 176.981 176.117 0.087 0.000 0.992 283 I CA -0.999 60.354 61.300 0.088 0.000 1.149 283 I CB 1.425 39.487 38.000 0.104 0.000 1.315 283 I HN 0.017 nan 8.210 nan 0.000 0.446 284 R N 4.395 124.920 120.500 0.042 0.000 2.357 284 R HA 0.502 4.841 4.340 -0.001 0.000 0.296 284 R C -0.972 175.385 176.300 0.095 0.000 1.052 284 R CA -0.609 55.528 56.100 0.062 0.000 0.988 284 R CB 1.378 31.680 30.300 0.003 0.000 1.025 284 R HN 0.335 nan 8.270 nan 0.000 0.469 285 V N 5.041 125.046 119.914 0.151 0.000 2.318 285 V HA 0.153 4.272 4.120 -0.001 0.000 0.271 285 V C -0.592 175.609 176.094 0.177 0.000 1.030 285 V CA -0.659 61.767 62.300 0.210 0.000 0.844 285 V CB 1.132 33.161 31.823 0.344 0.000 1.015 285 V HN 0.448 nan 8.190 nan 0.000 0.460 286 L N 9.827 131.110 121.223 0.100 0.000 2.270 286 L HA 0.606 4.946 4.340 -0.001 0.000 0.286 286 L C -2.231 174.590 176.870 -0.083 0.000 1.059 286 L CA -1.828 53.014 54.840 0.003 0.000 0.839 286 L CB 1.142 43.176 42.059 -0.041 0.000 1.221 286 L HN 0.356 nan 8.230 nan 0.000 0.431 287 P HA 0.167 nan 4.420 nan 0.000 0.279 287 P C -1.156 175.979 177.300 -0.274 0.000 1.239 287 P CA -0.264 62.496 63.100 -0.567 0.000 0.789 287 P CB 1.085 31.993 31.700 -1.321 0.000 0.933 288 E N 2.594 122.606 120.200 -0.313 0.000 2.165 288 E HA 0.384 4.734 4.350 -0.001 0.000 0.266 288 E C -1.552 174.821 176.600 -0.377 0.000 0.889 288 E CA -0.651 55.681 56.400 -0.113 0.000 0.756 288 E CB 0.630 30.384 29.700 0.090 0.000 1.131 288 E HN 0.258 nan 8.360 nan 0.000 0.411 289 F N 3.424 123.471 119.950 0.161 0.000 2.453 289 F HA 0.182 4.709 4.527 -0.001 0.000 0.358 289 F C 0.105 176.179 175.800 0.457 0.000 1.129 289 F CA -0.879 57.328 58.000 0.345 0.000 1.200 289 F CB 0.915 40.242 39.000 0.546 0.000 1.431 289 F HN 0.377 nan 8.300 nan 0.000 0.503 290 D N 2.502 123.143 120.400 0.401 0.000 2.417 290 D HA 0.239 4.879 4.640 -0.001 0.000 0.250 290 D C 0.093 176.541 176.300 0.247 0.000 1.166 290 D CA 0.724 54.950 54.000 0.377 0.000 0.881 290 D CB 0.920 41.939 40.800 0.364 0.000 1.164 290 D HN 0.532 nan 8.370 nan 0.000 0.467 291 T N 0.579 115.284 114.554 0.252 0.000 2.843 291 T HA 0.491 4.841 4.350 -0.001 0.000 0.302 291 T C -2.427 172.434 174.700 0.268 0.000 1.232 291 T CA -1.163 61.004 62.100 0.112 0.000 1.009 291 T CB 2.113 71.070 68.868 0.148 0.000 1.254 291 T HN 0.045 nan 8.240 nan 0.000 0.504 292 P HA 0.207 nan 4.420 nan 0.000 0.230 292 P C 1.024 178.208 177.300 -0.193 0.000 1.168 292 P CA 0.485 63.469 63.100 -0.193 0.000 0.793 292 P CB -0.308 31.161 31.700 -0.385 0.000 0.851 293 G N -0.723 108.003 108.800 -0.123 0.000 2.588 293 G HA2 0.123 4.082 3.960 -0.001 0.000 0.281 293 G HA3 0.123 4.082 3.960 -0.001 0.000 0.281 293 G C -0.181 174.672 174.900 -0.077 0.000 1.236 293 G CA -0.191 44.789 45.100 -0.201 0.000 0.969 293 G HN 0.280 nan 8.290 nan 0.000 0.504 294 H N -1.629 117.380 119.070 -0.102 0.000 2.862 294 H HA -0.180 4.375 4.556 -0.001 0.000 0.290 294 H C 1.212 176.539 175.328 -0.001 0.000 1.211 294 H CA 1.369 57.400 56.048 -0.028 0.000 1.140 294 H CB -1.978 27.808 29.762 0.040 0.000 1.341 294 H HN 0.692 nan 8.280 nan 0.000 0.392 295 T N -3.056 111.472 114.554 -0.043 0.000 3.200 295 T HA 0.316 4.665 4.350 -0.001 0.000 0.284 295 T C 1.809 176.552 174.700 0.072 0.000 1.009 295 T CA -0.324 61.693 62.100 -0.137 0.000 0.907 295 T CB 0.332 68.827 68.868 -0.622 0.000 1.120 295 T HN 0.184 nan 8.240 nan 0.000 0.534 296 L N 2.024 123.295 121.223 0.079 0.000 2.042 296 L HA -0.138 4.201 4.340 -0.001 0.000 0.210 296 L C 2.965 179.893 176.870 0.097 0.000 1.076 296 L CA 2.066 56.940 54.840 0.057 0.000 0.749 296 L CB -0.545 41.543 42.059 0.047 0.000 0.893 296 L HN 0.579 nan 8.230 nan 0.000 0.432 297 S N -1.450 114.370 115.700 0.200 0.000 2.442 297 S HA -0.209 4.260 4.470 -0.001 0.000 0.236 297 S C 1.486 176.180 174.600 0.157 0.000 1.007 297 S CA 0.726 59.032 58.200 0.176 0.000 0.965 297 S CB -0.661 62.670 63.200 0.218 0.000 0.773 297 S HN 0.464 nan 8.310 nan 0.000 0.504 298 W N 2.228 123.504 121.300 -0.040 0.000 2.402 298 W HA 0.300 4.959 4.660 -0.001 0.000 0.286 298 W C 2.686 178.989 176.519 -0.359 0.000 1.221 298 W CA 0.203 57.407 57.345 -0.234 0.000 1.257 298 W CB -1.195 28.170 29.460 -0.158 0.000 1.120 298 W HN 0.436 nan 8.180 nan 0.000 0.551 299 G N 0.355 109.095 108.800 -0.099 0.000 2.509 299 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.218 299 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.218 299 G C 1.630 176.351 174.900 -0.298 0.000 1.124 299 G CA 0.611 45.528 45.100 -0.305 0.000 0.776 299 G HN 0.035 nan 8.290 nan 0.000 0.547 300 K N 0.766 121.043 120.400 -0.205 0.000 2.026 300 K HA -0.039 4.280 4.320 -0.001 0.000 0.208 300 K C 2.513 179.009 176.600 -0.173 0.000 1.048 300 K CA 1.396 57.587 56.287 -0.162 0.000 0.929 300 K CB -0.893 31.544 32.500 -0.106 0.000 0.713 300 K HN 0.278 nan 8.250 nan 0.000 0.439 301 G N 0.155 108.826 108.800 -0.216 0.000 2.719 301 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.211 301 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.211 301 G C 0.391 175.153 174.900 -0.230 0.000 1.140 301 G CA -0.041 44.937 45.100 -0.204 0.000 0.790 301 G HN 0.228 nan 8.290 nan 0.000 0.529 302 Q N 1.675 121.276 119.800 -0.332 0.000 2.413 302 Q HA 0.296 4.636 4.340 -0.001 0.000 0.258 302 Q C -0.137 175.640 176.000 -0.372 0.000 1.037 302 Q CA -0.825 54.718 55.803 -0.433 0.000 0.764 302 Q CB 0.643 28.888 28.738 -0.821 0.000 1.217 302 Q HN 0.219 nan 8.270 nan 0.000 0.490 303 K N 2.445 122.688 120.400 -0.261 0.000 2.295 303 K HA 0.213 4.532 4.320 -0.001 0.000 0.270 303 K C -0.555 175.922 176.600 -0.206 0.000 1.011 303 K CA -0.133 56.030 56.287 -0.207 0.000 0.953 303 K CB 0.591 33.017 32.500 -0.122 0.000 0.956 303 K HN 0.640 nan 8.250 nan 0.000 0.477 304 D N -0.478 119.820 120.400 -0.171 0.000 3.046 304 D HA -0.186 4.454 4.640 -0.001 0.000 0.210 304 D C 0.683 176.878 176.300 -0.174 0.000 1.124 304 D CA 1.098 55.022 54.000 -0.128 0.000 0.986 304 D CB -0.992 39.760 40.800 -0.079 0.000 1.118 304 D HN 0.535 nan 8.370 nan 0.000 0.416 305 L N -0.149 120.913 121.223 -0.269 0.000 2.049 305 L HA 0.159 4.499 4.340 -0.001 0.000 0.203 305 L C 0.809 177.551 176.870 -0.212 0.000 1.074 305 L CA 1.251 55.911 54.840 -0.300 0.000 0.749 305 L CB -0.002 41.784 42.059 -0.456 0.000 0.907 305 L HN 0.125 nan 8.230 nan 0.000 0.439 306 L N 0.168 121.255 121.223 -0.227 0.000 2.418 306 L HA 0.235 4.575 4.340 -0.001 0.000 0.265 306 L C 0.221 177.120 176.870 0.048 0.000 1.143 306 L CA -0.554 54.209 54.840 -0.128 0.000 0.809 306 L CB 0.648 42.569 42.059 -0.229 0.000 1.124 306 L HN -0.024 nan 8.230 nan 0.000 0.456 307 T N 2.840 117.482 114.554 0.147 0.000 2.814 307 T HA 0.208 4.558 4.350 -0.001 0.000 0.297 307 T C -2.333 172.542 174.700 0.291 0.000 0.956 307 T CA -0.887 61.347 62.100 0.224 0.000 1.123 307 T CB 0.683 69.741 68.868 0.316 0.000 0.902 307 T HN 0.315 nan 8.240 nan 0.000 0.528 308 P HA 0.262 nan 4.420 nan 0.000 0.276 308 P C -0.658 176.598 177.300 -0.072 0.000 1.230 308 P CA -0.585 62.509 63.100 -0.009 0.000 0.776 308 P CB 0.322 31.962 31.700 -0.100 0.000 0.888 309 c N 3.511 121.984 118.600 -0.212 0.000 2.347 309 c HA 0.262 4.832 4.570 -0.001 0.000 0.353 309 c C 0.116 174.090 174.090 -0.193 0.000 1.273 309 c CA -0.195 56.072 56.329 -0.104 0.000 1.861 309 c CB -1.241 41.204 42.510 -0.109 0.000 2.420 309 c HN 0.521 nan 8.230 nan 0.000 0.542 310 Y N 3.322 123.586 120.300 -0.059 0.000 2.632 310 Y HA 0.454 5.004 4.550 -0.001 0.000 0.336 310 Y C 0.971 176.843 175.900 -0.047 0.000 1.237 310 Y CA 0.677 58.748 58.100 -0.049 0.000 1.595 310 Y CB -0.101 38.346 38.460 -0.022 0.000 1.508 310 Y HN 0.893 nan 8.280 nan 0.000 0.480 317 D N -1.145 119.207 120.400 -0.079 0.000 2.530 317 D HA 0.383 5.022 4.640 -0.001 0.000 0.282 317 D C 0.806 177.024 176.300 -0.136 0.000 1.204 317 D CA 0.235 54.183 54.000 -0.086 0.000 1.093 317 D CB 1.296 42.053 40.800 -0.072 0.000 1.154 317 D HN -0.096 nan 8.370 nan 0.000 0.593 318 S N -1.393 114.207 115.700 -0.167 0.000 2.452 318 S HA 0.196 4.666 4.470 -0.001 0.000 0.225 318 S C -0.068 174.182 174.600 -0.583 0.000 1.057 318 S CA 0.278 58.258 58.200 -0.368 0.000 0.949 318 S CB 0.252 63.243 63.200 -0.348 0.000 0.836 318 S HN 0.245 nan 8.310 nan 0.000 0.518 319 F N 0.155 120.060 119.950 -0.076 0.000 2.563 319 F HA 0.689 5.215 4.527 -0.001 0.000 0.316 319 F C 0.727 176.472 175.800 -0.092 0.000 1.076 319 F CA -0.882 57.073 58.000 -0.076 0.000 0.921 319 F CB 1.478 40.435 39.000 -0.071 0.000 1.209 319 F HN 0.119 nan 8.300 nan 0.000 0.462 320 G N 0.923 109.793 108.800 0.116 0.000 3.008 320 G HA2 0.656 4.615 3.960 -0.001 0.000 0.181 320 G HA3 0.656 4.615 3.960 -0.001 0.000 0.181 320 G C -2.863 171.988 174.900 -0.083 0.000 1.309 320 G CA -1.659 43.415 45.100 -0.043 0.000 1.009 320 G HN 0.311 nan 8.290 nan 0.000 0.584 321 P HA 0.161 nan 4.420 nan 0.000 0.272 321 P C 0.220 177.494 177.300 -0.045 0.000 1.254 321 P CA -0.284 62.683 63.100 -0.222 0.000 0.795 321 P CB 0.504 31.921 31.700 -0.471 0.000 1.022 322 I N 1.104 121.599 120.570 -0.125 0.000 2.880 322 I HA -0.108 4.061 4.170 -0.001 0.000 0.296 322 I C 1.236 177.373 176.117 0.034 0.000 1.220 322 I CA 0.421 61.638 61.300 -0.139 0.000 1.435 322 I CB -0.135 37.681 38.000 -0.306 0.000 1.339 322 I HN 0.327 nan 8.210 nan 0.000 0.583 323 