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 1fc6_1_A DATA FIRST_RESID 78 DATA SEQUENCE VTSEQLLFLE AWRAVDRAYV DKSFNGQSWF KLRETYLKKE PXDRRAQTYD DATA SEQUENCE AIRKXLAVLD DPFTRFLEPS RLAALRRGTA GSVTGVGLEI TYDGGSGKDV DATA SEQUENCE VVLTPAPGGP AEKAGARAGD VIVTVDGTAV KGXSLYDVSD LLQGEADSQV DATA SEQUENCE EVVLHAPGAP SNTRTLQLTR QKVTINPVTF TTCSNVAAAA LPPGAAKQQL DATA SEQUENCE GYVRLATFNS NTTAAAQQAF TELSKQGVAG LVLDIRNNGG GLFPAGVNVA DATA SEQUENCE RXLVDRGDLV LIADSQGIRD IYSADGNSID SATPLVVLVN RGTASASEVL DATA SEQUENCE AGALKDSKRG LIAGERTFGK GLIQTVVDLS DGSGVAVTVA RYQTPAGVDI DATA SEQUENCE NKIGVSPDVQ LDPEVLPTDL EGVCRVLGSD AAPRLF 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 78 V HA 0.000 nan 4.120 nan 0.000 0.244 78 V C 0.000 176.084 176.094 -0.017 0.000 1.182 78 V CA 0.000 62.285 62.300 -0.025 0.000 1.235 78 V CB 0.000 31.812 31.823 -0.018 0.000 1.184 79 T N 2.971 117.510 114.554 -0.024 0.000 2.788 79 T HA 0.396 4.746 4.350 -0.000 0.000 0.280 79 T C 1.318 176.016 174.700 -0.004 0.000 0.984 79 T CA 0.356 62.445 62.100 -0.018 0.000 0.972 79 T CB 1.486 70.335 68.868 -0.032 0.000 1.039 79 T HN 0.719 nan 8.240 nan 0.000 0.530 80 S N 0.531 116.230 115.700 -0.001 0.000 2.368 80 S HA -0.107 4.362 4.470 -0.000 0.000 0.225 80 S C 2.054 176.665 174.600 0.019 0.000 1.030 80 S CA 0.989 59.196 58.200 0.012 0.000 0.999 80 S CB -0.414 62.790 63.200 0.007 0.000 0.844 80 S HN 0.735 nan 8.310 nan 0.000 0.459 81 E N 1.436 121.635 120.200 -0.001 0.000 2.106 81 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 81 E C 2.121 178.743 176.600 0.036 0.000 0.984 81 E CA 0.897 57.297 56.400 -0.001 0.000 0.806 81 E CB -0.325 29.348 29.700 -0.046 0.000 0.750 81 E HN 0.616 nan 8.360 nan 0.000 0.458 82 Q N 0.159 119.969 119.800 0.016 0.000 2.123 82 Q HA -0.007 4.332 4.340 -0.000 0.000 0.199 82 Q C 2.415 178.482 176.000 0.111 0.000 0.966 82 Q CA 0.648 56.476 55.803 0.041 0.000 0.845 82 Q CB -0.007 28.719 28.738 -0.019 0.000 0.907 82 Q HN 0.233 nan 8.270 nan 0.000 0.439 83 L N -0.010 121.257 121.223 0.074 0.000 2.093 83 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 83 L C 2.246 179.180 176.870 0.106 0.000 1.085 83 L CA 0.410 55.297 54.840 0.078 0.000 0.755 83 L CB -0.346 41.747 42.059 0.057 0.000 0.904 83 L HN 0.264 nan 8.230 nan 0.000 0.435 84 L N -0.392 120.901 121.223 0.117 0.000 2.017 84 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 84 L C 2.366 179.337 176.870 0.168 0.000 1.073 84 L CA 1.694 56.618 54.840 0.140 0.000 0.745 84 L CB -0.677 41.470 42.059 0.147 0.000 0.894 84 L HN 0.156 nan 8.230 nan 0.000 0.432 85 F N -0.451 119.515 119.950 0.026 0.000 2.161 85 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 85 F C 2.034 177.861 175.800 0.046 0.000 1.089 85 F CA 1.667 59.674 58.000 0.013 0.000 