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 2gsn_1_B DATA FIRST_RESID 44 DATA SEQUENCE TPHALLLISI DGLRADMLDR GITPNLSHLA REGVRARWMA PSYPSLTFPN DATA SEQUENCE HYTLVTGLRP DHHGIVHNSM RDPTLGGFWL SKSEAVGDAR WWGGEPVWVG DATA SEQUENCE VENTGQHAAT WSWPGSEAAI KGVRPSQWRH YQKGVRLDTR VDAVRGWLAT DATA SEQUENCE DGAQRNRLVT LYFEHVDEAG HDHGPESRQY ADAVRAVDAA IGRLLAGMQR DATA SEQUENCE DGTRARTNII VVSDHGMAEV APGHAISVED IAPPQIATAI TDGQVIGFEP DATA SEQUENCE LPGQQAAAEA SVLGAHDHYD cWRKAELPAR WQYGSHPRIP SLVcQMHEGW DATA SEQUENCE DALFPDKLAK RAQRGTRGSH GYDPALPSMR AVFLAQGPDL AQGKTLPGFD DATA SEQUENCE NVDVYALMSR LLGIPAAPND GNPATLLPAL RM 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 44 T HA 0.000 nan 4.350 nan 0.000 0.228 44 T C 0.000 174.683 174.700 -0.029 0.000 1.109 44 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 44 T CB 0.000 68.886 68.868 0.030 0.000 0.612 45 P HA 0.307 nan 4.420 nan 0.000 0.269 45 P C -0.317 176.979 177.300 -0.006 0.000 1.215 45 P CA -0.321 62.721 63.100 -0.096 0.000 0.780 45 P CB 0.242 31.905 31.700 -0.062 0.000 0.898 46 H N -0.037 119.036 119.070 0.006 0.000 2.964 46 H HA 0.310 4.866 4.556 -0.000 0.000 0.328 46 H C 0.687 176.023 175.328 0.015 0.000 1.030 46 H CA -0.713 55.342 56.048 0.011 0.000 1.445 46 H CB 0.521 30.288 29.762 0.008 0.000 1.449 46 H HN 0.526 nan 8.280 nan 0.000 0.581 47 A N 3.190 126.103 122.820 0.155 0.000 2.346 47 A HA 0.312 4.631 4.320 -0.000 0.000 0.252 47 A C -0.501 177.134 177.584 0.085 0.000 1.089 47 A CA -0.416 51.681 52.037 0.100 0.000 0.797 47 A CB 0.415 19.470 19.000 0.092 0.000 1.047 47 A HN 0.523 nan 8.150 nan 0.000 0.494 48 L N 1.123 122.388 121.223 0.070 0.000 2.356 48 L HA 0.641 4.981 4.340 -0.000 0.000 0.277 48 L C -1.058 175.856 176.870 0.075 0.000 0.996 48 L CA -0.592 54.284 54.840 0.060 0.000 0.822 48 L CB 1.579 43.663 42.059 0.042 0.000 1.256 48 L HN 0.619 nan 8.230 nan 0.000 0.413 49 L N 6.007 127.277 121.223 0.078 0.000 2.265 49 L HA 0.603 4.942 4.340 -0.000 0.000 0.289 49 L C -1.416 175.521 176.870 0.112 0.000 1.033 49 L CA -0.271 54.633 54.840 0.106 0.000 0.814 49 L CB 1.325 43.445 42.059 0.101 0.000 1.203 49 L HN 0.705 nan 8.230 nan 0.000 0.423 50 L N 6.916 128.225 121.223 0.143 0.000 2.305 50 L HA 0.635 4.975 4.340 -0.000 0.000 0.284 50 L C -1.065 175.997 176.870 0.320 0.000 1.013 50 L CA -0.029 54.914 54.840 0.171 0.000 0.819 50 L CB 1.069 43.162 42.059 0.056 0.000 1.227 50 L HN 0.570 nan 8.230 nan 0.000 0.417 51 I N 3.873 124.644 120.570 0.335 0.000 2.389 51 I HA 0.375 4.544 4.170 -0.000 0.000 0.288 51 I C -0.143 176.235 176.117 0.435 0.000 0.999 51 I CA -0.461 61.075 61.300 0.392 0.000 1.129 51 I CB 1.907 40.081 38.000 0.289 0.000 1.288 51 I HN 0.603 nan 8.210 nan 0.000 0.444 52 S N 7.158 123.148 115.700 0.483 0.000 2.442 52 S HA 0.624 5.094 4.470 -0.000 0.000 0.297 52 S C -0.506 174.209 174.600 0.191 0.000 1.131 52 S CA -0.535 57.841 58.200 0.294 0.000 1.092 52 S CB 0.546 63.845 63.200 0.164 0.000 0.998 52 S HN 0.462 nan 8.310 nan 0.000 0.478 53 I N 4.339 124.966 120.570 0.096 0.000 2.347 53 I HA 0.214 4.384 4.170 -0.000 0.000 0.283 53 I C 0.148 176.223 176.117 -0.069 0.000 1.058 53 I CA -0.664 60.642 61.300 0.011 0.000 1.202 53 I CB 0.939 38.915 38.000 -0.041 0.000 1.386 53 I HN 0.576 nan 8.210 nan 0.000 0.475 54 D N 5.466 125.801 120.400 -0.108 0.000 2.531 54 D HA 0.005 4.645 4.640 -0.000 0.000 0.239 54 D C 1.256 177.473 176.300 -0.138 0.000 1.144 54 D CA 1.559 55.520 54.000 -0.064 0.000 0.869 54 D CB 1.012 41.856 40.800 0.074 0.000 1.160 54 D HN 0.909 nan 8.370 nan 0.000 0.484 55 G N 3.167 111.736 108.800 -0.385 0.000 2.155 55 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 55 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 55 G C 0.363 175.271 174.900 0.013 0.000 0.983 55 G CA 0.338 45.309 45.100 -0.216 0.000 0.676 55 G HN 0.539 nan 8.290 nan 0.000 0.528 56 L N 1.297 122.493 121.223 -0.045 0.000 2.385 56 L HA 0.572 4.911 4.340 -0.000 0.000 0.281 56 L C 1.020 177.940 176.870 0.083 0.000 1.106 56 L CA -0.602 54.264 54.840 0.043 0.000 0.856 56 L CB 0.345 42.388 42.059 -0.027 0.000 1.186 56 L HN 0.323 nan 8.230 nan 0.000 0.453 57 R N 3.563 124.166 120.500 0.173 0.000 2.594 57 R HA 0.297 4.637 4.340 -0.000 0.000 0.272 57 R C 1.310 177.675 176.300 0.107 0.000 1.074 57 R CA 0.558 56.728 56.100 0.116 0.000 1.105 57 R CB 1.117 31.473 30.300 0.093 0.000 1.008 57 R HN 0.882 nan 8.270 nan 0.000 0.472 58 A N 3.022 125.904 122.820 0.103 0.000 1.948 58 A HA -0.227 4.092 4.320 -0.000 0.000 0.220 58 A C 1.375 179.038 177.584 0.131 0.000 1.177 58 A CA 1.975 54.098 52.037 0.142 0.000 0.636 58 A CB -0.503 18.621 19.000 0.206 0.000 0.815 58 A HN 0.949 nan 8.150 nan 0.000 0.449 59 D N -1.010 119.452 120.400 0.103 0.000 2.363 59 D HA -0.082 4.558 4.640 -0.000 0.000 0.220 59 D C 1.412 177.764 176.300 0.086 0.000 0.994 59 D CA 0.468 54.523 54.000 0.091 0.000 0.890 59 D CB -0.402 40.437 40.800 0.064 0.000 0.906 59 D HN 0.348 nan 8.370 nan 0.000 0.530 60 M N 0.064 119.723 119.600 0.099 0.000 2.562 60 M HA 0.116 4.596 4.480 -0.000 0.000 0.257 60 M C 1.798 178.136 176.300 0.064 0.000 1.099 60 M CA 0.354 55.715 55.300 0.101 0.000 1.099 60 M CB -0.317 32.373 32.600 0.151 0.000 1.427 60 M HN 0.113 nan 8.290 nan 0.000 0.489 61 L N -0.287 120.973 121.223 0.062 0.000 2.478 61 L HA -0.100 4.239 4.340 -0.000 0.000 0.223 61 L C 0.600 177.497 176.870 0.045 0.000 1.140 61 L CA 0.575 55.442 54.840 0.046 0.000 0.842 61 L CB -0.216 41.876 42.059 0.054 0.000 0.953 61 L HN 0.190 nan 8.230 nan 0.000 0.452 62 D N 0.016 120.448 120.400 0.053 0.000 2.538 62 D HA 0.082 4.722 4.640 -0.000 0.000 0.231 62 D C 0.855 177.180 176.300 0.042 0.000 1.229 62 D CA 0.071 54.100 54.000 0.049 0.000 0.828 62 D CB 0.476 41.312 40.800 0.059 0.000 1.035 62 D HN 0.425 nan 8.370 nan 0.000 0.495 63 R N -0.602 119.921 120.500 0.039 0.000 2.700 63 R HA 0.423 4.762 4.340 -0.000 0.000 0.399 63 R C 0.876 177.190 176.300 0.024 0.000 1.115 63 R CA -0.253 55.867 56.100 0.033 0.000 1.058 63 R CB -0.193 30.131 30.300 0.040 0.000 1.389 63 R HN -0.105 nan 8.270 nan 0.000 0.582 64 G N 2.109 110.920 108.800 0.019 0.000 2.179 64 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.257 64 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.257 64 G C 0.489 175.390 174.900 0.001 0.000 1.010 64 G CA 0.678 45.783 45.100 0.010 0.000 0.736 64 G HN 0.677 nan 8.290 nan 0.000 0.513 65 I N -2.841 117.728 120.570 -0.001 0.000 4.147 65 I HA 0.416 4.586 4.170 -0.000 0.000 0.329 65 I C 0.822 176.918 176.117 -0.035 0.000 1.424 65 I CA 0.458 61.748 61.300 -0.017 0.000 1.127 65 I CB 0.700 38.694 38.000 -0.009 0.000 1.128 65 I HN 0.171 nan 8.210 nan 0.000 0.417 66 T N -1.729 112.809 114.554 -0.026 0.000 3.630 66 T HA 0.425 4.775 4.350 -0.000 0.000 0.238 66 T C -1.815 172.872 174.700 -0.021 0.000 1.195 66 T CA -1.385 60.693 62.100 -0.038 0.000 1.433 66 T CB 0.369 69.218 68.868 -0.032 0.000 0.940 66 T HN -0.013 nan 8.240 nan 0.000 0.641 67 P HA -0.139 nan 4.420 nan 0.000 0.216 67 P C 1.292 178.595 177.300 0.006 0.000 1.153 67 P CA 1.201 64.295 63.100 -0.010 0.000 0.858 67 P CB 0.191 31.873 31.700 -0.030 0.000 0.789 68 N N -0.095 118.595 118.700 -0.017 0.000 2.106 68 N HA -0.044 4.696 4.740 -0.000 0.000 0.188 68 N C 2.059 177.587 175.510 0.029 0.000 1.029 68 N CA 1.008 54.057 53.050 -0.001 0.000 0.848 68 N CB -0.625 37.839 38.487 -0.038 0.000 1.007 68 N HN 0.207 nan 8.380 nan 0.000 0.423 69 L N 0.876 122.096 121.223 -0.005 0.000 2.093 69 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 69 L C 2.370 179.246 176.870 0.010 0.000 1.085 69 L CA 0.742 55.577 54.840 -0.007 0.000 0.755 69 L CB -0.346 41.695 42.059 -0.030 0.000 0.904 69 L HN 0.071 nan 8.230 nan 0.000 0.435 70 S N -1.337 114.378 115.700 0.024 0.000 2.382 70 S HA -0.238 4.232 4.470 -0.000 0.000 0.228 70 S C 1.899 176.527 174.600 0.047 0.000 1.027 70 S CA 1.290 59.509 58.200 0.031 0.000 0.991 70 S CB -0.328 62.892 63.200 0.034 0.000 0.823 70 S HN 0.512 nan 8.310 nan 0.000 0.469 71 H N 0.912 119.970 119.070 -0.020 0.000 2.326 71 H HA 0.050 4.606 4.556 -0.000 0.000 0.301 71 H C 1.994 177.310 175.328 -0.021 0.000 1.081 71 H CA 1.315 57.351 56.048 -0.019 0.000 1.334 71 H CB -0.455 29.294 29.762 -0.022 0.000 1.385 71 H HN 0.185 nan 8.280 nan 0.000 0.504 72 L N 0.473 121.693 121.223 -0.005 0.000 2.012 72 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 72 L C 2.527 179.339 176.870 -0.098 0.000 1.073 72 L CA 2.032 56.836 54.840 -0.061 0.000 0.748 72 L CB -1.289 40.761 42.059 -0.015 0.000 0.891 72 L HN 0.434 nan 8.230 nan 0.000 0.431 73 A N -0.794 121.986 122.820 -0.067 0.000 1.908 73 A HA -0.233 4.086 4.320 -0.000 0.000 0.218 73 A C 2.423 179.964 177.584 -0.071 0.000 1.181 73 A CA 1.851 53.853 52.037 -0.058 0.000 0.627 73 A CB -0.545 18.441 19.000 -0.024 0.000 0.818 73 A HN 0.480 nan 8.150 nan 0.000 0.445 74 R N -0.472 119.970 120.500 -0.098 0.000 2.092 74 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 74 R C 1.945 178.157 176.300 -0.146 0.000 1.119 74 R CA 1.451 57.486 56.100 -0.108 0.000 0.970 74 R CB -0.283 29.951 30.300 -0.110 0.000 0.864 74 R HN 0.674 nan 8.270 nan 0.000 0.440 75 E N -0.471 119.592 120.200 -0.228 0.000 2.274 75 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 75 E C 1.155 177.690 176.600 -0.108 0.000 0.996 75 E CA 0.793 57.078 56.400 -0.193 0.000 0.840 75 E CB 0.248 29.803 29.700 -0.242 0.000 0.772 75 E HN 0.380 nan 8.360 nan 0.000 0.491 76 G N 0.186 108.931 108.800 -0.092 0.000 3.392 76 G HA2 0.427 4.386 3.960 -0.000 0.000 0.185 76 G HA3 0.427 4.386 3.960 -0.000 0.000 0.185 76 G C -1.051 173.826 174.900 -0.038 0.000 1.206 76 G CA -0.231 44.832 45.100 -0.061 0.000 0.776 76 G HN 0.060 nan 8.290 nan 0.000 0.697 77 V N 0.320 120.217 119.914 -0.028 0.000 2.760 77 V HA 0.838 4.957 4.120 -0.000 0.000 0.309 77 V C -1.136 174.976 176.094 0.030 0.000 1.077 77 V CA -0.827 61.482 62.300 0.015 0.000 0.910 77 V CB 1.879 33.733 31.823 0.051 0.000 1.008 77 V HN 0.993 nan 8.190 nan 0.000 0.424 78 R N 5.539 126.085 120.500 0.077 0.000 2.621 78 R HA 0.885 5.225 4.340 -0.000 0.000 0.284 78 R C -0.815 175.599 176.300 0.190 0.000 0.998 78 R CA 0.132 56.304 56.100 0.121 0.000 0.895 78 R CB 1.929 32.266 30.300 0.061 0.000 1.195 78 R HN 1.023 nan 8.270 nan 0.000 0.450 79 A N 3.314 126.336 122.820 0.337 0.000 2.322 79 A HA 0.347 4.667 4.320 -0.000 0.000 0.269 79 A C 0.553 178.211 177.584 0.124 0.000 1.094 79 A CA -0.649 51.537 52.037 0.249 0.000 0.807 79 A CB 0.636 19.919 19.000 0.472 0.000 1.047 79 A HN 1.021 nan 8.150 nan 0.000 0.487 80 R N 0.494 120.973 120.500 -0.034 0.000 2.103 80 R HA -0.104 4.236 4.340 -0.000 0.000 0.242 80 R C 0.146 176.526 176.300 0.134 0.000 1.142 80 R CA 2.082 58.165 56.100 -0.028 0.000 0.960 80 R CB -0.176 29.997 30.300 -0.213 0.000 0.858 80 R HN 0.878 nan 8.270 nan 0.000 0.439 81 W N -2.775 118.596 121.300 0.118 0.000 2.929 81 W HA 0.412 5.071 4.660 -0.001 0.000 0.363 81 W C -1.750 174.744 176.519 -0.042 0.000 1.168 81 W CA -1.063 56.317 57.345 0.059 0.000 1.163 81 W CB 0.484 29.963 29.460 0.033 0.000 1.455 81 W HN -0.222 nan 8.180 nan 0.000 0.568 82 M N 2.628 122.397 119.600 0.281 0.000 2.267 82 M HA 0.624 5.104 4.480 -0.000 0.000 0.289 82 M C -0.865 175.494 176.300 0.098 0.000 1.043 82 M CA -0.222 54.989 55.300 -0.149 0.000 0.928 82 M CB 1.865 34.231 32.600 -0.391 0.000 1.613 82 M HN 0.570 nan 8.290 nan 0.000 0.450 83 A N 7.089 129.992 122.820 0.139 0.000 2.409 83 A HA 0.722 5.041 4.320 -0.000 0.000 0.262 83 A C -2.651 174.957 177.584 0.040 0.000 1.113 83 A CA -1.229 50.878 52.037 0.116 0.000 0.790 83 A CB -0.306 18.801 19.000 0.178 0.000 1.046 83 A HN 0.571 nan 8.150 nan 0.000 0.496 84 P HA 0.207 nan 4.420 nan 0.000 0.274 84 P C -0.152 177.178 177.300 0.050 0.000 1.256 84 P CA -0.235 62.893 63.100 0.046 0.000 0.795 84 P CB 0.721 32.453 31.700 0.053 0.000 1.038 85 S N -0.652 115.081 115.700 0.054 0.000 2.652 85 S HA 0.249 4.718 4.470 -0.000 0.000 0.270 85 S C -0.415 174.174 174.600 -0.018 0.000 1.243 85 S CA -0.202 58.032 58.200 0.058 0.000 0.999 85 S CB 0.014 63.262 63.200 0.080 0.000 0.973 85 S HN 0.367 nan 8.310 nan 0.000 0.544 86 Y N 4.168 124.378 120.300 -0.151 0.000 2.335 86 Y HA 0.316 4.866 4.550 -0.000 0.000 0.331 86 Y C -2.183 173.450 175.900 -0.445 0.000 1.094 86 Y CA -1.763 56.110 58.100 -0.379 0.000 1.253 86 Y CB 0.652 38.828 38.460 -0.473 0.000 1.203 86 Y HN 0.352 nan 8.280 nan 0.000 0.508 87 P HA 0.096 nan 4.420 nan 0.000 0.281 87 P C -0.855 176.060 177.300 -0.642 0.000 1.249 87 P CA -0.544 61.775 63.100 -1.302 0.000 0.810 87 P CB 1.260 32.281 31.700 -1.132 0.000 1.008 88 S N 2.240 117.584 115.700 -0.593 0.000 4.069 88 S HA 0.281 4.751 4.470 -0.000 0.000 0.192 88 S C 0.321 174.820 174.600 -0.168 0.000 1.441 88 S CA -0.403 57.641 58.200 -0.259 0.000 0.994 88 S CB -1.376 61.713 63.200 -0.185 0.000 1.456 88 S HN 0.285 nan 8.310 nan 0.000 0.458 89 L N 0.049 121.195 121.223 -0.130 0.000 2.286 89 L HA 0.482 4.822 4.340 -0.000 0.000 0.265 89 L C 1.497 178.509 176.870 0.236 0.000 1.012 89 L CA -1.047 53.785 54.840 -0.014 0.000 0.818 89 L CB 0.990 42.905 42.059 -0.240 0.000 1.337 89 L HN 0.159 nan 8.230 nan 0.000 0.438 90 T N -0.338 114.438 114.554 0.371 0.000 2.698 90 T HA -0.079 4.270 4.350 -0.000 0.000 0.260 90 T C 1.513 176.553 174.700 0.566 0.000 1.044 90 T CA 1.552 63.974 62.100 0.536 0.000 1.149 90 T CB -0.182 68.999 68.868 0.522 0.000 0.864 90 T HN 0.302 nan 8.240 nan 0.000 0.419 91 F N 1.537 121.614 119.950 0.212 0.000 2.075 91 F HA 0.069 4.595 4.527 -0.000 0.000 0.297 91 F C -0.679 175.296 175.800 0.292 0.000 1.113 91 F CA 0.425 58.562 58.000 0.229 0.000 1.218 91 F CB -1.755 37.361 39.000 0.194 0.000 0.984 91 F HN 0.167 nan 8.300 nan 0.000 0.472 92 P HA -0.169 nan 4.420 nan 0.000 0.216 92 P C 1.339 178.887 177.300 0.413 0.000 1.153 92 P CA 1.732 65.068 63.100 0.393 0.000 0.858 92 P CB -0.015 31.802 31.700 0.195 0.000 0.789 93 N N -1.965 116.921 118.700 0.310 0.000 2.300 93 N HA -0.094 4.646 4.740 -0.000 0.000 0.179 93 N C 1.705 177.363 175.510 0.246 0.000 1.016 93 N CA 0.853 54.050 53.050 0.246 0.000 0.876 93 N CB -0.569 38.011 38.487 0.156 0.000 0.979 93 N HN 0.292 nan 8.380 nan 0.000 0.432 94 H N -0.694 118.513 119.070 0.228 0.000 2.352 94 H HA -0.122 4.433 4.556 -0.000 0.000 0.299 94 H C 1.550 177.204 175.328 0.545 0.000 1.097 94 H CA 1.649 57.844 56.048 0.245 0.000 1.311 94 H CB -0.104 29.558 29.762 -0.168 0.000 1.377 94 H HN 0.220 nan 8.280 nan 0.000 0.504 95 Y N 0.748 121.268 120.300 0.366 0.000 2.314 95 Y HA -0.160 4.390 4.550 -0.000 0.000 0.293 95 Y C 2.408 178.366 175.900 0.097 0.000 1.129 95 Y CA 1.337 59.557 58.100 0.200 0.000 1.201 95 Y CB -0.378 38.086 38.460 0.007 0.000 0.999 95 Y HN 0.101 nan 8.280 nan 0.000 0.541 96 T N 0.996 115.703 114.554 0.256 0.000 2.684 96 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 96 T C 2.100 176.897 174.700 0.162 0.000 1.036 96 T CA 1.834 64.095 62.100 0.269 0.000 1.148 96 T CB -0.595 68.472 68.868 0.331 0.000 0.863 96 T HN 0.280 nan 8.240 nan 0.000 0.436 97 L N 1.158 122.533 121.223 0.253 0.000 2.043 97 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 97 L C 2.509 179.498 176.870 0.198 0.000 1.075 97 L CA 1.259 56.268 54.840 0.281 0.000 0.752 97 L CB -0.586 41.738 42.059 0.441 0.000 0.891 97 L HN 0.287 nan 8.230 nan 0.000 0.432 98 V N -5.331 114.644 119.914 0.102 0.000 3.649 98 V HA 0.056 4.175 4.120 -0.000 0.000 0.275 98 V C 1.786 177.770 176.094 -0.183 0.000 1.281 98 V CA 1.003 63.257 62.300 -0.077 0.000 1.143 98 V CB -0.403 31.251 31.823 -0.282 0.000 0.892 98 V HN 0.540 nan 8.190 nan 0.000 0.441 99 T N -4.317 110.031 114.554 -0.343 0.000 2.969 99 T HA 0.415 4.765 4.350 -0.000 0.000 0.250 99 T C 1.759 175.948 174.700 -0.852 0.000 1.021 99 T CA 0.918 62.629 62.100 -0.649 0.000 1.003 99 T CB 0.484 68.972 68.868 -0.634 0.000 1.040 99 T HN 1.434 nan 8.240 nan 0.000 0.492 100 G N 1.614 110.208 108.800 -0.344 0.000 2.155 100 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.257 100 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.257 100 G C -0.119 174.743 174.900 -0.063 0.000 0.983 100 G CA 0.466 45.479 45.100 -0.146 0.000 0.676 100 G HN 0.650 nan 8.290 nan 0.000 0.528 101 L N 0.422 121.634 121.223 -0.019 0.000 2.325 101 L HA 0.618 4.958 4.340 -0.000 0.000 0.278 101 L C 0.926 177.874 176.870 0.130 0.000 1.023 101 L CA -1.437 53.465 54.840 0.103 0.000 0.811 101 L CB 1.131 43.278 42.059 0.146 0.000 1.249 101 L HN -0.044 nan 8.230 nan 0.000 0.431 102 R N 2.329 122.857 120.500 0.046 0.000 2.679 102 R HA 0.083 4.422 4.340 -0.000 0.000 0.268 102 R C -1.641 174.440 176.300 -0.365 0.000 1.044 102 R CA -1.805 54.243 56.100 -0.087 0.000 1.105 102 R CB 0.116 30.316 30.300 -0.168 0.000 0.989 102 R HN 0.316 nan 8.270 nan 0.000 0.447 103 P HA -0.165 nan 4.420 nan 0.000 0.217 103 P C 0.691 177.808 177.300 -0.304 0.000 1.148 103 P CA 1.240 63.964 63.100 -0.626 0.000 0.828 103 P CB 0.195 31.873 31.700 -0.036 0.000 0.783 104 D N -2.018 118.316 120.400 -0.110 0.000 2.265 104 D HA -0.171 4.468 4.640 -0.000 0.000 0.208 104 D C 1.544 177.875 176.300 0.052 0.000 0.977 104 D CA 1.280 55.228 54.000 -0.088 0.000 0.871 104 D CB -0.273 40.428 40.800 -0.164 0.000 0.925 104 D HN 0.380 nan 8.370 nan 0.000 0.485 105 H N -2.565 116.518 119.070 0.022 0.000 2.476 105 H HA 0.099 4.655 4.556 -0.000 0.000 0.292 105 H C 1.760 177.182 175.328 0.158 0.000 1.019 105 H CA 0.738 56.839 56.048 0.088 0.000 1.330 105 H CB 0.080 29.868 29.762 0.043 0.000 1.451 105 H HN 0.394 nan 8.280 nan 0.000 0.535 106 H N -0.960 118.276 119.070 0.276 0.000 2.535 106 H HA 0.172 4.727 4.556 -0.000 0.000 0.273 106 H C 1.459 176.917 175.328 0.217 0.000 0.983 106 H CA 0.583 56.795 56.048 0.274 0.000 1.238 106 H CB 0.455 30.400 29.762 0.306 0.000 1.412 106 H HN 0.498 nan 8.280 nan 0.000 0.562 107 G N 1.791 110.693 108.800 0.170 0.000 2.217 107 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 107 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 107 G C 0.291 175.076 174.900 -0.192 0.000 0.990 107 G CA 0.165 45.110 45.100 -0.259 0.000 0.627 107 G HN 0.334 nan 8.290 nan 0.000 0.522 108 I N 3.358 124.009 120.570 0.135 0.000 2.268 108 I HA 0.190 4.360 4.170 -0.000 0.000 0.298 108 I C 2.015 178.176 176.117 0.073 0.000 1.185 108 I CA 0.341 61.595 61.300 -0.077 0.000 1.548 108 I CB -0.067 37.850 38.000 -0.138 0.000 1.492 108 I HN 0.305 nan 8.210 nan 0.000 0.711 109 V N 1.347 121.242 119.914 -0.032 0.000 3.541 109 V HA 0.185 4.304 4.120 -0.000 0.000 0.267 109 V C 0.789 177.032 176.094 0.248 0.000 1.213 109 V CA 0.893 63.276 62.300 0.139 0.000 1.149 109 V CB -0.559 31.296 31.823 0.054 0.000 0.822 109 V HN 0.707 nan 8.190 nan 0.000 0.462 110 H N -0.571 118.509 119.070 0.018 0.000 2.932 110 H HA 0.357 4.913 4.556 -0.000 0.000 0.307 110 H C 0.130 175.455 175.328 -0.004 0.000 1.391 110 H CA -0.216 55.837 56.048 0.009 0.000 1.130 110 H CB 1.661 31.434 29.762 0.018 0.000 1.836 110 H HN -0.056 nan 8.280 nan 0.000 0.522 111 N N -0.077 118.731 118.700 0.180 0.000 2.270 111 N HA -0.035 4.705 4.740 -0.000 0.000 0.181 111 N C -0.286 175.380 175.510 0.260 0.000 1.016 111 N CA 0.828 53.979 53.050 0.167 0.000 0.870 111 N CB 0.258 38.779 38.487 0.057 0.000 0.979 111 N HN 0.223 nan 8.380 nan 0.000 0.431 112 S N 0.365 116.261 115.700 0.327 0.000 2.502 112 S HA 0.625 5.095 4.470 -0.000 0.000 0.304 112 S C -0.179 174.481 174.600 0.100 0.000 1.097 112 S CA -0.625 57.706 58.200 0.218 0.000 1.045 112 S CB 2.282 65.553 63.200 0.119 0.000 1.019 112 S HN -0.003 nan 8.310 nan 0.000 0.481 113 M N 2.191 121.868 119.600 0.128 0.000 2.618 113 M HA 0.548 5.028 4.480 -0.000 0.000 0.281 113 M C -1.002 175.423 176.300 0.207 0.000 1.267 113 M CA -0.681 54.674 55.300 0.091 0.000 0.845 113 M CB 2.573 35.167 32.600 -0.011 0.000 1.732 113 M HN 0.415 nan 8.290 nan 0.000 0.461 114 R N 0.614 121.256 120.500 0.237 0.000 2.628 114 R HA 0.530 4.870 4.340 -0.000 0.000 0.288 114 R C -1.680 174.792 176.300 0.287 0.000 0.980 114 R CA -0.827 55.444 56.100 0.285 0.000 0.891 114 R CB 2.226 32.635 30.300 0.181 0.000 1.188 114 R HN 0.611 nan 8.270 nan 0.000 0.450 115 D N 2.910 123.482 120.400 0.287 0.000 2.787 115 D HA 0.256 4.896 4.640 -0.000 0.000 0.246 115 D C -2.037 174.297 176.300 0.057 0.000 1.150 115 D CA -2.070 51.995 54.000 0.109 0.000 0.864 115 D CB 2.699 43.427 40.800 -0.120 0.000 1.481 115 D HN 0.108 nan 8.370 nan 0.000 0.509 116 P HA -0.022 nan 4.420 nan 0.000 0.220 116 P C 1.018 178.314 177.300 -0.007 0.000 1.148 116 P CA 1.034 64.145 63.100 0.018 0.000 0.803 116 P CB 0.498 32.204 31.700 0.011 0.000 0.782 117 T N -0.910 113.613 114.554 -0.052 0.000 2.953 117 T HA 0.123 4.473 4.350 -0.000 0.000 0.247 117 T C 1.566 176.212 174.700 -0.090 0.000 1.029 117 T CA 0.700 62.757 62.100 -0.073 0.000 1.144 117 T CB -0.525 68.280 68.868 -0.105 0.000 0.870 117 T HN 0.034 nan 8.240 nan 0.000 0.446 118 L N 0.594 121.710 121.223 -0.178 0.000 2.509 118 L HA 0.305 4.645 4.340 -0.000 0.000 0.222 118 L C 1.640 178.562 176.870 0.087 0.000 1.123 118 L CA 0.121 54.840 54.840 -0.202 0.000 0.856 118 L CB -0.908 40.672 42.059 -0.798 0.000 0.985 118 L HN 0.501 nan 8.230 nan 0.000 0.456 119 G N 0.023 108.902 108.800 0.131 0.000 2.542 119 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.235 119 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.235 119 G C 0.154 175.283 174.900 0.381 0.000 1.286 119 G CA -0.553 44.674 45.100 0.212 0.000 0.904 119 G HN 0.423 nan 8.290 nan 0.000 0.577 120 G N -0.930 108.040 108.800 0.283 0.000 2.476 120 G HA2 0.681 4.640 3.960 -0.000 0.000 0.269 120 G HA3 0.681 4.640 3.960 -0.000 0.000 0.269 120 G C -0.942 173.992 174.900 0.057 0.000 1.195 120 G CA 0.335 45.601 45.100 0.277 0.000 0.843 120 G HN 1.449 nan 8.290 nan 0.000 0.545 121 F N 1.881 121.690 119.950 -0.235 0.000 2.557 121 F HA 0.670 5.197 4.527 -0.000 0.000 0.316 121 F C -1.146 174.501 175.800 -0.256 0.000 1.141 121 F CA -1.132 56.466 58.000 -0.671 0.000 0.922 121 F CB 1.417 39.545 39.000 -1.453 0.000 1.194 121 F HN 0.723 nan 8.300 nan 0.000 0.443 122 W N 5.138 126.027 121.300 -0.685 0.000 3.025 122 W HA 0.483 5.143 4.660 -0.000 0.000 0.343 122 W C -1.021 175.061 176.519 -0.729 0.000 1.246 122 W CA -1.100 55.938 57.345 -0.513 0.000 1.178 122 W CB 0.418 29.722 29.460 -0.259 0.000 1.463 122 W HN 0.421 nan 8.180 nan 0.000 0.578 123 L N 1.813 122.842 121.223 -0.324 0.000 2.131 123 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 123 L C 2.109 178.804 176.870 -0.293 0.000 1.092 123 L CA 2.030 56.545 54.840 -0.542 0.000 0.759 123 L CB -0.805 40.956 42.059 -0.497 0.000 0.903 123 L HN 0.712 nan 8.230 nan 0.000 0.435 124 S N -1.457 114.198 115.700 -0.074 0.000 2.575 124 S HA -0.023 4.447 4.470 -0.000 0.000 0.215 124 S C 0.899 175.403 174.600 -0.159 0.000 0.966 124 S CA -0.260 57.927 58.200 -0.021 0.000 0.911 124 S CB -0.130 63.139 63.200 0.115 0.000 0.780 124 S HN 0.235 nan 8.310 nan 0.000 0.514 125 K N 2.935 123.012 120.400 -0.538 0.000 2.150 125 K HA 0.207 4.527 4.320 -0.000 0.000 0.261 125 K C 1.175 177.491 176.600 -0.472 0.000 1.127 125 K CA 0.149 56.013 56.287 -0.706 0.000 0.989 125 K CB 0.109 31.731 32.500 -1.463 0.000 1.475 125 K HN 0.375 nan 8.250 nan 0.000 0.391 126 S N 2.641 118.189 115.700 -0.254 0.000 2.400 126 S HA -0.182 4.288 4.470 -0.000 0.000 0.232 126 S C 1.225 175.763 174.600 -0.102 0.000 1.025 126 S CA 1.084 59.200 58.200 -0.140 0.000 0.993 126 S CB -0.092 63.048 63.200 -0.100 0.000 0.808 126 S HN 0.710 nan 8.310 nan 0.000 0.478 127 E N 1.077 121.202 120.200 -0.125 0.000 2.358 127 E HA 0.206 4.556 4.350 -0.000 0.000 0.195 127 E C 2.108 178.707 176.600 -0.000 0.000 1.010 127 E CA 0.615 56.987 56.400 -0.047 0.000 0.856 127 E CB -0.175 29.497 29.700 -0.046 0.000 0.795 127 E HN 0.740 nan 8.360 nan 0.000 0.504 128 A N 0.340 123.085 122.820 -0.124 0.000 1.887 128 A HA -0.031 4.289 4.320 -0.000 0.000 0.212 128 A C 2.324 179.921 177.584 0.022 0.000 1.198 128 A CA 0.361 52.373 52.037 -0.042 0.000 0.628 128 A CB -0.359 18.384 19.000 -0.428 0.000 0.847 128 A HN 0.100 nan 8.150 nan 0.000 0.449 129 V N 0.234 120.024 119.914 -0.207 0.000 2.469 129 V HA -0.171 3.948 4.120 -0.000 0.000 0.251 129 V C 2.404 178.736 176.094 0.396 0.000 1.064 129 V CA 1.895 64.296 62.300 0.169 0.000 1.066 129 V CB -1.005 30.835 31.823 0.028 0.000 0.667 129 V HN 0.613 nan 8.190 nan 0.000 0.461 130 G N -0.818 108.105 108.800 0.204 0.000 3.141 130 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.218 130 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.218 130 G C 0.160 175.178 174.900 0.196 0.000 1.170 130 G CA 0.016 45.197 45.100 0.136 0.000 0.769 130 G HN 0.469 nan 8.290 nan 0.000 0.546 131 D N 0.706 121.337 120.400 0.385 0.000 2.359 131 D HA 0.488 5.128 4.640 -0.000 0.000 0.230 131 D C 1.455 178.071 176.300 0.527 0.000 1.118 131 D CA -0.233 53.999 54.000 0.387 0.000 0.844 131 D CB 1.440 42.495 40.800 0.425 0.000 1.059 131 D HN -0.031 nan 8.370 nan 0.000 0.493 132 A N 4.958 127.978 122.820 0.334 0.000 2.032 132 A HA -0.206 4.113 4.320 -0.000 0.000 0.221 132 A C 1.999 179.801 177.584 0.363 0.000 1.165 132 A CA 1.145 53.394 52.037 0.354 0.000 0.645 132 A CB -0.255 18.847 19.000 0.171 0.000 0.807 132 A HN 0.679 nan 8.150 nan 0.000 0.453 133 R N -1.955 118.664 120.500 0.198 0.000 2.193 133 R HA -0.174 4.166 4.340 -0.000 0.000 0.229 133 R C 1.668 177.921 176.300 -0.079 0.000 1.110 133 R CA 1.348 57.456 56.100 0.012 0.000 0.988 133 R CB -0.276 29.946 30.300 -0.129 0.000 0.871 133 R HN 0.801 nan 8.270 nan 0.000 0.458 134 W N -0.480 120.826 121.300 0.010 0.000 2.467 134 W HA -0.066 4.594 4.660 -0.000 0.000 0.275 134 W C 0.068 176.361 176.519 -0.378 0.000 1.239 134 W CA -0.081 57.083 57.345 -0.303 0.000 1.266 134 W CB 0.007 29.092 29.460 -0.625 0.000 1.112 134 W HN -0.002 nan 8.180 nan 0.000 0.576 135 W N 1.389 122.784 121.300 0.159 0.000 2.288 135 W HA 0.546 5.206 4.660 -0.000 0.000 0.325 135 W C 0.678 177.307 176.519 0.184 0.000 1.019 135 W CA -1.005 56.356 57.345 0.026 0.000 1.403 135 W CB 0.031 29.412 29.460 -0.131 0.000 1.226 135 W HN -0.268 nan 8.180 nan 0.000 0.391 136 G N 1.476 110.549 108.800 0.455 0.000 2.599 136 G HA2 0.530 4.489 3.960 -0.000 0.000 0.264 136 G HA3 0.530 4.489 3.960 -0.000 0.000 0.264 136 G C 0.627 175.740 174.900 0.355 0.000 1.200 136 G CA 0.196 45.518 45.100 0.370 0.000 0.896 136 G HN 0.939 nan 8.290 nan 0.000 0.536 137 G N -0.669 108.241 108.800 0.183 0.000 2.601 137 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.261 137 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.261 137 G C -0.008 174.901 174.900 0.015 0.000 1.289 137 G CA 0.506 45.639 45.100 0.054 0.000 0.920 137 G HN 1.033 nan 8.290 nan 0.000 0.571 138 E N 0.867 120.996 120.200 -0.120 0.000 2.316 138 E HA 0.473 4.823 4.350 -0.000 0.000 0.254 138 E C -2.585 173.833 176.600 -0.304 0.000 0.902 138 E CA -1.987 54.322 56.400 -0.151 0.000 0.801 138 E CB 2.131 31.777 29.700 -0.090 0.000 1.270 138 E HN 0.405 nan 8.360 nan 0.000 0.414 139 P HA -0.007 nan 4.420 nan 0.000 0.274 139 P C 1.270 