N N 9.279 127.967 118.700 -0.020 0.000 2.399 323 N HA 0.106 4.846 4.740 -0.001 0.000 0.259 323 N C -1.720 173.698 175.510 -0.153 0.000 1.160 323 N CA -1.855 51.173 53.050 -0.037 0.000 0.946 323 N CB 0.919 39.375 38.487 -0.052 0.000 1.156 323 N HN 0.304 nan 8.380 nan 0.000 0.489 324 P HA 0.060 nan 4.420 nan 0.000 0.255 324 P C 0.620 177.887 177.300 -0.056 0.000 1.248 324 P CA 0.498 63.589 63.100 -0.015 0.000 0.807 324 P CB 0.109 31.819 31.700 0.018 0.000 1.150 325 T N -3.469 110.844 114.554 -0.402 0.000 3.044 325 T HA 0.211 4.560 4.350 -0.001 0.000 0.250 325 T C 0.727 175.271 174.700 -0.259 0.000 1.081 325 T CA -0.062 61.564 62.100 -0.791 0.000 1.040 325 T CB -0.408 67.856 68.868 -1.006 0.000 0.962 325 T HN -0.055 nan 8.240 nan 0.000 0.506 326 L N 1.885 123.050 121.223 -0.097 0.000 2.325 326 L HA 0.471 4.811 4.340 -0.001 0.000 0.279 326 L C 1.268 178.210 176.870 0.121 0.000 1.054 326 L CA -0.737 54.102 54.840 -0.001 0.000 0.804 326 L CB 0.910 42.942 42.059 -0.045 0.000 1.200 326 L HN 0.077 nan 8.230 nan 0.000 0.436 327 N N 0.323 119.125 118.700 0.171 0.000 2.331 327 N HA -0.130 4.609 4.740 -0.001 0.000 0.180 327 N C 1.413 177.036 175.510 0.189 0.000 1.019 327 N CA 1.407 54.608 53.050 0.251 0.000 0.881 327 N CB 0.218 38.821 38.487 0.193 0.000 0.972 327 N HN 0.805 nan 8.380 nan 0.000 0.435 328 T N -1.672 112.944 114.554 0.102 0.000 2.915 328 T HA -0.067 4.283 4.350 -0.001 0.000 0.269 328 T C 1.970 176.710 174.700 0.067 0.000 1.071 328 T CA 1.158 63.309 62.100 0.085 0.000 1.132 328 T CB -0.531 68.357 68.868 0.034 0.000 0.878 328 T HN 0.003 nan 8.240 nan 0.000 0.479 329 T N 1.312 115.841 114.554 -0.043 0.000 2.674 329 T HA -0.061 4.289 4.350 -0.001 0.000 0.265 329 T C 1.512 176.178 174.700 -0.057 0.000 1.039 329 T CA 1.566 63.579 62.100 -0.145 0.000 1.150 329 T CB -0.561 68.056 68.868 -0.418 0.000 0.864 329 T HN 0.533 nan 8.240 nan 0.000 0.427 330 Y N 1.023 121.442 120.300 0.199 0.000 2.314 330 Y HA 0.020 4.569 4.550 -0.001 0.000 0.293 330 Y C 2.953 178.957 175.900 0.173 0.000 1.129 330 Y CA 0.625 58.828 58.100 0.172 0.000 1.201 330 Y CB -0.760 37.769 38.460 0.113 0.000 0.999 330 Y HN 0.195 nan 8.280 nan 0.000 0.541 331 S N -0.027 115.849 115.700 0.294 0.000 2.368 331 S HA -0.227 4.243 4.470 -0.001 0.000 0.224 331 S C 2.031 176.799 174.600 0.278 0.000 1.029 331 S CA 1.109 59.458 58.200 0.248 0.000 0.988 331 S CB -0.723 62.605 63.200 0.214 0.000 0.838 331 S HN 0.442 nan 8.310 nan 0.000 0.462 332 F N 2.139 122.163 119.950 0.123 0.000 2.102 332 F HA 0.040 4.566 4.527 -0.001 0.000 0.298 332 F C 1.789 177.667 175.800 0.129 0.000 1.105 332 F CA 1.618 59.658 58.000 0.068 0.000 1.239 332 F CB -0.457 38.453 39.000 -0.150 0.000 0.991 332 F HN 0.205 nan 8.300 nan 0.000 0.474 333 L N -0.338 120.934 121.223 0.082 0.000 2.201 333 L HA -0.187 4.152 4.340 -0.001 0.000 0.212 333 L C 2.298 179.299 176.870 0.219 0.000 1.105 333 L CA 1.505 56.395 54.840 0.083 0.000 0.775 333 L CB -1.128 41.135 42.059 0.339 0.000 0.913 333 L HN 0.191 nan 8.230 nan 0.000 0.440 334 T N -1.256 113.427 114.554 0.216 0.000 2.701 334 T HA -0.172 4.178 4.350 -0.001 0.000 0.263 334 T C 1.942 176.734 174.700 0.153 0.000 1.040 334 T CA 1.974 64.193 62.100 0.198 0.000 1.147 334 T CB -0.276 68.692 68.868 0.167 0.000 0.865 334 T HN 0.298 nan 8.240 nan 0.000 0.426 335 T N 1.723 116.367 114.554 0.149 0.000 2.746 335 T HA -0.037 4.312 4.350 -0.001 0.000 0.267 335 T C 1.561 176.331 174.700 0.117 0.000 1.039 335 T CA 1.021 63.203 62.100 0.137 0.000 1.142 335 T CB -0.494 68.511 68.868 0.228 0.000 0.866 335 T HN 0.317 nan 8.240 nan 0.000 0.444 336 F N 1.064 120.956 119.950 -0.096 0.000 2.075 336 F HA -0.038 4.488 4.527 -0.001 0.000 0.297 336 F C 1.714 177.338 175.800 -0.294 0.000 1.113 336 F CA 1.226 59.050 58.000 -0.292 0.000 1.218 336 F CB -0.440 38.054 39.000 -0.843 0.000 0.984 336 F HN 0.081 nan 8.300 nan 0.000 0.472 337 F N 0.769 120.710 119.950 -0.015 0.000 2.293 337 F HA -0.074 4.452 4.527 -0.001 0.000 0.300 337 F C 2.359 178.082 175.800 -0.129 0.000 1.086 337 F CA 1.419 59.355 58.000 -0.107 0.000 1.375 337 F CB -0.919 38.100 39.000 0.031 0.000 1.045 337 F HN -0.064 nan 8.300 nan 0.000 0.516 338 K N 0.673 121.115 120.400 0.071 0.000 2.057 338 K HA -0.228 4.092 4.320 -0.001 0.000 0.207 338 K C 2.166 178.738 176.600 -0.048 0.000 1.049 338 K CA 1.668 57.965 56.287 0.018 0.000 0.931 338 K CB -0.254 32.258 32.500 0.020 0.000 0.714 338 K HN 0.256 nan 8.250 nan 0.000 0.440 339 E N 0.140 120.266 120.200 -0.123 0.000 2.085 339 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 339 E C 1.811 178.321 176.600 -0.150 0.000 0.994 339 E CA 1.305 57.613 56.400 -0.154 0.000 0.801 339 E CB 0.037 29.611 29.700 -0.210 0.000 0.743 339 E HN 0.260 nan 8.360 nan 0.000 0.453 340 I N 1.537 121.958 120.570 -0.249 0.000 2.226 340 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 340 I C 2.711 178.875 176.117 0.078 0.000 1.100 340 I CA 1.510 62.746 61.300 -0.105 0.000 1.374 340 I CB -1.624 36.223 38.000 -0.255 0.000 1.057 340 I HN 0.179 nan 8.210 nan 0.000 0.413 341 S N 0.374 116.096 115.700 0.036 0.000 2.440 341 S HA -0.181 4.289 4.470 -0.001 0.000 0.238 341 S C 1.669 176.276 174.600 0.011 0.000 1.010 341 S CA 1.183 59.402 58.200 0.032 0.000 0.972 341 S CB -0.426 62.780 63.200 0.011 0.000 0.774 341 S HN 0.580 nan 8.310 nan 0.000 0.501 342 E N 0.373 120.567 120.200 -0.009 0.000 2.166 342 E HA 0.112 4.462 4.350 -0.001 0.000 0.192 342 E C 2.048 178.612 176.600 -0.061 0.000 0.967 342 E CA 0.587 56.968 56.400 -0.031 0.000 0.840 342 E CB -0.055 29.623 29.700 -0.037 0.000 0.795 342 E HN 0.345 nan 8.360 nan 0.000 0.470 343 V N 0.806 120.675 119.914 -0.075 0.000 2.323 343 V HA -0.122 3.997 4.120 -0.001 0.000 0.244 343 V C 0.497 176.370 176.094 -0.367 0.000 1.041 343 V CA 1.218 63.388 62.300 -0.216 0.000 1.025 343 V CB -0.167 31.516 31.823 -0.234 0.000 0.656 343 V HN 0.092 nan 8.190 nan 0.000 0.451 344 F N 1.586 121.496 119.950 -0.066 0.000 2.361 344 F HA 0.371 4.898 4.527 -0.001 0.000 0.364 344 F C -1.071 174.636 175.800 -0.154 0.000 1.120 344 F CA -2.180 55.769 58.000 -0.085 0.000 1.102 344 F CB 0.980 39.963 39.000 -0.028 0.000 1.183 344 F HN 0.048 nan 8.300 nan 0.000 0.476 345 P HA -0.121 nan 4.420 nan 0.000 0.229 345 P C 0.120 177.324 177.300 -0.159 0.000 1.160 345 P CA 0.551 63.469 63.100 -0.304 0.000 0.777 345 P CB 0.122 31.273 31.700 -0.914 0.000 0.814 346 D N 0.050 120.414 120.400 -0.060 0.000 2.478 346 D HA -0.069 4.571 4.640 -0.001 0.000 0.234 346 D C 1.564 177.868 176.300 0.007 0.000 1.154 346 D CA 0.377 54.390 54.000 0.022 0.000 0.874 346 D CB 0.623 41.477 40.800 0.090 0.000 1.198 346 D HN 0.015 nan 8.370 nan 0.000 0.455 347 Q N 1.176 120.973 119.800 -0.004 0.000 2.226 347 Q HA -0.067 4.273 4.340 -0.001 0.000 0.204 347 Q C -0.097 175.665 176.000 -0.397 0.000 0.975 347 Q CA 0.800 56.480 55.803 -0.205 0.000 0.866 347 Q CB 0.087 28.649 28.738 -0.293 0.000 0.915 347 Q HN 0.473 nan 8.270 nan 0.000 0.440 348 F N -0.243 119.685 119.950 -0.036 0.000 2.458 348 F HA 0.475 5.002 4.527 -0.000 0.000 0.330 348 F C -0.063 175.690 175.800 -0.078 0.000 1.082 348 F CA -0.920 57.040 58.000 -0.067 0.000 0.995 348 F CB 1.274 40.229 39.000 -0.074 0.000 1.170 348 F HN -0.198 nan 8.300 nan 0.000 0.478 349 I N 2.318 122.933 120.570 0.074 0.000 2.498 349 I HA 0.213 4.383 4.170 -0.001 0.000 0.290 349 I C -0.792 175.326 176.117 0.002 0.000 1.032 349 I CA -0.763 60.547 61.300 0.017 0.000 1.073 349 I CB 1.704 39.687 38.000 -0.028 0.000 1.251 349 I HN 0.512 nan 8.210 nan 0.000 0.426 350 H N 6.906 125.927 119.070 -0.082 0.000 2.604 350 H HA 0.332 4.887 4.556 -0.001 0.000 0.306 350 H C 0.223 175.547 175.328 -0.007 0.000 1.075 350 H CA 0.069 56.035 56.048 -0.137 0.000 1.357 350 H CB 1.524 31.120 29.762 -0.277 0.000 1.426 350 H HN 0.594 nan 8.280 nan 0.000 0.470 351 L N 4.112 125.402 121.223 0.112 0.000 2.567 351 L HA 0.132 4.472 4.340 -0.001 0.000 0.225 351 L C 1.766 178.848 176.870 0.354 0.000 1.119 351 L CA 0.540 55.499 54.840 0.198 0.000 0.871 351 L CB -0.034 42.040 42.059 0.025 0.000 1.036 351 L HN 0.938 nan 8.230 nan 0.000 0.459 352 G N 0.818 109.907 108.800 0.482 0.000 2.559 352 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.282 352 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.282 352 G C 0.835 176.092 174.900 0.596 0.000 1.177 352 G CA 0.017 45.475 45.100 0.597 0.000 0.960 352 G HN 0.782 nan 8.290 nan 0.000 0.540 353 G N -0.144 108.967 108.800 0.518 0.000 2.141 353 G HA2 0.043 4.002 3.960 -0.001 0.000 0.242 353 G HA3 0.043 4.002 3.960 -0.001 0.000 0.242 353 G C 0.143 175.293 174.900 0.417 0.000 0.982 353 G CA 1.331 46.687 45.100 0.428 0.000 0.662 353 G HN 2.097 nan 8.290 nan 0.000 0.527 354 D N 0.290 120.946 120.400 0.427 0.000 2.283 354 D HA 0.398 5.037 4.640 -0.001 0.000 0.248 354 D C 0.652 177.026 176.300 0.122 0.000 1.072 354 D CA -0.085 54.044 54.000 0.214 0.000 0.929 354 D CB 0.429 41.059 40.800 -0.282 0.000 1.182 354 D HN 0.489 nan 8.370 nan 0.000 0.433 355 E N -0.910 119.333 120.200 0.072 0.000 2.294 355 E HA -0.158 4.191 4.350 -0.001 0.000 0.228 355 E C -0.480 175.981 176.600 -0.233 0.000 1.253 355 E CA 0.055 56.416 56.400 -0.066 0.000 0.716 355 E CB -1.283 28.375 29.700 -0.069 0.000 1.184 355 E HN 0.282 nan 8.360 nan 0.000 0.374 356 V N 1.429 