1.282 85 F CB -0.272 38.709 39.000 -0.032 0.000 1.010 85 F HN 0.054 nan 8.300 nan 0.000 0.485 86 L N -0.000 121.256 121.223 0.056 0.000 2.201 86 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 86 L C 2.288 179.195 176.870 0.062 0.000 1.105 86 L CA 1.290 56.126 54.840 -0.006 0.000 0.775 86 L CB -0.638 41.450 42.059 0.047 0.000 0.913 86 L HN 0.228 nan 8.230 nan 0.000 0.440 87 E N 0.121 120.357 120.200 0.061 0.000 2.072 87 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 87 E C 2.297 178.931 176.600 0.056 0.000 0.985 87 E CA 1.154 57.603 56.400 0.081 0.000 0.801 87 E CB -0.102 29.653 29.700 0.091 0.000 0.750 87 E HN 0.501 nan 8.360 nan 0.000 0.452 88 A N 0.769 123.591 122.820 0.003 0.000 1.898 88 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 88 A C 1.868 179.422 177.584 -0.051 0.000 1.181 88 A CA 1.116 53.143 52.037 -0.016 0.000 0.620 88 A CB -0.957 18.017 19.000 -0.044 0.000 0.819 88 A HN 0.535 nan 8.150 nan 0.000 0.442 89 W N 0.542 121.613 121.300 -0.381 0.000 2.358 89 W HA -0.173 4.487 4.660 -0.000 0.000 0.303 89 W C 2.320 178.836 176.519 -0.004 0.000 1.208 89 W CA 1.932 59.086 57.345 -0.318 0.000 1.274 89 W CB -0.081 28.966 29.460 -0.689 0.000 1.138 89 W HN 0.266 nan 8.180 nan 0.000 0.515 90 R N 0.373 120.951 120.500 0.131 0.000 2.075 90 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 90 R C 2.454 178.698 176.300 -0.092 0.000 1.126 90 R CA 1.765 57.862 56.100 -0.005 0.000 0.963 90 R CB -0.755 29.666 30.300 0.202 0.000 0.858 90 R HN 0.198 nan 8.270 nan 0.000 0.435 91 A N -0.043 122.761 122.820 -0.026 0.000 1.917 91 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 91 A C 2.212 179.768 177.584 -0.046 0.000 1.182 91 A CA 1.946 53.974 52.037 -0.014 0.000 0.633 91 A CB -0.656 18.355 19.000 0.018 0.000 0.819 91 A HN 0.224 nan 8.150 nan 0.000 0.448 92 V N 0.038 119.897 119.914 -0.091 0.000 2.379 92 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 92 V C 2.278 178.271 176.094 -0.169 0.000 1.044 92 V CA 2.269 64.487 62.300 -0.136 0.000 1.036 92 V CB -0.844 30.847 31.823 -0.219 0.000 0.664 92 V HN 0.681 nan 8.190 nan 0.000 0.453 93 D N -0.148 120.038 120.400 -0.357 0.000 2.158 93 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 93 D C 2.391 178.677 176.300 -0.023 0.000 0.995 93 D CA 1.528 55.324 54.000 -0.341 0.000 0.846 93 D CB 0.010 40.322 40.800 -0.813 0.000 0.941 93 D HN 0.318 nan 8.370 nan 0.000 0.456 94 R N -0.859 119.610 120.500 -0.052 0.000 2.090 94 R HA 0.255 4.595 4.340 -0.000 0.000 0.219 94 R C 1.876 178.174 176.300 -0.004 0.000 1.100 94 R CA 1.076 57.176 56.100 -0.000 0.000 0.991 94 R CB 0.109 30.408 30.300 -0.001 0.000 0.893 94 R HN 0.113 nan 8.270 nan 0.000 0.443 95 A N -0.554 122.261 122.820 -0.008 0.000 2.288 95 A HA 0.071 4.391 4.320 -0.000 0.000 0.216 95 A C -0.017 177.548 177.584 -0.032 0.000 1.199 95 A CA -0.396 51.627 52.037 -0.023 0.000 0.891 95 A CB 0.005 18.995 19.000 -0.017 0.000 0.923 95 A HN 0.238 nan 8.150 nan 0.000 0.500 96 Y N 0.094 120.289 120.300 -0.176 0.000 2.811 96 Y HA 0.038 4.588 4.550 -0.000 0.000 0.334 96 Y C 1.619 177.339 175.900 -0.300 0.000 1.247 96 Y CA 0.825 58.772 58.100 -0.256 0.000 1.526 96 Y CB 0.846 39.097 38.460 -0.348 0.000 1.284 96 Y HN -0.003 nan 8.280 nan 0.000 0.586 97 V N 3.649 122.991 119.914 -0.953 0.000 2.594 97 V HA -0.175 3.945 4.120 -0.000 0.000 0.253 97 V C 0.264 175.951 176.094 -0.679 0.000 1.069 97 V CA 2.406 64.268 62.300 -0.730 0.000 1.082 97 V CB -0.391 31.039 31.823 -0.655 0.000 0.680 97 V HN 0.839 nan 8.190 nan 0.000 0.469 98 D N -0.345 119.509 120.400 -0.910 0.000 2.461 98 D HA 0.214 4.854 4.640 -0.000 0.000 0.240 98 D C 0.737 176.658 176.300 -0.632 0.000 1.094 98 D CA -0.502 53.178 54.000 -0.534 0.000 0.868 98 D CB 0.934 41.526 40.800 -0.348 0.000 1.062 98 D HN 0.006 nan 8.370 nan 0.000 0.530 99 K N 1.377 121.436 120.400 -0.568 0.000 2.616 99 K HA -0.023 4.296 4.320 -0.000 0.000 0.192 99 K C 1.297 177.596 176.600 -0.501 0.000 1.031 99 K CA 0.253 56.119 56.287 -0.702 0.000 1.004 99 K CB -0.273 32.043 32.500 -0.307 0.000 0.810 99 K HN 0.427 nan 8.250 nan 0.000 0.497 100 S N -0.602 114.893 115.700 -0.341 0.000 2.535 100 S HA 0.033 4.503 4.470 -0.000 0.000 0.214 100 S C 0.463 175.121 174.600 0.097 0.000 0.980 100 S CA -0.514 57.669 58.200 -0.028 0.000 0.907 100 S CB -0.554 62.645 63.200 -0.003 0.000 0.790 100 S HN 0.261 nan 8.310 nan 0.000 0.510 101 F N 2.580 122.536 119.950 0.011 0.000 2.969 101 F HA -0.218 4.309 4.527 -0.000 0.000 0.273 101 F C 0.775 176.580 175.800 0.007 0.000 0.986 101 F CA 0.725 58.679 58.000 -0.077 0.000 0.926 101 F CB -2.754 36.128 39.000 -0.195 0.000 0.887 101 F HN 0.589 nan 8.300 nan 0.000 0.816 102 N N -0.472 118.305 118.700 0.128 0.000 2.725 102 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 102 N C 1.131 176.721 175.510 0.132 0.000 1.103 102 N CA 0.706 53.827 53.050 0.119 0.000 0.707 102 N CB -0.999 37.558 38.487 0.116 0.000 1.043 102 N HN 1.491 nan 8.380 nan 0.000 0.553 103 G N -1.206 107.679 108.800 0.142 0.000 2.162 103 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 103 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 103 G C -0.212 174.796 174.900 0.180 0.000 0.976 103 G CA 0.704 45.888 45.100 0.140 0.000 0.655 103 G HN 0.512 nan 8.290 nan 0.000 0.533 104 Q N 0.516 120.466 119.800 0.250 0.000 2.235 104 Q HA 0.522 4.862 4.340 -0.000 0.000 0.250 104 Q C 0.044 176.234 176.000 0.316 0.000 0.909 104 Q CA -0.157 55.812 55.803 0.275 0.000 0.910 104 Q CB 1.557 30.513 28.738 0.363 0.000 1.223 104 Q HN 0.234 nan 8.270 