178.153 177.300 -0.695 0.000 1.231 139 P CA -0.303 62.314 63.100 -0.806 0.000 0.790 139 P CB 1.258 32.055 31.700 -1.505 0.000 0.951 140 V N -0.615 119.030 119.914 -0.449 0.000 2.380 140 V HA -0.257 3.863 4.120 -0.000 0.000 0.251 140 V C 2.080 178.073 176.094 -0.168 0.000 1.063 140 V CA 1.960 64.138 62.300 -0.204 0.000 1.055 140 V CB -2.277 29.469 31.823 -0.129 0.000 0.657 140 V HN 0.727 nan 8.190 nan 0.000 0.455 141 W N 0.508 121.762 121.300 -0.077 0.000 2.374 141 W HA 0.063 4.723 4.660 -0.000 0.000 0.288 141 W C 1.951 178.439 176.519 -0.051 0.000 1.218 141 W CA 1.075 58.374 57.345 -0.076 0.000 1.245 141 W CB -1.513 27.888 29.460 -0.099 0.000 1.126 141 W HN 0.078 nan 8.180 nan 0.000 0.545 142 V N 2.351 122.154 119.914 -0.186 0.000 2.358 142 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 142 V C 2.645 178.713 176.094 -0.044 0.000 1.047 142 V CA 2.216 64.478 62.300 -0.063 0.000 1.035 142 V CB -1.534 30.199 31.823 -0.149 0.000 0.658 142 V HN 0.452 nan 8.190 nan 0.000 0.452 143 G N -0.074 108.678 108.800 -0.080 0.000 2.446 143 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.217 143 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.217 143 G C 1.687 176.568 174.900 -0.032 0.000 1.168 143 G CA 1.333 46.406 45.100 -0.045 0.000 0.771 143 G HN 0.369 nan 8.290 nan 0.000 0.551 144 V N 0.728 120.630 119.914 -0.021 0.000 2.295 144 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 144 V C 2.838 178.917 176.094 -0.024 0.000 1.049 144 V CA 2.073 64.364 62.300 -0.015 0.000 1.024 144 V CB -0.355 31.478 31.823 0.017 0.000 0.648 144 V HN 0.334 nan 8.190 nan 0.000 0.447 145 E N 0.349 120.556 120.200 0.012 0.000 2.077 145 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 145 E C 1.988 178.574 176.600 -0.023 0.000 0.989 145 E CA 1.108 57.510 56.400 0.003 0.000 0.800 145 E CB -0.493 29.248 29.700 0.069 0.000 0.746 145 E HN 0.561 nan 8.360 nan 0.000 0.452 146 N N 0.530 119.223 118.700 -0.012 0.000 2.520 146 N HA -0.084 4.656 4.740 -0.000 0.000 0.185 146 N C 1.540 177.031 175.510 -0.031 0.000 1.068 146 N CA 1.250 54.290 53.050 -0.017 0.000 0.911 146 N CB -0.231 38.249 38.487 -0.011 0.000 0.961 146 N HN 0.266 nan 8.380 nan 0.000 0.446 147 T N -3.822 110.705 114.554 -0.045 0.000 3.144 147 T HA 0.305 4.654 4.350 -0.000 0.000 0.249 147 T C 1.259 175.914 174.700 -0.075 0.000 1.089 147 T CA 0.323 62.392 62.100 -0.053 0.000 0.989 147 T CB 0.071 68.907 68.868 -0.052 0.000 0.992 147 T HN 0.211 nan 8.240 nan 0.000 0.540 148 G N 0.843 109.585 108.800 -0.098 0.000 2.143 148 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.248 148 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.248 148 G C -0.192 174.539 174.900 -0.280 0.000 0.991 148 G CA 0.249 45.261 45.100 -0.147 0.000 0.689 148 G HN 0.668 nan 8.290 nan 0.000 0.522 149 Q N -0.807 118.825 119.800 -0.280 0.000 2.286 149 Q HA 0.681 5.020 4.340 -0.000 0.000 0.250 149 Q C -0.311 175.407 176.000 -0.469 0.000 1.021 149 Q CA -0.934 54.665 55.803 -0.340 0.000 0.930 149 Q CB 1.190 29.847 28.738 -0.135 0.000 1.266 149 Q HN 0.506 nan 8.270 nan 0.000 0.491 150 H N -0.949 118.125 119.070 0.005 0.000 2.690 150 H HA 0.672 5.228 4.556 -0.000 0.000 0.368 150 H C -1.229 174.091 175.328 -0.012 0.000 1.150 150 H CA -0.664 55.381 56.048 -0.006 0.000 1.174 150 H CB 1.916 31.666 29.762 -0.020 0.000 1.684 150 H HN 0.705 nan 8.280 nan 0.000 0.538 151 A N 1.231 124.115 122.820 0.108 0.000 2.365 151 A HA 0.767 5.087 4.320 -0.000 0.000 0.318 151 A C -0.821 176.692 177.584 -0.118 0.000 1.091 151 A CA -0.510 51.545 52.037 0.030 0.000 0.763 151 A CB 1.266 20.327 19.000 0.102 0.000 1.248 151 A HN 0.744 nan 8.150 nan 0.000 0.442 152 A N 1.576 124.269 122.820 -0.212 0.000 2.335 152 A HA 0.756 5.076 4.320 -0.000 0.000 0.304 152 A C -0.134 177.216 177.584 -0.390 0.000 1.118 152 A CA -0.042 51.642 52.037 -0.587 0.000 0.757 152 A CB 0.699 19.137 19.000 -0.936 0.000 1.188 152 A HN 1.623 nan 8.150 nan 0.000 0.460 153 T N -0.431 113.887 114.554 -0.394 0.000 2.809 153 T HA 0.424 4.774 4.350 -0.000 0.000 0.284 153 T C -0.508 174.337 174.700 0.241 0.000 0.992 153 T CA -0.341 61.729 62.100 -0.051 0.000 0.957 153 T CB 0.994 69.686 68.868 -0.293 0.000 0.942 153 T HN 0.731 nan 8.240 nan 0.000 0.439 154 W N 5.594 127.132 121.300 0.397 0.000 2.085 154 W HA 0.313 4.973 4.660 -0.000 0.000 0.392 154 W C 0.622 177.288 176.519 0.245 0.000 0.862 154 W CA 0.170 57.747 57.345 0.387 0.000 1.542 154 W CB -0.684 28.965 29.460 0.315 0.000 1.672 154 W HN 1.322 nan 8.180 nan 0.000 0.309 155 S N 2.601 118.313 115.700 0.020 0.000 3.698 155 S HA -0.261 4.209 4.470 -0.000 0.000 0.338 155 S C -0.094 174.417 174.600 -0.148 0.000 1.089 155 S CA 0.325 58.486 58.200 -0.065 0.000 0.991 155 S CB -2.289 60.935 63.200 0.039 0.000 0.909 155 S HN 0.559 nan 8.310 nan 0.000 0.485 156 W N 2.334 123.502 121.300 -0.221 0.000 2.304 156 W HA 0.395 5.055 4.660 -0.000 0.000 0.313 156 W C -2.595 173.692 176.519 -0.387 0.000 1.323 156 W CA -2.012 55.194 57.345 -0.232 0.000 1.223 156 W CB 0.451 29.869 29.460 -0.070 0.000 1.237 156 W HN 0.172 nan 8.180 nan 0.000 0.535 157 P HA 0.021 nan 4.420 nan 0.000 0.260 157 P C 0.609 177.718 177.300 -0.319 0.000 1.172 157 P CA 2.242 64.952 63.100 -0.651 0.000 0.760 157 P CB 0.280 31.286 31.700 -1.158 0.000 0.773 158 G N 2.762 111.050 108.800 -0.852 0.000 2.284 158 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 158 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 158 G C 1.204 175.700 174.900 -0.673 0.000 1.009 158 G CA 0.353 44.588 45.100 -1.442 0.000 0.625 158 G HN 0.576 nan 8.290 nan 0.000 0.501 159 S N 0.346 115.679 115.700 -0.611 0.000 2.555 159 S HA 0.178 4.648 4.470 -0.000 0.000 0.230 159 S C 1.412 175.566 174.600 -0.743 0.000 0.978 159 S CA 1.445 59.111 58.200 -0.890 0.000 0.934 159 S CB -0.028 62.554 63.200 -1.030 0.000 0.766 159 S HN 0.619 nan 8.310 nan 0.000 0.533 160 E N 0.845 120.693 120.200 -0.586 0.000 2.479 160 E HA 0.375 4.724 4.350 -0.000 0.000 0.193 160 E C 0.635 176.915 176.600 -0.534 0.000 1.049 160 E CA 0.122 56.158 56.400 -0.607 0.000 0.870 160 E CB 0.424 29.974 29.700 -0.250 0.000 0.944 160 E HN 0.683 nan 8.360 nan 0.000 0.492 161 A N 1.033 123.575 122.820 -0.463 0.000 2.281 161 A HA 0.681 5.001 4.320 -0.000 0.000 0.329 161 A C -0.086 177.342 177.584 -0.260 0.000 1.122 161 A CA -0.465 51.401 52.037 -0.284 0.000 0.850 161 A CB 0.950 19.811 19.000 -0.232 0.000 1.207 161 A HN 0.133 nan 8.150 nan 0.000 0.495 162 A N 1.815 124.557 122.820 -0.129 0.000 3.094 162 A HA 0.520 4.840 4.320 -0.000 0.000 0.288 162 A C -0.015 177.575 177.584 0.011 0.000 1.519 162 A CA -0.288 51.706 52.037 -0.071 0.000 1.227 162 A CB -1.094 17.879 19.000 -0.045 0.000 1.175 162 A HN 0.634 nan 8.150 nan 0.000 0.568 163 I N 0.868 121.459 120.570 0.034 0.000 2.598 163 I HA 0.023 4.192 4.170 -0.000 0.000 0.284 163 I C 0.819 176.978 176.117 0.070 0.000 1.140 163 I CA -0.006 61.346 61.300 0.087 0.000 1.420 163 I CB 0.504 38.571 38.000 0.111 0.000 1.387 163 I HN 0.675 nan 8.210 nan 0.000 0.553 164 K N 4.643 125.087 120.400 0.075 0.000 3.016 164 K HA -0.238 4.082 4.320 -0.000 0.000 0.262 164 K C 0.857 177.480 176.600 0.038 0.000 1.043 164 K CA 0.717 57.035 56.287 0.050 0.000 0.761 164 K CB -1.499 31.022 32.500 0.035 0.000 1.230 164 K HN 1.179 nan 8.250 nan 0.000 0.485 165 G N -1.688 107.135 108.800 0.039 0.000 2.153 165 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.252 165 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.252 165 G C -0.020 174.895 174.900 0.025 0.000 0.994 165 G CA 0.138 45.255 45.100 0.029 0.000 0.698 165 G HN 0.315 nan 8.290 nan 0.000 0.521 166 V N 0.380 120.313 119.914 0.031 0.000 2.531 166 V HA 0.645 4.765 4.120 -0.000 0.000 0.301 166 V C 0.419 176.536 176.094 0.038 0.000 1.034 166 V CA -1.000 61.325 62.300 0.041 0.000 0.865 166 V CB 1.713 33.571 31.823 0.057 0.000 0.995 166 V HN 0.400 nan 8.190 nan 0.000 0.424 167 R N 3.957 124.452 120.500 -0.007 0.000 2.720 167 R HA 0.587 4.927 4.340 -0.000 0.000 0.272 167 R C -2.633 173.650 176.300 -0.028 0.000 0.991 167 R CA -1.891 54.137 56.100 -0.121 0.000 1.010 167 R CB 1.373 31.509 30.300 -0.273 0.000 1.141 167 R HN 0.410 nan 8.270 nan 0.000 0.494 168 P HA 0.041 nan 4.420 nan 0.000 0.270 168 P C -0.005 177.348 177.300 0.088 0.000 1.223 168 P CA 0.088 63.159 63.100 -0.048 0.000 0.785 168 P CB 0.671 32.220 31.700 -0.251 0.000 0.923 169 S N -0.402 115.328 115.700 0.050 0.000 2.383 169 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 169 S C 0.551 175.100 174.600 -0.085 0.000 1.026 169 S CA 1.268 59.472 58.200 0.008 0.000 0.981 169 S CB -0.226 62.944 63.200 -0.051 0.000 0.818 169 S HN 0.541 nan 8.310 nan 0.000 0.472 170 Q N 0.184 119.851 119.800 -0.222 0.000 2.356 170 Q HA 0.489 4.828 4.340 -0.000 0.000 0.270 170 Q C -1.030 174.749 176.000 -0.368 0.000 1.058 170 Q CA -0.662 54.873 55.803 -0.445 0.000 0.802 170 Q CB 2.313 30.531 28.738 -0.866 0.000 1.303 170 Q HN 0.531 nan 8.270 nan 0.000 0.444 171 W N 0.795 121.870 121.300 -0.376 0.000 2.895 171 W HA 0.645 5.305 4.660 -0.000 0.000 0.377 171 W C -1.625 174.742 176.519 -0.252 0.000 1.191 171 W CA -0.826 56.317 57.345 -0.337 0.000 1.179 171 W CB 1.029 30.253 29.460 -0.392 0.000 1.469 171 W HN 0.774 nan 8.180 nan 0.000 0.577 172 R N 0.206 120.721 120.500 0.024 0.000 2.716 172 R HA 0.361 4.701 4.340 -0.000 0.000 0.271 172 R C -1.193 175.073 176.300 -0.058 0.000 1.028 172 R CA -0.944 55.049 56.100 -0.180 0.000 0.883 172 R CB 1.759 31.840 30.300 -0.364 0.000 1.250 172 R HN 0.457 nan 8.270 nan 0.000 0.465 173 H N 1.484 120.605 119.070 0.085 0.000 2.819 173 H HA 0.034 4.590 4.556 -0.000 0.000 0.303 173 H C -0.546 174.768 175.328 -0.024 0.000 1.058 173 H CA 0.004 56.095 56.048 0.072 0.000 1.471 173 H CB 0.372 30.176 29.762 0.069 0.000 1.480 173 H HN 0.472 nan 8.280 nan 0.000 0.517 174 Y N 2.997 123.294 120.300 -0.004 0.000 2.702 174 Y HA 0.019 4.569 4.550 -0.000 0.000 0.336 174 Y C -0.052 175.847 175.900 -0.001 0.000 1.235 174 Y CA 0.409 58.475 58.100 -0.057 0.000 1.492 174 Y CB 0.428 38.859 38.460 -0.048 0.000 1.308 174 Y HN 0.579 nan 8.280 nan 0.000 0.589 175 Q N 4.037 123.374 119.800 -0.772 0.000 2.416 175 Q HA 0.350 4.690 4.340 -0.000 0.000 0.281 175 Q C -1.363 174.178 176.000 -0.765 0.000 1.067 175 Q CA -1.013 54.445 55.803 -0.575 0.000 0.809 175 Q CB 1.488 30.087 28.738 -0.233 0.000 1.418 175 Q HN 0.523 nan 8.270 nan 0.000 0.411 176 K N 0.445 120.622 120.400 -0.371 0.000 2.319 176 K HA 0.410 4.729 4.320 -0.000 0.000 0.265 176 K C 0.652 177.197 176.600 -0.091 0.000 1.000 176 K CA 0.905 57.095 56.287 -0.162 0.000 0.943 176 K CB 0.289 32.786 32.500 -0.004 0.000 0.950 176 K HN 0.904 nan 8.250 nan 0.000 0.485 177 G N 0.228 109.021 108.800 -0.012 0.000 2.147 177 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.244 177 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.244 177 G C 0.078 175.017 174.900 0.065 0.000 1.005 177 G CA 0.122 45.247 45.100 0.041 0.000 0.713 177 G HN 0.337 nan 8.290 nan 0.000 0.515 178 V N 0.939 120.904 119.914 0.085 0.000 2.637 178 V HA 0.284 4.404 4.120 -0.000 0.000 0.296 178 V C 1.477 177.659 176.094 0.147 0.000 1.046 178 V CA -0.247 62.134 62.300 0.135 0.000 1.066 178 V CB 0.882 32.862 31.823 0.261 0.000 0.968 178 V HN 0.471 nan 8.190 nan 0.000 0.483 179 R N 3.226 123.781 120.500 0.090 0.000 2.643 179 R HA 0.187 4.527 4.340 -0.000 0.000 0.270 179 R C 1.241 177.557 176.300 0.027 0.000 1.061 179 R CA -0.393 55.745 56.100 0.063 0.000 1.107 179 R CB 0.321 30.633 30.300 0.021 0.000 0.999 179 R HN 0.595 nan 8.270 nan 0.000 0.460 180 L N 1.240 122.476 121.223 0.022 0.000 2.013 180 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 180 L C 1.536 178.367 176.870 -0.065 0.000 1.073 180 L CA 1.444 56.287 54.840 0.004 0.000 0.753 180 L CB -0.313 41.729 42.059 -0.028 0.000 0.890 180 L HN 0.683 nan 8.230 nan 0.000 0.432 181 D N -0.903 119.456 120.400 -0.068 0.000 2.224 181 D HA -0.110 4.530 4.640 -0.000 0.000 0.205 181 D C 2.082 178.298 176.300 -0.139 0.000 0.965 181 D CA 1.410 55.354 54.000 -0.093 0.000 0.852 181 D CB 0.089 40.849 40.800 -0.067 0.000 0.947 181 D HN 0.359 nan 8.370 nan 0.000 0.494 182 T N 1.618 116.093 114.554 -0.132 0.000 2.674 182 T HA -0.185 4.165 4.350 -0.000 0.000 0.265 182 T C 2.032 176.519 174.700 -0.354 0.000 1.039 182 T CA 1.303 63.312 62.100 -0.153 0.000 1.150 182 T CB -0.089 68.749 68.868 -0.050 0.000 0.864 182 T HN 0.358 nan 8.240 nan 0.000 0.427 183 R N 0.991 121.143 120.500 -0.580 0.000 2.115 183 R HA 0.048 4.387 4.340 -0.000 0.000 0.226 183 R C 2.230 178.017 176.300 -0.854 0.000 1.100 183 R CA 0.906 56.229 56.100 -1.296 0.000 0.980 183 R CB -0.986 28.272 30.300 -1.736 0.000 0.875 183 R HN 0.215 nan 8.270 nan 0.000 0.445 184 V N 2.411 122.043 119.914 -0.471 0.000 2.295 184 V HA -0.233 3.886 4.120 -0.000 0.000 0.246 184 V C 1.702 177.634 176.094 -0.270 0.000 1.049 184 V CA 2.216 64.347 62.300 -0.281 0.000 1.024 184 V CB -0.566 31.176 31.823 -0.136 0.000 0.648 184 V HN 0.292 nan 8.190 nan 0.000 0.447 185 D N 0.275 120.519 120.400 -0.260 0.000 2.116 185 D HA -0.166 4.474 4.640 -0.000 0.000 0.193 185 D C 2.210 178.330 176.300 -0.299 0.000 0.998 185 D CA 1.781 55.649 54.000 -0.220 0.000 0.836 185 D CB -0.378 40.317 40.800 -0.175 0.000 0.951 185 D HN 0.433 nan 8.370 nan 0.000 0.449 186 A N 0.279 122.833 122.820 -0.444 0.000 1.858 186 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 186 A C 2.556 179.599 177.584 -0.902 0.000 1.190 186 A CA 1.469 53.099 52.037 -0.678 0.000 