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 1now_1_B 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 0.000 177.590 177.584 0.010 0.000 1.274 55 A CA 0.000 52.015 52.037 -0.037 0.000 0.836 55 A CB 0.000 18.947 19.000 -0.088 0.000 0.831 56 L N 0.805 122.036 121.223 0.012 0.000 2.305 56 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 56 L C -0.384 176.502 176.870 0.027 0.000 1.085 56 L CA -0.274 54.568 54.840 0.003 0.000 0.813 56 L CB 1.056 43.101 42.059 -0.024 0.000 1.157 56 L HN 0.512 nan 8.230 nan 0.000 0.436 57 W N 5.964 127.103 121.300 -0.268 0.000 3.326 57 W HA 0.328 4.988 4.660 -0.000 0.000 0.333 57 W C -2.888 173.364 176.519 -0.444 0.000 1.108 57 W CA -1.710 55.383 57.345 -0.420 0.000 1.245 57 W CB 2.307 31.275 29.460 -0.820 0.000 1.331 57 W HN 0.232 nan 8.180 nan 0.000 0.464 58 P HA 0.031 nan 4.420 nan 0.000 0.272 58 P C -0.274 176.754 177.300 -0.452 0.000 1.230 58 P CA -0.280 62.366 63.100 -0.757 0.000 0.788 58 P CB 0.772 32.158 31.700 -0.523 0.000 0.949 59 L N 4.971 125.960 121.223 -0.391 0.000 2.477 59 L HA 0.236 4.576 4.340 -0.000 0.000 0.272 59 L C -2.235 174.621 176.870 -0.023 0.000 1.157 59 L CA -1.476 53.266 54.840 -0.164 0.000 0.889 59 L CB -0.494 41.489 42.059 -0.126 0.000 1.158 59 L HN 0.291 nan 8.230 nan 0.000 0.473 60 P HA -0.025 nan 4.420 nan 0.000 0.270 60 P C 0.540 177.890 177.300 0.083 0.000 1.223 60 P CA -0.386 62.789 63.100 0.125 0.000 0.785 60 P CB 0.550 32.303 31.700 0.090 0.000 0.923 61 L N 1.461 122.731 121.223 0.078 0.000 1.990 61 L HA -0.105 4.235 4.340 -0.000 0.000 0.213 61 L C 0.708 177.568 176.870 -0.016 0.000 1.072 61 L CA 2.177 57.014 54.840 -0.005 0.000 0.755 61 L CB -0.591 41.432 42.059 -0.061 0.000 0.889 61 L HN 0.349 nan 8.230 nan 0.000 0.432 62 S N -1.169 114.520 115.700 -0.017 0.000 2.647 62 S HA 0.644 5.114 4.470 -0.000 0.000 0.300 62 S C -1.239 173.361 174.600 0.001 0.000 1.129 62 S CA -0.709 57.483 58.200 -0.014 0.000 1.029 62 S CB 1.163 64.348 63.200 -0.025 0.000 1.007 62 S HN -0.044 nan 8.310 nan 0.000 0.484 63 V N 5.830 125.748 119.914 0.007 0.000 2.483 63 V HA 0.540 4.660 4.120 -0.000 0.000 0.297 63 V C -0.646 175.457 176.094 0.015 0.000 1.027 63 V CA -0.704 61.606 62.300 0.017 0.000 0.855 63 V CB 1.817 33.650 31.823 0.017 0.000 0.995 63 V HN 0.832 nan 8.190 nan 0.000 0.424 64 K N 5.724 126.135 120.400 0.020 0.000 2.507 64 K HA 0.630 4.950 4.320 -0.000 0.000 0.253 64 K C -0.930 175.684 176.600 0.023 0.000 0.969 64 K CA -0.526 55.771 56.287 0.018 0.000 0.908 64 K CB 1.579 34.089 32.500 0.016 0.000 1.127 64 K HN 0.498 nan 8.250 nan 0.000 0.437 65 M N 1.921 121.532 119.600 0.018 0.000 2.423 65 M HA 0.301 4.781 4.480 -0.000 0.000 0.335 65 M C 0.535 176.846 176.300 0.018 0.000 1.177 65 M CA -0.514 54.798 55.300 0.020 0.000 1.038 65 M CB 1.615 34.224 32.600 0.014 0.000 1.641 65 M HN 0.633 nan 8.290 nan 0.000 0.455 66 T N -1.514 113.052 114.554 0.021 0.000 2.940 66 T HA 0.669 5.019 4.350 -0.000 0.000 0.288 66 T C -2.388 172.323 174.700 0.019 0.000 1.045 66 T CA -1.528 60.583 62.100 0.018 0.000 1.018 66 T CB 1.735 70.613 68.868 0.017 0.000 1.151 66 T HN 0.400 nan 8.240 nan 0.000 0.529 67 P HA 0.214 nan 4.420 nan 0.000 0.255 67 P C -0.460 176.851 177.300 0.019 0.000 1.248 67 P CA -0.269 62.843 63.100 0.021 0.000 0.807 67 P CB -0.160 31.550 31.700 0.017 0.000 1.150 68 N N 1.225 119.932 118.700 0.011 0.000 2.405 68 N HA 0.109 4.849 4.740 -0.000 0.000 0.260 68 N C -0.008 175.491 175.510 -0.018 0.000 1.152 68 N CA 0.247 53.295 53.050 -0.003 0.000 0.948 68 N CB 0.275 38.760 38.487 -0.003 0.000 1.111 68 N HN 0.152 nan 8.380 nan 0.000 0.485 69 L N 2.459 123.654 121.223 -0.046 0.000 2.350 69 L HA 0.474 4.814 4.340 -0.000 0.000 0.275 69 L C 0.319 177.053 176.870 -0.227 0.000 1.099 69 L CA -0.579 54.196 54.840 -0.108 0.000 0.808 69 L CB 0.657 42.653 42.059 -0.106 0.000 1.149 69 L HN 0.213 nan 8.230 nan 0.000 0.442 70 L N 1.690 122.756 121.223 -0.261 0.000 2.333 70 L HA 0.597 4.937 4.340 -0.000 0.000 0.263 70 L C -0.653 175.994 176.870 -0.371 0.000 1.014 70 L CA -1.008 53.659 54.840 -0.288 0.000 0.820 70 L CB 1.996 43.999 42.059 -0.094 0.000 1.352 70 L HN 0.496 nan 8.230 nan 0.000 0.421 71 H N 1.094 120.162 119.070 -0.003 0.000 2.651 71 H HA 0.750 5.306 4.556 -0.000 0.000 0.353 71 H C -1.070 174.270 175.328 0.021 0.000 1.178 71 H CA -0.675 55.372 56.048 -0.002 0.000 1.224 71 H CB 2.202 31.972 29.762 0.013 0.000 1.702 71 H HN 0.211 nan 8.280 nan 0.000 0.550 72 L N 0.434 121.769 121.223 0.185 0.000 2.401 72 L HA 0.596 4.936 4.340 -0.000 0.000 0.266 72 L C -0.203 176.679 176.870 0.019 0.000 0.991 72 L CA -0.770 54.117 54.840 0.079 0.000 0.818 72 L CB 2.013 44.069 42.059 -0.006 0.000 1.321 72 L HN 0.685 nan 8.230 nan 0.000 0.413 73 A N 3.098 125.861 122.820 -0.095 0.000 2.267 73 A HA 0.736 5.056 4.320 -0.000 0.000 0.315 73 A C -2.039 175.248 177.584 -0.496 0.000 1.297 73 A CA -1.419 50.499 52.037 -0.198 0.000 0.865 73 A CB 0.627 19.566 19.000 -0.102 0.000 1.165 73 A HN 0.583 nan 8.150 nan 0.000 0.513 74 P HA -0.243 nan 4.420 nan 0.000 0.216 74 P C 0.951 177.911 177.300 -0.566 0.000 1.167 74 P CA 1.601 63.923 63.100 -1.296 0.000 0.914 74 P CB 0.355 31.542 31.700 -0.855 0.000 0.793 75 E N -2.119 117.897 120.200 -0.307 0.000 2.476 75 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 75 E C 0.504 176.990 176.600 -0.189 0.000 1.064 75 E CA -0.045 56.253 56.400 -0.169 0.000 0.866 75 E CB -0.422 29.220 29.700 -0.096 0.000 0.952 75 E HN 0.011 nan 8.360 nan 0.000 0.492 76 N N -0.064 118.463 118.700 -0.288 0.000 2.517 76 N HA 0.091 4.831 4.740 -0.000 0.000 0.285 76 N C -1.782 173.370 175.510 -0.597 0.000 1.528 76 N CA -0.270 52.549 53.050 -0.385 0.000 0.892 76 N CB 0.231 38.633 38.487 -0.141 0.000 1.356 76 N HN 0.005 nan 8.380 nan 0.000 0.495 77 F N 1.234 120.687 119.950 -0.829 0.000 2.539 77 F HA 0.494 5.021 4.527 -0.000 0.000 0.318 77 F C -1.713 173.777 175.800 -0.516 0.000 1.135 77 F CA -0.723 56.920 58.000 -0.595 0.000 0.915 77 F CB 0.825 39.651 39.000 -0.290 0.000 1.176 77 F HN -0.089 nan 8.300 nan 0.000 0.440 78 Y N 5.991 125.920 120.300 -0.618 0.000 2.462 78 Y HA 0.653 5.203 4.550 -0.000 0.000 0.346 78 Y C -0.558 174.921 175.900 -0.702 0.000 0.976 78 Y CA -1.430 56.414 58.100 -0.427 0.000 1.044 78 Y CB 1.552 39.842 38.460 -0.284 0.000 1.230 78 Y HN 0.361 nan 8.280 nan 0.000 0.455 79 I N 3.262 123.639 120.570 -0.322 0.000 2.354 79 I HA 0.582 4.752 4.170 -0.000 0.000 0.292 79 I C -0.325 175.380 176.117 -0.687 0.000 0.989 79 I CA -0.203 60.738 61.300 -0.598 0.000 1.188 79 I CB 1.291 38.945 38.000 -0.577 0.000 1.342 79 I HN 0.782 nan 8.210 nan 0.000 0.457 80 S N 4.014 119.280 115.700 -0.724 0.000 2.671 80 S HA 0.522 4.992 4.470 -0.000 0.000 0.277 80 S C -0.902 173.463 174.600 -0.392 0.000 1.165 80 S CA -1.057 56.860 58.200 -0.472 0.000 0.822 80 S CB 1.590 64.660 63.200 -0.217 0.000 1.150 80 S HN 0.467 nan 8.310 nan 0.000 0.479 81 H N 1.748 120.844 119.070 0.043 0.000 2.610 81 H HA 0.455 5.011 4.556 -0.000 0.000 0.336 81 H C 0.733 176.053 175.328 -0.015 0.000 1.087 81 H CA 0.165 56.251 56.048 0.063 0.000 1.405 81 H CB 1.142 30.960 29.762 0.092 0.000 1.460 81 H HN 0.841 nan 8.280 nan 0.000 0.538 82 S N 3.781 119.537 115.700 0.093 0.000 2.592 82 S HA 0.080 4.550 4.470 -0.000 0.000 0.271 82 S C -1.407 173.220 174.600 0.045 0.000 1.326 82 S CA -1.161 57.060 58.200 0.034 0.000 1.024 82 S CB 1.507 64.715 63.200 0.014 0.000 0.921 82 S HN 0.450 nan 8.310 nan 0.000 0.527 83 P HA -0.134 nan 4.420 nan 0.000 0.220 83 P C 0.766 178.068 177.300 0.004 0.000 1.148 83 P CA 1.189 64.294 63.100 0.008 0.000 0.803 83 P CB -0.308 31.391 31.700 -0.002 0.000 0.782 84 N N -0.642 118.062 118.700 0.007 0.000 2.461 84 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 84 N C 0.521 176.034 175.510 0.005 0.000 1.134 84 N CA 0.118 53.170 53.050 0.004 0.000 0.878 84 N CB -0.867 37.624 38.487 0.005 0.000 0.972 84 N HN -0.065 nan 8.380 nan 0.000 0.456 85 S N 0.170 115.877 115.700 0.013 0.000 2.564 85 S HA 0.116 4.586 4.470 -0.000 0.000 0.278 85 S C 1.334 175.921 174.600 -0.022 0.000 1.333 85 S CA -0.098 58.110 58.200 0.012 0.000 1.048 85 S CB 0.495 63.728 63.200 0.054 0.000 0.900 85 S HN 0.499 nan 8.310 nan 0.000 0.505 86 T N 2.093 116.632 114.554 -0.026 0.000 3.072 86 T HA 0.294 4.644 4.350 -0.000 0.000 0.266 86 T C 0.561 175.208 174.700 -0.088 0.000 1.127 86 T CA 0.435 62.506 62.100 -0.048 0.000 1.107 86 T CB -0.171 68.675 68.868 -0.035 0.000 0.910 86 T HN 0.674 nan 8.240 nan 0.000 0.513 87 A N -0.016 122.737 122.820 -0.111 0.000 2.320 87 A HA 0.880 5.200 4.320 -0.000 0.000 0.334 87 A C 0.383 177.697 177.584 -0.450 0.000 1.147 87 A CA -0.316 51.593 52.037 -0.214 0.000 0.820 87 A CB 1.436 20.346 19.000 -0.150 0.000 1.218 87 A HN 0.584 nan 8.150 nan 0.000 0.482 88 G N -0.811 107.613 108.800 -0.626 0.000 2.870 88 G HA2 0.564 4.524 3.960 -0.000 0.000 0.299 88 G HA3 0.564 4.524 3.960 -0.000 0.000 0.299 88 G C -2.563 171.965 174.900 -0.620 0.000 1.324 88 G CA -0.759 43.854 45.100 -0.811 0.000 0.808 88 G HN 0.293 nan 8.290 nan 0.000 0.535 89 P HA -0.091 nan 4.420 nan 0.000 0.218 89 P C 1.973 179.239 177.300 -0.057 0.000 1.146 89 P CA 2.078 65.171 63.100 -0.012 0.000 0.813 89 P CB 0.114 31.820 31.700 0.011 0.000 0.778 90 S N -2.270 113.369 115.700 -0.102 0.000 2.474 90 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 90 S C 1.189 175.727 174.600 -0.104 0.000 0.997 90 S CA 0.176 58.322 58.200 -0.089 0.000 0.949 90 S CB -1.513 61.635 63.200 -0.087 0.000 0.766 90 S HN 0.208 nan 8.310 nan 0.000 0.517 91 c N 3.954 122.471 118.600 -0.138 0.000 2.428 91 c HA 0.357 4.926 4.570 -0.000 0.000 0.362 91 c C 1.977 175.983 174.090 -0.141 0.000 1.114 91 c CA -0.285 55.955 56.329 -0.148 0.000 1.473 91 c CB -2.056 40.347 42.510 -0.178 0.000 2.003 91 c HN 0.569 nan 8.230 nan 0.000 0.526 92 T N 4.066 118.547 114.554 -0.123 0.000 2.665 92 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 92 T C 1.766 176.378 174.700 -0.147 0.000 1.035 92 T CA 2.134 64.165 62.100 -0.115 0.000 1.151 92 T CB -0.238 68.577 68.868 -0.088 0.000 0.862 92 T HN 0.819 nan 8.240 nan 0.000 0.438 93 L N 0.335 121.461 121.223 -0.161 0.000 2.012 93 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 93 L C 2.243 178.979 176.870 -0.223 0.000 1.073 93 L CA 1.586 56.325 54.840 -0.169 0.000 0.748 93 L CB -0.277 41.668 42.059 -0.191 0.000 0.891 93 L HN 0.274 nan 8.230 nan 0.000 0.431 94 L N -0.809 120.225 121.223 -0.314 0.000 2.072 94 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 94 L C 2.721 179.001 176.870 -0.982 0.000 1.079 94 L CA 0.715 55.194 54.840 -0.602 0.000 0.752 94 L CB -0.670 41.054 42.059 -0.557 0.000 0.906 94 L HN 0.260 nan 8.230 nan 0.000 0.436 95 E N 0.215 120.061 120.200 -0.590 0.000 2.051 95 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 95 E C 2.119 178.591 176.600 -0.212 0.000 0.991 95 E CA 1.058 57.221 56.400 -0.396 0.000 0.799 95 E CB -0.114 29.496 29.700 -0.150 0.000 0.748 95 E HN 0.422 nan 8.360 nan 0.000 0.449 96 E N 0.557 120.660 120.200 -0.161 0.000 2.110 96 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 96 E C 1.981 178.568 176.600 -0.022 0.000 0.988 96 E CA 0.954 57.307 56.400 -0.077 0.000 0.804 96 E CB -0.254 29.398 29.700 -0.079 0.000 0.745 96 E HN 0.212 nan 8.360 nan 0.000 0.458 97 A N 1.033 123.837 122.820 -0.026 0.000 1.898 97 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 97 A C 1.985 179.793 177.584 0.374 0.000 1.181 97 A CA 0.985 53.131 52.037 0.181 0.000 0.620 97 A CB -0.660 18.440 19.000 0.166 0.000 0.819 97 A HN 0.112 nan 8.150 nan 0.000 0.442 98 F N 0.043 120.050 119.950 0.095 0.000 2.095 98 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 98 F C 2.406 178.285 175.800 0.130 0.000 1.104 98 F CA 1.329 59.382 58.000 0.088 0.000 1.232 98 F CB -1.119 37.867 39.000 -0.023 0.000 0.987 98 F HN 0.297 nan 8.300 nan 0.000 0.475 99 R N 1.032 121.679 120.500 0.245 0.000 2.066 99 R HA -0.168 4.172 4.340 -0.000 0.000 0.232 99 R C 2.503 178.846 176.300 0.072 0.000 1.131 99 R CA 1.792 57.970 56.100 0.130 0.000 0.955 99 R CB -0.206 30.117 30.300 0.039 0.000 0.851 99 R HN 0.347 nan 8.270 nan 0.000 0.432 100 R N -1.360 119.132 120.500 -0.013 0.000 2.115 100 R HA -0.132 4.207 4.340 -0.000 0.000 0.230 100 R C 1.658 177.686 176.300 -0.453 0.000 1.111 100 R CA 1.552 57.477 56.100 -0.291 0.000 0.976 100 R CB -0.764 29.337 30.300 -0.332 0.000 0.870 100 R HN 0.262 nan 8.270 nan 0.000 0.445 101 Y N 0.683 121.025 120.300 0.070 0.000 2.314 101 Y HA -0.147 4.403 4.550 -0.000 0.000 0.293 101 Y C 2.696 178.692 175.900 0.161 0.000 1.129 101 Y CA 1.503 59.726 58.100 0.206 0.000 1.201 101 Y CB -0.454 38.163 38.460 0.263 0.000 0.999 101 Y HN 0.254 nan 8.280 nan 0.000 0.541 102 H N -0.379 118.832 119.070 0.235 0.000 2.319 102 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 102 H C 2.308 177.741 175.328 0.174 0.000 1.092 102 H CA 1.680 57.891 56.048 0.271 0.000 1.302 102 H CB -0.464 29.444 29.762 0.244 0.000 1.373 102 H HN 0.441 nan 8.280 nan 0.000 0.497 103 G N -0.741 108.157 108.800 0.163 0.000 2.408 103 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 103 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 103 G C 1.296 176.167 174.900 -0.049 0.000 1.150 103 G CA 0.649 45.760 45.100 0.017 0.000 0.776 103 G HN 0.382 nan 8.290 nan 0.000 0.542 104 Y N 0.556 120.834 120.300 -0.037 0.000 2.242 104 Y HA 0.103 4.653 4.550 -0.000 0.000 0.291 104 Y C 2.682 178.487 175.900 -0.157 0.000 1.137 104 Y CA 0.061 58.089 58.100 -0.121 0.000 1.181 104 Y CB -0.476 37.864 38.460 -0.200 0.000 0.989 104 Y HN 0.138 nan 8.280 nan 0.000 0.527 105 I N -1.689 118.823 120.570 -0.096 0.000 2.252 105 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 105 I C 0.995 176.681 176.117 -0.717 0.000 1.102 105 I CA 1.570 62.556 61.300 -0.524 0.000 1.385 105 I CB -0.247 37.215 38.000 -0.897 0.000 1.064 105 I HN 0.039 nan 8.210 nan 0.000 0.414 106 F N 0.095 119.937 119.950 -0.181 0.000 2.688 106 F HA 0.373 4.900 4.527 -0.000 0.000 0.310 106 F C 1.416 177.214 175.800 -0.004 0.000 1.098 106 F CA -0.563 57.290 58.000 -0.245 0.000 1.228 106 F CB -0.633 38.066 39.000 -0.501 0.000 1.042 106 F HN -0.164 nan 8.300 nan 0.000 0.557 123 Q N 2.094 121.923 119.800 0.049 0.000 2.307 123 Q HA 0.608 4.948 4.340 -0.000 0.000 0.262 123 Q C -0.901 175.157 176.000 0.097 0.000 0.961 123 Q CA -0.493 55.362 55.803 0.086 0.000 0.882 123 Q CB 1.437 30.231 28.738 0.094 0.000 1.264 123 Q HN 0.162 nan 8.270 nan 0.000 0.446 124 V N 5.305 125.299 119.914 0.132 0.000 2.405 124 V HA 0.015 4.135 4.120 -0.000 0.000 0.264 124 V C 0.819 177.085 176.094 0.287 0.000 1.048 124 V CA 0.037 62.460 62.300 0.204 0.000 0.966 124 V CB 1.161 33.145 31.823 0.269 0.000 1.015 124 V HN 0.893 nan 8.190 nan 0.000 0.477 125 Q N 3.012 122.928 119.800 0.195 0.000 2.250 125 Q HA 0.147 4.487 4.340 -0.000 0.000 0.200 125 Q C 0.196 176.197 176.000 0.002 0.000 0.941 125 Q CA 0.825 56.712 55.803 0.139 0.000 0.872 125 Q CB 0.644 29.440 28.738 0.098 0.000 0.965 125 Q HN 0.802 nan 8.270 nan 0.000 0.480 126 Q N -0.135 119.628 119.800 -0.062 0.000 2.462 126 Q HA 0.488 4.828 4.340 -0.000 0.000 0.285 126 Q C -1.613 174.213 176.000 -0.290 0.000 1.035 126 Q CA -0.729 54.855 55.803 -0.365 0.000 0.799 126 Q CB 2.103 30.733 28.738 -0.180 0.000 1.452 126 Q HN -0.031 nan 8.270 nan 0.000 0.404 127 L N 1.873 122.784 121.223 -0.520 0.000 2.298 127 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 127 L C -1.725 174.898 176.870 -0.410 0.000 1.013 127 L CA -0.212 54.379 54.840 -0.414 0.000 0.824 127 L CB 0.867 42.564 42.059 -0.603 0.000 1.221 127 L HN 0.554 nan 8.230 nan 0.000 0.418 128 L N 5.865 126.924 121.223 -0.272 0.000 2.289 128 L HA 0.531 4.871 4.340 -0.000 0.000 0.285 128 L C -0.649 176.102 176.870 -0.198 0.000 1.049 128 L CA -0.832 53.874 54.840 -0.224 0.000 0.804 128 L CB 1.762 43.748 42.059 -0.121 0.000 1.195 128 L HN 0.340 nan 8.230 nan 0.000 0.428 129 V N 2.532 122.334 119.914 -0.187 0.000 2.357 129 V HA 0.261 4.381 4.120 -0.000 0.000 0.284 129 V C 0.074 176.198 176.094 0.049 0.000 1.018 129 V CA -0.321 61.934 62.300 -0.074 0.000 0.841 129 V CB 1.474 33.275 31.823 -0.036 0.000 0.991 129 V HN 0.759 nan 8.190 nan 0.000 0.437 130 S N 5.698 121.421 115.700 0.039 0.000 2.456 130 S HA 0.727 5.197 4.470 -0.000 0.000 0.316 130 S C -0.661 173.972 174.600 0.054 0.000 1.089 130 S CA -0.445 57.787 58.200 0.052 0.000 1.101 130 S CB 0.487 63.705 63.200 0.030 0.000 0.995 130 S HN 0.498 nan 8.310 nan 0.000 0.468 131 I N 4.652 125.253 120.570 0.051 0.000 2.336 131 I HA 0.295 4.465 4.170 -0.000 0.000 0.292 131 I C 1.341 177.469 176.117 0.019 0.000 0.991 131 I CA -0.127 61.190 61.300 0.029 0.000 1.227 131 I CB 1.915 39.916 38.000 0.002 0.000 1.366 131 I HN 0.607 nan 8.210 nan 0.000 0.466 132 T N 4.908 119.477 114.554 0.025 0.000 2.852 132 T HA 0.222 4.572 4.350 -0.000 0.000 0.256 132 T C 0.829 175.539 174.700 0.016 0.000 1.038 132 T CA 0.728 62.842 62.100 0.022 0.000 1.141 132 T CB 0.013 68.900 68.868 0.031 0.000 0.869 132 T HN 0.237 nan 8.240 nan 0.000 0.439 133 L N 0.679 121.914 121.223 0.020 0.000 2.492 133 L HA 0.382 4.722 4.340 -0.000 0.000 0.263 133 L C 0.386 177.260 176.870 0.007 0.000 1.062 133 L CA -1.200 53.652 54.840 0.020 0.000 0.817 133 L CB 0.348 42.428 42.059 0.035 0.000 1.441 133 L HN 0.053 nan 8.230 nan 0.000 0.493 134 Q N 0.513 120.319 119.800 0.011 0.000 2.308 134 Q HA -0.076 4.264 4.340 -0.000 0.000 0.313 134 Q C 1.170 177.162 176.000 -0.013 0.000 1.075 134 Q CA 0.441 56.245 55.803 0.001 0.000 0.995 134 Q CB 0.574 29.322 28.738 0.017 0.000 1.107 134 Q HN 0.765 nan 8.270 nan 0.000 0.380 135 S N 2.797 118.466 115.700 -0.052 0.000 2.399 135 S HA -0.193 4.277 4.470 -0.000 0.000 0.231 135 S C 0.392 174.885 174.600 -0.178 0.000 1.022 135 S CA 1.104 59.236 58.200 -0.113 0.000 0.983 135 S CB 0.004 63.122 63.200 -0.136 0.000 0.803 135 S HN 0.839 nan 8.310 nan 0.000 0.480 136 E N -1.132 119.012 120.200 -0.094 0.000 3.070 136 E HA -0.240 4.110 4.350 -0.000 0.000 0.285 136 E C 0.965 177.445 176.600 -0.200 0.000 0.972 136 E CA 0.541 56.919 56.400 -0.036 0.000 0.915 136 E CB -2.658 27.159 29.700 0.195 0.000 1.466 136 E HN 0.676 nan 8.360 nan 0.000 0.432 137 c N 0.707 119.164 118.600 -0.238 0.000 2.413 137 c HA -0.171 4.399 4.570 -0.000 0.000 0.277 137 c C 1.690 175.665 174.090 -0.192 0.000 1.265 137 c CA 1.598 57.762 56.329 -0.275 0.000 1.752 137 c CB -0.354 42.032 42.510 -0.206 0.000 1.998 137 c HN 0.436 nan 8.230 nan 0.000 0.489 138 D N 0.239 120.572 120.400 -0.112 0.000 2.340 138 D HA 0.295 4.935 4.640 -0.000 0.000 0.217 138 D C 0.653 176.908 176.300 -0.074 0.000 1.081 138 D CA 0.576 54.519 54.000 -0.095 0.000 0.842 138 D CB 0.200 40.962 40.800 -0.063 0.000 0.934 138 D HN 0.613 nan 8.370 nan 0.000 0.511 139 A N 0.010 122.849 122.820 0.032 0.000 2.248 139 A HA 0.598 4.918 4.320 -0.000 0.000 0.316 139 A C -0.486 177.176 177.584 0.130 0.000 1.101 139 A CA -0.420 51.700 52.037 0.139 0.000 0.875 139 A CB 0.615 19.782 19.000 0.279 0.000 1.207 139 A HN -0.050 nan 8.150 nan 0.000 0.504 140 F N 0.556 120.644 119.950 0.231 0.000 2.399 140 F HA 0.476 5.003 4.527 -0.000 0.000 0.334 140 F C -1.682 174.086 175.800 -0.055 0.000 1.097 140 F CA -1.875 56.206 58.000 0.135 0.000 1.076 140 F CB 1.353 40.402 39.000 0.082 0.000 1.162 140 F HN 0.312 nan 8.300 nan 0.000 0.495 141 P HA 0.228 nan 4.420 nan 0.000 0.274 141 P C -1.364 175.795 177.300 -0.235 0.000 1.237 141 P CA -0.363 62.307 63.100 -0.716 0.000 0.793 141 P CB 0.989 32.089 31.700 -1.000 0.000 0.977 142 N N 0.114 118.686 118.700 -0.215 0.000 2.831 142 N HA 0.202 4.942 4.740 -0.000 0.000 0.276 142 N C 0.481 175.974 175.510 -0.029 0.000 1.416 142 N CA -0.829 52.200 53.050 -0.035 0.000 0.799 142 N CB -0.293 38.218 38.487 0.040 0.000 1.554 142 N HN 0.128 nan 8.380 nan 0.000 0.541 143 I N 0.100 120.713 120.570 0.072 0.000 2.315 143 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 143 I C 1.454 177.595 176.117 0.039 0.000 1.125 143 I CA 1.916 63.251 61.300 0.059 0.000 1.392 143 I CB -0.555 37.508 38.000 0.105 0.000 1.065 143 I HN 0.714 nan 8.210 nan 0.000 0.424 144 S N -1.327 114.399 115.700 0.044 0.000 2.575 144 S HA 0.203 4.673 4.470 -0.000 0.000 0.215 144 S C 0.960 175.577 174.600 0.029 0.000 0.966 144 S CA -0.327 57.898 58.200 0.043 0.000 0.911 144 S CB -0.786 62.451 63.200 0.061 0.000 0.780 144 S HN 0.295 nan 8.310 nan 0.000 0.514 145 S N 3.429 119.108 115.700 -0.036 0.000 2.544 145 S HA 0.074 4.543 4.470 -0.000 0.000 0.290 145 S C -0.143 174.501 174.600 0.073 0.000 1.276 145 S CA -0.089 58.072 58.200 -0.065 0.000 1.075 145 S CB 0.228 63.145 63.200 -0.472 0.000 0.849 145 S HN 0.490 nan 8.310 nan 0.000 0.494 146 D N 2.585 123.108 120.400 0.205 0.000 2.338 146 D HA 0.072 4.712 4.640 -0.000 0.000 0.255 146 D C 0.383 176.858 176.300 0.293 0.000 1.237 146 D CA -0.055 54.066 54.000 0.200 0.000 0.883 146 D CB 0.472 41.382 40.800 0.184 0.000 1.087 146 D HN 0.567 nan 8.370 nan 0.000 0.485 147 E N 1.274 121.618 120.200 0.240 0.000 2.499 147 E HA 0.061 4.411 4.350 -0.000 0.000 0.199 147 E C 0.349 177.169 176.600 0.368 0.000 1.016 147 E CA -0.292 56.317 56.400 0.349 0.000 0.933 147 E CB 0.382 30.302 29.700 0.366 0.000 1.050 147 E HN 0.418 nan 8.360 nan 0.000 0.462 148 S N 0.801 116.636 115.700 0.225 0.000 2.592 148 S HA 0.364 4.834 4.470 -0.000 0.000 0.271 148 S C -0.311 174.448 174.600 0.265 0.000 1.326 148 S CA -0.595 57.697 58.200 0.153 0.000 1.024 148 S CB 0.357 63.581 63.200 0.039 0.000 0.921 148 S HN 0.294 nan 8.310 nan 0.000 0.527 149 Y N -1.963 118.412 120.300 0.125 0.000 2.677 149 Y HA 0.708 5.258 4.550 -0.000 0.000 0.334 149 Y C -0.953 174.997 175.900 0.082 0.000 1.196 149 Y CA -0.848 57.312 58.100 0.099 0.000 1.059 149 Y CB 0.826 39.350 38.460 0.107 0.000 1.315 149 Y HN 0.888 nan 8.280 nan 0.000 0.455 150 T N 1.022 115.707 114.554 0.219 0.000 2.886 150 T HA 0.672 5.022 4.350 -0.000 0.000 0.292 150 T C -1.644 173.210 174.700 0.256 0.000 1.012 150 T CA -0.694 61.491 62.100 0.141 0.000 0.982 150 T CB 1.774 70.680 68.868 0.064 0.000 1.018 150 T HN 0.989 nan 8.240 nan 0.000 0.451 151 L N 3.747 125.116 121.223 0.243 0.000 2.349 151 L HA 0.556 4.896 4.340 -0.000 0.000 0.278 151 L C -1.312 175.646 176.870 0.146 0.000 0.996 151 L CA -1.161 53.808 54.840 0.216 0.000 0.825 151 L CB 1.284 43.520 42.059 0.295 0.000 1.243 151 L HN 0.704 nan 8.230 nan 0.000 0.412 152 L N 6.164 127.454 121.223 0.111 0.000 2.318 152 L HA 0.432 4.771 4.340 -0.000 0.000 0.277 152 L C -0.523 176.411 176.870 0.106 0.000 1.008 152 L CA -0.688 54.206 54.840 0.090 0.000 0.846 152 L CB 1.765 43.860 42.059 0.061 0.000 1.220 152 L HN 0.262 nan 8.230 nan 0.000 0.423 153 V N 4.140 124.129 119.914 0.124 0.000 2.348 153 V HA 0.424 4.544 4.120 -0.000 0.000 0.270 153 V C -0.055 176.098 176.094 0.099 0.000 1.037 153 V CA -0.349 62.041 62.300 0.151 0.000 0.872 153 V CB 0.987 32.911 31.823 0.169 0.000 1.002 153 V HN 0.830 nan 8.190 nan 0.000 0.464 154 K N 2.920 123.376 120.400 0.093 0.000 2.555 154 K HA 0.615 4.935 4.320 -0.000 0.000 0.279 154 K C -0.921 175.718 176.600 0.066 0.000 0.986 154 K CA -0.841 55.484 56.287 0.063 0.000 0.880 154 K CB 1.752 34.281 32.500 0.048 0.000 1.474 154 K HN 0.383 nan 8.250 nan 0.000 0.433 155 E N 1.130 121.358 120.200 0.047 0.000 2.283 155 E HA 0.254 4.604 4.350 -0.000 0.000 0.278 155 E C -1.643 174.981 176.600 0.039 0.000 1.027 155 E CA -2.276 54.151 56.400 0.046 0.000 0.843 155 E CB 0.854 30.572 29.700 0.028 0.000 1.062 155 E HN 0.553 nan 8.360 nan 0.000 0.401 156 P HA 0.138 nan 4.420 nan 0.000 0.267 156 P C -0.504 176.834 177.300 0.064 0.000 1.289 156 P CA 0.002 63.135 63.100 0.056 0.000 0.866 156 P CB 0.537 32.265 31.700 0.047 0.000 1.309 157 V N 0.808 120.750 119.914 0.047 0.000 2.407 157 V HA 0.630 4.750 4.120 -0.000 0.000 0.291 157 V C 0.213 176.328 176.094 0.035 0.000 1.018 157 V CA -1.207 61.110 62.300 0.028 0.000 0.842 157 V CB 1.328 33.151 31.823 -0.000 0.000 0.996 157 V HN 0.095 nan 8.190 nan 0.000 0.426 158 A N 4.849 127.697 122.820 0.047 0.000 2.322 158 A HA 0.806 5.126 4.320 -0.000 0.000 0.269 158 A C -0.461 177.103 177.584 -0.034 0.000 1.094 158 A CA -0.358 51.709 52.037 0.050 0.000 0.807 158 A CB 1.023 20.100 19.000 0.129 0.000 1.047 158 A HN 0.714 nan 8.150 nan 0.000 0.487 159 V N 2.519 122.425 119.914 -0.014 0.000 2.531 159 V HA 0.409 4.529 4.120 -0.000 0.000 0.301 159 V C -0.968 175.115 176.094 -0.019 0.000 1.034 159 V CA -0.464 61.817 62.300 -0.032 0.000 0.865 159 V CB 1.405 33.228 31.823 -0.001 0.000 0.995 159 V HN 0.794 nan 8.190 nan 0.000 0.424 160 L N 5.459 126.648 121.223 -0.056 0.000 2.294 160 L HA 0.630 4.970 4.340 -0.000 0.000 0.283 160 L C -0.422 176.463 176.870 0.024 0.000 1.015 160 L CA -0.190 54.639 54.840 -0.017 0.000 0.831 160 L CB 1.073 43.067 42.059 -0.107 0.000 1.217 160 L HN 0.685 nan 8.230 nan 0.000 0.420 161 K N 4.300 124.748 120.400 0.080 0.000 2.244 161 K HA 0.924 5.244 4.320 -0.000 0.000 0.260 161 K C -1.467 175.210 176.600 0.129 0.000 0.951 161 K CA -0.422 55.915 56.287 0.082 0.000 0.826 161 K CB 1.574 34.114 32.500 0.067 0.000 1.108 161 K HN 0.792 nan 8.250 nan 0.000 0.433 162 A N 3.188 126.073 122.820 0.108 0.000 2.574 162 A HA 0.302 4.621 4.320 -0.000 0.000 0.297 162 A C -0.314 177.324 177.584 0.090 0.000 1.062 162 A CA -0.842 51.275 52.037 0.134 0.000 0.686 162 A CB 1.347 20.440 19.000 0.156 0.000 1.285 162 A HN 0.839 nan 8.150 nan 0.000 0.403 163 N N 0.455 119.212 118.700 0.095 0.000 2.166 163 N HA -0.066 4.674 4.740 -0.000 0.000 0.186 163 N C 0.391 175.935 175.510 0.058 0.000 1.019 163 N CA 1.294 54.388 53.050 0.074 0.000 0.856 163 N CB -0.094 38.444 38.487 0.085 0.000 0.993 163 N HN 0.602 nan 8.380 nan 0.000 0.426 164 R N -1.177 119.361 120.500 0.064 0.000 2.855 164 R HA 0.282 4.622 4.340 -0.000 0.000 0.266 164 R C 1.048 177.272 176.300 -0.128 0.000 1.034 164 R CA -0.740 55.345 56.100 -0.025 0.000 0.944 164 R CB 0.204 30.549 30.300 0.075 0.000 1.219 164 R HN -0.257 nan 8.270 nan 0.000 0.474 165 V N 0.658 120.340 119.914 -0.387 0.000 2.453 165 V HA -0.239 3.881 4.120 -0.000 0.000 0.252 165 V C 1.474 177.343 176.094 -0.375 0.000 1.068 165 V CA 1.993 64.004 62.300 -0.482 0.000 1.070 165 V CB -0.340 31.029 31.823 -0.756 0.000 0.664 165 V HN 0.641 nan 8.190 nan 0.000 0.461 166 W N -0.118 121.228 121.300 0.077 0.000 2.358 166 W HA -0.013 4.647 4.660 -0.000 0.000 0.303 166 W C 2.498 179.097 176.519 0.133 0.000 1.208 166 W CA 0.815 58.221 57.345 0.101 0.000 1.274 166 W CB -1.113 28.414 29.460 0.111 0.000 1.138 166 W HN 0.257 nan 8.180 nan 0.000 0.515 167 G N 0.515 109.499 108.800 0.307 0.000 2.408 167 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 167 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 167 G C 1.676 176.665 174.900 0.148 0.000 1.150 167 G CA 1.244 46.532 45.100 0.314 0.000 0.776 167 G HN 0.312 nan 8.290 nan 0.000 0.542 168 A N 0.688 123.546 122.820 0.064 0.000 1.902 168 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 168 A C 2.422 179.963 177.584 -0.072 0.000 1.181 168 A CA 1.238 53.267 52.037 -0.014 0.000 0.623 168 A CB -0.412 18.598 19.000 0.017 0.000 0.818 168 A HN 0.354 nan 8.150 nan 0.000 0.443 169 L N -0.970 120.248 121.223 -0.008 0.000 2.042 169 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 169 L C 2.892 179.710 176.870 -0.087 0.000 1.076 169 L CA 1.205 56.045 54.840 0.000 0.000 0.749 169 L CB -0.491 41.638 42.059 0.117 0.000 0.893 169 L HN 0.289 nan 8.230 nan 0.000 0.432 170 R N 0.141 120.607 120.500 -0.056 0.000 2.081 170 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 170 R C 2.286 178.268 176.300 -0.530 0.000 1.131 170 R CA 1.441 57.449 56.100 -0.154 0.000 0.960 170 R CB -1.433 28.938 30.300 0.119 0.000 0.856 170 R HN 0.414 nan 8.270 nan 0.000 0.436 171 G N 1.178 109.417 108.800 -0.934 0.000 2.422 171 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 171 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 171 G C 1.644 176.235 174.900 -0.516 0.000 1.146 171 G CA 0.315 44.686 45.100 -1.216 0.000 0.769 171 G HN 0.187 nan 8.290 nan 0.000 0.547 172 L N 0.045 121.007 121.223 -0.435 0.000 2.083 172 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 172 L C 2.798 179.299 176.870 -0.615 0.000 1.083 172 L CA 1.453 56.000 54.840 -0.488 0.000 0.752 172 L CB -0.253 41.438 42.059 -0.614 0.000 0.899 172 L HN 0.248 nan 8.230 nan 0.000 0.433 173 E N 0.087 119.956 120.200 -0.552 0.000 2.051 173 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 173 E C 2.012 178.550 176.600 -0.103 0.000 0.991 173 E CA 2.095 58.363 56.400 -0.220 0.000 0.799 173 E CB -0.273 29.413 29.700 -0.024 0.000 0.748 173 E HN 0.274 nan 8.360 nan 0.000 0.449 174 T N 0.470 114.939 114.554 -0.142 0.000 2.684 174 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 174 T C 1.531 176.229 174.700 -0.003 0.000 1.036 174 T CA 1.438 63.506 62.100 -0.052 0.000 1.148 174 T CB -0.668 68.202 68.868 0.004 0.000 0.863 174 T HN 0.278 nan 8.240 nan 0.000 0.436 175 F N 2.584 122.454 119.950 -0.132 0.000 2.126 175 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 175 F C 2.647 178.397 175.800 -0.084 0.000 1.096 175 F CA 1.691 59.637 58.000 -0.090 0.000 1.255 175 F CB -0.552 38.387 39.000 -0.102 0.000 0.997 175 F HN 0.230 nan 8.300 nan 0.000 0.479 176 S N -0.405 115.292 115.700 -0.006 0.000 2.399 176 S HA -0.246 4.224 4.470 -0.000 0.000 0.231 176 S C 1.762 176.279 174.600 -0.138 0.000 1.022 176 S CA 1.322 59.489 58.200 -0.055 0.000 0.983 176 S CB -0.766 62.551 63.200 0.196 0.000 0.803 176 S HN 0.688 nan 8.310 nan 0.000 0.480 177 Q N 0.389 120.129 119.800 -0.100 0.000 2.378 177 Q HA 0.236 4.576 4.340 -0.000 0.000 0.205 177 Q C 1.995 177.936 176.000 -0.099 0.000 0.954 177 Q CA 0.741 56.496 55.803 -0.080 0.000 0.901 177 Q CB -0.289 28.431 28.738 -0.031 0.000 0.981 177 Q HN 0.567 nan 8.270 nan 0.000 0.483 178 L N 0.017 121.138 121.223 -0.170 0.000 2.270 178 L HA 0.030 4.370 4.340 -0.000 0.000 0.210 178 L C 0.653 177.453 176.870 -0.116 0.000 1.104 178 L CA 0.052 54.804 54.840 -0.146 0.000 0.804 178 L CB 0.250 42.184 42.059 -0.208 0.000 0.937 178 L HN -0.039 nan 8.230 nan 0.000 0.450 179 V N 0.467 120.213 119.914 -0.281 0.000 2.583 179 V HA 0.097 4.217 4.120 -0.000 0.000 0.287 179 V C -0.379 175.695 176.094 -0.033 0.000 1.051 179 V CA -0.290 61.850 62.300 -0.267 0.000 1.010 179 V CB 0.291 31.833 31.823 -0.469 0.000 0.988 179 V HN 0.214 nan 8.190 nan 0.000 0.478 180 Y N 1.831 122.060 120.300 -0.119 0.000 2.655 180 Y HA 0.721 5.271 4.550 -0.000 0.000 0.336 180 Y C -0.710 175.116 175.900 -0.124 0.000 1.154 180 Y CA -1.527 56.507 58.100 -0.110 0.000 1.055 180 Y CB 1.464 39.856 38.460 -0.113 0.000 1.295 180 Y HN 0.468 nan 8.280 nan 0.000 0.465 181 Q N 2.308 122.068 119.800 -0.066 0.000 2.293 181 Q HA 0.259 4.599 4.340 -0.000 0.000 0.261 181 Q C -0.917 175.055 176.000 -0.047 0.000 0.960 181 Q CA -1.033 54.617 55.803 -0.256 0.000 0.882 181 Q CB 1.776 30.271 28.738 -0.405 0.000 1.275 181 Q HN 0.791 nan 8.270 nan 0.000 0.445 182 D N 0.298 120.653 120.400 -0.075 0.000 2.398 182 D HA 0.031 4.671 4.640 -0.000 0.000 0.264 182 D C 0.494 176.725 176.300 -0.115 0.000 1.263 182 D CA -0.326 53.671 54.000 -0.005 0.000 1.037 182 D CB 0.426 41.244 40.800 0.030 0.000 1.101 182 D HN 0.276 nan 8.370 nan 0.000 0.551 183 S N -1.568 114.001 115.700 -0.219 0.000 2.400 183 S HA -0.168 4.302 4.470 -0.000 0.000 0.232 183 S C 1.146 175.489 174.600 -0.428 0.000 1.025 183 S CA 0.943 58.909 58.200 -0.389 0.000 0.993 183 S CB -0.567 62.273 63.200 -0.599 0.000 0.808 183 S HN 0.475 nan 8.310 nan 0.000 0.478 184 Y N 0.371 120.637 120.300 -0.058 0.000 2.468 184 Y HA 0.376 4.926 4.550 -0.000 0.000 0.268 184 Y C 1.755 177.592 175.900 -0.106 0.000 1.177 184 Y CA -0.261 57.797 58.100 -0.070 0.000 1.265 184 Y CB -0.353 38.069 38.460 -0.065 0.000 1.103 184 Y HN 0.270 nan 8.280 nan 0.000 0.522 185 G N -0.300 108.464 108.800 -0.060 0.000 2.176 185 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 185 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 185 G C 0.270 174.995 174.900 -0.291 0.000 0.979 185 G CA 0.242 45.237 45.100 -0.176 0.000 0.641 185 G HN 0.270 nan 8.290 nan 0.000 0.530 186 T N 1.920 116.362 114.554 -0.187 0.000 2.799 186 T HA 0.442 4.792 4.350 -0.000 0.000 0.296 186 T C 0.334 174.880 174.700 -0.257 0.000 0.947 186 T CA 0.020 62.001 62.100 -0.198 0.000 1.141 186 T CB 0.371 69.123 68.868 -0.192 0.000 0.891 186 T HN 0.199 nan 8.240 nan 0.000 0.533 187 F N 3.030 122.933 119.950 -0.079 0.000 2.543 187 F HA 0.276 4.802 4.527 -0.000 0.000 0.375 187 F C 1.410 177.145 175.800 -0.108 0.000 1.075 187 F CA 0.082 58.026 58.000 -0.094 0.000 1.225 187 F CB 0.321 39.338 39.000 0.028 0.000 1.099 187 F HN 0.442 nan 8.300 nan 0.000 0.561 188 T N 5.123 119.560 114.554 -0.196 0.000 2.903 188 T HA 0.703 5.053 4.350 -0.000 0.000 0.299 188 T C -1.205 173.154 174.700 -0.569 0.000 1.093 188 T CA -0.669 61.222 62.100 -0.349 0.000 1.002 188 T CB 2.179 70.685 68.868 -0.603 0.000 1.127 188 T HN 0.513 nan 8.240 nan 0.000 0.488 189 I N 1.638 122.008 120.570 -0.333 0.000 2.775 189 I HA 0.431 4.600 4.170 -0.000 0.000 0.295 189 I C -1.533 174.550 176.117 -0.057 0.000 1.287 189 I CA -0.838 60.349 61.300 -0.188 0.000 1.029 189 I CB 2.106 39.989 38.000 -0.196 0.000 1.282 189 I HN 0.500 nan 8.210 nan 0.000 0.426 190 N N 5.120 123.854 118.700 0.057 0.000 2.520 190 N HA 0.149 4.889 4.740 -0.000 0.000 0.273 190 N C -0.723 174.804 175.510 0.028 0.000 1.155 190 N CA -0.217 52.865 53.050 0.053 0.000 0.967 190 N CB 0.751 39.287 38.487 0.082 0.000 1.092 190 N HN 0.514 nan 8.380 nan 0.000 0.457 191 E N 1.015 121.228 120.200 0.021 0.000 2.415 191 E HA 0.192 4.542 4.350 -0.000 0.000 0.263 191 E C -0.789 175.834 