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 2qqp_1_C DATA FIRST_RESID 73 DATA SEQUENCE QSIDPSEGAV GWFYKYMDPA GAVESGKALG EFSKVPDGLL RYSVDAEQRP DATA SEQUENCE IVTIECPTVS ESDLPLDGKL WRVSFISFPA FRLNFIALAN INNEALTLET DATA SEQUENCE RNTFIQTLNN ITNWRDLGTG QWAQFAPGWY YSIYVLPNTY AMAEIGDRTD DATA SEQUENCE SVTQFRKVYK GITFEFNAPT LIDQGWWVGA HIPVKPQSET IPAAERFSAG DATA SEQUENCE SMTVSASNAI FQPSNTVARI VWSITPLPVA TVALTTGTGG TNNTSGKFFS DATA SEQUENCE VEIDGNVNSV WTFTAPASIL AEGEPFAEEG DTTSFSMTTI TADTVVYSVS DATA SEQUENCE SSLTGSSVIV RGVTKGSGVS ITPVTVGIDT EAVNRLSIEM PALTTEEVTT DATA SEQUENCE NVPKYEQFLC KESGGAYIVH YKMNNPVFEM TGEENFGGFQ FHYPGYDPEN DATA SEQUENCE NALGLRGIVD TFENNFSSAV VHFWGISQSA TIVCKTYDGW EGTTNAGSTV DATA SEQUENCE GQFAHTGAEE EDEVVQLANR LQMELTGVYQ ADDN 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 73 Q HA 0.000 nan 4.340 nan 0.000 0.214 73 Q C 0.000 175.995 176.000 -0.008 0.000 1.003 73 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 73 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 74 S N 2.770 118.463 115.700 -0.011 0.000 2.371 74 S HA 0.285 4.755 4.470 0.000 0.000 0.221 74 S C 0.845 175.436 174.600 -0.015 0.000 1.036 74 S CA 1.039 59.231 58.200 -0.012 0.000 0.965 74 S CB 0.132 63.323 63.200 -0.016 0.000 0.845 74 S HN 0.699 nan 8.310 nan 0.000 0.475 75 I N -0.510 120.048 120.570 -0.019 0.000 2.882 75 I HA 0.437 4.607 4.170 0.000 0.000 0.298 75 I C -2.487 173.616 176.117 -0.023 0.000 1.462 75 I CA -1.008 60.279 61.300 -0.022 0.000 1.000 75 I CB 2.444 40.426 38.000 -0.029 0.000 1.340 75 I HN 0.005 nan 8.210 nan 0.000 0.462 76 D N 5.385 125.774 120.400 -0.019 0.000 2.389 76 D HA 0.435 5.075 4.640 0.000 0.000 0.256 76 D C -2.949 173.342 176.300 -0.014 0.000 1.239 76 D CA -1.122 52.869 54.000 -0.015 0.000 0.925 76 D CB 2.233 43.028 40.800 -0.009 0.000 1.145 76 D HN 0.459 nan 8.370 nan 0.000 0.542 77 P HA 0.167 nan 4.420 nan 0.000 0.282 77 P C 0.168 177.473 177.300 0.009 0.000 1.249 77 P CA -0.359 62.735 63.100 -0.010 0.000 0.806 77 P CB 1.446 33.133 31.700 -0.022 0.000 0.984 78 S N 1.202 116.910 115.700 0.013 0.000 2.603 78 S HA 0.077 4.547 4.470 0.000 0.000 0.268 78 S C 1.344 175.976 174.600 0.053 0.000 1.317 78 S CA -0.567 57.646 58.200 0.022 0.000 1.012 78 S CB 0.582 63.787 63.200 0.008 0.000 0.926 78 S HN 0.459 nan 8.310 nan 0.000 0.539 79 E N 2.643 122.879 120.200 0.060 0.000 2.086 79 E HA -0.223 4.127 4.350 0.000 0.000 0.205 79 E C 2.106 178.792 176.600 0.142 0.000 1.027 79 E CA 1.918 58.377 56.400 0.099 0.000 0.830 79 E CB -1.645 28.101 29.700 0.076 0.000 0.751 79 E HN 0.928 nan 8.360 nan 0.000 0.456 80 G N 0.946 109.806 108.800 0.099 0.000 2.549 80 G HA2 -0.173 3.787 3.960 0.000 0.000 0.222 80 G HA3 -0.173 3.787 3.960 0.000 0.000 0.222 80 G C 1.596 176.618 174.900 0.205 0.000 1.100 80 G CA 1.592 46.766 45.100 0.124 0.000 0.739 80 G HN 0.478 nan 8.290 nan 0.000 0.577 81 A N -0.127 122.801 122.820 0.179 0.000 1.884 81 A HA 0.322 4.642 4.320 0.000 0.000 0.212 81 A C 2.497 180.305 177.584 0.374 0.000 1.265 81 A CA 1.261 53.439 52.037 0.235 0.000 0.626 81 A CB -0.619 18.444 19.000 0.104 0.000 0.943 81 A HN 0.230 nan 8.150 nan 0.000 0.466 82 V N 0.703 120.759 119.914 0.237 0.000 2.220 82 V HA -0.317 3.803 4.120 0.000 0.000 0.250 82 V C 2.861 179.189 176.094 0.390 0.000 1.053 82 V CA 2.424 64.868 62.300 0.240 0.000 1.019 82 V CB -1.946 30.024 31.823 0.245 0.000 0.646 82 V HN 0.619 nan 8.190 nan 0.000 0.455 83 G N -1.402 107.627 108.800 0.382 0.000 2.597 83 G HA2 -0.381 3.579 3.960 0.000 0.000 0.222 83 G HA3 -0.381 3.579 3.960 0.000 0.000 0.222 83 G C 1.263 176.354 174.900 0.317 0.000 1.135 83 G CA 1.401 46.730 45.100 0.382 0.000 0.759 83 G HN 0.701 nan 8.290 nan 0.000 0.595 84 W N 0.594 122.025 121.300 0.218 0.000 2.381 84 W HA 0.089 4.749 4.660 -0.000 0.000 0.321 84 W C 2.217 178.795 176.519 0.097 0.000 1.196 84 W CA 1.432 58.857 57.345 0.133 0.000 1.304 84 W CB -0.829 28.711 29.460 0.134 0.000 1.166 84 W HN 0.112 nan 8.180 nan 0.000 0.473 85 F N 0.568 120.492 119.950 -0.044 0.000 2.037 85 F HA -0.418 4.109 4.527 0.000 0.000 0.296 85 F C 2.300 177.784 175.800 -0.526 0.000 1.132 85 F CA 2.852 60.594 58.000 -0.429 0.000 1.211 85 F CB -1.477 37.386 39.000 -0.229 0.000 0.951 85 F HN 0.029 nan 8.300 nan 0.000 0.503 86 Y N 0.073 120.340 120.300 -0.054 0.000 2.228 86 Y HA -0.319 4.231 4.550 -0.000 0.000 0.285 86 Y C 2.531 178.177 175.900 -0.423 0.000 1.178 86 Y CA 1.562 59.533 58.100 -0.216 0.000 1.202 86 Y CB -0.403 38.027 38.460 -0.050 0.000 0.974 86 Y HN 0.068 nan 8.280 nan 0.000 0.527 87 K N -0.494 119.662 120.400 -0.407 0.000 2.021 87 K HA -0.170 4.150 4.320 0.000 0.000 0.205 87 K C 1.721 177.938 176.600 -0.638 0.000 1.047 87 K CA 1.100 56.988 56.287 -0.666 0.000 0.943 87 K CB -1.011 30.836 32.500 -1.088 0.000 0.725 87 K HN 0.371 nan 8.250 nan 0.000 0.439 88 Y N 0.611 120.356 120.300 -0.924 0.000 2.751 88 Y HA -0.133 4.417 4.550 0.000 0.000 0.310 88 Y C 1.656 177.297 175.900 -0.431 0.000 1.176 88 Y CA 0.657 58.424 58.100 -0.555 0.000 1.360 88 Y CB -0.003 37.886 38.460 -0.952 0.000 0.999 88 Y HN 0.018 nan 8.280 nan 0.000 0.532 89 M N -1.037 118.226 119.600 -0.561 0.000 2.979 89 M HA 0.207 4.687 4.480 0.000 0.000 0.221 89 M C -0.319 175.803 176.300 -0.297 0.000 1.769 89 M CA 0.715 55.695 55.300 -0.534 0.000 1.260 89 M CB 0.601 32.809 32.600 -0.654 0.000 1.227 89 M HN -0.002 nan 8.290 nan 0.000 0.587 90 D N 0.611 120.889 120.400 -0.203 0.000 2.656 90 D HA 0.304 4.944 4.640 0.000 0.000 0.303 90 D C -2.209 174.043 176.300 -0.080 0.000 1.199 90 D CA -1.550 52.431 54.000 -0.033 0.000 0.797 90 D CB 0.867 41.633 40.800 -0.057 0.000 1.170 90 D HN 0.115 nan 8.370 nan 0.000 0.509 91 P HA -0.128 nan 4.420 nan 0.000 0.229 91 P C 0.729 177.695 177.300 -0.556 0.000 1.147 91 P CA 0.690 63.655 63.100 -0.224 0.000 0.766 91 P CB 0.479 32.255 31.700 0.127 0.000 0.775 92 A N -0.134 122.438 122.820 -0.413 0.000 2.011 92 A HA 0.370 4.690 4.320 0.000 0.000 0.204 92 A C 2.463 179.794 177.584 -0.422 0.000 1.520 92 A CA 0.844 52.522 52.037 -0.598 0.000 0.819 92 A CB -1.204 17.482 19.000 -0.523 0.000 1.087 92 A HN 0.211 nan 8.150 nan 0.000 0.526 93 G N 0.179 108.825 108.800 -0.257 0.000 2.432 93 G HA2 0.063 4.023 3.960 0.000 0.000 0.219 93 G HA3 0.063 4.023 3.960 0.000 0.000 0.219 93 G C 1.646 176.403 174.900 -0.237 0.000 1.135 93 G CA 1.606 46.586 45.100 -0.200 0.000 0.767 93 G HN 0.758 nan 8.290 nan 0.000 0.550 94 A N 0.412 123.071 122.820 -0.268 0.000 1.852 94 A HA -0.071 4.249 4.320 0.000 0.000 0.217 94 A C 2.613 180.018 177.584 -0.297 0.000 1.215 94 A CA 2.263 54.133 52.037 -0.279 0.000 0.641 94 A CB -1.077 17.715 19.000 -0.346 0.000 0.838 94 A HN 0.279 nan 8.150 nan 0.000 0.450 95 V N -0.339 119.339 119.914 -0.392 0.000 2.233 95 V HA -0.299 3.821 4.120 0.000 0.000 0.247 95 V C 2.547 178.525 176.094 -0.194 0.000 1.050 95 V CA 2.650 64.774 62.300 -0.293 0.000 1.010 95 V CB -0.966 30.635 31.823 -0.369 0.000 0.637 95 V HN 0.696 nan 8.190 nan 0.000 0.444 96 E N -0.092 119.976 120.200 -0.220 0.000 2.114 96 E HA -0.233 4.117 4.350 0.000 0.000 0.199 96 E C 2.143 178.667 176.600 -0.127 0.000 1.008 96 E CA 1.755 58.068 56.400 -0.146 0.000 0.810 96 E CB -0.304 29.303 29.700 -0.156 0.000 0.739 96 E HN 0.455 nan 8.360 nan 0.000 0.456 97 S N -1.265 114.339 115.700 -0.160 0.000 2.710 97 S HA 0.134 4.604 4.470 0.000 0.000 0.224 97 S C 1.242 175.751 174.600 -0.151 0.000 0.948 97 S CA 0.628 58.734 58.200 -0.156 0.000 0.949 97 S CB -0.504 62.576 63.200 -0.200 0.000 0.778 97 S HN 0.502 nan 8.310 nan 0.000 0.498 98 G N 1.660 110.388 108.800 -0.121 0.000 2.219 98 G HA2 -0.364 3.596 3.960 0.000 0.000 0.271 98 G HA3 -0.364 3.596 3.960 0.000 0.000 0.271 98 G C 0.976 175.817 174.900 -0.098 0.000 0.991 98 G CA 1.166 46.218 45.100 -0.081 0.000 0.685 98 G HN 0.584 nan 8.290 nan 0.000 0.531 99 K N 0.137 120.426 120.400 -0.186 0.000 2.283 99 K HA 0.264 4.584 4.320 0.000 0.000 0.202 99 K C 1.644 178.193 176.600 -0.086 0.000 1.048 99 K CA 0.678 56.803 56.287 -0.270 0.000 0.948 99 K CB 0.035 32.160 32.500 -0.625 0.000 0.742 99 K HN 0.560 nan 8.250 nan 0.000 0.458 100 A N 2.003 124.773 122.820 -0.083 0.000 2.350 100 A HA 0.392 4.712 4.320 0.000 0.000 0.293 100 A C -0.449 177.268 177.584 0.221 0.000 1.231 100 A CA -0.425 51.595 52.037 -0.029 0.000 0.883 100 A CB -0.282 18.504 19.000 -0.356 0.000 1.133 100 A HN 0.189 nan 8.150 nan 0.000 0.533 101 L N 0.548 121.989 121.223 0.363 0.000 2.409 101 L HA 1.020 5.360 4.340 0.000 0.000 0.255 101 L C 0.403 177.439 176.870 0.276 0.000 1.027 101 L CA -0.137 54.881 54.840 0.297 0.000 0.834 101 L CB 0.346 42.500 42.059 0.158 0.000 1.426 101 L HN 1.870 nan 8.230 nan 0.000 0.411 102 G N 0.337 109.196 108.800 0.097 0.000 2.796 102 G HA2 -0.134 3.826 3.960 0.000 0.000 0.226 102 G HA3 -0.134 3.826 3.960 0.000 0.000 0.226 102 G C -0.323 174.462 174.900 -0.193 0.000 1.381 102 G CA 0.170 45.267 45.100 -0.005 0.000 0.867 102 G HN 1.082 nan 8.290 nan 0.000 0.552 103 E N 0.839 120.926 120.200 -0.189 0.000 1.852 103 E HA 0.442 4.792 4.350 0.000 0.000 0.276 103 E C 1.417 177.926 176.600 -0.153 0.000 1.163 103 E CA 0.021 56.240 56.400 -0.303 0.000 1.117 103 E CB -0.784 28.807 29.700 -0.182 0.000 1.124 103 E HN 0.571 nan 8.360 nan 0.000 0.458 104 F N -0.164 119.867 119.950 0.135 0.000 2.604 104 F HA 0.097 4.624 4.527 0.000 0.000 0.298 104 F C 1.469 177.488 175.800 0.366 0.000 1.131 104 F CA -0.087 58.051 58.000 0.230 0.000 1.457 104 F CB -0.590 38.511 39.000 0.169 0.000 1.095 104 F HN 0.122 nan 8.300 nan 0.000 0.574 105 S N -0.576 115.471 115.700 0.578 0.000 2.555 105 S HA 0.003 4.473 4.470 0.000 0.000 0.230 105 S C 0.679 175.469 174.600 0.317 0.000 0.978 105 S CA 0.223 58.770 58.200 0.579 0.000 0.934 105 S CB -0.378 62.962 63.200 0.233 0.000 0.766 105 S HN 0.341 nan 8.310 nan 0.000 0.533 106 K N 1.960 122.458 120.400 0.163 0.000 2.211 106 K HA 0.368 4.688 4.320 0.000 0.000 0.275 106 K C -0.843 175.572 176.600 -0.309 0.000 1.024 106 K CA -0.378 55.881 56.287 -0.047 0.000 0.887 106 K CB 1.651 34.106 32.500 -0.075 0.000 1.084 106 K HN -0.083 nan 8.250 nan 0.000 0.463 107 V N 5.755 125.345 119.914 -0.539 0.000 2.439 107 V HA 0.057 4.177 4.120 0.000 0.000 0.271 107 V C -1.495 174.066 176.094 -0.889 0.000 1.040 107 V CA -1.311 60.260 62.300 -1.215 0.000 1.002 107 V CB 0.533 31.680 31.823 -1.126 0.000 1.000 107 V HN 0.723 nan 8.190 nan 0.000 0.477 108 P HA -0.024 nan 4.420 nan 0.000 0.277 108 P C 0.264 177.326 177.300 -0.396 0.000 1.617 108 P CA 0.285 63.093 63.100 -0.488 0.000 0.829 108 P CB -0.004 31.491 31.700 -0.342 0.000 1.774 109 D N -1.098 119.051 120.400 -0.419 0.000 2.346 109 D HA 0.013 4.653 4.640 0.000 0.000 0.206 109 D C 1.132 177.340 176.300 -0.154 0.000 1.001 109 D CA 0.275 54.120 54.000 -0.259 0.000 0.871 109 D CB -0.845 39.805 40.800 -0.251 0.000 0.943 109 D HN 0.166 nan 8.370 nan 0.000 0.518 110 G N 1.111 109.815 108.800 -0.161 0.000 2.381 110 G HA2 -0.179 3.781 3.960 0.000 0.000 0.281 110 G HA3 -0.179 3.781 3.960 0.000 0.000 0.281 110 G C 0.142 175.000 174.900 -0.069 0.000 0.984 110 G CA 0.509 45.550 45.100 -0.098 0.000 1.339 110 G HN 0.530 nan 8.290 nan 0.000 0.485 111 L N 0.571 121.751 121.223 -0.072 0.000 3.086 111 L HA 0.626 4.966 4.340 0.000 0.000 0.274 111 L C 0.352 177.195 176.870 -0.044 0.000 1.184 111 L CA 0.166 54.978 54.840 -0.046 0.000 1.002 111 L CB 0.359 42.394 42.059 -0.039 0.000 1.383 111 L HN 0.357 nan 8.230 nan 0.000 0.582 112 L N -0.566 120.624 121.223 -0.054 0.000 2.381 112 L HA 0.518 4.858 4.340 0.000 0.000 0.268 112 L C 0.863 177.726 176.870 -0.012 0.000 0.997 112 L CA -0.855 53.949 54.840 -0.060 0.000 0.818 112 L CB 1.866 43.856 42.059 -0.114 0.000 1.310 112 L HN -0.151 nan 8.230 nan 0.000 0.416 113 R N 1.316 121.834 120.500 0.029 0.000 2.062 113 R HA -0.034 4.306 4.340 0.000 0.000 0.231 113 R C -0.404 176.007 176.300 0.185 0.000 1.136 113 R CA 1.608 57.780 56.100 0.120 0.000 0.948 113 R CB 0.013 30.439 30.300 0.210 0.000 0.845 113 R HN 0.626 nan 8.270 nan 0.000 0.430 114 Y N -2.400 117.909 120.300 0.016 0.000 2.576 114 Y HA 0.684 5.234 4.550 0.000 0.000 0.346 114 Y C -0.987 174.931 175.900 0.030 0.000 1.018 114 Y CA -1.304 56.809 58.100 0.022 0.000 1.050 114 Y CB 1.856 40.322 38.460 0.010 0.000 1.280 114 Y HN -0.007 nan 8.280 nan 0.000 0.474 115 S N 1.197 116.930 115.700 0.056 0.000 2.558 115 S HA 0.589 5.059 4.470 0.000 0.000 0.277 115 S C -2.374 172.260 174.600 0.057 0.000 1.143 115 S CA -0.840 57.331 58.200 -0.049 0.000 0.865 115 S CB 1.290 64.441 63.200 -0.082 0.000 1.102 115 S HN 0.881 nan 8.310 nan 0.000 0.454 116 V N 3.665 123.598 119.914 0.031 0.000 2.347 116 V HA 0.485 4.605 4.120 0.000 0.000 0.280 116 V C -0.820 175.108 176.094 -0.276 0.000 1.021 116 V CA -0.380 61.913 62.300 -0.013 0.000 0.847 116 V CB 1.060 32.936 31.823 0.089 0.000 0.990 116 V HN 0.998 nan 8.190 nan 0.000 0.444 117 D N 4.712 124.946 120.400 -0.276 0.000 2.217 117 D HA 0.819 5.459 4.640 0.000 0.000 0.248 117 D C -0.324 175.651 176.300 -0.542 0.000 1.008 117 D CA -0.664 53.099 54.000 -0.395 0.000 0.914 117 D CB 2.346 43.053 40.800 -0.155 0.000 1.182 117 D HN 0.672 nan 8.370 nan 0.000 0.451 118 A N 0.591 122.995 122.820 -0.694 0.000 2.605 118 A HA 0.558 4.878 4.320 0.000 0.000 0.294 118 A C -1.463 176.003 177.584 -0.196 0.000 1.062 118 A CA -0.877 50.874 52.037 -0.477 0.000 0.682 118 A CB 1.613 20.269 19.000 -0.574 0.000 1.278 118 A HN 0.605 nan 8.150 nan 0.000 0.410 119 E N 1.191 121.424 120.200 0.055 0.000 2.279 119 E HA 0.393 4.743 4.350 0.000 0.000 0.252 119 E C -1.152 175.534 176.600 0.143 0.000 0.894 119 E CA -0.272 56.234 56.400 0.177 0.000 0.785 119 E CB 1.065 31.012 29.700 0.412 0.000 1.237 119 E HN 0.639 nan 8.360 nan 0.000 0.418 120 Q N 3.029 122.901 119.800 0.120 0.000 2.296 120 Q HA 0.344 4.684 4.340 0.000 0.000 0.257 120 Q C -0.563 175.419 176.000 -0.030 0.000 0.942 120 Q CA -0.102 55.731 55.803 0.049 0.000 0.939 120 Q CB 1.356 30.119 28.738 0.041 0.000 1.198 120 Q HN 0.273 nan 8.270 nan 0.000 0.429 121 R N 3.061 123.498 120.500 -0.105 0.000 2.860 121 R HA 0.313 4.653 4.340 0.000 0.000 0.282 121 R C -2.509 173.658 176.300 -0.221 0.000 1.408 121 R CA -1.702 54.231 56.100 -0.277 0.000 1.636 121 R CB 0.221 30.241 30.300 -0.468 0.000 1.187 121 R HN 0.386 nan 8.270 nan 0.000 0.611 122 P HA 0.135 nan 4.420 nan 0.000 0.275 122 P C -0.463 176.758 177.300 -0.131 0.000 1.227 122 P CA -0.091 62.944 63.100 -0.110 0.000 0.781 122 P CB 0.878 32.538 31.700 -0.067 0.000 0.906 123 I N 3.045 123.550 120.570 -0.108 0.000 2.537 123 I HA 0.204 4.374 4.170 0.000 0.000 0.276 123 I C -0.442 175.637 176.117 -0.064 0.000 1.063 123 I CA -0.858 60.376 61.300 -0.111 0.000 1.144 123 I CB 1.145 39.077 38.000 -0.112 0.000 1.252 123 I HN 0.016 nan 8.210 nan 0.000 0.480 124 V N 1.714 121.602 119.914 -0.042 0.000 2.435 124 V HA 0.502 4.622 4.120 0.000 0.000 0.290 124 V C 0.630 176.716 176.094 -0.013 0.000 1.030 124 V CA -0.571 61.731 62.300 0.004 0.000 0.881 124 V CB 1.199 33.073 31.823 0.085 0.000 0.983 124 V HN 0.733 nan 8.190 nan 0.000 0.445 125 T N 1.885 116.443 114.554 0.006 0.000 3.316 125 T HA 0.452 4.803 4.350 0.000 0.000 0.341 125 T C -0.019 174.726 174.700 0.076 0.000 1.397 125 T CA -0.344 61.765 62.100 0.015 0.000 1.085 125 T CB -0.516 68.355 68.868 0.005 0.000 1.160 125 T HN 0.380 nan 8.240 nan 0.000 0.694 126 I N 4.450 125.084 120.570 0.105 0.000 2.886 126 I HA 0.016 4.186 4.170 0.000 0.000 0.293 126 I C 1.060 177.406 176.117 0.383 0.000 1.157 126 I CA 0.100 61.546 61.300 0.243 0.000 1.472 126 I CB -0.894 37.312 38.000 0.343 0.000 1.492 126 I HN 0.637 nan 8.210 nan 0.000 0.652 127 E N 6.296 126.693 120.200 0.327 0.000 2.318 127 E HA 0.089 4.439 4.350 0.000 0.000 0.265 127 E C -0.328 176.369 176.600 0.162 0.000 1.069 127 E CA -0.664 55.862 56.400 0.210 0.000 0.893 127 E CB 1.521 31.271 29.700 0.084 0.000 1.076 127 E HN 0.468 nan 8.360 nan 0.000 0.414 128 C N 4.308 123.262 119.300 -0.577 0.000 2.634 128 C HA 0.074 4.534 4.460 0.000 0.000 0.417 128 C C -0.781 173.736 174.990 -0.788 0.000 1.334 128 C CA -0.988 57.157 59.018 -1.454 0.000 1.829 128 C CB -0.157 26.459 27.740 -1.874 0.000 2.665 128 C HN 0.691 nan 8.230 nan 0.000 0.614 129 P HA -0.130 nan 4.420 nan 0.000 0.211 129 P C 0.748 177.623 177.300 -0.708 0.000 1.181 129 P CA 2.424 64.689 63.100 -1.392 0.000 0.929 129 P CB -0.439 30.029 31.700 -2.053 0.000 0.789 130 T N 0.892 115.035 114.554 -0.685 0.000 3.667 130 T HA 0.279 4.629 4.350 0.000 0.000 0.240 130 T C 0.399 174.952 174.700 -0.246 0.000 0.919 130 T CA -0.065 61.813 62.100 -0.369 0.000 0.928 130 T CB -0.948 67.740 68.868 -0.300 0.000 1.151 130 T HN -0.121 nan 8.240 nan 0.000 0.644 131 V N 0.587 120.356 119.914 -0.241 0.000 2.864 131 V HA 0.492 4.612 4.120 0.000 0.000 0.314 131 V C 0.231 176.278 176.094 -0.079 0.000 1.073 131 V CA -1.065 61.127 62.300 -0.179 0.000 0.956 131 V CB 2.204 33.865 31.823 -0.271 0.000 1.023 131 V HN 0.342 nan 8.190 nan 0.000 0.435 132 S N 1.544 117.207 115.700 -0.062 0.000 2.400 132 