121.195 119.914 -0.247 0.000 2.479 356 V HA -0.019 4.101 4.120 -0.001 0.000 0.281 356 V C 0.886 176.554 176.094 -0.709 0.000 1.031 356 V CA 0.612 62.659 62.300 -0.422 0.000 1.038 356 V CB 0.851 32.495 31.823 -0.299 0.000 0.981 356 V HN 0.188 nan 8.190 nan 0.000 0.478 357 E N 3.866 123.679 120.200 -0.645 0.000 2.259 357 E HA 0.281 4.630 4.350 -0.001 0.000 0.281 357 E C -0.337 175.884 176.600 -0.632 0.000 1.027 357 E CA -0.325 55.713 56.400 -0.603 0.000 0.838 357 E CB 0.825 30.284 29.700 -0.402 0.000 1.066 357 E HN 0.583 nan 8.360 nan 0.000 0.401 358 F N 1.587 121.326 119.950 -0.351 0.000 2.698 358 F HA 0.075 4.601 4.527 -0.001 0.000 0.295 358 F C 1.680 177.255 175.800 -0.375 0.000 1.124 358 F CA -0.037 57.726 58.000 -0.395 0.000 1.426 358 F CB -0.062 38.821 39.000 -0.195 0.000 1.120 358 F HN 0.257 nan 8.300 nan 0.000 0.583 359 K N -0.048 120.288 120.400 -0.107 0.000 2.113 359 K HA -0.193 4.127 4.320 -0.001 0.000 0.208 359 K C 2.331 178.886 176.600 -0.075 0.000 1.047 359 K CA 1.122 57.359 56.287 -0.083 0.000 0.928 359 K CB -1.364 31.094 32.500 -0.071 0.000 0.716 359 K HN 0.347 nan 8.250 nan 0.000 0.446 360 c N -0.168 118.372 118.600 -0.101 0.000 2.476 360 c HA -0.064 4.505 4.570 -0.001 0.000 0.278 360 c C 2.370 176.523 174.090 0.106 0.000 1.274 360 c CA 0.023 56.342 56.329 -0.017 0.000 1.713 360 c CB -1.001 41.472 42.510 -0.063 0.000 2.039 360 c HN 0.534 nan 8.230 nan 0.000 0.484 361 W N 1.098 122.308 121.300 -0.150 0.000 2.358 361 W HA -0.052 4.607 4.660 -0.001 0.000 0.303 361 W C 2.510 178.837 176.519 -0.321 0.000 1.208 361 W CA 1.379 58.598 57.345 -0.211 0.000 1.274 361 W CB -1.411 27.868 29.460 -0.302 0.000 1.138 361 W HN 0.497 nan 8.180 nan 0.000 0.515 362 E N 0.345 120.345 120.200 -0.334 0.000 2.077 362 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 362 E C 2.076 178.704 176.600 0.045 0.000 0.989 362 E CA 2.143 58.431 56.400 -0.186 0.000 0.800 362 E CB -0.208 29.395 29.700 -0.163 0.000 0.746 362 E HN 0.190 nan 8.360 nan 0.000 0.452 363 S N 0.090 115.812 115.700 0.036 0.000 2.562 363 S HA -0.007 4.463 4.470 -0.001 0.000 0.221 363 S C 0.750 175.365 174.600 0.025 0.000 0.975 363 S CA -0.262 57.970 58.200 0.053 0.000 0.918 363 S CB -0.075 63.177 63.200 0.087 0.000 0.772 363 S HN 0.102 nan 8.310 nan 0.000 0.531 364 N N 2.432 121.174 118.700 0.070 0.000 2.434 364 N HA 0.273 5.013 4.740 -0.001 0.000 0.272 364 N C -2.219 173.252 175.510 -0.065 0.000 1.040 364 N CA -1.811 51.258 53.050 0.031 0.000 0.956 364 N CB 1.839 40.438 38.487 0.187 0.000 1.108 364 N HN -0.008 nan 8.380 nan 0.000 0.481 365 P HA -0.023 nan 4.420 nan 0.000 0.217 365 P C 0.877 178.156 177.300 -0.035 0.000 1.151 365 P CA 1.140 64.156 63.100 -0.140 0.000 0.828 365 P CB 0.502 32.070 31.700 -0.220 0.000 0.788 366 K N -0.415 119.982 120.400 -0.005 0.000 2.148 366 K HA -0.002 4.318 4.320 -0.001 0.000 0.204 366 K C 1.996 178.628 176.600 0.055 0.000 1.050 366 K CA 0.996 57.301 56.287 0.030 0.000 0.942 366 K CB -1.032 31.491 32.500 0.038 0.000 0.724 366 K HN 0.121 nan 8.250 nan 0.000 0.446 367 I N 0.268 120.872 120.570 0.056 0.000 2.286 367 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 367 I C 2.082 178.292 176.117 0.155 0.000 1.104 367 I CA 1.107 62.456 61.300 0.082 0.000 1.397 367 I CB -0.198 37.836 38.000 0.058 0.000 1.072 367 I HN 0.229 nan 8.210 nan 0.000 0.417 368 Q N 0.652 120.531 119.800 0.131 0.000 2.096 368 Q HA -0.243 4.097 4.340 -0.001 0.000 0.204 368 Q C 1.799 177.820 176.000 0.035 0.000 0.982 368 Q CA 1.779 57.643 55.803 0.101 0.000 0.850 368 Q CB -0.117 28.661 28.738 0.067 0.000 0.901 368 Q HN 0.464 nan 8.270 nan 0.000 0.422 369 D N 0.064 120.484 120.400 0.032 0.000 2.092 369 D HA -0.170 4.470 4.640 -0.001 0.000 0.193 369 D C 1.525 177.817 176.300 -0.013 0.000 0.994 369 D CA 0.923 54.924 54.000 0.003 0.000 0.828 369 D CB -0.373 40.437 40.800 0.017 0.000 0.963 369 D HN 0.146 nan 8.370 nan 0.000 0.450 370 F N 1.080 120.960 119.950 -0.117 0.000 2.126 370 F HA -0.205 4.322 4.527 -0.001 0.000 0.299 370 F C 2.292 177.923 175.800 -0.280 0.000 1.096 370 F CA 1.161 59.049 58.000 -0.186 0.000 1.255 370 F CB -0.090 38.811 39.000 -0.166 0.000 0.997 370 F HN -0.169 nan 8.300 nan 0.000 0.479 371 M N 0.743 120.281 119.600 -0.103 0.000 2.108 371 M HA -0.217 4.262 4.480 -0.001 0.000 0.261 371 M C 2.300 178.376 176.300 -0.373 0.000 1.066 371 M CA 2.136 57.295 55.300 -0.235 0.000 1.107 371 M CB -1.224 31.298 32.600 -0.130 0.000 1.356 371 M HN 0.304 nan 8.290 nan 0.000 0.406 372 R N -0.159 120.179 120.500 -0.270 0.000 2.153 372 R HA -0.053 4.286 4.340 -0.001 0.000 0.218 372 R C 1.776 177.877 176.300 -0.330 0.000 1.072 372 R CA 0.839 56.788 56.100 -0.253 0.000 0.990 372 R CB -0.604 29.603 30.300 -0.155 0.000 0.889 372 R HN 0.431 nan 8.270 nan 0.000 0.452 373 Q N 0.900 120.453 119.800 -0.413 0.000 2.234 373 Q HA -0.060 4.279 4.340 -0.001 0.000 0.206 373 Q C 0.680 176.362 176.000 -0.529 0.000 0.980 373 Q CA 1.407 56.948 55.803 -0.437 0.000 0.869 373 Q CB 0.151 28.603 28.738 -0.477 0.000 0.912 373 Q HN 0.357 nan 8.270 nan 0.000 0.436 374 K N -1.189 118.751 120.400 -0.766 0.000 2.826 374 K HA 0.180 4.500 4.320 -0.001 0.000 0.206 374 K C -0.141 176.055 176.600 -0.672 0.000 1.116 374 K CA 0.250 56.094 56.287 -0.737 0.000 1.045 374 K CB 1.494 33.464 32.500 -0.884 0.000 0.758 374 K HN 0.226 nan 8.250 nan 0.000 0.465 375 G N 1.395 109.921 108.800 -0.457 0.000 2.273 375 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.280 375 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.280 375 G C 0.258 175.150 174.900 -0.013 0.000 1.047 375 G CA -0.087 44.888 45.100 -0.207 0.000 0.869 375 G HN 0.320 nan 8.290 nan 0.000 0.502 376 F N 0.589 120.404 119.950 -0.225 0.000 2.780 376 F HA 0.339 4.865 4.527 -0.000 0.000 0.299 376 F C 2.226 177.877 175.800 -0.248 0.000 1.146 376 F CA 0.424 58.286 58.000 -0.229 0.000 1.428 376 F CB -0.684 38.154 39.000 -0.269 0.000 1.115 376 F HN 0.840 nan 8.300 nan 0.000 0.583 377 G N 1.111 109.874 108.800 -0.062 0.000 2.565 377 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.295 377 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.295 377 G C 0.893 175.681 174.900 -0.187 0.000 1.165 377 G CA 0.924 45.962 45.100 -0.104 0.000 0.977 377 G HN 0.445 nan 8.290 nan 0.000 0.546 378 T N -2.324 112.120 114.554 -0.182 0.000 3.182 378 T HA 0.448 4.798 4.350 -0.001 0.000 0.277 378 T C 0.048 174.577 174.700 -0.285 0.000 1.013 378 T CA 1.006 62.967 62.100 -0.232 0.000 0.900 378 T CB 0.696 69.536 68.868 -0.046 0.000 1.098 378 T HN 0.561 nan 8.240 nan 0.000 0.543 379 D N 0.848 121.065 120.400 -0.306 0.000 2.456 379 D HA 0.310 4.950 4.640 -0.001 0.000 0.219 379 D C 0.061 176.135 176.300 -0.376 0.000 1.126 379 D CA -1.325 52.536 54.000 -0.233 0.000 0.890 379 D CB -0.117 40.595 40.800 -0.146 0.000 1.025 379 D HN 0.169 nan 8.370 nan 0.000 0.511 380 F N 2.004 121.770 119.950 -0.308 0.000 2.604 380 F HA 0.059 4.585 4.527 -0.001 0.000 0.298 380 F C 2.149 177.595 175.800 -0.591 0.000 1.131 380 F CA 0.481 58.168 58.000 -0.522 0.000 1.457 380 F CB 0.062 38.575 39.000 -0.812 0.000 1.095 380 F HN 0.278 nan 8.300 nan 0.000 0.574 381 K N 0.400 120.639 120.400 -0.270 0.000 2.097 381 K HA -0.187 4.133 4.320 -0.001 0.000 0.206 381 K C 1.925 178.510 176.600 -0.024 0.000 1.049 381 K CA 1.270 57.565 56.287 0.014 0.000 0.933 381 K CB -0.135 32.412 32.500 0.077 0.000 0.717 381 K HN 0.212 nan 8.250 nan 0.000 0.442 382 K N 0.453 120.725 120.400 -0.212 0.000 2.148 382 K HA -0.117 4.202 4.320 -0.001 0.000 0.204 382 K C 1.980 178.294 176.600 -0.476 0.000 1.050 382 K CA 0.733 56.738 56.287 -0.469 0.000 0.942 382 K CB -0.044 31.939 32.500 -0.862 0.000 0.724 382 K HN 0.016 nan 8.250 nan 0.000 0.446 383 L N 1.604 122.715 121.223 -0.187 0.000 2.109 383 L HA -0.102 4.238 4.340 -0.001 0.000 0.207 383 L C 2.172 179.228 176.870 0.310 0.000 1.086 383 L CA 1.691 56.605 54.840 0.124 0.000 0.760 383 L CB -0.275 41.848 42.059 0.107 0.000 0.910 383 L HN 0.149 nan 8.230 nan 0.000 0.437 384 E N -1.061 119.395 120.200 0.426 0.000 2.072 384 E HA -0.189 4.161 4.350 -0.001 0.000 0.191 384 E C 2.049 178.914 176.600 0.442 0.000 0.985 384 E CA 1.352 58.117 56.400 0.609 0.000 0.801 384 E CB 0.026 30.123 29.700 0.661 0.000 0.750 384 E HN 0.547 nan 8.360 nan 0.000 0.452 385 S N 0.351 116.210 115.700 0.265 0.000 2.356 385 S HA -0.160 4.309 4.470 -0.001 0.000 0.223 385 S C 1.525 176.246 174.600 0.201 0.000 1.032 385 S CA 1.204 59.509 58.200 0.175 0.000 1.005 385 S CB -0.494 62.739 63.200 0.054 0.000 0.867 385 S HN 0.406 nan 8.310 nan 0.000 0.449 386 F N 1.294 121.299 119.950 0.091 0.000 2.126 386 F HA -0.214 4.312 4.527 -0.001 0.000 0.299 386 F C 2.120 178.053 175.800 0.221 0.000 1.096 386 F CA 1.638 59.737 58.000 0.165 0.000 1.255 386 F CB -0.571 38.613 39.000 0.307 0.000 0.997 386 F HN 0.273 nan 8.300 nan 0.000 0.479 387 Y N 0.363 120.850 120.300 0.312 0.000 2.114 387 Y HA -0.206 4.343 4.550 -0.001 0.000 0.284 387 Y C 2.253 178.257 175.900 0.173 0.000 1.143 387 Y CA 2.027 60.301 58.100 0.288 0.000 1.135 387 Y CB -0.824 37.872 38.460 0.393 0.000 0.980 387 Y HN 0.137 nan 8.280 nan 0.000 0.499 388 I N 0.615 121.276 120.570 0.151 0.000 2.264 388 I HA -0.357 3.813 4.170 -0.001 0.000 0.248 388 I C 2.408 178.460 176.117 -0.108 0.000 1.111 388 I CA 1.717 63.026 