176.600 0.038 0.000 0.995 191 E CA 0.035 56.454 56.400 0.031 0.000 0.915 191 E CB 0.275 29.988 29.700 0.021 0.000 0.951 191 E HN 0.698 nan 8.360 nan 0.000 0.449 192 S N 2.402 118.133 115.700 0.051 0.000 2.615 192 S HA 0.415 4.885 4.470 -0.000 0.000 0.268 192 S C -1.011 173.627 174.600 0.064 0.000 1.146 192 S CA -1.032 57.198 58.200 0.051 0.000 0.818 192 S CB 1.960 65.190 63.200 0.050 0.000 1.111 192 S HN 0.335 nan 8.310 nan 0.000 0.465 193 T N 1.503 116.090 114.554 0.056 0.000 2.881 193 T HA 0.630 4.980 4.350 -0.000 0.000 0.291 193 T C -0.921 173.813 174.700 0.057 0.000 0.990 193 T CA -0.352 61.783 62.100 0.058 0.000 0.976 193 T CB 0.577 69.469 68.868 0.040 0.000 0.970 193 T HN 0.610 nan 8.240 nan 0.000 0.438 194 I N 3.711 124.327 120.570 0.077 0.000 2.465 194 I HA 0.549 4.719 4.170 -0.000 0.000 0.291 194 I C -0.774 175.352 176.117 0.015 0.000 1.014 194 I CA -0.931 60.408 61.300 0.065 0.000 1.093 194 I CB 1.972 40.052 38.000 0.134 0.000 1.267 194 I HN 0.471 nan 8.210 nan 0.000 0.431 195 I N 5.067 125.607 120.570 -0.050 0.000 2.436 195 I HA 0.442 4.612 4.170 -0.000 0.000 0.289 195 I C -1.142 174.855 176.117 -0.200 0.000 1.010 195 I CA -0.304 60.921 61.300 -0.124 0.000 1.098 195 I CB 1.878 39.836 38.000 -0.071 0.000 1.266 195 I HN 0.467 nan 8.210 nan 0.000 0.434 196 D N 3.818 123.979 120.400 -0.399 0.000 2.655 196 D HA 0.729 5.369 4.640 -0.000 0.000 0.229 196 D C -1.423 174.716 176.300 -0.269 0.000 1.229 196 D CA -0.101 53.705 54.000 -0.325 0.000 0.807 196 D CB 2.281 42.834 40.800 -0.412 0.000 1.514 196 D HN 0.568 nan 8.370 nan 0.000 0.444 197 S N 1.074 116.684 115.700 -0.148 0.000 2.586 197 S HA 0.667 5.137 4.470 -0.000 0.000 0.277 197 S C -3.102 171.000 174.600 -0.830 0.000 1.131 197 S CA -1.173 56.844 58.200 -0.306 0.000 0.848 197 S CB 1.968 65.031 63.200 -0.229 0.000 1.091 197 S HN 0.260 nan 8.310 nan 0.000 0.453 198 P HA 0.388 nan 4.420 nan 0.000 0.279 198 P C 0.407 177.255 177.300 -0.752 0.000 1.239 198 P CA -0.587 61.611 63.100 -1.502 0.000 0.789 198 P CB 1.214 32.201 31.700 -1.188 0.000 0.933 199 R N 1.676 121.767 120.500 -0.681 0.000 2.073 199 R HA -0.030 4.310 4.340 -0.000 0.000 0.234 199 R C -0.001 175.856 176.300 -0.738 0.000 1.134 199 R CA 1.433 57.128 56.100 -0.676 0.000 0.952 199 R CB -0.125 29.737 30.300 -0.730 0.000 0.850 199 R HN 0.396 nan 8.270 nan 0.000 0.433 200 F N -1.300 118.599 119.950 -0.084 0.000 2.546 200 F HA 0.235 4.762 4.527 -0.000 0.000 0.320 200 F C 1.157 176.948 175.800 -0.015 0.000 1.076 200 F CA -0.876 57.137 58.000 0.021 0.000 0.928 200 F CB 2.123 41.212 39.000 0.148 0.000 1.189 200 F HN -0.065 nan 8.300 nan 0.000 0.465 201 S N -0.715 115.119 115.700 0.222 0.000 2.478 201 S HA 0.003 4.473 4.470 -0.000 0.000 0.222 201 S C 0.302 174.979 174.600 0.128 0.000 1.008 201 S CA 0.430 58.698 58.200 0.114 0.000 0.928 201 S CB -0.598 62.650 63.200 0.081 0.000 0.781 201 S HN 0.708 nan 8.310 nan 0.000 0.518 202 H N 1.635 120.746 119.070 0.070 0.000 2.623 202 H HA 0.542 5.097 4.556 -0.000 0.000 0.299 202 H C -0.584 174.794 175.328 0.083 0.000 1.052 202 H CA -0.712 55.352 56.048 0.027 0.000 1.231 202 H CB 0.308 30.026 29.762 -0.072 0.000 1.389 202 H HN 0.134 nan 8.280 nan 0.000 0.469 203 R N 4.351 124.895 120.500 0.074 0.000 2.472 203 R HA 0.345 4.685 4.340 -0.000 0.000 0.294 203 R C -0.669 175.816 176.300 0.308 0.000 1.243 203 R CA -0.689 55.517 56.100 0.177 0.000 1.023 203 R CB 1.694 32.033 30.300 0.066 0.000 1.157 203 R HN 0.657 nan 8.270 nan 0.000 0.530 204 G N 2.387 111.419 108.800 0.386 0.000 2.511 204 G HA2 0.627 4.587 3.960 -0.000 0.000 0.318 204 G HA3 0.627 4.587 3.960 -0.000 0.000 0.318 204 G C -0.658 174.353 174.900 0.185 0.000 1.210 204 G CA -0.470 44.810 45.100 0.300 0.000 0.969 204 G HN 0.238 nan 8.290 nan 0.000 0.484 205 I N 0.929 121.479 120.570 -0.034 0.000 2.436 205 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 205 I C -0.445 175.563 176.117 -0.182 0.000 1.010 205 I CA -0.719 60.430 61.300 -0.252 0.000 1.098 205 I CB 1.520 39.273 38.000 -0.411 0.000 1.266 205 I HN 0.351 nan 8.210 nan 0.000 0.434 206 L N 7.966 129.009 121.223 -0.301 0.000 2.275 206 L HA 0.611 4.951 4.340 -0.000 0.000 0.288 206 L C -0.346 176.217 176.870 -0.511 0.000 1.046 206 L CA -0.438 54.124 54.840 -0.464 0.000 0.805 206 L CB 0.927 42.507 42.059 -0.799 0.000 1.193 206 L HN 0.581 nan 8.230 nan 0.000 0.426 207 I N 0.990 121.325 120.570 -0.392 0.000 2.648 207 I HA 0.585 4.755 4.170 -0.000 0.000 0.304 207 I C -1.207 174.766 176.117 -0.239 0.000 1.009 207 I CA -0.689 60.417 61.300 -0.323 0.000 1.114 207 I CB 1.926 39.756 38.000 -0.284 0.000 1.293 207 I HN 0.473 nan 8.210 nan 0.000 0.449 208 D N 3.373 123.678 120.400 -0.159 0.000 2.462 208 D HA 0.244 4.884 4.640 -0.000 0.000 0.245 208 D C 0.287 176.663 176.300 0.126 0.000 1.122 208 D CA -0.444 53.552 54.000 -0.007 0.000 0.864 208 D CB 1.663 42.421 40.800 -0.070 0.000 1.098 208 D HN 0.757 nan 8.370 nan 0.000 0.541 209 T N -0.095 114.602 114.554 0.239 0.000 3.186 209 T HA 0.133 4.483 4.350 -0.000 0.000 0.257 209 T C 1.205 176.106 174.700 0.335 0.000 1.029 209 T CA -0.011 62.286 62.100 0.328 0.000 0.916 209 T CB 0.361 69.546 68.868 0.529 0.000 1.041 209 T HN 0.134 nan 8.240 nan 0.000 0.562 210 S N 0.899 116.742 115.700 0.239 0.000 2.517 210 S HA 0.140 4.610 4.470 -0.000 0.000 0.228 210 S C 2.059 176.758 174.600 0.165 0.000 1.060 210 S CA -0.086 58.210 58.200 0.161 0.000 0.937 210 S CB -0.047 63.227 63.200 0.124 0.000 0.840 210 S HN 0.299 nan 8.310 nan 0.000 0.546 211 R N 0.706 121.272 120.500 0.110 0.000 2.105 211 R HA 0.170 4.510 4.340 -0.000 0.000 0.239 211 R C 0.120 176.290 176.300 -0.217 0.000 1.135 211 R CA 1.317 57.381 56.100 -0.059 0.000 0.967 211 R CB -0.479 29.733 30.300 -0.147 0.000 0.861 211 R HN 0.580 nan 8.270 nan 0.000 0.442 212 H N -3.067 116.152 119.070 0.247 0.000 2.894 212 H HA 0.211 4.767 4.556 -0.000 0.000 0.367 212 H C -1.531 174.005 175.328 0.346 0.000 1.144 212 H CA -1.093 55.112 56.048 0.262 0.000 1.180 212 H CB 1.506 31.343 29.762 0.125 0.000 1.758 212 H HN -0.025 nan 8.280 nan 0.000 0.541 213 Y N 3.054 123.612 120.300 0.431 0.000 2.425 213 Y HA 0.263 4.813 4.550 -0.000 0.000 0.331 213 Y C -0.981 175.100 175.900 0.301 0.000 1.157 213 Y CA -0.244 58.080 58.100 0.373 0.000 1.372 213 Y CB 0.399 39.099 38.460 0.400 0.000 1.253 213 Y HN 0.423 nan 8.280 nan 0.000 0.536 214 L N 9.162 130.237 121.223 -0.247 0.000 2.305 214 L HA 0.434 4.774 4.340 -0.000 0.000 0.284 214 L C -2.259 174.360 176.870 -0.419 0.000 1.013 214 L CA -2.353 52.373 54.840 -0.189 0.000 0.819 214 L CB 1.438 43.446 42.059 -0.086 0.000 1.227 214 L HN 0.563 nan 8.230 nan 0.000 0.417 215 P HA -0.007 nan 4.420 nan 0.000 0.267 215 P C 1.060 178.350 177.300 -0.017 0.000 1.200 215 P CA -0.251 62.849 63.100 0.000 0.000 0.772 215 P CB 0.883 32.630 31.700 0.078 0.000 0.855 216 V N 2.719 122.673 119.914 0.066 0.000 2.324 216 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 216 V C 2.413 178.449 176.094 -0.097 0.000 1.060 216 V CA 2.134 64.441 62.300 0.013 0.000 1.042 216 V CB -0.992 30.876 31.823 0.076 0.000 0.650 216 V HN 0.654 nan 8.190 nan 0.000 0.450 217 K N -0.340 120.020 120.400 -0.067 0.000 2.074 217 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 217 K C 2.044 178.578 176.600 -0.110 0.000 1.048 217 K CA 1.913 58.142 56.287 -0.096 0.000 0.926 217 K CB -0.291 32.182 32.500 -0.046 0.000 0.713 217 K HN 0.456 nan 8.250 nan 0.000 0.444 218 I N 0.398 120.917 120.570 -0.085 0.000 2.617 218 I HA -0.174 3.996 4.170 -0.000 0.000 0.256 218 I C 1.593 177.633 176.117 -0.128 0.000 1.167 218 I CA 0.690 61.941 61.300 -0.081 0.000 1.469 218 I CB 0.128 38.099 38.000 -0.049 0.000 1.098 218 I HN 0.220 nan 8.210 nan 0.000 0.436 219 I N 0.412 120.866 120.570 -0.193 0.000 2.252 219 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 219 I C 2.275 178.243 176.117 -0.249 0.000 1.102 219 I CA 1.313 62.443 61.300 -0.282 0.000 1.385 219 I CB -0.290 37.441 38.000 -0.448 0.000 1.064 219 I HN 0.203 nan 8.210 nan 0.000 0.414 220 L N 0.420 121.468 121.223 -0.291 0.000 2.046 220 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 220 L C 2.546 179.317 176.870 -0.166 0.000 1.077 220 L CA 1.429 56.023 54.840 -0.410 0.000 0.747 220 L CB -0.695 40.888 42.059 -0.794 0.000 0.896 220 L HN 0.199 nan 8.230 nan 0.000 0.432 221 K N -0.336 119.989 120.400 -0.124 0.000 2.097 221 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 221 K C 2.107 178.662 176.600 -0.075 0.000 1.049 221 K CA 1.743 57.989 56.287 -0.068 0.000 0.933 221 K CB -0.293 32.182 32.500 -0.040 0.000 0.717 221 K HN 0.289 nan 8.250 nan 0.000 0.442 222 T N 2.175 116.704 114.554 -0.042 0.000 2.746 222 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 222 T C 1.903 176.593 174.700 -0.017 0.000 1.039 222 T CA 1.040 63.162 62.100 0.037 0.000 1.142 222 T CB -0.181 68.685 68.868 -0.004 0.000 0.866 222 T HN 0.114 nan 8.240 nan 0.000 0.444 223 L N 0.886 122.085 121.223 -0.040 0.000 2.046 223 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 223 L C 2.558 179.355 176.870 -0.121 0.000 1.077 223 L CA 1.167 56.002 54.840 -0.007 0.000 0.747 223 L CB -0.587 41.547 42.059 0.125 0.000 0.896 223 L HN 0.197 nan 8.230 nan 0.000 0.432 224 D N 0.272 120.563 120.400 -0.182 0.000 2.097 224 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 224 D C 2.230 177.831 176.300 -1.166 0.000 0.989 224 D CA 1.621 55.279 54.000 -0.571 0.000 0.827 224 D CB 0.016 40.578 40.800 -0.397 0.000 0.966 224 D HN 0.336 nan 8.370 nan 0.000 0.456 225 A N 0.753 123.086 122.820 -0.811 0.000 1.933 225 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 225 A C 2.292 179.411 177.584 -0.775 0.000 1.175 225 A CA 1.293 52.753 52.037 -0.963 0.000 0.628 225 A CB -0.540 17.687 19.000 -1.289 0.000 0.814 225 A HN 0.150 nan 8.150 nan 0.000 0.444 226 M N -0.554 118.838 119.600 -0.347 0.000 2.117 226 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 226 M C 2.531 178.870 176.300 0.065 0.000 1.065 226 M CA 1.517 56.848 55.300 0.051 0.000 1.114 226 M CB -0.394 32.290 32.600 0.139 0.000 1.361 226 M HN 0.479 nan 8.290 nan 0.000 0.408 227 A N 0.241 122.988 122.820 -0.121 0.000 1.902 227 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 227 A C 1.756 179.389 177.584 0.081 0.000 1.181 227 A CA 1.467 53.486 52.037 -0.030 0.000 0.623 227 A CB -0.956 17.992 19.000 -0.088 0.000 0.818 227 A HN 0.434 nan 8.150 nan 0.000 0.443 228 F N 0.513 120.440 119.950 -0.038 0.000 2.333 228 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 228 F C 1.903 177.757 175.800 0.090 0.000 1.083 228 F CA 0.675 58.651 58.000 -0.039 0.000 1.395 228 F CB -0.685 38.188 39.000 -0.212 0.000 1.056 228 F HN 0.295 nan 8.300 nan 0.000 0.529 229 N N 0.082 118.947 118.700 0.274 0.000 2.205 229 N HA -0.007 4.733 4.740 -0.000 0.000 0.201 229 N C 0.141 175.755 175.510 0.174 0.000 1.128 229 N CA 0.105 53.366 53.050 0.352 0.000 0.867 229 N CB 0.302 39.145 38.487 0.593 0.000 0.996 229 N HN 0.190 nan 8.380 nan 0.000 0.503 230 K N 0.277 120.732 120.400 0.092 0.000 3.069 230 K HA -0.179 4.140 4.320 -0.000 0.000 0.267 230 K C -0.690 175.971 176.600 0.100 0.000 1.082 230 K CA 0.557 56.844 56.287 -0.001 0.000 0.782 230 K CB -1.964 30.306 32.500 -0.383 0.000 1.230 230 K HN 0.116 nan 8.250 nan 0.000 0.488 231 F N 1.699 121.749 119.950 0.167 0.000 2.418 231 F HA 0.077 4.604 4.527 -0.000 0.000 0.341 231 F C 1.689 177.564 175.800 0.124 0.000 1.120 231 F CA 0.170 58.272 58.000 0.169 0.000 1.232 231 F CB 0.517 39.627 39.000 0.184 0.000 1.175 231 F HN 0.174 nan 8.300 nan 0.000 0.569 232 N N -0.093 118.760 118.700 0.256 0.000 2.143 232 N HA 0.137 4.877 4.740 -0.000 0.000 0.229 232 N C -1.273 174.262 175.510 0.042 0.000 1.294 232 N CA 0.172 53.303 53.050 0.135 0.000 0.883 232 N CB 0.319 38.868 38.487 0.104 0.000 1.148 232 N HN 0.176 nan 8.380 nan 0.000 0.511 233 V N 1.529 121.465 119.914 0.037 0.000 2.577 233 V HA 0.406 4.526 4.120 -0.000 0.000 0.303 233 V C -1.143 174.970 176.094 0.032 0.000 1.042 233 V CA -0.933 61.337 62.300 -0.050 0.000 0.872 233 V CB 2.166 33.794 31.823 -0.325 0.000 0.998 233 V HN 0.158 nan 8.190 nan 0.000 0.423 234 L N 4.793 126.042 121.223 0.043 0.000 2.259 234 L HA 0.472 4.812 4.340 -0.000 0.000 0.288 234 L C 0.055 176.990 176.870 0.109 0.000 1.051 234 L CA 0.108 54.969 54.840 0.035 0.000 0.824 234 L CB 0.472 42.526 42.059 -0.008 0.000 1.206 234 L HN 0.779 nan 8.230 nan 0.000 0.429 235 H N 5.362 124.421 119.070 -0.019 0.000 3.004 235 H HA 0.064 4.620 4.556 -0.000 0.000 0.267 235 H C -1.120 174.213 175.328 0.009 0.000 1.165 235 H CA -0.680 55.366 56.048 -0.003 0.000 1.450 235 H CB 0.371 30.124 29.762 -0.016 0.000 1.488 235 H HN 0.729 nan 8.280 nan 0.000 0.478 236 W N 7.158 128.477 121.300 0.031 0.000 2.360 236 W HA 0.092 4.752 4.660 -0.000 0.000 0.344 236 W C -0.650 175.764 176.519 -0.174 0.000 1.025 236 W CA -1.048 56.223 57.345 -0.124 0.000 1.480 236 W CB -0.836 28.530 29.460 -0.157 0.000 1.350 236 W HN 0.690 nan 8.180 nan 0.000 0.382 237 H N 5.735 124.814 119.070 0.016 0.000 3.045 237 H HA 0.083 4.639 4.556 -0.000 0.000 0.254 237 H C 1.500 176.760 175.328 -0.113 0.000 1.747 237 H CA 0.383 56.349 56.048 -0.136 0.000 1.444 237 H CB -0.001 29.607 29.762 -0.257 0.000 1.778 237 H HN 0.607 nan 8.280 nan 0.000 0.544 238 I N 3.393 123.658 120.570 -0.509 0.000 2.353 238 I HA -0.081 4.089 4.170 -0.000 0.000 0.248 238 I C -0.035 175.859 176.117 -0.371 0.000 1.119 238 I CA 0.662 61.603 61.300 -0.599 0.000 1.417 238 I CB 0.379 37.574 38.000 -1.342 0.000 1.078 238 I HN 0.389 nan 8.210 nan 0.000 0.421 239 V N -2.228 117.392 119.914 -0.490 0.000 3.001 239 V HA 0.640 4.760 4.120 -0.000 0.000 0.314 239 V C -0.815 175.244 176.094 -0.059 0.000 1.099 239 V CA -0.731 61.388 62.300 -0.301 0.000 0.989 239 V CB 1.892 33.362 31.823 -0.587 0.000 1.040 239 V HN 0.136 nan 8.190 nan 0.000 0.434 240 D N -0.086 120.400 120.400 0.144 0.000 2.992 240 D HA 0.173 4.813 4.640 -0.000 0.000 0.349 240 D C -0.107 176.348 176.300 0.259 0.000 1.393 240 D CA -0.179 53.974 54.000 0.256 0.000 0.887 240 D CB 2.102 43.060 40.800 0.264 0.000 1.447 240 D HN 0.578 nan 8.370 nan 0.000 0.524 241 D N -0.056 120.478 120.400 0.223 0.000 2.104 241 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 241 D C 1.679 178.032 176.300 0.087 0.000 0.994 241 D CA 1.702 55.791 54.000 0.150 0.000 0.830 241 D CB 0.137 41.002 40.800 0.108 0.000 0.959 241 D HN 0.256 nan 8.370 nan 0.000 0.452 242 Q N -0.049 119.780 119.800 0.048 0.000 2.172 242 Q HA 0.018 4.358 4.340 -0.000 0.000 0.200 242 Q C 0.518 176.388 176.000 -0.216 0.000 0.964 242 Q CA 0.462 56.255 55.803 -0.016 0.000 0.855 242 Q CB 0.315 29.081 28.738 0.048 0.000 0.918 242 Q HN 0.233 nan 8.270 nan 0.000 0.444 243 S N -1.911 113.658 115.700 -0.220 0.000 2.567 243 S HA 0.522 4.992 4.470 -0.000 0.000 0.270 243 S C -1.547 173.021 174.600 -0.052 0.000 1.152 243 S CA -0.987 57.003 58.200 -0.351 0.000 0.835 243 S CB 0.577 63.167 63.200 -1.017 0.000 1.115 243 S HN 0.091 nan 8.310 nan 0.000 0.459 244 F N 3.337 123.203 119.950 -0.140 0.000 2.453 244 F HA 0.528 5.055 4.527 -0.000 0.000 0.358 244 F C -2.022 173.786 175.800 0.013 0.000 1.129 244 F CA -1.989 55.974 58.000 -0.062 0.000 1.200 244 F CB 2.085 41.009 39.000 -0.127 0.000 1.431 244 F HN 0.465 nan 8.300 nan 0.000 0.503 245 P HA -0.135 nan 4.420 nan 0.000 0.236 245 P C 0.075 177.547 177.300 0.286 0.000 1.177 245 P CA 0.525 63.746 63.100 0.202 0.000 0.773 245 P CB -0.148 31.751 31.700 0.332 0.000 0.878 246 Y N 2.643 122.968 120.300 0.042 0.000 2.605 246 Y HA 0.110 4.660 4.550 0.000 0.000 0.336 246 Y C 0.671 176.749 175.900 0.296 0.000 1.111 246 Y CA -0.519 57.660 58.100 0.132 0.000 1.422 246 Y CB -0.016 38.447 38.460 0.005 0.000 1.193 246 Y HN -0.092 nan 8.280 nan 0.000 0.526 247 Q N 5.512 125.109 119.800 -0.339 0.000 2.361 247 Q HA 0.201 4.541 4.340 -0.000 0.000 0.250 247 Q C -0.607 174.967 176.000 -0.710 0.000 1.023 247 Q CA -0.305 55.306 55.803 -0.321 0.000 0.915 247 Q CB 0.506 29.162 28.738 -0.138 0.000 1.238 247 Q HN 0.748 nan 8.270 nan 0.000 0.451 248 S N 4.138 119.580 115.700 -0.430 0.000 2.513 248 S HA 0.241 4.711 4.470 -0.000 0.000 0.276 248 S C 1.080 175.612 174.600 -0.115 0.000 1.254 248 S CA -0.538 57.514 58.200 -0.247 0.000 1.053 248 S CB 0.558 63.886 63.200 0.213 0.000 0.958 248 S HN 0.789 nan 8.310 nan 0.000 0.491 249 I N 3.837 124.335 120.570 -0.120 0.000 2.233 249 I HA -0.134 4.036 4.170 -0.000 0.000 0.243 249 I C 2.674 178.713 176.117 -0.130 0.000 1.093 249 I CA 1.558 62.795 61.300 -0.105 0.000 1.380 249 I CB -0.535 37.408 38.000 -0.095 0.000 1.067 249 I HN 0.834 nan 8.210 nan 0.000 0.413 250 T N -1.338 113.104 114.554 -0.185 0.000 2.867 250 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 250 T C 0.574 174.917 174.700 -0.594 0.000 1.057 250 T CA 0.895 62.749 62.100 -0.409 0.000 1.136 250 T CB -0.347 68.197 