S HA 0.184 4.654 4.470 0.000 0.000 0.295 132 S C 1.055 175.634 174.600 -0.035 0.000 1.113 132 S CA -0.460 57.721 58.200 -0.031 0.000 1.064 132 S CB 0.198 63.379 63.200 -0.033 0.000 0.990 132 S HN 0.779 nan 8.310 nan 0.000 0.502 133 E N 2.839 123.028 120.200 -0.018 0.000 2.396 133 E HA -0.093 4.257 4.350 0.000 0.000 0.200 133 E C 1.264 177.852 176.600 -0.020 0.000 1.023 133 E CA 0.775 57.166 56.400 -0.016 0.000 0.857 133 E CB 0.099 29.798 29.700 -0.001 0.000 0.775 133 E HN 0.577 nan 8.360 nan 0.000 0.525 134 S N 0.922 116.610 115.700 -0.020 0.000 2.291 134 S HA -0.062 4.408 4.470 0.000 0.000 0.185 134 S C 0.922 175.506 174.600 -0.027 0.000 0.996 134 S CA 0.041 58.229 58.200 -0.021 0.000 0.997 134 S CB -0.040 63.149 63.200 -0.018 0.000 0.899 134 S HN 0.169 nan 8.310 nan 0.000 0.493 135 D N 2.709 123.090 120.400 -0.031 0.000 2.522 135 D HA 0.244 4.884 4.640 0.000 0.000 0.218 135 D C -0.572 175.703 176.300 -0.042 0.000 1.149 135 D CA -0.466 53.513 54.000 -0.034 0.000 0.981 135 D CB -0.176 40.603 40.800 -0.035 0.000 1.041 135 D HN 0.168 nan 8.370 nan 0.000 0.518 136 L N 3.124 124.321 121.223 -0.044 0.000 2.456 136 L HA 0.507 4.847 4.340 0.000 0.000 0.272 136 L C -2.474 174.364 176.870 -0.053 0.000 1.189 136 L CA -0.902 53.904 54.840 -0.058 0.000 0.846 136 L CB 0.160 42.183 42.059 -0.059 0.000 1.111 136 L HN 0.064 nan 8.230 nan 0.000 0.475 137 P HA 0.247 nan 4.420 nan 0.000 0.292 137 P C -0.490 176.784 177.300 -0.043 0.000 1.283 137 P CA -0.505 62.566 63.100 -0.049 0.000 0.835 137 P CB 1.445 33.112 31.700 -0.055 0.000 1.017 138 L N 2.225 123.431 121.223 -0.028 0.000 2.955 138 L HA 0.040 4.380 4.340 0.000 0.000 0.238 138 L C 1.570 178.434 176.870 -0.011 0.000 1.359 138 L CA -0.112 54.718 54.840 -0.016 0.000 1.214 138 L CB -0.973 41.082 42.059 -0.007 0.000 1.600 138 L HN 0.383 nan 8.230 nan 0.000 0.442 139 D N 2.636 123.022 120.400 -0.023 0.000 2.421 139 D HA -0.252 4.388 4.640 0.000 0.000 0.195 139 D C 1.724 178.025 176.300 0.001 0.000 1.022 139 D CA 2.356 56.343 54.000 -0.021 0.000 0.871 139 D CB 0.136 40.909 40.800 -0.045 0.000 1.026 139 D HN 0.570 nan 8.370 nan 0.000 0.462 140 G N -0.463 108.347 108.800 0.017 0.000 2.134 140 G HA2 -0.216 3.744 3.960 0.000 0.000 0.209 140 G HA3 -0.216 3.744 3.960 0.000 0.000 0.209 140 G C 0.277 175.206 174.900 0.048 0.000 0.993 140 G CA 0.454 45.579 45.100 0.042 0.000 0.669 140 G HN 0.408 nan 8.290 nan 0.000 0.519 141 K N -0.433 119.987 120.400 0.033 0.000 2.148 141 K HA 0.803 5.123 4.320 0.000 0.000 0.239 141 K C 0.754 177.409 176.600 0.091 0.000 1.018 141 K CA -0.498 55.809 56.287 0.035 0.000 0.923 141 K CB 1.301 33.793 32.500 -0.013 0.000 1.117 141 K HN 0.197 nan 8.250 nan 0.000 0.477 142 L N -0.248 121.043 121.223 0.114 0.000 2.558 142 L HA 0.590 4.930 4.340 0.000 0.000 0.260 142 L C -0.996 176.082 176.870 0.346 0.000 1.130 142 L CA -0.910 54.065 54.840 0.225 0.000 1.049 142 L CB 0.909 43.056 42.059 0.146 0.000 1.758 142 L HN 0.759 nan 8.230 nan 0.000 0.555 143 W N 0.058 121.261 121.300 -0.161 0.000 3.851 143 W HA 0.254 4.914 4.660 0.000 0.000 0.282 143 W C -2.110 174.175 176.519 -0.390 0.000 1.149 143 W CA -1.078 56.086 57.345 -0.302 0.000 1.131 143 W CB 0.318 29.597 29.460 -0.302 0.000 1.228 143 W HN 0.550 nan 8.180 nan 0.000 0.569 144 R N 2.461 122.555 120.500 -0.677 0.000 2.457 144 R HA 0.734 5.074 4.340 0.000 0.000 0.284 144 R C -1.608 174.207 176.300 -0.808 0.000 1.024 144 R CA -0.553 54.903 56.100 -1.073 0.000 1.025 144 R CB 1.934 31.349 30.300 -1.475 0.000 1.063 144 R HN 0.622 nan 8.270 nan 0.000 0.493 145 V N 3.319 122.769 119.914 -0.775 0.000 2.653 145 V HA 0.335 4.455 4.120 0.000 0.000 0.298 145 V C -1.601 174.137 176.094 -0.593 0.000 1.097 145 V CA -0.335 61.569 62.300 -0.659 0.000 0.908 145 V CB 2.256 33.542 31.823 -0.894 0.000 1.024 145 V HN 0.905 nan 8.190 nan 0.000 0.435 146 S N 7.097 122.538 115.700 -0.431 0.000 2.454 146 S HA 0.784 5.254 4.470 0.000 0.000 0.306 146 S C -0.921 173.401 174.600 -0.463 0.000 1.100 146 S CA -0.307 57.752 58.200 -0.234 0.000 1.087 146 S CB 1.335 64.700 63.200 0.275 0.000 1.019 146 S HN 0.577 nan 8.310 nan 0.000 0.480 147 F N 1.835 121.649 119.950 -0.227 0.000 2.458 147 F HA 0.573 5.100 4.527 0.000 0.000 0.336 147 F C -0.211 175.486 175.800 -0.171 0.000 1.114 147 F CA -0.969 56.911 58.000 -0.200 0.000 0.987 147 F CB 0.982 39.625 39.000 -0.596 0.000 1.130 147 F HN 0.304 nan 8.300 nan 0.000 0.458 148 I N 2.157 122.839 120.570 0.187 0.000 2.621 148 I HA 0.156 4.326 4.170 0.000 0.000 0.276 148 I C 0.126 176.159 176.117 -0.140 0.000 1.118 148 I CA -0.203 61.055 61.300 -0.070 0.000 1.159 148 I CB 1.036 38.986 38.000 -0.083 0.000 1.357 148 I HN 0.466 nan 8.210 nan 0.000 0.513 149 S N 5.164 120.879 115.700 0.025 0.000 2.533 149 S HA 0.501 4.971 4.470 0.000 0.000 0.282 149 S C -0.534 174.087 174.600 0.035 0.000 1.304 149 S CA 0.179 58.516 58.200 0.229 0.000 1.063 149 S CB 0.065 63.497 63.200 0.386 0.000 0.881 149 S HN 0.272 nan 8.310 nan 0.000 0.493 150 F N 5.558 125.776 119.950 0.447 0.000 2.495 150 F HA 0.427 4.954 4.527 0.000 0.000 0.327 150 F C -1.722 174.192 175.800 0.191 0.000 1.103 150 F CA -2.185 56.063 58.000 0.412 0.000 0.949 150 F CB 2.253 41.583 39.000 0.551 0.000 1.142 150 F HN 0.428 nan 8.300 nan 0.000 0.457 151 P HA 0.136 nan 4.420 nan 0.000 0.225 151 P C -0.701 176.524 177.300 -0.124 0.000 1.768 151 P CA 0.364 63.480 63.100 0.027 0.000 0.943 151 P CB -0.102 31.664 31.700 0.110 0.000 1.936 152 A N 0.741 123.597 122.820 0.060 0.000 2.282 152 A HA 0.406 4.726 4.320 0.000 0.000 0.319 152 A C 0.721 178.405 177.584 0.167 0.000 1.121 152 A CA -0.645 51.497 52.037 0.174 0.000 0.836 152 A CB 0.303 19.427 19.000 0.206 0.000 1.146 152 A HN 0.174 nan 8.150 nan 0.000 0.494 153 F N 1.314 121.207 119.950 -0.095 0.000 2.000 153 F HA -0.144 4.383 4.527 -0.000 0.000 0.296 153 F C 2.016 177.585 175.800 -0.384 0.000 1.159 153 F CA 2.513 60.179 58.000 -0.557 0.000 1.183 153 F CB 0.009 38.466 39.000 -0.906 0.000 0.959 153 F HN 0.628 nan 8.300 nan 0.000 0.490 154 R N 1.103 121.394 120.500 -0.348 0.000 3.311 154 R HA 0.378 4.718 4.340 0.000 0.000 0.332 154 R C -1.112 175.110 176.300 -0.131 0.000 1.317 154 R CA -0.147 55.746 56.100 -0.346 0.000 1.192 154 R CB -0.078 30.088 30.300 -0.224 0.000 1.454 154 R HN 0.312 nan 8.270 nan 0.000 0.605 155 L N 1.544 122.682 121.223 -0.143 0.000 2.528 155 L HA 0.299 4.639 4.340 0.000 0.000 0.267 155 L C -0.730 176.127 176.870 -0.022 0.000 0.961 155 L CA -0.323 54.437 54.840 -0.132 0.000 0.866 155 L CB 2.244 44.136 42.059 -0.279 0.000 1.248 155 L HN 0.295 nan 8.230 nan 0.000 0.404 156 N N 3.765 122.439 118.700 -0.044 0.000 2.131 156 N HA 0.183 4.923 4.740 0.000 0.000 0.190 156 N C -0.259 175.423 175.510 0.285 0.000 1.055 156 N CA 1.873 54.965 53.050 0.069 0.000 0.853 156 N CB 0.254 38.709 38.487 -0.052 0.000 1.035 156 N HN 0.553 nan 8.380 nan 0.000 0.440 157 F N -1.596 118.506 119.950 0.253 0.000 2.985 157 F HA 0.568 5.095 4.527 0.000 0.000 0.322 157 F C -1.632 174.441 175.800 0.455 0.000 1.187 157 F CA -1.356 56.854 58.000 0.350 0.000 0.910 157 F CB 0.918 40.099 39.000 0.303 0.000 1.411 157 F HN -0.282 nan 8.300 nan 0.000 0.492 158 I N 1.435 122.470 120.570 0.775 0.000 2.603 158 I HA 0.736 4.906 4.170 0.000 0.000 0.300 158 I C -0.693 175.918 176.117 0.823 0.000 1.017 158 I CA -1.285 60.427 61.300 0.687 0.000 1.098 158 I CB 2.033 40.380 38.000 0.578 0.000 1.279 158 I HN 0.900 nan 8.210 nan 0.000 0.437 159 A N 6.606 129.904 122.820 0.796 0.000 2.291 159 A HA 0.624 4.944 4.320 0.000 0.000 0.311 159 A C -0.889 177.081 177.584 0.644 0.000 1.224 159 A CA -0.470 51.934 52.037 0.613 0.000 0.821 159 A CB 1.013 20.379 19.000 0.610 0.000 1.172 159 A HN 0.676 nan 8.150 nan 0.000 0.494 160 L N 2.244 123.665 121.223 0.331 0.000 2.360 160 L HA 0.847 5.187 4.340 0.000 0.000 0.271 160 L C 0.147 177.159 176.870 0.238 0.000 1.057 160 L CA -0.055 54.978 54.840 0.321 0.000 0.803 160 L CB 1.699 43.763 42.059 0.009 0.000 1.207 160 L HN 0.899 nan 8.230 nan 0.000 0.445 161 A N 3.817 126.801 122.820 0.272 0.000 2.567 161 A HA 0.581 4.901 4.320 0.000 0.000 0.289 161 A C -1.110 176.272 177.584 -0.336 0.000 1.177 161 A CA -0.688 51.309 52.037 -0.066 0.000 0.694 161 A CB 1.820 20.657 19.000 -0.272 0.000 1.292 161 A HN 0.805 nan 8.150 nan 0.000 0.425 162 N N 0.174 118.591 118.700 -0.472 0.000 3.547 162 N HA 0.112 4.852 4.740 0.000 0.000 0.203 162 N C 0.451 175.706 175.510 -0.425 0.000 1.410 162 N CA 0.082 52.646 53.050 -0.810 0.000 0.811 162 N CB 0.400 37.904 38.487 -1.639 0.000 1.665 162 N HN 0.689 nan 8.380 nan 0.000 0.686 163 I N 0.516 120.911 120.570 -0.292 0.000 2.076 163 I HA -0.160 4.010 4.170 0.000 0.000 0.237 163 I C 0.774 176.801 176.117 -0.151 0.000 1.059 163 I CA 0.949 62.121 61.300 -0.212 0.000 1.317 163 I CB -0.839 37.024 38.000 -0.229 0.000 1.037 163 I HN 0.456 nan 8.210 nan 0.000 0.398 164 N N 3.044 121.656 118.700 -0.146 0.000 2.492 164 N HA -0.014 4.726 4.740 0.000 0.000 0.262 164 N C -0.727 174.713 175.510 -0.117 0.000 1.202 164 N CA -0.259 52.740 53.050 -0.085 0.000 0.926 164 N CB -0.254 38.211 38.487 -0.037 0.000 1.078 164 N HN 0.303 nan 8.380 nan 0.000 0.454 165 N N 1.308 119.987 118.700 -0.035 0.000 2.421 165 N HA 0.046 4.786 4.740 0.000 0.000 0.260 165 N C -0.621 174.933 175.510 0.074 0.000 1.173 165 N CA -0.041 53.012 53.050 0.004 0.000 0.960 165 N CB 0.173 38.703 38.487 0.073 0.000 1.273 165 N HN 0.854 nan 8.380 nan 0.000 0.497 166 E N 0.829 121.070 120.200 0.067 0.000 2.356 166 E HA 0.621 4.971 4.350 0.000 0.000 0.275 166 E C -1.179 175.688 176.600 0.445 0.000 0.904 166 E CA -0.976 55.559 56.400 0.226 0.000 0.757 166 E CB 1.876 31.715 29.700 0.232 0.000 1.232 166 E HN 0.374 nan 8.360 nan 0.000 0.442 167 A N 2.381 125.479 122.820 0.463 0.000 2.310 167 A HA 0.341 4.661 4.320 0.000 0.000 0.260 167 A C -0.352 177.608 177.584 0.626 0.000 1.112 167 A CA -0.499 51.855 52.037 0.528 0.000 0.804 167 A CB 0.315 19.465 19.000 0.250 0.000 1.081 167 A HN 0.502 nan 8.150 nan 0.000 0.499 168 L N 1.545 123.018 121.223 0.417 0.000 2.389 168 L HA 0.275 4.615 4.340 0.000 0.000 0.265 168 L C 0.437 177.296 176.870 -0.019 0.000 1.167 168 L CA 0.417 55.276 54.840 0.032 0.000 1.045 168 L CB -0.651 41.431 42.059 0.039 0.000 1.351 168 L HN 0.725 nan 8.230 nan 0.000 0.419 169 T N 2.739 117.273 114.554 -0.033 0.000 2.855 169 T HA -0.043 4.307 4.350 0.000 0.000 0.322 169 T C 1.374 176.063 174.700 -0.017 0.000 1.088 169 T CA -0.136 61.962 62.100 -0.004 0.000 1.104 169 T CB 0.690 69.557 68.868 -0.001 0.000 0.996 169 T HN 0.528 nan 8.240 nan 0.000 0.549 170 L N 1.525 122.763 121.223 0.025 0.000 2.012 170 L HA -0.073 4.267 4.340 0.000 0.000 0.210 170 L C 2.501 179.398 176.870 0.046 0.000 1.073 170 L CA 2.051 56.924 54.840 0.055 0.000 0.748 170 L CB -1.083 41.013 42.059 0.062 0.000 0.891 170 L HN 0.865 nan 8.230 nan 0.000 0.431 171 E N -0.576 119.641 120.200 0.029 0.000 2.055 171 E HA -0.273 4.077 4.350 0.000 0.000 0.209 171 E C 1.899 178.502 176.600 0.005 0.000 1.036 171 E CA 2.870 59.287 56.400 0.028 0.000 0.849 171 E CB -0.863 28.847 29.700 0.017 0.000 0.767 171 E HN 0.576 nan 8.360 nan 0.000 0.461 172 T N 1.286 115.788 114.554 -0.086 0.000 2.536 172 T HA -0.326 4.024 4.350 0.000 0.000 0.263 172 T C 1.900 176.534 174.700 -0.110 0.000 1.115 172 T CA 2.677 64.638 62.100 -0.232 0.000 1.180 172 T CB -0.739 67.755 68.868 -0.622 0.000 0.864 172 T HN 0.504 nan 8.240 nan 0.000 0.419 173 R N 1.638 122.055 120.500 -0.138 0.000 2.105 173 R HA -0.094 4.246 4.340 0.000 0.000 0.239 173 R C 2.085 178.429 176.300 0.074 0.000 1.135 173 R CA 1.846 57.921 56.100 -0.042 0.000 0.967 173 R CB -0.601 29.679 30.300 -0.033 0.000 0.861 173 R HN 0.258 nan 8.270 nan 0.000 0.442 174 N N 0.289 119.059 118.700 0.118 0.000 2.166 174 N HA -0.094 4.646 4.740 0.000 0.000 0.186 174 N C 1.506 177.105 175.510 0.148 0.000 1.019 174 N CA 1.973 55.150 53.050 0.212 0.000 0.856 174 N CB -0.462 38.179 38.487 0.257 0.000 0.993 174 N HN 0.328 nan 8.380 nan 0.000 0.426 175 T N 0.965 115.596 114.554 0.128 0.000 2.701 175 T HA -0.094 4.256 4.350 0.000 0.000 0.263 175 T C 1.534 176.260 174.700 0.042 0.000 1.040 175 T CA 0.726 62.912 62.100 0.143 0.000 1.147 175 T CB -0.510 68.488 68.868 0.217 0.000 0.865 175 T HN 0.186 nan 8.240 nan 0.000 0.426 176 F N 2.374 122.197 119.950 -0.211 0.000 2.034 176 F HA -0.245 4.282 4.527 0.000 0.000 0.298 176 F C 1.996 177.413 175.800 -0.638 0.000 1.193 176 F CA 1.178 58.642 58.000 -0.892 0.000 1.208 176 F CB -1.043 37.492 39.000 -0.775 0.000 0.945 176 F HN 0.078 nan 8.300 nan 0.000 0.521 177 I N 0.402 120.573 120.570 -0.665 0.000 2.195 177 I HA -0.515 3.655 4.170 0.000 0.000 0.232 177 I C 2.668 178.398 176.117 -0.645 0.000 0.986 177 I CA 2.434 63.266 61.300 -0.781 0.000 1.283 177 I CB -1.280 36.279 38.000 -0.736 0.000 0.990 177 I HN 0.498 nan 8.210 nan 0.000 0.390 178 Q N 1.008 120.523 119.800 -0.475 0.000 2.224 178 Q HA -0.263 4.077 4.340 0.000 0.000 0.213 178 Q C 1.720 177.599 176.000 -0.201 0.000 0.998 178 Q CA 3.141 58.860 55.803 -0.141 0.000 0.895 178 Q CB -1.470 27.365 28.738 0.161 0.000 0.926 178 Q HN 0.506 nan 8.270 nan 0.000 0.417 179 T N 1.321 115.676 114.554 -0.330 0.000 2.684 179 T HA -0.063 4.287 4.350 0.000 0.000 0.267 179 T C 1.627 176.068 174.700 -0.431 0.000 1.036 179 T CA 1.673 63.556 62.100 -0.360 0.000 1.148 179 T CB -0.291 68.263 68.868 -0.524 0.000 0.863 179 T HN 0.330 nan 8.240 nan 0.000 0.436 180 L N 1.067 121.918 121.223 -0.619 0.000 2.376 180 L HA 0.029 4.369 4.340 0.000 0.000 0.219 180 L C 2.116 178.881 176.870 -0.175 0.000 1.133 180 L CA 0.884 55.469 54.840 -0.425 0.000 0.816 180 L CB -0.637 41.115 42.059 -0.511 0.000 0.933 180 L HN 0.348 nan 8.230 nan 0.000 0.449 181 N N 0.380 118.972 118.700 -0.181 0.000 2.424 181 N HA -0.014 4.726 4.740 0.000 0.000 0.178 181 N C 0.188 175.638 175.510 -0.100 0.000 1.060 181 N CA 0.399 53.376 53.050 -0.122 0.000 0.901 181 N CB 0.246 38.689 38.487 -0.073 0.000 0.979 181 N HN 0.378 nan 8.380 nan 0.000 0.451 182 N N 1.075 119.717 118.700 -0.098 0.000 2.598 182 N HA 0.261 5.001 4.740 0.000 0.000 0.309 182 N C -0.695 174.777 175.510 -0.063 0.000 1.645 182 N CA -0.022 52.986 53.050 -0.070 0.000 0.936 182 N CB 0.763 39.227 38.487 -0.038 0.000 1.323 182 N HN 0.146 nan 8.380 nan 0.000 0.497 183 I N 1.480 122.019 120.570 -0.052 0.000 2.268 183 I HA 0.035 4.205 4.170 0.000 0.000 0.290 183 I C 1.603 177.724 176.117 0.007 0.000 1.125 183 I CA -0.257 61.044 61.300 0.001 0.000 1.236 183 I CB 0.099 38.139 38.000 0.066 0.000 1.469 183 I HN 0.118 nan 8.210 nan 0.000 0.512 184 T N 2.524 117.053 114.554 -0.042 0.000 2.442 184 T HA -0.330 4.020 4.350 0.000 0.000 0.237 184 T C 0.758 175.451 174.700 -0.012 0.000 1.361 184 T CA 1.756 63.815 62.100 -0.068 0.000 1.127 184 T CB -0.704 68.102 68.868 -0.103 0.000 0.845 184 T HN 0.584 nan 8.240 nan 0.000 0.433 185 N N 1.333 120.034 118.700 0.001 0.000 2.898 185 N HA 0.285 5.025 4.740 0.000 0.000 0.245 185 N C 0.837 176.333 175.510 -0.023 0.000 1.185 185 N CA -0.463 52.597 53.050 0.016 0.000 0.879 185 N CB 0.620 39.083 38.487 -0.041 0.000 1.157 185 N HN 0.617 nan 8.380 nan 0.000 0.503 186 W N 2.509 123.791 121.300 -0.029 0.000 2.341 186 W HA -0.170 4.490 4.660 0.000 0.000 0.283 186 W C 0.710 177.224 176.519 -0.009 0.000 1.215 186 W CA 0.569 57.896 57.345 -0.030 0.000 1.211 186 W CB -0.330 29.099 29.460 -0.052 0.000 1.131 186 W HN 0.373 nan 8.180 nan 0.000 0.552 187 R N 0.920 120.713 120.500 -1.178 0.000 2.105 187 R HA -0.147 4.193 4.340 0.000 0.000 0.239 187 R C 1.550 177.563 176.300 -0.478 0.000 1.135 187 R CA 1.666 57.142 56.100 -1.041 0.000 0.967 187 R CB -1.024 28.895 30.300 -0.634 0.000 0.861 187 R HN 0.197 nan 8.270 nan 0.000 0.442 188 D N 0.572 120.783 120.400 -0.314 0.000 2.389 188 D HA -0.120 4.520 4.640 0.000 0.000 0.221 188 D C 1.454 177.635 176.300 -0.198 0.000 0.974 188 D CA 0.760 54.637 54.000 -0.206 0.000 0.923 188 D CB 0.172 40.879 40.800 -0.157 0.000 0.892 188 D HN 0.213 nan 8.370 nan 0.000 0.518 189 L N -0.712 120.368 121.223 -0.238 0.000 2.731 189 L HA 0.184 4.524 4.340 0.000 0.000 0.240 189 L C 2.211 178.891 176.870 -0.317 0.000 1.120 189 L CA -0.021 54.695 54.840 -0.208 0.000 0.913 189 L CB 0.429 42.449 42.059 -0.065 0.000 1.213 189 L HN -0.057 nan 8.230 nan 0.000 0.515 190 G N -0.258 108.279 108.800 -0.438 0.000 2.517 190 G HA2 -0.300 3.660 3.960 0.000 0.000 0.222 190 G HA3 -0.300 3.660 3.960 0.000 0.000 0.222 190 G C 1.331 175.944 174.900 -0.479 0.000 1.109 190 G CA 1.527 46.252 45.100 -0.626 0.000 0.746 190 G HN 0.299 nan 8.290 nan 0.000 0.576 191 T N 0.743 115.096 114.554 -0.336 0.000 2.996 191 T HA 0.133 4.483 4.350 0.000 0.000 0.271 191 T C 2.124 176.580 174.700 -0.405 0.000 1.126 191 T CA 1.512 63.439 62.100 -0.288 0.000 1.103 191 T CB -0.475 68.267 68.868 -0.210 0.000 0.870 191 T HN 1.094 nan 8.240 nan 0.000 0.528 192 G N 2.034 110.482 108.800 -0.586 0.000 2.186 192 G HA2 -0.342 3.618 3.960 0.000 0.000 0.266 192 G HA3 -0.342 3.618 3.960 0.000 