61.300 0.016 0.000 1.382 388 I CB -0.398 37.714 38.000 0.188 0.000 1.060 388 I HN 0.376 nan 8.210 nan 0.000 0.418 389 Q N -0.093 119.648 119.800 -0.099 0.000 2.084 389 Q HA -0.235 4.104 4.340 -0.001 0.000 0.202 389 Q C 2.167 178.036 176.000 -0.219 0.000 0.978 389 Q CA 1.439 57.160 55.803 -0.136 0.000 0.844 389 Q CB -0.123 28.548 28.738 -0.112 0.000 0.898 389 Q HN 0.448 nan 8.270 nan 0.000 0.426 390 K N -0.058 120.135 120.400 -0.346 0.000 2.147 390 K HA -0.102 4.218 4.320 -0.001 0.000 0.205 390 K C 2.037 178.498 176.600 -0.231 0.000 1.049 390 K CA 1.147 57.205 56.287 -0.380 0.000 0.936 390 K CB 0.025 32.114 32.500 -0.685 0.000 0.722 390 K HN 0.085 nan 8.250 nan 0.000 0.446 391 V N 1.789 121.553 119.914 -0.250 0.000 2.407 391 V HA -0.183 3.937 4.120 -0.001 0.000 0.245 391 V C 2.262 178.243 176.094 -0.188 0.000 1.041 391 V CA 1.257 63.442 62.300 -0.191 0.000 1.040 391 V CB -0.399 31.274 31.823 -0.250 0.000 0.671 391 V HN 0.219 nan 8.190 nan 0.000 0.455 392 L N 0.032 121.153 121.223 -0.169 0.000 2.079 392 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 392 L C 2.363 179.161 176.870 -0.120 0.000 1.081 392 L CA 1.630 56.386 54.840 -0.139 0.000 0.752 392 L CB -0.743 41.254 42.059 -0.102 0.000 0.896 392 L HN 0.351 nan 8.230 nan 0.000 0.433 393 D N 0.080 120.411 120.400 -0.116 0.000 2.144 393 D HA -0.141 4.499 4.640 -0.001 0.000 0.200 393 D C 2.279 178.533 176.300 -0.075 0.000 0.978 393 D CA 1.241 55.186 54.000 -0.091 0.000 0.833 393 D CB -0.079 40.659 40.800 -0.103 0.000 0.961 393 D HN 0.332 nan 8.370 nan 0.000 0.470 394 I N 0.869 121.395 120.570 -0.073 0.000 2.226 394 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 394 I C 2.101 178.183 176.117 -0.059 0.000 1.100 394 I CA 0.525 61.807 61.300 -0.029 0.000 1.374 394 I CB -0.035 37.989 38.000 0.040 0.000 1.057 394 I HN -0.024 nan 8.210 nan 0.000 0.413 395 I N 0.974 121.465 120.570 -0.131 0.000 2.252 395 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 395 I C 2.854 178.907 176.117 -0.106 0.000 1.102 395 I CA 1.585 62.793 61.300 -0.153 0.000 1.385 395 I CB -1.788 36.078 38.000 -0.223 0.000 1.064 395 I HN 0.160 nan 8.210 nan 0.000 0.414 396 A N 0.580 123.345 122.820 -0.092 0.000 1.908 396 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 396 A C 2.410 179.963 177.584 -0.053 0.000 1.181 396 A CA 2.449 54.444 52.037 -0.070 0.000 0.627 396 A CB -1.176 17.790 19.000 -0.056 0.000 0.818 396 A HN 0.426 nan 8.150 nan 0.000 0.445 397 T N 0.790 115.319 114.554 -0.042 0.000 2.881 397 T HA -0.073 4.276 4.350 -0.001 0.000 0.270 397 T C 1.506 176.193 174.700 -0.021 0.000 1.068 397 T CA 1.385 63.470 62.100 -0.025 0.000 1.131 397 T CB -0.501 68.358 68.868 -0.014 0.000 0.871 397 T HN 0.725 nan 8.240 nan 0.000 0.479 398 I N -1.464 119.090 120.570 -0.027 0.000 3.810 398 I HA 0.266 4.436 4.170 -0.001 0.000 0.322 398 I C -0.402 175.690 176.117 -0.041 0.000 1.288 398 I CA -0.225 61.061 61.300 -0.023 0.000 1.143 398 I CB -0.396 37.599 38.000 -0.007 0.000 1.012 398 I HN 0.017 nan 8.210 nan 0.000 0.423 399 N N 2.666 121.333 118.700 -0.055 0.000 2.746 399 N HA -0.120 4.620 4.740 -0.001 0.000 0.250 399 N C -0.676 174.770 175.510 -0.108 0.000 1.055 399 N CA 0.917 53.924 53.050 -0.071 0.000 0.699 399 N CB -0.599 37.858 38.487 -0.050 0.000 0.919 399 N HN 0.573 nan 8.380 nan 0.000 0.548 400 K N -0.122 120.196 120.400 -0.137 0.000 2.400 400 K HA 0.664 4.984 4.320 -0.001 0.000 0.246 400 K C 0.705 177.143 176.600 -0.270 0.000 0.995 400 K CA -0.519 55.642 56.287 -0.209 0.000 0.840 400 K CB 1.741 34.145 32.500 -0.160 0.000 1.293 400 K HN 0.146 nan 8.250 nan 0.000 0.445 401 G N 0.112 108.625 108.800 -0.479 0.000 2.451 401 G HA2 0.444 4.403 3.960 -0.001 0.000 0.303 401 G HA3 0.444 4.403 3.960 -0.001 0.000 0.303 401 G C -0.741 174.079 174.900 -0.132 0.000 1.166 401 G CA -0.231 44.593 45.100 -0.460 0.000 0.884 401 G HN 0.317 nan 8.290 nan 0.000 0.514 402 S N -0.649 115.078 115.700 0.044 0.000 2.532 402 S HA 0.648 5.117 4.470 -0.001 0.000 0.301 402 S C -0.380 174.220 174.600 -0.000 0.000 1.083 402 S CA -0.389 57.811 58.200 -0.000 0.000 1.025 402 S CB 1.199 64.344 63.200 -0.092 0.000 1.056 402 S HN 0.430 nan 8.310 nan 0.000 0.494 403 I N 2.045 122.484 120.570 -0.217 0.000 2.569 403 I HA 0.650 4.820 4.170 -0.001 0.000 0.296 403 I C -0.968 174.688 176.117 -0.768 0.000 1.028 403 I CA -0.889 60.092 61.300 -0.532 0.000 1.082 403 I CB 2.032 39.587 38.000 -0.743 0.000 1.264 403 I HN 0.245 nan 8.210 nan 0.000 0.429 404 V N 4.045 123.567 119.914 -0.654 0.000 2.888 404 V HA 0.355 4.475 4.120 -0.001 0.000 0.309 404 V C -1.165 174.831 176.094 -0.163 0.000 1.114 404 V CA -0.546 61.541 62.300 -0.356 0.000 0.940 404 V CB 2.599 34.334 31.823 -0.145 0.000 1.021 404 V HN 0.645 nan 8.190 nan 0.000 0.426 405 W N 3.036 124.493 121.300 0.260 0.000 2.150 405 W HA 0.216 4.875 4.660 -0.002 0.000 0.341 405 W C 1.761 178.459 176.519 0.299 0.000 1.276 405 W CA 0.155 57.718 57.345 0.364 0.000 1.238 405 W CB 0.517 30.220 29.460 0.404 0.000 1.128 405 W HN 0.777 nan 8.180 nan 0.000 0.581 406 Q N 0.180 120.339 119.800 0.600 0.000 2.248 406 Q HA -0.286 4.053 4.340 -0.001 0.000 0.208 406 Q C 1.185 177.390 176.000 0.341 0.000 0.984 406 Q CA 2.084 58.094 55.803 0.345 0.000 0.875 406 Q CB -0.293 28.564 28.738 0.198 0.000 0.910 406 Q HN 0.636 nan 8.270 nan 0.000 0.433 407 E N 0.908 121.335 120.200 0.380 0.000 2.130 407 E HA -0.168 4.182 4.350 -0.001 0.000 0.196 407 E C 2.068 178.824 176.600 0.261 0.000 0.998 407 E CA 1.728 58.303 56.400 0.292 0.000 0.806 407 E CB -0.144 29.743 29.700 0.311 0.000 0.738 407 E HN 0.224 nan 8.360 nan 0.000 0.459 408 V N 0.513 120.597 119.914 0.283 0.000 2.332 408 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 408 V C 1.933 178.129 176.094 0.169 0.000 1.055 408 V CA 1.965 64.396 62.300 0.218 0.000 1.038 408 V CB -0.471 31.467 31.823 0.192 0.000 0.651 408 V HN 0.287 nan 8.190 nan 0.000 0.450 409 F N 1.281 121.253 119.950 0.037 0.000 2.163 409 F HA -0.119 4.408 4.527 -0.001 0.000 0.297 409 F C 2.182 178.007 175.800 0.041 0.000 1.094 409 F CA 1.769 59.764 58.000 -0.008 0.000 1.290 409 F CB -0.262 38.714 39.000 -0.040 0.000 1.017 409 F HN 0.196 nan 8.300 nan 0.000 0.483 410 D N 0.105 120.591 120.400 0.144 0.000 2.219 410 D HA -0.134 4.505 4.640 -0.001 0.000 0.205 410 D C 1.045 177.340 176.300 -0.008 0.000 0.970 410 D CA 1.171 55.198 54.000 0.044 0.000 0.851 410 D CB -0.425 40.450 40.800 0.125 0.000 0.943 410 D HN 0.377 nan 8.370 nan 0.000 0.488 411 D N 0.382 120.808 120.400 0.043 0.000 2.336 411 D HA 0.052 4.691 4.640 -0.001 0.000 0.228 411 D C 0.202 176.503 176.300 0.001 0.000 1.120 411 D CA -0.026 54.013 54.000 0.064 0.000 0.839 411 D CB 0.075 40.976 40.800 0.169 0.000 0.932 411 D HN 0.170 nan 8.370 nan 0.000 0.509 412 K N -0.679 119.665 120.400 -0.093 0.000 3.192 412 K HA -0.167 4.153 4.320 -0.001 0.000 0.278 412 K C 0.054 176.612 176.600 -0.069 0.000 1.164 412 K CA 0.448 56.660 56.287 -0.125 0.000 0.816 412 K CB -1.814 30.630 32.500 -0.093 0.000 1.256 412 K HN 0.256 nan 8.250 nan 0.000 0.497 413 A N 1.422 124.219 122.820 -0.039 0.000 2.351 413 A HA 0.273 4.592 4.320 -0.001 0.000 0.257 413 A C 0.142 177.717 177.584 -0.015 0.000 1.087 413 A CA -0.118 51.916 52.037 -0.004 0.000 0.798 413 A CB 0.365 19.385 19.000 0.034 0.000 1.033 413 A HN 0.254 nan 8.150 nan 0.000 0.488 414 K N 1.690 122.094 120.400 0.007 0.000 2.284 414 K HA 0.424 4.743 4.320 -0.001 0.000 0.287 414 K C -1.079 175.538 176.600 0.029 0.000 1.081 414 K CA 0.253 56.561 56.287 0.036 0.000 0.910 414 K CB 0.519 33.043 32.500 0.040 0.000 1.088 414 K HN 0.550 nan 8.250 nan 0.000 0.478 415 L N 2.494 123.745 121.223 0.047 0.000 2.317 415 L HA 0.486 4.826 4.340 -0.001 0.000 0.281 415 L C 0.353 177.333 176.870 0.183 0.000 1.024 415 L CA -0.994 53.839 54.840 -0.011 0.000 0.810 415 L CB 1.642 43.473 42.059 -0.379 0.000 1.240 415 L HN 0.610 nan 8.230 nan 0.000 0.427 416 A N 3.875 126.774 122.820 0.131 0.000 2.351 416 A HA 0.564 4.884 4.320 -0.001 0.000 0.257 416 A C -2.322 175.436 177.584 0.290 0.000 1.087 416 A CA -1.228 50.909 52.037 0.166 0.000 0.798 416 A CB -0.332 18.714 19.000 0.077 0.000 1.033 416 A HN 0.452 nan 8.150 nan 0.000 0.488 417 P HA 0.281 nan 4.420 nan 0.000 0.265 417 P C 1.007 178.418 177.300 0.186 0.000 1.193 417 P CA 1.769 64.987 63.100 0.197 0.000 0.765 417 P CB 0.685 32.426 31.700 0.068 0.000 0.823 418 G N 1.428 110.360 108.800 0.220 0.000 2.232 418 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.226 418 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.226 418 G C 0.276 175.307 174.900 0.218 0.000 0.996 418 G CA -0.056 45.159 45.100 0.192 0.000 0.626 418 G HN 0.600 nan 8.290 nan 0.000 0.509 419 T N 2.151 116.831 114.554 0.209 0.000 2.829 419 T HA 0.455 4.804 4.350 -0.001 0.000 0.293 419 T C 0.825 175.528 174.700 0.006 0.000 0.970 419 T CA 0.361 62.503 62.100 0.070 0.000 1.168 419 T CB 0.846 69.671 68.868 -0.071 0.000 0.911 419 T HN 0.353 nan 8.240 nan 0.000 0.535 420 I N 3.533 124.053 120.570 -0.083 0.000 2.395 420 I HA 0.258 4.427 4.170 -0.001 0.000 0.289 420 I C 0.063 176.020 176.117 -0.266 0.000 1.023 420 I CA -0.668 60.509 61.300 -0.205 0.000 1.350 420 I CB 1.107 38.880 38.000 -0.378 0.000 1.409 420 I HN 0.258 nan 8.210 nan 0.000 0.507 421 V N 5.934 125.700 119.914 -0.246 