68.868 -0.539 0.000 0.874 250 T HN 0.073 nan 8.240 nan 0.000 0.466 251 F N 1.837 121.809 119.950 0.036 0.000 2.550 251 F HA 0.442 4.969 4.527 -0.000 0.000 0.348 251 F C -2.163 173.634 175.800 -0.004 0.000 1.219 251 F CA -2.928 55.105 58.000 0.056 0.000 1.203 251 F CB 1.782 40.879 39.000 0.161 0.000 1.436 251 F HN -0.047 nan 8.300 nan 0.000 0.541 252 P HA -0.146 nan 4.420 nan 0.000 0.220 252 P C 1.290 178.598 177.300 0.014 0.000 1.148 252 P CA 1.286 64.399 63.100 0.023 0.000 0.803 252 P CB 0.395 32.093 31.700 -0.004 0.000 0.782 253 E N -0.550 119.667 120.200 0.028 0.000 2.347 253 E HA -0.043 4.307 4.350 -0.000 0.000 0.196 253 E C 2.047 178.583 176.600 -0.106 0.000 1.008 253 E CA 0.457 56.842 56.400 -0.025 0.000 0.852 253 E CB -0.758 28.933 29.700 -0.016 0.000 0.783 253 E HN 0.343 nan 8.360 nan 0.000 0.505 254 L N 1.096 122.221 121.223 -0.162 0.000 1.989 254 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 254 L C 2.609 179.270 176.870 -0.349 0.000 1.071 254 L CA 1.918 56.468 54.840 -0.484 0.000 0.749 254 L CB -0.672 40.892 42.059 -0.824 0.000 0.890 254 L HN 0.175 nan 8.230 nan 0.000 0.431 255 S N -0.870 114.791 115.700 -0.065 0.000 2.395 255 S HA -0.089 4.380 4.470 -0.000 0.000 0.225 255 S C 1.760 176.370 174.600 0.015 0.000 1.027 255 S CA 0.835 59.090 58.200 0.092 0.000 0.965 255 S CB -0.491 62.790 63.200 0.135 0.000 0.812 255 S HN 0.356 nan 8.310 nan 0.000 0.482 256 N N 2.272 120.962 118.700 -0.016 0.000 2.149 256 N HA -0.029 4.711 4.740 -0.000 0.000 0.188 256 N C 1.513 177.009 175.510 -0.024 0.000 1.019 256 N CA 1.441 54.481 53.050 -0.016 0.000 0.857 256 N CB -0.249 38.227 38.487 -0.019 0.000 0.997 256 N HN 0.610 nan 8.380 nan 0.000 0.426 257 K N -1.049 119.321 120.400 -0.051 0.000 2.348 257 K HA 0.209 4.529 4.320 -0.000 0.000 0.194 257 K C 1.644 178.209 176.600 -0.058 0.000 1.052 257 K CA 0.446 56.699 56.287 -0.056 0.000 1.004 257 K CB 0.548 33.000 32.500 -0.080 0.000 0.873 257 K HN 0.114 nan 8.250 nan 0.000 0.523 258 G N 1.117 109.878 108.800 -0.064 0.000 2.921 258 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.213 258 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.213 258 G C 0.455 175.353 174.900 -0.003 0.000 1.143 258 G CA -0.151 44.929 45.100 -0.033 0.000 0.764 258 G HN 0.255 nan 8.290 nan 0.000 0.542 259 S N -0.718 114.990 115.700 0.012 0.000 2.614 259 S HA 0.276 4.746 4.470 -0.000 0.000 0.265 259 S C 0.967 175.543 174.600 -0.041 0.000 1.303 259 S CA -0.510 57.682 58.200 -0.012 0.000 1.000 259 S CB 0.825 64.047 63.200 0.036 0.000 0.935 259 S HN 0.136 nan 8.310 nan 0.000 0.551 260 Y N 1.508 121.790 120.300 -0.029 0.000 2.181 260 Y HA 0.040 4.590 4.550 -0.000 0.000 0.288 260 Y C 1.745 177.595 175.900 -0.083 0.000 1.146 260 Y CA 1.204 59.230 58.100 -0.123 0.000 1.164 260 Y CB -0.535 37.715 38.460 -0.351 0.000 0.982 260 Y HN 1.000 nan 8.280 nan 0.000 0.515 261 S N -3.116 112.682 115.700 0.165 0.000 2.636 261 S HA 0.238 4.708 4.470 -0.000 0.000 0.268 261 S C 0.060 174.720 174.600 0.100 0.000 1.159 261 S CA -0.771 57.522 58.200 0.154 0.000 0.815 261 S CB 0.516 63.854 63.200 0.229 0.000 1.130 261 S HN -0.080 nan 8.310 nan 0.000 0.471 262 L N 2.074 123.322 121.223 0.041 0.000 2.127 262 L HA -0.012 4.328 4.340 -0.000 0.000 0.211 262 L C 2.793 179.617 176.870 -0.076 0.000 1.089 262 L CA 2.474 57.307 54.840 -0.013 0.000 0.757 262 L CB -0.811 41.240 42.059 -0.013 0.000 0.899 262 L HN 0.945 nan 8.230 nan 0.000 0.434 263 S N -2.815 112.811 115.700 -0.124 0.000 2.496 263 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 263 S C 0.834 175.089 174.600 -0.574 0.000 0.996 263 S CA 0.126 58.154 58.200 -0.288 0.000 0.927 263 S CB -0.673 62.335 63.200 -0.320 0.000 0.774 263 S HN 0.499 nan 8.310 nan 0.000 0.524 264 H N 0.883 119.656 119.070 -0.495 0.000 2.553 264 H HA 0.678 5.234 4.556 -0.000 0.000 0.222 264 H C -0.828 174.022 175.328 -0.797 0.000 1.779 264 H CA -0.229 55.163 56.048 -1.094 0.000 1.241 264 H CB 0.072 29.494 29.762 -0.566 0.000 1.647 264 H HN 0.114 nan 8.280 nan 0.000 0.523 265 V N 1.143 120.754 119.914 -0.506 0.000 3.007 265 V HA 0.217 4.337 4.120 -0.000 0.000 0.311 265 V C -1.051 174.998 176.094 -0.074 0.000 1.120 265 V CA -1.065 61.146 62.300 -0.149 0.000 0.980 265 V CB 2.024 33.816 31.823 -0.053 0.000 1.033 265 V HN 0.323 nan 8.190 nan 0.000 0.429 266 Y N 1.923 122.414 120.300 0.319 0.000 2.434 266 Y HA 0.479 5.029 4.550 -0.000 0.000 0.341 266 Y C 1.087 177.073 175.900 0.144 0.000 0.965 266 Y CA -0.746 57.532 58.100 0.296 0.000 1.205 266 Y CB 1.227 39.910 38.460 0.371 0.000 1.121 266 Y HN 0.758 nan 8.280 nan 0.000 0.507 267 T N 0.417 115.108 114.554 0.228 0.000 2.788 267 T HA 0.178 4.528 4.350 -0.000 0.000 0.287 267 T C -1.843 172.918 174.700 0.102 0.000 1.007 267 T CA -1.804 60.359 62.100 0.105 0.000 1.005 267 T CB 1.275 70.188 68.868 0.075 0.000 1.012 267 T HN 0.250 nan 8.240 nan 0.000 0.530 268 P HA -0.082 nan 4.420 nan 0.000 0.216 268 P C 1.433 178.760 177.300 0.046 0.000 1.150 268 P CA 0.987 64.099 63.100 0.020 0.000 0.837 268 P CB -0.069 31.621 31.700 -0.017 0.000 0.786 269 N N -0.890 117.844 118.700 0.055 0.000 2.166 269 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 269 N C 1.352 176.922 175.510 0.100 0.000 1.019 269 N CA 1.378 54.467 53.050 0.065 0.000 0.856 269 N CB -0.579 37.941 38.487 0.055 0.000 0.993 269 N HN -0.038 nan 8.380 nan 0.000 0.426 270 D N -0.501 119.987 120.400 0.146 0.000 2.104 270 D HA -0.119 4.521 4.640 -0.000 0.000 0.194 270 D C 2.006 178.440 176.300 0.224 0.000 0.994 270 D CA 0.855 54.980 54.000 0.209 0.000 0.830 270 D CB -0.458 40.553 40.800 0.351 0.000 0.959 270 D HN 0.092 nan 8.370 nan 0.000 0.452 271 V N 1.114 121.166 119.914 0.230 0.000 2.295 271 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 271 V C 2.532 178.691 176.094 0.108 0.000 1.049 271 V CA 1.580 64.007 62.300 0.212 0.000 1.024 271 V CB -0.376 31.487 31.823 0.066 0.000 0.648 271 V HN 0.128 nan 8.190 nan 0.000 0.447 272 R N -0.619 119.915 120.500 0.056 0.000 2.091 272 R HA -0.225 4.115 4.340 -0.000 0.000 0.238 272 R C 2.372 178.739 176.300 0.112 0.000 1.136 272 R CA 2.185 58.320 56.100 0.058 0.000 0.959 272 R CB -0.453 29.878 30.300 0.052 0.000 0.856 272 R HN 0.509 nan 8.270 nan 0.000 0.437 273 M N 0.575 120.242 119.600 0.111 0.000 2.117 273 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 273 M C 1.957 178.332 176.300 0.125 0.000 1.065 273 M CA 1.633 57.001 55.300 0.114 0.000 1.114 273 M CB 0.073 32.722 32.600 0.081 0.000 1.361 273 M HN -0.002 nan 8.290 nan 0.000 0.408 274 V N 0.872 120.847 119.914 0.103 0.000 2.343 274 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 274 V C 2.296 178.488 176.094 0.162 0.000 1.051 274 V CA 1.968 64.306 62.300 0.063 0.000 1.036 274 V CB -0.644 31.155 31.823 -0.040 0.000 0.654 274 V HN 0.526 nan 8.190 nan 0.000 0.451 275 I N -0.530 120.158 120.570 0.198 0.000 2.179 275 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 275 I C 2.718 179.020 176.117 0.309 0.000 1.088 275 I CA 1.406 62.852 61.300 0.243 0.000 1.357 275 I CB -0.362 37.738 38.000 0.166 0.000 1.051 275 I HN 0.284 nan 8.210 nan 0.000 0.409 276 E N 0.203 120.565 120.200 0.271 0.000 2.047 276 E HA -0.242 4.108 4.350 -0.000 0.000 0.191 276 E C 2.084 178.806 176.600 0.203 0.000 0.987 276 E CA 1.373 57.913 56.400 0.233 0.000 0.799 276 E CB -0.369 29.436 29.700 0.175 0.000 0.752 276 E HN 0.477 nan 8.360 nan 0.000 0.449 277 Y N 1.019 121.368 120.300 0.082 0.000 2.165 277 Y HA -0.288 4.262 4.550 -0.000 0.000 0.286 277 Y C 2.213 178.150 175.900 0.062 0.000 1.155 277 Y CA 2.011 60.142 58.100 0.052 0.000 1.164 277 Y CB -0.321 38.152 38.460 0.021 0.000 0.978 277 Y HN 0.071 nan 8.280 nan 0.000 0.513 278 A N 0.150 123.118 122.820 0.247 0.000 1.902 278 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 278 A C 2.352 180.031 177.584 0.159 0.000 1.181 278 A CA 1.738 53.880 52.037 0.176 0.000 0.623 278 A CB -0.799 18.309 19.000 0.180 0.000 0.818 278 A HN 0.505 nan 8.150 nan 0.000 0.443 279 R N -0.317 120.304 120.500 0.202 0.000 2.091 279 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 279 R C 1.844 178.246 176.300 0.169 0.000 1.136 279 R CA 1.615 57.838 56.100 0.204 0.000 0.959 279 R CB -0.436 29.939 30.300 0.124 0.000 0.856 279 R HN 0.542 nan 8.270 nan 0.000 0.437 280 L N -0.072 121.188 121.223 0.061 0.000 2.353 280 L HA -0.106 4.234 4.340 -0.000 0.000 0.220 280 L C 1.746 178.632 176.870 0.027 0.000 1.133 280 L CA 1.122 55.962 54.840 -0.001 0.000 0.798 280 L CB -0.092 41.908 42.059 -0.098 0.000 0.922 280 L HN 0.128 nan 8.230 nan 0.000 0.445 281 R N -0.477 120.057 120.500 0.056 0.000 2.468 281 R HA 0.214 4.554 4.340 -0.000 0.000 0.280 281 R C 1.051 177.467 176.300 0.194 0.000 0.963 281 R CA 0.464 56.620 56.100 0.094 0.000 1.083 281 R CB 0.654 30.964 30.300 0.015 0.000 1.200 281 R HN 0.240 nan 8.270 nan 0.000 0.541 282 G N 1.590 110.571 108.800 0.302 0.000 2.221 282 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.265 282 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.265 282 G C -0.008 174.975 174.900 0.138 0.000 1.041 282 G CA 0.040 45.355 45.100 0.359 0.000 0.807 282 G HN 0.273 nan 8.290 nan 0.000 0.502 283 I N 0.011 120.657 120.570 0.126 0.000 2.378 283 I HA 0.424 4.594 4.170 -0.000 0.000 0.291 283 I C 0.841 177.014 176.117 0.094 0.000 0.992 283 I CA -0.988 60.369 61.300 0.095 0.000 1.154 283 I CB 1.363 39.428 38.000 0.108 0.000 1.315 283 I HN 0.022 nan 8.210 nan 0.000 0.448 284 R N 4.377 124.907 120.500 0.050 0.000 2.441 284 R HA 0.500 4.840 4.340 -0.000 0.000 0.284 284 R C -0.938 175.423 176.300 0.101 0.000 1.070 284 R CA -0.595 55.547 56.100 0.070 0.000 1.047 284 R CB 1.345 31.651 30.300 0.010 0.000 1.016 284 R HN 0.335 nan 8.270 nan 0.000 0.477 285 V N 4.857 124.865 119.914 0.157 0.000 2.328 285 V HA 0.167 4.287 4.120 -0.000 0.000 0.278 285 V C -0.617 175.583 176.094 0.177 0.000 1.021 285 V CA -0.679 61.748 62.300 0.212 0.000 0.838 285 V CB 1.171 33.202 31.823 0.346 0.000 0.999 285 V HN 0.453 nan 8.190 nan 0.000 0.447 286 L N 9.815 131.099 121.223 0.102 0.000 2.259 286 L HA 0.631 4.971 4.340 -0.000 0.000 0.288 286 L C -2.273 174.553 176.870 -0.073 0.000 1.051 286 L CA -1.637 53.210 54.840 0.012 0.000 0.824 286 L CB 1.296 43.337 42.059 -0.029 0.000 1.206 286 L HN 0.360 nan 8.230 nan 0.000 0.429 287 P HA 0.200 nan 4.420 nan 0.000 0.284 287 P C -1.285 175.835 177.300 -0.299 0.000 1.253 287 P CA -0.348 62.405 63.100 -0.579 0.000 0.800 287 P CB 1.168 32.108 31.700 -1.265 0.000 0.961 288 E N 2.378 122.352 120.200 -0.378 0.000 2.191 288 E HA 0.394 4.744 4.350 -0.000 0.000 0.263 288 E C -1.547 174.780 176.600 -0.455 0.000 0.881 288 E CA -0.641 55.649 56.400 -0.183 0.000 0.757 288 E CB 0.685 30.365 29.700 -0.032 0.000 1.147 288 E HN 0.257 nan 8.360 nan 0.000 0.414 289 F N 3.340 123.374 119.950 0.140 0.000 2.451 289 F HA 0.184 4.711 4.527 -0.000 0.000 0.367 289 F C 0.120 176.206 175.800 0.475 0.000 1.100 289 F CA -0.904 57.301 58.000 0.341 0.000 1.171 289 F CB 0.895 40.204 39.000 0.516 0.000 1.405 289 F HN 0.366 nan 8.300 nan 0.000 0.482 290 D N 2.541 123.182 120.400 0.401 0.000 2.417 290 D HA 0.249 4.888 4.640 -0.000 0.000 0.250 290 D C 0.085 176.532 176.300 0.244 0.000 1.166 290 D CA 0.673 54.894 54.000 0.368 0.000 0.881 290 D CB 0.905 41.906 40.800 0.334 0.000 1.164 290 D HN 0.536 nan 8.370 nan 0.000 0.467 291 T N 0.594 115.289 114.554 0.235 0.000 2.843 291 T HA 0.511 4.861 4.350 -0.000 0.000 0.302 291 T C -2.429 172.406 174.700 0.225 0.000 1.232 291 T CA -1.171 60.971 62.100 0.071 0.000 1.009 291 T CB 2.140 71.070 68.868 0.103 0.000 1.254 291 T HN 0.063 nan 8.240 nan 0.000 0.504 292 P HA 0.220 nan 4.420 nan 0.000 0.235 292 P C 0.989 178.131 177.300 -0.263 0.000 1.177 292 P CA 0.416 63.345 63.100 -0.285 0.000 0.785 292 P CB -0.258 31.134 31.700 -0.514 0.000 0.885 293 G N -0.714 107.970 108.800 -0.192 0.000 2.588 293 G HA2 0.146 4.106 3.960 -0.000 0.000 0.281 293 G HA3 0.146 4.106 3.960 -0.000 0.000 0.281 293 G C -0.177 174.622 174.900 -0.169 0.000 1.236 293 G CA -0.182 44.747 45.100 -0.286 0.000 0.969 293 G HN 0.250 nan 8.290 nan 0.000 0.504 294 H N -1.670 117.331 119.070 -0.116 0.000 2.899 294 H HA -0.181 4.375 4.556 -0.000 0.000 0.282 294 H C 1.341 176.658 175.328 -0.018 0.000 1.198 294 H CA 1.433 57.459 56.048 -0.036 0.000 1.140 294 H CB -1.988 27.799 29.762 0.043 0.000 1.317 294 H HN 0.692 nan 8.280 nan 0.000 0.375 295 T N -3.033 111.473 114.554 -0.080 0.000 3.182 295 T HA 0.357 4.707 4.350 -0.000 0.000 0.277 295 T C 1.961 176.674 174.700 0.022 0.000 1.013 295 T CA -0.103 61.876 62.100 -0.202 0.000 0.900 295 T CB 0.280 68.753 68.868 -0.658 0.000 1.098 295 T HN 0.168 nan 8.240 nan 0.000 0.543 296 L N 2.011 123.263 121.223 0.047 0.000 2.043 296 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 296 L C 3.028 179.942 176.870 0.074 0.000 1.075 296 L CA 1.869 56.728 54.840 0.032 0.000 0.752 296 L CB -0.595 41.478 42.059 0.024 0.000 0.891 296 L HN 0.530 nan 8.230 nan 0.000 0.432 297 S N -1.514 114.295 115.700 0.182 0.000 2.447 297 S HA -0.180 4.290 4.470 -0.000 0.000 0.233 297 S C 1.511 176.197 174.600 0.144 0.000 1.006 297 S CA 0.483 58.778 58.200 0.158 0.000 0.957 297 S CB -0.625 62.694 63.200 0.198 0.000 0.773 297 S HN 0.448 nan 8.310 nan 0.000 0.507 298 W N 2.262 123.518 121.300 -0.073 0.000 2.436 298 W HA 0.324 4.984 4.660 0.000 0.000 0.284 298 W C 2.668 178.957 176.519 -0.384 0.000 1.225 298 W CA 0.098 57.277 57.345 -0.275 0.000 1.271 298 W CB -1.208 28.140 29.460 -0.187 0.000 1.114 298 W HN 0.427 nan 8.180 nan 0.000 0.559 299 G N 0.388 109.126 108.800 -0.104 0.000 2.470 299 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 299 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 299 G C 1.651 176.360 174.900 -0.319 0.000 1.121 299 G CA 0.720 45.639 45.100 -0.302 0.000 0.766 299 G HN 0.017 nan 8.290 nan 0.000 0.553 300 K N 0.629 120.890 120.400 -0.232 0.000 2.097 300 K HA -0.032 4.287 4.320 -0.000 0.000 0.206 300 K C 2.383 178.869 176.600 -0.190 0.000 1.049 300 K CA 1.239 57.410 56.287 -0.193 0.000 0.933 300 K CB -0.659 31.764 32.500 -0.128 0.000 0.717 300 K HN 0.314 nan 8.250 nan 0.000 0.442 301 G N -0.200 108.464 108.800 -0.227 0.000 3.044 301 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.223 301 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.223 301 G C 0.121 174.885 174.900 -0.227 0.000 1.123 301 G CA -0.053 44.925 45.100 -0.204 0.000 0.765 301 G HN 0.188 nan 8.290 nan 0.000 0.546 302 Q N 1.421 121.026 119.800 -0.325 0.000 2.394 302 Q HA 0.377 4.717 4.340 -0.000 0.000 0.261 302 Q C -0.555 175.229 176.000 -0.360 0.000 1.023 302 Q CA -0.652 54.901 55.803 -0.416 0.000 0.720 302 Q CB 0.739 28.997 28.738 -0.800 0.000 1.241 302 Q HN -0.128 nan 8.270 nan 0.000 0.483 303 K N 2.697 122.950 120.400 -0.246 0.000 2.295 303 K HA 0.139 4.459 4.320 -0.000 0.000 0.270 303 K C -0.279 176.208 176.600 -0.188 0.000 1.011 303 K CA 0.128 56.297 56.287 -0.196 0.000 0.953 303 K CB 0.493 32.925 32.500 -0.113 0.000 0.956 303 K HN 0.750 nan 8.250 nan 0.000 0.477 304 D N 0.319 120.626 120.400 -0.154 0.000 3.077 304 D HA -0.211 4.429 4.640 -0.000 0.000 0.217 304 D C 0.880 177.086 176.300 -0.156 0.000 1.162 304 D CA 0.734 54.670 54.000 -0.107 0.000 0.943 304 D CB -0.979 39.786 40.800 -0.059 0.000 1.122 304 D HN 0.422 nan 8.370 nan 0.000 0.413 305 L N -0.150 120.919 121.223 -0.255 0.000 2.068 305 L HA 0.112 4.452 4.340 -0.000 0.000 0.204 305 L C 0.874 177.619 176.870 -0.209 0.000 1.076 305 L CA 1.237 55.897 54.840 -0.299 0.000 0.753 305 L CB 0.045 41.820 42.059 -0.473 0.000 0.910 305 L HN 0.116 nan 8.230 nan 0.000 0.439 306 L N 0.363 121.463 121.223 -0.204 0.000 2.395 306 L HA 0.225 4.565 4.340 -0.000 0.000 0.269 306 L C 0.208 177.116 176.870 0.063 0.000 1.133 306 L CA -0.552 54.227 54.840 -0.102 0.000 0.812 306 L CB 0.745 42.706 42.059 -0.164 0.000 1.125 306 L HN -0.014 nan 8.230 nan 0.000 0.452 307 T N 3.294 117.915 114.554 0.112 0.000 2.799 307 T HA 0.168 4.518 4.350 -0.000 0.000 0.296 307 T C -2.314 172.461 174.700 0.124 0.000 0.947 307 T CA -0.847 61.342 62.100 0.148 0.000 1.141 307 T CB 0.520 69.537 68.868 0.249 0.000 0.891 307 T HN 0.319 nan 8.240 nan 0.000 0.533 308 P HA 0.240 nan 4.420 nan 0.000 0.271 308 P C -0.583 176.376 177.300 -0.568 0.000 1.216 308 P CA -0.480 62.412 63.100 -0.347 0.000 0.771 308 P CB 0.228 31.723 31.700 -0.342 0.000 0.864 309 c N 3.399 121.595 118.600 -0.673 0.000 2.365 309 c HA 0.568 5.138 4.570 -0.000 0.000 0.349 309 c C -0.369 173.253 174.090 -0.780 0.000 1.191 309 c CA -0.338 55.668 56.329 -0.538 0.000 2.114 309 c CB -0.098 42.227 42.510 -0.309 0.000 2.367 309 c HN 0.485 nan 8.230 nan 0.000 0.530 310 Y N 0.264 120.517 120.300 -0.079 0.000 2.409 310 Y HA 0.524 5.074 4.550 -0.000 0.000 0.343 310 Y C 0.623 176.490 175.900 -0.055 0.000 0.973 310 Y CA -0.245 57.814 58.100 -0.068 