0.000 0.266 192 G C 0.157 174.587 174.900 -0.784 0.000 0.982 192 G CA 0.561 45.046 45.100 -1.025 0.000 0.670 192 G HN 0.766 nan 8.290 nan 0.000 0.533 193 Q N -0.962 118.557 119.800 -0.468 0.000 2.414 193 Q HA 0.196 4.536 4.340 0.000 0.000 0.288 193 Q C 0.101 175.921 176.000 -0.300 0.000 1.086 193 Q CA -0.102 55.516 55.803 -0.310 0.000 0.943 193 Q CB 0.570 29.201 28.738 -0.178 0.000 1.282 193 Q HN 0.502 nan 8.270 nan 0.000 0.438 194 W N 0.251 121.511 121.300 -0.067 0.000 2.202 194 W HA 0.444 5.104 4.660 -0.000 0.000 0.332 194 W C -0.176 176.331 176.519 -0.021 0.000 1.263 194 W CA -0.414 56.926 57.345 -0.009 0.000 1.223 194 W CB 1.132 30.615 29.460 0.038 0.000 1.128 194 W HN 0.744 nan 8.180 nan 0.000 0.573 195 A N 2.862 125.880 122.820 0.330 0.000 2.381 195 A HA 0.297 4.617 4.320 0.000 0.000 0.299 195 A C -1.105 176.656 177.584 0.295 0.000 1.049 195 A CA -0.781 51.347 52.037 0.152 0.000 0.715 195 A CB 1.501 20.361 19.000 -0.235 0.000 1.222 195 A HN 0.608 nan 8.150 nan 0.000 0.428 196 Q N 2.575 122.417 119.800 0.070 0.000 2.361 196 Q HA 0.361 4.701 4.340 0.000 0.000 0.250 196 Q C -0.200 175.783 176.000 -0.029 0.000 1.023 196 Q CA -0.328 55.233 55.803 -0.402 0.000 0.915 196 Q CB 0.082 28.427 28.738 -0.655 0.000 1.238 196 Q HN 0.813 nan 8.270 nan 0.000 0.451 197 F N 2.099 122.097 119.950 0.079 0.000 2.619 197 F HA 0.553 5.080 4.527 0.000 0.000 0.293 197 F C 0.096 175.933 175.800 0.061 0.000 1.119 197 F CA -0.259 57.819 58.000 0.131 0.000 1.445 197 F CB 0.451 39.577 39.000 0.211 0.000 1.119 197 F HN 0.343 nan 8.300 nan 0.000 0.573 198 A N 0.983 123.458 122.820 -0.575 0.000 2.486 198 A HA 0.563 4.883 4.320 0.000 0.000 0.300 198 A C -1.809 175.638 177.584 -0.227 0.000 1.048 198 A CA -1.777 50.061 52.037 -0.331 0.000 0.696 198 A CB 0.707 19.442 19.000 -0.440 0.000 1.278 198 A HN -0.089 nan 8.150 nan 0.000 0.405 199 P HA -0.294 nan 4.420 nan 0.000 0.229 199 P C 1.141 178.423 177.300 -0.031 0.000 1.147 199 P CA 2.969 66.051 63.100 -0.029 0.000 0.949 199 P CB 0.106 31.830 31.700 0.041 0.000 0.786 200 G N -3.891 104.949 108.800 0.067 0.000 3.192 200 G HA2 0.219 4.179 3.960 0.000 0.000 0.239 200 G HA3 0.219 4.179 3.960 0.000 0.000 0.239 200 G C -0.527 174.293 174.900 -0.133 0.000 1.084 200 G CA -0.258 44.839 45.100 -0.004 0.000 0.784 200 G HN 0.143 nan 8.290 nan 0.000 0.540 201 W N 0.212 121.267 121.300 -0.409 0.000 2.551 201 W HA 0.774 5.434 4.660 -0.000 0.000 0.330 201 W C -0.744 175.281 176.519 -0.823 0.000 1.063 201 W CA -1.082 55.941 57.345 -0.536 0.000 1.222 201 W CB 0.891 29.798 29.460 -0.922 0.000 1.349 201 W HN -0.091 nan 8.180 nan 0.000 0.536 202 Y N 1.031 121.353 120.300 0.036 0.000 2.634 202 Y HA 0.606 5.156 4.550 0.000 0.000 0.340 202 Y C -0.166 176.329 175.900 0.992 0.000 1.058 202 Y CA -2.055 56.270 58.100 0.375 0.000 1.081 202 Y CB 1.411 39.846 38.460 -0.042 0.000 1.295 202 Y HN 0.483 nan 8.280 nan 0.000 0.487 203 Y N -1.790 119.172 120.300 1.103 0.000 2.840 203 Y HA 0.889 5.439 4.550 0.000 0.000 0.324 203 Y C -1.253 175.112 175.900 0.776 0.000 1.378 203 Y CA -1.303 57.388 58.100 0.984 0.000 1.077 203 Y CB 1.715 40.630 38.460 0.759 0.000 1.361 203 Y HN 0.614 nan 8.280 nan 0.000 0.459 204 S N 0.111 115.928 115.700 0.195 0.000 2.686 204 S HA 0.601 5.071 4.470 0.000 0.000 0.273 204 S C -1.937 172.568 174.600 -0.158 0.000 1.060 204 S CA -0.945 57.081 58.200 -0.290 0.000 0.845 204 S CB 0.776 63.623 63.200 -0.587 0.000 1.086 204 S HN 0.821 nan 8.310 nan 0.000 0.461 205 I N 1.847 122.119 120.570 -0.498 0.000 2.439 205 I HA 0.427 4.597 4.170 0.000 0.000 0.285 205 I C -1.527 174.088 176.117 -0.838 0.000 1.021 205 I CA -0.632 60.436 61.300 -0.387 0.000 1.091 205 I CB 1.173 39.148 38.000 -0.042 0.000 1.242 205 I HN 0.618 nan 8.210 nan 0.000 0.439 206 Y N 5.278 125.305 120.300 -0.455 0.000 2.334 206 Y HA 0.646 5.196 4.550 0.000 0.000 0.328 206 Y C 0.242 175.837 175.900 -0.508 0.000 1.130 206 Y CA -0.911 56.840 58.100 -0.582 0.000 1.163 206 Y CB 1.235 39.115 38.460 -0.967 0.000 1.207 206 Y HN 0.177 nan 8.280 nan 0.000 0.471 207 V N 3.194 122.905 119.914 -0.338 0.000 3.046 207 V HA 0.363 4.483 4.120 0.000 0.000 0.316 207 V C -0.299 175.676 176.094 -0.200 0.000 1.104 207 V CA -1.353 60.774 62.300 -0.288 0.000 1.006 207 V CB 2.328 33.856 31.823 -0.492 0.000 1.058 207 V HN 0.562 nan 8.190 nan 0.000 0.440 208 L N 5.239 126.369 121.223 -0.154 0.000 2.385 208 L HA 0.210 4.550 4.340 0.000 0.000 0.285 208 L C -1.078 175.732 176.870 -0.099 0.000 1.125 208 L CA -1.241 53.526 54.840 -0.122 0.000 0.890 208 L CB 0.563 42.533 42.059 -0.147 0.000 1.251 208 L HN 0.550 nan 8.230 nan 0.000 0.445 209 P HA -0.289 nan 4.420 nan 0.000 0.207 209 P C 0.770 178.078 177.300 0.014 0.000 0.954 209 P CA 1.921 65.024 63.100 0.005 0.000 0.990 209 P CB 0.058 31.748 31.700 -0.017 0.000 0.721 210 N N -0.877 117.817 118.700 -0.010 0.000 2.238 210 N HA -0.219 4.521 4.740 0.000 0.000 0.200 210 N C 1.788 177.266 175.510 -0.053 0.000 0.968 210 N CA 2.833 55.877 53.050 -0.009 0.000 0.922 210 N CB -1.557 36.944 38.487 0.022 0.000 1.059 210 N HN 0.337 nan 8.380 nan 0.000 0.551 211 T N -0.834 113.620 114.554 -0.167 0.000 2.732 211 T HA -0.115 4.235 4.350 0.000 0.000 0.261 211 T C 1.550 176.106 174.700 -0.240 0.000 1.040 211 T CA 0.980 62.832 62.100 -0.414 0.000 1.145 211 T CB -0.569 67.722 68.868 -0.961 0.000 0.866 211 T HN 0.310 nan 8.240 nan 0.000 0.427 212 Y N 2.440 122.581 120.300 -0.265 0.000 2.207 212 Y HA -0.111 4.439 4.550 0.000 0.000 0.287 212 Y C 2.483 178.317 175.900 -0.110 0.000 1.156 212 Y CA 0.845 58.863 58.100 -0.136 0.000 1.182 212 Y CB -0.851 37.546 38.460 -0.104 0.000 0.979 212 Y HN 0.189 nan 8.280 nan 0.000 0.521 213 A N 0.948 123.734 122.820 -0.056 0.000 1.903 213 A HA -0.228 4.092 4.320 0.000 0.000 0.219 213 A C 1.530 179.031 177.584 -0.138 0.000 1.191 213 A CA 1.728 53.700 52.037 -0.107 0.000 0.638 213 A CB -1.116 17.864 19.000 -0.034 0.000 0.823 213 A HN 0.498 nan 8.150 nan 0.000 0.451 214 M N 1.294 120.837 119.600 -0.094 0.000 2.921 214 M HA 0.232 4.712 4.480 0.000 0.000 0.319 214 M C 0.500 176.741 176.300 -0.098 0.000 1.710 214 M CA -0.005 55.261 55.300 -0.057 0.000 1.471 214 M CB -0.491 32.104 32.600 -0.009 0.000 1.832 214 M HN 0.372 nan 8.290 nan 0.000 0.467 215 A N 2.679 125.428 122.820 -0.119 0.000 2.583 215 A HA -0.067 4.253 4.320 0.000 0.000 0.249 215 A C 1.334 178.871 177.584 -0.079 0.000 1.035 215 A CA 0.132 52.084 52.037 -0.142 0.000 0.777 215 A CB -0.046 18.886 19.000 -0.115 0.000 0.942 215 A HN 0.903 nan 8.150 nan 0.000 0.516 216 E N 2.536 122.694 120.200 -0.069 0.000 2.110 216 E HA -0.271 4.079 4.350 0.000 0.000 0.225 216 E C 1.225 177.823 176.600 -0.002 0.000 1.063 216 E CA 2.888 59.291 56.400 0.006 0.000 0.906 216 E CB -0.280 29.457 29.700 0.062 0.000 0.795 216 E HN 0.770 nan 8.360 nan 0.000 0.479 217 I N -0.255 120.310 120.570 -0.010 0.000 3.419 217 I HA 0.157 4.327 4.170 0.000 0.000 0.286 217 I C 1.318 177.423 176.117 -0.020 0.000 1.268 217 I CA 0.124 61.418 61.300 -0.011 0.000 1.414 217 I CB -0.729 37.266 38.000 -0.009 0.000 1.074 217 I HN 0.343 nan 8.210 nan 0.000 0.457 218 G N 2.705 111.485 108.800 -0.033 0.000 3.032 218 G HA2 -0.292 3.668 3.960 0.000 0.000 0.348 218 G HA3 -0.292 3.668 3.960 0.000 0.000 0.348 218 G C 0.440 175.323 174.900 -0.029 0.000 1.541 218 G CA 0.341 45.420 45.100 -0.035 0.000 1.020 218 G HN 0.500 nan 8.290 nan 0.000 0.562 219 D N -0.583 119.801 120.400 -0.028 0.000 2.369 219 D HA -0.029 4.611 4.640 0.000 0.000 0.231 219 D C 2.023 178.315 176.300 -0.013 0.000 0.967 219 D CA 0.666 54.652 54.000 -0.022 0.000 0.905 219 D CB -0.056 40.728 40.800 -0.025 0.000 1.044 219 D HN 0.437 nan 8.370 nan 0.000 0.487 220 R N 0.426 120.922 120.500 -0.007 0.000 2.276 220 R HA 0.024 4.364 4.340 0.000 0.000 0.196 220 R C 0.602 176.906 176.300 0.006 0.000 0.961 220 R CA 0.485 56.586 56.100 0.002 0.000 1.024 220 R CB -0.930 29.377 30.300 0.012 0.000 0.940 220 R HN 0.277 nan 8.270 nan 0.000 0.480 221 T N 2.619 117.174 114.554 0.001 0.000 3.287 221 T HA -0.148 4.202 4.350 0.000 0.000 0.428 221 T C -0.575 174.135 174.700 0.017 0.000 0.770 221 T CA 0.300 62.401 62.100 0.003 0.000 2.165 221 T CB -1.281 67.585 68.868 -0.004 0.000 1.677 221 T HN 0.233 nan 8.240 nan 0.000 0.633 222 D N 2.264 122.683 120.400 0.032 0.000 2.308 222 D HA 0.386 5.026 4.640 0.000 0.000 0.251 222 D C 0.058 176.390 176.300 0.053 0.000 1.127 222 D CA 0.122 54.157 54.000 0.059 0.000 0.876 222 D CB 1.670 42.527 40.800 0.094 0.000 1.176 222 D HN 0.411 nan 8.370 nan 0.000 0.446 223 S N 1.771 117.501 115.700 0.051 0.000 2.605 223 S HA 0.364 4.834 4.470 0.000 0.000 0.308 223 S C -0.770 173.852 174.600 0.036 0.000 1.113 223 S CA -0.741 57.473 58.200 0.023 0.000 1.049 223 S CB 1.014 64.212 63.200 -0.003 0.000 1.001 223 S HN 0.133 nan 8.310 nan 0.000 0.480 224 V N 6.061 125.975 119.914 0.001 0.000 2.364 224 V HA 0.260 4.380 4.120 0.000 0.000 0.272 224 V C 1.333 177.385 176.094 -0.071 0.000 1.036 224 V CA -0.212 62.085 62.300 -0.005 0.000 0.880 224 V CB 0.980 32.758 31.823 -0.076 0.000 0.991 224 V HN 1.053 nan 8.190 nan 0.000 0.460 225 T N 4.426 118.981 114.554 0.001 0.000 2.508 225 T HA -0.105 4.245 4.350 0.000 0.000 0.249 225 T C 0.582 175.270 174.700 -0.021 0.000 1.173 225 T CA 1.263 63.356 62.100 -0.012 0.000 1.275 225 T CB -0.079 68.805 68.868 0.027 0.000 0.883 225 T HN 0.855 nan 8.240 nan 0.000 0.394 226 Q N 0.501 120.318 119.800 0.028 0.000 2.351 226 Q HA 0.668 5.008 4.340 0.000 0.000 0.273 226 Q C -0.773 175.336 176.000 0.181 0.000 1.077 226 Q CA -1.072 54.777 55.803 0.077 0.000 0.843 226 Q CB 1.878 30.634 28.738 0.029 0.000 1.367 226 Q HN 0.618 nan 8.270 nan 0.000 0.449 227 F N -1.391 118.523 119.950 -0.059 0.000 2.922 227 F HA 0.816 5.343 4.527 0.000 0.000 0.345 227 F C -1.555 174.304 175.800 0.098 0.000 1.209 227 F CA -1.486 56.558 58.000 0.073 0.000 1.018 227 F CB 1.711 40.722 39.000 0.019 0.000 1.472 227 F HN 0.793 nan 8.300 nan 0.000 0.521 228 R N 0.798 121.151 120.500 -0.245 0.000 3.070 228 R HA 0.282 4.622 4.340 0.000 0.000 0.249 228 R C -2.143 174.159 176.300 0.004 0.000 1.124 228 R CA -1.057 54.814 56.100 -0.382 0.000 1.111 228 R CB 0.943 31.195 30.300 -0.079 0.000 1.268 228 R HN 0.417 nan 8.270 nan 0.000 0.466 229 K N 2.598 122.901 120.400 -0.161 0.000 2.416 229 K HA 0.103 4.423 4.320 0.000 0.000 0.283 229 K C 0.700 177.177 176.600 -0.204 0.000 1.037 229 K CA -0.170 55.999 56.287 -0.196 0.000 0.995 229 K CB 1.547 33.664 32.500 -0.638 0.000 0.938 229 K HN 0.544 nan 8.250 nan 0.000 0.475 230 V N 3.473 123.442 119.914 0.093 0.000 3.174 230 V HA -0.017 4.103 4.120 0.000 0.000 0.254 230 V C -0.306 176.300 176.094 0.853 0.000 1.120 230 V CA 0.474 63.062 62.300 0.480 0.000 1.114 230 V CB -0.809 31.326 31.823 0.521 0.000 0.756 230 V HN 0.787 nan 8.190 nan 0.000 0.467 231 Y N -2.916 117.662 120.300 0.463 0.000 2.232 231 Y HA 0.535 5.085 4.550 0.000 0.000 0.316 231 Y C -0.142 175.981 175.900 0.372 0.000 1.345 231 Y CA -1.505 56.968 58.100 0.621 0.000 1.315 231 Y CB 0.157 38.898 38.460 0.469 0.000 1.295 231 Y HN -0.187 nan 8.280 nan 0.000 0.412 232 K N 3.200 123.888 120.400 0.480 0.000 2.049 232 K HA 0.582 4.902 4.320 0.000 0.000 0.214 232 K C 0.884 177.608 176.600 0.207 0.000 1.026 232 K CA 1.420 57.794 56.287 0.145 0.000 0.954 232 K CB -0.677 31.693 32.500 -0.216 0.000 0.838 232 K HN 1.632 nan 8.250 nan 0.000 0.450 233 G N 1.742 110.673 108.800 0.219 0.000 2.912 233 G HA2 -0.185 3.775 3.960 0.000 0.000 0.246 233 G HA3 -0.185 3.775 3.960 0.000 0.000 0.246 233 G C -0.215 174.846 174.900 0.268 0.000 0.352 233 G CA 0.727 46.014 45.100 0.312 0.000 1.051 233 G HN 0.742 nan 8.290 nan 0.000 0.501 234 I N 0.107 120.792 120.570 0.192 0.000 2.827 234 I HA 0.911 5.081 4.170 0.000 0.000 0.298 234 I C -0.073 175.950 176.117 -0.157 0.000 1.235 234 I CA -0.566 60.688 61.300 -0.076 0.000 1.021 234 I CB 2.751 40.531 38.000 -0.367 0.000 1.259 234 I HN 0.801 nan 8.210 nan 0.000 0.427 235 T N 1.387 115.742 114.554 -0.332 0.000 2.855 235 T HA 0.615 4.965 4.350 0.000 0.000 0.281 235 T C -0.759 173.599 174.700 -0.571 0.000 1.007 235 T CA -0.407 61.506 62.100 -0.311 0.000 1.009 235 T CB 1.226 69.891 68.868 -0.338 0.000 0.983 235 T HN 0.449 nan 8.240 nan 0.000 0.455 236 F N 1.427 121.203 119.950 -0.290 0.000 2.550 236 F HA 0.327 4.854 4.527 -0.000 0.000 0.312 236 F C 0.886 176.512 175.800 -0.290 0.000 1.256 236 F CA -1.008 56.740 58.000 -0.420 0.000 1.182 236 F CB 0.002 38.684 39.000 -0.531 0.000 1.383 236 F HN 0.637 nan 8.300 nan 0.000 0.541 237 E N 0.930 121.071 120.200 -0.099 0.000 2.760 237 E HA -0.208 4.142 4.350 0.000 0.000 0.268 237 E C -0.363 176.259 176.600 0.035 0.000 0.935 237 E CA 0.413 56.797 56.400 -0.026 0.000 0.960 237 E CB 0.448 30.112 29.700 -0.059 0.000 0.931 237 E HN 0.341 nan 8.360 nan 0.000 0.483 238 F N 4.840 124.766 119.950 -0.040 0.000 2.541 238 F HA 0.049 4.576 4.527 0.000 0.000 0.351 238 F C 0.559 176.372 175.800 0.021 0.000 1.209 238 F CA -0.705 57.295 58.000 -0.000 0.000 1.277 238 F CB -0.236 38.827 39.000 0.106 0.000 1.632 238 F HN 0.324 nan 8.300 nan 0.000 0.619 239 N N 4.245 122.816 118.700 -0.215 0.000 2.454 239 N HA 0.226 4.966 4.740 0.000 0.000 0.285 239 N C -1.124 174.176 175.510 -0.349 0.000 1.233 239 N CA 0.330 53.257 53.050 -0.206 0.000 1.036 239 N CB 0.075 38.490 38.487 -0.118 0.000 1.423 239 N HN 0.554 nan 8.380 nan 0.000 0.495 240 A N 4.317 126.915 122.820 -0.370 0.000 2.459 240 A HA 0.466 4.786 4.320 0.000 0.000 0.296 240 A C -2.645 174.878 177.584 -0.102 0.000 1.039 240 A CA -1.179 50.658 52.037 -0.334 0.000 0.698 240 A CB 1.472 20.051 19.000 -0.702 0.000 1.261 240 A HN 0.506 nan 8.150 nan 0.000 0.405 241 P HA 0.109 nan 4.420 nan 0.000 0.267 241 P C 0.865 178.191 177.300 0.043 0.000 1.209 241 P CA 0.279 63.380 63.100 0.001 0.000 0.763 241 P CB 0.678 32.376 31.700 -0.004 0.000 0.816 242 T N 2.635 117.225 114.554 0.059 0.000 2.795 242 T HA -0.234 4.116 4.350 0.000 0.000 0.266 242 T C 1.659 176.407 174.700 0.080 0.000 1.056 242 T CA 1.504 63.654 62.100 0.084 0.000 1.141 242 T CB -0.456 68.453 68.868 0.068 0.000 0.840 242 T HN 0.335 nan 8.240 nan 0.000 0.493 243 L N 1.667 122.925 121.223 0.059 0.000 1.971 243 L HA 0.017 4.357 4.340 0.000 0.000 0.215 243 L C 1.050 177.965 176.870 0.075 0.000 1.072 243 L CA 1.736 56.609 54.840 0.055 0.000 0.758 243 L CB -0.479 41.602 42.059 0.038 0.000 0.889 243 L HN 0.520 nan 8.230 nan 0.000 0.433 244 I N -2.339 118.280 120.570 0.081 0.000 2.621 244 I HA 0.361 4.531 4.170 0.000 0.000 0.276 244 I C -0.650 175.568 176.117 0.169 0.000 1.118 244 I CA -0.427 60.941 61.300 0.113 0.000 1.159 244 I CB 0.324 38.377 38.000 0.089 0.000 1.357 244 I HN 0.092 nan 8.210 nan 0.000 0.513 245 D N 1.955 122.504 120.400 0.248 0.000 2.369 245 D HA -0.009 4.631 4.640 0.000 0.000 0.211 245 D C 0.191 176.797 176.300 0.510 0.000 1.077 245 D CA -0.191 54.093 54.000 0.473 0.000 0.842 245 D CB 0.083 41.140 40.800 0.427 0.000 0.947 245 D HN 0.528 nan 8.370 nan 0.000 0.509 246 Q N 1.363 121.361 119.800 0.331 0.000 2.557 246 Q HA 0.393 4.733 4.340 0.000 0.000 0.316 246 Q C 0.489 176.705 176.000 0.360 0.000 1.130 246 Q CA 0.421 56.389 55.803 0.274 0.000 1.065 246 Q CB -0.236 28.626 28.738 0.206 0.000 1.014 246 Q HN 0.260 nan 8.270 nan 0.000 0.397 247 G N 1.333 110.296 108.800 0.271 0.000 2.616 247 G HA2 0.486 4.446 3.960 0.000 0.000 0.294 247 G HA3 0.486 4.446 3.960 0.000 0.000 0.294 247 G C -2.379 172.637 174.900 0.192 0.000 1.489 247 G CA -1.038 44.200 45.100 0.230 0.000 0.836 247 G HN 0.578 nan 8.290 nan 0.000 0.527 248 W N 2.451 123.791 121.300 0.067 0.000 3.363 248 W HA 0.767 5.426 4.660 -0.000 0.000 0.306 248 W C -1.552 175.020 176.519 0.088 0.000 1.253 248 W CA -1.141 56.222 57.345 0.029 0.000 1.195 248 W CB 1.248 30.696 29.460 -0.020 0.000 1.366 248 W HN 0.840 nan 8.180 nan 0.000 0.551 249 W N 3.941 124.360 121.300 -1.469 0.000 3.179 249 W HA 0.854 5.514 4.660 0.000 0.000 0.372 249 W C -2.062 173.437 176.519 -1.701 0.000 1.137 249 W CA -1.053 55.342 57.345 -1.583 0.000 1.100 249 W CB 0.470 28.959 29.460 -1.618 0.000 1.503 249 W HN 0.761 nan 8.180 nan 0.000 0.601 250 V N 1.284 120.733 119.914 -0.775 0.000 2.859 250 V HA 0.537 4.657 4.120 0.000 0.000 0.276 250 V C -0.495 175.553 176.094 -0.075 0.000 1.496 250 V CA 0.395 62.348 62.300 -0.578 0.000 0.929 250 V CB 0.964 32.459 31.823 -0.547 0.000 1.147 250 V HN 1.205 nan 8.190 nan 0.000 0.449 251 G N 3.954 112.816 108.800 0.104 0.000 2.601 251 G HA2 1.096 5.056 3.960 0.000 0.000 0.317 251 G HA3 1.096 5.056 3.960 0.000 0.000 0.317 251 G C -0.325 174.585 174.900 0.017 0.000 1.246 251 G CA -0.339 44.796 45.100 0.059 0.000 1.012 251 G HN 2.169 nan 8.290 nan 0.000 0.494 252 A N -0.376 122.386 122.820 -0.097 0.000 2.599 252 A HA 0.485 4.805 4.320 0.000 0.000 0.306 252 A C -1.238 176.244 177.584 -0.169 0.000 1.014 252 A CA -0.746 51.267 52.037 -0.040 0.000 0.784 252 A CB 0.227 19.285 19.000 0.096 0.000 1.229 252 A HN 0.770 nan 8.150 nan 0.000 0.398 253 H N 1.977 121.025 119.070 -0.038 0.000 2.562 253 H HA 0.527 5.083 4.556 0.000 0.000 0.314 253 H C -0.584 174.719 175.328 -0.041 0.000 1.079 253 H CA 0.305 56.295 56.048 -0.097 0.000 1.349 253 H CB 1.138 30.836 29.762 -0.106 0.000 1.432 253 H HN 0.502 nan 8.280 nan 0.000 0.479 254 I N 6.233 126.834 120.570 0.051 0.000 2.418 254 I HA 0.192 4.362 4.170 0.000 0.000 0.287 254 I C -2.234 173.935 176.117 0.087 0.000 1.008 254 I CA -2.130 59.214 61.300 0.073 0.000 1.104 254 I CB 2.728 40.775 38.000 0.078 0.000 1.264 254 I HN 0.303 nan 8.210 nan 0.000 0.438 255 P HA 0.216 nan 4.420 nan 0.000 0.275 255 P C -0.908 176.482 177.300 0.151 0.000 1.228 255 P CA -0.095 63.069 63.100 0.106 0.000 0.786 255 P CB 2.024 33.752 31.700 0.046 0.000 0.927 256 V N 3.215 123.263 119.914 0.225 0.000 2.971 256 V HA 0.459 4.579 4.120 0.000 0.000 0.309 256 V C -0.333 175.735 176.094 -0.044 0.000 1.130 256 V CA -0.631 61.735 62.300 0.110 0.000 0.964 256 V CB 2.603 34.539 31.823 0.189 0.000 1.029 256 V HN 0.528 nan 8.190 nan 0.000 0.427 257 K N 3.817 124.109 120.400 -0.180 0.000 2.501 257 K HA 0.525 4.845 4.320 0.000 0.000 0.252 257 K C -3.011 173.407 176.600 -0.304 0.000 0.934 257 K CA -1.552 54.605 56.287 -0.216 0.000 0.797 257 K CB 2.969 35.443 32.500 -0.043 0.000 1.270 257 K HN 0.413 nan 8.250 nan 0.000 0.431 258 P HA 0.168 nan 4.420 nan 0.000 0.293 258 P C -0.976 176.206 177.300 -0.197 0.000 1.300 258 P CA -0.445 62.442 63.100 -0.354 0.000 0.792 258 P CB 1.174 32.602 31.700 -0.453 0.000 0.925 259 Q N 2.543 122.240 119.800 -0.172 0.000 2.398 259 Q HA 0.202 4.542 4.340 0.000 0.000 0.251 259 Q C -0.518 175.404 176.000 -0.131 0.000 0.999 259 Q CA -0.412 55.321 55.803 -0.117 0.000 0.874 259 Q CB 0.495 29.177 28.738 -0.093 0.000 1.215 259 Q HN 0.340 nan 8.270 nan 0.000 0.470 260 S N 4.255 119.892 115.700 -0.105 0.000 3.106 260 S HA -0.035 4.435 4.470 0.000 0.000 0.304 260 S C -0.318 174.229 174.600 -0.087 0.000 1.118 260 S CA 0.405 58.546 58.200 -0.098 0.000 1.403 260 S CB -0.364 62.803 63.200 -0.054 0.000 1.555 260 S HN 0.534 nan 8.310 nan 0.000 0.584 261 E N 2.232 122.365 120.200 -0.112 0.000 2.104 261 E HA 0.058 4.408 4.350 0.000 0.000 0.278 261 E C 0.054 176.605 176.600 -0.082 0.000 1.127 261 E CA -0.033 56.310 56.400 -0.095 0.000 0.897 261 E CB 0.492 30.124 29.700 -0.113 0.000 1.043 261 E HN 0.267 nan 8.360 nan 0.000 0.410 262 T N 3.728 118.249 114.554 -0.055 0.000 2.884 262 T HA 0.212 4.562 4.350 0.000 0.000 0.298 262 T C 0.384 175.064 174.700 -0.033 0.000 0.998 262 T CA -0.235 61.842 62.100 -0.038 0.000 1.124 262 T CB 0.341 69.198 68.868 -0.017 0.000 0.931 262 T HN 0.333 nan 8.240 nan 0.000 0.531 263 I N 6.678 127.230 120.570 -0.029 0.000 2.325 263 I HA 0.246 4.416 4.170 0.000 0.000 0.291 263 I C -1.971 174.147 176.117 0.003 0.000 1.019 263 I CA -2.450 58.838 61.300 -0.020 0.000 1.302 263 I CB 1.656 39.638 38.000 -0.030 0.000 1.401 263 I HN 0.393 nan 8.210 nan 0.000 0.485 264 P HA 0.122 nan 4.420 nan 0.000 0.272 264 P C -1.059 176.261 177.300 0.033 0.000 1.230 264 P CA -0.340 62.772 63.100 0.020 0.000 0.788 264 P CB 0.730 32.441 31.700 0.018 0.000 0.949 265 A N 1.416 124.258 122.820 0.036 0.000 2.292 265 A HA 0.710 5.030 4.320 0.000 0.000 0.319 265 A C -0.274 177.336 177.584 0.044 0.000 1.206 265 A CA -0.324 51.740 52.037 0.045 0.000 0.835 265 A CB 0.360 19.385 19.000 0.042 0.000 1.164 265 A HN 0.541 nan 8.150 nan 0.000 0.505 266 A N 1.425 124.276 122.820 0.052 0.000 2.344 266 A HA 0.814 5.134 4.320 0.000 0.000 0.307 266 A C 0.397 178.011 177.584 0.049 0.000 1.151 266 A CA -0.412 51.659 52.037 0.057 0.000 0.842 266 A CB 0.781 19.826 19.000 0.075 0.000 1.350 266 A HN 0.696 nan 8.150 nan 0.000 0.459 267 E N -0.084 120.148 120.200 0.055 0.000 2.115 267 E HA 0.120 4.470 4.350 0.000 0.000 0.213 267 E C 1.967 178.577 176.600 0.017 0.000 0.936 267 E CA 0.411 56.833 56.400 0.037 0.000 0.947 267 E CB -0.390 29.334 29.700 0.040 0.000 1.169 267 E HN 0.639 nan 8.360 nan 0.000 0.497 268 R N -0.894 119.632 120.500 0.043 0.000 2.062 268 R HA 0.063 4.403 4.340 0.000 0.000 0.226 268 R C 0.046 176.224 176.300 -0.203 0.000 1.125 268 R CA 0.651 56.726 56.100 -0.042 0.000 0.966 268 R CB 0.154 30.498 30.300 0.074 0.000 0.861 268 R HN -0.019 nan 8.270 nan 0.000 0.433 269 F N 0.600 120.568 119.950 0.030 0.000 2.460 269 F HA 0.265 4.792 4.527 0.000 0.000 0.341 269 F C -0.368 175.455 175.800 0.039 0.000 1.130 269 F CA -0.745 57.277 58.000 0.037 0.000 0.962 269 F CB 2.021 41.042 39.000 0.036 0.000 1.171 269 F HN -0.069 nan 8.300 nan 0.000 0.436 270 S N 2.110 117.917 115.700 0.177 0.000 2.472 270 S HA 0.897 5.367 4.470 0.000 0.000 0.303 270 S C -0.239 174.451 174.600 0.149 0.000 1.099 270 S CA -0.959 57.324 58.200 0.138 0.000 1.077 270 S CB 1.744 65.001 63.200 0.095 0.000 1.031 270 S HN 0.768 nan 8.310 nan 0.000 0.487 271 A N 2.154 125.046 122.820 0.119 0.000 2.313 271 A HA 0.884 5.204 4.320 0.000 0.000 0.261 271 A C 0.766 178.401 177.584 0.084 0.000 1.090 271 A CA 0.103 52.201 52.037 0.102 0.000 0.807 271 A CB -0.052 18.991 19.000 0.072 0.000 1.055 271 A HN 1.690 nan 8.150 nan 0.000 0.492 272 G N -1.206 107.641 108.800 0.078 0.000 2.494 272 G HA2 0.664 4.624 3.960 0.000 0.000 0.308 272 G HA3 0.664 4.624 3.960 0.000 0.000 0.308 272 G C -0.776 174.159 174.900 0.058 0.000 1.263 272 G CA 0.315 45.451 45.100 0.061 0.000 0.840 272 G HN 1.909 nan 8.290 nan 0.000 0.479 273 S N -1.552 114.180 115.700 0.053 0.000 2.596 273 S HA 0.706 5.176 4.470 0.000 0.000 0.270 273 S C -0.862 173.782 174.600 0.074 0.000 1.155 273 S CA -0.632 57.604 58.200 0.060 0.000 0.827 273 S CB 1.910 65.137 63.200 0.045 0.000 1.130 273 S HN 1.059 nan 8.310 nan 0.000 0.467 274 M N 3.220 122.878 119.600 0.098 0.000 2.072 274 M HA 0.424 4.904 4.480 0.000 0.000 0.331 274 M C -0.396 175.990 176.300 0.144 0.000 1.004 274 M CA -0.190 55.192 55.300 0.136 0.000 0.952 274 M CB 1.148 33.857 32.600 0.181 0.000 1.511 274 M HN 1.038 nan 8.290 nan 0.000 0.422 275 T N 1.938 116.561 114.554 0.115 0.000 2.929 275 T HA 0.714 5.064 4.350 0.000 0.000 0.284 275 T C -0.631 174.137 174.700 0.114 0.000 1.014 275 T CA -0.685 61.478 62.100 0.104 0.000 1.051 275 T CB 1.555 70.453 68.868 0.049 0.000 1.028 275 T HN 0.485 nan 8.240 nan 0.000 0.485 276 V N 2.984 122.969 119.914 0.118 0.000 2.637 276 V HA 0.383 4.503 4.120 0.000 0.000 0.274 276 V C -0.047 176.123 176.094 0.126 0.000 1.004 276 V CA -0.936 61.408 62.300 0.073 0.000 0.894 276 V CB 1.349 33.166 31.823 -0.010 0.000 1.046 276 V HN 1.183 nan 8.190 nan 0.000 0.467 277 S N 3.176 118.920 115.700 0.074 0.000 2.410 277 S HA 0.845 5.315 4.470 0.000 0.000 0.304 277 S C 0.044 174.693 174.600 0.082 0.000 1.095 277 S CA -0.118 58.135 58.200 0.089 0.000 1.089 277 S CB 1.653 64.900 63.200 0.078 0.000 0.968 277 S HN 1.177 nan 8.310 nan 0.000 0.480 278 A N 3.414 126.298 122.820 0.107 0.000 2.312 278 A HA 0.894 5.214 4.320 0.000 0.000 0.328 278 A C 0.184 177.813 177.584 0.074 0.000 1.158 278 A CA -0.656 51.441 52.037 0.100 0.000 0.821 278 A CB 1.234 20.317 19.000 0.139 0.000 1.170 278 A HN 0.862 nan 8.150 nan 0.000 0.490 279 S N 0.136 115.871 115.700 0.057 0.000 2.636 279 S HA 0.383 4.853 4.470 0.000 0.000 0.268 279 S C -1.004 173.615 174.600 0.032 0.000 1.159 279 S CA -0.902 57.317 58.200 0.032 0.000 0.815 279 S CB 1.155 64.358 63.200 0.006 0.000 1.130 279 S HN 0.782 nan 8.310 nan 0.000 0.471 280 N N 0.937 119.647 118.700 0.016 0.000 2.483 280 N HA 0.584 5.324 4.740 0.000 0.000 0.269 280 N C -0.390 175.123 175.510 0.004 0.000 1.209 280 N CA -0.212 52.851 53.050 0.021 0.000 0.969 280 N CB 1.070 39.569 38.487 0.019 0.000 1.173 280 N HN 0.705 nan 8.380 nan 0.000 0.475 281 A N 0.944 123.768 122.820 0.007 0.000 2.312 281 A HA 0.464 4.784 4.320 0.000 0.000 0.326 281 A C 0.561 178.089 177.584 -0.094 0.000 1.172 281 A CA -0.831 51.191 52.037 -0.025 0.000 0.821 281 A CB 0.125 19.133 19.000 0.014 0.000 1.166 281 A HN 0.752 nan 8.150 nan 0.000 0.493 282 I N -0.709 119.718 120.570 -0.238 0.000 2.741 282 I HA 0.264 4.434 4.170 0.000 0.000 0.288 282 I C -0.348 175.426 176.117 -0.571 0.000 1.192 282 I CA 0.414 61.354 61.300 -0.600 0.000 1.426 282 I CB -0.744 36.635 38.000 -1.034 0.000 1.367 282 I HN 0.829 nan 8.210 nan 0.000 0.563 283 F N 2.111 122.080 119.950 0.031 0.000 3.018 283 F HA -0.220 4.307 4.527 0.000 0.000 0.287 283 F C 0.427 176.247 175.800 0.033 0.000 0.813 283 F CA 0.184 58.199 58.000 0.025 0.000 1.209 283 F CB -1.684 37.327 39.000 0.019 0.000 1.321 283 F HN 0.677 nan 8.300 nan 0.000 0.477 284 Q N 0.025 119.906 119.800 0.134 0.000 2.413 284 Q HA 0.375 4.715 4.340 0.000 0.000 0.276 284 Q C -2.417 173.632 176.000 0.082 0.000 1.099 284 Q CA -2.025 53.840 55.803 0.103 0.000 0.814 284 Q CB 1.926 30.713 28.738 0.081 0.000 1.379 284 Q HN -0.238 nan 8.270 nan 0.000 0.436 285 P HA -0.082 nan 4.420 nan 0.000 0.243 285 P C 0.249 177.584 177.300 0.059 0.000 1.134 285 P CA 0.584 63.722 63.100 0.064 0.000 1.109 285 P CB -0.164 31.573 31.700 0.061 0.000 1.140 286 S N 1.653 117.385 115.700 0.054 0.000 2.845 286 S HA -0.132 4.338 4.470 0.000 0.000 0.246 286 S C 1.011 175.638 174.600 0.045 0.000 0.987 286 S CA 0.652 58.880 58.200 0.047 0.000 1.012 286 S CB -1.012 62.213 63.200 0.043 0.000 0.793 286 S HN 0.606 nan 8.310 nan 0.000 0.544 287 N N -2.008 116.721 118.700 0.048 0.000 1.848 287 N HA -0.068 4.672 4.740 0.000 0.000 0.236 287 N C 0.324 175.863 175.510 0.047 0.000 1.427 287 N CA 0.562 53.639 53.050 0.045 0.000 0.732 287 N CB -0.548 37.962 38.487 0.037 0.000 1.067 287 N HN 0.322 nan 8.380 nan 0.000 0.540 288 T N 0.217 114.802 114.554 0.052 0.000 3.034 288 T HA 0.337 4.687 4.350 0.000 0.000 0.248 288 T C 0.450 175.191 174.700 0.068 0.000 1.040 288 T CA 0.469 62.601 62.100 0.052 0.000 1.107 288 T CB 0.976 69.873 68.868 0.047 0.000 0.932 288 T HN 0.007 nan 8.240 nan 0.000 0.474 289 V N 1.348 121.309 119.914 0.079 0.000 2.623 289 V HA 0.825 4.945 4.120 0.000 0.000 0.304 289 V C -1.018 175.138 176.094 0.104 0.000 1.054 289 V CA -1.149 61.214 62.300 0.103 0.000 0.882 289 V CB 1.565 33.452 31.823 0.106 0.000 1.002 289 V HN 0.461 nan 8.190 nan 0.000 0.424 290 A N 4.666 127.564 122.820 0.130 0.000 2.435 290 A HA 0.951 5.271 4.320 0.000 0.000 0.304 290 A C -0.581 177.078 177.584 0.126 0.000 1.064 290 A CA -0.894 51.211 52.037 0.114 0.000 0.727 290 A CB 1.806 20.872 19.000 0.110 0.000 1.284 290 A HN 0.996 nan 8.150 nan 0.000 0.415 291 R N 1.715 122.262 120.500 0.079 0.000 2.460 291 R HA 0.746 5.086 4.340 0.000 0.000 0.303 291 R C -0.488 175.826 176.300 0.024 0.000 0.968 291 R CA -0.455 55.670 56.100 0.043 0.000 0.889 291 R CB 1.196 31.507 30.300 0.019 0.000 1.123 291 R HN 0.836 nan 8.270 nan 0.000 0.455 292 I N 0.461 121.012 120.570 -0.031 0.000 3.002 292 I HA 0.513 4.683 4.170 0.000 0.000 0.310 292 I C -1.249 174.796 176.117 -0.120 0.000 1.087 292 I CA -1.364 59.912 61.300 -0.040 0.000 1.017 292 I CB 2.207 40.197 38.000 -0.017 0.000 1.226 292 I HN 0.489 nan 8.210 nan 0.000 0.443 293 V N 3.699 123.560 119.914 -0.089 0.000 2.320 293 V HA 0.165 4.285 4.120 0.000 0.000 0.268 293 V C -0.850 175.181 176.094 -0.105 0.000 1.021 293 V CA -0.252 61.978 62.300 -0.117 0.000 0.813 293 V CB 0.476 32.262 31.823 -0.062 0.000 1.054 293 V HN 0.770 nan 8.190 nan 0.000 0.444 294 W N 5.339 126.365 121.300 -0.457 0.000 2.287 294 W HA 0.649 5.309 4.660 0.000 0.000 0.313 294 W C 0.378 176.626 176.519 -0.452 0.000 1.267 294 W CA -0.261 56.782 57.345 -0.503 0.000 1.201 294 W CB 1.175 30.160 29.460 -0.792 0.000 1.196 294 W HN 0.576 nan 8.180 nan 0.000 0.536 295 S N 5.060 120.576 115.700 -0.307 0.000 2.625 295 S HA 0.773 5.243 4.470 0.000 0.000 0.271 295 S C -1.187 173.316 174.600 -0.161 0.000 1.161 295 S CA -1.103 56.833 58.200 -0.440 0.000 0.820 295 S CB 1.821 64.850 63.200 -0.286 0.000 1.137 295 S HN 0.410 nan 8.310 nan 0.000 0.470 296 I N 1.107 121.651 120.570 -0.044 0.000 2.548 296 I HA 0.297 4.467 4.170 0.000 0.000 0.287 296 I C 0.926 177.103 176.117 0.099 0.000 1.103 296 I CA -0.730 60.621 61.300 0.084 0.000 1.049 296 I CB 2.278 40.375 38.000 0.162 0.000 1.232 296 I HN 0.740 nan 8.210 nan 0.000 0.429 297 T N 5.615 120.204 114.554 0.057 0.000 2.486 297 T HA -0.097 4.253 4.350 0.000 0.000 0.257 297 T C -1.179 173.571 174.700 0.084 0.000 1.175 297 T CA 2.131 64.231 62.100 0.000 0.000 1.207 297 T CB -0.726 68.139 68.868 -0.004 0.000 0.864 297 T HN 0.472 nan 8.240 nan 0.000 0.405 298 P HA 0.303 nan 4.420 nan 0.000 0.261 298 P C -0.089 177.442 177.300 0.386 0.000 1.268 298 P CA -0.214 63.113 63.100 0.378 0.000 0.833 298 P CB -0.121 31.713 31.700 0.223 0.000 1.231 299 L N 1.856 123.259 121.223 0.299 0.000 2.499 299 L HA 0.254 4.594 4.340 0.000 0.000 0.273 299 L C -2.426 174.522 176.870 0.130 0.000 1.195 299 L CA -1.900 53.050 54.840 0.184 0.000 0.882 299 L CB -0.376 41.779 42.059 0.160 0.000 1.133 299 L HN -0.146 nan 8.230 nan 0.000 0.483 300 P HA 0.005 nan 4.420 nan 0.000 0.268 300 P C -0.760 176.548 177.300 0.013 0.000 1.205 300 P CA -0.214 62.826 63.100 -0.100 0.000 0.771 300 P CB 0.740 32.390 31.700 -0.083 0.000 0.858 301 V N 2.653 122.560 119.914 -0.011 0.000 2.872 301 V HA 0.408 4.528 4.120 0.000 0.000 0.307 301 V C -0.033 176.139 176.094 0.130 0.000 1.072 301 V CA 0.556 62.917 62.300 0.102 0.000 1.148 301 V CB -0.026 31.803 31.823 0.010 0.000 0.954 301 V HN 0.744 nan 8.190 nan 0.000 0.490 302 A N 4.207 127.182 122.820 0.259 0.000 2.572 302 A HA 0.713 5.033 4.320 0.000 0.000 0.295 302 A C -0.311 177.428 177.584 0.257 0.000 1.072 302 A CA -0.524 51.649 52.037 0.228 0.000 0.691 302 A CB 1.734 20.922 19.000 0.313 0.000 1.291 302 A HN 0.801 nan 8.150 nan 0.000 0.404 303 T N 1.266 115.944 114.554 0.208 0.000 2.869 303 T HA 0.508 4.858 4.350 0.000 0.000 0.295 303 T C 0.264 175.123 174.700 0.264 0.000 0.987 303 T CA -0.028 62.177 62.100 0.176 0.000 1.109 303 T CB 0.765 69.706 68.868 0.122 0.000 0.932 303 T HN 0.543 nan 8.240 nan 0.000 0.518 304 V N 1.235 121.278 119.914 0.216 0.000 3.284 304 V HA 1.011 5.131 4.120 0.000 0.000 0.309 304 V C -0.097 176.156 176.094 0.264 0.000 1.190 304 V CA -0.837 61.643 62.300 0.301 0.000 1.038 304 V CB 1.729 33.693 31.823 0.235 0.000 1.198 304 V HN 1.156 nan 8.190 nan 0.000 0.465 305 A N 0.830 123.863 122.820 0.355 0.000 2.601 305 A HA 0.478 4.798 4.320 0.000 0.000 0.303 305 A C -1.286 176.554 177.584 0.426 0.000 1.004 305 A CA -0.566 51.675 52.037 0.339 0.000 0.742 305 A CB 0.320 19.452 19.000 0.221 0.000 1.250 305 A HN 0.908 nan 8.150 nan 0.000 0.406 306 L N 1.624 123.108 121.223 0.437 0.000 2.514 306 L HA 0.343 4.683 4.340 0.000 0.000 0.280 306 L C 1.138 178.039 176.870 0.051 0.000 1.223 306 L CA 1.189 56.087 54.840 0.096 0.000 0.864 306 L CB 0.843 42.856 42.059 -0.077 0.000 1.118 306 L HN 0.911 nan 8.230 nan 0.000 0.494 307 T N 0.436 114.974 114.554 -0.027 0.000 3.071 307 T HA 0.117 4.467 4.350 0.000 0.000 0.239 307 T C -0.062 174.607 174.700 -0.052 0.000 0.997 307 T CA 0.779 62.883 62.100 0.007 0.000 1.134 307 T CB 0.250 69.146 68.868 0.046 0.000 0.928 307 T HN 0.770 nan 8.240 nan 0.000 0.453 308 T N -0.104 114.373 114.554 -0.128 0.000 3.143 308 T HA 0.690 5.040 4.350 0.000 0.000 0.312 308 T C -0.142 174.435 174.700 -0.206 0.000 0.986 308 T CA -0.271 61.752 62.100 -0.128 0.000 1.024 308 T CB 1.735 70.553 68.868 -0.085 0.000 1.030 308 T HN 0.580 nan 8.240 nan 0.000 0.448 309 G N 1.370 110.068 108.800 -0.169 0.000 2.315 309 G HA2 0.271 4.231 3.960 0.000 0.000 0.296 309 G HA3 0.271 4.231 3.960 0.000 0.000 0.296 309 G C -0.654 174.163 174.900 -0.137 0.000 1.289 309 G CA -0.736 44.257 45.100 -0.179 0.000 0.996 309 G HN 0.797 nan 8.290 nan 0.000 0.487 310 T N 1.685 116.177 114.554 -0.102 0.000 2.784 310 T HA 0.484 4.834 4.350 0.000 0.000 0.291 310 T C 1.414 176.120 174.700 0.010 0.000 0.942 310 T CA 0.966 63.053 62.100 -0.022 0.000 1.161 310 T CB 0.327 69.209 68.868 0.023 0.000 0.885 310 T HN 1.443 nan 8.240 nan 0.000 0.534 311 G N 1.730 110.557 108.800 0.046 0.000 2.825 311 G HA2 0.404 4.364 3.960 0.000 0.000 0.241 311 G HA3 0.404 4.364 3.960 0.000 0.000 0.241 311 G C 0.528 175.566 174.900 0.231 0.000 1.239 311 G CA -0.110 45.060 45.100 0.116 0.000 0.859 311 G HN 1.262 nan 8.290 nan 0.000 0.598 312 G N -0.857 108.130 108.800 0.311 0.000 2.220 312 G HA2 0.438 4.398 3.960 0.000 0.000 0.221 312 G HA3 0.438 4.398 3.960 0.000 0.000 0.221 312 G C -0.482 174.624 174.900 0.343 0.000 2.189 312 G CA 0.023 45.313 45.100 0.317 0.000 1.153 312 G HN 0.931 nan 8.290 nan 0.000 0.621 313 T N 1.488 116.167 114.554 0.208 0.000 2.900 313 T HA 0.740 5.090 4.350 0.000 0.000 0.303 313 T C -0.825 173.889 174.700 0.023 0.000 1.142 313 T CA -0.901 61.251 62.100 0.086 0.000 1.007 313 T CB 1.783 70.758 68.868 0.179 0.000 1.156 313 T HN 0.374 nan 8.240 nan 0.000 0.490 314 N N 2.324 120.993 118.700 -0.051 0.000 2.571 314 N HA 0.262 5.002 4.740 0.000 0.000 0.286 314 N C -1.099 174.344 175.510 -0.112 0.000 1.138 314 N CA -0.537 52.475 53.050 -0.062 0.000 0.859 314 N CB 1.493 39.939 38.487 -0.068 0.000 1.414 314 N HN 0.541 nan 8.380 nan 0.000 0.529 315 