0.617 186 A CB -0.855 17.754 19.000 -0.651 0.000 0.827 186 A HN 0.156 nan 8.150 nan 0.000 0.443 187 V N -0.030 119.499 119.914 -0.642 0.000 2.343 187 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 187 V C 2.655 178.700 176.094 -0.082 0.000 1.051 187 V CA 2.285 64.433 62.300 -0.254 0.000 1.036 187 V CB -0.799 30.953 31.823 -0.117 0.000 0.654 187 V HN 0.638 nan 8.190 nan 0.000 0.451 188 R N 0.088 120.507 120.500 -0.135 0.000 2.091 188 R HA -0.159 4.180 4.340 -0.000 0.000 0.238 188 R C 2.351 178.634 176.300 -0.029 0.000 1.136 188 R CA 1.837 57.901 56.100 -0.059 0.000 0.959 188 R CB -0.749 29.502 30.300 -0.081 0.000 0.856 188 R HN 0.555 nan 8.270 nan 0.000 0.437 189 G N 0.029 108.771 108.800 -0.096 0.000 2.418 189 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 189 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 189 G C 0.840 175.819 174.900 0.131 0.000 1.158 189 G CA 0.561 45.642 45.100 -0.031 0.000 0.771 189 G HN 0.358 nan 8.290 nan 0.000 0.545 190 W N 0.705 122.026 121.300 0.035 0.000 2.374 190 W HA 0.148 4.807 4.660 -0.000 0.000 0.288 190 W C 2.434 178.978 176.519 0.043 0.000 1.218 190 W CA 0.199 57.570 57.345 0.043 0.000 1.245 190 W CB -0.960 28.541 29.460 0.067 0.000 1.126 190 W HN 0.173 nan 8.180 nan 0.000 0.545 191 L N -0.169 121.209 121.223 0.258 0.000 2.217 191 L HA -0.055 4.285 4.340 -0.000 0.000 0.211 191 L C 2.487 179.428 176.870 0.118 0.000 1.107 191 L CA 1.215 56.153 54.840 0.163 0.000 0.783 191 L CB -0.887 41.244 42.059 0.119 0.000 0.919 191 L HN -0.147 nan 8.230 nan 0.000 0.442 192 A N -0.657 122.227 122.820 0.106 0.000 2.123 192 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 192 A C 1.271 178.901 177.584 0.078 0.000 1.152 192 A CA 0.603 52.684 52.037 0.074 0.000 0.728 192 A CB -0.705 18.325 19.000 0.050 0.000 0.814 192 A HN 0.407 nan 8.150 nan 0.000 0.464 193 T N 0.983 115.599 114.554 0.103 0.000 2.902 193 T HA 0.373 4.723 4.350 -0.000 0.000 0.301 193 T C -0.189 174.554 174.700 0.071 0.000 1.012 193 T CA 0.071 62.223 62.100 0.087 0.000 1.151 193 T CB 0.637 69.566 68.868 0.102 0.000 0.946 193 T HN 0.482 nan 8.240 nan 0.000 0.542 194 D N 1.157 121.590 120.400 0.054 0.000 2.712 194 D HA 0.679 5.319 4.640 -0.000 0.000 0.252 194 D C 0.929 177.255 176.300 0.044 0.000 1.123 194 D CA 0.040 54.070 54.000 0.050 0.000 1.109 194 D CB 0.332 41.157 40.800 0.042 0.000 1.313 194 D HN 1.038 nan 8.370 nan 0.000 0.629 195 G N -0.637 108.188 108.800 0.041 0.000 2.575 195 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.267 195 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.267 195 G C 0.972 175.906 174.900 0.056 0.000 1.264 195 G CA 1.616 46.740 45.100 0.039 0.000 0.935 195 G HN 1.292 nan 8.290 nan 0.000 0.568 196 A N -1.584 121.269 122.820 0.056 0.000 2.067 196 A HA 0.116 4.436 4.320 -0.000 0.000 0.219 196 A C 2.163 179.823 177.584 0.127 0.000 1.158 196 A CA 2.393 54.488 52.037 0.097 0.000 0.661 196 A CB -0.289 18.763 19.000 0.085 0.000 0.801 196 A HN 0.756 nan 8.150 nan 0.000 0.452 197 Q N -0.347 119.463 119.800 0.017 0.000 2.415 197 Q HA 0.108 4.448 4.340 -0.000 0.000 0.206 197 Q C 0.816 176.820 176.000 0.007 0.000 0.946 197 Q CA -0.033 55.703 55.803 -0.111 0.000 0.951 197 Q CB -0.252 28.420 28.738 -0.110 0.000 1.026 197 Q HN 0.621 nan 8.270 nan 0.000 0.510 198 R N 1.885 122.451 120.500 0.111 0.000 2.537 198 R HA -0.036 4.304 4.340 -0.000 0.000 0.281 198 R C -0.800 175.594 176.300 0.157 0.000 0.988 198 R CA 0.316 56.488 56.100 0.121 0.000 1.077 198 R CB 0.347 30.712 30.300 0.108 0.000 0.932 198 R HN 0.119 nan 8.270 nan 0.000 0.409 199 N N 3.753 122.523 118.700 0.116 0.000 2.457 199 N HA 0.047 4.787 4.740 -0.000 0.000 0.250 199 N C 0.400 175.966 175.510 0.093 0.000 0.982 199 N CA -0.267 52.847 53.050 0.108 0.000 0.941 199 N CB 1.770 40.303 38.487 0.076 0.000 1.120 199 N HN 0.532 nan 8.380 nan 0.000 0.505 200 R N 1.984 122.530 120.500 0.076 0.000 2.115 200 R HA 0.082 4.422 4.340 -0.000 0.000 0.230 200 R C -0.035 176.300 176.300 0.059 0.000 1.111 200 R CA 1.117 57.251 56.100 0.056 0.000 0.976 200 R CB -0.099 30.216 30.300 0.024 0.000 0.870 200 R HN 0.510 nan 8.270 nan 0.000 0.445 201 L N 0.258 121.518 121.223 0.062 0.000 2.362 201 L HA 0.553 4.893 4.340 -0.000 0.000 0.275 201 L C -1.588 175.330 176.870 0.080 0.000 0.998 201 L CA -0.844 54.035 54.840 0.066 0.000 0.820 201 L CB 2.428 44.523 42.059 0.060 0.000 1.270 201 L HN -0.161 nan 8.230 nan 0.000 0.415 202 V N 3.139 123.122 119.914 0.115 0.000 2.638 202 V HA 0.694 4.814 4.120 -0.000 0.000 0.306 202 V C -0.154 176.068 176.094 0.213 0.000 1.052 202 V CA -0.260 62.150 62.300 0.183 0.000 0.885 202 V CB 2.087 34.065 31.823 0.258 0.000 0.999 202 V HN 0.893 nan 8.190 nan 0.000 0.424 203 T N 2.848 117.565 114.554 0.272 0.000 2.885 203 T HA 0.865 5.215 4.350 -0.000 0.000 0.285 203 T C -1.128 173.861 174.700 0.481 0.000 1.019 203 T CA -0.709 61.598 62.100 0.344 0.000 1.010 203 T CB 1.921 70.972 68.868 0.306 0.000 1.022 203 T HN 0.510 nan 8.240 nan 0.000 0.466 204 L N 2.255 123.763 121.223 0.475 0.000 2.409 204 L HA 0.806 5.146 4.340 -0.000 0.000 0.262 204 L C -1.919 175.177 176.870 0.377 0.000 0.992 204 L CA -1.083 53.958 54.840 0.334 0.000 0.817 204 L CB 2.121 44.249 42.059 0.115 0.000 1.350 204 L HN 0.915 nan 8.230 nan 0.000 0.411 205 Y N 3.605 123.941 120.300 0.059 0.000 2.457 205 Y HA 0.735 5.284 4.550 -0.000 0.000 0.343 205 Y C -1.983 173.814 175.900 -0.171 0.000 0.994 205 Y CA -0.983 57.151 58.100 0.057 0.000 1.031 205 Y CB 1.730 40.244 38.460 0.091 0.000 1.246 205 Y HN 0.493 nan 8.280 nan 0.000 0.449 206 F N 5.121 124.678 119.950 -0.655 0.000 2.518 206 F HA 0.327 4.854 4.527 -0.000 0.000 0.323 206 F C 0.789 176.137 175.800 -0.754 0.000 1.129 206 F CA -0.751 57.013 58.000 -0.392 0.000 0.920 206 F CB 1.929 40.865 39.000 -0.106 0.000 1.160 206 F HN 0.633 nan 8.300 nan 0.000 0.440 207 E N 1.515 121.602 120.200 -0.189 0.000 2.474 207 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 207 E C 0.691 177.297 176.600 0.011 0.000 1.041 207 E CA 0.861 57.226 56.400 -0.059 0.000 0.874 207 E CB -0.318 29.494 29.700 0.185 0.000 0.914 207 E HN 0.768 nan 8.360 nan 0.000 0.498 208 H N 0.979 120.093 119.070 0.072 0.000 2.389 208 H HA -0.003 4.553 4.556 -0.000 0.000 0.299 208 H C 2.185 177.515 175.328 0.003 0.000 1.081 208 H CA 1.567 57.652 56.048 0.062 0.000 1.345 208 H CB -0.118 29.668 29.762 0.040 0.000 1.393 208 H HN -0.012 nan 8.280 nan 0.000 0.520 209 V N 0.619 120.557 119.914 0.039 0.000 2.307 209 V HA -0.231 3.888 4.120 -0.000 0.000 0.245 209 V C 2.088 178.182 176.094 -0.001 0.000 1.045 209 V CA 2.121 64.324 62.300 -0.162 0.000 1.024 209 V CB -0.437 31.200 31.823 -0.311 0.000 0.651 209 V HN 0.438 nan 8.190 nan 0.000 0.449 210 D N 0.041 120.494 120.400 0.089 0.000 2.104 210 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 210 D C 2.143 178.611 176.300 0.281 0.000 0.994 210 D CA 1.658 55.775 54.000 0.195 0.000 0.830 210 D CB -0.048 40.897 40.800 0.241 0.000 0.959 210 D HN 0.548 nan 8.370 nan 0.000 0.452 211 E N -0.016 120.338 120.200 0.257 0.000 2.051 211 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 211 E C 2.219 178.966 176.600 0.245 0.000 0.991 211 E CA 0.994 57.551 56.400 0.261 0.000 0.799 211 E CB -0.242 29.558 29.700 0.168 0.000 0.748 211 E HN 0.395 nan 8.360 nan 0.000 0.449 212 A N 1.355 124.313 122.820 0.230 0.000 1.933 212 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 212 A C 2.430 180.221 177.584 0.344 0.000 1.175 212 A CA 1.722 53.936 52.037 0.295 0.000 0.628 212 A CB -1.076 18.064 19.000 0.233 0.000 0.814 212 A HN 0.356 nan 8.150 nan 0.000 0.444 213 G N -1.309 107.719 108.800 0.380 0.000 2.421 213 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 213 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 213 G C 1.525 176.481 174.900 0.092 0.000 1.171 213 G CA 1.059 46.339 45.100 0.299 0.000 0.775 213 G HN 0.656 nan 8.290 nan 0.000 0.543 214 H N 0.913 120.074 119.070 0.152 0.000 2.321 214 H HA -0.059 4.497 4.556 -0.000 0.000 0.300 214 H C 2.223 177.534 175.328 -0.028 0.000 1.087 214 H CA 1.607 57.692 56.048 0.063 0.000 1.319 214 H CB -0.076 29.721 29.762 0.058 0.000 1.379 214 H HN 0.253 nan 8.280 nan 0.000 0.501 215 D N -0.483 119.941 120.400 0.040 0.000 2.183 215 D HA -0.074 4.566 4.640 -0.000 0.000 0.203 215 D C 1.433 177.423 176.300 -0.517 0.000 0.969 215 D CA 1.120 54.941 54.000 -0.298 0.000 0.842 215 D CB 0.077 40.599 40.800 -0.463 0.000 0.957 215 D HN 0.564 nan 8.370 nan 0.000 0.484 216 H N -1.734 117.387 119.070 0.085 0.000 3.535 216 H HA 0.393 4.949 4.556 -0.000 0.000 0.260 216 H C 1.023 176.363 175.328 0.020 0.000 1.173 216 H CA 0.579 56.658 56.048 0.052 0.000 1.168 216 H CB 1.284 31.088 29.762 0.070 0.000 1.568 216 H HN 0.084 nan 8.280 nan 0.000 0.602 217 G N 2.430 111.281 108.800 0.085 0.000 2.712 217 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.686 217 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.686 217 G C -1.970 172.854 174.900 -0.126 0.000 1.321 217 G CA -0.303 44.783 45.100 -0.022 0.000 0.813 217 G HN 0.002 nan 8.290 nan 0.000 0.599 218 P HA 0.035 nan 4.420 nan 0.000 0.229 218 P C 0.902 177.931 177.300 -0.453 0.000 1.160 218 P CA 1.148 63.764 63.100 -0.806 0.000 0.777 218 P CB 0.291 31.613 31.700 -0.630 0.000 0.814 219 E N 0.153 120.242 120.200 -0.185 0.000 2.479 219 E HA 0.057 4.407 4.350 -0.000 0.000 0.193 219 E C 0.912 177.509 176.600 -0.005 0.000 1.049 219 E CA 0.144 56.500 56.400 -0.074 0.000 0.870 219 E CB 0.003 29.668 29.700 -0.058 0.000 0.944 219 E HN 0.332 nan 8.360 nan 0.000 0.492 220 S N 0.463 116.179 115.700 0.027 0.000 2.603 220 S HA 0.230 4.700 4.470 -0.000 0.000 0.268 220 S C 1.130 175.774 174.600 0.072 0.000 1.317 220 S CA -0.643 57.591 58.200 0.058 0.000 1.012 220 S CB 2.301 65.561 63.200 0.100 0.000 0.926 220 S HN -0.031 nan 8.310 nan 0.000 0.539 221 R N 1.092 121.604 120.500 0.021 0.000 2.105 221 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 221 R C 2.096 178.400 176.300 0.008 0.000 1.135 221 R CA 2.075 58.178 56.100 0.005 0.000 0.967 221 R CB -1.066 29.216 30.300 -0.029 0.000 0.861 221 R HN 0.829 nan 8.270 nan 0.000 0.442 222 Q N -1.324 118.463 119.800 -0.021 0.000 2.079 222 Q HA -0.118 4.221 4.340 -0.000 0.000 0.200 222 Q C 1.808 177.868 176.000 0.099 0.000 0.974 222 Q CA 1.870 57.663 55.803 -0.016 0.000 0.840 222 Q CB -0.493 28.143 28.738 -0.169 0.000 0.898 222 Q HN 0.471 nan 8.270 nan 0.000 0.430 223 Y N 0.701 121.025 120.300 0.040 0.000 2.097 223 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 223 Y C 2.199 178.107 175.900 0.013 0.000 1.152 223 Y CA 1.624 59.751 58.100 0.044 0.000 1.136 223 Y CB -0.447 38.040 38.460 0.045 0.000 0.975 223 Y HN 0.123 nan 8.280 nan 0.000 0.498 224 A N 0.022 122.941 122.820 0.166 0.000 1.902 224 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 224 A C 1.918 179.481 177.584 -0.035 0.000 1.181 224 A CA 2.052 54.126 52.037 0.062 0.000 0.623 224 A CB -0.891 18.154 19.000 0.076 0.000 0.818 224 A HN 0.542 nan 8.150 nan 0.000 0.443 225 D N 0.051 120.436 120.400 -0.026 0.000 2.144 225 D HA -0.057 4.583 4.640 -0.000 0.000 0.199 225 D C 2.216 178.465 176.300 -0.084 0.000 0.984 225 D CA 1.502 55.473 54.000 -0.049 0.000 0.834 225 D CB -0.433 40.347 40.800 -0.033 0.000 0.955 225 D HN 0.429 nan 8.370 nan 0.000 0.465 226 A N 0.513 123.276 122.820 -0.094 0.000 1.902 226 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 226 A C 2.527 179.982 177.584 -0.214 0.000 1.181 226 A CA 1.214 53.176 52.037 -0.124 0.000 0.623 226 A CB -0.732 18.212 19.000 -0.094 0.000 0.818 226 A HN 0.145 nan 8.150 nan 0.000 0.443 227 V N 0.201 119.955 119.914 -0.266 0.000 2.295 227 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 227 V C 2.650 178.623 176.094 -0.202 0.000 1.049 227 V CA 2.321 64.465 62.300 -0.260 0.000 1.024 227 V CB -0.854 30.831 31.823 -0.230 0.000 0.648 227 V HN 0.542 nan 8.190 nan 0.000 0.447 228 R N 0.140 120.550 120.500 -0.150 0.000 2.081 228 R HA -0.136 4.203 4.340 -0.000 0.000 0.235 228 R C 2.427 178.631 176.300 -0.160 0.000 1.131 228 R CA 1.512 57.535 56.100 -0.128 0.000 0.960 228 R CB -0.626 29.621 30.300 -0.088 0.000 0.856 228 R HN 0.550 nan 8.270 nan 0.000 0.436 229 A N 0.769 123.482 122.820 -0.178 0.000 1.873 229 A HA -0.097 4.222 4.320 -0.000 0.000 0.215 229 A C 2.398 179.802 177.584 -0.299 0.000 1.186 229 A CA 1.297 53.212 52.037 -0.203 0.000 0.616 229 A CB -0.556 18.328 19.000 -0.193 0.000 0.823 229 A HN 0.104 nan 8.150 nan 0.000 0.442 230 V N 0.598 120.270 119.914 -0.402 0.000 2.295 230 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 230 V C 2.329 178.093 176.094 -0.550 0.000 1.049 230 V CA 2.582 64.480 62.300 -0.670 0.000 1.024 230 V CB -0.885 30.504 31.823 -0.724 0.000 0.648 230 V HN 0.789 nan 8.190 nan 0.000 0.447 231 D N 0.146 120.337 120.400 -0.348 0.000 2.104 231 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 231 D C 2.107 178.293 176.300 -0.190 0.000 0.994 231 D CA 1.580 55.438 54.000 -0.236 0.000 0.830 231 D CB -0.174 40.530 40.800 -0.161 0.000 0.959 231 D HN 0.381 nan 8.370 nan 0.000 0.452 232 A N 0.440 123.154 122.820 -0.176 0.000 1.902 232 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 232 A C 2.393 179.899 177.584 -0.131 0.000 1.181 232 A CA 2.151 54.109 52.037 -0.133 0.000 0.623 232 A CB -1.155 17.774 19.000 -0.118 0.000 0.818 232 A HN 0.362 nan 8.150 nan 0.000 0.443 233 A N -0.088 122.628 122.820 -0.173 0.000 1.902 233 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 233 A C 2.109 179.651 