nan 0.000 0.432 105 S N 3.061 118.904 115.700 0.238 0.000 2.423 105 S HA 0.033 4.503 4.470 -0.000 0.000 0.302 105 S C 0.748 175.491 174.600 0.238 0.000 1.143 105 S CA -0.588 57.756 58.200 0.240 0.000 1.080 105 S CB 0.189 63.499 63.200 0.183 0.000 1.081 105 S HN 0.628 nan 8.310 nan 0.000 0.522 106 W N 3.761 125.041 121.300 -0.033 0.000 2.335 106 W HA -0.229 4.431 4.660 -0.000 0.000 0.311 106 W C 1.493 178.146 176.519 0.223 0.000 1.213 106 W CA 1.023 58.268 57.345 -0.167 0.000 1.274 106 W CB -0.251 28.557 29.460 -1.087 0.000 1.148 106 W HN 0.742 nan 8.180 nan 0.000 0.498 107 F N 1.902 121.987 119.950 0.225 0.000 2.134 107 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 107 F C 2.419 178.154 175.800 -0.107 0.000 1.097 107 F CA 1.950 60.003 58.000 0.088 0.000 1.264 107 F CB -0.411 38.653 39.000 0.107 0.000 1.001 107 F HN -0.314 nan 8.300 nan 0.000 0.479 108 K N 0.396 120.867 120.400 0.119 0.000 2.063 108 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 108 K C 2.182 178.709 176.600 -0.121 0.000 1.048 108 K CA 1.613 57.910 56.287 0.016 0.000 0.928 108 K CB -1.320 31.223 32.500 0.071 0.000 0.713 108 K HN 0.400 nan 8.250 nan 0.000 0.442 109 L N 1.655 122.772 121.223 -0.176 0.000 2.012 109 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 109 L C 2.931 179.580 176.870 -0.368 0.000 1.073 109 L CA 1.581 56.268 54.840 -0.256 0.000 0.748 109 L CB -0.261 41.507 42.059 -0.486 0.000 0.891 109 L HN 0.146 nan 8.230 nan 0.000 0.431 110 R N -0.420 119.668 120.500 -0.687 0.000 2.096 110 R HA -0.223 4.117 4.340 -0.000 0.000 0.240 110 R C 2.020 177.995 176.300 -0.542 0.000 1.139 110 R CA 2.000 57.556 56.100 -0.905 0.000 0.952 110 R CB -0.467 28.644 30.300 -1.983 0.000 0.854 110 R HN 0.430 nan 8.270 nan 0.000 0.436 111 E N 0.031 119.910 120.200 -0.535 0.000 2.106 111 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 111 E C 2.037 178.539 176.600 -0.164 0.000 0.984 111 E CA 1.732 57.945 56.400 -0.313 0.000 0.806 111 E CB -0.348 29.227 29.700 -0.209 0.000 0.750 111 E HN 0.451 nan 8.360 nan 0.000 0.458 112 T N 0.733 115.228 114.554 -0.099 0.000 2.737 112 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 112 T C 1.708 176.393 174.700 -0.025 0.000 1.038 112 T CA 1.047 63.129 62.100 -0.031 0.000 1.144 112 T CB -0.362 68.528 68.868 0.037 0.000 0.866 112 T HN 0.139 nan 8.240 nan 0.000 0.434 113 Y N 1.269 121.428 120.300 -0.235 0.000 2.242 113 Y HA 0.074 4.624 4.550 -0.000 0.000 0.291 113 Y C 2.196 177.848 175.900 -0.414 0.000 1.137 113 Y CA 0.172 58.084 58.100 -0.313 0.000 1.181 113 Y CB -0.746 37.514 38.460 -0.332 0.000 0.989 113 Y HN 0.143 nan 8.280 nan 0.000 0.527 114 L N -0.638 120.455 121.223 -0.217 0.000 2.079 114 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 114 L C 2.137 