N N -0.246 118.399 118.700 -0.092 0.000 2.381 315 N HA 0.204 4.944 4.740 0.000 0.000 0.254 315 N C 0.421 175.836 175.510 -0.158 0.000 1.264 315 N CA 0.235 53.203 53.050 -0.135 0.000 0.942 315 N CB 0.892 39.335 38.487 -0.073 0.000 1.190 315 N HN 0.346 nan 8.380 nan 0.000 0.495 316 T N -1.611 112.821 114.554 -0.203 0.000 2.881 316 T HA 0.250 4.600 4.350 0.000 0.000 0.278 316 T C 1.113 175.735 174.700 -0.130 0.000 0.982 316 T CA -0.321 61.667 62.100 -0.187 0.000 0.989 316 T CB 0.773 69.495 68.868 -0.242 0.000 1.058 316 T HN 0.564 nan 8.240 nan 0.000 0.529 317 S N 1.267 116.895 115.700 -0.120 0.000 2.527 317 S HA 0.347 4.817 4.470 0.000 0.000 0.227 317 S C 1.384 175.932 174.600 -0.086 0.000 1.059 317 S CA 0.246 58.386 58.200 -0.100 0.000 0.919 317 S CB -0.801 62.331 63.200 -0.114 0.000 0.805 317 S HN 1.027 nan 8.310 nan 0.000 0.500 318 G N 2.355 111.107 108.800 -0.079 0.000 2.855 318 G HA2 0.152 4.112 3.960 0.000 0.000 0.248 318 G HA3 0.152 4.112 3.960 0.000 0.000 0.248 318 G C 0.483 175.372 174.900 -0.019 0.000 1.243 318 G CA 0.078 45.165 45.100 -0.022 0.000 0.881 318 G HN 0.669 nan 8.290 nan 0.000 0.598 319 K N -1.308 119.092 120.400 -0.001 0.000 2.444 319 K HA 0.251 4.571 4.320 0.000 0.000 0.193 319 K C -0.337 176.013 176.600 -0.417 0.000 1.024 319 K CA 0.116 56.284 56.287 -0.198 0.000 1.077 319 K CB 0.147 32.481 32.500 -0.276 0.000 0.833 319 K HN 0.237 nan 8.250 nan 0.000 0.517 320 F N 0.307 120.247 119.950 -0.016 0.000 2.594 320 F HA 0.376 4.903 4.527 0.000 0.000 0.335 320 F C -0.225 175.560 175.800 -0.026 0.000 1.058 320 F CA -1.899 56.100 58.000 -0.002 0.000 0.981 320 F CB 0.814 39.808 39.000 -0.009 0.000 1.289 320 F HN -0.208 nan 8.300 nan 0.000 0.490 321 F N 1.778 121.738 119.950 0.016 0.000 2.424 321 F HA 0.544 5.071 4.527 0.000 0.000 0.356 321 F C 0.042 175.655 175.800 -0.311 0.000 1.110 321 F CA 0.103 57.975 58.000 -0.212 0.000 1.161 321 F CB 0.424 39.234 39.000 -0.317 0.000 1.115 321 F HN 0.297 nan 8.300 nan 0.000 0.507 322 S N 4.844 119.785 115.700 -1.265 0.000 2.567 322 S HA 0.798 5.268 4.470 0.000 0.000 0.270 322 S C -1.993 171.981 174.600 -1.043 0.000 1.152 322 S CA -0.513 57.042 58.200 -1.076 0.000 0.835 322 S CB 1.268 64.172 63.200 -0.494 0.000 1.115 322 S HN 1.023 nan 8.310 nan 0.000 0.459 323 V N 2.257 121.703 119.914 -0.780 0.000 3.108 323 V HA 0.585 4.705 4.120 0.000 0.000 0.287 323 V C -1.669 174.208 176.094 -0.362 0.000 1.436 323 V CA -0.409 61.568 62.300 -0.538 0.000 1.001 323 V CB 2.020 33.498 31.823 -0.575 0.000 1.141 323 V HN 0.994 nan 8.190 nan 0.000 0.443 324 E N 4.799 124.837 120.200 -0.271 0.000 2.183 324 E HA 0.791 5.141 4.350 0.000 0.000 0.271 324 E C -1.247 175.212 176.600 -0.235 0.000 0.919 324 E CA -0.661 55.611 56.400 -0.213 0.000 0.781 324 E CB 1.829 31.448 29.700 -0.135 0.000 1.140 324 E HN 0.693 nan 8.360 nan 0.000 0.402 325 I N 0.590 120.991 120.570 -0.281 0.000 2.841 325 I HA 0.472 4.642 4.170 0.000 0.000 0.298 325 I C -1.346 174.678 176.117 -0.155 0.000 1.304 325 I CA -1.046 60.057 61.300 -0.328 0.000 1.019 325 I CB 2.218 39.643 38.000 -0.960 0.000 1.282 325 I HN 0.315 nan 8.210 nan 0.000 0.432 326 D N 2.778 123.238 120.400 0.100 0.000 2.340 326 D HA 0.841 5.481 4.640 0.000 0.000 0.240 326 D C -0.215 176.391 176.300 0.510 0.000 1.001 326 D CA -0.619 53.515 54.000 0.223 0.000 0.888 326 D CB 2.490 43.384 40.800 0.157 0.000 1.310 326 D HN 1.124 nan 8.370 nan 0.000 0.474 327 G N 0.400 109.456 108.800 0.428 0.000 2.339 327 G HA2 0.148 4.108 3.960 0.000 0.000 0.302 327 G HA3 0.148 4.108 3.960 0.000 0.000 0.302 327 G C -1.150 173.912 174.900 0.270 0.000 1.425 327 G CA -0.978 44.355 45.100 0.388 0.000 0.899 327 G HN 0.649 nan 8.290 nan 0.000 0.619 328 N N -0.645 118.137 118.700 0.138 0.000 2.418 328 N HA 0.313 5.053 4.740 0.000 0.000 0.283 328 N C 1.956 177.510 175.510 0.073 0.000 1.267 328 N CA 0.113 53.219 53.050 0.093 0.000 0.975 328 N CB 1.000 39.514 38.487 0.045 0.000 1.167 328 N HN 1.102 nan 8.380 nan 0.000 0.581 329 V N -2.428 117.514 119.914 0.045 0.000 2.720 329 V HA -0.151 3.969 4.120 0.000 0.000 0.256 329 V C 1.509 177.588 176.094 -0.025 0.000 1.082 329 V CA 1.616 63.927 62.300 0.019 0.000 1.101 329 V CB -0.850 30.980 31.823 0.012 0.000 0.693 329 V HN 0.490 nan 8.190 nan 0.000 0.479 330 N N 0.687 119.364 118.700 -0.039 0.000 2.376 330 N HA 0.044 4.784 4.740 0.000 0.000 0.177 330 N C 0.814 176.238 175.510 -0.143 0.000 1.024 330 N CA 0.745 53.752 53.050 -0.071 0.000 0.893 330 N CB -0.202 38.253 38.487 -0.054 0.000 0.980 330 N HN 0.586 nan 8.380 nan 0.000 0.439 331 S N -0.104 115.477 115.700 -0.197 0.000 2.537 331 S HA 0.211 4.681 4.470 0.000 0.000 0.286 331 S C -0.293 173.919 174.600 -0.646 0.000 1.299 331 S CA -0.232 57.686 58.200 -0.470 0.000 1.067 331 S CB 1.206 64.085 63.200 -0.534 0.000 0.864 331 S HN -0.033 nan 8.310 nan 0.000 0.494 332 V N 4.709 124.189 119.914 -0.723 0.000 2.567 332 V HA 0.374 4.494 4.120 0.000 0.000 0.298 332 V C -0.606 175.310 176.094 -0.298 0.000 1.047 332 V CA -0.748 61.318 62.300 -0.389 0.000 0.880 332 V CB 1.134 32.880 31.823 -0.128 0.000 1.009 332 V HN 0.876 nan 8.190 nan 0.000 0.429 333 W N 2.621 124.059 121.300 0.230 0.000 2.576 333 W HA 0.796 5.456 4.660 0.000 0.000 0.360 333 W C 0.271 177.003 176.519 0.356 0.000 1.109 333 W CA -0.528 56.985 57.345 0.279 0.000 1.237 333 W CB 2.202 31.858 29.460 0.326 0.000 1.369 333 W HN 0.600 nan 8.180 nan 0.000 0.609 334 T N -0.797 114.124 114.554 0.611 0.000 2.821 334 T HA 0.772 5.122 4.350 0.000 0.000 0.306 334 T C -1.178 173.889 174.700 0.611 0.000 1.313 334 T CA -0.744 61.703 62.100 0.578 0.000 1.012 334 T CB 2.370 71.435 68.868 0.329 0.000 1.298 334 T HN 0.514 nan 8.240 nan 0.000 0.502 335 F N -1.354 118.748 119.950 0.253 0.000 2.741 335 F HA 0.764 5.291 4.527 0.000 0.000 0.313 335 F C -1.158 174.678 175.800 0.060 0.000 1.153 335 F CA -1.240 56.841 58.000 0.135 0.000 0.931 335 F CB 1.128 40.182 39.000 0.090 0.000 1.335 335 F HN 0.693 nan 8.300 nan 0.000 0.460 336 T N 1.695 116.099 114.554 -0.250 0.000 2.767 336 T HA 0.669 5.019 4.350 0.000 0.000 0.284 336 T C 0.103 174.527 174.700 -0.461 0.000 0.973 336 T CA -0.289 61.600 62.100 -0.351 0.000 0.996 336 T CB 1.271 70.071 68.868 -0.113 0.000 0.927 336 T HN 0.966 nan 8.240 nan 0.000 0.456 337 A N 4.691 127.217 122.820 -0.490 0.000 2.566 337 A HA 0.295 4.615 4.320 0.000 0.000 0.245 337 A C -1.381 176.123 177.584 -0.133 0.000 1.056 337 A CA -0.875 50.972 52.037 -0.317 0.000 0.757 337 A CB -0.227 18.657 19.000 -0.192 0.000 0.979 337 A HN 0.586 nan 8.150 nan 0.000 0.508 338 P HA 0.225 nan 4.420 nan 0.000 0.236 338 P C 0.110 177.386 177.300 -0.041 0.000 1.177 338 P CA 1.523 64.605 63.100 -0.030 0.000 0.773 338 P CB 0.335 32.034 31.700 -0.001 0.000 0.878 339 A N -2.345 120.451 122.820 -0.040 0.000 2.549 339 A HA 0.452 4.772 4.320 0.000 0.000 0.291 339 A C -0.468 177.107 177.584 -0.015 0.000 1.034 339 A CA -0.468 51.543 52.037 -0.043 0.000 0.655 339 A CB 0.092 19.055 19.000 -0.061 0.000 1.299 339 A HN -0.186 nan 8.150 nan 0.000 0.427 340 S N -0.615 115.073 115.700 -0.020 0.000 2.554 340 S HA 0.402 4.872 4.470 0.000 0.000 0.290 340 S C -0.141 174.541 174.600 0.137 0.000 1.309 340 S CA 0.523 58.758 58.200 0.059 0.000 1.047 340 S CB -0.424 62.816 63.200 0.066 0.000 0.828 340 S HN 0.671 nan 8.310 nan 0.000 0.509 341 I N 4.239 124.944 120.570 0.224 0.000 2.610 341 I HA 0.322 4.492 4.170 0.000 0.000 0.289 341 I C -0.796 175.506 176.117 0.308 0.000 1.163 341 I CA -0.536 60.927 61.300 0.271 0.000 1.044 341 I CB 1.724 39.887 38.000 0.272 0.000 1.251 341 I HN 0.499 nan 8.210 nan 0.000 0.424 342 L N 5.230 126.613 121.223 0.267 0.000 2.334 342 L HA 0.924 5.264 4.340 0.000 0.000 0.272 342 L C -0.084 176.889 176.870 0.172 0.000 1.020 342 L CA -0.715 54.247 54.840 0.203 0.000 0.812 342 L CB 1.849 43.966 42.059 0.096 0.000 1.264 342 L HN 0.677 nan 8.230 nan 0.000 0.439 343 A N 1.249 124.170 122.820 0.169 0.000 2.465 343 A HA 0.518 4.838 4.320 0.000 0.000 0.292 343 A C -0.338 177.308 177.584 0.102 0.000 1.041 343 A CA -0.386 51.713 52.037 0.103 0.000 0.718 343 A CB 1.021 20.029 19.000 0.014 0.000 1.266 343 A HN 0.879 nan 8.150 nan 0.000 0.403 344 E N 1.212 121.452 120.200 0.068 0.000 2.389 344 E HA -0.206 4.144 4.350 0.000 0.000 0.243 344 E C 0.939 177.571 176.600 0.055 0.000 1.154 344 E CA 1.224 57.660 56.400 0.059 0.000 0.723 344 E CB -1.702 28.040 29.700 0.071 0.000 1.261 344 E HN 2.472 nan 8.360 nan 0.000 0.390 345 G N -0.049 108.777 108.800 0.044 0.000 2.258 345 G HA2 -0.337 3.623 3.960 0.000 0.000 0.274 345 G HA3 -0.337 3.623 3.960 0.000 0.000 0.274 345 G C -0.155 174.765 174.900 0.033 0.000 1.021 345 G CA 0.876 45.991 45.100 0.025 0.000 0.798 345 G HN 0.256 nan 8.290 nan 0.000 0.507 346 E N -0.045 120.197 120.200 0.070 0.000 2.256 346 E HA 0.350 4.700 4.350 0.000 0.000 0.268 346 E C -2.536 174.142 176.600 0.130 0.000 0.877 346 E CA -2.127 54.324 56.400 0.085 0.000 0.757 346 E CB 2.402 32.162 29.700 0.101 0.000 1.183 346 E HN 0.078 nan 8.360 nan 0.000 0.418 347 P HA -0.053 nan 4.420 nan 0.000 0.254 347 P C 0.454 177.843 177.300 0.148 0.000 1.186 347 P CA 0.227 63.398 63.100 0.118 0.000 0.868 347 P CB -0.119 31.620 31.700 0.066 0.000 0.856 348 F N 4.433 124.427 119.950 0.073 0.000 2.187 348 F HA 0.243 4.770 4.527 0.000 0.000 0.295 348 F C 0.769 176.605 175.800 0.060 0.000 1.091 348 F CA 1.273 59.319 58.000 0.075 0.000 1.308 348 F CB 0.308 39.369 39.000 0.102 0.000 1.030 348 F HN 0.426 nan 8.300 nan 0.000 0.487 349 A N -0.263 122.605 122.820 0.079 0.000 2.594 349 A HA 0.522 4.842 4.320 0.000 0.000 0.296 349 A C -1.161 176.448 177.584 0.040 0.000 1.056 349 A CA -0.840 51.175 52.037 -0.037 0.000 0.693 349 A CB 0.590 19.540 19.000 -0.084 0.000 1.278 349 A HN 0.218 nan 8.150 nan 0.000 0.408 350 E N 0.710 120.907 120.200 -0.006 0.000 2.232 350 E HA 0.410 4.760 4.350 0.000 0.000 0.264 350 E C 0.185 176.768 176.600 -0.028 0.000 0.973 350 E CA -0.981 55.423 56.400 0.007 0.000 0.849 350 E CB 1.072 30.778 29.700 0.010 0.000 1.198 350 E HN 0.626 nan 8.360 nan 0.000 0.407 351 E N 1.105 121.288 120.200 -0.028 0.000 2.598 351 E HA -0.367 3.983 4.350 0.000 0.000 0.250 351 E C 1.669 178.231 176.600 -0.063 0.000 1.037 351 E CA 2.348 58.720 56.400 -0.045 0.000 1.274 351 E CB -0.812 28.866 29.700 -0.037 0.000 1.177 351 E HN 0.832 nan 8.360 nan 0.000 0.490 352 G N 1.793 110.560 108.800 -0.054 0.000 2.575 352 G HA2 -0.198 3.762 3.960 0.000 0.000 0.215 352 G HA3 -0.198 3.762 3.960 0.000 0.000 0.215 352 G C 0.041 174.889 174.900 -0.086 0.000 1.262 352 G CA 0.684 45.748 45.100 -0.061 0.000 0.807 352 G HN 0.266 nan 8.290 nan 0.000 0.567 353 D N 1.255 121.605 120.400 -0.083 0.000 3.968 353 D HA -0.062 4.578 4.640 0.000 0.000 0.171 353 D C 0.086 176.300 176.300 -0.143 0.000 1.016 353 D CA 0.937 54.875 54.000 -0.104 0.000 0.663 353 D CB 0.035 40.766 40.800 -0.115 0.000 1.137 353 D HN 0.091 nan 8.370 nan 0.000 0.571 354 T N 3.027 117.509 114.554 -0.120 0.000 2.728 354 T HA 0.259 4.609 4.350 0.000 0.000 0.296 354 T C 0.515 175.155 174.700 -0.100 0.000 0.940 354 T CA -0.513 61.507 62.100 -0.134 0.000 1.013 354 T CB 0.881 69.716 68.868 -0.056 0.000 0.912 354 T HN 0.153 nan 8.240 nan 0.000 0.484 355 T N 3.564 118.018 114.554 -0.167 0.000 2.889 355 T HA 0.499 4.849 4.350 0.000 0.000 0.291 355 T C 0.466 175.328 174.700 0.269 0.000 0.995 355 T CA -0.722 61.413 62.100 0.059 0.000 1.092 355 T CB 0.725 69.689 68.868 0.160 0.000 0.954 355 T HN 0.687 nan 8.240 nan 0.000 0.506 356 S N 1.968 117.855 115.700 0.311 0.000 2.568 356 S HA 0.799 5.269 4.470 0.000 0.000 0.302 356 S C -1.116 173.694 174.600 0.349 0.000 1.082 356 S CA -0.963 57.441 58.200 0.339 0.000 1.009 356 S CB 1.380 64.695 63.200 0.191 0.000 1.069 356 S HN 0.607 nan 8.310 nan 0.000 0.500 357 F N 1.152 121.216 119.950 0.189 0.000 2.539 357 F HA 0.765 5.292 4.527 0.000 0.000 0.318 357 F C -0.278 175.636 175.800 0.191 0.000 1.135 357 F CA -0.017 57.966 58.000 -0.029 0.000 0.915 357 F CB 1.916 40.592 39.000 -0.541 0.000 1.176 357 F HN 0.838 nan 8.300 nan 0.000 0.440 358 S N 4.874 120.092 115.700 -0.804 0.000 2.819 358 S HA 0.739 5.209 4.470 0.000 0.000 0.299 358 S C -1.436 172.811 174.600 -0.587 0.000 1.192 358 S CA -0.856 57.060 58.200 -0.473 0.000 0.847 358 S CB 1.480 64.573 63.200 -0.177 0.000 1.224 358 S HN 0.619 nan 8.310 nan 0.000 0.537 359 M N 2.436 121.912 119.600 -0.206 0.000 2.053 359 M HA 0.320 4.800 4.480 0.000 0.000 0.297 359 M C 0.383 176.652 176.300 -0.052 0.000 0.921 359 M CA -0.691 54.550 55.300 -0.099 0.000 0.918 359 M CB 1.040 33.659 32.600 0.031 0.000 1.499 359 M HN 0.569 nan 8.290 nan 0.000 0.422 360 T N 1.528 116.050 114.554 -0.053 0.000 2.720 360 T HA -0.058 4.292 4.350 0.000 0.000 0.268 360 T C 0.727 175.418 174.700 -0.016 0.000 1.037 360 T CA 1.594 63.674 62.100 -0.034 0.000 1.144 360 T CB 0.028 68.877 68.868 -0.032 0.000 0.864 360 T HN 0.760 nan 8.240 nan 0.000 0.444 361 T N -0.024 114.526 114.554 -0.005 0.000 2.883 361 T HA 0.735 5.085 4.350 0.000 0.000 0.296 361 T C -1.092 173.627 174.700 0.032 0.000 1.117 361 T CA -0.610 61.496 62.100 0.010 0.000 1.006 361 T CB 2.482 71.352 68.868 0.004 0.000 1.191 361 T HN 0.132 nan 8.240 nan 0.000 0.508 362 I N 0.917 121.510 120.570 0.037 0.000 2.667 362 I HA 0.510 4.680 4.170 0.000 0.000 0.288 362 I C -0.605 175.539 176.117 0.045 0.000 1.267 362 I CA 0.014 61.346 61.300 0.055 0.000 1.055 362 I CB 2.057 40.099 38.000 0.071 0.000 1.294 362 I HN 0.789 nan 8.210 nan 0.000 0.429 363 T N 3.537 118.119 114.554 0.046 0.000 2.551 363 T HA 0.664 5.014 4.350 0.000 0.000 0.249 363 T C 0.476 175.202 174.700 0.043 0.000 0.851 363 T CA 0.474 62.597 62.100 0.039 0.000 1.149 363 T CB 1.513 70.400 68.868 0.031 0.000 1.456 363 T HN 0.567 nan 8.240 nan 0.000 0.514 364 A N 0.044 122.886 122.820 0.037 0.000 2.343 364 A HA 0.320 4.640 4.320 0.000 0.000 0.223 364 A C 0.885 178.491 177.584 0.036 0.000 1.214 364 A CA 1.058 53.117 52.037 0.037 0.000 0.900 364 A CB -0.076 18.944 19.000 0.034 0.000 0.942 364 A HN 0.778 nan 8.150 nan 0.000 0.507 365 D N -1.787 118.635 120.400 0.036 0.000 2.497 365 D HA 0.081 4.721 4.640 0.000 0.000 0.256 365 D C 0.226 176.549 176.300 0.038 0.000 1.273 365 D CA 1.027 55.048 54.000 0.035 0.000 0.812 365 D CB -0.424 40.395 40.800 0.031 0.000 1.190 365 D HN 0.248 nan 8.370 nan 0.000 0.524 366 T N -2.331 112.247 114.554 0.039 0.000 2.843 366 T HA 0.725 5.075 4.350 0.000 0.000 0.302 366 T C -1.086 173.642 174.700 0.047 0.000 1.232 366 T CA -0.783 61.340 62.100 0.038 0.000 1.009 366 T CB 2.314 71.196 68.868 0.023 0.000 1.254 366 T HN -0.054 nan 8.240 nan 0.000 0.504 367 V N 0.984 120.929 119.914 0.050 0.000 2.789 367 V HA 0.455 4.575 4.120 0.000 0.000 0.300 367 V C -0.725 175.393 176.094 0.040 0.000 1.184 367 V CA -0.897 61.444 62.300 0.068 0.000 0.930 367 V CB 2.163 34.061 31.823 0.126 0.000 1.041 367 V HN 0.968 nan 8.190 nan 0.000 0.430 368 V N 6.047 125.969 119.914 0.013 0.000 2.364 368 V HA 0.419 4.539 4.120 0.000 0.000 0.272 368 V C -0.396 175.702 176.094 0.006 0.000 1.036 368 V CA -0.429 61.844 62.300 -0.046 0.000 0.880 368 V CB 0.903 32.695 31.823 -0.051 0.000 0.991 368 V HN 0.831 nan 8.190 nan 0.000 0.460 369 Y N 3.167 123.443 120.300 -0.040 0.000 2.534 369 Y HA 0.885 5.435 4.550 0.000 0.000 0.329 369 Y C 0.025 175.822 175.900 -0.172 0.000 1.154 369 Y CA -2.070 55.933 58.100 -0.161 0.000 1.192 369 Y CB 1.704 40.221 38.460 0.096 0.000 1.275 369 Y HN 0.554 nan 8.280 nan 0.000 0.491 370 S N 0.678 116.404 115.700 0.044 0.000 2.605 370 S HA 0.551 5.021 4.470 0.000 0.000 0.279 370 S C -1.517 173.075 174.600 -0.014 0.000 1.166 370 S CA -0.731 57.527 58.200 0.097 0.000 0.975 370 S CB 0.365 63.577 63.200 0.019 0.000 1.111 370 S HN 1.269 nan 8.310 nan 0.000 0.465 371 V N 0.718 120.726 119.914 0.157 0.000 2.370 371 V HA 0.802 4.922 4.120 0.000 0.000 0.279 371 V C -0.023 176.316 176.094 0.408 0.000 1.029 371 V CA -0.574 61.872 62.300 0.244 0.000 0.870 371 V CB 0.877 32.861 31.823 0.269 0.000 0.984 371 V HN 0.856 nan 8.190 nan 0.000 0.451 372 S N 3.593 119.470 115.700 0.296 0.000 2.429 372 S HA 0.510 4.980 4.470 0.000 0.000 0.302 372 S C 0.149 174.811 174.600 0.102 0.000 1.115 372 S CA -0.391 57.921 58.200 0.187 0.000 1.095 372 S CB 1.392 64.646 63.200 0.091 0.000 0.987 372 S HN 0.999 nan 8.310 nan 0.000 0.474 373 S N 1.730 117.320 115.700 -0.184 0.000 2.554 373 S HA 0.266 4.736 4.470 0.000 0.000 0.278 373 S C 1.354 175.818 174.600 -0.227 0.000 1.242 373 S CA -0.560 57.398 58.200 -0.403 0.000 1.051 373 S CB 1.210 63.726 63.200 -1.139 0.000 0.986 373 S HN 0.717 nan 8.310 nan 0.000 0.502 374 S N 4.171 119.773 115.700 -0.164 0.000 2.447 374 S HA -0.028 4.442 4.470 0.000 0.000 0.233 374 S C 0.884 175.413 174.600 -0.119 0.000 1.006 374 S CA 0.107 58.242 58.200 -0.109 0.000 0.957 374 S CB -0.678 62.470 63.200 -0.087 0.000 0.773 374 S HN 0.698 nan 8.310 nan 0.000 0.507 375 L N 3.130 124.253 121.223 -0.168 0.000 2.516 375 L HA 0.190 4.530 4.340 0.000 0.000 0.288 375 L C -0.052 176.751 