177.584 -0.071 0.000 1.181 233 A CA 1.562 53.528 52.037 -0.118 0.000 0.623 233 A CB -0.609 18.320 19.000 -0.118 0.000 0.818 233 A HN 0.508 nan 8.150 nan 0.000 0.443 234 I N -0.343 120.151 120.570 -0.127 0.000 2.286 234 I HA -0.190 3.979 4.170 -0.000 0.000 0.248 234 I C 2.678 178.773 176.117 -0.036 0.000 1.115 234 I CA 1.001 62.272 61.300 -0.048 0.000 1.392 234 I CB -0.582 37.368 38.000 -0.085 0.000 1.065 234 I HN 0.401 nan 8.210 nan 0.000 0.418 235 G N 0.814 109.577 108.800 -0.061 0.000 2.440 235 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 235 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 235 G C 1.809 176.685 174.900 -0.041 0.000 1.154 235 G CA 0.473 45.544 45.100 -0.048 0.000 0.767 235 G HN 0.299 nan 8.290 nan 0.000 0.552 236 R N -0.599 119.873 120.500 -0.047 0.000 2.096 236 R HA 0.007 4.347 4.340 -0.000 0.000 0.235 236 R C 2.459 178.740 176.300 -0.033 0.000 1.127 236 R CA 1.009 57.083 56.100 -0.043 0.000 0.968 236 R CB -0.536 29.734 30.300 -0.049 0.000 0.861 236 R HN 0.381 nan 8.270 nan 0.000 0.440 237 L N 1.392 122.602 121.223 -0.023 0.000 2.012 237 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 237 L C 1.985 178.851 176.870 -0.007 0.000 1.073 237 L CA 1.689 56.521 54.840 -0.013 0.000 0.748 237 L CB -0.525 41.542 42.059 0.014 0.000 0.891 237 L HN 0.116 nan 8.230 nan 0.000 0.431 238 L N -0.591 120.630 121.223 -0.003 0.000 2.042 238 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 238 L C 2.685 179.551 176.870 -0.007 0.000 1.076 238 L CA 1.267 56.108 54.840 0.001 0.000 0.749 238 L CB -1.036 41.026 42.059 0.006 0.000 0.893 238 L HN 0.406 nan 8.230 nan 0.000 0.432 239 A N 0.353 123.163 122.820 -0.017 0.000 1.902 239 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 239 A C 2.418 179.991 177.584 -0.019 0.000 1.181 239 A CA 1.741 53.766 52.037 -0.021 0.000 0.623 239 A CB -1.246 17.737 19.000 -0.029 0.000 0.818 239 A HN 0.445 nan 8.150 nan 0.000 0.443 240 G N -0.623 108.164 108.800 -0.021 0.000 2.418 240 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 240 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 240 G C 1.635 176.528 174.900 -0.012 0.000 1.158 240 G CA 1.198 46.286 45.100 -0.021 0.000 0.771 240 G HN 0.469 nan 8.290 nan 0.000 0.545 241 M N -0.209 119.387 119.600 -0.006 0.000 2.159 241 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 241 M C 2.592 178.892 176.300 0.001 0.000 1.063 241 M CA 1.636 56.938 55.300 0.003 0.000 1.110 241 M CB -0.176 32.429 32.600 0.009 0.000 1.374 241 M HN 0.255 nan 8.290 nan 0.000 0.411 242 Q N 0.814 120.612 119.800 -0.003 0.000 2.050 242 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 242 Q C 1.874 177.871 176.000 -0.004 0.000 0.980 242 Q CA 1.842 57.643 55.803 -0.004 0.000 0.840 242 Q CB -0.093 28.642 28.738 -0.006 0.000 0.898 242 Q HN 0.378 nan 8.270 nan 0.000 0.424 243 R N -0.018 120.478 120.500 -0.007 0.000 2.120 243 R HA -0.093 4.246 4.340 -0.000 0.000 0.234 243 R C 1.249 177.547 176.300 -0.003 0.000 1.123 243 R CA 1.296 57.392 56.100 -0.007 0.000 0.975 243 R CB -0.086 30.207 30.300 -0.012 0.000 0.866 243 R HN 0.337 nan 8.270 nan 0.000 0.446 244 D N -0.907 119.493 120.400 -0.001 0.000 2.347 244 D HA 0.035 4.674 4.640 -0.000 0.000 0.213 244 D C 1.141 177.447 176.300 0.010 0.000 0.985 244 D CA 1.029 55.032 54.000 0.005 0.000 0.879 244 D CB 0.323 41.127 40.800 0.007 0.000 0.919 244 D HN 0.423 nan 8.370 nan 0.000 0.526 245 G N 0.575 109.379 108.800 0.007 0.000 2.136 245 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.242 245 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.242 245 G C 1.175 176.083 174.900 0.013 0.000 0.989 245 G CA 1.118 46.224 45.100 0.009 0.000 0.682 245 G HN 0.428 nan 8.290 nan 0.000 0.522 246 T N -2.578 111.985 114.554 0.014 0.000 3.037 246 T HA 0.229 4.579 4.350 -0.000 0.000 0.251 246 T C 1.995 176.698 174.700 0.006 0.000 1.079 246 T CA 1.127 63.239 62.100 0.020 0.000 1.067 246 T CB 0.224 69.112 68.868 0.033 0.000 0.948 246 T HN 0.360 nan 8.240 nan 0.000 0.496 247 R N 2.618 123.117 120.500 -0.001 0.000 2.080 247 R HA 0.176 4.515 4.340 -0.000 0.000 0.236 247 R C 2.498 178.776 176.300 -0.037 0.000 1.137 247 R CA 1.943 58.036 56.100 -0.011 0.000 0.943 247 R CB -1.250 29.046 30.300 -0.007 0.000 0.846 247 R HN 0.422 nan 8.270 nan 0.000 0.431 248 A N 0.527 123.322 122.820 -0.042 0.000 2.067 248 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 248 A C 1.528 179.019 177.584 -0.155 0.000 1.158 248 A CA 1.555 53.548 52.037 -0.074 0.000 0.661 248 A CB -0.373 18.600 19.000 -0.046 0.000 0.801 248 A HN 0.483 nan 8.150 nan 0.000 0.452 249 R N -0.973 119.446 120.500 -0.136 0.000 2.507 249 R HA 0.266 4.606 4.340 -0.000 0.000 0.298 249 R C -0.733 175.468 176.300 -0.165 0.000 0.999 249 R CA 0.177 56.136 56.100 -0.236 0.000 1.082 249 R CB -1.343 28.957 30.300 0.000 0.000 1.246 249 R HN 0.032 nan 8.270 nan 0.000 0.553 250 T N 0.981 115.466 114.554 -0.115 0.000 2.809 250 T HA 0.385 4.735 4.350 -0.000 0.000 0.284 250 T C -0.840 173.834 174.700 -0.043 0.000 0.992 250 T CA -0.773 61.308 62.100 -0.032 0.000 0.957 250 T CB 1.106 69.979 68.868 0.010 0.000 0.942 250 T HN 0.139 nan 8.240 nan 0.000 0.439 251 N N 2.878 121.573 118.700 -0.010 0.000 2.529 251 N HA 0.421 5.161 4.740 -0.000 0.000 0.278 251 N C -0.537 174.981 175.510 0.013 0.000 1.146 251 N CA -0.141 52.908 53.050 -0.002 0.000 0.980 251 N CB 1.160 39.662 38.487 0.025 0.000 1.124 251 N HN 0.543 nan 8.380 nan 0.000 0.458 252 I N 2.383 122.953 120.570 -0.001 0.000 2.498 252 I HA 0.430 4.600 4.170 -0.000 0.000 0.290 252 I C -0.259 175.844 176.117 -0.023 0.000 1.032 252 I CA -0.578 60.726 61.300 0.006 0.000 1.073 252 I CB 1.737 39.739 38.000 0.003 0.000 1.251 252 I HN 0.206 nan 8.210 nan 0.000 0.426 253 I N 6.301 126.869 120.570 -0.003 0.000 2.436 253 I HA 0.430 4.600 4.170 -0.000 0.000 0.289 253 I C -0.754 175.361 176.117 -0.002 0.000 1.010 253 I CA -0.869 60.396 61.300 -0.058 0.000 1.098 253 I CB 2.251 40.266 38.000 0.024 0.000 1.266 253 I HN 0.181 nan 8.210 nan 0.000 0.434 254 V N 7.069 126.936 119.914 -0.078 0.000 2.448 254 V HA 0.582 4.702 4.120 -0.000 0.000 0.295 254 V C -0.077 176.032 176.094 0.024 0.000 1.025 254 V CA -0.606 61.704 62.300 0.018 0.000 0.859 254 V CB 1.772 33.594 31.823 -0.001 0.000 0.988 254 V HN 0.539 nan 8.190 nan 0.000 0.431 255 V N 1.773 121.773 119.914 0.144 0.000 3.141 255 V HA 1.000 5.119 4.120 -0.000 0.000 0.312 255 V C -0.200 175.960 176.094 0.109 0.000 1.157 255 V CA -0.643 61.762 62.300 0.176 0.000 1.041 255 V CB 2.065 34.063 31.823 0.291 0.000 1.071 255 V HN 0.894 nan 8.190 nan 0.000 0.441 256 S N -0.409 115.324 115.700 0.055 0.000 2.677 256 S HA 0.567 5.037 4.470 -0.000 0.000 0.304 256 S C 0.154 174.672 174.600 -0.137 0.000 1.108 256 S CA 0.071 58.231 58.200 -0.066 0.000 0.944 256 S CB 1.856 65.001 63.200 -0.092 0.000 1.127 256 S HN 0.999 nan 8.310 nan 0.000 0.511 257 D N -0.495 119.709 120.400 -0.327 0.000 2.271 257 D HA 0.114 4.753 4.640 -0.000 0.000 0.206 257 D C 0.493 176.697 176.300 -0.160 0.000 0.967 257 D CA 1.215 55.030 54.000 -0.308 0.000 0.867 257 D CB -0.549 39.998 40.800 -0.423 0.000 0.960 257 D HN 0.893 nan 8.370 nan 0.000 0.509 258 H N -3.923 115.097 119.070 -0.083 0.000 2.904 258 H HA 0.584 5.140 4.556 -0.000 0.000 0.290 258 H C 0.122 175.404 175.328 -0.077 0.000 1.437 258 H CA -0.887 55.111 56.048 -0.083 0.000 1.147 258 H CB 0.782 30.463 29.762 -0.135 0.000 1.824 258 H HN -0.002 nan 8.280 nan 0.000 0.505 259 G N -0.511 108.401 108.800 0.187 0.000 2.714 259 G HA2 0.532 4.491 3.960 -0.000 0.000 0.197 259 G HA3 0.532 4.491 3.960 -0.000 0.000 0.197 259 G C -0.826 174.202 174.900 0.212 0.000 1.449 259 G CA -0.390 44.801 45.100 0.152 0.000 1.065 259 G HN 0.780 nan 8.290 nan 0.000 0.575 260 M N -0.965 118.702 119.600 0.111 0.000 2.333 260 M HA 0.639 5.119 4.480 -0.000 0.000 0.286 260 M C -1.034 175.278 176.300 0.020 0.000 1.113 260 M CA -0.394 54.947 55.300 0.068 0.000 0.959 260 M CB 1.817 34.405 32.600 -0.021 0.000 1.776 260 M HN 0.934 nan 8.290 nan 0.000 0.492 261 A N 3.173 126.045 122.820 0.087 0.000 2.356 261 A HA 0.809 5.129 4.320 -0.000 0.000 0.323 261 A C -0.865 176.730 177.584 0.017 0.000 1.119 261 A CA -0.677 51.392 52.037 0.053 0.000 0.790 261 A CB 1.033 20.093 19.000 0.100 0.000 1.273 261 A HN 0.796 nan 8.150 nan 0.000 0.452 262 E N 0.201 120.378 120.200 -0.038 0.000 2.360 262 E HA 0.346 4.696 4.350 -0.000 0.000 0.269 262 E C -1.044 175.516 176.600 -0.067 0.000 1.022 262 E CA 0.019 56.381 56.400 -0.063 0.000 0.887 262 E CB 1.093 30.741 29.700 -0.087 0.000 0.990 262 E HN 0.301 nan 8.360 nan 0.000 0.426 263 V N 3.225 123.086 119.914 -0.088 0.000 2.326 263 V HA 0.298 4.418 4.120 -0.000 0.000 0.281 263 V C 0.282 176.203 176.094 -0.289 0.000 1.015 263 V CA -0.649 61.564 62.300 -0.145 0.000 0.823 263 V CB 1.054 32.847 31.823 -0.050 0.000 1.009 263 V HN 0.772 nan 8.190 nan 0.000 0.436 264 A N 7.511 129.991 122.820 -0.566 0.000 2.386 264 A HA 0.641 4.961 4.320 -0.000 0.000 0.246 264 A C -2.335 174.889 177.584 -0.601 0.000 1.089 264 A CA -1.101 50.536 52.037 -0.666 0.000 0.790 264 A CB -0.202 18.214 19.000 -0.973 0.000 1.042 264 A HN 0.628 nan 8.150 nan 0.000 0.497 265 P HA 0.241 nan 4.420 nan 0.000 0.265 265 P C 0.892 178.058 177.300 -0.223 0.000 1.187 265 P CA 1.893 64.852 63.100 -0.235 0.000 0.766 265 P CB 0.476 32.089 31.700 -0.145 0.000 0.820 266 G N 1.940 110.664 108.800 -0.126 0.000 2.159 266 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.256 266 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.256 266 G C 0.433 175.271 174.900 -0.103 0.000 0.977 266 G CA -0.061 45.012 45.100 -0.045 0.000 0.652 266 G HN 0.611 nan 8.290 nan 0.000 0.531 267 H N 0.407 119.126 119.070 -0.585 0.000 2.605 267 H HA 0.655 5.211 4.556 -0.000 0.000 0.308 267 H C 0.998 176.036 175.328 -0.483 0.000 1.080 267 H CA 0.264 55.578 56.048 -1.224 0.000 1.119 267 H CB 0.171 29.089 29.762 -1.407 0.000 1.479 267 H HN 0.758 nan 8.280 nan 0.000 0.537 268 A N 1.119 123.914 122.820 -0.042 0.000 2.330 268 A HA 0.624 4.944 4.320 -0.000 0.000 0.313 268 A C 0.135 177.812 177.584 0.155 0.000 1.124 268 A CA -0.765 51.322 52.037 0.083 0.000 0.774 268 A CB 0.726 19.738 19.000 0.019 0.000 1.198 268 A HN 0.401 nan 8.150 nan 0.000 0.465 269 I N -0.393 120.284 120.570 0.180 0.000 3.217 269 I HA 0.801 4.971 4.170 -0.000 0.000 0.308 269 I C 0.148 176.293 176.117 0.047 0.000 1.091 269 I CA -0.821 60.556 61.300 0.130 0.000 1.013 269 I CB 1.937 40.026 38.000 0.149 0.000 1.250 269 I HN 0.453 nan 8.210 nan 0.000 0.496 270 S N 0.802 116.520 115.700 0.030 0.000 2.554 270 S HA 0.289 4.759 4.470 -0.000 0.000 0.278 270 S C 1.078 175.668 174.600 -0.017 0.000 1.242 270 S CA -0.408 57.796 58.200 0.007 0.000 1.051 270 S CB 1.454 64.671 63.200 0.028 0.000 0.986 270 S HN 0.738 nan 8.310 nan 0.000 0.502 271 V N 2.945 122.834 119.914 -0.041 0.000 2.546 271 V HA -0.125 3.995 4.120 -0.000 0.000 0.254 271 V C 1.666 177.840 176.094 0.132 0.000 1.076 271 V CA 2.046 64.349 62.300 0.005 0.000 1.087 271 V CB -1.086 30.672 31.823 -0.107 0.000 0.674 271 V HN 0.919 nan 8.190 nan 0.000 0.470 272 E N 0.163 120.417 120.200 0.090 0.000 2.427 272 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 272 E C 1.594 178.204 176.600 0.017 0.000 1.028 272 E CA 0.786 57.233 56.400 0.078 0.000 0.864 272 E CB -0.160 29.584 29.700 0.072 0.000 0.813 272 E HN 0.656 nan 8.360 nan 0.000 0.514 273 D N 0.646 121.048 120.400 0.003 0.000 2.264 273 D HA -0.084 4.556 4.640 -0.000 0.000 0.208 273 D C 1.792 178.054 176.300 -0.063 0.000 0.966 273 D CA 0.772 54.764 54.000 -0.014 0.000 0.864 273 D CB 0.122 40.928 40.800 0.011 0.000 0.933 273 D HN 0.272 nan 8.370 nan 0.000 0.499 274 I N 0.235 120.729 120.570 -0.128 0.000 2.339 274 I HA 0.010 4.180 4.170 -0.000 0.000 0.245 274 I C 0.919 176.824 176.117 -0.352 0.000 1.096 274 I CA 0.417 61.553 61.300 -0.272 0.000 1.408 274 I CB 0.129 37.914 38.000 -0.358 0.000 1.092 274 I HN -0.132 nan 8.210 nan 0.000 0.423 275 A N 1.088 123.686 122.820 -0.370 0.000 2.459 275 A HA 0.614 4.934 4.320 -0.000 0.000 0.296 275 A C -2.690 174.819 177.584 -0.126 0.000 1.039 275 A CA -1.251 50.577 52.037 -0.350 0.000 0.698 275 A CB 0.767 19.360 19.000 -0.679 0.000 1.261 275 A HN -0.158 nan 8.150 nan 0.000 0.405 276 P HA 0.206 nan 4.420 nan 0.000 0.272 276 P C -2.044 175.267 177.300 0.018 0.000 1.223 276 P CA -1.118 61.975 63.100 -0.012 0.000 0.784 276 P CB 0.410 32.100 31.700 -0.017 0.000 0.923 277 P HA -0.134 nan 4.420 nan 0.000 0.225 277 P C 1.106 178.431 177.300 0.041 0.000 1.148 277 P CA 1.431 64.567 63.100 0.061 0.000 0.779 277 P CB 0.110 31.841 31.700 0.052 0.000 0.780 278 Q N -0.102 119.712 119.800 0.023 0.000 2.224 278 Q HA -0.042 4.298 4.340 -0.000 0.000 0.203 278 Q C 2.213 178.222 176.000 0.015 0.000 0.970 278 Q CA 1.166 56.978 55.803 0.016 0.000 0.865 278 Q CB -0.656 28.087 28.738 0.008 0.000 0.922 278 Q HN 0.455 nan 8.270 nan 0.000 0.445 279 I N -5.192 115.383 120.570 0.009 0.000 3.939 279 I HA 0.511 4.680 4.170 -0.000 0.000 0.313 279 I C 0.452 176.581 176.117 0.020 0.000 1.274 279 I CA -0.270 61.032 61.300 0.003 0.000 1.301 279 I CB 0.625 38.611 38.000 -0.023 0.000 1.105 279 I HN -0.065 nan 8.210 nan 0.000 0.427 280 A N 0.631 123.479 122.820 0.047 0.000 2.589 280 A HA 0.682 5.001 4.320 -0.000 0.000 0.296 280 A C -0.639 177.072 177.584 0.212 0.000 1.062 280 A CA -0.385 51.725 52.037 0.121 0.000 0.686 280 A CB 1.101 20.162 19.000 0.102 0.000 1.282 280 A HN 0.095 nan 8.150 nan 0.000 0.404 281 T N 2.081 