0.000 1.064 310 Y CB 1.570 40.005 38.460 -0.041 0.000 1.207 310 Y HN 0.680 nan 8.280 nan 0.000 0.452 317 D N -0.930 119.402 120.400 -0.114 0.000 2.621 317 D HA 0.491 5.131 4.640 -0.000 0.000 0.255 317 D C 0.352 176.530 176.300 -0.203 0.000 1.122 317 D CA -0.315 53.613 54.000 -0.121 0.000 1.096 317 D CB 1.945 42.688 40.800 -0.094 0.000 1.282 317 D HN 0.264 nan 8.370 nan 0.000 0.619 318 S N -0.957 114.603 115.700 -0.233 0.000 2.377 318 S HA 0.160 4.630 4.470 -0.000 0.000 0.223 318 S C -0.208 173.880 174.600 -0.853 0.000 1.030 318 S CA 0.773 58.660 58.200 -0.522 0.000 0.970 318 S CB 0.035 62.949 63.200 -0.477 0.000 0.830 318 S HN 0.268 nan 8.310 nan 0.000 0.473 319 F N -0.586 119.280 119.950 -0.141 0.000 2.565 319 F HA 0.662 5.189 4.527 -0.000 0.000 0.313 319 F C 0.663 176.369 175.800 -0.158 0.000 1.091 319 F CA -0.845 57.066 58.000 -0.148 0.000 0.915 319 F CB 1.542 40.470 39.000 -0.121 0.000 1.208 319 F HN 0.056 nan 8.300 nan 0.000 0.453 320 G N 0.870 109.678 108.800 0.013 0.000 3.135 320 G HA2 0.675 4.635 3.960 -0.000 0.000 0.159 320 G HA3 0.675 4.635 3.960 -0.000 0.000 0.159 320 G C -2.918 171.889 174.900 -0.155 0.000 1.244 320 G CA -1.564 43.459 45.100 -0.127 0.000 0.965 320 G HN 0.313 nan 8.290 nan 0.000 0.599 321 P HA 0.235 nan 4.420 nan 0.000 0.273 321 P C 0.121 177.363 177.300 -0.096 0.000 1.250 321 P CA -0.399 62.530 63.100 -0.284 0.000 0.793 321 P CB 0.559 31.938 31.700 -0.536 0.000 1.011 322 I N 1.184 121.648 120.570 -0.176 0.000 2.845 322 I HA -0.121 4.049 4.170 -0.000 0.000 0.296 322 I C 1.256 177.380 176.117 0.011 0.000 1.216 322 I CA 0.487 61.685 61.300 -0.169 0.000 1.438 322 I CB -0.152 37.657 38.000 -0.317 0.000 1.342 322 I HN 0.330 nan 8.210 nan 0.000 0.577 323 N N 9.364 128.055 118.700 -0.015 0.000 2.405 323 N HA 0.095 4.835 4.740 -0.000 0.000 0.260 323 N C -1.738 173.710 175.510 -0.103 0.000 1.152 323 N CA -1.725 51.318 53.050 -0.012 0.000 0.948 323 N CB 0.920 39.383 38.487 -0.040 0.000 1.111 323 N HN 0.310 nan 8.380 nan 0.000 0.485 324 P HA 0.072 nan 4.420 nan 0.000 0.257 324 P C 0.509 177.829 177.300 0.033 0.000 1.281 324 P CA 0.417 63.568 63.100 0.085 0.000 0.826 324 P CB -0.009 31.803 31.700 0.187 0.000 1.237 325 T N -3.478 110.878 114.554 -0.329 0.000 3.069 325 T HA 0.264 4.614 4.350 -0.000 0.000 0.252 325 T C 0.505 175.093 174.700 -0.187 0.000 1.053 325 T CA -0.135 61.545 62.100 -0.700 0.000 0.964 325 T CB -0.320 67.957 68.868 -0.985 0.000 1.005 325 T HN -0.050 nan 8.240 nan 0.000 0.532 326 L N 1.832 123.041 121.223 -0.022 0.000 2.329 326 L HA 0.526 4.866 4.340 -0.000 0.000 0.279 326 L C 0.817 177.788 176.870 0.168 0.000 1.014 326 L CA -1.117 53.750 54.840 0.046 0.000 0.814 326 L CB 1.435 43.485 42.059 -0.016 0.000 1.257 326 L HN -0.116 nan 8.230 nan 0.000 0.424 327 N N 0.716 119.531 118.700 0.192 0.000 2.149 327 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 327 N C 1.773 177.397 175.510 0.189 0.000 1.019 327 N CA 1.800 54.992 53.050 0.237 0.000 0.857 327 N CB -0.185 38.405 38.487 0.171 0.000 0.997 327 N HN 0.816 nan 8.380 nan 0.000 0.426 328 T N -2.715 111.906 114.554 0.112 0.000 2.803 328 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 328 T C 1.967 176.708 174.700 0.068 0.000 1.052 328 T CA 1.683 63.835 62.100 0.087 0.000 1.136 328 T CB -0.871 68.018 68.868 0.034 0.000 0.864 328 T HN 0.063 nan 8.240 nan 0.000 0.467 329 T N 1.144 115.681 114.554 -0.029 0.000 2.674 329 T HA -0.052 4.298 4.350 -0.000 0.000 0.265 329 T C 1.578 176.227 174.700 -0.085 0.000 1.039 329 T CA 1.633 63.647 62.100 -0.144 0.000 1.150 329 T CB -0.568 68.070 68.868 -0.383 0.000 0.864 329 T HN 0.554 nan 8.240 nan 0.000 0.427 330 Y N 0.965 121.381 120.300 0.194 0.000 2.314 330 Y HA 0.014 4.564 4.550 -0.000 0.000 0.293 330 Y C 2.954 178.960 175.900 0.176 0.000 1.129 330 Y CA 0.697 58.898 58.100 0.169 0.000 1.201 330 Y CB -0.746 37.776 38.460 0.103 0.000 0.999 330 Y HN 0.188 nan 8.280 nan 0.000 0.541 331 S N -0.011 115.863 115.700 0.290 0.000 2.383 331 S HA -0.229 4.240 4.470 -0.000 0.000 0.227 331 S C 2.013 176.780 174.600 0.278 0.000 1.026 331 S CA 1.190 59.539 58.200 0.247 0.000 0.981 331 S CB -0.700 62.628 63.200 0.213 0.000 0.818 331 S HN 0.468 nan 8.310 nan 0.000 0.472 332 F N 2.000 122.021 119.950 0.119 0.000 2.113 332 F HA 0.089 4.616 4.527 -0.000 0.000 0.297 332 F C 1.759 177.647 175.800 0.146 0.000 1.103 332 F CA 1.472 59.509 58.000 0.061 0.000 1.248 332 F CB -0.439 38.456 39.000 -0.175 0.000 0.999 332 F HN 0.192 nan 8.300 nan 0.000 0.475 333 L N -0.130 121.160 121.223 0.111 0.000 2.131 333 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 333 L C 2.339 179.362 176.870 0.255 0.000 1.092 333 L CA 1.591 56.513 54.840 0.138 0.000 0.759 333 L CB -1.165 41.124 42.059 0.383 0.000 0.903 333 L HN 0.196 nan 8.230 nan 0.000 0.435 334 T N -1.148 113.543 114.554 0.228 0.000 2.674 334 T HA -0.172 4.178 4.350 -0.000 0.000 0.265 334 T C 1.928 176.724 174.700 0.159 0.000 1.039 334 T CA 1.976 64.197 62.100 0.203 0.000 1.150 334 T CB -0.282 68.687 68.868 0.169 0.000 0.864 334 T HN 0.344 nan 8.240 nan 0.000 0.427 335 T N 1.856 116.500 114.554 0.150 0.000 2.708 335 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 335 T C 1.569 176.333 174.700 0.107 0.000 1.037 335 T CA 1.073 63.255 62.100 0.136 0.000 1.146 335 T CB -0.549 68.463 68.868 0.240 0.000 0.865 335 T HN 0.316 nan 8.240 nan 0.000 0.435 336 F N 1.269 121.149 119.950 -0.116 0.000 2.069 336 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 336 F C 1.726 177.323 175.800 -0.339 0.000 1.113 336 F CA 1.186 58.994 58.000 -0.320 0.000 1.214 336 F CB -0.536 37.966 39.000 -0.830 0.000 0.978 336 F HN 0.076 nan 8.300 nan 0.000 0.474 337 F N 0.603 120.540 119.950 -0.022 0.000 2.365 337 F HA -0.087 4.440 4.527 0.000 0.000 0.300 337 F C 2.263 177.986 175.800 -0.129 0.000 1.090 337 F CA 1.315 59.247 58.000 -0.113 0.000 1.408 337 F CB -0.850 38.168 39.000 0.030 0.000 1.060 337 F HN -0.057 nan 8.300 nan 0.000 0.534 338 K N 1.071 121.500 120.400 0.048 0.000 2.026 338 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 338 K C 2.062 178.624 176.600 -0.063 0.000 1.048 338 K CA 1.812 58.102 56.287 0.005 0.000 0.929 338 K CB -0.464 32.041 32.500 0.010 0.000 0.713 338 K HN 0.339 nan 8.250 nan 0.000 0.439 339 E N -0.098 120.016 120.200 -0.142 0.000 2.058 339 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 339 E C 1.791 178.288 176.600 -0.172 0.000 0.997 339 E CA 1.448 57.747 56.400 -0.169 0.000 0.801 339 E CB -0.057 29.514 29.700 -0.215 0.000 0.746 339 E HN 0.238 nan 8.360 nan 0.000 0.450 340 I N 1.817 122.203 120.570 -0.307 0.000 2.208 340 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 340 I C 2.753 178.902 176.117 0.053 0.000 1.097 340 I CA 1.650 62.847 61.300 -0.170 0.000 1.363 340 I CB -1.736 36.032 38.000 -0.385 0.000 1.051 340 I HN 0.243 nan 8.210 nan 0.000 0.413 341 S N 0.386 116.099 115.700 0.021 0.000 2.419 341 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 341 S C 1.697 176.302 174.600 0.008 0.000 1.016 341 S CA 1.144 59.363 58.200 0.031 0.000 0.974 341 S CB -0.429 62.780 63.200 0.015 0.000 0.786 341 S HN 0.580 nan 8.310 nan 0.000 0.492 342 E N 0.361 120.552 120.200 -0.015 0.000 2.190 342 E HA 0.091 4.441 4.350 -0.000 0.000 0.191 342 E C 2.014 178.580 176.600 -0.057 0.000 0.978 342 E CA 0.644 57.025 56.400 -0.033 0.000 0.839 342 E CB -0.025 29.651 29.700 -0.039 0.000 0.787 342 E HN 0.378 nan 8.360 nan 0.000 0.473 343 V N 0.694 120.569 119.914 -0.065 0.000 2.346 343 V HA -0.103 4.017 4.120 -0.000 0.000 0.244 343 V C 0.524 176.421 176.094 -0.328 0.000 1.037 343 V CA 1.141 63.327 62.300 -0.191 0.000 1.029 343 V CB -0.135 31.561 31.823 -0.212 0.000 0.663 343 V HN 0.087 nan 8.190 nan 0.000 0.454 344 F N 1.330 121.237 119.950 -0.070 0.000 2.371 344 F HA 0.376 4.903 4.527 0.000 0.000 0.363 344 F C -1.250 174.455 175.800 -0.157 0.000 1.122 344 F CA -2.192 55.757 58.000 -0.085 0.000 1.129 344 F CB 0.910 39.893 39.000 -0.028 0.000 1.173 344 F HN 0.061 nan 8.300 nan 0.000 0.489 345 P HA -0.115 nan 4.420 nan 0.000 0.226 345 P C 0.072 177.263 177.300 -0.181 0.000 1.153 345 P CA 0.604 63.504 63.100 -0.333 0.000 0.777 345 P CB 0.030 31.115 31.700 -1.026 0.000 0.794 346 D N -0.387 119.973 120.400 -0.066 0.000 2.449 346 D HA -0.046 4.594 4.640 -0.000 0.000 0.236 346 D C 1.481 177.784 176.300 0.006 0.000 1.149 346 D CA 0.252 54.263 54.000 0.018 0.000 0.878 346 D CB 0.626 41.481 40.800 0.092 0.000 1.198 346 D HN -0.010 nan 8.370 nan 0.000 0.446 347 Q N 1.190 120.986 119.800 -0.006 0.000 2.181 347 Q HA -0.086 4.254 4.340 -0.000 0.000 0.205 347 Q C -0.135 175.621 176.000 -0.406 0.000 0.980 347 Q CA 0.891 56.564 55.803 -0.216 0.000 0.862 347 Q CB 0.053 28.597 28.738 -0.323 0.000 0.905 347 Q HN 0.478 nan 8.270 nan 0.000 0.429 348 F N -0.296 119.636 119.950 -0.029 0.000 2.480 348 F HA 0.448 4.974 4.527 -0.000 0.000 0.329 348 F C -0.119 175.644 175.800 -0.062 0.000 1.091 348 F CA -0.920 57.047 58.000 -0.055 0.000 0.972 348 F CB 1.214 40.174 39.000 -0.067 0.000 1.150 348 F HN -0.187 nan 8.300 nan 0.000 0.467 349 I N 2.879 123.501 120.570 0.086 0.000 2.406 349 I HA 0.205 4.374 4.170 -0.000 0.000 0.290 349 I C -0.551 175.588 176.117 0.037 0.000 0.999 349 I CA -0.741 60.590 61.300 0.052 0.000 1.124 349 I CB 1.319 39.343 38.000 0.041 0.000 1.289 349 I HN 0.511 nan 8.210 nan 0.000 0.441 350 H N 7.232 126.264 119.070 -0.064 0.000 2.723 350 H HA 0.284 4.840 4.556 -0.000 0.000 0.294 350 H C 0.331 175.665 175.328 0.010 0.000 1.079 350 H CA 0.107 56.078 56.048 -0.129 0.000 1.411 350 H CB 1.282 30.868 29.762 -0.292 0.000 1.439 350 H HN 0.595 nan 8.280 nan 0.000 0.474 351 L N 4.287 125.614 121.223 0.173 0.000 2.591 351 L HA 0.118 4.458 4.340 -0.000 0.000 0.228 351 L C 1.808 178.894 176.870 0.359 0.000 1.133 351 L CA 0.485 55.462 54.840 0.228 0.000 0.880 351 L CB -0.129 41.957 42.059 0.046 0.000 1.033 351 L HN 0.923 nan 8.230 nan 0.000 0.450 352 G N 0.940 110.030 108.800 0.485 0.000 2.557 352 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.292 352 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.292 352 G C 0.852 176.102 174.900 0.584 0.000 1.162 352 G CA 0.122 45.579 45.100 0.595 0.000 0.964 352 G HN 0.804 nan 8.290 nan 0.000 0.541 353 G N -0.401 108.704 108.800 0.508 0.000 2.157 353 G HA2 0.026 3.986 3.960 -0.000 0.000 0.239 353 G HA3 0.026 3.986 3.960 -0.000 0.000 0.239 353 G C 0.151 175.286 174.900 0.392 0.000 0.982 353 G CA 1.272 46.619 45.100 0.412 0.000 0.650 353 G HN 2.064 nan 8.290 nan 0.000 0.527 354 D N 0.528 121.181 120.400 0.422 0.000 2.283 354 D HA 0.388 5.028 4.640 -0.000 0.000 0.248 354 D C 0.607 176.976 176.300 0.114 0.000 1.072 354 D CA 0.074 54.221 54.000 0.245 0.000 0.929 354 D CB 0.494 41.209 40.800 -0.142 0.000 1.182 354 D HN 0.486 nan 8.370 nan 0.000 0.433 355 E N -0.862 119.382 120.200 0.073 0.000 2.328 355 E HA -0.156 4.194 4.350 -0.000 0.000 0.233 355 E C -0.533 175.913 176.600 -0.257 0.000 1.219 355 E CA 0.055 56.410 56.400 -0.075 0.000 0.717 355 E CB -1.242 28.420 29.700 -0.063 0.000 1.210 355 E HN 0.294 nan 8.360 nan 0.000 0.381 356 V N 1.342 121.101 119.914 -0.259 0.000 2.479 356 V HA 0.011 4.131 4.120 -0.000 0.000 0.281 356 V C 0.843 176.515 176.094 -0.704 0.000 1.031 356 V CA 0.519 62.570 62.300 -0.415 0.000 1.038 356 V CB 0.962 32.639 31.823 -0.243 0.000 0.981 356 V HN 0.195 nan 8.190 nan 0.000 0.478 357 E N 3.426 123.244 120.200 -0.636 0.000 2.259 357 E HA 0.286 4.636 4.350 -0.000 0.000 0.281 357 E C -0.252 175.985 176.600 -0.604 0.000 1.027 357 E CA -0.303 55.733 56.400 -0.608 0.000 0.838 357 E CB 0.777 30.229 29.700 -0.412 0.000 1.066 357 E HN 0.588 nan 8.360 nan 0.000 0.401 358 F N 1.952 121.681 119.950 -0.367 0.000 2.754 358 F HA 0.135 4.662 4.527 -0.000 0.000 0.297 358 F C 1.666 177.202 175.800 -0.440 0.000 1.122 358 F CA 0.029 57.766 58.000 -0.438 0.000 1.400 358 F CB -0.216 38.633 39.000 -0.252 0.000 1.117 358 F HN 0.358 nan 8.300 nan 0.000 0.587 359 K N -0.230 120.078 120.400 -0.154 0.000 2.074 359 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 359 K C 2.312 178.839 176.600 -0.121 0.000 1.048 359 K CA 1.750 57.962 56.287 -0.124 0.000 0.926 359 K CB -0.714 31.725 32.500 -0.102 0.000 0.713 359 K HN 0.368 nan 8.250 nan 0.000 0.444 360 c N 0.165 118.666 118.600 -0.164 0.000 2.432 360 c HA -0.126 4.444 4.570 -0.000 0.000 0.277 360 c C 2.324 176.431 174.090 0.029 0.000 1.249 360 c CA 0.422 56.684 56.329 -0.111 0.000 1.725 360 c CB -1.100 41.304 42.510 -0.176 0.000 2.028 360 c HN 0.588 nan 8.230 nan 0.000 0.477 361 W N 0.973 122.169 121.300 -0.172 0.000 2.335 361 W HA -0.085 4.575 4.660 -0.000 0.000 0.311 361 W C 2.529 178.929 176.519 -0.199 0.000 1.213 361 W CA 1.561 58.798 57.345 -0.180 0.000 1.274 361 W CB -1.508 27.791 29.460 -0.268 0.000 1.148 361 W HN 0.520 nan 8.180 nan 0.000 0.498 362 E N 0.348 120.432 120.200 -0.194 0.000 2.118 362 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 362 E C 2.238 178.913 176.600 0.126 0.000 0.992 362 E CA 2.202 58.590 56.400 -0.020 0.000 0.804 362 E CB -0.203 29.461 29.700 -0.060 0.000 0.741 362 E HN 0.167 nan 8.360 nan 0.000 0.458 363 S N 0.224 115.983 115.700 0.099 0.000 2.481 363 S HA -0.084 4.385 4.470 -0.000 0.000 0.231 363 S C 0.871 175.626 174.600 0.257 0.000 0.996 363 S CA 0.098 58.388 58.200 0.149 0.000 0.942 363 S CB -0.100 63.172 63.200 0.120 0.000 0.768 363 S HN 0.128 nan 8.310 nan 0.000 0.520 364 N N 2.427 121.287 118.700 0.267 0.000 2.419 364 N HA 0.279 5.018 4.740 -0.000 0.000 0.264 364 N C -2.202 173.434 175.510 0.209 0.000 1.031 364 N CA -1.929 51.328 53.050 0.344 0.000 0.951 364 N CB 1.847 40.504 38.487 0.283 0.000 1.101 364 N HN 0.026 nan 8.380 nan 0.000 0.488 365 P HA -0.012 nan 4.420 nan 0.000 0.221 365 P C 0.697 178.041 177.300 0.075 0.000 1.150 365 P CA 1.187 64.323 63.100 0.060 0.000 0.800 365 P CB 0.559 32.245 31.700 -0.024 0.000 0.787 366 K N -0.645 119.810 120.400 0.092 0.000 2.155 366 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 366 K C 2.049 178.704 176.600 0.091 0.000 1.052 366 K CA 0.838 57.173 56.287 0.080 0.000 0.948 366 K CB -0.588 31.956 32.500 0.072 0.000 0.728 366 K HN 0.100 nan 8.250 nan 0.000 0.448 367 I N 0.739 121.371 120.570 0.103 0.000 2.353 367 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 367 I C 2.180 178.396 176.117 0.165 0.000 1.119 367 I CA 0.866 62.227 61.300 0.102 0.000 1.417 367 I CB -0.043 37.996 38.000 0.065 0.000 1.078 367 I HN 0.178 nan 8.210 nan 0.000 0.421 368 Q N 0.190 120.089 119.800 0.165 0.000 2.096 368 Q HA -0.300 4.040 4.340 -0.000 0.000 0.204 368 Q C 1.742 177.778 176.000 0.061 0.000 0.982 368 Q CA 2.045 57.926 55.803 0.130 0.000 0.850 368 Q CB -0.562 28.245 28.738 0.114 0.000 0.901 368 Q HN 0.519 nan 8.270 nan 0.000 0.422 369 D N -0.486 119.951 120.400 0.062 0.000 2.144 369 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 369 D C 1.596 177.905 176.300 0.014 0.000 0.984 369 D CA 0.640 54.657 54.000 0.028 0.000 0.834 369 D CB -0.143 40.681 40.800 0.041 0.000 0.955 369 D HN 0.144 nan 8.370 nan 0.000 0.465 370 F N 0.244 120.128 119.950 -0.110 0.000 2.146 370 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 370 F C 2.094 177.722 175.800 -0.287 0.000 1.096 370 F CA 1.009 58.895 58.000 -0.189 0.000 1.275 370 F CB -0.119 38.777 39.000 -0.175 0.000 1.008 370 F HN -0.049 nan 8.300 nan 0.000 0.480 371 M N -0.123 119.423 119.600 -0.090 0.000 2.108 371 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 371 M C 2.368 178.479 176.300 -0.315 0.000 1.066 371 M CA 1.504 56.671 55.300 -0.221 0.000 1.107 371 M CB -1.395 31.132 32.600 -0.122 0.000 1.356 371 M HN 0.181 nan 8.290 nan 0.000 0.406 372 R N 0.563 120.935 120.500 -0.214 0.000 2.082 372 R HA -0.204 4.136 4.340 -0.000 0.000 0.234 372 R C 2.119 178.244 176.300 -0.291 0.000 1.136 372 R CA 1.980 57.960 56.100 -0.200 0.000 0.935 372 R CB -0.301 29.924 30.300 -0.124 0.000 0.842 372 R HN 0.497 nan 8.270 nan 0.000 0.430 373 Q N -0.173 119.415 119.800 -0.353 0.000 2.096 373 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 373 Q C 1.886 177.548 176.000 -0.563 0.000 0.982 373 Q CA 1.478 57.032 55.803 -0.415 0.000 0.850 373 Q CB 0.047 28.514 28.738 -0.452 0.000 0.901 373 Q HN 0.184 nan 8.270 nan 0.000 0.422 374 K N -0.895 118.980 120.400 -0.875 0.000 2.459 374 K HA 0.042 4.362 4.320 -0.000 0.000 0.193 374 K C 0.919 177.010 176.600 -0.848 0.000 1.030 374 K CA 0.793 56.411 56.287 -1.116 0.000 1.026 374 K CB 0.590 31.848 32.500 -2.070 0.000 0.809 374 K HN 0.402 nan 8.250 nan 0.000 0.504 375 G N 1.681 110.157 108.800 -0.539 0.000 2.176 375 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.252 375 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.252 375 G C 0.363 175.221 174.900 -0.070 0.000 1.024 375 G CA -0.041 44.907 45.100 -0.253 0.000 0.755 375 G HN 0.212 nan 8.290 nan 0.000 0.507 376 F N 0.850 