176.870 -0.111 0.000 1.246 375 L CA 0.944 55.701 54.840 -0.138 0.000 0.844 375 L CB -0.052 41.902 42.059 -0.175 0.000 1.106 375 L HN 0.130 nan 8.230 nan 0.000 0.509 376 T N 4.115 118.625 114.554 -0.073 0.000 2.832 376 T HA 0.477 4.827 4.350 0.000 0.000 0.296 376 T C 0.997 175.667 174.700 -0.050 0.000 0.968 376 T CA 0.361 62.429 62.100 -0.054 0.000 1.107 376 T CB 0.775 69.622 68.868 -0.036 0.000 0.916 376 T HN 1.089 nan 8.240 nan 0.000 0.517 377 G N 2.918 111.692 108.800 -0.043 0.000 2.189 377 G HA2 -0.322 3.638 3.960 0.000 0.000 0.267 377 G HA3 -0.322 3.638 3.960 0.000 0.000 0.267 377 G C 0.449 175.326 174.900 -0.039 0.000 0.975 377 G CA 0.274 45.356 45.100 -0.030 0.000 0.644 377 G HN 1.191 nan 8.290 nan 0.000 0.537 378 S N 0.641 116.293 115.700 -0.080 0.000 2.503 378 S HA 0.576 5.046 4.470 0.000 0.000 0.317 378 S C 0.654 175.201 174.600 -0.087 0.000 1.162 378 S CA 0.403 58.526 58.200 -0.129 0.000 1.124 378 S CB 1.046 64.071 63.200 -0.292 0.000 1.207 378 S HN 0.741 nan 8.310 nan 0.000 0.538 379 S N 2.868 118.573 115.700 0.007 0.000 2.558 379 S HA 0.244 4.714 4.470 0.000 0.000 0.288 379 S C 0.891 175.578 174.600 0.145 0.000 1.318 379 S CA -0.335 57.905 58.200 0.066 0.000 1.056 379 S CB 0.427 63.682 63.200 0.092 0.000 0.853 379 S HN 1.009 nan 8.310 nan 0.000 0.505 380 V N 1.710 121.722 119.914 0.163 0.000 3.369 380 V HA 0.625 4.745 4.120 0.000 0.000 0.309 380 V C 0.010 176.289 176.094 0.308 0.000 1.069 380 V CA -0.895 61.584 62.300 0.299 0.000 1.042 380 V CB 0.575 32.508 31.823 0.183 0.000 1.192 380 V HN 0.758 nan 8.190 nan 0.000 0.447 381 I N 0.693 121.460 120.570 0.328 0.000 2.525 381 I HA 0.618 4.788 4.170 0.000 0.000 0.301 381 I C -0.884 175.329 176.117 0.161 0.000 0.992 381 I CA -0.810 60.617 61.300 0.213 0.000 1.162 381 I CB 2.014 40.126 38.000 0.186 0.000 1.332 381 I HN 0.440 nan 8.210 nan 0.000 0.458 382 V N 5.523 125.486 119.914 0.082 0.000 2.733 382 V HA 0.570 4.690 4.120 0.000 0.000 0.306 382 V C -0.736 175.264 176.094 -0.157 0.000 1.084 382 V CA -0.623 61.669 62.300 -0.014 0.000 0.905 382 V CB 2.243 34.058 31.823 -0.013 0.000 1.010 382 V HN 0.670 nan 8.190 nan 0.000 0.424 383 R N 1.793 122.043 120.500 -0.418 0.000 2.566 383 R HA 0.666 5.006 4.340 0.000 0.000 0.271 383 R C -0.203 175.762 176.300 -0.558 0.000 1.071 383 R CA -0.162 55.557 56.100 -0.634 0.000 0.915 383 R CB 2.119 31.689 30.300 -1.216 0.000 1.228 383 R HN 0.959 nan 8.270 nan 0.000 0.449 384 G N 1.167 109.785 108.800 -0.303 0.000 2.338 384 G HA2 0.529 4.489 3.960 0.000 0.000 0.298 384 G HA3 0.529 4.489 3.960 0.000 0.000 0.298 384 G C -1.143 173.679 174.900 -0.129 0.000 1.140 384 G CA -0.294 44.703 45.100 -0.172 0.000 0.860 384 G HN 0.330 nan 8.290 nan 0.000 0.470 385 V N 1.925 121.808 119.914 -0.051 0.000 2.532 385 V HA 0.238 4.358 4.120 0.000 0.000 0.294 385 V C 0.158 176.283 176.094 0.051 0.000 1.036 385 V CA -0.812 61.506 62.300 0.029 0.000 0.876 385 V CB 1.679 33.575 31.823 0.121 0.000 1.012 385 V HN 0.748 nan 8.190 nan 0.000 0.432 386 T N 5.776 120.357 114.554 0.045 0.000 2.750 386 T HA 0.152 4.502 4.350 0.000 0.000 0.286 386 T C 0.420 175.156 174.700 0.059 0.000 0.911 386 T CA -0.071 62.056 62.100 0.046 0.000 1.130 386 T CB -0.138 68.752 68.868 0.038 0.000 0.873 386 T HN 0.806 nan 8.240 nan 0.000 0.536 387 K N 2.711 123.147 120.400 0.061 0.000 2.448 387 K HA 0.401 4.721 4.320 0.000 0.000 0.278 387 K C 1.242 177.870 176.600 0.047 0.000 1.009 387 K CA 0.088 56.412 56.287 0.063 0.000 0.995 387 K CB 0.289 32.826 32.500 0.061 0.000 0.917 387 K HN 0.610 nan 8.250 nan 0.000 0.481 388 G N 0.971 109.797 108.800 0.044 0.000 2.258 388 G HA2 -0.330 3.630 3.960 0.000 0.000 0.233 388 G HA3 -0.330 3.630 3.960 0.000 0.000 0.233 388 G C 0.453 175.381 174.900 0.048 0.000 1.006 388 G CA 0.345 45.459 45.100 0.023 0.000 0.620 388 G HN 0.814 nan 8.290 nan 0.000 0.511 389 S N -0.000 115.738 115.700 0.063 0.000 2.414 389 S HA 0.686 5.156 4.470 0.000 0.000 0.267 389 S C 1.656 176.316 174.600 0.099 0.000 1.165 389 S CA 0.992 59.236 58.200 0.074 0.000 1.028 389 S CB 0.118 63.354 63.200 0.061 0.000 1.154 389 S HN 1.527 nan 8.310 nan 0.000 0.472 390 G N -0.143 108.714 108.800 0.095 0.000 2.447 390 G HA2 0.371 4.331 3.960 0.000 0.000 0.269 390 G HA3 0.371 4.331 3.960 0.000 0.000 0.269 390 G C -0.972 173.988 174.900 0.100 0.000 1.455 390 G CA -0.227 44.933 45.100 0.101 0.000 1.061 390 G HN 0.663 nan 8.290 nan 0.000 0.545 391 V N 0.501 120.474 119.914 0.097 0.000 2.378 391 V HA 0.402 4.522 4.120 0.000 0.000 0.288 391 V C 0.351 176.516 176.094 0.119 0.000 1.016 391 V CA -0.553 61.812 62.300 0.107 0.000 0.840 391 V CB 1.229 33.102 31.823 0.084 0.000 0.994 391 V HN 0.897 nan 8.190 nan 0.000 0.431 392 S N 6.753 122.549 115.700 0.159 0.000 2.448 392 S HA 0.581 5.051 4.470 0.000 0.000 0.279 392 S C -0.439 174.284 174.600 0.204 0.000 1.195 392 S CA -0.437 57.856 58.200 0.155 0.000 1.051 392 S CB 0.116 63.390 63.200 0.124 0.000 0.948 392 S HN 0.509 nan 8.310 nan 0.000 0.493 393 I N 3.432 124.086 120.570 0.140 0.000 2.428 393 I HA 0.289 4.459 4.170 0.000 0.000 0.296 393 I C 0.069 176.264 176.117 0.130 0.000 0.985 393 I CA -0.481 60.899 61.300 0.133 0.000 1.260 393 I CB 1.889 39.940 38.000 0.085 0.000 1.389 393 I HN 0.590 nan 8.210 nan 0.000 0.484 394 T N 6.811 121.450 114.554 0.143 0.000 2.864 394 T HA 0.294 4.644 4.350 0.000 0.000 0.310 394 T C -2.426 172.324 174.700 0.083 0.000 1.040 394 T CA -1.254 60.916 62.100 0.117 0.000 0.977 394 T CB 1.087 70.043 68.868 0.146 0.000 0.976 394 T HN 0.386 nan 8.240 nan 0.000 0.459 395 P HA 0.102 nan 4.420 nan 0.000 0.266 395 P C -0.588 176.747 177.300 0.059 0.000 1.186 395 P CA -0.023 63.110 63.100 0.055 0.000 0.767 395 P CB 0.788 32.514 31.700 0.043 0.000 0.820 396 V N 2.254 122.209 119.914 0.067 0.000 3.119 396 V HA 0.687 4.807 4.120 0.000 0.000 0.311 396 V C -0.035 176.122 176.094 0.104 0.000 1.259 396 V CA -0.524 61.826 62.300 0.082 0.000 1.067 396 V CB 2.259 34.137 31.823 0.092 0.000 1.123 396 V HN 0.628 nan 8.190 nan 0.000 0.463 397 T N 1.109 115.749 114.554 0.144 0.000 4.096 397 T HA 0.367 4.717 4.350 0.000 0.000 0.336 397 T C -0.863 174.006 174.700 0.282 0.000 0.820 397 T CA -0.425 61.795 62.100 0.200 0.000 0.986 397 T CB 1.092 70.068 68.868 0.180 0.000 1.077 397 T HN 0.851 nan 8.240 nan 0.000 0.466 398 V N 0.538 120.588 119.914 0.228 0.000 2.617 398 V HA 0.911 5.031 4.120 0.000 0.000 0.298 398 V C 1.219 177.310 176.094 -0.006 0.000 1.048 398 V CA -0.253 62.137 62.300 0.151 0.000 0.964 398 V CB 1.489 33.371 31.823 0.097 0.000 1.004 398 V HN 0.868 nan 8.190 nan 0.000 0.466 399 G N 2.591 111.239 108.800 -0.253 0.000 3.061 399 G HA2 0.197 4.157 3.960 0.000 0.000 0.208 399 G HA3 0.197 4.157 3.960 0.000 0.000 0.208 399 G C 0.273 174.921 174.900 -0.419 0.000 1.175 399 G CA 0.013 44.638 45.100 -0.792 0.000 0.812 399 G HN 0.599 nan 8.290 nan 0.000 0.523 400 I N 0.419 120.873 120.570 -0.193 0.000 2.886 400 I HA 0.298 4.468 4.170 0.000 0.000 0.299 400 I C -0.287 175.785 176.117 -0.076 0.000 1.044 400 I CA -1.003 60.230 61.300 -0.112 0.000 1.310 400 I CB 1.033 39.003 38.000 -0.050 0.000 1.441 400 I HN -0.125 nan 8.210 nan 0.000 0.578 401 D N 0.879 121.249 120.400 -0.050 0.000 2.253 401 D HA 0.589 5.229 4.640 0.000 0.000 0.249 401 D C -0.417 175.895 176.300 0.020 0.000 1.049 401 D CA -0.147 53.843 54.000 -0.016 0.000 0.929 401 D CB 1.127 41.915 40.800 -0.019 0.000 1.176 401 D HN 0.687 nan 8.370 nan 0.000 0.437 402 T N -2.320 112.261 114.554 0.045 0.000 2.893 402 T HA 0.584 4.934 4.350 0.000 0.000 0.293 402 T C -0.549 174.194 174.700 0.070 0.000 1.027 402 T CA -1.195 60.953 62.100 0.079 0.000 0.988 402 T CB 1.563 70.495 68.868 0.105 0.000 1.043 402 T HN 0.396 nan 8.240 nan 0.000 0.461 403 E N 1.765 122.017 120.200 0.086 0.000 2.266 403 E HA 0.609 4.959 4.350 0.000 0.000 0.277 403 E C -0.158 176.489 176.600 0.078 0.000 1.018 403 E CA -1.103 55.341 56.400 0.074 0.000 0.840 403 E CB 1.035 30.784 29.700 0.080 0.000 1.082 403 E HN 0.884 nan 8.360 nan 0.000 0.395 404 A N 3.383 126.238 122.820 0.060 0.000 2.404 404 A HA 0.404 4.724 4.320 0.000 0.000 0.273 404 A C -0.391 177.228 177.584 0.059 0.000 1.144 404 A CA -0.577 51.490 52.037 0.050 0.000 0.806 404 A CB 0.499 19.521 19.000 0.038 0.000 1.080 404 A HN 0.485 nan 8.150 nan 0.000 0.509 405 V N 3.301 123.246 119.914 0.051 0.000 3.046 405 V HA 0.377 4.497 4.120 0.000 0.000 0.316 405 V C -0.431 175.672 176.094 0.015 0.000 1.104 405 V CA -1.039 61.297 62.300 0.059 0.000 1.006 405 V CB 2.275 34.141 31.823 0.072 0.000 1.058 405 V HN 0.952 nan 8.190 nan 0.000 0.440 406 N N 2.904 121.609 118.700 0.010 0.000 2.426 406 N HA 0.399 5.139 4.740 0.000 0.000 0.275 406 N C -0.607 174.830 175.510 -0.121 0.000 1.019 406 N CA -0.455 52.569 53.050 -0.044 0.000 0.941 406 N CB 1.267 39.743 38.487 -0.018 0.000 1.123 406 N HN 0.449 nan 8.380 nan 0.000 0.486 407 R N 2.175 122.595 120.500 -0.133 0.000 2.457 407 R HA 0.463 4.803 4.340 0.000 0.000 0.284 407 R C -0.497 175.665 176.300 -0.230 0.000 1.024 407 R CA -0.567 55.419 56.100 -0.189 0.000 1.025 407 R CB 0.798 31.001 30.300 -0.162 0.000 1.063 407 R HN 0.494 nan 8.270 nan 0.000 0.493 408 L N 1.814 122.838 121.223 -0.332 0.000 2.324 408 L HA 0.241 4.581 4.340 0.000 0.000 0.274 408 L C 0.495 177.109 176.870 -0.426 0.000 1.012 408 L CA -0.475 54.127 54.840 -0.397 0.000 0.859 408 L CB 1.663 43.376 42.059 -0.577 0.000 1.224 408 L HN 0.477 nan 8.230 nan 0.000 0.429 409 S N 4.575 120.105 115.700 -0.283 0.000 2.516 409 S HA 0.474 4.944 4.470 0.000 0.000 0.282 409 S C -0.308 174.197 174.600 -0.159 0.000 1.286 409 S CA -0.012 58.070 58.200 -0.196 0.000 1.066 409 S CB -0.075 63.018 63.200 -0.179 0.000 0.884 409 S HN 0.439 nan 8.310 nan 0.000 0.491 410 I N 3.516 124.052 120.570 -0.057 0.000 2.512 410 I HA 0.254 4.424 4.170 0.000 0.000 0.287 410 I C -0.188 176.024 176.117 0.158 0.000 1.069 410 I CA -0.814 60.465 61.300 -0.035 0.000 1.056 410 I CB 2.082 39.936 38.000 -0.243 0.000 1.229 410 I HN 0.550 nan 8.210 nan 0.000 0.429 411 E N 4.649 124.871 120.200 0.037 0.000 2.437 411 E HA 0.073 4.423 4.350 0.000 0.000 0.263 411 E C -0.572 176.103 176.600 0.126 0.000 1.030 411 E CA 0.014 56.357 56.400 -0.095 0.000 0.934 411 E CB 0.688 30.372 29.700 -0.027 0.000 0.943 411 E HN 0.385 nan 8.360 nan 0.000 0.444 412 M N 6.124 125.822 119.600 0.163 0.000 2.055 412 M HA 0.377 4.857 4.480 0.000 0.000 0.347 412 M C -2.432 174.004 176.300 0.227 0.000 1.123 412 M CA -2.571 52.825 55.300 0.159 0.000 1.035 412 M CB 1.365 33.930 32.600 -0.059 0.000 1.484 412 M HN 0.232 nan 8.290 nan 0.000 0.428 413 P HA -0.029 nan 4.420 nan 0.000 0.255 413 P C -0.750 176.673 177.300 0.204 0.000 1.151 413 P CA 0.421 63.626 63.100 0.175 0.000 0.767 413 P CB -0.056 31.688 31.700 0.074 0.000 0.736 414 A N 4.611 127.614 122.820 0.305 0.000 2.355 414 A HA -0.178 4.142 4.320 0.000 0.000 0.309 414 A C 1.195 178.967 177.584 0.313 0.000 0.864 414 A CA 0.645 52.906 52.037 0.372 0.000 1.274 414 A CB -0.788 18.350 19.000 0.229 0.000 0.690 414 A HN 0.658 nan 8.150 nan 0.000 0.335 415 L N 2.458 123.819 121.223 0.231 0.000 2.591 415 L HA 0.054 4.394 4.340 0.000 0.000 0.228 415 L C 0.615 177.443 176.870 -0.069 0.000 1.133 415 L CA 0.575 55.465 54.840 0.084 0.000 0.880 415 L CB -0.430 41.517 42.059 -0.188 0.000 1.033 415 L HN 0.786 nan 8.230 nan 0.000 0.450 416 T N -2.591 111.965 114.554 0.004 0.000 2.823 416 T HA 0.187 4.537 4.350 0.000 0.000 0.279 416 T C 1.306 175.916 174.700 -0.150 0.000 0.998 416 T CA -0.101 61.935 62.100 -0.107 0.000 0.994 416 T CB 1.868 70.736 68.868 -0.000 0.000 0.960 416 T HN 0.194 nan 8.240 nan 0.000 0.448 417 T N 0.519 114.940 114.554 -0.222 0.000 2.649 417 T HA -0.310 4.040 4.350 0.000 0.000 0.268 417 T C 1.711 176.344 174.700 -0.111 0.000 1.036 417 T CA 1.947 63.975 62.100 -0.120 0.000 1.157 417 T CB -0.524 68.227 68.868 -0.195 0.000 0.861 417 T HN 0.777 nan 8.240 nan 0.000 0.445 418 E N 1.390 121.507 120.200 -0.138 0.000 2.028 418 E HA -0.145 4.205 4.350 0.000 0.000 0.190 418 E C 2.208 178.761 176.600 -0.077 0.000 0.984 418 E CA 1.052 57.378 56.400 -0.124 0.000 0.800 418 E CB -0.673 28.954 29.700 -0.121 0.000 0.758 418 E HN 0.411 nan 8.360 nan 0.000 0.448 419 E N 0.981 121.158 120.200 -0.037 0.000 2.136 419 E HA -0.156 4.194 4.350 0.000 0.000 0.202 419 E C 2.301 178.913 176.600 0.021 0.000 1.019 419 E CA 1.198 57.602 56.400 0.007 0.000 0.819 419 E CB -0.315 29.424 29.700 0.065 0.000 0.739 419 E HN 0.195 nan 8.360 nan 0.000 0.458 420 V N 0.860 120.787 119.914 0.021 0.000 2.255 420 V HA -0.237 3.883 4.120 0.000 0.000 0.243 420 V C 2.614 178.676 176.094 -0.053 0.000 1.038 420 V CA 2.276 64.594 62.300 0.030 0.000 1.008 420 V CB -1.065 30.803 31.823 0.075 0.000 0.645 420 V HN 0.451 nan 8.190 nan 0.000 0.449 421 T N -2.607 111.809 114.554 -0.230 0.000 2.849 421 T HA -0.208 4.142 4.350 0.000 0.000 0.270 421 T C 1.624 176.277 174.700 -0.079 0.000 1.066 421 T CA 2.095 63.907 62.100 -0.482 0.000 1.130 421 T CB -0.567 67.947 68.868 -0.591 0.000 0.864 421 T HN 0.475 nan 8.240 nan 0.000 0.481 422 T N 1.556 116.093 114.554 -0.028 0.000 3.031 422 T HA 0.116 4.466 4.350 0.000 0.000 0.254 422 T C 1.947 176.680 174.700 0.055 0.000 1.060 422 T CA 0.395 62.510 62.100 0.025 0.000 1.135 422 T CB -0.119 68.744 68.868 -0.008 0.000 0.896 422 T HN 0.454 nan 8.240 nan 0.000 0.472 423 N N 0.862 119.593 118.700 0.053 0.000 2.395 423 N HA 0.071 4.811 4.740 0.000 0.000 0.175 423 N C 0.046 175.609 175.510 0.089 0.000 1.029 423 N CA 0.423 53.508 53.050 0.058 0.000 0.897 423 N CB 0.628 39.141 38.487 0.044 0.000 0.991 423 N HN 0.195 nan 8.380 nan 0.000 0.441 424 V N 3.478 123.474 119.914 0.136 0.000 2.398 424 V HA 0.209 4.329 4.120 0.000 0.000 0.286 424 V C -1.417 174.836 176.094 0.265 0.000 1.026 424 V CA -1.153 61.249 62.300 0.172 0.000 0.868 424 V CB 2.447 34.381 31.823 0.185 0.000 0.982 424 V HN 0.038 nan 8.190 nan 0.000 0.443 425 P HA 0.062 nan 4.420 nan 0.000 0.221 425 P C 0.705 177.845 177.300 -0.267 0.000 1.152 425 P CA 0.357 63.440 63.100 -0.029 0.000 0.851 425 P CB 0.576 32.260 31.700 -0.027 0.000 0.833 426 K N 0.982 121.313 120.400 -0.116 0.000 2.836 426 K HA 0.072 4.392 4.320 0.000 0.000 0.236 426 K C 0.619 177.154 176.600 -0.107 0.000 1.015 426 K CA -0.227 55.980 56.287 -0.134 0.000 1.194 426 K CB -1.325 31.158 32.500 -0.028 0.000 1.002 426 K HN 0.395 nan 8.250 nan 0.000 0.479 427 Y N -0.767 119.525 120.300 -0.013 0.000 2.344 427 Y HA 0.506 5.056 4.550 0.000 0.000 0.330 427 Y C -0.196 175.663 175.900 -0.069 0.000 1.330 427 Y CA -1.535 56.542 58.100 -0.037 0.000 1.479 427 Y CB 0.609 39.045 38.460 -0.040 0.000 1.428 427 Y HN 0.007 nan 8.280 nan 0.000 0.544 428 E N 0.763 121.094 120.200 0.218 0.000 2.367 428 E HA 0.239 4.589 4.350 0.000 0.000 0.292 428 E C -1.862 174.604 176.600 -0.223 0.000 0.900 428 E CA -0.760 55.651 56.400 0.019 0.000 0.807 428 E CB 0.958 30.703 29.700 0.075 0.000 1.337 428 E HN 0.668 nan 8.360 nan 0.000 0.394 429 Q N 2.245 121.810 119.800 -0.391 0.000 2.205 429 Q HA 0.759 5.099 4.340 0.000 0.000 0.249 429 Q C -1.061 174.237 176.000 -1.171 0.000 0.948 429 Q CA -0.286 55.047 55.803 -0.784 0.000 0.895 429 Q CB 1.252 29.874 28.738 -0.193 0.000 1.249 429 Q HN 0.335 nan 8.270 nan 0.000 0.458 430 F N -0.878 118.244 119.950 -1.382 0.000 2.693 430 F HA 0.394 4.921 4.527 -0.000 0.000 0.309 430 F C -1.084 174.389 175.800 -0.544 0.000 1.129 430 F CA -1.028 56.484 58.000 -0.814 0.000 0.948 430 F CB 1.633 40.201 39.000 -0.720 0.000 1.315 430 F HN 0.419 nan 8.300 nan 0.000 0.447 431 L N 1.990 123.337 121.223 0.207 0.000 2.290 431 L HA 0.176 4.516 4.340 0.000 0.000 0.284 431 L C 0.577 177.531 176.870 0.140 0.000 1.078 431 L CA -0.469 54.508 54.840 0.228 0.000 0.815 431 L CB 1.109 43.289 42.059 0.202 0.000 1.162 431 L HN 0.900 nan 8.230 nan 0.000 0.435 432 C N 1.631 120.907 119.300 -0.039 0.000 2.398 432 C HA -0.186 4.274 4.460 0.000 0.000 0.276 432 C C 2.514 177.386 174.990 -0.197 0.000 1.222 432 C CA 0.663 59.430 59.018 -0.419 0.000 1.746 432 C CB -0.807 25.773 27.740 -1.935 0.000 2.039 432 C HN 0.865 nan 8.230 nan 0.000 0.470 433 K N 1.078 121.444 120.400 -0.056 0.000 2.059 433 K HA -0.254 4.066 4.320 0.000 0.000 0.212 433 K C 1.769 178.452 176.600 0.140 0.000 1.050 433 K CA 2.064 58.433 56.287 0.136 0.000 0.927 433 K CB -0.384 32.204 32.500 0.146 0.000 0.714 433 K HN 0.660 nan 8.250 nan 0.000 0.447 434 E N 0.555 120.834 120.200 0.132 0.000 2.076 434 E HA -0.041 4.309 4.350 0.000 0.000 0.190 434 E C 0.713 177.387 176.600 0.123 0.000 0.979 434 E CA 0.405 56.887 56.400 0.136 0.000 0.807 434 E CB 0.203 30.002 29.700 0.164 0.000 0.761 434 E HN 0.017 nan 8.360 nan 0.000 0.454 435 S N 0.609 116.396 115.700 0.145 0.000 2.464 435 S HA 0.250 4.720 4.470 0.000 0.000 0.313 435 S C 0.782 175.468 174.600 0.143 0.000 1.078 435 S CA -0.487 57.766 58.200 0.088 0.000 1.096 435 S CB 0.643 63.899 63.200 0.093 0.000 1.032 435 S HN 0.284 nan 8.310 nan 0.000 0.498 436 G N 3.250 112.119 108.800 0.114 0.000 3.241 436 G HA2 0.369 4.329 