116.765 114.554 0.216 0.000 2.767 281 T HA 0.558 4.908 4.350 -0.000 0.000 0.288 281 T C 0.429 175.240 174.700 0.185 0.000 0.963 281 T CA 0.434 62.641 62.100 0.179 0.000 1.019 281 T CB 1.158 70.083 68.868 0.095 0.000 0.923 281 T HN 1.325 nan 8.240 nan 0.000 0.468 282 A N 4.420 127.311 122.820 0.118 0.000 2.395 282 A HA 0.331 4.651 4.320 -0.000 0.000 0.286 282 A C 1.304 178.870 177.584 -0.031 0.000 1.193 282 A CA -0.458 51.443 52.037 -0.226 0.000 0.852 282 A CB -0.348 18.536 19.000 -0.193 0.000 1.118 282 A HN 0.798 nan 8.150 nan 0.000 0.524 283 I N 1.953 122.441 120.570 -0.137 0.000 2.406 283 I HA -0.021 4.149 4.170 -0.000 0.000 0.249 283 I C 1.475 177.576 176.117 -0.027 0.000 1.122 283 I CA 1.758 63.028 61.300 -0.050 0.000 1.431 283 I CB -1.465 36.498 38.000 -0.061 0.000 1.087 283 I HN 0.712 nan 8.210 nan 0.000 0.424 284 T N -0.809 113.628 114.554 -0.194 0.000 2.896 284 T HA 0.574 4.924 4.350 -0.000 0.000 0.297 284 T C -0.664 173.707 174.700 -0.548 0.000 1.108 284 T CA -0.860 61.061 62.100 -0.298 0.000 1.004 284 T CB 3.131 71.579 68.868 -0.700 0.000 1.159 284 T HN 0.142 nan 8.240 nan 0.000 0.499 285 D N -0.916 119.067 120.400 -0.695 0.000 2.689 285 D HA 0.791 5.430 4.640 -0.000 0.000 0.255 285 D C 1.009 177.076 176.300 -0.388 0.000 1.113 285 D CA 0.128 53.650 54.000 -0.797 0.000 1.115 285 D CB 1.006 40.943 40.800 -1.439 0.000 1.334 285 D HN 1.275 nan 8.370 nan 0.000 0.621 286 G N 0.116 108.724 108.800 -0.321 0.000 3.185 286 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.242 286 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.242 286 G C 0.480 175.279 174.900 -0.167 0.000 1.754 286 G CA 0.707 45.676 45.100 -0.218 0.000 1.225 286 G HN 0.603 nan 8.290 nan 0.000 0.539 287 Q N -0.875 118.809 119.800 -0.193 0.000 2.313 287 Q HA 0.508 4.847 4.340 -0.000 0.000 0.263 287 Q C 0.484 176.437 176.000 -0.078 0.000 0.820 287 Q CA 0.743 56.451 55.803 -0.158 0.000 0.974 287 Q CB 1.680 30.132 28.738 -0.476 0.000 1.156 287 Q HN 0.636 nan 8.270 nan 0.000 0.517 288 V N 2.905 122.765 119.914 -0.089 0.000 2.294 288 V HA 0.333 4.452 4.120 -0.000 0.000 0.272 288 V C -0.898 175.230 176.094 0.056 0.000 1.027 288 V CA -0.522 61.791 62.300 0.022 0.000 0.823 288 V CB 1.030 32.813 31.823 -0.067 0.000 1.030 288 V HN 0.191 nan 8.190 nan 0.000 0.457 289 I N 4.475 125.048 120.570 0.005 0.000 2.328 289 I HA 0.482 4.652 4.170 -0.000 0.000 0.287 289 I C 0.862 176.879 176.117 -0.167 0.000 1.012 289 I CA -0.172 61.015 61.300 -0.188 0.000 1.195 289 I CB 1.134 39.007 38.000 -0.211 0.000 1.350 289 I HN 0.585 nan 8.210 nan 0.000 0.464 290 G N 6.091 114.728 108.800 -0.271 0.000 2.332 290 G HA2 0.609 4.569 3.960 -0.000 0.000 0.310 290 G HA3 0.609 4.569 3.960 -0.000 0.000 0.310 290 G C -1.210 173.500 174.900 -0.317 0.000 1.123 290 G CA -0.203 44.819 45.100 -0.130 0.000 0.873 290 G HN 0.300 nan 8.290 nan 0.000 0.460 291 F N 0.458 120.443 119.950 0.059 0.000 2.482 291 F HA 0.453 4.980 4.527 -0.000 0.000 0.331 291 F C 0.182 176.016 175.800 0.057 0.000 1.115 291 F CA -0.911 57.117 58.000 0.047 0.000 0.955 291 F CB 2.873 41.894 39.000 0.035 0.000 1.136 291 F HN 0.328 nan 8.300 nan 0.000 0.452 292 E N 5.066 125.403 120.200 0.227 0.000 2.102 292 E HA 0.415 4.765 4.350 -0.000 0.000 0.263 292 E C -2.692 173.995 176.600 0.145 0.000 0.894 292 E CA -2.939 53.554 56.400 0.155 0.000 0.746 292 E CB 1.083 30.846 29.700 0.105 0.000 1.129 292 E HN 0.085 nan 8.360 nan 0.000 0.416 293 P HA -0.061 nan 4.420 nan 0.000 0.264 293 P C -0.522 176.817 177.300 0.066 0.000 1.183 293 P CA -0.179 62.971 63.100 0.082 0.000 0.763 293 P CB 0.418 32.155 31.700 0.061 0.000 0.807 294 L N 6.701 127.957 121.223 0.055 0.000 2.482 294 L HA 0.142 4.482 4.340 -0.000 0.000 0.273 294 L C -1.780 175.111 176.870 0.034 0.000 1.228 294 L CA -0.894 53.972 54.840 0.043 0.000 0.827 294 L CB -1.045 41.035 42.059 0.035 0.000 1.099 294 L HN 0.347 nan 8.230 nan 0.000 0.494 295 P HA 0.107 nan 4.420 nan 0.000 0.261 295 P C 0.650 177.962 177.300 0.021 0.000 1.183 295 P CA 1.084 64.199 63.100 0.025 0.000 0.761 295 P CB 0.411 32.124 31.700 0.022 0.000 0.785 296 G N 2.834 111.646 108.800 0.020 0.000 2.184 296 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.264 296 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.264 296 G C 0.722 175.631 174.900 0.014 0.000 0.975 296 G CA -0.152 44.957 45.100 0.015 0.000 0.642 296 G HN 0.537 nan 8.290 nan 0.000 0.536 297 Q N -0.659 119.152 119.800 0.017 0.000 2.198 297 Q HA 0.235 4.575 4.340 -0.000 0.000 0.209 297 Q C 1.958 177.966 176.000 0.014 0.000 0.848 297 Q CA 0.680 56.491 55.803 0.013 0.000 0.974 297 Q CB 0.682 29.428 28.738 0.014 0.000 1.115 297 Q HN 0.640 nan 8.270 nan 0.000 0.494 298 Q N 1.543 121.355 119.800 0.021 0.000 2.061 298 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 298 Q C 1.865 177.874 176.000 0.016 0.000 0.984 298 Q CA 2.138 57.956 55.803 0.025 0.000 0.846 298 Q CB -0.172 28.584 28.738 0.030 0.000 0.902 298 Q HN 0.370 nan 8.270 nan 0.000 0.421 299 A N 0.239 123.066 122.820 0.012 0.000 1.877 299 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 299 A C 2.310 179.893 177.584 -0.001 0.000 1.186 299 A CA 1.993 54.034 52.037 0.006 0.000 0.620 299 A CB -1.313 17.690 19.000 0.005 0.000 0.822 299 A HN 0.540 nan 8.150 nan 0.000 0.443 300 A N -0.157 122.660 122.820 -0.004 0.000 1.877 300 A HA 0.126 4.446 4.320 -0.000 0.000 0.216 300 A C 2.532 180.100 177.584 -0.026 0.000 1.186 300 A CA 2.310 54.339 52.037 -0.013 0.000 0.620 300 A CB -1.100 17.893 19.000 -0.012 0.000 0.822 300 A HN 1.088 nan 8.150 nan 0.000 0.443 301 A N -0.289 122.515 122.820 -0.027 0.000 1.877 301 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 301 A C 1.954 179.510 177.584 -0.046 0.000 1.186 301 A CA 1.730 53.735 52.037 -0.054 0.000 0.620 301 A CB -0.611 18.370 19.000 -0.032 0.000 0.822 301 A HN 0.636 nan 8.150 nan 0.000 0.443 302 E N -0.361 119.832 120.200 -0.012 0.000 2.051 302 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 302 E C 2.352 178.950 176.600 -0.004 0.000 0.991 302 E CA 0.972 57.374 56.400 0.003 0.000 0.799 302 E CB -0.329 29.381 29.700 0.018 0.000 0.748 302 E HN 0.603 nan 8.360 nan 0.000 0.449 303 A N 0.702 123.517 122.820 -0.009 0.000 1.948 303 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 303 A C 2.265 179.845 177.584 -0.007 0.000 1.177 303 A CA 1.950 53.981 52.037 -0.010 0.000 0.636 303 A CB -0.488 18.505 19.000 -0.012 0.000 0.815 303 A HN 0.188 nan 8.150 nan 0.000 0.449 304 S N -1.781 113.908 115.700 -0.019 0.000 2.425 304 S HA 0.037 4.507 4.470 -0.000 0.000 0.225 304 S C 1.632 176.233 174.600 0.001 0.000 1.024 304 S CA 1.236 59.423 58.200 -0.021 0.000 0.951 304 S CB -0.041 63.119 63.200 -0.067 0.000 0.796 304 S HN 0.270 nan 8.310 nan 0.000 0.498 305 V N 1.248 121.149 119.914 -0.022 0.000 3.048 305 V HA 0.346 4.466 4.120 -0.000 0.000 0.241 305 V C 0.705 176.893 176.094 0.156 0.000 1.129 305 V CA 0.133 62.416 62.300 -0.029 0.000 1.128 305 V CB -0.184 31.533 31.823 -0.177 0.000 0.849 305 V HN 0.307 nan 8.190 nan 0.000 0.475 306 L N 1.160 122.427 121.223 0.073 0.000 2.490 306 L HA 0.467 4.807 4.340 -0.000 0.000 0.274 306 L C 0.971 177.810 176.870 -0.051 0.000 1.201 306 L CA 1.421 56.271 54.840 0.017 0.000 0.869 306 L CB -0.289 41.767 42.059 -0.004 0.000 1.123 306 L HN 0.471 nan 8.230 nan 0.000 0.484 307 G N 2.063 110.735 108.800 -0.214 0.000 2.428 307 G HA2 0.047 4.007 3.960 -0.000 0.000 0.202 307 G HA3 0.047 4.007 3.960 -0.000 0.000 0.202 307 G C -0.842 173.769 174.900 -0.481 0.000 1.247 307 G CA -0.350 44.536 45.100 -0.357 0.000 1.020 307 G HN 0.951 nan 8.290 nan 0.000 0.529 308 A N 0.285 122.777 122.820 -0.547 0.000 2.309 308 A HA 0.802 5.121 4.320 -0.000 0.000 0.298 308 A C 0.151 177.194 177.584 -0.903 0.000 1.165 308 A CA -0.025 51.691 52.037 -0.534 0.000 0.821 308 A CB 0.356 19.155 19.000 -0.335 0.000 1.102 308 A HN 0.924 nan 8.150 nan 0.000 0.500 309 H N 0.609 119.315 119.070 -0.605 0.000 2.949 309 H HA 0.228 4.783 4.556 -0.000 0.000 0.310 309 H C -0.120 174.755 175.328 -0.755 0.000 1.405 309 H CA -0.665 54.915 56.048 -0.781 0.000 1.253 309 H CB 1.046 29.975 29.762 -1.389 0.000 1.932 309 H HN 0.655 nan 8.280 nan 0.000 0.602 310 D N -0.010 120.030 120.400 -0.599 0.000 2.104 310 D HA -0.116 4.523 4.640 -0.000 0.000 0.194 310 D C 0.738 176.370 176.300 -1.114 0.000 0.994 310 D CA 1.678 55.223 54.000 -0.757 0.000 0.830 310 D CB 0.169 40.542 40.800 -0.712 0.000 0.959 310 D HN 0.447 nan 8.370 nan 0.000 0.452 311 H N -1.771 116.868 119.070 -0.718 0.000 2.665 311 H HA 0.201 4.757 4.556 -0.000 0.000 0.248 311 H C -0.669 174.101 175.328 -0.928 0.000 1.175 311 H CA -0.283 55.174 56.048 -0.986 0.000 0.952 311 H CB 0.060 28.927 29.762 -1.491 0.000 1.883 311 H HN 0.215 nan 8.280 nan 0.000 0.623 312 Y N -1.978 117.760 120.300 -0.937 0.000 2.741 312 Y HA 0.539 5.089 4.550 -0.000 0.000 0.339 312 Y C -1.801 173.999 175.900 -0.166 0.000 1.226 312 Y CA -1.327 56.494 58.100 -0.464 0.000 1.072 312 Y CB 1.087 39.466 38.460 -0.136 0.000 1.331 312 Y HN -0.224 nan 8.280 nan 0.000 0.453 313 D N 0.657 121.156 120.400 0.164 0.000 2.601 313 D HA 0.638 5.278 4.640 -0.000 0.000 0.230 313 D C -1.377 174.836 176.300 -0.145 0.000 1.106 313 D CA -0.159 53.763 54.000 -0.130 0.000 0.873 313 D CB 2.653 43.245 40.800 -0.348 0.000 1.515 313 D HN 0.756 nan 8.370 nan 0.000 0.468 314 c N 1.064 119.441 118.600 -0.371 0.000 2.712 314 c HA 0.640 5.209 4.570 -0.000 0.000 0.308 314 c C -0.698 173.201 174.090 -0.318 0.000 1.201 314 c CA -0.863 55.405 56.329 -0.102 0.000 1.554 314 c CB 1.835 44.434 42.510 0.148 0.000 2.117 314 c HN 0.549 nan 8.230 nan 0.000 0.480 315 W N 0.488 121.913 121.300 0.208 0.000 3.107 315 W HA 0.475 5.135 4.660 -0.001 0.000 0.331 315 W C -0.366 176.240 176.519 0.146 0.000 1.204 315 W CA -0.771 56.665 57.345 0.151 0.000 1.184 315 W CB 1.165 30.712 29.460 0.144 0.000 1.421 315 W HN 0.554 nan 8.180 nan 0.000 0.544 316 R N 1.629 122.331 120.500 0.337 0.000 2.570 316 R HA -0.029 4.310 4.340 -0.000 0.000 0.277 316 R C 1.603 178.045 176.300 0.236 0.000 1.039 316 R CA 0.216 56.456 56.100 0.234 0.000 1.065 316 R CB 0.882 31.278 30.300 0.160 0.000 0.964 316 R HN 0.503 nan 8.270 nan 0.000 0.428 317 K N 1.814 122.326 120.400 0.187 0.000 2.152 317 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 317 K C 1.568 178.217 176.600 0.081 0.000 1.048 317 K CA 1.786 58.161 56.287 0.146 0.000 0.933 317 K CB -0.080 32.479 32.500 0.099 0.000 0.721 317 K HN 0.558 nan 8.250 nan 0.000 0.447 318 A N 1.397 124.259 122.820 0.071 0.000 2.119 318 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 318 A C 1.188 178.794 177.584 0.036 0.000 1.153 318 A CA 1.014 53.075 52.037 0.040 0.000 0.692 318 A CB -0.180 18.843 19.000 0.038 0.000 0.799 318 A HN 0.511 nan 8.150 nan 0.000 0.458 319 E N -0.629 119.613 120.200 0.070 0.000 2.548 319 E HA 0.271 4.621 4.350 -0.000 0.000 0.206 319 E C -0.535 176.050 176.600 -0.024 0.000 1.005 319 E CA -0.460 55.980 56.400 0.067 0.000 0.951 319 E CB 0.252 30.041 29.700 0.148 0.000 1.035 319 E HN 0.503 nan 8.360 nan 0.000 0.470 320 L N 2.402 123.556 121.223 -0.115 0.000 2.499 320 L HA 0.072 4.412 4.340 -0.000 0.000 0.281 320 L C -1.968 174.563 176.870 -0.565 0.000 1.234 320 L CA -1.607 52.955 54.840 -0.462 0.000 0.839 320 L CB -0.221 41.726 42.059 -0.186 0.000 1.104 320 L HN -0.184 nan 8.230 nan 0.000 0.500 321 P HA -0.112 nan 4.420 nan 0.000 0.257 321 P C 0.085 177.071 177.300 -0.524 0.000 1.162 321 P CA 0.339 62.938 63.100 -0.834 0.000 0.762 321 P CB 0.705 31.527 31.700 -1.464 0.000 0.753 322 A N 5.922 128.551 122.820 -0.318 0.000 1.948 322 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 322 A C 2.049 179.548 177.584 -0.141 0.000 1.177 322 A CA 1.765 53.697 52.037 -0.174 0.000 0.636 322 A CB -0.804 18.127 19.000 -0.115 0.000 0.815 322 A HN 0.671 nan 8.150 nan 0.000 0.449 323 R N -1.922 118.454 120.500 -0.208 0.000 2.200 323 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 323 R C 1.399 177.727 176.300 0.047 0.000 1.127 323 R CA 1.478 57.516 56.100 -0.104 0.000 0.989 323 R CB -0.456 29.758 30.300 -0.143 0.000 0.869 323 R HN 0.623 nan 8.270 nan 0.000 0.459 324 W N 1.396 122.600 121.300 -0.161 0.000 2.905 324 W HA 0.138 4.798 4.660 -0.000 0.000 0.251 324 W C 0.260 176.725 176.519 -0.090 0.000 1.305 324 W CA -0.069 57.159 57.345 -0.195 0.000 1.465 324 W CB -0.466 28.631 29.460 -0.605 0.000 1.122 324 W HN 0.245 nan 8.180 nan 0.000 0.659 325 Q N -0.762 119.111 119.800 0.123 0.000 2.443 325 Q HA -0.274 4.066 4.340 -0.000 0.000 0.337 325 Q C -0.985 175.092 176.000 0.128 0.000 1.401 325 Q CA 0.816 56.666 55.803 0.078 0.000 0.943 325 Q CB -2.246 26.525 28.738 0.055 0.000 1.177 325 Q HN 0.399 nan 8.270 nan 0.000 0.394 326 Y N -1.854 118.423 120.300 -0.037 0.000 2.521 326 Y HA 0.524 5.074 4.550 -0.000 0.000 0.332 326 Y C 0.730 176.627 175.900 -0.005 0.000 1.121 326 Y CA 0.389 58.480 58.100 -0.015 0.000 1.037 326 Y CB 1.817 40.285 38.460 0.013 0.000 1.330 326 Y HN 0.140 nan 8.280 nan 0.000 0.452 327 G N 1.410 109.988 108.800 -0.370 0.000 2.227 327 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.168 327 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.168 327 G C 0.781 175.606 174.900 -0.125 0.000 1.006 327 G CA 0.463 45.425 45.100 -0.230 0.000 0.684 327 G HN 1.272 nan 8.290 nan 0.000 0.489 328 S N -0.622 115.018 115.700 -0.100 0.000 2.478 328 S HA 0.221 4.691 4.470 -0.000 0.000 0.222 328 S C 0.810 175.386 174.600 -0.039 0.000 1.008 328 S CA 0.748 58.925 58.200 -0.040 