0.000 2.398 421 V HA 0.239 4.358 4.120 -0.001 0.000 0.286 421 V C 0.038 176.017 176.094 -0.191 0.000 1.026 421 V CA -0.632 61.535 62.300 -0.222 0.000 0.868 421 V CB 1.491 33.155 31.823 -0.265 0.000 0.982 421 V HN 0.704 nan 8.190 nan 0.000 0.443 422 E N 3.752 123.897 120.200 -0.091 0.000 2.109 422 E HA 0.426 4.775 4.350 -0.001 0.000 0.278 422 E C -1.113 175.674 176.600 0.312 0.000 0.954 422 E CA -0.486 55.940 56.400 0.045 0.000 0.779 422 E CB 1.572 31.277 29.700 0.009 0.000 1.093 422 E HN 0.516 nan 8.360 nan 0.000 0.401 423 V N 7.673 127.685 119.914 0.163 0.000 2.389 423 V HA 0.066 4.186 4.120 -0.001 0.000 0.264 423 V C 0.586 176.825 176.094 0.242 0.000 1.049 423 V CA -0.150 62.233 62.300 0.139 0.000 0.932 423 V CB 0.123 31.931 31.823 -0.026 0.000 1.011 423 V HN 0.828 nan 8.190 nan 0.000 0.475 424 W N 3.785 125.178 121.300 0.154 0.000 2.865 424 W HA 0.343 5.002 4.660 -0.001 0.000 0.300 424 W C 0.145 176.567 176.519 -0.163 0.000 1.096 424 W CA -0.682 56.701 57.345 0.063 0.000 1.524 424 W CB 0.207 29.776 29.460 0.182 0.000 0.991 424 W HN 0.311 nan 8.180 nan 0.000 0.571 425 K N 2.604 122.459 120.400 -0.909 0.000 2.379 425 K HA -0.005 4.315 4.320 -0.001 0.000 0.284 425 K C 0.250 176.627 176.600 -0.372 0.000 1.044 425 K CA 0.122 55.868 56.287 -0.901 0.000 0.974 425 K CB 1.359 33.313 32.500 -0.909 0.000 0.962 425 K HN -0.256 nan 8.250 nan 0.000 0.474 426 D N 1.100 121.330 120.400 -0.283 0.000 2.347 426 D HA -0.048 4.592 4.640 -0.001 0.000 0.215 426 D C -0.370 175.932 176.300 0.003 0.000 0.976 426 D CA 0.655 54.608 54.000 -0.078 0.000 0.884 426 D CB 0.382 41.128 40.800 -0.089 0.000 0.915 426 D HN 0.269 nan 8.370 nan 0.000 0.526 427 S N -0.023 115.626 115.700 -0.085 0.000 2.439 427 S HA 0.493 4.963 4.470 -0.001 0.000 0.282 427 S C 0.514 175.071 174.600 -0.072 0.000 1.170 427 S CA -0.037 58.119 58.200 -0.074 0.000 1.054 427 S CB 1.239 64.384 63.200 -0.092 0.000 0.956 427 S HN 0.353 nan 8.310 nan 0.000 0.490 428 A N 2.117 124.883 122.820 -0.090 0.000 2.783 428 A HA -0.247 4.072 4.320 -0.001 0.000 0.292 428 A C 0.857 178.380 177.584 -0.101 0.000 1.495 428 A CA 1.436 53.405 52.037 -0.113 0.000 0.787 428 A CB -2.599 16.358 19.000 -0.071 0.000 1.017 428 A HN 1.261 nan 8.150 nan 0.000 0.516 429 Y N -1.888 118.351 120.300 -0.101 0.000 2.224 429 Y HA 0.052 4.602 4.550 -0.001 0.000 0.289 429 Y C -0.420 175.418 175.900 -0.104 0.000 1.146 429 Y CA 1.189 59.218 58.100 -0.119 0.000 1.182 429 Y CB -1.853 36.523 38.460 -0.140 0.000 0.983 429 Y HN 0.389 nan 8.280 nan 0.000 0.524 430 P HA -0.149 nan 4.420 nan 0.000 0.215 430 P C 1.562 178.837 177.300 -0.042 0.000 1.153 430 P CA 2.053 65.073 63.100 -0.133 0.000 0.853 430 P CB 0.004 31.592 31.700 -0.187 0.000 0.788 431 E N -0.519 119.651 120.200 -0.051 0.000 2.153 431 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 431 E C 1.923 178.521 176.600 -0.003 0.000 0.988 431 E CA 0.888 57.287 56.400 -0.002 0.000 0.811 431 E CB -0.292 29.404 29.700 -0.006 0.000 0.746 431 E HN 0.265 nan 8.360 nan 0.000 0.466 432 E N 0.576 120.761 120.200 -0.024 0.000 2.072 432 E HA -0.112 4.238 4.350 -0.001 0.000 0.191 432 E C 2.366 178.898 176.600 -0.114 0.000 0.985 432 E CA 0.418 56.803 56.400 -0.025 0.000 0.801 432 E CB -0.201 29.487 29.700 -0.021 0.000 0.750 432 E HN 0.293 nan 8.360 nan 0.000 0.452 433 L N 0.596 121.689 121.223 -0.216 0.000 2.042 433 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 433 L C 2.533 179.151 176.870 -0.420 0.000 1.076 433 L CA 1.068 55.610 54.840 -0.497 0.000 0.749 433 L CB -0.415 41.035 42.059 -1.014 0.000 0.893 433 L HN 0.011 nan 8.230 nan 0.000 0.432 434 S N -0.432 115.178 115.700 -0.150 0.000 2.348 434 S HA -0.172 4.298 4.470 -0.001 0.000 0.221 434 S C 2.058 176.712 174.600 0.089 0.000 1.033 434 S CA 1.169 59.445 58.200 0.127 0.000 1.010 434 S CB -0.260 63.053 63.200 0.188 0.000 0.891 434 S HN 0.340 nan 8.310 nan 0.000 0.442 435 R N 0.405 120.952 120.500 0.078 0.000 2.083 435 R HA -0.088 4.251 4.340 -0.001 0.000 0.237 435 R C 2.269 178.656 176.300 0.145 0.000 1.137 435 R CA 1.466 57.666 56.100 0.168 0.000 0.951 435 R CB -0.735 29.723 30.300 0.262 0.000 0.851 435 R HN 0.263 nan 8.270 nan 0.000 0.434 436 V N 0.683 120.510 119.914 -0.144 0.000 2.307 436 V HA -0.244 3.876 4.120 -0.001 0.000 0.245 436 V C 2.567 178.606 176.094 -0.092 0.000 1.045 436 V CA 2.333 64.369 62.300 -0.440 0.000 1.024 436 V CB -0.735 30.749 31.823 -0.566 0.000 0.651 436 V HN 0.588 nan 8.190 nan 0.000 0.449 437 T N -1.128 113.406 114.554 -0.033 0.000 2.857 437 T HA -0.058 4.292 4.350 -0.001 0.000 0.266 437 T C 1.933 176.674 174.700 0.067 0.000 1.048 437 T CA 1.267 63.398 62.100 0.051 0.000 1.139 437 T CB -0.436 68.528 68.868 0.159 0.000 0.874 437 T HN 0.438 nan 8.240 nan 0.000 0.455 438 A N 1.696 124.572 122.820 0.093 0.000 1.972 438 A HA 0.020 4.339 4.320 -0.001 0.000 0.219 438 A C 2.540 180.164 177.584 0.067 0.000 1.169 438 A CA 1.673 53.763 52.037 0.089 0.000 0.635 438 A CB -0.931 18.135 19.000 0.110 0.000 0.810 438 A HN 0.522 nan 8.150 nan 0.000 0.446 439 S N -1.648 114.118 115.700 0.111 0.000 2.607 439 S HA 0.319 4.788 4.470 -0.001 0.000 0.224 439 S C 1.457 175.906 174.600 -0.251 0.000 0.969 439 S CA 0.939 59.189 58.200 0.084 0.000 0.927 439 S CB -0.057 63.414 63.200 0.452 0.000 0.772 439 S HN 1.575 nan 8.310 nan 0.000 0.533 440 G N 0.685 109.348 108.800 -0.227 0.000 2.175 440 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.244 440 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.244 440 G C -0.060 174.608 174.900 -0.388 0.000 0.982 440 G CA -0.447 44.455 45.100 -0.330 0.000 0.641 440 G HN 0.419 nan 8.290 nan 0.000 0.527 441 F N 2.151 122.096 119.950 -0.008 0.000 2.396 441 F HA 0.536 5.063 4.527 -0.001 0.000 0.343 441 F C -1.534 174.217 175.800 -0.083 0.000 1.104 441 F CA -2.631 55.339 58.000 -0.049 0.000 1.161 441 F CB 0.847 39.793 39.000 -0.090 0.000 1.146 441 F HN -0.170 nan 8.300 nan 0.000 0.522 442 P HA 0.111 nan 4.420 nan 0.000 0.268 442 P C -0.804 176.434 177.300 -0.104 0.000 1.205 442 P CA 0.020 63.117 63.100 -0.005 0.000 0.771 442 P CB 1.153 32.839 31.700 -0.023 0.000 0.858 443 V N 4.574 124.370 119.914 -0.197 0.000 2.876 443 V HA 0.550 4.670 4.120 -0.001 0.000 0.312 443 V C -0.840 174.922 176.094 -0.554 0.000 1.085 443 V CA -0.955 61.151 62.300 -0.324 0.000 0.945 443 V CB 1.767 33.420 31.823 -0.283 0.000 1.017 443 V HN 0.318 nan 8.190 nan 0.000 0.428 444 I N 5.733 125.994 120.570 -0.515 0.000 2.465 444 I HA 0.446 4.615 4.170 -0.001 0.000 0.291 444 I C -1.096 174.809 176.117 -0.353 0.000 1.014 444 I CA -0.795 60.167 61.300 -0.565 0.000 1.093 444 I CB 1.957 39.644 38.000 -0.522 0.000 1.267 444 I HN 0.459 nan 8.210 nan 0.000 0.431 445 L N 5.947 126.992 121.223 -0.297 0.000 2.282 445 L HA 0.417 4.757 4.340 -0.001 0.000 0.288 445 L C 0.731 177.700 176.870 0.166 0.000 1.033 445 L CA 0.621 55.430 54.840 -0.053 0.000 0.807 445 L CB 1.502 43.582 42.059 0.035 0.000 1.209 445 L HN 0.719 nan 8.230 nan 0.000 0.423 446 S N 2.766 118.583 115.700 0.194 0.000 2.628 446 S HA 0.221 4.690 4.470 -0.001 0.000 0.246 446 S C 1.648 176.399 174.600 0.251 0.000 1.062 446 S CA 0.244 58.677 58.200 0.389 0.000 1.028 446 S CB -0.121 63.433 63.200 0.590 0.000 0.985 446 S HN 0.717 nan 8.310 nan 0.000 0.551 447 A N 3.598 126.381 122.820 -0.062 0.000 1.894 447 A HA -0.062 4.258 4.320 -0.001 0.000 0.220 447 A C -0.185 177.196 177.584 -0.339 0.000 1.237 447 A CA 2.311 54.168 52.037 -0.299 0.000 0.660 447 A CB -2.031 16.665 19.000 -0.507 0.000 0.835 447 A HN 0.620 nan 8.150 nan 0.000 0.461 448 P HA 0.017 nan 4.420 nan 0.000 0.249 448 P C -0.281 176.962 177.300 -0.096 0.000 1.229 448 P CA 0.385 63.260 63.100 -0.374 0.000 0.788 448 P CB 0.070 31.385 31.700 -0.642 0.000 1.072 449 W N -0.337 121.041 121.300 0.131 0.000 1.639 449 W HA 0.301 4.960 4.660 -0.003 0.000 0.307 449 W C -0.685 175.888 176.519 0.090 0.000 0.809 449 W CA -0.842 56.492 57.345 -0.018 0.000 2.583 449 W CB -0.541 28.906 29.460 -0.021 0.000 2.213 449 W HN -0.094 nan 8.180 nan 0.000 0.549 450 Y N 1.637 122.018 120.300 0.134 0.000 2.650 450 Y HA 0.175 4.724 4.550 -0.001 0.000 0.343 450 Y C 1.458 177.416 175.900 0.096 0.000 1.078 450 Y CA -0.320 57.866 58.100 0.143 0.000 1.356 450 Y CB 0.156 38.748 38.460 0.221 0.000 1.204 450 Y HN -0.022 nan 8.280 nan 0.000 0.508 451 L N 1.634 122.857 121.223 0.001 0.000 2.465 451 L HA -0.124 4.216 4.340 -0.001 0.000 0.224 451 L C 1.816 178.726 176.870 0.068 0.000 1.145 451 L CA 0.791 55.627 54.840 -0.007 0.000 0.834 451 L CB -0.174 41.785 42.059 -0.166 0.000 0.944 451 L HN 0.544 nan 8.230 nan 0.000 0.451 452 D N 1.144 121.587 120.400 0.072 0.000 2.219 452 D HA -0.176 4.464 4.640 -0.001 0.000 0.205 452 D C 1.142 177.563 176.300 0.202 0.000 0.970 452 D CA 0.655 54.740 54.000 0.143 0.000 0.851 452 D CB -0.263 40.651 40.800 0.189 0.000 0.943 452 D HN 0.308 nan 8.370 nan 0.000 0.488 453 L N 2.507 123.881 121.223 0.252 0.000 2.415 453 L HA 0.238 4.577 4.340 -0.001 0.000 0.269 453 L C 0.686 177.687 176.870 0.219 0.000 1.244 453 L CA -0.597 54.385 54.840 0.237 0.000 1.113 453 L CB -0.481 41.743 42.059 0.275 0.000 1.352 453 L HN 0.073 nan 8.230 nan 0.000 0.433 454 I N -0.170 120.499 120.570 0.165 0.000 2.882 454 I HA 0.536 4.705 4.170 -0.001 0.000 0.286 454 I C 0.534 176.729 176.117 0.130 