120.669 119.950 -0.219 0.000 2.811 376 F HA 0.365 4.891 4.527 -0.000 0.000 0.301 376 F C 2.237 177.894 175.800 -0.237 0.000 1.151 376 F CA 0.481 58.348 58.000 -0.222 0.000 1.412 376 F CB -0.659 38.182 39.000 -0.265 0.000 1.113 376 F HN 0.825 nan 8.300 nan 0.000 0.579 377 G N 1.087 109.855 108.800 -0.053 0.000 2.561 377 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.289 377 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.289 377 G C 0.906 175.694 174.900 -0.188 0.000 1.169 377 G CA 0.901 45.942 45.100 -0.098 0.000 0.980 377 G HN 0.462 nan 8.290 nan 0.000 0.550 378 T N -2.239 112.197 114.554 -0.196 0.000 3.215 378 T HA 0.439 4.789 4.350 -0.000 0.000 0.271 378 T C 0.120 174.592 174.700 -0.381 0.000 1.012 378 T CA 1.008 62.929 62.100 -0.298 0.000 0.899 378 T CB 0.642 69.477 68.868 -0.056 0.000 1.089 378 T HN 0.557 nan 8.240 nan 0.000 0.552 379 D N 0.946 121.133 120.400 -0.354 0.000 2.468 379 D HA 0.273 4.912 4.640 -0.000 0.000 0.218 379 D C 0.158 176.201 176.300 -0.428 0.000 1.155 379 D CA -1.324 52.513 54.000 -0.272 0.000 0.924 379 D CB -0.266 40.433 40.800 -0.168 0.000 1.029 379 D HN 0.204 nan 8.370 nan 0.000 0.515 380 F N 1.905 121.663 119.950 -0.320 0.000 2.451 380 F HA 0.008 4.535 4.527 -0.000 0.000 0.299 380 F C 2.190 177.606 175.800 -0.641 0.000 1.101 380 F CA 0.577 58.233 58.000 -0.572 0.000 1.436 380 F CB -0.027 38.412 39.000 -0.935 0.000 1.074 380 F HN 0.271 nan 8.300 nan 0.000 0.553 381 K N 0.452 120.673 120.400 -0.299 0.000 2.147 381 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 381 K C 1.894 178.447 176.600 -0.078 0.000 1.049 381 K CA 1.189 57.470 56.287 -0.010 0.000 0.936 381 K CB -0.161 32.386 32.500 0.079 0.000 0.722 381 K HN 0.257 nan 8.250 nan 0.000 0.446 382 K N 0.510 120.739 120.400 -0.285 0.000 2.148 382 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 382 K C 2.017 178.255 176.600 -0.604 0.000 1.050 382 K CA 0.697 56.627 56.287 -0.597 0.000 0.942 382 K CB -0.063 31.796 32.500 -1.070 0.000 0.724 382 K HN 0.019 nan 8.250 nan 0.000 0.446 383 L N 1.792 122.855 121.223 -0.266 0.000 2.072 383 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 383 L C 2.288 179.316 176.870 0.263 0.000 1.079 383 L CA 1.705 56.591 54.840 0.077 0.000 0.752 383 L CB -0.352 41.708 42.059 0.000 0.000 0.906 383 L HN 0.154 nan 8.230 nan 0.000 0.436 384 E N -1.052 119.365 120.200 0.360 0.000 2.085 384 E HA -0.219 4.130 4.350 -0.000 0.000 0.194 384 E C 2.043 178.888 176.600 0.408 0.000 0.994 384 E CA 1.527 58.257 56.400 0.551 0.000 0.801 384 E CB -0.009 30.052 29.700 0.603 0.000 0.743 384 E HN 0.552 nan 8.360 nan 0.000 0.453 385 S N 0.168 116.010 115.700 0.236 0.000 2.368 385 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 385 S C 1.489 176.204 174.600 0.193 0.000 1.030 385 S CA 1.099 59.395 58.200 0.159 0.000 0.999 385 S CB -0.481 62.743 63.200 0.040 0.000 0.844 385 S HN 0.414 nan 8.310 nan 0.000 0.459 386 F N 1.535 121.541 119.950 0.093 0.000 2.091 386 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 386 F C 2.108 178.041 175.800 0.221 0.000 1.103 386 F CA 1.692 59.797 58.000 0.175 0.000 1.228 386 F CB -0.686 38.513 39.000 0.330 0.000 0.984 386 F HN 0.268 nan 8.300 nan 0.000 0.477 387 Y N 0.599 121.055 120.300 0.260 0.000 2.070 387 Y HA -0.250 4.300 4.550 -0.000 0.000 0.280 387 Y C 2.399 178.383 175.900 0.141 0.000 1.148 387 Y CA 2.271 60.514 58.100 0.238 0.000 1.125 387 Y CB -0.880 37.796 38.460 0.361 0.000 0.975 387 Y HN 0.210 nan 8.280 nan 0.000 0.492 388 I N 0.095 120.719 120.570 0.091 0.000 2.493 388 I HA -0.298 3.872 4.170 -0.000 0.000 0.254 388 I C 2.179 178.221 176.117 -0.125 0.000 1.160 388 I CA 1.279 62.543 61.300 -0.060 0.000 1.445 388 I CB -0.258 37.843 38.000 0.169 0.000 1.086 388 I HN 0.436 nan 8.210 nan 0.000 0.433 389 Q N 0.422 120.162 119.800 -0.100 0.000 2.096 389 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 389 Q C 2.116 177.991 176.000 -0.208 0.000 0.982 389 Q CA 1.745 57.472 55.803 -0.127 0.000 0.850 389 Q CB -0.044 28.637 28.738 -0.096 0.000 0.901 389 Q HN 0.464 nan 8.270 nan 0.000 0.422 390 K N -0.226 119.975 120.400 -0.330 0.000 2.097 390 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 390 K C 2.032 178.495 176.600 -0.229 0.000 1.050 390 K CA 1.231 57.302 56.287 -0.360 0.000 0.938 390 K CB 0.041 32.151 32.500 -0.651 0.000 0.718 390 K HN 0.050 nan 8.250 nan 0.000 0.442 391 V N 1.752 121.507 119.914 -0.264 0.000 2.379 391 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 391 V C 2.194 178.161 176.094 -0.212 0.000 1.044 391 V CA 1.410 63.577 62.300 -0.222 0.000 1.036 391 V CB -0.431 31.218 31.823 -0.290 0.000 0.664 391 V HN 0.238 nan 8.190 nan 0.000 0.453 392 L N 0.065 121.179 121.223 -0.181 0.000 2.042 392 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 392 L C 2.335 179.133 176.870 -0.120 0.000 1.076 392 L CA 1.666 56.420 54.840 -0.143 0.000 0.749 392 L CB -0.741 41.257 42.059 -0.102 0.000 0.893 392 L HN 0.340 nan 8.230 nan 0.000 0.432 393 D N -0.050 120.281 120.400 -0.114 0.000 2.144 393 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 393 D C 2.280 178.535 176.300 -0.075 0.000 0.978 393 D CA 1.123 55.070 54.000 -0.088 0.000 0.833 393 D CB -0.080 40.663 40.800 -0.095 0.000 0.961 393 D HN 0.306 nan 8.370 nan 0.000 0.470 394 I N 0.770 121.293 120.570 -0.079 0.000 2.226 394 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 394 I C 2.092 178.173 176.117 -0.060 0.000 1.100 394 I CA 0.581 61.858 61.300 -0.039 0.000 1.374 394 I CB -0.036 37.971 38.000 0.011 0.000 1.057 394 I HN -0.017 nan 8.210 nan 0.000 0.413 395 I N 0.926 121.419 120.570 -0.129 0.000 2.226 395 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 395 I C 2.818 178.879 176.117 -0.095 0.000 1.100 395 I CA 1.677 62.893 61.300 -0.139 0.000 1.374 395 I CB -1.676 36.200 38.000 -0.206 0.000 1.057 395 I HN 0.177 nan 8.210 nan 0.000 0.413 396 A N 0.311 123.080 122.820 -0.084 0.000 1.933 396 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 396 A C 2.401 179.956 177.584 -0.048 0.000 1.175 396 A CA 2.216 54.215 52.037 -0.064 0.000 0.628 396 A CB -1.033 17.937 19.000 -0.051 0.000 0.814 396 A HN 0.420 nan 8.150 nan 0.000 0.444 397 T N 0.809 115.340 114.554 -0.039 0.000 2.788 397 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 397 T C 1.511 176.200 174.700 -0.019 0.000 1.044 397 T CA 1.431 63.517 62.100 -0.023 0.000 1.139 397 T CB -0.487 68.373 68.868 -0.013 0.000 0.867 397 T HN 0.733 nan 8.240 nan 0.000 0.454 398 I N -1.214 119.342 120.570 -0.023 0.000 3.806 398 I HA 0.274 4.444 4.170 -0.000 0.000 0.321 398 I C -0.377 175.718 176.117 -0.037 0.000 1.315 398 I CA -0.273 61.016 61.300 -0.019 0.000 1.148 398 I CB -0.476 37.523 38.000 -0.001 0.000 1.028 398 I HN 0.004 nan 8.210 nan 0.000 0.415 399 N N 2.008 120.678 118.700 -0.049 0.000 2.735 399 N HA -0.144 4.596 4.740 -0.000 0.000 0.248 399 N C -0.452 174.996 175.510 -0.103 0.000 1.083 399 N CA 1.009 54.019 53.050 -0.066 0.000 0.703 399 N CB -0.757 37.701 38.487 -0.048 0.000 1.005 399 N HN 0.591 nan 8.380 nan 0.000 0.550 400 K N 0.028 120.354 120.400 -0.123 0.000 2.238 400 K HA 0.680 5.000 4.320 -0.000 0.000 0.239 400 K C 0.923 177.375 176.600 -0.246 0.000 0.987 400 K CA -0.475 55.697 56.287 -0.190 0.000 0.857 400 K CB 1.433 33.851 32.500 -0.137 0.000 1.154 400 K HN 0.130 nan 8.250 nan 0.000 0.439 401 G N 0.040 108.581 108.800 -0.433 0.000 2.462 401 G HA2 0.427 4.387 3.960 -0.000 0.000 0.319 401 G HA3 0.427 4.387 3.960 -0.000 0.000 0.319 401 G C -0.777 174.063 174.900 -0.100 0.000 1.171 401 G CA -0.277 44.584 45.100 -0.398 0.000 0.920 401 G HN 0.343 nan 8.290 nan 0.000 0.499 402 S N -0.600 115.132 115.700 0.053 0.000 2.503 402 S HA 0.632 5.102 4.470 -0.000 0.000 0.301 402 S C -0.377 174.223 174.600 -0.000 0.000 1.087 402 S CA -0.378 57.825 58.200 0.006 0.000 1.042 402 S CB 1.280 64.433 63.200 -0.078 0.000 1.043 402 S HN 0.443 nan 8.310 nan 0.000 0.489 403 I N 1.994 122.447 120.570 -0.195 0.000 2.646 403 I HA 0.658 4.828 4.170 -0.000 0.000 0.299 403 I C -0.903 174.794 176.117 -0.700 0.000 1.036 403 I CA -0.933 60.063 61.300 -0.506 0.000 1.074 403 I CB 1.975 39.532 38.000 -0.738 0.000 1.258 403 I HN 0.247 nan 8.210 nan 0.000 0.430 404 V N 4.197 123.744 119.914 -0.611 0.000 2.888 404 V HA 0.367 4.487 4.120 -0.000 0.000 0.309 404 V C -1.123 174.889 176.094 -0.136 0.000 1.114 404 V CA -0.519 61.599 62.300 -0.303 0.000 0.940 404 V CB 2.571 34.330 31.823 -0.106 0.000 1.021 404 V HN 0.651 nan 8.190 nan 0.000 0.426 405 W N 2.924 124.391 121.300 0.279 0.000 2.126 405 W HA 0.206 4.866 4.660 -0.000 0.000 0.346 405 W C 1.735 178.443 176.519 0.315 0.000 1.279 405 W CA 0.221 57.791 57.345 0.375 0.000 1.259 405 W CB 0.521 30.216 29.460 0.391 0.000 1.133 405 W HN 0.763 nan 8.180 nan 0.000 0.592 406 Q N -0.004 120.187 119.800 0.652 0.000 2.234 406 Q HA -0.252 4.087 4.340 -0.000 0.000 0.206 406 Q C 1.188 177.403 176.000 0.358 0.000 0.980 406 Q CA 1.935 57.968 55.803 0.383 0.000 0.869 406 Q CB -0.256 28.628 28.738 0.242 0.000 0.912 406 Q HN 0.597 nan 8.270 nan 0.000 0.436 407 E N 0.945 121.380 120.200 0.391 0.000 2.171 407 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 407 E C 2.009 178.763 176.600 0.256 0.000 0.997 407 E CA 1.606 58.179 56.400 0.288 0.000 0.810 407 E CB -0.138 29.737 29.700 0.292 0.000 0.738 407 E HN 0.223 nan 8.360 nan 0.000 0.467 408 V N 0.401 120.484 119.914 0.282 0.000 2.343 408 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 408 V C 1.888 178.081 176.094 0.164 0.000 1.051 408 V CA 1.807 64.237 62.300 0.217 0.000 1.036 408 V CB -0.459 31.483 31.823 0.198 0.000 0.654 408 V HN 0.268 nan 8.190 nan 0.000 0.451 409 F N 1.518 121.492 119.950 0.039 0.000 2.113 409 F HA -0.150 4.377 4.527 -0.000 0.000 0.297 409 F C 2.209 178.031 175.800 0.036 0.000 1.103 409 F CA 1.967 59.962 58.000 -0.007 0.000 1.248 409 F CB -0.357 38.625 39.000 -0.030 0.000 0.999 409 F HN 0.207 nan 8.300 nan 0.000 0.475 410 D N 0.174 120.646 120.400 0.120 0.000 2.144 410 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 410 D C 1.364 177.647 176.300 -0.027 0.000 0.984 410 D CA 1.478 55.496 54.000 0.030 0.000 0.834 410 D CB -0.563 40.309 40.800 0.120 0.000 0.955 410 D HN 0.356 nan 8.370 nan 0.000 0.465 411 D N 0.340 120.762 120.400 0.036 0.000 2.324 411 D HA 0.022 4.662 4.640 -0.000 0.000 0.235 411 D C 0.150 176.443 176.300 -0.010 0.000 1.095 411 D CA 0.089 54.123 54.000 0.056 0.000 0.871 411 D CB -0.021 40.876 40.800 0.162 0.000 0.906 411 D HN 0.231 nan 8.370 nan 0.000 0.522 412 K N -0.835 119.502 120.400 -0.106 0.000 3.167 412 K HA -0.156 4.164 4.320 -0.000 0.000 0.272 412 K C -0.068 176.484 176.600 -0.080 0.000 1.137 412 K CA 0.393 56.595 56.287 -0.142 0.000 0.800 412 K CB -1.941 30.494 32.500 -0.109 0.000 1.253 412 K HN 0.240 nan 8.250 nan 0.000 0.497 413 A N 1.502 124.295 122.820 -0.046 0.000 2.425 413 A HA 0.197 4.517 4.320 -0.000 0.000 0.249 413 A C 0.292 177.862 177.584 -0.024 0.000 1.084 413 A CA -0.036 51.996 52.037 -0.008 0.000 0.781 413 A CB 0.359 19.377 19.000 0.030 0.000 1.019 413 A HN 0.257 nan 8.150 nan 0.000 0.490 414 K N 1.889 122.290 120.400 0.001 0.000 2.349 414 K HA 0.350 4.670 4.320 -0.000 0.000 0.289 414 K C -0.960 175.652 176.600 0.021 0.000 1.064 414 K CA 0.302 56.605 56.287 0.027 0.000 0.947 414 K CB 0.232 32.754 32.500 0.036 0.000 1.007 414 K HN 0.574 nan 8.250 nan 0.000 0.478 415 L N 2.546 123.788 121.223 0.033 0.000 2.325 415 L HA 0.464 4.804 4.340 -0.000 0.000 0.278 415 L C 0.309 177.278 176.870 0.164 0.000 1.023 415 L CA -1.003 53.826 54.840 -0.019 0.000 0.811 415 L CB 1.712 43.558 42.059 -0.355 0.000 1.249 415 L HN 0.593 nan 8.230 nan 0.000 0.431 416 A N 3.644 126.539 122.820 0.125 0.000 2.407 416 A HA 0.530 4.850 4.320 -0.000 0.000 0.248 416 A C -2.297 175.469 177.584 0.303 0.000 1.082 416 A CA -1.187 50.950 52.037 0.167 0.000 0.785 416 A CB -0.406 18.641 19.000 0.078 0.000 1.020 416 A HN 0.453 nan 8.150 nan 0.000 0.489 417 P HA 0.201 nan 4.420 nan 0.000 0.263 417 P C 1.045 178.460 177.300 0.192 0.000 1.175 417 P CA 2.030 65.245 63.100 0.192 0.000 0.761 417 P CB 0.501 32.241 31.700 0.066 0.000 0.794 418 G N 1.483 110.418 108.800 0.224 0.000 2.195 418 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.246 418 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.246 418 G C 0.304 175.339 174.900 0.225 0.000 0.984 418 G CA 0.071 45.289 45.100 0.197 0.000 0.633 418 G HN 0.606 nan 8.290 nan 0.000 0.525 419 T N 1.918 116.610 114.554 0.230 0.000 2.853 419 T HA 0.457 4.807 4.350 -0.000 0.000 0.298 419 T C 0.910 175.631 174.700 0.035 0.000 0.978 419 T CA 0.306 62.456 62.100 0.084 0.000 1.152 419 T CB 0.904 69.735 68.868 -0.061 0.000 0.914 419 T HN 0.347 nan 8.240 nan 0.000 0.539 420 I N 3.387 123.920 120.570 -0.061 0.000 2.395 420 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 420 I C 0.035 176.006 176.117 -0.244 0.000 1.023 420 I CA -0.722 60.470 61.300 -0.180 0.000 1.350 420 I CB 1.108 38.901 38.000 -0.345 0.000 1.409 420 I HN 0.249 nan 8.210 nan 0.000 0.507 421 V N 5.795 125.572 119.914 -0.228 0.000 2.435 421 V HA 0.252 4.372 4.120 -0.000 0.000 0.290 421 V C 0.008 175.996 176.094 -0.177 0.000 1.030 421 V CA -0.642 61.534 62.300 -0.207 0.000 0.881 421 V CB 1.566 33.239 31.823 -0.250 0.000 0.983 421 V HN 0.710 nan 8.190 nan 0.000 0.445 422 E N 3.550 123.702 120.200 -0.080 0.000 2.109 422 E HA 0.462 4.812 4.350 -0.000 0.000 0.278 422 E C -1.251 175.556 176.600 0.345 0.000 0.954 422 E CA -0.477 55.959 56.400 0.061 0.000 0.779 422 E CB 1.652 31.353 29.700 0.002 0.000 1.093 422 E HN 0.509 nan 8.360 nan 0.000 0.401 423 V N 7.649 127.690 119.914 0.212 0.000 2.368 423 V HA 0.114 4.234 4.120 -0.000 0.000 0.266 423 V C 0.475 176.731 176.094 0.270 0.000 1.045 423 V CA -0.274 62.135 62.300 0.182 0.000 0.899 423 V CB 0.272 32.100 31.823 0.008 0.000 1.006 423 V HN 0.832 nan 8.190 nan 0.000 0.470 424 W N 3.787 125.177 121.300 0.150 0.000 2.773 424 W HA 0.362 5.022 4.660 0.000 0.000 0.297 424 W C 0.086 176.479 176.519 -0.211 0.000 1.050 424 W CA -0.663 56.711 57.345 0.048 0.000 1.467 424 W CB 0.282 29.857 29.460 0.191 0.000 0.977 424 W HN 0.305 nan 8.180 nan 0.000 0.573 425 K N 2.554 122.381 120.400 -0.956 0.000 2.322 425 K HA 0.034 4.353 4.320 -0.000 0.000 0.283 425 K C 0.004 176.350 176.600 -0.423 0.000 1.042 425 K CA 0.144 55.841 56.287 -0.983 0.000 0.958 425 K CB 1.631 33.576 32.500 -0.926 0.000 0.984 425 K HN -0.199 nan 8.250 nan 0.000 0.473 426 D N 0.873 121.076 120.400 -0.329 0.000 2.312 426 D HA -0.081 4.559 4.640 -0.000 0.000 0.211 426 D C 0.098 176.385 176.300 -0.021 0.000 0.964 426 D CA 0.776 54.722 54.000 -0.090 0.000 0.877 426 D CB 0.370 41.122 40.800 -0.080 0.000 0.924 426 D HN 0.257 nan 8.370 nan 0.000 0.515 427 S N -0.268 115.363 115.700 -0.115 0.000 2.429 427 S HA 0.375 4.845 4.470 -0.000 0.000 0.292 427 S C 0.220 174.775 174.600 -0.075 0.000 1.183 427 S CA 0.170 58.315 58.200 -0.091 0.000 1.088 427 S CB -0.021 63.111 63.200 -0.112 0.000 1.018 427 S HN 0.393 nan 8.310 nan 0.000 0.511 428 A N 4.099 126.869 122.820 -0.084 0.000 2.610 428 A HA -0.230 4.090 4.320 -0.000 0.000 0.299 428 A C 0.635 178.163 177.584 -0.094 0.000 1.487 428 A CA 1.424 53.394 52.037 -0.112 0.000 0.743 428 A CB -2.585 16.371 19.000 -0.073 0.000 1.070 428 A HN 1.403 nan 8.150 nan 0.000 0.439 429 Y N -1.680 118.557 120.300 -0.105 0.000 2.224 429 Y HA 0.074 4.624 4.550 -0.000 0.000 0.289 429 Y C -0.413 175.420 175.900 -0.112 0.000 1.146 429 Y CA 1.079 59.106 58.100 -0.121 0.000 1.182 429 Y CB -1.802 36.575 38.460 -0.139 0.000 0.983 429 Y HN 0.402 nan 8.280 nan 0.000 0.524 430 P HA -0.153 nan 4.420 nan 0.000 0.215 430 P C 1.110 178.374 177.300 -0.059 0.000 1.153 430 P CA 2.424 65.442 63.100 -0.136 0.000 0.853 430 P CB -0.039 31.555 31.700 -0.177 0.000 0.788 431 E N -0.603 119.562 120.200 -0.058 0.000 2.153 431 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 431 E C 1.983 178.576 176.600 -0.011 0.000 0.988 431 E CA 0.711 57.105 56.400 -0.011 0.000 0.811 431 E CB -0.335 29.358 29.700 -0.013 0.000 0.746 431 E HN 0.260 nan 8.360 nan 0.000 0.466 432 E N 0.888 121.071 120.200 -0.029 0.000 2.077 432 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 432 E C 2.230 178.757 176.600 -0.122 0.000 0.989 432 E CA 0.697 57.081 56.400 -0.027 0.000 0.800 432 E CB -0.147 29.541 29.700 -0.019 0.000 0.746 432 E HN 0.288 nan 8.360 nan 0.000 0.452 433 L N 0.556 121.641 121.223 -0.229 0.000 2.042 433 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 433 L C 2.521 179.115 176.870 -0.460 0.000 1.076 433 L CA 1.117 55.652 54.840 -0.509 0.000 0.749 433 L CB -0.417 41.025 42.059 -1.028 0.000 0.893 433 L HN 0.019 nan 8.230 nan 0.000 0.432 434 S N -0.443 115.133 115.700 -0.207 0.000 2.348 434 S HA -0.171 4.299 4.470 -0.000 0.000 0.221 434 S C 2.062 176.707 174.600 0.075 0.000 1.033 434 S CA 1.177 