3.960 0.000 0.000 0.199 436 G HA3 0.369 4.329 3.960 0.000 0.000 0.199 436 G C 0.898 175.896 174.900 0.163 0.000 1.210 436 G CA 0.333 45.525 45.100 0.153 0.000 1.182 436 G HN 1.420 nan 8.290 nan 0.000 0.508 437 G N -1.625 107.263 108.800 0.146 0.000 2.255 437 G HA2 0.517 4.477 3.960 0.000 0.000 0.216 437 G HA3 0.517 4.477 3.960 0.000 0.000 0.216 437 G C -0.609 174.103 174.900 -0.313 0.000 1.307 437 G CA -0.114 45.023 45.100 0.061 0.000 1.162 437 G HN 1.515 nan 8.290 nan 0.000 0.494 438 A N -1.362 121.211 122.820 -0.412 0.000 2.539 438 A HA 0.783 5.103 4.320 0.000 0.000 0.296 438 A C -1.683 175.842 177.584 -0.098 0.000 1.073 438 A CA -0.276 51.263 52.037 -0.829 0.000 0.700 438 A CB 2.029 19.969 19.000 -1.768 0.000 1.296 438 A HN 2.190 nan 8.150 nan 0.000 0.405 439 Y N 3.008 123.238 120.300 -0.117 0.000 2.400 439 Y HA 0.510 5.060 4.550 0.000 0.000 0.335 439 Y C -0.733 175.200 175.900 0.056 0.000 1.066 439 Y CA -1.995 56.115 58.100 0.018 0.000 1.285 439 Y CB 0.674 39.202 38.460 0.114 0.000 1.103 439 Y HN 0.790 nan 8.280 nan 0.000 0.490 440 I N 3.277 123.948 120.570 0.169 0.000 2.488 440 I HA 0.846 5.016 4.170 0.000 0.000 0.299 440 I C -1.283 174.912 176.117 0.131 0.000 0.984 440 I CA -0.996 60.320 61.300 0.026 0.000 1.250 440 I CB 1.896 39.938 38.000 0.070 0.000 1.389 440 I HN 0.186 nan 8.210 nan 0.000 0.488 441 V N 5.253 125.303 119.914 0.226 0.000 2.462 441 V HA 0.376 4.496 4.120 0.000 0.000 0.288 441 V C 0.047 176.354 176.094 0.354 0.000 1.020 441 V CA -0.510 61.943 62.300 0.255 0.000 0.857 441 V CB 0.696 32.520 31.823 0.002 0.000 1.013 441 V HN 0.810 nan 8.190 nan 0.000 0.431 442 H N 3.891 123.148 119.070 0.311 0.000 2.172 442 H HA 0.535 5.091 4.556 0.000 0.000 0.346 442 H C -0.567 174.710 175.328 -0.084 0.000 1.901 442 H CA 0.296 56.416 56.048 0.118 0.000 1.403 442 H CB 0.786 30.800 29.762 0.419 0.000 1.654 442 H HN 0.770 nan 8.280 nan 0.000 0.548 443 Y N -2.609 117.340 120.300 -0.585 0.000 2.721 443 Y HA 0.107 4.657 4.550 0.000 0.000 0.357 443 Y C -1.123 174.038 175.900 -1.232 0.000 1.183 443 Y CA -1.354 56.274 58.100 -0.787 0.000 1.231 443 Y CB 0.557 38.750 38.460 -0.445 0.000 1.390 443 Y HN 0.496 nan 8.280 nan 0.000 0.488 444 K N 4.167 124.048 120.400 -0.866 0.000 2.166 444 K HA -0.024 4.296 4.320 0.000 0.000 0.258 444 K C 0.047 176.323 176.600 -0.540 0.000 1.207 444 K CA 0.585 56.511 56.287 -0.601 0.000 1.227 444 K CB -0.077 31.999 32.500 -0.706 0.000 0.872 444 K HN 1.005 nan 8.250 nan 0.000 0.426 445 M N 3.939 123.085 119.600 -0.757 0.000 2.371 445 M HA 0.013 4.493 4.480 0.000 0.000 0.246 445 M C -0.265 175.912 176.300 -0.205 0.000 1.103 445 M CA 0.492 55.392 55.300 -0.665 0.000 1.010 445 M CB 0.203 32.270 32.600 -0.888 0.000 1.457 445 M HN 0.620 nan 8.290 nan 0.000 0.486 446 N N -0.559 118.067 118.700 -0.124 0.000 2.905 446 N HA 0.111 4.851 4.740 0.000 0.000 0.237 446 N C -0.271 175.227 175.510 -0.020 0.000 1.017 446 N CA -0.190 52.841 53.050 -0.032 0.000 1.127 446 N CB 0.125 38.622 38.487 0.017 0.000 1.608 446 N HN 0.083 nan 8.380 nan 0.000 0.522 447 N N 2.532 121.211 118.700 -0.034 0.000 2.470 447 N HA 0.129 4.869 4.740 0.000 0.000 0.268 447 N C -1.887 173.595 175.510 -0.046 0.000 1.136 447 N CA -1.429 51.605 53.050 -0.027 0.000 0.961 447 N CB 1.249 39.720 38.487 -0.025 0.000 1.067 447 N HN 0.196 nan 8.380 nan 0.000 0.468 448 P HA -0.116 nan 4.420 nan 0.000 0.226 448 P C -0.065 177.252 177.300 0.028 0.000 1.146 448 P CA 0.914 64.028 63.100 0.025 0.000 0.773 448 P CB 0.549 32.274 31.700 0.042 0.000 0.772 449 V N -0.719 119.200 119.914 0.008 0.000 3.007 449 V HA 0.359 4.479 4.120 0.000 0.000 0.311 449 V C -0.838 175.270 176.094 0.023 0.000 1.120 449 V CA -1.159 61.187 62.300 0.078 0.000 0.980 449 V CB 1.715 33.610 31.823 0.121 0.000 1.033 449 V HN -0.323 nan 8.190 nan 0.000 0.429 450 F N 4.091 124.076 119.950 0.057 0.000 2.636 450 F HA 0.198 4.725 4.527 -0.000 0.000 0.338 450 F C 1.098 176.910 175.800 0.020 0.000 1.305 450 F CA 0.509 58.542 58.000 0.056 0.000 1.138 450 F CB -0.684 38.333 39.000 0.029 0.000 1.579 450 F HN 0.652 nan 8.300 nan 0.000 0.679 451 E N 1.517 121.777 120.200 0.100 0.000 3.368 451 E HA 0.130 4.480 4.350 0.000 0.000 0.320 451 E C 0.099 176.724 176.600 0.041 0.000 1.507 451 E CA -0.035 56.400 56.400 0.058 0.000 1.600 451 E CB 0.397 30.114 29.700 0.029 0.000 1.117 451 E HN 0.237 nan 8.360 nan 0.000 0.726 452 M N 2.130 121.730 119.600 -0.001 0.000 1.988 452 M HA 0.087 4.567 4.480 0.000 0.000 0.243 452 M C -0.651 175.599 176.300 -0.083 0.000 0.897 452 M CA -0.320 54.951 55.300 -0.047 0.000 0.935 452 M CB 0.877 33.462 32.600 -0.025 0.000 1.956 452 M HN 0.581 nan 8.290 nan 0.000 0.389 453 T N 0.867 115.321 114.554 -0.166 0.000 2.946 453 T HA 0.370 4.720 4.350 0.000 0.000 0.312 453 T C 0.782 175.433 174.700 -0.082 0.000 1.066 453 T CA 1.396 63.413 62.100 -0.137 0.000 1.138 453 T CB 0.654 69.370 68.868 -0.254 0.000 1.014 453 T HN 0.868 nan 8.240 nan 0.000 0.544 454 G N 2.901 111.725 108.800 0.041 0.000 3.009 454 G HA2 0.228 4.188 3.960 0.000 0.000 0.183 454 G HA3 0.228 4.188 3.960 0.000 0.000 0.183 454 G C 0.695 175.648 174.900 0.089 0.000 1.613 454 G CA 0.466 45.610 45.100 0.074 0.000 0.910 454 G HN 0.682 nan 8.290 nan 0.000 0.785 455 E N 0.351 120.581 120.200 0.049 0.000 2.340 455 E HA 0.071 4.421 4.350 0.000 0.000 0.194 455 E C 1.833 178.496 176.600 0.104 0.000 0.996 455 E CA 1.188 57.618 56.400 0.049 0.000 0.869 455 E CB 0.052 29.752 29.700 -0.000 0.000 0.835 455 E HN 0.490 nan 8.360 nan 0.000 0.493 456 E N 1.407 121.655 120.200 0.079 0.000 2.181 456 E HA -0.301 4.049 4.350 0.000 0.000 0.225 456 E C -0.138 176.516 176.600 0.091 0.000 1.073 456 E CA 1.874 58.316 56.400 0.071 0.000 0.916 456 E CB -0.328 29.405 29.700 0.055 0.000 0.793 456 E HN 0.562 nan 8.360 nan 0.000 0.472 457 N N -0.954 117.827 118.700 0.134 0.000 2.707 457 N HA 0.222 4.962 4.740 0.000 0.000 0.249 457 N C -1.379 174.259 175.510 0.214 0.000 1.299 457 N CA -0.572 52.554 53.050 0.126 0.000 0.769 457 N CB 0.483 39.021 38.487 0.086 0.000 1.236 457 N HN 0.048 nan 8.380 nan 0.000 0.524 458 F N 1.467 121.448 119.950 0.052 0.000 2.551 458 F HA 0.842 5.369 4.527 -0.000 0.000 0.316 458 F C -0.044 175.778 175.800 0.036 0.000 1.089 458 F CA 0.219 58.265 58.000 0.077 0.000 0.915 458 F CB 2.033 41.077 39.000 0.073 0.000 1.186 458 F HN 0.523 nan 8.300 nan 0.000 0.456 459 G N 2.164 110.336 108.800 -1.047 0.000 2.399 459 G HA2 0.380 4.340 3.960 0.000 0.000 0.256 459 G HA3 0.380 4.340 3.960 0.000 0.000 0.256 459 G C -1.128 173.439 174.900 -0.555 0.000 1.236 459 G CA -0.297 44.348 45.100 -0.757 0.000 0.914 459 G HN 1.068 nan 8.290 nan 0.000 0.482 460 G N -0.201 108.397 108.800 -0.337 0.000 2.393 460 G HA2 0.513 4.473 3.960 0.000 0.000 0.311 460 G HA3 0.513 4.473 3.960 0.000 0.000 0.311 460 G C -0.509 174.234 174.900 -0.260 0.000 1.067 460 G CA -0.358 44.588 45.100 -0.256 0.000 1.000 460 G HN 0.389 nan 8.290 nan 0.000 0.422 461 F N 1.423 121.037 119.950 -0.560 0.000 2.519 461 F HA 0.089 4.616 4.527 0.000 0.000 0.381 461 F C 1.091 176.312 175.800 -0.965 0.000 1.076 461 F CA 0.359 57.871 58.000 -0.813 0.000 1.095 461 F CB 0.658 39.212 39.000 -0.743 0.000 1.046 461 F HN 0.428 nan 8.300 nan 0.000 0.559 462 Q N 5.757 125.069 119.800 -0.814 0.000 2.347 462 Q HA 0.398 4.738 4.340 0.000 0.000 0.265 462 Q C -1.607 174.052 176.000 -0.568 0.000 1.024 462 Q CA -0.489 54.974 55.803 -0.566 0.000 0.731 462 Q CB 0.709 29.275 28.738 -0.287 0.000 1.245 462 Q HN 0.410 nan 8.270 nan 0.000 0.472 463 F N 2.923 122.819 119.950 -0.091 0.000 2.403 463 F HA 0.512 5.039 4.527 0.000 0.000 0.326 463 F C 0.799 176.631 175.800 0.054 0.000 1.081 463 F CA -0.590 57.388 58.000 -0.036 0.000 1.041 463 F CB 0.903 39.828 39.000 -0.125 0.000 1.234 463 F HN 0.560 nan 8.300 nan 0.000 0.503 464 H N -0.643 118.565 119.070 0.230 0.000 2.931 464 H HA 0.646 5.202 4.556 0.000 0.000 0.331 464 H C -2.123 173.415 175.328 0.350 0.000 1.273 464 H CA -1.109 55.128 56.048 0.314 0.000 1.171 464 H CB 1.867 31.811 29.762 0.303 0.000 1.898 464 H HN 0.717 nan 8.280 nan 0.000 0.562 465 Y N -0.227 120.108 120.300 0.058 0.000 2.774 465 Y HA 0.306 4.856 4.550 0.000 0.000 0.346 465 Y C -2.926 173.027 175.900 0.088 0.000 1.222 465 Y CA -1.782 56.306 58.100 -0.020 0.000 1.088 465 Y CB 1.523 39.997 38.460 0.024 0.000 1.354 465 Y HN 0.594 nan 8.280 nan 0.000 0.455 466 P HA 0.329 nan 4.420 nan 0.000 0.271 466 P C 0.424 177.699 177.300 -0.042 0.000 1.218 466 P CA 1.729 64.713 63.100 -0.193 0.000 0.780 466 P CB 1.215 32.715 31.700 -0.333 0.000 0.901 467 G N 2.082 110.907 108.800 0.041 0.000 3.757 467 G HA2 -0.312 3.648 3.960 0.000 0.000 0.215 467 G HA3 -0.312 3.648 3.960 0.000 0.000 0.215 467 G C -0.048 174.951 174.900 0.165 0.000 1.411 467 G CA 0.124 45.280 45.100 0.095 0.000 0.896 467 G HN 0.625 nan 8.290 nan 0.000 0.581 468 Y N 5.092 125.467 120.300 0.126 0.000 2.881 468 Y HA 0.366 4.916 4.550 0.000 0.000 0.335 468 Y C 0.444 176.401 175.900 0.095 0.000 1.263 468 Y CA -0.047 58.128 58.100 0.126 0.000 1.572 468 Y CB 0.372 38.938 38.460 0.177 0.000 1.237 468 Y HN 0.529 nan 8.280 nan 0.000 0.568 469 D N 7.725 127.803 120.400 -0.537 0.000 2.278 469 D HA 0.196 4.836 4.640 0.000 0.000 0.245 469 D C -2.565 173.192 176.300 -0.905 0.000 1.052 469 D CA -2.317 51.386 54.000 -0.494 0.000 0.834 469 D CB 2.194 42.854 40.800 -0.234 0.000 1.194 469 D HN 0.365 nan 8.370 nan 0.000 0.481 470 P HA -0.067 nan 4.420 nan 0.000 0.242 470 P C 0.880 178.043 177.300 -0.229 0.000 1.197 470 P CA 0.304 63.163 63.100 -0.401 0.000 0.765 470 P CB 0.541 32.137 31.700 -0.173 0.000 0.936 471 E N 2.487 122.553 120.200 -0.223 0.000 2.219 471 E HA -0.161 4.189 4.350 0.000 0.000 0.198 471 E C 1.273 177.828 176.600 -0.075 0.000 0.998 471 E CA 1.158 57.488 56.400 -0.117 0.000 0.818 471 E CB -0.635 29.007 29.700 -0.097 0.000 0.741 471 E HN 0.337 nan 8.360 nan 0.000 0.477 472 N N 0.065 118.713 118.700 -0.087 0.000 2.320 472 N HA -0.001 4.739 4.740 0.000 0.000 0.237 472 N C -0.499 175.046 175.510 0.059 0.000 1.129 472 N CA -0.177 52.877 53.050 0.006 0.000 0.854 472 N CB -0.107 38.408 38.487 0.048 0.000 1.083 472 N HN -0.099 nan 8.380 nan 0.000 0.504 473 N N 1.297 120.018 118.700 0.037 0.000 2.472 473 N HA 0.255 4.995 4.740 0.000 0.000 0.277 473 N C -0.290 175.234 175.510 0.023 0.000 1.081 473 N CA -0.188 52.904 53.050 0.071 0.000 0.973 473 N CB 1.749 40.276 38.487 0.067 0.000 1.105 473 N HN 0.332 nan 8.380 nan 0.000 0.470 474 A N 2.898 125.725 122.820 0.011 0.000 2.540 474 A HA 0.040 4.360 4.320 0.000 0.000 0.239 474 A C 1.397 178.966 177.584 -0.025 0.000 1.061 474 A CA 0.136 52.167 52.037 -0.010 0.000 0.758 474 A CB 0.017 18.996 19.000 -0.034 0.000 0.991 474 A HN 0.790 nan 8.150 nan 0.000 0.502 475 L N 2.541 123.755 121.223 -0.016 0.000 2.492 475 L HA 0.123 4.463 4.340 0.000 0.000 0.223 475 L C 1.659 178.504 176.870 -0.042 0.000 1.132 475 L CA 0.646 55.474 54.840 -0.020 0.000 0.850 475 L CB -0.490 41.570 42.059 0.002 0.000 0.966 475 L HN 0.787 nan 8.230 nan 0.000 0.454 476 G N -0.566 108.192 108.800 -0.069 0.000 2.522 476 G HA2 0.382 4.342 3.960 0.000 0.000 0.304 476 G HA3 0.382 4.342 3.960 0.000 0.000 0.304 476 G C -0.883 173.892 174.900 -0.208 0.000 1.210 476 G CA -0.646 44.375 45.100 -0.131 0.000 0.960 476 G HN -0.112 nan 8.290 nan 0.000 0.497 477 L N 1.166 122.185 121.223 -0.341 0.000 2.623 477 L HA 0.275 4.615 4.340 0.000 0.000 0.281 477 L C 0.821 177.473 176.870 -0.364 0.000 1.150 477 L CA 0.163 54.797 54.840 -0.344 0.000 0.965 477 L CB -1.292 40.537 42.059 -0.383 0.000 1.303 477 L HN 0.463 nan 8.230 nan 0.000 0.467 478 R N 2.749 123.115 120.500 -0.222 0.000 3.076 478 R HA 0.856 5.196 4.340 0.000 0.000 0.239 478 R C 0.158 176.384 176.300 -0.124 0.000 1.392 478 R CA -0.733 55.273 56.100 -0.157 0.000 1.044 478 R CB 0.604 30.825 30.300 -0.131 0.000 1.389 478 R HN 0.682 nan 8.270 nan 0.000 0.498 479 G N 0.612 109.363 108.800 -0.081 0.000 2.782 479 G HA2 -0.235 3.725 3.960 0.000 0.000 0.228 479 G HA3 -0.235 3.725 3.960 0.000 0.000 0.228 479 G C -0.255 174.561 174.900 -0.140 0.000 1.372 479 G CA -0.752 44.286 45.100 -0.102 0.000 0.862 479 G HN 0.477 nan 8.290 nan 0.000 0.547 480 I N 0.653 121.044 120.570 -0.298 0.000 2.471 480 I HA 0.140 4.310 4.170 0.000 0.000 0.294 480 I C 0.904 176.414 176.117 -1.012 0.000 1.123 480 I CA -0.081 60.711 61.300 -0.848 0.000 1.336 480 I CB 0.376 37.878 38.000 -0.830 0.000 1.430 480 I HN 0.272 nan 8.210 nan 0.000 0.533 481 V N 6.958 126.098 119.914 -1.290 0.000 2.338 481 V HA 0.169 4.289 4.120 0.000 0.000 0.255 481 V C -0.033 175.777 176.094 -0.472 0.000 1.082 481 V CA 0.360 62.295 62.300 -0.608 0.000 0.951 481 V CB 0.525 32.304 31.823 -0.074 0.000 1.102 481 V HN 0.740 nan 8.190 nan 0.000 0.489 482 D N 2.348 122.495 120.400 -0.423 0.000 2.838 482 D HA 0.484 5.124 4.640 0.000 0.000 0.334 482 D C -0.782 175.655 176.300 0.228 0.000 1.315 482 D CA -0.280 53.716 54.000 -0.006 0.000 0.917 482 D CB 2.049 42.744 40.800 -0.175 0.000 1.435 482 D HN 0.345 nan 8.370 nan 0.000 0.517 483 T N 0.767 115.631 114.554 0.517 0.000 2.772 483 T HA 0.407 4.757 4.350 0.000 0.000 0.288 483 T C -0.587 174.473 174.700 0.599 0.000 0.994 483 T CA -0.377 62.067 62.100 0.574 0.000 0.951 483 T CB 0.215 69.410 68.868 0.545 0.000 0.933 483 T HN 0.219 nan 8.240 nan 0.000 0.447 484 F N 3.216 123.382 119.950 0.361 0.000 2.445 484 F HA 0.209 4.736 4.527 0.000 0.000 0.359 484 F C 1.151 177.122 175.800 0.285 0.000 1.101 484 F CA -0.721 57.481 58.000 0.336 0.000 1.177 484 F CB 0.675 39.701 39.000 0.044 0.000 1.110 484 F HN 0.459 nan 8.300 nan 0.000 0.522 485 E N 7.152 127.359 120.200 0.012 0.000 2.214 485 E HA -0.184 4.166 4.350 0.000 0.000 0.291 485 E C 1.280 177.948 176.600 0.114 0.000 1.137 485 E CA 0.260 56.628 56.400 -0.054 0.000 1.175 485 E CB -0.692 28.920 29.700 -0.147 0.000 1.071 485 E HN 0.890 nan 8.360 nan 0.000 0.467 486 N N 2.896 121.728 118.700 0.220 0.000 1.200 486 N HA -0.313 4.427 4.740 0.000 0.000 0.113 486 N C 0.203 175.858 175.510 0.242 0.000 0.317 486 N CA 2.096 55.287 53.050 0.235 0.000 0.854 486 N CB -0.529 38.018 38.487 0.101 0.000 0.794 486 N HN 0.498 nan 8.380 nan 0.000 1.352 487 N N 0.970 119.760 118.700 0.150 0.000 2.448 487 N HA 0.253 4.993 4.740 0.000 0.000 0.250 487 N C -1.131 174.548 175.510 0.281 0.000 1.136 487 N CA 0.182 53.313 53.050 0.135 0.000 0.953 487 N CB 0.075 38.581 38.487 0.033 0.000 1.251 487 N HN 0.380 nan 8.380 nan 0.000 0.502 488 F N 0.378 120.336 119.950 0.012 0.000 2.648 488 F HA 0.002 4.529 4.527 0.000 0.000 0.312 488 F C -0.433 175.402 175.800 0.058 0.000 1.028 488 F CA -0.849 57.154 58.000 0.005 0.000 1.035 488 F CB 0.684 39.736 39.000 0.086 0.000 1.278 488 F HN 0.416 nan 8.300 nan 0.000 0.508 489 S N 2.723 118.327 115.700 -0.159 0.000 2.537 489 S HA 0.489 4.959 4.470 0.000 0.000 0.286 489 S C -0.020 174.673 174.600 0.155 0.000 1.299 489 S CA 0.059 58.222 58.200 -0.062 0.000 1.067 489 S CB 0.894 63.912 63.200 -0.303 0.000 0.864 489 S HN 1.037 nan 8.310 nan 0.000 0.494 490 S N 2.746 118.564 115.700 0.196 0.000 2.457 490 S HA 0.771 5.241 4.470 0.000 0.000 0.289 490 S C -0.075 174.430 174.600 -0.159 0.000 1.163 490 S CA -0.558 57.747 58.200 0.175 0.000 1.078 490 S CB 1.102 64.633 63.200 0.551 0.000 0.987 490 S HN 1.306 nan 8.310 nan 0.000 0.482 491 A N 2.835 125.434 122.820 -0.368 0.000 2.309 491 A HA 0.900 5.220 4.320 0.000 0.000 0.317 491 A C -0.794 176.637 177.584 -0.254 0.000 1.134 491 A CA -0.927 50.878 52.037 -0.386 0.000 0.866 491 A CB 1.370 19.933 19.000 -0.727 0.000 1.329 491 A HN 0.950 nan 8.150 nan 0.000 0.477 492 V N 0.313 120.070 119.914 -0.263 0.000 2.638 492 V HA 0.524 4.644 4.120 0.000 0.000 0.306 492 V C -1.051 174.821 176.094 -0.369 0.000 1.052 492 V CA -0.387 61.733 62.300 -0.299 0.000 0.885 492 V CB 1.849 33.501 31.823 -0.285 0.000 0.999 492 V HN 0.680 nan 8.190 nan 0.000 0.424 493 V N 4.556 124.211 119.914 -0.431 0.000 2.409 493 V HA 0.497 4.617 4.120 0.000 0.000 0.290 493 V C -0.788 175.073 176.094 -0.388 0.000 1.017 493 V CA -0.722 61.347 62.300 -0.385 0.000 0.841 493 V CB 1.518 33.054 31.823 -0.477 0.000 1.003 493 V HN 0.817 nan 8.190 nan 0.000 0.426 494 H N 4.484 123.491 119.070 -0.105 0.000 2.488 494 H HA 0.505 5.061 4.556 0.000 0.000 0.322 494 H C -1.169 174.056 175.328 -0.172 0.000 1.078 494 H CA -0.681 55.341 56.048 -0.044 0.000 1.260 494 H CB 1.494 31.331 29.762 0.125 0.000 1.425 494 H HN 0.482 nan 8.280 nan 0.000 0.471 495 F N 2.547 122.454 119.950 -0.071 0.000 2.375 495 F HA 0.181 4.708 4.527 0.000 0.000 0.361 495 F C -0.395 175.271 175.800 -0.223 0.000 1.117 495 F CA -0.687 57.254 58.000 -0.098 0.000 1.037 495 F CB 0.801 39.672 39.000 -0.214 0.000 1.192 495 F HN 0.424 nan 8.300 nan 0.000 0.452 496 W N 1.990 123.375 121.300 0.141 0.000 2.520 496 W HA 0.536 5.196 4.660 0.000 0.000 0.323 496 W C 0.615 177.237 176.519 0.172 0.000 1.062 496 W CA -0.835 56.610 57.345 0.167 0.000 1.215 496 W CB 1.969 31.612 29.460 0.305 0.000 1.340 496 W HN 0.778 nan 8.180 nan 0.000 0.516 