0.000 1.139 454 I CA 0.045 61.437 61.300 0.152 0.000 1.379 454 I CB 1.242 39.312 38.000 0.117 0.000 1.410 454 I HN 0.507 nan 8.210 nan 0.000 0.594 455 S N 3.070 118.848 115.700 0.130 0.000 2.625 455 S HA 0.394 4.863 4.470 -0.001 0.000 0.271 455 S C -0.980 173.709 174.600 0.149 0.000 1.161 455 S CA -0.866 57.410 58.200 0.126 0.000 0.820 455 S CB 0.962 64.224 63.200 0.103 0.000 1.137 455 S HN 0.741 nan 8.310 nan 0.000 0.470 456 Y N 1.871 122.197 120.300 0.044 0.000 2.425 456 Y HA 0.497 5.046 4.550 -0.001 0.000 0.331 456 Y C 0.916 176.847 175.900 0.051 0.000 1.157 456 Y CA 1.851 59.980 58.100 0.050 0.000 1.372 456 Y CB 0.016 38.500 38.460 0.040 0.000 1.253 456 Y HN 1.654 nan 8.280 nan 0.000 0.536 457 G N 4.456 112.862 108.800 -0.656 0.000 2.548 457 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.208 457 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.208 457 G C -0.933 173.868 174.900 -0.165 0.000 1.308 457 G CA -0.493 44.299 45.100 -0.514 0.000 0.924 457 G HN 0.720 nan 8.290 nan 0.000 0.540 458 Q N 1.344 121.076 119.800 -0.114 0.000 3.184 458 Q HA 0.163 4.502 4.340 -0.001 0.000 0.288 458 Q C 1.018 176.889 176.000 -0.214 0.000 1.412 458 Q CA 0.386 56.170 55.803 -0.032 0.000 0.991 458 Q CB 0.158 28.866 28.738 -0.050 0.000 1.688 458 Q HN 0.642 nan 8.270 nan 0.000 0.554 459 D N 0.758 121.088 120.400 -0.116 0.000 2.348 459 D HA -0.199 4.441 4.640 -0.001 0.000 0.216 459 D C 1.521 177.593 176.300 -0.380 0.000 0.970 459 D CA 0.259 54.096 54.000 -0.272 0.000 0.889 459 D CB -0.336 40.341 40.800 -0.204 0.000 0.912 459 D HN 0.680 nan 8.370 nan 0.000 0.524 460 W N 2.104 123.360 121.300 -0.073 0.000 2.331 460 W HA -0.149 4.511 4.660 -0.000 0.000 0.291 460 W C 1.528 178.128 176.519 0.135 0.000 1.214 460 W CA 0.518 57.929 57.345 0.110 0.000 1.228 460 W CB -0.895 28.653 29.460 0.147 0.000 1.135 460 W HN -0.049 nan 8.180 nan 0.000 0.537 461 R N 1.620 121.533 120.500 -0.979 0.000 2.081 461 R HA -0.191 4.149 4.340 -0.001 0.000 0.235 461 R C 2.467 178.632 176.300 -0.224 0.000 1.131 461 R CA 2.561 58.141 56.100 -0.867 0.000 0.960 461 R CB -0.639 29.115 30.300 -0.910 0.000 0.856 461 R HN 0.335 nan 8.270 nan 0.000 0.436 462 K N -0.021 120.237 120.400 -0.238 0.000 2.097 462 K HA -0.155 4.165 4.320 -0.001 0.000 0.205 462 K C 1.509 178.216 176.600 0.179 0.000 1.050 462 K CA 1.459 57.699 56.287 -0.078 0.000 0.938 462 K CB -0.286 32.125 32.500 -0.149 0.000 0.718 462 K HN 0.117 nan 8.250 nan 0.000 0.442 463 Y N 0.016 120.529 120.300 0.355 0.000 2.242 463 Y HA -0.140 4.410 4.550 -0.001 0.000 0.291 463 Y C 2.373 178.658 175.900 0.642 0.000 1.137 463 Y CA 0.487 58.952 58.100 0.608 0.000 1.181 463 Y CB -1.085 37.705 38.460 0.551 0.000 0.989 463 Y HN 0.134 nan 8.280 nan 0.000 0.527 464 Y N 1.073 121.683 120.300 0.516 0.000 2.163 464 Y HA -0.143 4.405 4.550 -0.003 0.000 0.288 464 Y C 2.102 178.207 175.900 0.343 0.000 1.136 464 Y CA 1.561 59.931 58.100 0.449 0.000 1.147 464 Y CB -0.245 38.496 38.460 0.469 0.000 0.987 464 Y HN -0.041 nan 8.280 nan 0.000 0.509 465 K N -0.126 120.461 120.400 0.312 0.000 2.362 465 K HA -0.015 4.304 4.320 -0.001 0.000 0.200 465 K C 0.287 176.986 176.600 0.165 0.000 1.046 465 K CA 0.341 56.732 56.287 0.173 0.000 0.952 465 K CB -0.190 32.387 32.500 0.129 0.000 0.753 465 K HN 0.005 nan 8.250 nan 0.000 0.466 466 V N 2.671 122.746 119.914 0.268 0.000 2.617 466 V HA -0.081 4.039 4.120 -0.001 0.000 0.304 466 V C 0.240 176.464 176.094 0.217 0.000 1.040 466 V CA 0.314 62.760 62.300 0.244 0.000 1.149 466 V CB 0.677 32.667 31.823 0.279 0.000 0.914 466 V HN 0.179 nan 8.190 nan 0.000 0.487 467 E N 8.504 128.789 120.200 0.141 0.000 2.101 467 E HA 0.386 4.735 4.350 -0.001 0.000 0.260 467 E C -1.982 174.674 176.600 0.093 0.000 0.897 467 E CA -2.660 53.804 56.400 0.108 0.000 0.744 467 E CB 1.668 31.400 29.700 0.054 0.000 1.140 467 E HN 0.309 nan 8.360 nan 0.000 0.419 468 P HA -0.081 nan 4.420 nan 0.000 0.220 468 P C 0.657 177.871 177.300 -0.144 0.000 1.148 468 P CA 0.922 63.982 63.100 -0.066 0.000 0.803 468 P CB 0.238 31.772 31.700 -0.276 0.000 0.782 469 L N -0.642 120.497 121.223 -0.140 0.000 2.645 469 L HA 0.107 4.447 4.340 -0.001 0.000 0.234 469 L C 0.079 176.824 176.870 -0.208 0.000 1.165 469 L CA 0.185 54.912 54.840 -0.187 0.000 0.944 469 L CB -0.514 41.426 42.059 -0.197 0.000 1.149 469 L HN -0.174 nan 8.230 nan 0.000 0.446 470 D N 1.689 122.074 120.400 -0.025 0.000 2.619 470 D HA 0.257 4.896 4.640 -0.001 0.000 0.224 470 D C -0.232 176.115 176.300 0.078 0.000 1.133 470 D CA 0.207 54.189 54.000 -0.030 0.000 1.017 470 D CB -0.100 40.698 40.800 -0.004 0.000 1.077 470 D HN 0.101 nan 8.370 nan 0.000 0.503 471 F N -2.062 117.864 119.950 -0.041 0.000 2.650 471 F HA 0.727 5.255 4.527 0.001 0.000 0.320 471 F C 0.398 176.187 175.800 -0.017 0.000 1.091 471 F CA -1.718 56.263 58.000 -0.031 0.000 0.962 471 F CB 0.687 39.688 39.000 0.002 0.000 1.363 471 F HN -0.060 nan 8.300 nan 0.000 0.482 472 G N -0.076 108.826 108.800 0.170 0.000 2.355 472 G HA2 0.540 4.500 3.960 -0.001 0.000 0.276 472 G HA3 0.540 4.500 3.960 -0.001 0.000 0.276 472 G C -0.366 174.593 174.900 0.097 0.000 1.198 472 G CA -0.095 45.041 45.100 0.060 0.000 0.876 472 G HN 1.464 nan 8.290 nan 0.000 0.478 473 G N 0.686 109.467 108.800 -0.031 0.000 2.340 473 G HA2 0.580 4.540 3.960 -0.001 0.000 0.298 473 G HA3 0.580 4.540 3.960 -0.001 0.000 0.298 473 G C -0.183 174.688 174.900 -0.049 0.000 1.498 473 G CA 0.015 45.122 45.100 0.012 0.000 0.847 473 G HN 1.110 nan 8.290 nan 0.000 0.594 474 T N -1.468 113.084 114.554 -0.003 0.000 2.726 474 T HA 0.304 4.654 4.350 -0.001 0.000 0.294 474 T C 1.388 176.074 174.700 -0.024 0.000 1.013 474 T CA 0.378 62.469 62.100 -0.014 0.000 0.996 474 T CB 1.173 70.046 68.868 0.008 0.000 1.016 474 T HN 0.578 nan 8.240 nan 0.000 0.529 475 Q N -0.176 119.611 119.800 -0.022 0.000 2.124 475 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 475 Q C 2.370 178.380 176.000 0.017 0.000 0.977 475 Q CA 1.468 57.261 55.803 -0.017 0.000 0.850 475 Q CB -0.212 28.516 28.738 -0.017 0.000 0.901 475 Q HN 0.753 nan 8.270 nan 0.000 0.429 476 K N 0.976 121.391 120.400 0.024 0.000 2.063 476 K HA -0.219 4.100 4.320 -0.001 0.000 0.208 476 K C 1.994 178.637 176.600 0.071 0.000 1.048 476 K CA 1.441 57.751 56.287 0.039 0.000 0.928 476 K CB 0.108 32.624 32.500 0.027 0.000 0.713 476 K HN 0.202 nan 8.250 nan 0.000 0.442 477 Q N 0.152 120.005 119.800 0.087 0.000 2.119 477 Q HA -0.131 4.209 4.340 -0.001 0.000 0.201 477 Q C 1.888 178.035 176.000 0.244 0.000 0.972 477 Q CA 1.498 57.398 55.803 0.162 0.000 0.847 477 Q CB 0.079 28.936 28.738 0.198 0.000 0.903 477 Q HN 0.265 nan 8.270 nan 0.000 0.433 478 K N 0.503 120.996 120.400 0.155 0.000 2.211 478 K HA -0.135 4.185 4.320 -0.001 0.000 0.203 478 K C 1.932 178.671 176.600 0.232 0.000 1.050 478 K CA 0.860 57.252 56.287 0.174 0.000 0.945 478 K CB 0.044 32.517 32.500 -0.045 0.000 0.732 478 K HN 0.269 nan 8.250 nan 0.000 0.451 479 Q N 0.562 120.458 119.800 0.159 0.000 2.291 479 Q HA -0.023 4.316 4.340 -0.001 0.000 0.205 479 Q C 1.771 177.878 176.000 0.177 0.000 0.970 479 Q CA 0.700 56.593 55.803 0.151 0.000 0.876 479 Q CB 0.036 28.826 28.738 0.088 0.000 0.935 479 Q HN 0.295 nan 8.270 nan 0.000 0.455 480 L N -0.420 120.915 121.223 0.185 0.000 2.478 480 L HA 0.014 4.353 4.340 -0.001 0.000 0.223 480 L C 0.534 177.507 176.870 0.172 0.000 1.140 480 L CA -0.220 54.708 54.840 0.147 0.000 0.842 480 L CB 0.014 42.136 42.059 0.105 0.000 0.953 480 L HN 0.153 nan 8.230 nan 0.000 0.452 481 F N 1.879 121.920 119.950 0.152 0.000 2.462 481 F HA 0.123 4.651 4.527 0.002 0.000 0.360 481 F C 1.229 177.116 175.800 0.144 0.000 1.134 481 F CA -0.612 57.464 58.000 0.127 0.000 1.148 481 F CB 0.361 39.505 39.000 0.241 0.000 1.147 481 F HN -0.029 nan 8.300 nan 0.000 0.550 482 I N 2.611 123.142 120.570 -0.065 0.000 3.860 482 I HA 0.583 4.752 4.170 -0.001 0.000 0.319 482 I C 0.903 177.064 176.117 0.073 0.000 1.279 482 I CA 0.493 61.842 61.300 0.082 0.000 1.220 482 I CB -0.379 37.614 38.000 -0.012 0.000 1.027 482 I HN 0.621 nan 8.210 nan 0.000 0.428 483 G N 0.288 108.895 108.800 -0.322 0.000 2.373 483 G HA2 0.444 4.403 3.960 -0.001 0.000 0.250 483 G HA3 0.444 4.403 3.960 -0.001 0.000 0.250 483 G C -0.957 173.790 174.900 -0.255 0.000 1.304 483 G CA -0.261 44.725 45.100 -0.191 0.000 0.948 483 G HN 0.581 nan 8.290 nan 0.000 0.474 484 G N -1.197 107.654 108.800 0.084 0.000 2.608 484 G HA2 0.680 4.639 3.960 -0.001 0.000 0.291 484 G HA3 0.680 4.639 3.960 -0.001 0.000 0.291 484 G C -1.827 173.275 174.900 0.337 0.000 1.425 484 G CA -0.298 44.952 45.100 0.250 0.000 0.787 484 G HN 0.666 nan 8.290 nan 0.000 0.484 485 E N -0.837 119.588 120.200 0.376 0.000 2.314 485 E HA 0.572 4.922 4.350 -0.001 0.000 0.272 485 E C -0.652 176.110 176.600 0.270 0.000 0.884 485 E CA -1.000 55.583 56.400 0.305 0.000 0.753 485 E CB 2.670 32.541 29.700 0.285 0.000 1.213 485 E HN 0.723 nan 8.360 nan 0.000 0.432 486 A N 1.828 124.691 122.820 0.072 0.000 2.260 486 A HA 0.455 4.775 4.320 -0.001 0.000 0.308 486 A C -0.483 176.975 177.584 -0.209 0.000 1.254 486 A CA -0.467 51.534 52.037 -0.060 0.000 0.874 486 A CB 0.202 19.064 19.000 -0.231 0.000 1.153 486 A HN 0.669 nan 8.150 nan 0.000 0.527 487 C N 2.774 121.923 119.300 -0.253 0.000 2.303 487 C HA 0.534 4.993 4.460 -0.001 0.000 0.326 487 C C 0.071 174.696 174.990 -0.609 0.000 1.285 487 C CA -0.278 58.389 59.018 -0.584 0.000 1.675 487 C CB 0.345 27.573 27.740 -0.853 0.000 2.289 487 C HN 0.790 nan 8.230 nan 0.000 0.512 488 L N 4.579 125.411 121.223 -0.652 0.000 2.506 488 L HA 0.456 4.796 4.340 -0.001 0.000 0.247 488 L C -0.608 176.000 176.870 -0.437 0.000 1.141 488 L CA -0.201 54.376 54.840 -0.438 0.000 0.973 488 L CB -0.258 41.595 42.059 -0.343 0.000 1.319 488 L HN 0.761 nan 8.230 nan 0.000 0.455 489 W N 2.123 123.247 121.300 -0.293 0.000 2.148 489 W HA 0.361 5.020 4.660 -0.002 0.000 0.347 489 W C 1.524 177.961 176.519 -0.136 0.000 1.288 489 W CA 0.180 57.364 57.345 -0.268 0.000 1.252 489 W CB 0.699 29.968 29.460 -0.318 0.000 1.156 489 W HN 0.606 nan 8.180 nan 0.000 0.580 490 G N 0.721 109.610 108.800 0.148 0.000 3.189 490 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.225 490 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.225 490 G C 0.952 175.848 174.900 -0.007 0.000 1.159 490 G CA -0.123 45.035 45.100 0.096 0.000 0.763 490 G HN 0.485 nan 8.290 nan 0.000 0.549 491 E N 0.122 120.245 120.200 -0.128 0.000 2.118 491 E HA -0.132 4.217 4.350 -0.001 0.000 0.195 491 E C 0.643 176.921 176.600 -0.537 0.000 0.992 491 E CA 1.234 57.349 56.400 -0.475 0.000 0.804 491 E CB -0.161 29.096 29.700 -0.739 0.000 0.741 491 E HN 0.643 nan 8.360 nan 0.000 0.458 492 Y N -1.421 118.986 120.300 0.178 0.000 2.660 492 Y HA 0.345 4.894 4.550 -0.001 0.000 0.254 492 Y C -0.453 175.556 175.900 0.182 0.000 1.176 492 Y CA -0.433 57.783 58.100 0.194 0.000 1.195 492 Y CB 0.891 39.422 38.460 0.118 0.000 1.190 492 Y HN -0.243 nan 8.280 nan 0.000 0.535 493 V N 1.800 121.907 119.914 0.321 0.000 2.588 493 V HA 0.497 4.616 4.120 -0.001 0.000 0.304 493 V C -0.688 175.517 176.094 0.186 0.000 1.042 493 V CA -0.674 61.744 62.300 0.196 0.000 0.877 493 V CB 2.084 33.983 31.823 0.126 0.000 0.996 493 V HN 0.302 nan 8.190 nan 0.000 0.425 494 D N 3.789 124.187 120.400 -0.004 0.000 3.009 494 D HA 0.475 5.115 4.640 -0.001 0.000 0.318 494 D C 0.939 177.226 176.300 -0.023 0.000 1.273 494 D CA 0.106 54.076 54.000 -0.049 0.000 1.001 494 D CB 1.359 41.975 40.800 -0.307 0.000 1.411 494 D HN 0.481 nan 8.370 nan 0.000 0.577 495 A N -0.541 122.269 122.820 -0.017 0.000 2.024 495 A HA -0.077 4.243 4.320 -0.001 0.000 0.220 495 A C 1.955 179.535 177.584 -0.008 0.000 1.164 495 A CA 2.976 55.008 52.037 -0.008 0.000 0.643 495 A CB -1.464 17.538 19.000 0.003 0.000 0.806 495 A HN 0.737 nan 8.150 nan 0.000 0.451 496 T N -1.291 113.252 114.554 -0.019 0.000 2.951 496 T HA -0.120 4.229 4.350 -0.001 0.000 0.268 496 T C 1.187 175.889 174.700 0.003 0.000 1.073 496 T CA 1.419 63.514 62.100 -0.008 0.000 1.134 496 T CB -0.309 68.549 68.868 -0.016 0.000 0.884 496 T HN 0.669 nan 8.240 nan 0.000 0.479 497 N N -0.036 118.667 118.700 0.004 0.000 2.118 497 N HA 0.175 4.914 4.740 -0.001 0.000 0.226 497 N C 1.372 176.892 175.510 0.016 0.000 1.305 497 N CA -0.106 52.955 53.050 0.018 0.000 0.890 497 N CB -0.495 38.011 38.487 0.030 0.000 1.118 497 N HN 0.398 nan 8.380 nan 0.000 0.511 498 L N 1.097 122.323 121.223 0.004 0.000 1.989 498 L HA -0.123 4.217 4.340 -0.001 0.000 0.211 498 L C 1.813 178.669 176.870 -0.024 0.000 1.071 498 L CA 1.890 56.719 54.840 -0.019 0.000 0.749 498 L CB -0.684 41.358 42.059 -0.029 0.000 0.890 498 L HN 0.091 nan 8.230 nan 0.000 0.431 499 T N 0.264 114.836 114.554 0.030 0.000 2.674 499 T HA -0.071 4.278 4.350 -0.001 0.000 0.265 499 T C -0.614 174.154 174.700 0.114 0.000 1.039 499 T CA 1.692 63.861 62.100 0.114 0.000 1.150 499 T CB -1.135 67.815 68.868 0.137 0.000 0.864 499 T HN 0.337 nan 8.240 nan 0.000 0.427 500 P HA -0.045 nan 4.420 nan 0.000 0.216 500 P C 1.440 178.764 177.300 0.041 0.000 1.150 500 P CA 1.170 64.309 63.100 0.065 0.000 0.837 500 P CB -0.034 31.695 31.700 0.048 0.000 0.786 501 R N -0.598 119.908 120.500 0.011 0.000 2.092 501 R HA -0.011 4.329 4.340 -0.001 0.000 0.231 501 R C 2.319 178.566 176.300 -0.088 0.000 1.119 501 R CA 0.862 56.958 56.100 -0.006 0.000 0.970 501 R CB -0.817 29.483 30.300 -0.000 0.000 0.864 501 R HN 0.141 nan 8.270 nan 0.000 0.440 502 L N -0.494 120.596 121.223 -0.222 0.000 2.044 502 L HA -0.010 4.330 4.340 -0.001 0.000 0.205 502 L C -0.077 176.412 176.870 -0.636 0.000 1.075 502 L CA 0.913 55.415 54.840 -0.564 0.000 0.747 502 L CB 0.077 41.595 42.059 -0.902 0.000 0.903 502 L HN 0.163 nan 8.230 nan 0.000 0.435 503 W N -0.371 120.913 121.300 -0.027 0.000 2.606 503 W HA 0.338 4.997 4.660 -0.002 0.000 0.332 503 W C -1.699 174.797 176.519 -0.038 0.000 1.052 503 W CA -1.610 55.716 57.345 -0.031 0.000 1.223 503 W CB 0.386 29.814 29.460 -0.053 0.000 1.383 503 W HN -0.141 nan 8.180 nan 0.000 0.524 504 P HA 0.099 nan 4.420 nan 0.000 0.258 504 P C 0.830 178.232 177.300 0.170 0.000 1.416 504 P CA 0.202 63.406 63.100 0.173 0.000 0.927 504 P CB 0.307 31.958 31.700 -0.082 0.000 1.444 505 R N 0.464 121.063 120.500 0.165 0.000 2.096 505 R HA -0.050 4.290 4.340 -0.001 0.000 0.235 505 R C 2.168 178.608 176.300 0.233 0.000 1.127 505 R CA 1.698 57.962 56.100 0.274 0.000 0.968 505 R CB -0.727 29.743 30.300 0.284 0.000 0.861 505 R HN 0.171 nan 8.270 nan 0.000 0.440 506 A N 0.325 123.151 122.820 0.010 0.000 2.066 506 A HA -0.057 4.263 4.320 -0.001 0.000 0.218 506 A C 2.070 179.926 177.584 0.453 0.000 1.157 506 A CA 1.072 53.095 52.037 -0.024 0.000 0.670 506 A CB -0.131 18.474 19.000 -0.659 0.000 0.804 506 A HN 0.182 nan 8.150 nan 0.000 0.453 507 S N 0.234 116.271 115.700 0.562 0.000 2.399 507 S HA -0.084 4.386 4.470 -0.001 0.000 0.231 507 S C 2.235 177.292 174.600 0.762 0.000 1.022 507 S CA 1.096 59.695 58.200 0.665 0.000 0.983 507 S CB -0.363 62.990 63.200 0.257 0.000 0.803 507 S HN 0.792 nan 8.310 nan 0.000 0.480 508 A N 1.164 124.363 122.820 0.632 0.000 1.902 508 A HA -0.047 4.272 4.320 -0.001 0.000 0.217 508 A C 2.329 180.267 177.584 0.591 0.000 1.181 508 A CA 1.525 54.059 52.037 0.829 0.000 0.623 508 A CB -0.851 18.674 19.000 0.874 0.000 0.818 508 A HN 0.357 nan 8.150 nan 0.000 0.443 509 V N -0.061 120.023 119.914 0.284 0.000 2.427 509 V HA -0.151 3.968 4.120 -0.001 0.000 0.248 509 V C 2.807 178.869 176.094 -0.054 0.000 1.051 509 V CA 1.806 64.007 62.300 -0.165 0.000 1.048 509 V CB -1.450 30.081 31.823 -0.487 0.000 0.666 509 V HN 0.613 nan 8.190 nan 0.000 0.456 510 G N -0.483 108.394 108.800 0.128 0.000 2.442 510 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.219 510 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.219 510 G C 1.535 176.418 174.900 -0.030 0.000 1.141 510 G CA 1.092 46.029 45.100 -0.271 0.000 0.763 510 G HN 0.592 nan 8.290 nan 0.000 0.554 511 E N -0.120 120.160 120.200 0.133 0.000 2.072 511 E HA -0.092 4.257 4.350 -0.001 0.000 0.190 511 E C 2.525 179.147 176.600 0.037 0.000 0.982 511 E CA 0.647 57.018 56.400 -0.048 0.000 0.803 511 E CB -0.072 29.449 29.700 -0.298 0.000 0.755 511 E HN 0.198 nan 8.360 nan 0.000 0.453 512 R N 0.560 121.105 120.500 0.076 0.000 2.127 512 R HA -0.075 4.264 4.340 -0.001 0.000 0.238 512 R C 1.991 178.393 176.300 0.171 0.000 1.134 512 R CA 1.390 57.529 56.100 0.064 0.000 0.975 512 R CB -0.438 29.933 30.300 0.119 0.000 0.865 512 R HN 0.313 nan 8.270 nan 0.000 0.447 513 L N -1.473 119.835 121.223 0.142 0.000 2.375 513 L HA 0.004 4.344 4.340 -0.001 0.000 0.215 513 L C 2.186 179.199 176.870 0.239 0.000 1.108 513 L CA 0.353 55.370 54.840 0.296 0.000 0.830 513 L CB -0.392 41.750 42.059 0.138 0.000 0.959 513 L HN 0.320 nan 8.230 nan 0.000 0.457 514 W N 0.743 122.025 121.300 -0.029 0.000 2.560 514 W HA 0.096 4.754 4.660 -0.002 0.000 0.303 514 W C 1.019 177.485 176.519 -0.088 0.000 1.151 514 W CA 0.361 57.667 57.345 -0.066 0.000 1.426 514 W CB 0.033 29.425 29.460 -0.113 0.000 1.135 514 W HN -0.075 nan 8.180 nan 0.000 0.522 515 S N 1.271 117.064 115.700 0.154 0.000 2.634 515 S HA 0.129 4.599 4.470 -0.001 0.000 0.261 515 S C 0.220 174.778 174.600 -0.070 0.000 1.271 515 S CA -0.524 57.713 58.200 0.061 0.000 0.985 515 S CB 1.142 64.362 63.200 0.034 0.000 0.968 515 S HN 0.035 nan 8.310 nan 0.000 0.568 516 S N 1.250 116.907 115.700 -0.071 0.000 2.563 516 S HA 0.029 4.499 4.470 -0.001 0.000 0.284 516 S C 1.463 176.023 174.600 -0.066 0.000 1.331 516 S CA -0.424 57.721 58.200 -0.091 0.000 1.047 516 S CB 0.379 63.538 63.200 -0.068 0.000 0.859 516 S HN 0.710 nan 8.310 nan 0.000 0.514 517 K N 1.453 121.809 120.400 -0.073 0.000 2.113 517 K HA -0.222 4.097 4.320 -0.001 0.000 0.208 517 K C 0.909 177.491 176.600 -0.029 0.000 1.047 517 K CA 2.077 58.339 56.287 -0.042 0.000 0.928 517 K CB -0.288 32.182 32.500 -0.050 0.000 0.716 517 K HN 0.784 nan 8.250 nan 0.000 0.446 518 D N -0.486 119.897 120.400 -0.028 0.000 2.340 518 D HA -0.024 4.616 4.640 -0.001 0.000 0.220 518 D C 0.138 176.444 176.300 0.010 0.000 1.039 518 D CA -0.039 53.956 54.000 -0.009 0.000 0.866 518 D CB 0.219 41.013 40.800 -0.010 0.000 0.913 518 D HN -0.126 nan 8.370 nan 0.000 0.523 519 V N 1.810 121.726 119.914 0.005 0.000 2.341 519 V HA 0.182 4.302 4.120 -0.001 0.000 0.248 519 V C 0.839 176.977 176.094 0.074 0.000 1.107 519 V CA -0.033 62.292 62.300 0.042 0.000 1.069 519 V CB -0.596 31.241 31.823 0.024 0.000 1.177 519 V HN 0.381 nan 8.190 nan 0.000 0.492 520 R N 1.318 121.900 120.500 0.137 0.000 2.518 520 R HA 0.269 4.608 