59.441 58.200 0.107 0.000 1.010 434 S CB -0.252 63.056 63.200 0.181 0.000 0.891 434 S HN 0.341 nan 8.310 nan 0.000 0.442 435 R N 0.392 120.928 120.500 0.059 0.000 2.083 435 R HA -0.064 4.276 4.340 -0.000 0.000 0.237 435 R C 2.284 178.653 176.300 0.115 0.000 1.137 435 R CA 1.392 57.578 56.100 0.142 0.000 0.951 435 R CB -0.688 29.750 30.300 0.231 0.000 0.851 435 R HN 0.252 nan 8.270 nan 0.000 0.434 436 V N 0.747 120.572 119.914 -0.148 0.000 2.358 436 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 436 V C 2.518 178.562 176.094 -0.083 0.000 1.047 436 V CA 2.322 64.367 62.300 -0.424 0.000 1.035 436 V CB -0.693 30.768 31.823 -0.604 0.000 0.658 436 V HN 0.590 nan 8.190 nan 0.000 0.452 437 T N -1.253 113.282 114.554 -0.031 0.000 2.904 437 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 437 T C 1.928 176.667 174.700 0.065 0.000 1.059 437 T CA 1.182 63.311 62.100 0.049 0.000 1.137 437 T CB -0.404 68.550 68.868 0.143 0.000 0.879 437 T HN 0.438 nan 8.240 nan 0.000 0.467 438 A N 1.707 124.582 122.820 0.091 0.000 1.972 438 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 438 A C 2.505 180.132 177.584 0.071 0.000 1.169 438 A CA 1.672 53.762 52.037 0.089 0.000 0.635 438 A CB -0.902 18.164 19.000 0.111 0.000 0.810 438 A HN 0.523 nan 8.150 nan 0.000 0.446 439 S N -1.608 114.162 115.700 0.117 0.000 2.603 439 S HA 0.342 4.812 4.470 -0.000 0.000 0.220 439 S C 1.384 175.818 174.600 -0.278 0.000 0.967 439 S CA 0.830 59.084 58.200 0.090 0.000 0.920 439 S CB -0.050 63.436 63.200 0.477 0.000 0.773 439 S HN 1.597 nan 8.310 nan 0.000 0.529 440 G N 0.879 109.534 108.800 -0.242 0.000 2.157 440 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 440 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 440 G C -0.125 174.504 174.900 -0.452 0.000 0.979 440 G CA -0.389 44.498 45.100 -0.355 0.000 0.650 440 G HN 0.419 nan 8.290 nan 0.000 0.529 441 F N 1.355 121.299 119.950 -0.008 0.000 2.404 441 F HA 0.566 5.093 4.527 -0.000 0.000 0.339 441 F C -1.583 174.170 175.800 -0.078 0.000 1.105 441 F CA -2.776 55.198 58.000 -0.045 0.000 1.087 441 F CB 1.225 40.177 39.000 -0.080 0.000 1.143 441 F HN -0.179 nan 8.300 nan 0.000 0.491 442 P HA 0.138 nan 4.420 nan 0.000 0.269 442 P C -0.892 176.346 177.300 -0.103 0.000 1.215 442 P CA -0.056 63.036 63.100 -0.013 0.000 0.780 442 P CB 1.129 32.807 31.700 -0.038 0.000 0.898 443 V N 3.823 123.619 119.914 -0.197 0.000 2.876 443 V HA 0.559 4.679 4.120 -0.000 0.000 0.312 443 V C -0.944 174.829 176.094 -0.534 0.000 1.085 443 V CA -0.919 61.197 62.300 -0.306 0.000 0.945 443 V CB 1.790 33.466 31.823 -0.245 0.000 1.017 443 V HN 0.307 nan 8.190 nan 0.000 0.428 444 I N 5.633 125.913 120.570 -0.483 0.000 2.498 444 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 444 I C -1.145 174.797 176.117 -0.293 0.000 1.032 444 I CA -0.755 60.231 61.300 -0.524 0.000 1.073 444 I CB 1.939 39.634 38.000 -0.508 0.000 1.251 444 I HN 0.453 nan 8.210 nan 0.000 0.426 445 L N 6.006 127.091 121.223 -0.229 0.000 2.282 445 L HA 0.457 4.797 4.340 -0.000 0.000 0.288 445 L C 0.668 177.657 176.870 0.199 0.000 1.033 445 L CA 0.588 55.429 54.840 0.001 0.000 0.807 445 L CB 1.551 43.663 42.059 0.087 0.000 1.209 445 L HN 0.706 nan 8.230 nan 0.000 0.423 446 S N 2.490 118.326 115.700 0.225 0.000 2.687 446 S HA 0.243 4.713 4.470 -0.000 0.000 0.247 446 S C 1.524 176.281 174.600 0.261 0.000 1.050 446 S CA 0.191 58.641 58.200 0.417 0.000 1.063 446 S CB 0.058 63.633 63.200 0.625 0.000 1.039 446 S HN 0.713 nan 8.310 nan 0.000 0.580 447 A N 3.575 126.334 122.820 -0.102 0.000 1.903 447 A HA 0.002 4.322 4.320 -0.000 0.000 0.219 447 A C -0.050 177.336 177.584 -0.330 0.000 1.191 447 A CA 2.073 53.916 52.037 -0.323 0.000 0.638 447 A CB -1.795 16.874 19.000 -0.551 0.000 0.823 447 A HN 0.625 nan 8.150 nan 0.000 0.451 448 P HA 0.030 nan 4.420 nan 0.000 0.255 448 P C -0.405 176.867 177.300 -0.046 0.000 1.248 448 P CA 0.304 63.206 63.100 -0.331 0.000 0.807 448 P CB 0.061 31.422 31.700 -0.564 0.000 1.150 449 W N -0.302 121.103 121.300 0.176 0.000 1.639 449 W HA 0.292 4.952 4.660 -0.000 0.000 0.307 449 W C -0.631 175.958 176.519 0.116 0.000 0.809 449 W CA -0.898 56.457 57.345 0.016 0.000 2.583 449 W CB -0.604 28.860 29.460 0.006 0.000 2.213 449 W HN -0.103 nan 8.180 nan 0.000 0.549 450 Y N 1.677 122.084 120.300 0.177 0.000 2.691 450 Y HA 0.163 4.713 4.550 -0.000 0.000 0.338 450 Y C 1.505 177.487 175.900 0.136 0.000 1.148 450 Y CA -0.218 57.995 58.100 0.189 0.000 1.430 450 Y CB 0.073 38.678 38.460 0.242 0.000 1.303 450 Y HN -0.027 nan 8.280 nan 0.000 0.499 451 L N 1.566 122.795 121.223 0.011 0.000 2.465 451 L HA -0.128 4.212 4.340 -0.000 0.000 0.224 451 L C 1.733 178.643 176.870 0.066 0.000 1.145 451 L CA 0.845 55.678 54.840 -0.011 0.000 0.834 451 L CB -0.217 41.732 42.059 -0.183 0.000 0.944 451 L HN 0.546 nan 8.230 nan 0.000 0.451 452 D N 0.974 121.421 120.400 0.078 0.000 2.264 452 D HA -0.158 4.482 4.640 -0.000 0.000 0.208 452 D C 1.111 177.528 176.300 0.195 0.000 0.966 452 D CA 0.549 54.633 54.000 0.141 0.000 0.864 452 D CB -0.216 40.698 40.800 0.190 0.000 0.933 452 D HN 0.308 nan 8.370 nan 0.000 0.499 453 L N 2.622 123.991 121.223 0.244 0.000 2.384 453 L HA 0.266 4.606 4.340 -0.000 0.000 0.258 453 L C 0.768 177.767 176.870 0.215 0.000 1.266 453 L CA -0.631 54.345 54.840 0.226 0.000 1.162 453 L CB -0.473 41.744 42.059 0.263 0.000 1.375 453 L HN 0.054 nan 8.230 nan 0.000 0.420 454 I N -0.159 120.508 120.570 0.161 0.000 2.882 454 I HA 0.499 4.669 4.170 -0.000 0.000 0.286 454 I C 0.528 176.719 176.117 0.125 0.000 1.139 454 I CA 0.094 61.483 61.300 0.148 0.000 1.379 454 I CB 1.197 39.263 38.000 0.110 0.000 1.410 454 I HN 0.529 nan 8.210 nan 0.000 0.594 455 S N 3.095 118.870 115.700 0.125 0.000 2.615 455 S HA 0.386 4.855 4.470 -0.000 0.000 0.269 455 S C -1.014 173.674 174.600 0.147 0.000 1.161 455 S CA -0.879 57.394 58.200 0.122 0.000 0.817 455 S CB 0.941 64.199 63.200 0.097 0.000 1.131 455 S HN 0.754 nan 8.310 nan 0.000 0.467 456 Y N 1.818 122.141 120.300 0.040 0.000 2.411 456 Y HA 0.515 5.065 4.550 -0.000 0.000 0.333 456 Y C 0.927 176.856 175.900 0.049 0.000 1.186 456 Y CA 1.737 59.865 58.100 0.046 0.000 1.381 456 Y CB 0.127 38.608 38.460 0.036 0.000 1.273 456 Y HN 1.679 nan 8.280 nan 0.000 0.546 457 G N 4.421 112.794 108.800 -0.711 0.000 2.545 457 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 457 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 457 G C -0.809 173.987 174.900 -0.173 0.000 1.314 457 G CA -0.360 44.412 45.100 -0.546 0.000 0.906 457 G HN 0.725 nan 8.290 nan 0.000 0.563 458 Q N 1.390 121.116 119.800 -0.123 0.000 3.254 458 Q HA 0.160 4.500 4.340 -0.000 0.000 0.315 458 Q C 1.109 176.976 176.000 -0.221 0.000 1.405 458 Q CA 0.416 56.187 55.803 -0.053 0.000 0.966 458 Q CB 0.075 28.756 28.738 -0.095 0.000 1.706 458 Q HN 0.646 nan 8.270 nan 0.000 0.525 459 D N 0.432 120.759 120.400 -0.122 0.000 2.350 459 D HA -0.216 4.424 4.640 -0.000 0.000 0.216 459 D C 1.490 177.576 176.300 -0.356 0.000 0.968 459 D CA 0.387 54.225 54.000 -0.269 0.000 0.894 459 D CB -0.390 40.272 40.800 -0.230 0.000 0.909 459 D HN 0.679 nan 8.370 nan 0.000 0.520 460 W N 1.894 123.163 121.300 -0.052 0.000 2.350 460 W HA -0.122 4.538 4.660 -0.000 0.000 0.289 460 W C 1.502 178.122 176.519 0.168 0.000 1.215 460 W CA 0.449 57.878 57.345 0.140 0.000 1.236 460 W CB -0.843 28.713 29.460 0.160 0.000 1.130 460 W HN -0.042 nan 8.180 nan 0.000 0.541 461 R N 1.500 121.470 120.500 -0.884 0.000 2.081 461 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 461 R C 2.451 178.642 176.300 -0.181 0.000 1.131 461 R CA 2.284 57.897 56.100 -0.812 0.000 0.960 461 R CB -0.609 29.139 30.300 -0.921 0.000 0.856 461 R HN 0.282 nan 8.270 nan 0.000 0.436 462 K N 0.284 120.558 120.400 -0.210 0.000 2.057 462 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 462 K C 1.545 178.257 176.600 0.187 0.000 1.049 462 K CA 1.478 57.725 56.287 -0.067 0.000 0.931 462 K CB -0.261 32.145 32.500 -0.157 0.000 0.714 462 K HN 0.087 nan 8.250 nan 0.000 0.440 463 Y N 0.002 120.519 120.300 0.362 0.000 2.181 463 Y HA -0.182 4.368 4.550 -0.000 0.000 0.288 463 Y C 2.400 178.686 175.900 0.642 0.000 1.146 463 Y CA 0.927 59.389 58.100 0.604 0.000 1.164 463 Y CB -1.197 37.595 38.460 0.554 0.000 0.982 463 Y HN 0.178 nan 8.280 nan 0.000 0.515 464 Y N 0.991 121.613 120.300 0.536 0.000 2.242 464 Y HA -0.144 4.406 4.550 -0.000 0.000 0.291 464 Y C 2.055 178.168 175.900 0.355 0.000 1.137 464 Y CA 1.482 59.864 58.100 0.469 0.000 1.181 464 Y CB -0.199 38.569 38.460 0.513 0.000 0.989 464 Y HN -0.021 nan 8.280 nan 0.000 0.527 465 K N -0.123 120.483 120.400 0.343 0.000 2.439 465 K HA 0.013 4.333 4.320 -0.000 0.000 0.197 465 K C 0.237 176.948 176.600 0.184 0.000 1.041 465 K CA 0.232 56.640 56.287 0.201 0.000 0.970 465 K CB -0.073 32.517 32.500 0.150 0.000 0.773 465 K HN -0.005 nan 8.250 nan 0.000 0.479 466 V N 2.593 122.679 119.914 0.288 0.000 2.599 466 V HA -0.071 4.049 4.120 -0.000 0.000 0.300 466 V C 0.194 176.428 176.094 0.234 0.000 1.034 466 V CA 0.248 62.708 62.300 0.267 0.000 1.115 466 V CB 0.804 32.823 31.823 0.328 0.000 0.934 466 V HN 0.172 nan 8.190 nan 0.000 0.485 467 E N 8.296 128.590 120.200 0.158 0.000 2.101 467 E HA 0.397 4.746 4.350 -0.000 0.000 0.260 467 E C -2.019 174.646 176.600 0.110 0.000 0.897 467 E CA -2.537 53.938 56.400 0.125 0.000 0.744 467 E CB 1.704 31.443 29.700 0.064 0.000 1.140 467 E HN 0.308 nan 8.360 nan 0.000 0.419 468 P HA -0.070 nan 4.420 nan 0.000 0.220 468 P C 0.724 177.918 177.300 -0.177 0.000 1.148 468 P CA 0.867 63.944 63.100 -0.039 0.000 0.803 468 P CB 0.237 31.843 31.700 -0.156 0.000 0.782 469 L N -0.728 120.394 121.223 -0.168 0.000 2.612 469 L HA 0.091 4.431 4.340 -0.000 0.000 0.230 469 L C 0.135 176.842 176.870 -0.271 0.000 1.140 469 L CA 0.219 54.910 54.840 -0.249 0.000 0.896 469 L CB -0.593 41.335 42.059 -0.218 0.000 1.065 469 L HN -0.167 nan 8.230 nan 0.000 0.447 470 D N 1.956 122.322 120.400 -0.056 0.000 2.551 470 D HA 0.280 4.919 4.640 -0.000 0.000 0.223 470 D C -0.323 176.015 176.300 0.064 0.000 1.144 470 D CA 0.355 54.325 54.000 -0.049 0.000 1.025 470 D CB -0.155 40.638 40.800 -0.011 0.000 1.085 470 D HN 0.098 nan 8.370 nan 0.000 0.506 471 F N -2.116 117.798 119.950 -0.060 0.000 2.686 471 F HA 0.621 5.148 4.527 -0.000 0.000 0.311 471 F C 0.128 175.911 175.800 -0.028 0.000 1.128 471 F CA -1.676 56.295 58.000 -0.048 0.000 0.946 471 F CB 0.653 39.637 39.000 -0.027 0.000 1.336 471 F HN -0.032 nan 8.300 nan 0.000 0.457 472 G N 0.123 109.034 108.800 0.185 0.000 2.380 472 G HA2 0.549 4.509 3.960 -0.000 0.000 0.262 472 G HA3 0.549 4.509 3.960 -0.000 0.000 0.262 472 G C -0.272 174.697 174.900 0.115 0.000 1.243 472 G CA -0.021 45.123 45.100 0.073 0.000 0.865 472 G HN 1.603 nan 8.290 nan 0.000 0.513 473 G N 0.635 109.426 108.800 -0.014 0.000 2.340 473 G HA2 0.585 4.545 3.960 -0.000 0.000 0.298 473 G HA3 0.585 4.545 3.960 -0.000 0.000 0.298 473 G C -0.175 174.703 174.900 -0.036 0.000 1.498 473 G CA 0.038 45.153 45.100 0.025 0.000 0.847 473 G HN 1.106 nan 8.290 nan 0.000 0.594 474 T N -1.546 113.010 114.554 0.003 0.000 2.732 474 T HA 0.336 4.686 4.350 -0.000 0.000 0.287 474 T C 1.373 176.063 174.700 -0.017 0.000 0.993 474 T CA 0.353 62.448 62.100 -0.009 0.000 0.966 474 T CB 1.210 70.084 68.868 0.010 0.000 1.047 474 T HN 0.559 nan 8.240 nan 0.000 0.527 475 Q N -0.108 119.683 119.800 -0.015 0.000 2.084 475 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 475 Q C 2.438 178.450 176.000 0.020 0.000 0.978 475 Q CA 1.459 57.257 55.803 -0.009 0.000 0.844 475 Q CB -0.161 28.571 28.738 -0.009 0.000 0.898 475 Q HN 0.622 nan 8.270 nan 0.000 0.426 476 K N 0.324 120.739 120.400 0.026 0.000 2.147 476 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 476 K C 2.087 178.727 176.600 0.066 0.000 1.049 476 K CA 1.027 57.337 56.287 0.039 0.000 0.936 476 K CB 0.018 32.534 32.500 0.026 0.000 0.722 476 K HN 0.252 nan 8.250 nan 0.000 0.446 477 Q N 0.634 120.482 119.800 0.079 0.000 2.079 477 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 477 Q C 1.832 177.962 176.000 0.216 0.000 0.974 477 Q CA 1.456 57.343 55.803 0.141 0.000 0.840 477 Q CB 0.082 28.921 28.738 0.169 0.000 0.898 477 Q HN 0.193 nan 8.270 nan 0.000 0.430 478 K N 0.319 120.807 120.400 0.147 0.000 2.148 478 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 478 K C 2.011 178.752 176.600 0.234 0.000 1.050 478 K CA 0.962 57.352 56.287 0.171 0.000 0.942 478 K CB 0.065 32.544 32.500 -0.035 0.000 0.724 478 K HN 0.208 nan 8.250 nan 0.000 0.446 479 Q N 0.464 120.360 119.800 0.160 0.000 2.226 479 Q HA -0.078 4.262 4.340 -0.000 0.000 0.204 479 Q C 1.722 177.826 176.000 0.174 0.000 0.975 479 Q CA 0.881 56.777 55.803 0.155 0.000 0.866 479 Q CB 0.015 28.809 28.738 0.092 0.000 0.915 479 Q HN 0.305 nan 8.270 nan 0.000 0.440 480 L N -0.386 120.940 121.223 0.171 0.000 2.465 480 L HA -0.022 4.318 4.340 -0.000 0.000 0.224 480 L C 0.554 177.515 176.870 0.152 0.000 1.145 480 L CA -0.186 54.734 54.840 0.133 0.000 0.834 480 L CB -0.049 42.068 42.059 0.096 0.000 0.944 480 L HN 0.145 nan 8.230 nan 0.000 0.451 481 F N 1.652 121.675 119.950 0.121 0.000 2.466 481 F HA 0.119 4.646 4.527 -0.000 0.000 0.363 481 F C 1.236 177.075 175.800 0.064 0.000 1.109 481 F CA -0.447 57.597 58.000 0.074 0.000 1.161 481 F CB 0.462 39.562 39.000 0.166 0.000 1.117 481 F HN -0.036 nan 8.300 nan 0.000 0.539 482 I N 2.707 123.143 120.570 -0.225 0.000 3.968 482 I HA 0.618 4.788 4.170 -0.000 0.000 0.328 482 I C 0.827 176.901 176.117 -0.072 0.000 1.290 482 I CA 0.456 61.728 61.300 -0.046 0.000 1.163 482 I CB -0.269 37.681 38.000 -0.082 0.000 1.024 482 I HN 0.643 nan 8.210 nan 0.000 0.413 483 G N 0.334 108.836 108.800 -0.496 0.000 2.373 483 G HA2 0.428 4.388 3.960 -0.000 0.000 0.250 483 G HA3 0.428 4.388 3.960 -0.000 0.000 0.250 483 G C -0.910 173.806 174.900 -0.307 0.000 1.304 483 G CA -0.279 44.653 45.100 -0.280 0.000 0.948 483 G HN 0.593 nan 8.290 nan 0.000 0.474 484 G N -1.257 107.596 108.800 0.089 0.000 2.600 484 G HA2 0.701 4.661 3.960 -0.000 0.000 0.293 484 G HA3 0.701 4.661 3.960 -0.000 0.000 0.293 484 G C -1.771 173.348 174.900 0.363 0.000 1.408 484 G CA -0.241 45.019 45.100 0.267 0.000 0.782 484 G HN 0.715 nan 8.290 nan 0.000 0.482 485 E N -0.920 119.533 120.200 0.421 0.000 2.331 485 E HA 0.570 4.920 4.350 -0.000 0.000 0.275 485 E C -0.746 176.050 176.600 0.326 0.000 0.895 485 E CA -1.035 55.576 56.400 0.352 0.000 0.753 485 E CB 2.687 32.588 29.700 0.334 0.000 1.216 485 E HN 0.718 nan 8.360 nan 0.000 0.434 486 A N 1.687 124.577 122.820 0.116 0.000 2.260 486 A HA 0.466 4.786 4.320 -0.000 0.000 0.308 486 A C -0.487 176.993 177.584 -0.173 0.000 1.254 486 A CA -0.476 51.543 52.037 -0.030 0.000 0.874 486 A CB 0.167 19.034 19.000 -0.222 0.000 1.153 486 A HN 0.660 nan 8.150 nan 0.000 0.527 487 C N 2.793 121.964 119.300 -0.216 0.000 2.303 487 C HA 0.541 5.001 4.460 -0.000 0.000 0.326 487 C C 0.048 174.684 174.990 -0.591 0.000 1.285 487 C CA -0.308 58.388 59.018 -0.537 0.000 1.675 487 C CB 0.273 27.584 27.740 -0.716 0.000 2.289 487 C HN 0.797 nan 8.230 nan 0.000 0.512 488 L N 4.485 125.319 121.223 -0.649 0.000 2.435 488 L HA 0.470 4.810 4.340 -0.000 0.000 0.253 488 L C -0.617 175.965 176.870 -0.480 0.000 1.087 488 L CA -0.081 54.491 54.840 -0.448 0.000 0.950 488 L CB -0.193 41.655 42.059 -0.350 0.000 1.304 488 L HN 0.754 nan 8.230 nan 0.000 0.453 489 W N 2.361 123.477 121.300 -0.307 0.000 2.148 489 W HA 0.372 5.032 4.660 -0.000 0.000 0.347 489 W C 1.523 177.950 176.519 -0.152 0.000 1.288 489 W CA 0.273 57.444 57.345 -0.290 0.000 1.252 489 W CB 0.746 30.002 29.460 -0.339 0.000 1.156 489 W HN 0.613 nan 8.180 nan 0.000 0.580 490 G N 0.528 109.398 108.800 0.117 0.000 3.088 490 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.217 490 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.217 490 G C 0.997 175.907 174.900 0.017 0.000 1.159 490 G CA -0.077 45.075 45.100 0.086 0.000 0.760 490 G HN 0.490 nan 8.290 nan 0.000 0.550 491 E N 0.197 120.331 120.200 -0.109 0.000 2.097 491 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 491 E C 0.709 177.000 176.600 -0.516 0.000 1.000 491 E CA 1.338 57.472 56.400 -0.444 0.000 0.804 491 E CB -0.201 29.102 29.700 -0.662 0.000 0.740 491 E HN 0.660 nan 8.360 nan 0.000 0.454 492 Y N -1.377 119.027 120.300 0.173 0.000 2.636 492 Y HA 0.343 4.893 4.550 -0.000 0.000 0.260 492 Y C -0.467 175.531 175.900 0.163 0.000 1.177 492 Y CA -0.420 57.792 58.100 0.187 0.000 1.209 492 Y CB 0.877 39.403 38.460 0.110 0.000 1.166 492 Y HN -0.239 nan 8.280 nan 0.000 0.531 493 V N 1.923 122.015 119.914 0.297 0.000 2.531 493 V HA 0.440 4.560 4.120 -0.000 0.000 0.301 493 V C -0.746 175.415 176.094 0.113 0.000 1.034 493 V CA -0.712 61.684 62.300 0.159 0.000 0.865 493 V CB 1.834 33.722 31.823 0.108 0.000 0.995 493 V HN 0.305 nan 