497 G N 3.434 112.371 108.800 0.229 0.000 2.351 497 G HA2 -0.298 3.662 3.960 0.000 0.000 0.297 497 G HA3 -0.298 3.662 3.960 0.000 0.000 0.297 497 G C -0.445 174.568 174.900 0.188 0.000 1.054 497 G CA -0.475 44.753 45.100 0.214 0.000 1.123 497 G HN 0.462 nan 8.290 nan 0.000 0.512 498 I N 0.176 120.762 120.570 0.026 0.000 2.488 498 I HA 0.344 4.514 4.170 0.000 0.000 0.299 498 I C 1.163 177.473 176.117 0.322 0.000 0.984 498 I CA -0.509 60.873 61.300 0.136 0.000 1.250 498 I CB 1.691 39.545 38.000 -0.242 0.000 1.389 498 I HN 0.285 nan 8.210 nan 0.000 0.488 499 S N 3.513 119.446 115.700 0.388 0.000 2.516 499 S HA -0.026 4.444 4.470 0.000 0.000 0.282 499 S C 0.860 175.697 174.600 0.395 0.000 1.286 499 S CA -0.258 58.138 58.200 0.326 0.000 1.066 499 S CB 0.841 64.155 63.200 0.190 0.000 0.884 499 S HN 0.625 nan 8.310 nan 0.000 0.491 500 Q N 3.961 123.882 119.800 0.202 0.000 2.084 500 Q HA -0.208 4.132 4.340 0.000 0.000 0.215 500 Q C 1.742 177.597 176.000 -0.241 0.000 1.020 500 Q CA 2.833 58.518 55.803 -0.197 0.000 0.887 500 Q CB -0.673 27.974 28.738 -0.151 0.000 0.975 500 Q HN 0.878 nan 8.270 nan 0.000 0.413 501 S N -1.070 114.584 115.700 -0.077 0.000 2.805 501 S HA 0.385 4.855 4.470 0.000 0.000 0.230 501 S C 0.178 174.757 174.600 -0.035 0.000 0.968 501 S CA 0.112 58.271 58.200 -0.068 0.000 0.976 501 S CB -0.274 62.904 63.200 -0.035 0.000 0.787 501 S HN 0.477 nan 8.310 nan 0.000 0.533 502 A N 1.364 124.204 122.820 0.033 0.000 2.413 502 A HA 0.808 5.128 4.320 0.000 0.000 0.307 502 A C 0.083 177.747 177.584 0.133 0.000 1.087 502 A CA -0.687 51.351 52.037 0.001 0.000 0.750 502 A CB 1.481 20.418 19.000 -0.106 0.000 1.296 502 A HN 0.377 nan 8.150 nan 0.000 0.423 503 T N -1.797 112.773 114.554 0.027 0.000 2.887 503 T HA 0.702 5.052 4.350 0.000 0.000 0.292 503 T C -1.011 173.701 174.700 0.020 0.000 1.087 503 T CA -0.511 61.671 62.100 0.136 0.000 1.009 503 T CB 1.061 69.974 68.868 0.075 0.000 1.203 503 T HN 0.331 nan 8.240 nan 0.000 0.518 504 I N 2.208 122.821 120.570 0.071 0.000 2.359 504 I HA 0.362 4.532 4.170 0.000 0.000 0.284 504 I C -0.193 175.885 176.117 -0.065 0.000 1.018 504 I CA -1.056 60.203 61.300 -0.068 0.000 1.173 504 I CB 1.326 39.235 38.000 -0.151 0.000 1.326 504 I HN 0.579 nan 8.210 nan 0.000 0.462 505 V N 5.439 125.295 119.914 -0.097 0.000 2.488 505 V HA 0.161 4.281 4.120 0.000 0.000 0.277 505 V C -0.024 175.951 176.094 -0.198 0.000 1.046 505 V CA -0.396 61.839 62.300 -0.108 0.000 0.986 505 V CB 0.710 32.479 31.823 -0.091 0.000 0.989 505 V HN 0.767 nan 8.190 nan 0.000 0.475 506 C N 5.975 125.134 119.300 -0.234 0.000 2.317 506 C HA 0.405 4.865 4.460 0.000 0.000 0.306 506 C C 0.501 175.295 174.990 -0.326 0.000 1.087 506 C CA -1.308 57.458 59.018 -0.420 0.000 1.529 506 C CB -0.743 26.687 27.740 -0.516 0.000 1.880 506 C HN 0.971 nan 8.230 nan 0.000 0.417 507 K N 1.217 121.428 120.400 -0.315 0.000 2.267 507 K HA 0.496 4.816 4.320 0.000 0.000 0.282 507 K C -0.045 176.398 176.600 -0.261 0.000 1.078 507 K CA 0.107 56.237 56.287 -0.261 0.000 0.903 507 K CB 0.665 33.039 32.500 -0.210 0.000 1.111 507 K HN 0.583 nan 8.250 nan 0.000 0.475 508 T N 0.853 115.264 114.554 -0.238 0.000 2.829 508 T HA 0.262 4.612 4.350 0.000 0.000 0.282 508 T C -0.624 173.990 174.700 -0.142 0.000 0.990 508 T CA -0.650 61.369 62.100 -0.136 0.000 1.028 508 T CB 0.477 69.298 68.868 -0.079 0.000 0.951 508 T HN 0.572 nan 8.240 nan 0.000 0.460 509 Y N 1.815 122.132 120.300 0.028 0.000 2.723 509 Y HA 0.290 4.840 4.550 0.000 0.000 0.374 509 Y C 0.679 176.663 175.900 0.139 0.000 1.062 509 Y CA -0.970 57.192 58.100 0.104 0.000 1.321 509 Y CB 0.265 38.804 38.460 0.132 0.000 1.405 509 Y HN 0.758 nan 8.280 nan 0.000 0.583 510 D N 0.973 121.433 120.400 0.101 0.000 2.350 510 D HA 0.383 5.023 4.640 0.000 0.000 0.249 510 D C 0.016 176.240 176.300 -0.126 0.000 1.119 510 D CA 0.299 54.285 54.000 -0.023 0.000 0.886 510 D CB 1.567 42.371 40.800 0.006 0.000 1.195 510 D HN 0.585 nan 8.370 nan 0.000 0.437 511 G N 2.921 111.448 108.800 -0.455 0.000 2.667 511 G HA2 0.606 4.566 3.960 0.000 0.000 0.298 511 G HA3 0.606 4.566 3.960 0.000 0.000 0.298 511 G C -1.250 173.620 174.900 -0.050 0.000 1.377 511 G CA -0.895 43.978 45.100 -0.379 0.000 0.964 511 G HN 0.499 nan 8.290 nan 0.000 0.493 512 W N 0.535 121.840 121.300 0.008 0.000 3.062 512 W HA 0.813 5.473 4.660 0.000 0.000 0.336 512 W C -1.577 175.056 176.519 0.189 0.000 1.224 512 W CA -1.305 56.135 57.345 0.157 0.000 1.159 512 W CB 1.510 31.181 29.460 0.351 0.000 1.454 512 W HN 0.583 nan 8.180 nan 0.000 0.569 513 E N 0.550 120.926 120.200 0.293 0.000 2.224 513 E HA 0.593 4.943 4.350 0.000 0.000 0.265 513 E C -0.391 176.427 176.600 0.363 0.000 0.878 513 E CA -0.392 56.060 56.400 0.087 0.000 0.759 513 E CB 2.261 31.982 29.700 0.035 0.000 1.164 513 E HN 0.743 nan 8.360 nan 0.000 0.414 514 G N 1.106 110.102 108.800 0.325 0.000 2.866 514 G HA2 0.599 4.559 3.960 0.000 0.000 0.289 514 G HA3 0.599 4.559 3.960 0.000 0.000 0.289 514 G C -0.949 174.051 174.900 0.167 0.000 1.396 514 G CA -0.582 44.767 45.100 0.416 0.000 0.848 514 G HN 0.439 nan 8.290 nan 0.000 0.515 515 T N -2.367 112.257 114.554 0.115 0.000 2.887 515 T HA 0.701 5.051 4.350 0.000 0.000 0.288 515 T C -0.500 174.302 174.700 0.170 0.000 1.021 515 T CA -0.592 61.507 62.100 -0.001 0.000 1.000 515 T CB 1.779 70.543 68.868 -0.175 0.000 1.034 515 T HN 0.505 nan 8.240 nan 0.000 0.467 516 T N 2.555 117.294 114.554 0.307 0.000 2.794 516 T HA 0.389 4.739 4.350 0.000 0.000 0.280 516 T C 0.833 175.657 174.700 0.208 0.000 0.987 516 T CA -0.719 61.529 62.100 0.246 0.000 0.993 516 T CB 1.627 70.638 68.868 0.238 0.000 0.939 516 T HN 0.782 nan 8.240 nan 0.000 0.449 517 N N 1.322 120.095 118.700 0.122 0.000 2.571 517 N HA 0.348 5.088 4.740 0.000 0.000 0.195 517 N C -0.125 175.415 175.510 0.050 0.000 1.040 517 N CA 0.154 53.254 53.050 0.084 0.000 0.890 517 N CB 0.490 39.009 38.487 0.053 0.000 1.233 517 N HN 0.800 nan 8.380 nan 0.000 0.435 518 A N -1.066 121.781 122.820 0.045 0.000 2.488 518 A HA 0.782 5.102 4.320 0.000 0.000 0.298 518 A C -0.309 177.296 177.584 0.036 0.000 1.044 518 A CA -0.112 51.941 52.037 0.028 0.000 0.693 518 A CB 1.325 20.334 19.000 0.014 0.000 1.272 518 A HN 0.440 nan 8.150 nan 0.000 0.402 519 G N -0.660 108.157 108.800 0.028 0.000 2.325 519 G HA2 0.585 4.545 3.960 0.000 0.000 0.295 519 G HA3 0.585 4.545 3.960 0.000 0.000 0.295 519 G C 0.093 175.004 174.900 0.019 0.000 1.274 519 G CA 0.678 45.800 45.100 0.036 0.000 0.857 519 G HN 1.871 nan 8.290 nan 0.000 0.499 520 S N -2.810 112.904 115.700 0.022 0.000 2.661 520 S HA 0.274 4.745 4.470 0.000 0.000 0.275 520 S C 1.072 175.673 174.600 0.001 0.000 1.075 520 S CA 1.267 59.468 58.200 0.003 0.000 1.251 520 S CB 0.995 64.196 63.200 0.002 0.000 1.167 520 S HN 0.654 nan 8.310 nan 0.000 0.648 521 T N 1.542 116.119 114.554 0.038 0.000 3.075 521 T HA 0.269 4.619 4.350 0.000 0.000 0.251 521 T C 1.673 176.449 174.700 0.128 0.000 0.979 521 T CA 0.760 62.896 62.100 0.060 0.000 1.033 521 T CB 0.042 68.975 68.868 0.109 0.000 1.104 521 T HN 0.141 nan 8.240 nan 0.000 0.473 522 V N 1.960 122.000 119.914 0.211 0.000 2.307 522 V HA 0.011 4.131 4.120 0.000 0.000 0.245 522 V C 2.663 178.915 176.094 0.264 0.000 1.045 522 V CA 1.956 64.478 62.300 0.370 0.000 1.024 522 V CB -1.307 30.708 31.823 0.320 0.000 0.651 522 V HN 0.581 nan 8.190 nan 0.000 0.449 523 G N -0.867 108.003 108.800 0.117 0.000 3.024 523 G HA2 -0.211 3.749 3.960 0.000 0.000 0.202 523 G HA3 -0.211 3.749 3.960 0.000 0.000 0.202 523 G C 1.244 176.079 174.900 -0.108 0.000 1.195 523 G CA 0.631 45.756 45.100 0.042 0.000 0.924 523 G HN 0.583 nan 8.290 nan 0.000 0.500 524 Q N -0.499 119.137 119.800 -0.274 0.000 2.200 524 Q HA 0.066 4.406 4.340 0.000 0.000 0.197 524 Q C 1.112 176.804 176.000 -0.513 0.000 0.953 524 Q CA 0.413 55.902 55.803 -0.523 0.000 0.851 524 Q CB 0.078 28.294 28.738 -0.870 0.000 0.938 524 Q HN 0.501 nan 8.270 nan 0.000 0.488 525 F N 0.687 120.606 119.950 -0.052 0.000 2.663 525 F HA 0.454 4.981 4.527 0.000 0.000 0.299 525 F C 0.328 176.061 175.800 -0.111 0.000 1.143 525 F CA -0.582 57.395 58.000 -0.040 0.000 1.387 525 F CB -0.599 38.451 39.000 0.082 0.000 1.019 525 F HN -0.080 nan 8.300 nan 0.000 0.523 526 A N 0.258 123.070 122.820 -0.014 0.000 2.404 526 A HA 0.513 4.833 4.320 0.000 0.000 0.273 526 A C -0.407 177.051 177.584 -0.211 0.000 1.144 526 A CA 0.073 52.137 52.037 0.045 0.000 0.806 526 A CB -0.236 18.854 19.000 0.150 0.000 1.080 526 A HN 0.548 nan 8.150 nan 0.000 0.509 527 H N 0.064 119.219 119.070 0.142 0.000 3.436 527 H HA 0.549 5.105 4.556 0.000 0.000 0.312 527 H C 0.205 175.598 175.328 0.109 0.000 1.675 527 H CA -0.349 55.758 56.048 0.098 0.000 1.361 527 H CB 0.877 30.672 29.762 0.056 0.000 1.731 527 H HN 0.533 nan 8.280 nan 0.000 0.732 528 T N 0.319 115.010 114.554 0.229 0.000 2.904 528 T HA 0.334 4.684 4.350 0.000 0.000 0.290 528 T C 0.788 175.531 174.700 0.071 0.000 1.018 528 T CA -0.113 62.067 62.100 0.132 0.000 1.075 528 T CB 0.629 69.552 68.868 0.090 0.000 0.986 528 T HN 0.690 nan 8.240 nan 0.000 0.523 529 G N 0.758 109.575 108.800 0.029 0.000 2.690 529 G HA2 0.443 4.403 3.960 0.000 0.000 0.239 529 G HA3 0.443 4.403 3.960 0.000 0.000 0.239 529 G C 0.190 175.061 174.900 -0.048 0.000 1.233 529 G CA -0.446 44.637 45.100 -0.028 0.000 0.847 529 G HN 0.987 nan 8.290 nan 0.000 0.588 530 A N 0.439 123.201 122.820 -0.098 0.000 2.425 530 A HA 0.382 4.702 4.320 0.000 0.000 0.242 530 A C 0.639 178.159 177.584 -0.106 0.000 1.077 530 A CA -0.194 51.772 52.037 -0.118 0.000 0.781 530 A CB 0.264 19.140 19.000 -0.208 0.000 1.020 530 A HN 0.591 nan 8.150 nan 0.000 0.494 531 E N 1.236 121.386 120.200 -0.084 0.000 2.299 531 E HA 0.026 4.376 4.350 0.000 0.000 0.272 531 E C 0.201 176.747 176.600 -0.089 0.000 1.043 531 E CA 0.042 56.402 56.400 -0.067 0.000 0.895 531 E CB 0.643 30.317 29.700 -0.044 0.000 1.011 531 E HN 0.717 nan 8.360 nan 0.000 0.432 532 E N 3.783 123.935 120.200 -0.080 0.000 2.734 532 E HA -0.153 4.197 4.350 0.000 0.000 0.235 532 E C -0.549 176.011 176.600 -0.067 0.000 1.107 532 E CA 0.580 56.931 56.400 -0.083 0.000 0.951 532 E CB 0.210 29.877 29.700 -0.054 0.000 0.955 532 E HN 0.144 nan 8.360 nan 0.000 0.515 533 E N 5.214 125.364 120.200 -0.084 0.000 2.546 533 E HA 0.051 4.401 4.350 0.000 0.000 0.227 533 E C -0.340 176.243 176.600 -0.029 0.000 1.009 533 E CA -0.330 56.040 56.400 -0.051 0.000 0.813 533 E CB 0.859 30.530 29.700 -0.048 0.000 1.269 533 E HN 0.628 nan 8.360 nan 0.000 0.432 534 D N 2.452 122.846 120.400 -0.011 0.000 2.182 534 D HA -0.246 4.394 4.640 0.000 0.000 0.193 534 D C 1.627 177.953 176.300 0.043 0.000 0.999 534 D CA 1.473 55.484 54.000 0.019 0.000 0.850 534 D CB 0.201 41.013 40.800 0.020 0.000 0.994 534 D HN 0.461 nan 8.370 nan 0.000 0.450 535 E N 1.539 121.753 120.200 0.023 0.000 2.132 535 E HA -0.236 4.114 4.350 0.000 0.000 0.218 535 E C 2.474 179.092 176.600 0.030 0.000 1.058 535 E CA 1.285 57.697 56.400 0.019 0.000 0.882 535 E CB -1.293 28.400 29.700 -0.012 0.000 0.774 535 E HN 0.245 nan 8.360 nan 0.000 0.467 536 V N 2.168 122.083 119.914 0.002 0.000 2.239 536 V HA -0.337 3.783 4.120 0.000 0.000 0.246 536 V C 2.859 179.104 176.094 0.252 0.000 1.037 536 V CA 2.495 64.797 62.300 0.003 0.000 1.012 536 V CB -1.067 30.784 31.823 0.046 0.000 0.650 536 V HN 0.167 nan 8.190 nan 0.000 0.467 537 V N -0.422 119.679 119.914 0.313 0.000 2.250 537 V HA -0.425 3.695 4.120 0.000 0.000 0.253 537 V C 2.467 178.780 176.094 0.367 0.000 1.065 537 V CA 2.709 65.265 62.300 0.426 0.000 1.039 537 V CB -0.940 30.983 31.823 0.166 0.000 0.647 537 V HN 0.671 nan 8.190 nan 0.000 0.446 538 Q N -0.412 119.523 119.800 0.225 0.000 2.028 538 Q HA -0.300 4.040 4.340 0.000 0.000 0.213 538 Q C 2.024 178.148 176.000 0.207 0.000 1.017 538 Q CA 2.826 58.736 55.803 0.179 0.000 0.875 538 Q CB -0.774 28.030 28.738 0.110 0.000 0.962 538 Q HN 0.546 nan 8.270 nan 0.000 0.413 539 L N 0.125 121.478 121.223 0.215 0.000 1.971 539 L HA -0.152 4.188 4.340 0.000 0.000 0.215 539 L C 2.172 179.244 176.870 0.336 0.000 1.072 539 L CA 2.729 57.716 54.840 0.245 0.000 0.758 539 L CB -1.559 40.631 42.059 0.218 0.000 0.889 539 L HN 0.331 nan 8.230 nan 0.000 0.433 540 A N -0.187 122.964 122.820 0.552 0.000 1.896 540 A HA -0.372 3.948 4.320 0.000 0.000 0.220 540 A C 2.104 179.839 177.584 0.251 0.000 1.206 540 A CA 2.688 54.914 52.037 0.316 0.000 0.647 540 A CB -1.384 17.918 19.000 0.503 0.000 0.828 540 A HN 0.747 nan 8.150 nan 0.000 0.455 541 N N -1.290 117.620 118.700 0.351 0.000 2.166 541 N HA -0.157 4.583 4.740 0.000 0.000 0.186 541 N C 1.928 177.485 175.510 0.077 0.000 1.019 541 N CA 1.458 54.663 53.050 0.258 0.000 0.856 541 N CB -0.171 38.477 38.487 0.268 0.000 0.993 541 N HN 0.455 nan 8.380 nan 0.000 0.426 542 R N 0.878 121.429 120.500 0.085 0.000 2.070 542 R HA 0.027 4.367 4.340 0.000 0.000 0.233 542 R C 1.969 178.241 176.300 -0.046 0.000 1.137 542 R CA 1.010 57.125 56.100 0.025 0.000 0.945 542 R CB -0.504 29.827 30.300 0.052 0.000 0.845 542 R HN 0.204 nan 8.270 nan 0.000 0.430 543 L N 0.463 121.656 121.223 -0.051 0.000 2.079 543 L HA -0.270 4.070 4.340 0.000 0.000 0.210 543 L C 2.311 179.038 176.870 -0.239 0.000 1.081 543 L CA 1.151 55.915 54.840 -0.127 0.000 0.752 543 L CB -0.677 41.289 42.059 -0.155 0.000 0.896 543 L HN 0.285 nan 8.230 nan 0.000 0.433 544 Q N -0.188 119.409 119.800 -0.337 0.000 1.917 544 Q HA -0.233 4.107 4.340 0.000 0.000 0.205 544 Q C 2.171 177.800 176.000 -0.618 0.000 0.988 544 Q CA 1.586 56.998 55.803 -0.651 0.000 0.851 544 Q CB -0.849 27.313 28.738 -0.961 0.000 0.916 544 Q HN 0.415 nan 8.270 nan 0.000 0.424 545 M N 1.014 120.317 119.600 -0.495 0.000 2.192 545 M HA -0.271 4.209 4.480 0.000 0.000 0.256 545 M C 1.485 177.679 176.300 -0.176 0.000 1.076 545 M CA 1.989 57.135 55.300 -0.257 0.000 1.075 545 M CB -0.276 32.266 32.600 -0.098 0.000 1.368 545 M HN 0.152 nan 8.290 nan 0.000 0.406 546 E N 0.513 120.610 120.200 -0.172 0.000 2.072 546 E HA 0.094 4.444 4.350 0.000 0.000 0.191 546 E C 0.861 177.399 176.600 -0.104 0.000 0.985 546 E CA 0.864 57.197 56.400 -0.111 0.000 0.801 546 E CB 0.018 29.661 29.700 -0.095 0.000 0.750 546 E HN 0.622 nan 8.360 nan 0.000 0.452 547 L N -0.987 120.151 121.223 -0.141 0.000 2.544 547 L HA 0.252 4.592 4.340 0.000 0.000 0.256 547 L C 1.566 178.408 176.870 -0.047 0.000 1.097 547 L CA 0.215 55.018 54.840 -0.061 0.000 0.812 547 L CB 0.797 42.844 42.059 -0.020 0.000 1.440 547 L HN 0.054 nan 8.230 nan 0.000 0.496 548 T N -3.234 111.340 114.554 0.035 0.000 3.010 548 T HA 0.137 4.487 4.350 0.000 0.000 0.252 548 T C 1.290 175.968 174.700 -0.037 0.000 1.047 548 T CA 0.502 62.597 62.100 -0.007 0.000 1.140 548 T CB 0.210 69.074 68.868 -0.006 0.000 0.885 548 T HN 0.945 nan 8.240 nan 0.000 0.464 549 G N 1.418 110.097 108.800 -0.201 0.000 2.179 549 G HA2 -0.218 3.742 3.960 0.000 0.000 0.260 549 G HA3 -0.218 3.742 3.960 0.000 0.000 0.260 549 G C 0.160 174.745 174.900 -0.525 0.000 0.977 549 G CA 0.161 45.116 45.100 -0.242 0.000 0.641 549 G HN 1.439 nan 8.290 nan 0.000 0.533 550 V N -2.104 117.285 119.914 -0.875 0.000 2.482 550 V HA 0.860 4.980 4.120 0.000 0.000 0.295 550 V C -0.491 175.289 176.094 -0.524 0.000 1.026 550 V CA -1.768 60.218 62.300 -0.523 0.000 0.856 550 V CB 0.575 32.370 31.823 -0.047 0.000 1.001 550 V HN 0.499 nan 8.190 nan 0.000 0.424 551 Y N 0.868 121.289 120.300 0.203 0.000 2.609 551 Y HA 0.583 5.133 4.550 0.000 0.000 0.342 551 Y C 0.364 176.355 175.900 0.152 0.000 1.058 551 Y CA -1.270 56.924 58.100 0.157 0.000 1.055 551 Y CB 1.348 39.835 38.460 0.046 0.000 1.292 551 Y HN 0.547 nan 8.280 nan 0.000 0.476 552 Q N 0.607 120.414 119.800 0.011 0.000 2.304 552 Q HA 0.095 4.435 4.340 0.000 0.000 0.301 552 Q C 1.006 177.065 176.000 0.098 0.000 1.063 552 Q CA 0.444 56.159 55.803 -0.146 0.000 0.947 552 Q CB 1.029 29.576 28.738 -0.318 0.000 1.201 552 Q HN 0.950 nan 8.270 nan 0.000 0.389 553 A N 3.654 126.515 122.820 0.068 0.000 1.917 553 A HA -0.256 4.064 4.320 0.000 0.000 0.219 553 A C 1.146 178.742 177.584 0.021 0.000 1.182 553 A CA 2.173 54.236 52.037 0.044 0.000 0.633 553 A CB -0.452 18.546 19.000 -0.003 0.000 0.819 553 A HN 0.884 nan 8.150 nan 0.000 0.448 554 D N 0.269 120.680 120.400 0.017 0.000 2.417 554 D HA -0.089 4.551 4.640 0.000 0.000 0.225 554 D C 0.467 176.772 176.300 0.009 0.000 0.983 554 D CA 1.215 55.218 54.000 0.005 0.000 0.949 554 D CB -0.073 40.732 40.800 0.008 0.000 0.879 554 D HN 0.454 nan 8.370 nan 0.000 0.520 555 D N -0.631 119.805 120.400 0.060 0.000 2.433 555 D HA 0.043 4.683 4.640 0.000 0.000 0.211 555 D C 0.476 176.853 176.300 0.128 0.000 1.114 555 D CA -0.132 53.917 54.000 0.081 0.000 0.837 555 D CB -0.052 40.808 40.800 0.100 0.000 0.984 555 D HN 0.474 nan 8.370 nan 0.000 0.505 556 N N 0.000 118.685 118.700 -0.025 0.000 1.763 556 N HA 0.000 4.740 4.740 0.000 0.000 0.220 556 N CA 0.000 52.813 53.050 -0.394 0.000 0.885 556 N CB 0.000 37.897 38.487 -0.983 0.000 1.341 556 N HN 0.000 nan 8.380 nan 0.000 0.667