0.000 0.928 328 S CB -0.053 63.148 63.200 0.002 0.000 0.781 328 S HN 0.709 nan 8.310 nan 0.000 0.518 329 H N 4.083 123.079 119.070 -0.123 0.000 2.886 329 H HA 0.218 4.774 4.556 -0.000 0.000 0.329 329 H C -1.448 173.842 175.328 -0.064 0.000 1.044 329 H CA -1.105 54.895 56.048 -0.080 0.000 1.456 329 H CB 1.052 30.757 29.762 -0.096 0.000 1.464 329 H HN 0.069 nan 8.280 nan 0.000 0.573 330 P HA -0.169 nan 4.420 nan 0.000 0.219 330 P C 0.878 178.263 177.300 0.142 0.000 1.146 330 P CA 1.297 64.408 63.100 0.019 0.000 0.808 330 P CB 0.258 31.921 31.700 -0.061 0.000 0.779 331 R N -0.647 120.058 120.500 0.341 0.000 2.235 331 R HA 0.084 4.423 4.340 -0.000 0.000 0.213 331 R C 1.123 177.500 176.300 0.129 0.000 1.059 331 R CA 0.182 56.413 56.100 0.218 0.000 0.997 331 R CB -0.546 29.872 30.300 0.196 0.000 0.884 331 R HN 0.262 nan 8.270 nan 0.000 0.462 332 I N 2.883 123.509 120.570 0.093 0.000 2.533 332 I HA 0.053 4.223 4.170 -0.000 0.000 0.284 332 I C -2.036 174.128 176.117 0.079 0.000 1.109 332 I CA -2.110 59.220 61.300 0.050 0.000 1.412 332 I CB 0.576 38.515 38.000 -0.101 0.000 1.396 332 I HN -0.226 nan 8.210 nan 0.000 0.543 333 P HA 0.044 nan 4.420 nan 0.000 0.269 333 P C 0.422 177.798 177.300 0.127 0.000 1.217 333 P CA 0.022 63.184 63.100 0.104 0.000 0.783 333 P CB 0.573 32.327 31.700 0.091 0.000 0.898 334 S N 0.191 115.967 115.700 0.126 0.000 2.383 334 S HA -0.087 4.383 4.470 -0.000 0.000 0.229 334 S C 0.785 175.484 174.600 0.166 0.000 1.030 334 S CA 1.216 59.492 58.200 0.126 0.000 1.002 334 S CB -0.513 62.753 63.200 0.110 0.000 0.829 334 S HN 0.328 nan 8.310 nan 0.000 0.467 335 L N 1.321 122.673 121.223 0.214 0.000 2.362 335 L HA 0.589 4.928 4.340 -0.000 0.000 0.275 335 L C -1.136 175.936 176.870 0.336 0.000 0.998 335 L CA -0.644 54.357 54.840 0.268 0.000 0.820 335 L CB 2.052 44.264 42.059 0.253 0.000 1.270 335 L HN -0.130 nan 8.230 nan 0.000 0.415 336 V N 1.624 121.773 119.914 0.391 0.000 2.531 336 V HA 0.396 4.516 4.120 -0.000 0.000 0.301 336 V C -0.503 175.916 176.094 0.542 0.000 1.034 336 V CA -0.535 62.027 62.300 0.438 0.000 0.865 336 V CB 1.935 34.039 31.823 0.470 0.000 0.995 336 V HN 0.845 nan 8.190 nan 0.000 0.424 337 c N 3.909 122.783 118.600 0.458 0.000 2.382 337 c HA 0.687 5.257 4.570 -0.000 0.000 0.327 337 c C 0.043 174.405 174.090 0.454 0.000 1.250 337 c CA -0.639 55.965 56.329 0.458 0.000 1.707 337 c CB 1.184 43.889 42.510 0.325 0.000 2.272 337 c HN 0.868 nan 8.230 nan 0.000 0.506 338 Q N 3.176 123.339 119.800 0.605 0.000 2.348 338 Q HA 0.495 4.835 4.340 -0.000 0.000 0.265 338 Q C -0.481 175.817 176.000 0.498 0.000 0.998 338 Q CA -0.204 55.926 55.803 0.544 0.000 0.831 338 Q CB 0.641 29.835 28.738 0.760 0.000 1.251 338 Q HN 0.628 nan 8.270 nan 0.000 0.456 339 M N 3.072 122.903 119.600 0.385 0.000 2.245 339 M HA 0.128 4.608 4.480 -0.000 0.000 0.344 339 M C 0.073 176.706 176.300 0.554 0.000 1.170 339 M CA 0.385 55.931 55.300 0.410 0.000 1.135 339 M CB -0.088 32.750 32.600 0.396 0.000 1.574 339 M HN 0.690 nan 8.290 nan 0.000 0.452 340 H N 0.327 119.595 119.070 0.331 0.000 2.771 340 H HA 0.038 4.594 4.556 -0.000 0.000 0.364 340 H C 0.138 175.478 175.328 0.020 0.000 1.133 340 H CA -0.547 55.624 56.048 0.206 0.000 1.423 340 H CB 0.611 30.448 29.762 0.125 0.000 1.425 340 H HN 0.544 nan 8.280 nan 0.000 0.606 341 E N 0.957 121.083 120.200 -0.124 0.000 2.652 341 E HA -0.105 4.244 4.350 -0.000 0.000 0.255 341 E C 0.764 177.155 176.600 -0.348 0.000 0.952 341 E CA 0.845 56.813 56.400 -0.720 0.000 0.947 341 E CB 0.009 29.517 29.700 -0.320 0.000 0.912 341 E HN 0.930 nan 8.360 nan 0.000 0.489 342 G N 3.426 111.875 108.800 -0.584 0.000 2.159 342 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.256 342 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.256 342 G C -0.663 174.245 174.900 0.014 0.000 0.977 342 G CA 0.194 45.242 45.100 -0.085 0.000 0.652 342 G HN 0.511 nan 8.290 nan 0.000 0.531 343 W N 0.512 121.871 121.300 0.098 0.000 2.761 343 W HA 0.688 5.348 4.660 -0.000 0.000 0.340 343 W C -0.484 176.169 176.519 0.223 0.000 1.072 343 W CA -0.633 56.791 57.345 0.133 0.000 1.215 343 W CB 1.545 31.024 29.460 0.032 0.000 1.420 343 W HN -0.036 nan 8.180 nan 0.000 0.519 344 D N 1.124 121.715 120.400 0.318 0.000 2.457 344 D HA 0.655 5.295 4.640 -0.000 0.000 0.240 344 D C -1.072 175.304 176.300 0.128 0.000 1.041 344 D CA -0.612 53.489 54.000 0.168 0.000 0.861 344 D CB 2.054 42.890 40.800 0.061 0.000 1.394 344 D HN 0.334 nan 8.370 nan 0.000 0.473 345 A N 2.119 124.944 122.820 0.009 0.000 2.332 345 A HA 0.648 4.968 4.320 -0.000 0.000 0.300 345 A C -0.782 176.698 177.584 -0.173 0.000 1.153 345 A CA -0.590 51.408 52.037 -0.065 0.000 0.764 345 A CB 0.439 19.363 19.000 -0.127 0.000 1.174 345 A HN 0.473 nan 8.150 nan 0.000 0.467 346 L N 1.625 122.760 121.223 -0.148 0.000 2.322 346 L HA 0.570 4.910 4.340 -0.000 0.000 0.269 346 L C -0.313 176.439 176.870 -0.198 0.000 1.012 346 L CA -0.829 53.886 54.840 -0.208 0.000 0.815 346 L CB 1.367 43.373 42.059 -0.088 0.000 1.295 346 L HN 0.694 nan 8.230 nan 0.000 0.438 347 F N 1.314 121.216 119.950 -0.080 0.000 2.595 347 F HA 0.020 4.546 4.527 -0.000 0.000 0.359 347 F C -1.154 174.614 175.800 -0.054 0.000 1.147 347 F CA -0.888 57.065 58.000 -0.078 0.000 1.341 347 F CB 0.086 39.022 39.000 -0.107 0.000 1.104 347 F HN 0.389 nan 8.300 nan 0.000 0.603 348 P HA -0.210 nan 4.420 nan 0.000 0.216 348 P C 1.026 178.358 177.300 0.053 0.000 1.150 348 P CA 1.682 64.828 63.100 0.077 0.000 0.837 348 P CB -0.042 31.696 31.700 0.063 0.000 0.786 349 D N -0.042 120.388 120.400 0.050 0.000 2.144 349 D HA -0.180 4.460 4.640 -0.000 0.000 0.200 349 D C 1.822 178.132 176.300 0.017 0.000 0.978 349 D CA 1.318 55.327 54.000 0.014 0.000 0.833 349 D CB -0.883 39.904 40.800 -0.022 0.000 0.961 349 D HN 0.160 nan 8.370 nan 0.000 0.470 350 K N -0.288 120.138 120.400 0.044 0.000 2.025 350 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 350 K C 2.233 178.839 176.600 0.011 0.000 1.049 350 K CA 0.545 56.848 56.287 0.026 0.000 0.933 350 K CB -0.212 32.318 32.500 0.050 0.000 0.714 350 K HN 0.087 nan 8.250 nan 0.000 0.438 351 L N 1.168 122.402 121.223 0.018 0.000 2.042 351 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 351 L C 2.173 179.048 176.870 0.009 0.000 1.076 351 L CA 2.137 56.983 54.840 0.010 0.000 0.749 351 L CB -0.670 41.399 42.059 0.017 0.000 0.893 351 L HN 0.224 nan 8.230 nan 0.000 0.432 352 A N -0.084 122.743 122.820 0.012 0.000 1.930 352 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 352 A C 2.275 179.860 177.584 0.002 0.000 1.175 352 A CA 1.940 53.981 52.037 0.008 0.000 0.627 352 A CB -0.547 18.458 19.000 0.007 0.000 0.815 352 A HN 0.671 nan 8.150 nan 0.000 0.443 353 K N -1.100 119.299 120.400 -0.002 0.000 2.323 353 K HA 0.122 4.442 4.320 -0.000 0.000 0.197 353 K C 0.966 177.560 176.600 -0.009 0.000 1.043 353 K CA -0.155 56.128 56.287 -0.007 0.000 0.997 353 K CB -0.020 32.474 32.500 -0.010 0.000 0.807 353 K HN 0.172 nan 8.250 nan 0.000 0.497 354 R N 2.116 122.610 120.500 -0.011 0.000 2.402 354 R HA 0.153 4.493 4.340 -0.000 0.000 0.331 354 R C -0.750 175.541 176.300 -0.014 0.000 1.040 354 R CA 0.011 56.101 56.100 -0.016 0.000 0.980 354 R CB 0.331 30.618 30.300 -0.022 0.000 0.967 354 R HN 0.354 nan 8.270 nan 0.000 0.440 355 A N 4.632 127.444 122.820 -0.014 0.000 2.488 355 A HA 0.102 4.422 4.320 -0.000 0.000 0.249 355 A C -0.261 177.314 177.584 -0.015 0.000 1.083 355 A CA -0.073 51.958 52.037 -0.010 0.000 0.768 355 A CB 0.367 19.363 19.000 -0.006 0.000 1.017 355 A HN 0.783 nan 8.150 nan 0.000 0.496 356 Q N 0.683 120.474 119.800 -0.014 0.000 2.222 356 Q HA 0.628 4.968 4.340 -0.000 0.000 0.252 356 Q C 0.538 176.528 176.000 -0.017 0.000 0.926 356 Q CA -0.491 55.300 55.803 -0.020 0.000 0.899 356 Q CB 1.966 30.692 28.738 -0.020 0.000 1.250 356 Q HN 0.887 nan 8.270 nan 0.000 0.441 357 R N 0.327 120.813 120.500 -0.023 0.000 5.238 357 R HA 0.181 4.521 4.340 -0.000 0.000 0.061 357 R C 0.020 176.303 176.300 -0.028 0.000 0.721 357 R CA 0.702 56.792 56.100 -0.017 0.000 1.410 357 R CB -0.062 30.237 30.300 -0.001 0.000 1.353 357 R HN 0.693 nan 8.270 nan 0.000 0.401 358 G N 0.144 108.930 108.800 -0.024 0.000 3.008 358 G HA2 0.394 4.353 3.960 -0.000 0.000 0.181 358 G HA3 0.394 4.353 3.960 -0.000 0.000 0.181 358 G C -0.982 173.883 174.900 -0.057 0.000 1.309 358 G CA -0.271 44.811 45.100 -0.031 0.000 1.009 358 G HN 0.166 nan 8.290 nan 0.000 0.584 359 T N 0.901 115.427 114.554 -0.047 0.000 2.869 359 T HA 0.510 4.860 4.350 -0.000 0.000 0.295 359 T C 0.299 174.975 174.700 -0.040 0.000 0.987 359 T CA 0.137 62.194 62.100 -0.072 0.000 1.109 359 T CB 1.107 69.936 68.868 -0.065 0.000 0.932 359 T HN 0.347 nan 8.240 nan 0.000 0.518 360 R N 0.429 120.893 120.500 -0.059 0.000 3.006 360 R HA 0.782 5.122 4.340 -0.000 0.000 0.235 360 R C 0.117 176.407 176.300 -0.016 0.000 1.362 360 R CA -1.053 55.029 56.100 -0.029 0.000 1.067 360 R CB 1.395 31.678 30.300 -0.028 0.000 1.396 360 R HN 0.737 nan 8.270 nan 0.000 0.504 361 G N -0.380 108.429 108.800 0.016 0.000 2.519 361 G HA2 0.576 4.536 3.960 -0.000 0.000 0.307 361 G HA3 0.576 4.536 3.960 -0.000 0.000 0.307 361 G C -1.213 173.716 174.900 0.049 0.000 1.266 361 G CA -0.284 44.819 45.100 0.003 0.000 0.970 361 G HN 0.350 nan 8.290 nan 0.000 0.481 362 S N -1.084 114.661 115.700 0.075 0.000 2.579 362 S HA 0.697 5.166 4.470 -0.000 0.000 0.272 362 S C -0.667 173.946 174.600 0.022 0.000 1.141 362 S CA -0.734 57.485 58.200 0.031 0.000 0.843 362 S CB 1.773 65.006 63.200 0.054 0.000 1.122 362 S HN 1.019 nan 8.310 nan 0.000 0.468 363 H N -1.603 117.306 119.070 -0.269 0.000 3.605 363 H HA 0.843 5.399 4.556 -0.000 0.000 0.307 363 H C 0.945 175.837 175.328 -0.727 0.000 1.692 363 H CA -0.419 55.391 56.048 -0.396 0.000 1.453 363 H CB -0.155 29.325 29.762 -0.470 0.000 1.511 363 H HN 1.016 nan 8.280 nan 0.000 0.809 364 G N -1.540 106.923 108.800 -0.563 0.000 2.143 364 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.249 364 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.249 364 G C -0.751 173.767 174.900 -0.636 0.000 0.981 364 G CA 0.480 45.188 45.100 -0.655 0.000 0.665 364 G HN 0.506 nan 8.290 nan 0.000 0.528 365 Y N 0.179 120.383 120.300 -0.160 0.000 2.408 365 Y HA 0.546 5.096 4.550 -0.000 0.000 0.324 365 Y C 0.892 176.720 175.900 -0.120 0.000 1.302 365 Y CA -1.341 56.712 58.100 -0.079 0.000 1.384 365 Y CB 0.267 38.742 38.460 0.024 0.000 1.367 365 Y HN 0.085 nan 8.280 nan 0.000 0.525 366 D N 2.078 122.599 120.400 0.201 0.000 2.662 366 D HA -0.073 4.567 4.640 -0.000 0.000 0.237 366 D C -1.888 174.493 176.300 0.135 0.000 1.154 366 D CA -0.705 53.418 54.000 0.205 0.000 0.861 366 D CB 0.752 41.802 40.800 0.416 0.000 1.146 366 D HN 0.207 nan 8.370 nan 0.000 0.518 367 P HA -0.049 nan 4.420 nan 0.000 0.228 367 P C 0.670 178.012 177.300 0.069 0.000 1.151 367 P CA 0.942 64.074 63.100 0.053 0.000 0.770 367 P CB 0.165 31.896 31.700 0.052 0.000 0.786 368 A N -1.083 121.815 122.820 0.129 0.000 2.167 368 A HA 0.027 4.346 4.320 -0.000 0.000 0.214 368 A C 0.986 178.553 177.584 -0.028 0.000 1.151 368 A CA 0.193 52.261 52.037 0.053 0.000 0.735 368 A CB -0.990 18.077 19.000 0.111 0.000 0.802 368 A HN 0.140 nan 8.150 nan 0.000 0.467 369 L N 0.125 121.355 121.223 0.012 0.000 2.410 369 L HA 0.131 4.471 4.340 -0.000 0.000 0.273 369 L C -1.412 175.397 176.870 -0.102 0.000 1.152 369 L CA -1.560 53.268 54.840 -0.020 0.000 0.855 369 L CB 0.757 42.839 42.059 0.039 0.000 1.129 369 L HN 0.069 nan 8.230 nan 0.000 0.463 370 P HA -0.206 nan 4.420 nan 0.000 0.217 370 P C 1.552 178.782 177.300 -0.116 0.000 1.148 370 P CA 1.397 64.375 63.100 -0.202 0.000 0.828 370 P CB 0.146 31.752 31.700 -0.157 0.000 0.783 371 S N -1.877 113.793 115.700 -0.050 0.000 2.419 371 S HA -0.111 4.359 4.470 -0.000 0.000 0.233 371 S C 1.724 176.342 174.600 0.030 0.000 1.016 371 S CA 1.123 59.319 58.200 -0.007 0.000 0.974 371 S CB -1.023 62.186 63.200 0.014 0.000 0.786 371 S HN -0.026 nan 8.310 nan 0.000 0.492 372 M N 1.024 120.642 119.600 0.031 0.000 2.556 372 M HA 0.274 4.753 4.480 -0.000 0.000 0.245 372 M C 0.565 176.886 176.300 0.035 0.000 1.128 372 M CA 0.262 55.599 55.300 0.062 0.000 1.069 372 M CB -0.907 31.731 32.600 0.062 0.000 1.469 372 M HN 0.280 nan 8.290 nan 0.000 0.494 373 R N 0.580 121.066 120.500 -0.023 0.000 2.537 373 R HA 0.404 4.743 4.340 -0.000 0.000 0.280 373 R C 0.191 176.527 176.300 0.061 0.000 1.058 373 R CA -0.070 56.022 56.100 -0.014 0.000 1.057 373 R CB 0.532 30.764 30.300 -0.114 0.000 0.973 373 R HN 0.167 nan 8.270 nan 0.000 0.438 374 A N 2.611 125.484 122.820 0.088 0.000 2.261 374 A HA 0.563 4.883 4.320 -0.000 0.000 0.323 374 A C -0.489 177.175 177.584 0.133 0.000 1.107 374 A CA -0.697 51.385 52.037 0.075 0.000 0.883 374 A CB 1.129 20.150 19.000 0.035 0.000 1.251 374 A HN 0.437 nan 8.150 nan 0.000 0.502 375 V N 0.017 120.003 119.914 0.120 0.000 2.617 375 V HA 0.542 4.662 4.120 -0.000 0.000 0.298 375 V C -0.859 175.383 176.094 0.247 0.000 1.048 375 V CA -0.021 62.376 62.300 0.161 0.000 0.964 375 V CB 1.139 33.022 31.823 0.098 0.000 1.004 375 V HN 0.710 nan 8.190 nan 0.000 0.466 376 F N 6.863 126.892 119.950 0.133 0.000 2.585 376 F HA 0.787 5.314 4.527 -0.000 0.000 0.319 376 F C -1.114 174.779 175.800 0.155 0.000 1.165 376 F CA -0.769 57.343 58.000 0.187 0.000 0.949 376 F CB 1.449 40.662 39.000 0.355 0.000 1.218 376 F HN 0.413 nan 8.300 nan 0.000 0.453 377 L N 3.739 124.586 121.223 -0.626 0.000 2.469 377 L HA 1.088 5.428 4.340 -0.000 0.000 0.256 377 L