8.190 nan 0.000 0.424 494 D N 4.056 124.413 120.400 -0.072 0.000 2.867 494 D HA 0.526 5.165 4.640 -0.000 0.000 0.308 494 D C 0.987 177.259 176.300 -0.045 0.000 1.202 494 D CA 0.044 53.981 54.000 -0.106 0.000 1.035 494 D CB 1.418 41.999 40.800 -0.365 0.000 1.427 494 D HN 0.442 nan 8.370 nan 0.000 0.570 495 A N -0.641 122.164 122.820 -0.025 0.000 2.070 495 A HA -0.071 4.249 4.320 -0.000 0.000 0.220 495 A C 1.918 179.496 177.584 -0.011 0.000 1.159 495 A CA 2.724 54.756 52.037 -0.008 0.000 0.656 495 A CB -1.454 17.552 19.000 0.011 0.000 0.800 495 A HN 0.730 nan 8.150 nan 0.000 0.453 496 T N -1.454 113.085 114.554 -0.024 0.000 2.995 496 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 496 T C 1.065 175.763 174.700 -0.003 0.000 1.091 496 T CA 1.383 63.475 62.100 -0.013 0.000 1.128 496 T CB -0.301 68.554 68.868 -0.021 0.000 0.891 496 T HN 0.668 nan 8.240 nan 0.000 0.492 497 N N -0.232 118.465 118.700 -0.004 0.000 2.116 497 N HA 0.170 4.910 4.740 -0.000 0.000 0.230 497 N C 1.160 176.674 175.510 0.008 0.000 1.326 497 N CA -0.151 52.905 53.050 0.010 0.000 0.867 497 N CB -0.518 37.981 38.487 0.020 0.000 1.174 497 N HN 0.398 nan 8.380 nan 0.000 0.506 498 L N 0.920 122.141 121.223 -0.003 0.000 1.976 498 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 498 L C 1.806 178.664 176.870 -0.021 0.000 1.071 498 L CA 1.860 56.686 54.840 -0.022 0.000 0.746 498 L CB -0.703 41.338 42.059 -0.030 0.000 0.890 498 L HN 0.079 nan 8.230 nan 0.000 0.432 499 T N 0.644 115.218 114.554 0.033 0.000 2.674 499 T HA -0.078 4.272 4.350 -0.000 0.000 0.265 499 T C -0.696 174.077 174.700 0.122 0.000 1.039 499 T CA 1.811 63.984 62.100 0.122 0.000 1.150 499 T CB -1.168 67.781 68.868 0.136 0.000 0.864 499 T HN 0.381 nan 8.240 nan 0.000 0.427 500 P HA -0.057 nan 4.420 nan 0.000 0.217 500 P C 1.426 178.749 177.300 0.037 0.000 1.150 500 P CA 1.213 64.351 63.100 0.065 0.000 0.832 500 P CB -0.049 31.679 31.700 0.047 0.000 0.787 501 R N -0.440 120.064 120.500 0.007 0.000 2.096 501 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 501 R C 2.420 178.664 176.300 -0.093 0.000 1.127 501 R CA 0.956 57.049 56.100 -0.012 0.000 0.968 501 R CB -0.824 29.471 30.300 -0.008 0.000 0.861 501 R HN 0.141 nan 8.270 nan 0.000 0.440 502 L N -0.613 120.475 121.223 -0.225 0.000 2.095 502 L HA 0.009 4.349 4.340 -0.000 0.000 0.204 502 L C -0.140 176.321 176.870 -0.682 0.000 1.080 502 L CA 0.782 55.279 54.840 -0.571 0.000 0.759 502 L CB 0.124 41.655 42.059 -0.880 0.000 0.914 502 L HN 0.164 nan 8.230 nan 0.000 0.439 503 W N -0.447 120.831 121.300 -0.037 0.000 2.632 503 W HA 0.349 5.009 4.660 -0.000 0.000 0.328 503 W C -1.723 174.768 176.519 -0.048 0.000 1.044 503 W CA -1.545 55.774 57.345 -0.043 0.000 1.225 503 W CB 0.432 29.855 29.460 -0.063 0.000 1.396 503 W HN -0.179 nan 8.180 nan 0.000 0.499 504 P HA 0.084 nan 4.420 nan 0.000 0.261 504 P C 0.882 178.262 177.300 0.134 0.000 1.352 504 P CA 0.250 63.433 63.100 0.138 0.000 0.891 504 P CB 0.355 31.988 31.700 -0.111 0.000 1.383 505 R N 0.579 121.167 120.500 0.146 0.000 2.105 505 R HA -0.084 4.256 4.340 -0.000 0.000 0.239 505 R C 2.211 178.637 176.300 0.210 0.000 1.135 505 R CA 1.787 58.052 56.100 0.277 0.000 0.967 505 R CB -0.930 29.556 30.300 0.311 0.000 0.861 505 R HN 0.166 nan 8.270 nan 0.000 0.442 506 A N 0.531 123.333 122.820 -0.029 0.000 2.066 506 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 506 A C 2.110 179.934 177.584 0.399 0.000 1.157 506 A CA 1.206 53.196 52.037 -0.078 0.000 0.670 506 A CB -0.186 18.375 19.000 -0.732 0.000 0.804 506 A HN 0.209 nan 8.150 nan 0.000 0.453 507 S N 0.347 116.354 115.700 0.511 0.000 2.400 507 S HA -0.099 4.371 4.470 -0.000 0.000 0.232 507 S C 2.252 177.300 174.600 0.746 0.000 1.025 507 S CA 1.125 59.697 58.200 0.621 0.000 0.993 507 S CB -0.429 62.872 63.200 0.168 0.000 0.808 507 S HN 0.805 nan 8.310 nan 0.000 0.478 508 A N 1.277 124.471 122.820 0.625 0.000 1.908 508 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 508 A C 2.344 180.281 177.584 0.587 0.000 1.181 508 A CA 1.689 54.234 52.037 0.846 0.000 0.627 508 A CB -0.903 18.629 19.000 0.887 0.000 0.818 508 A HN 0.367 nan 8.150 nan 0.000 0.445 509 V N -0.157 119.925 119.914 0.279 0.000 2.358 509 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 509 V C 2.809 178.876 176.094 -0.045 0.000 1.047 509 V CA 1.788 63.988 62.300 -0.167 0.000 1.035 509 V CB -1.491 30.039 31.823 -0.488 0.000 0.658 509 V HN 0.609 nan 8.190 nan 0.000 0.452 510 G N -0.279 108.614 108.800 0.155 0.000 2.440 510 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 510 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 510 G C 1.525 176.412 174.900 -0.022 0.000 1.154 510 G CA 1.078 46.032 45.100 -0.243 0.000 0.767 510 G HN 0.593 nan 8.290 nan 0.000 0.552 511 E N -0.021 120.269 120.200 0.150 0.000 2.072 511 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 511 E C 2.509 179.117 176.600 0.014 0.000 0.985 511 E CA 0.978 57.334 56.400 -0.075 0.000 0.801 511 E CB -0.096 29.387 29.700 -0.360 0.000 0.750 511 E HN 0.233 nan 8.360 nan 0.000 0.452 512 R N 0.473 121.009 120.500 0.060 0.000 2.120 512 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 512 R C 2.078 178.482 176.300 0.172 0.000 1.123 512 R CA 1.354 57.491 56.100 0.060 0.000 0.975 512 R CB -0.438 29.936 30.300 0.123 0.000 0.866 512 R HN 0.319 nan 8.270 nan 0.000 0.446 513 L N -1.339 119.969 121.223 0.142 0.000 2.270 513 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 513 L C 2.204 179.211 176.870 0.227 0.000 1.104 513 L CA 0.551 55.566 54.840 0.292 0.000 0.804 513 L CB -0.415 41.734 42.059 0.150 0.000 0.937 513 L HN 0.348 nan 8.230 nan 0.000 0.450 514 W N 0.638 121.911 121.300 -0.045 0.000 2.539 514 W HA 0.093 4.753 4.660 -0.000 0.000 0.299 514 W C 1.044 177.495 176.519 -0.113 0.000 1.165 514 W CA 0.306 57.602 57.345 -0.081 0.000 1.400 514 W CB 0.037 29.428 29.460 -0.116 0.000 1.123 514 W HN -0.079 nan 8.180 nan 0.000 0.533 515 S N 1.390 117.190 115.700 0.167 0.000 2.608 515 S HA 0.126 4.596 4.470 -0.000 0.000 0.261 515 S C 0.275 174.829 174.600 -0.076 0.000 1.314 515 S CA -0.484 57.756 58.200 0.066 0.000 0.992 515 S CB 1.175 64.384 63.200 0.016 0.000 0.935 515 S HN 0.039 nan 8.310 nan 0.000 0.564 516 S N 1.312 116.965 115.700 -0.079 0.000 2.573 516 S HA 0.039 4.509 4.470 -0.000 0.000 0.277 516 S C 1.461 176.014 174.600 -0.078 0.000 1.346 516 S CA -0.519 57.617 58.200 -0.105 0.000 1.034 516 S CB 0.372 63.525 63.200 -0.078 0.000 0.879 516 S HN 0.748 nan 8.310 nan 0.000 0.528 517 K N 1.404 121.753 120.400 -0.084 0.000 2.113 517 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 517 K C 1.162 177.743 176.600 -0.031 0.000 1.047 517 K CA 1.972 58.231 56.287 -0.047 0.000 0.928 517 K CB -0.256 32.213 32.500 -0.051 0.000 0.716 517 K HN 0.773 nan 8.250 nan 0.000 0.446 518 D N -0.013 120.369 120.400 -0.030 0.000 2.349 518 D HA -0.057 4.583 4.640 -0.000 0.000 0.224 518 D C 0.233 176.538 176.300 0.008 0.000 1.029 518 D CA 0.066 54.060 54.000 -0.010 0.000 0.879 518 D CB -0.059 40.734 40.800 -0.011 0.000 0.906 518 D HN -0.068 nan 8.370 nan 0.000 0.528 519 V N 1.866 121.780 119.914 -0.001 0.000 2.364 519 V HA 0.173 4.293 4.120 -0.000 0.000 0.252 519 V C 1.123 177.255 176.094 0.064 0.000 1.075 519 V CA 0.073 62.392 62.300 0.032 0.000 1.033 519 V CB -0.451 31.376 31.823 0.007 0.000 1.116 519 V HN 0.371 nan 8.190 nan 0.000 0.488 520 R N 2.156 122.738 120.500 0.137 0.000 2.496 520 R HA 0.216 4.556 4.340 -0.000 0.000 0.369 520 R C 0.154 176.645 176.300 0.319 0.000 0.896 520 R CA -0.593 55.648 56.100 0.235 0.000 1.147 520 R CB 0.216 30.576 30.300 0.099 0.000 1.697 520 R HN 0.540 nan 8.270 nan 0.000 0.518 521 D N 1.873 122.416 120.400 0.238 0.000 2.434 521 D HA -0.006 4.634 4.640 -0.000 0.000 0.252 521 D C 0.890 177.333 176.300 0.238 0.000 1.185 521 D CA 0.127 54.242 54.000 0.193 0.000 0.886 521 D CB 0.930 41.811 40.800 0.135 0.000 1.148 521 D HN 0.045 nan 8.370 nan 0.000 0.483 522 M N 3.195 122.915 119.600 0.201 0.000 2.132 522 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 522 M C 1.351 177.783 176.300 0.220 0.000 1.065 522 M CA 1.184 56.599 55.300 0.191 0.000 1.122 522 M CB -0.833 31.822 32.600 0.092 0.000 1.365 522 M HN 0.408 nan 8.290 nan 0.000 0.411 523 D N 0.441 120.935 120.400 0.157 0.000 2.097 523 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 523 D C 1.666 178.092 176.300 0.210 0.000 0.989 523 D CA 1.434 55.532 54.000 0.163 0.000 0.827 523 D CB -0.426 40.432 40.800 0.095 0.000 0.966 523 D HN 0.390 nan 8.370 nan 0.000 0.456 524 D N 0.073 120.575 120.400 0.169 0.000 2.144 524 D HA -0.074 4.566 4.640 -0.000 0.000 0.199 524 D C 1.932 178.343 176.300 0.186 0.000 0.984 524 D CA 1.474 55.565 54.000 0.151 0.000 0.834 524 D CB -0.013 40.859 40.800 0.120 0.000 0.955 524 D HN 0.098 nan 8.370 nan 0.000 0.465 525 A N -0.585 122.371 122.820 0.227 0.000 1.902 525 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 525 A C 2.208 179.901 177.584 0.181 0.000 1.181 525 A CA 1.560 53.746 52.037 0.249 0.000 0.623 525 A CB -1.329 17.686 19.000 0.026 0.000 0.818 525 A HN 0.525 nan 8.150 nan 0.000 0.443 526 Y N 1.247 121.638 120.300 0.151 0.000 2.145 526 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 526 Y C 1.893 177.762 175.900 -0.052 0.000 1.145 526 Y CA 2.132 60.253 58.100 0.036 0.000 1.148 526 Y CB -0.197 38.386 38.460 0.205 0.000 0.981 526 Y HN 0.358 nan 8.280 nan 0.000 0.507 527 D N -0.154 120.281 120.400 0.059 0.000 2.117 527 D HA -0.150 4.489 4.640 -0.000 0.000 0.197 527 D C 2.254 178.484 176.300 -0.118 0.000 0.987 527 D CA 1.488 55.458 54.000 -0.051 0.000 0.829 527 D CB -0.276 40.560 40.800 0.059 0.000 0.961 527 D HN 0.424 nan 8.370 nan 0.000 0.460 528 R N -0.206 120.288 120.500 -0.011 0.000 2.090 528 R HA -0.019 4.321 4.340 -0.000 0.000 0.228 528 R C 2.193 178.452 176.300 -0.068 0.000 1.110 528 R CA 0.299 56.430 56.100 0.051 0.000 0.973 528 R CB -0.273 30.172 30.300 0.241 0.000 0.869 528 R HN 0.106 nan 8.270 nan 0.000 0.440 529 L N 1.104 122.140 121.223 -0.311 0.000 2.109 529 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 529 L C 2.248 178.754 176.870 -0.607 0.000 1.086 529 L CA 2.003 56.373 54.840 -0.784 0.000 0.760 529 L CB -0.698 40.590 42.059 -1.285 0.000 0.910 529 L HN 0.255 nan 8.230 nan 0.000 0.437 530 T N -3.043 111.153 114.554 -0.596 0.000 2.788 530 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 530 T C 2.050 176.539 174.700 -0.352 0.000 1.044 530 T CA 1.424 63.215 62.100 -0.514 0.000 1.139 530 T CB -0.439 68.068 68.868 -0.601 0.000 0.867 530 T HN 0.344 nan 8.240 nan 0.000 0.454 531 R N -0.087 120.241 120.500 -0.286 0.000 2.073 531 R HA 0.024 4.364 4.340 -0.000 0.000 0.229 531 R C 2.586 178.781 176.300 -0.175 0.000 1.120 531 R CA 1.355 57.329 56.100 -0.210 0.000 0.967 531 R CB -0.554 29.650 30.300 -0.160 0.000 0.862 531 R HN 0.522 nan 8.270 nan 0.000 0.436 532 H N 1.065 119.969 119.070 -0.277 0.000 2.387 532 H HA -0.053 4.503 4.556 -0.000 0.000 0.299 532 H C 2.157 177.301 175.328 -0.306 0.000 1.090 532 H CA 1.587 57.469 56.048 -0.276 0.000 1.332 532 H CB 0.072 29.633 29.762 -0.336 0.000 1.386 532 H HN -0.066 nan 8.280 nan 0.000 0.516 533 R N 0.072 120.351 120.500 -0.368 0.000 2.081 533 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 533 R C 2.177 178.298 176.300 -0.298 0.000 1.131 533 R CA 1.575 57.462 56.100 -0.355 0.000 0.960 533 R CB -1.088 29.031 30.300 -0.301 0.000 0.856 533 R HN 0.470 nan 8.270 nan 0.000 0.436 534 c N 0.368 118.810 118.600 -0.263 0.000 2.425 534 c HA -0.043 4.527 4.570 -0.000 0.000 0.277 534 c C 2.889 176.839 174.090 -0.234 0.000 1.280 534 c CA 1.011 57.208 56.329 -0.220 0.000 1.744 534 c CB -1.108 41.276 42.510 -0.211 0.000 1.989 534 c HN 0.553 nan 8.230 nan 0.000 0.491 535 R N 0.537 120.870 120.500 -0.279 0.000 2.091 535 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 535 R C 2.207 178.267 176.300 -0.400 0.000 1.136 535 R CA 1.715 57.626 56.100 -0.316 0.000 0.959 535 R CB -0.320 29.791 30.300 -0.314 0.000 0.856 535 R HN 0.468 nan 8.270 nan 0.000 0.437 536 M N -0.118 119.205 119.600 -0.461 0.000 2.108 536 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 536 M C 2.222 178.375 176.300 -0.245 0.000 1.066 536 M CA 1.556 56.615 55.300 -0.400 0.000 1.107 536 M CB -0.113 32.244 32.600 -0.404 0.000 1.356 536 M HN 0.080 nan 8.290 nan 0.000 0.406 537 V N 0.439 120.233 119.914 -0.200 0.000 2.295 537 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 537 V C 2.018 178.045 176.094 -0.111 0.000 1.049 537 V CA 1.994 64.219 62.300 -0.126 0.000 1.024 537 V CB -0.771 30.988 31.823 -0.106 0.000 0.648 537 V HN 0.488 nan 8.190 nan 0.000 0.447 538 E N -0.113 120.003 120.200 -0.139 0.000 2.118 538 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 538 E C 2.145 178.687 176.600 -0.097 0.000 0.992 538 E CA 1.086 57.420 56.400 -0.110 0.000 0.804 538 E CB -0.169 29.454 29.700 -0.128 0.000 0.741 538 E HN 0.531 nan 8.360 nan 0.000 0.458 539 R N -0.547 119.853 120.500 -0.166 0.000 2.325 539 R HA 0.072 4.412 4.340 -0.000 0.000 0.214 539 R C 0.857 177.162 176.300 0.008 0.000 0.961 539 R CA 0.467 56.494 56.100 -0.121 0.000 1.086 539 R CB 0.434 30.465 30.300 -0.449 0.000 1.037 539 R HN 0.259 nan 8.270 nan 0.000 0.493 540 G N 0.891 109.685 108.800 -0.011 0.000 2.141 540 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 540 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 540 G C 0.032 174.936 174.900 0.006 0.000 0.982 540 G CA -0.440 44.669 45.100 0.015 0.000 0.662 540 G HN 0.167 nan 8.290 nan 0.000 0.527 541 I N 1.395 121.951 120.570 -0.024 0.000 2.307 541 I HA 0.548 4.717 4.170 -0.000 0.000 0.289 541 I C 1.071 177.166 176.117 -0.036 0.000 1.021 541 I CA -0.641 60.634 61.300 -0.042 0.000 1.224 541 I CB 0.889 38.818 38.000 -0.118 0.000 1.376 541 I HN 0.294 nan 8.210 nan 0.000 0.470 542 A N 6.163 128.986 122.820 0.005 0.000 3.051 542 A HA 0.483 4.802 4.320 -0.000 0.000 0.257 542 A C 0.979 178.586 177.584 0.038 0.000 1.785 542 A CA -0.332 51.713 52.037 0.012 0.000 1.420 542 A CB -0.723 18.290 19.000 0.022 0.000 1.063 542 A HN 0.778 nan 8.150 nan 0.000 0.630 543 A N 1.599 124.431 122.820 0.020 0.000 2.450 543 A HA 0.458 4.777 4.320 -0.000 0.000 0.255 543 A C 0.689 178.281 177.584 0.013 0.000 1.096 543 A CA -0.337 51.731 52.037 0.053 0.000 0.778 543 A CB 0.072 19.074 19.000 0.003 0.000 1.031 543 A HN 0.882 nan 8.150 nan 0.000 0.494 544 Q N 2.455 122.276 119.800 0.035 0.000 2.443 544 Q HA 0.471 4.811 4.340 -0.000 0.000 0.232 544 Q C -2.529 173.468 176.000 -0.004 0.000 1.026 544 Q CA -1.634 54.181 55.803 0.020 0.000 0.924 544 Q CB -0.116 28.647 28.738 0.042 0.000 1.256 544 Q HN 0.425 nan 8.270 nan 0.000 0.519 545 P HA 0.007 nan 4.420 nan 0.000 0.272 545 P C -0.294 177.023 177.300 0.027 0.000 1.230 545 P CA -0.257 62.839 63.100 -0.007 0.000 0.788 545 P CB 0.527 32.234 31.700 0.012 0.000 0.949 546 L N 0.308 121.546 121.223 0.026 0.000 2.202 546 L HA 0.179 4.519 4.340 -0.000 0.000 0.205 546 L C 0.699 177.774 176.870 0.342 0.000 1.083 546 L CA 1.609 56.527 54.840 0.130 0.000 0.790 546 L CB -0.543 41.515 42.059 -0.002 0.000 0.942 546 L HN 0.422 nan 8.230 nan 0.000 0.452 547 Y N -2.134 118.244 120.300 0.131 0.000 2.930 547 Y HA 0.575 5.125 4.550 -0.000 0.000 0.336 547 Y C -0.739 175.223 175.900 0.103 0.000 1.416 547 Y CA -1.537 56.645 58.100 0.137 0.000 1.091 547 Y CB 0.288 38.879 38.460 0.218 0.000 1.631 547 Y HN -0.198 nan 8.280 nan 0.000 0.436 548 A N 1.436 123.914 122.820 -0.570 0.000 2.555 548 A HA 0.499 4.819 4.320 -0.000 0.000 0.233 548 A C 0.659 178.231 177.584 -0.019 0.000 1.060 548 A CA 1.519 53.363 52.037 -0.323 0.000 0.759 548 A CB -1.067 17.642 19.000 -0.485 0.000 0.995 548 A HN 1.975 nan 8.150 nan 0.000 0.506 549 G N -0.106 108.715 108.800 0.035 0.000 2.356 549 G HA2 0.543 4.503 3.960 -0.000 0.000 0.266 549 G HA3 0.543 4.503 3.960 -0.000 0.000 0.266 549 G C -0.951 174.076 174.900 0.211 0.000 1.312 549 G CA 0.175 45.359 45.100 0.140 0.000 0.922 549 G HN 2.324 nan 8.290 nan 0.000 0.480 550 Y N -2.235 118.046 120.300 -0.032 0.000 2.689 550 Y HA 0.784 5.333 4.550 -0.000 0.000 0.333 550 Y C -0.488 175.380 175.900 -0.054 0.000 1.208 550 Y CA -1.757 56.318 58.100 -0.041 0.000 1.055 550 Y CB 0.579 39.018 38.460 -0.035 0.000 1.304 550 Y HN 0.898 nan 8.280 nan 0.000 0.455 551 c N 2.955 121.481 118.600 -0.123 0.000 2.454 551 c HA 0.732 5.302 4.570 -0.000 0.000 0.336 551 c C -0.583 173.432 174.090 -0.125 0.000 1.189 551 c CA -0.290 55.907 56.329 -0.220 0.000 1.877 551 c CB 0.613 43.047 42.510 -0.126 0.000 2.348 551 c HN 1.003 nan 8.230 nan 0.000 0.508 552 N N 0.000 118.602 118.700 -0.164 0.000 1.763 552 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 552 N CA 0.000 53.011 53.050 -0.065 0.000 0.885 552 N CB 0.000 38.493 38.487 0.009 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667