4.340 -0.001 0.000 0.419 520 R C -0.155 176.326 176.300 0.302 0.000 0.902 520 R CA -0.617 55.623 56.100 0.233 0.000 1.146 520 R CB -0.002 30.353 30.300 0.091 0.000 1.652 520 R HN 0.522 nan 8.270 nan 0.000 0.555 521 D N 1.365 121.912 120.400 0.245 0.000 2.382 521 D HA 0.031 4.670 4.640 -0.001 0.000 0.259 521 D C 1.253 177.703 176.300 0.250 0.000 1.224 521 D CA -0.062 54.058 54.000 0.199 0.000 0.894 521 D CB 0.839 41.726 40.800 0.144 0.000 1.127 521 D HN -0.003 nan 8.370 nan 0.000 0.487 522 M N 2.482 122.212 119.600 0.217 0.000 2.132 522 M HA -0.094 4.385 4.480 -0.001 0.000 0.263 522 M C 1.263 177.708 176.300 0.242 0.000 1.065 522 M CA 1.168 56.601 55.300 0.222 0.000 1.122 522 M CB -0.695 31.975 32.600 0.118 0.000 1.365 522 M HN 0.474 nan 8.290 nan 0.000 0.411 523 D N 0.536 121.037 120.400 0.169 0.000 2.123 523 D HA -0.176 4.463 4.640 -0.001 0.000 0.196 523 D C 1.668 178.094 176.300 0.210 0.000 0.992 523 D CA 1.455 55.558 54.000 0.171 0.000 0.833 523 D CB -0.372 40.491 40.800 0.104 0.000 0.954 523 D HN 0.400 nan 8.370 nan 0.000 0.455 524 D N 0.023 120.529 120.400 0.177 0.000 2.144 524 D HA -0.031 4.608 4.640 -0.001 0.000 0.200 524 D C 1.938 178.353 176.300 0.192 0.000 0.978 524 D CA 1.331 55.425 54.000 0.157 0.000 0.833 524 D CB -0.019 40.859 40.800 0.129 0.000 0.961 524 D HN 0.080 nan 8.370 nan 0.000 0.470 525 A N -0.560 122.403 122.820 0.238 0.000 1.902 525 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 525 A C 2.214 179.891 177.584 0.156 0.000 1.181 525 A CA 1.514 53.708 52.037 0.261 0.000 0.623 525 A CB -1.295 17.748 19.000 0.072 0.000 0.818 525 A HN 0.511 nan 8.150 nan 0.000 0.443 526 Y N 1.129 121.482 120.300 0.089 0.000 2.200 526 Y HA -0.200 4.350 4.550 -0.001 0.000 0.290 526 Y C 1.908 177.759 175.900 -0.083 0.000 1.137 526 Y CA 1.910 59.983 58.100 -0.045 0.000 1.163 526 Y CB -0.134 38.419 38.460 0.154 0.000 0.988 526 Y HN 0.355 nan 8.280 nan 0.000 0.518 527 D N -0.045 120.376 120.400 0.035 0.000 2.084 527 D HA -0.162 4.477 4.640 -0.001 0.000 0.194 527 D C 2.238 178.462 176.300 -0.127 0.000 0.990 527 D CA 1.595 55.557 54.000 -0.064 0.000 0.826 527 D CB -0.304 40.521 40.800 0.040 0.000 0.971 527 D HN 0.403 nan 8.370 nan 0.000 0.453 528 R N -0.083 120.409 120.500 -0.013 0.000 2.092 528 R HA -0.055 4.285 4.340 -0.001 0.000 0.231 528 R C 2.250 178.494 176.300 -0.093 0.000 1.119 528 R CA 0.372 56.499 56.100 0.044 0.000 0.970 528 R CB -0.285 30.167 30.300 0.253 0.000 0.864 528 R HN 0.110 nan 8.270 nan 0.000 0.440 529 L N 1.008 122.019 121.223 -0.353 0.000 2.109 529 L HA -0.108 4.231 4.340 -0.001 0.000 0.207 529 L C 2.231 178.742 176.870 -0.599 0.000 1.086 529 L CA 1.949 56.313 54.840 -0.792 0.000 0.760 529 L CB -0.645 40.644 42.059 -1.282 0.000 0.910 529 L HN 0.254 nan 8.230 nan 0.000 0.437 530 T N -2.853 111.347 114.554 -0.590 0.000 2.746 530 T HA -0.234 4.116 4.350 -0.001 0.000 0.267 530 T C 2.057 176.550 174.700 -0.344 0.000 1.039 530 T CA 1.500 63.302 62.100 -0.496 0.000 1.142 530 T CB -0.454 68.071 68.868 -0.572 0.000 0.866 530 T HN 0.312 nan 8.240 nan 0.000 0.444 531 R N 0.045 120.377 120.500 -0.281 0.000 2.075 531 R HA -0.002 4.337 4.340 -0.001 0.000 0.232 531 R C 2.593 178.796 176.300 -0.163 0.000 1.126 531 R CA 1.424 57.403 56.100 -0.202 0.000 0.963 531 R CB -0.618 29.589 30.300 -0.155 0.000 0.858 531 R HN 0.533 nan 8.270 nan 0.000 0.435 532 H N 1.024 119.938 119.070 -0.260 0.000 2.352 532 H HA -0.074 4.482 4.556 -0.000 0.000 0.299 532 H C 2.123 177.280 175.328 -0.286 0.000 1.097 532 H CA 1.723 57.617 56.048 -0.256 0.000 1.311 532 H CB 0.043 29.613 29.762 -0.320 0.000 1.377 532 H HN -0.052 nan 8.280 nan 0.000 0.504 533 R N 0.090 120.361 120.500 -0.383 0.000 2.081 533 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 533 R C 2.196 178.315 176.300 -0.302 0.000 1.131 533 R CA 1.551 57.425 56.100 -0.378 0.000 0.960 533 R CB -1.112 28.999 30.300 -0.314 0.000 0.856 533 R HN 0.474 nan 8.270 nan 0.000 0.436 534 c N 0.419 118.863 118.600 -0.260 0.000 2.425 534 c HA -0.035 4.534 4.570 -0.001 0.000 0.277 534 c C 2.890 176.849 174.090 -0.217 0.000 1.280 534 c CA 0.987 57.190 56.329 -0.211 0.000 1.744 534 c CB -1.114 41.276 42.510 -0.199 0.000 1.989 534 c HN 0.547 nan 8.230 nan 0.000 0.491 535 R N 0.471 120.814 120.500 -0.261 0.000 2.075 535 R HA -0.081 4.258 4.340 -0.001 0.000 0.232 535 R C 2.241 178.321 176.300 -0.366 0.000 1.126 535 R CA 1.565 57.493 56.100 -0.287 0.000 0.963 535 R CB -0.313 29.825 30.300 -0.270 0.000 0.858 535 R HN 0.445 nan 8.270 nan 0.000 0.435 536 M N 0.050 119.389 119.600 -0.435 0.000 2.108 536 M HA -0.187 4.292 4.480 -0.001 0.000 0.261 536 M C 2.215 178.385 176.300 -0.218 0.000 1.066 536 M CA 1.594 56.675 55.300 -0.365 0.000 1.107 536 M CB -0.133 32.230 32.600 -0.396 0.000 1.356 536 M HN 0.090 nan 8.290 nan 0.000 0.406 537 V N 0.382 120.186 119.914 -0.185 0.000 2.343 537 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 537 V C 1.954 177.992 176.094 -0.095 0.000 1.051 537 V CA 1.996 64.228 62.300 -0.113 0.000 1.036 537 V CB -0.777 30.987 31.823 -0.098 0.000 0.654 537 V HN 0.489 nan 8.190 nan 0.000 0.451 538 E N -0.060 120.068 120.200 -0.119 0.000 2.160 538 E HA -0.200 4.150 4.350 -0.001 0.000 0.195 538 E C 2.111 178.669 176.600 -0.070 0.000 0.991 538 E CA 1.011 57.359 56.400 -0.087 0.000 0.810 538 E CB -0.160 29.480 29.700 -0.100 0.000 0.742 538 E HN 0.540 nan 8.360 nan 0.000 0.466 539 R N -0.555 119.869 120.500 -0.126 0.000 2.335 539 R HA 0.114 4.454 4.340 -0.001 0.000 0.223 539 R C 0.802 177.125 176.300 0.039 0.000 0.940 539 R CA 0.472 56.527 56.100 -0.075 0.000 1.086 539 R CB 0.554 30.629 30.300 -0.375 0.000 1.073 539 R HN 0.246 nan 8.270 nan 0.000 0.504 540 G N 0.950 109.757 108.800 0.011 0.000 2.157 540 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.248 540 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.248 540 G C 0.030 174.942 174.900 0.020 0.000 0.979 540 G CA -0.460 44.658 45.100 0.031 0.000 0.650 540 G HN 0.162 nan 8.290 nan 0.000 0.529 541 I N 1.446 122.012 120.570 -0.006 0.000 2.307 541 I HA 0.554 4.723 4.170 -0.001 0.000 0.289 541 I C 1.067 177.170 176.117 -0.023 0.000 1.021 541 I CA -0.693 60.590 61.300 -0.030 0.000 1.224 541 I CB 0.841 38.769 38.000 -0.121 0.000 1.376 541 I HN 0.302 nan 8.210 nan 0.000 0.470 542 A N 6.196 129.025 122.820 0.016 0.000 3.048 542 A HA 0.495 4.815 4.320 -0.001 0.000 0.264 542 A C 0.962 178.575 177.584 0.049 0.000 1.796 542 A CA -0.332 51.718 52.037 0.021 0.000 1.445 542 A CB -0.724 18.293 19.000 0.028 0.000 1.074 542 A HN 0.784 nan 8.150 nan 0.000 0.621 543 A N 1.665 124.504 122.820 0.032 0.000 2.440 543 A HA 0.470 4.790 4.320 -0.001 0.000 0.251 543 A C 0.674 178.271 177.584 0.023 0.000 1.089 543 A CA -0.373 51.705 52.037 0.068 0.000 0.779 543 A CB 0.109 19.123 19.000 0.025 0.000 1.022 543 A HN 0.884 nan 8.150 nan 0.000 0.492 544 Q N 2.912 122.737 119.800 0.042 0.000 2.382 544 Q HA 0.495 4.834 4.340 -0.001 0.000 0.229 544 Q C -2.436 173.563 176.000 -0.002 0.000 1.006 544 Q CA -1.692 54.126 55.803 0.025 0.000 0.916 544 Q CB 0.216 28.982 28.738 0.046 0.000 1.235 544 Q HN 0.493 nan 8.270 nan 0.000 0.512 545 P HA 0.015 nan 4.420 nan 0.000 0.274 545 P C 0.049 177.360 177.300 0.018 0.000 1.246 545 P CA -0.199 62.893 63.100 -0.013 0.000 0.795 545 P CB 0.927 32.628 31.700 0.002 0.000 1.006 546 L N -0.294 120.935 121.223 0.010 0.000 2.202 546 L HA 0.092 4.432 4.340 -0.001 0.000 0.205 546 L C 0.772 177.842 176.870 0.333 0.000 1.083 546 L CA 1.417 56.322 54.840 0.109 0.000 0.790 546 L CB -0.163 41.876 42.059 -0.034 0.000 0.942 546 L HN 0.436 nan 8.230 nan 0.000 0.452 547 Y N -1.642 118.732 120.300 0.124 0.000 2.895 547 Y HA 0.499 5.050 4.550 0.001 0.000 0.339 547 Y C -0.638 175.323 175.900 0.101 0.000 1.363 547 Y CA -1.323 56.860 58.100 0.138 0.000 1.085 547 Y CB 0.670 39.265 38.460 0.225 0.000 1.500 547 Y HN -0.136 nan 8.280 nan 0.000 0.442 548 A N 1.408 123.870 122.820 -0.595 0.000 2.555 548 A HA 0.490 4.809 4.320 -0.001 0.000 0.233 548 A C 0.645 178.206 177.584 -0.039 0.000 1.060 548 A CA 1.518 53.362 52.037 -0.322 0.000 0.759 548 A CB -1.022 17.709 19.000 -0.448 0.000 0.995 548 A HN 1.953 nan 8.150 nan 0.000 0.506 549 G N -0.286 108.527 108.800 0.022 0.000 2.351 549 G HA2 0.564 4.523 3.960 -0.001 0.000 0.279 549 G HA3 0.564 4.523 3.960 -0.001 0.000 0.279 549 G C -1.015 174.001 174.900 0.194 0.000 1.297 549 G CA 0.115 45.285 45.100 0.117 0.000 0.886 549 G HN 2.303 nan 8.290 nan 0.000 0.493 550 Y N -2.286 117.989 120.300 -0.041 0.000 2.656 550 Y HA 0.780 5.329 4.550 -0.001 0.000 0.334 550 Y C -0.295 175.570 175.900 -0.058 0.000 1.179 550 Y CA -1.672 56.400 58.100 -0.047 0.000 1.050 550 Y CB 0.486 38.922 38.460 -0.039 0.000 1.308 550 Y HN 0.856 nan 8.280 nan 0.000 0.456 551 c N 2.658 121.199 118.600 -0.097 0.000 2.345 551 c HA 0.691 5.260 4.570 -0.001 0.000 0.370 551 c C -0.528 173.492 174.090 -0.117 0.000 1.209 551 c CA -0.202 56.009 56.329 -0.197 0.000 2.133 551 c CB 0.607 43.051 42.510 -0.110 0.000 2.293 551 c HN 1.050 nan 8.230 nan 0.000 0.544 552 N N 0.000 118.619 118.700 -0.134 0.000 1.763 552 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 552 N CA 0.000 53.016 53.050 -0.056 0.000 0.885 552 N CB 0.000 38.498 38.487 0.018 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667