C -1.617 174.865 176.870 -0.646 0.000 1.006 377 L CA -0.902 53.628 54.840 -0.516 0.000 0.832 377 L CB 1.654 43.612 42.059 -0.169 0.000 1.421 377 L HN 0.784 nan 8.230 nan 0.000 0.410 378 A N 1.272 123.852 122.820 -0.399 0.000 2.572 378 A HA 0.893 5.213 4.320 -0.000 0.000 0.295 378 A C -1.645 175.868 177.584 -0.118 0.000 1.072 378 A CA -0.380 51.505 52.037 -0.253 0.000 0.691 378 A CB 2.135 21.005 19.000 -0.216 0.000 1.291 378 A HN 0.880 nan 8.150 nan 0.000 0.404 379 Q N 0.526 120.279 119.800 -0.078 0.000 2.426 379 Q HA 0.620 4.960 4.340 -0.000 0.000 0.278 379 Q C -0.669 175.306 176.000 -0.042 0.000 1.007 379 Q CA 0.270 56.040 55.803 -0.056 0.000 0.850 379 Q CB 2.088 30.790 28.738 -0.061 0.000 1.427 379 Q HN 2.447 nan 8.270 nan 0.000 0.391 380 G N 2.375 111.150 108.800 -0.042 0.000 2.356 380 G HA2 0.156 4.116 3.960 -0.000 0.000 0.300 380 G HA3 0.156 4.116 3.960 -0.000 0.000 0.300 380 G C -2.686 172.181 174.900 -0.054 0.000 1.331 380 G CA -0.196 44.872 45.100 -0.052 0.000 0.905 380 G HN 0.363 nan 8.290 nan 0.000 0.587 381 P HA 0.036 nan 4.420 nan 0.000 0.220 381 P C 0.410 177.716 177.300 0.010 0.000 1.148 381 P CA 1.320 64.370 63.100 -0.084 0.000 0.803 381 P CB 0.235 31.773 31.700 -0.271 0.000 0.782 382 D N -0.851 119.573 120.400 0.040 0.000 2.369 382 D HA 0.189 4.828 4.640 -0.000 0.000 0.211 382 D C 0.745 177.064 176.300 0.032 0.000 1.077 382 D CA 0.192 54.232 54.000 0.066 0.000 0.842 382 D CB 0.669 41.534 40.800 0.108 0.000 0.947 382 D HN 0.250 nan 8.370 nan 0.000 0.509 383 L N 0.439 121.670 121.223 0.014 0.000 2.322 383 L HA 0.556 4.896 4.340 -0.000 0.000 0.269 383 L C 0.495 177.365 176.870 -0.000 0.000 1.012 383 L CA -1.038 53.808 54.840 0.009 0.000 0.815 383 L CB 1.680 43.741 42.059 0.004 0.000 1.295 383 L HN -0.195 nan 8.230 nan 0.000 0.438 384 A N 1.402 124.223 122.820 0.002 0.000 2.386 384 A HA 0.432 4.751 4.320 -0.000 0.000 0.246 384 A C -0.534 177.041 177.584 -0.014 0.000 1.089 384 A CA -0.056 51.978 52.037 -0.004 0.000 0.790 384 A CB 0.248 19.247 19.000 -0.002 0.000 1.042 384 A HN 0.728 nan 8.150 nan 0.000 0.497 385 Q N -0.516 119.273 119.800 -0.018 0.000 2.330 385 Q HA 0.513 4.853 4.340 -0.000 0.000 0.269 385 Q C 0.311 176.294 176.000 -0.027 0.000 1.022 385 Q CA -0.077 55.708 55.803 -0.029 0.000 0.796 385 Q CB 1.878 30.599 28.738 -0.030 0.000 1.271 385 Q HN 1.727 nan 8.270 nan 0.000 0.450 386 G N 2.256 111.035 108.800 -0.035 0.000 2.198 386 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.257 386 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.257 386 G C -0.244 174.646 174.900 -0.015 0.000 1.042 386 G CA 0.472 45.554 45.100 -0.029 0.000 0.791 386 G HN 0.422 nan 8.290 nan 0.000 0.502 387 K N -0.062 120.332 120.400 -0.010 0.000 2.203 387 K HA 0.694 5.013 4.320 -0.000 0.000 0.251 387 K C -0.421 176.186 176.600 0.010 0.000 0.944 387 K CA -0.504 55.782 56.287 -0.001 0.000 0.829 387 K CB 1.272 33.772 32.500 -0.001 0.000 1.125 387 K HN 0.050 nan 8.250 nan 0.000 0.430 388 T N 3.762 118.322 114.554 0.010 0.000 2.824 388 T HA 0.442 4.792 4.350 -0.000 0.000 0.282 388 T C -0.622 174.080 174.700 0.003 0.000 0.993 388 T CA -0.695 61.416 62.100 0.018 0.000 0.967 388 T CB 0.659 69.536 68.868 0.015 0.000 0.960 388 T HN 0.363 nan 8.240 nan 0.000 0.441 389 L N 3.644 124.872 121.223 0.007 0.000 2.334 389 L HA 0.557 4.897 4.340 -0.000 0.000 0.272 389 L C -2.287 174.540 176.870 -0.072 0.000 1.020 389 L CA -2.736 52.080 54.840 -0.039 0.000 0.812 389 L CB 1.199 43.217 42.059 -0.068 0.000 1.264 389 L HN 0.330 nan 8.230 nan 0.000 0.439 390 P HA 0.029 nan 4.420 nan 0.000 0.271 390 P C -0.090 177.006 177.300 -0.341 0.000 1.233 390 P CA -0.245 62.741 63.100 -0.190 0.000 0.789 390 P CB 0.355 31.973 31.700 -0.135 0.000 0.951 391 G N 0.600 108.907 108.800 -0.822 0.000 2.484 391 G HA2 0.399 4.359 3.960 -0.000 0.000 0.235 391 G HA3 0.399 4.359 3.960 -0.000 0.000 0.235 391 G C -0.692 173.789 174.900 -0.698 0.000 1.282 391 G CA -0.033 44.074 45.100 -1.656 0.000 0.857 391 G HN 0.531 nan 8.290 nan 0.000 0.571 392 F N -0.457 119.174 119.950 -0.533 0.000 2.715 392 F HA 0.677 5.204 4.527 -0.000 0.000 0.318 392 F C -1.143 174.674 175.800 0.030 0.000 1.141 392 F CA -1.688 56.204 58.000 -0.180 0.000 0.950 392 F CB 1.528 40.404 39.000 -0.208 0.000 1.374 392 F HN 0.453 nan 8.300 nan 0.000 0.477 393 D N 0.868 121.306 120.400 0.064 0.000 2.175 393 D HA 0.202 4.842 4.640 -0.000 0.000 0.248 393 D C 0.756 177.059 176.300 0.006 0.000 1.047 393 D CA -0.449 53.560 54.000 0.015 0.000 0.883 393 D CB 1.133 42.009 40.800 0.128 0.000 1.180 393 D HN 0.652 nan 8.370 nan 0.000 0.438 394 N N 2.817 121.490 118.700 -0.045 0.000 2.453 394 N HA -0.169 4.571 4.740 -0.000 0.000 0.183 394 N C 1.614 177.218 175.510 0.156 0.000 1.041 394 N CA 1.454 54.521 53.050 0.029 0.000 0.900 394 N CB -0.721 37.788 38.487 0.037 0.000 0.961 394 N HN 0.332 nan 8.380 nan 0.000 0.443 395 V N -2.359 117.646 119.914 0.150 0.000 2.867 395 V HA -0.093 4.026 4.120 -0.000 0.000 0.260 395 V C 0.994 177.198 176.094 0.183 0.000 1.099 395 V CA 1.763 64.157 62.300 0.156 0.000 1.122 395 V CB -0.585 31.314 31.823 0.128 0.000 0.708 395 V HN -0.037 nan 8.190 nan 0.000 0.490 396 D N 0.441 120.974 120.400 0.222 0.000 2.347 396 D HA 0.045 4.684 4.640 -0.000 0.000 0.213 396 D C 2.093 178.467 176.300 0.123 0.000 0.985 396 D CA 0.877 54.978 54.000 0.168 0.000 0.879 396 D CB 0.322 41.213 40.800 0.152 0.000 0.919 396 D HN 0.473 nan 8.370 nan 0.000 0.526 397 V N 0.607 120.648 119.914 0.211 0.000 2.427 397 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 397 V C 2.144 178.330 176.094 0.153 0.000 1.051 397 V CA 1.147 63.556 62.300 0.182 0.000 1.048 397 V CB -0.691 31.312 31.823 0.299 0.000 0.666 397 V HN 0.190 nan 8.190 nan 0.000 0.456 398 Y N 1.800 122.133 120.300 0.056 0.000 2.151 398 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 398 Y C 2.399 178.297 175.900 -0.005 0.000 1.166 398 Y CA 1.718 59.823 58.100 0.009 0.000 1.163 398 Y CB -0.571 37.882 38.460 -0.012 0.000 0.974 398 Y HN 0.152 nan 8.280 nan 0.000 0.511 399 A N 0.168 122.996 122.820 0.013 0.000 1.908 399 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 399 A C 2.204 179.710 177.584 -0.130 0.000 1.181 399 A CA 1.881 53.870 52.037 -0.080 0.000 0.627 399 A CB -1.269 17.737 19.000 0.009 0.000 0.818 399 A HN 0.581 nan 8.150 nan 0.000 0.445 400 L N -0.573 120.603 121.223 -0.078 0.000 2.017 400 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 400 L C 2.499 179.329 176.870 -0.068 0.000 1.073 400 L CA 2.156 56.963 54.840 -0.054 0.000 0.745 400 L CB -0.497 41.561 42.059 -0.002 0.000 0.894 400 L HN 0.435 nan 8.230 nan 0.000 0.432 401 M N -1.338 118.210 119.600 -0.087 0.000 2.159 401 M HA -0.196 4.284 4.480 -0.000 0.000 0.263 401 M C 2.280 178.461 176.300 -0.198 0.000 1.063 401 M CA 1.776 57.010 55.300 -0.110 0.000 1.110 401 M CB -0.498 32.041 32.600 -0.102 0.000 1.374 401 M HN 0.277 nan 8.290 nan 0.000 0.411 402 S N -0.022 115.464 115.700 -0.358 0.000 2.368 402 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 402 S C 1.856 176.343 174.600 -0.188 0.000 1.030 402 S CA 1.250 59.237 58.200 -0.356 0.000 0.999 402 S CB -0.376 62.504 63.200 -0.533 0.000 0.844 402 S HN 0.414 nan 8.310 nan 0.000 0.459 403 R N 0.889 121.300 120.500 -0.147 0.000 2.081 403 R HA 0.006 4.346 4.340 -0.000 0.000 0.235 403 R C 2.095 178.359 176.300 -0.061 0.000 1.131 403 R CA 1.155 57.202 56.100 -0.087 0.000 0.960 403 R CB -0.338 29.922 30.300 -0.067 0.000 0.856 403 R HN 0.353 nan 8.270 nan 0.000 0.436 404 L N 0.510 121.702 121.223 -0.051 0.000 2.201 404 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 404 L C 1.953 178.812 176.870 -0.019 0.000 1.105 404 L CA 0.830 55.660 54.840 -0.017 0.000 0.775 404 L CB -0.087 41.974 42.059 0.002 0.000 0.913 404 L HN 0.281 nan 8.230 nan 0.000 0.440 405 L N -0.665 120.530 121.223 -0.048 0.000 2.567 405 L HA 0.186 4.526 4.340 -0.000 0.000 0.225 405 L C 1.338 178.177 176.870 -0.051 0.000 1.119 405 L CA 0.322 55.136 54.840 -0.044 0.000 0.871 405 L CB -0.291 41.730 42.059 -0.063 0.000 1.036 405 L HN 0.389 nan 8.230 nan 0.000 0.459 406 G N 2.072 110.836 108.800 -0.059 0.000 2.273 406 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.280 406 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.280 406 G C 0.153 175.017 174.900 -0.060 0.000 1.047 406 G CA 0.700 45.766 45.100 -0.056 0.000 0.869 406 G HN 0.508 nan 8.290 nan 0.000 0.502 407 I N -2.713 117.811 120.570 -0.076 0.000 2.648 407 I HA 0.792 4.962 4.170 -0.000 0.000 0.304 407 I C -2.210 173.863 176.117 -0.072 0.000 1.009 407 I CA -3.433 57.825 61.300 -0.071 0.000 1.114 407 I CB 2.112 40.065 38.000 -0.078 0.000 1.293 407 I HN -0.116 nan 8.210 nan 0.000 0.449 408 P HA 0.151 nan 4.420 nan 0.000 0.271 408 P C -0.450 176.842 177.300 -0.013 0.000 1.220 408 P CA -0.083 63.000 63.100 -0.028 0.000 0.768 408 P CB 0.877 32.570 31.700 -0.012 0.000 0.848 409 A N 3.583 126.400 122.820 -0.007 0.000 2.451 409 A HA 0.467 4.787 4.320 -0.000 0.000 0.266 409 A C 0.853 178.544 177.584 0.178 0.000 1.119 409 A CA -0.205 51.883 52.037 0.086 0.000 0.786 409 A CB -0.500 18.541 19.000 0.068 0.000 1.061 409 A HN 0.665 nan 8.150 nan 0.000 0.503 410 A N 4.655 127.639 122.820 0.274 0.000 2.406 410 A HA 0.540 4.860 4.320 -0.000 0.000 0.243 410 A C -2.196 175.426 177.584 0.063 0.000 1.082 410 A CA -1.104 50.999 52.037 0.110 0.000 0.786 410 A CB -0.609 18.411 19.000 0.033 0.000 1.029 410 A HN 0.656 nan 8.150 nan 0.000 0.495 411 P HA 0.153 nan 4.420 nan 0.000 0.263 411 P C -0.683 176.585 177.300 -0.052 0.000 1.195 411 P CA 0.437 63.530 63.100 -0.011 0.000 0.762 411 P CB 0.210 31.896 31.700 -0.024 0.000 0.799 412 N N 0.496 119.179 118.700 -0.027 0.000 2.972 412 N HA 0.329 5.068 4.740 -0.000 0.000 0.262 412 N C -0.512 175.010 175.510 0.020 0.000 1.478 412 N CA -0.748 52.270 53.050 -0.052 0.000 0.841 412 N CB 0.599 39.005 38.487 -0.136 0.000 1.512 412 N HN -0.043 nan 8.380 nan 0.000 0.548 413 D N -1.339 119.092 120.400 0.051 0.000 2.349 413 D HA 0.204 4.844 4.640 -0.000 0.000 0.214 413 D C 0.571 176.928 176.300 0.094 0.000 1.063 413 D CA 0.209 54.268 54.000 0.099 0.000 0.847 413 D CB -0.018 40.875 40.800 0.155 0.000 0.933 413 D HN 0.580 nan 8.370 nan 0.000 0.513 414 G N 0.386 109.243 108.800 0.095 0.000 2.562 414 G HA2 0.154 4.114 3.960 -0.000 0.000 0.275 414 G HA3 0.154 4.114 3.960 -0.000 0.000 0.275 414 G C -0.027 174.922 174.900 0.082 0.000 1.196 414 G CA -0.338 44.825 45.100 0.106 0.000 0.908 414 G HN -0.040 nan 8.290 nan 0.000 0.524 415 N N 0.324 119.065 118.700 0.068 0.000 2.444 415 N HA 0.345 5.084 4.740 -0.000 0.000 0.262 415 N C -1.647 173.871 175.510 0.013 0.000 0.974 415 N CA -2.261 50.812 53.050 0.038 0.000 0.933 415 N CB 2.202 40.708 38.487 0.031 0.000 1.137 415 N HN -0.036 nan 8.380 nan 0.000 0.498 416 P HA -0.023 nan 4.420 nan 0.000 0.220 416 P C 0.804 178.080 177.300 -0.040 0.000 1.148 416 P CA 0.791 63.884 63.100 -0.012 0.000 0.803 416 P CB 0.255 31.952 31.700 -0.004 0.000 0.782 417 A N -0.600 122.199 122.820 -0.035 0.000 1.972 417 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 417 A C 2.189 179.722 177.584 -0.084 0.000 1.169 417 A CA 2.164 54.172 52.037 -0.049 0.000 0.635 417 A CB -1.859 17.121 19.000 -0.033 0.000 0.810 417 A HN 0.164 nan 8.150 nan 0.000 0.446 418 T N 0.313 114.804 114.554 -0.105 0.000 2.665 418 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 418 T C 1.431 175.963 174.700 -0.279 0.000 1.035 418 T CA 1.621 63.614 62.100 -0.179 0.000 1.151 418 T CB -0.281 68.473 68.868 -0.190 0.000 0.862 418 T HN 0.381 nan 8.240 nan 0.000 0.438 419 L N 0.448 121.498 121.223 -0.288 0.000 2.667 419 L HA 0.316 4.656 4.340 -0.000 0.000 0.232 419 L C 1.818 178.592 176.870 -0.160 0.000 1.138 419 L CA -0.110 54.541 54.840 -0.315 0.000 0.921 419 L CB -0.253 41.566 42.059 -0.401 0.000 1.180 419 L HN 0.218 nan 8.230 nan 0.000 0.487 420 L N 0.774 121.926 121.223 -0.119 0.000 2.043 420 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 420 L C -0.228 176.604 176.870 -0.063 0.000 1.075 420 L CA 1.608 56.404 54.840 -0.074 0.000 0.752 420 L CB -1.634 40.389 42.059 -0.059 0.000 0.891 420 L HN 0.285 nan 8.230 nan 0.000 0.432 421 P HA -0.132 nan 4.420 nan 0.000 0.226 421 P C 1.210 178.486 177.300 -0.041 0.000 1.146 421 P CA 1.266 64.332 63.100 -0.058 0.000 0.773 421 P CB -0.004 31.653 31.700 -0.072 0.000 0.772 422 A N -1.092 121.703 122.820 -0.041 0.000 2.066 422 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 422 A C 1.076 178.669 177.584 0.015 0.000 1.157 422 A CA 0.510 52.555 52.037 0.013 0.000 0.670 422 A CB -0.989 18.051 19.000 0.066 0.000 0.804 422 A HN 0.144 nan 8.150 nan 0.000 0.453 423 L N -0.960 120.261 121.223 -0.002 0.000 2.436 423 L HA 0.229 4.569 4.340 -0.000 0.000 0.265 423 L C 1.791 178.661 176.870 0.000 0.000 1.168 423 L CA -0.446 54.395 54.840 0.002 0.000 0.815 423 L CB 0.524 42.579 42.059 -0.007 0.000 1.109 423 L HN 0.364 nan 8.230 nan 0.000 0.462 424 R N 1.209 121.713 120.500 0.006 0.000 2.096 424 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 424 R C 0.329 176.629 176.300 -0.000 0.000 1.127 424 R CA 1.354 57.456 56.100 0.003 0.000 0.968 424 R CB 0.207 30.513 30.300 0.010 0.000 0.861 424 R HN 0.598 nan 8.270 nan 0.000 0.440 425 M N 0.000 119.600 119.600 -0.000 0.000 2.572 425 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 425 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 425 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 425 M HN 0.000 nan 8.290 nan 0.000 0.411