178.886 176.870 -0.202 0.000 1.081 114 L CA 1.464 56.151 54.840 -0.255 0.000 0.752 114 L CB -0.320 41.617 42.059 -0.204 0.000 0.896 114 L HN 0.062 nan 8.230 nan 0.000 0.433 115 K N -0.554 119.746 120.400 -0.166 0.000 2.186 115 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 115 K C 1.843 178.352 176.600 -0.152 0.000 1.052 115 K CA 0.875 57.079 56.287 -0.138 0.000 0.965 115 K CB 0.194 32.630 32.500 -0.106 0.000 0.746 115 K HN 0.039 nan 8.250 nan 0.000 0.457 116 K N 0.188 120.475 120.400 -0.189 0.000 2.367 116 K HA 0.153 4.473 4.320 -0.000 0.000 0.195 116 K C -0.235 176.213 176.600 -0.253 0.000 1.060 116 K CA 0.242 56.407 56.287 -0.203 0.000 1.022 116 K CB 0.865 33.241 32.500 -0.207 0.000 0.894 116 K HN 0.010 nan 8.250 nan 0.000 0.540 117 E N 2.609 122.620 120.200 -0.316 0.000 2.197 117 E HA 0.248 4.598 4.350 -0.000 0.000 0.281 117 E C -2.033 174.413 176.600 -0.258 0.000 0.995 117 E CA -1.986 54.217 56.400 -0.329 0.000 0.808 117 E CB 1.159 30.596 29.700 -0.438 0.000 1.093 117 E HN 0.054 nan 8.360 nan 0.000 0.394 121 R N 0.394 120.841 120.500 -0.088 0.000 2.892 121 R HA 0.563 4.903 4.340 -0.000 0.000 0.265 121 R C 0.772 176.981 176.300 -0.151 0.000 1.025 121 R CA -0.781 55.260 56.100 -0.097 0.000 0.982 121 R CB 1.784 32.035 30.300 -0.082 0.000 1.185 121 R HN -0.233 nan 8.270 nan 0.000 0.484 122 R N 1.542 121.923 120.500 -0.198 0.000 2.103 122 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 122 R C 1.709 177.687 176.300 -0.537 0.000 1.142 122 R CA 2.354 58.219 56.100 -0.392 0.000 0.960 122 R CB -0.923 29.139 30.300 -0.397 0.000 0.858 122 R HN 0.794 nan 8.270 nan 0.000 0.439 123 A N 0.087 122.734 122.820 -0.289 0.000 1.940 123 A HA -0.215 4.104 4.320 -0.000 0.000 0.219 123 A C 2.088 179.629 177.584 -0.071 0.000 1.176 123 A CA 1.685 53.640 52.037 -0.137 0.000 0.631 123 A CB -0.450 18.540 19.000 -0.016 0.000 0.814 123 A HN 0.554 nan 8.150 nan 0.000 0.446 124 Q N -1.115 118.627 119.800 -0.098 0.000 2.083 124 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 124 Q C 2.192 178.151 176.000 -0.067 0.000 0.969 124 Q CA 1.710 57.472 55.803 -0.070 0.000 0.838 124 Q CB -0.303 28.383 28.738 -0.087 0.000 0.900 124 Q HN 0.697 nan 8.270 nan 0.000 0.436 125 T N 0.552 115.042 114.554 -0.107 0.000 2.684 125 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 125 T C 1.587 176.315 174.700 0.047 0.000 1.036 125 T CA 1.339 63.407 62.100 -0.052 0.000 1.148 125 T CB -0.605 68.215 68.868 -0.081 0.000 0.863 125 T HN 0.389 nan 8.240 nan 0.000 0.436 126 Y N 1.596 121.832 120.300 -0.108 0.000 2.151 126 Y HA -0.204 4.346 4.550 -0.000 0.000 0.284 126 Y C 2.680 178.461 175.900 -0.198 0.000 1.166 126 Y CA 0.536 58.476 58.100 -0.267 0.000 1.163 126 Y CB -0.283 38.180 38.460 0.006 0.000 0.974 126 Y HN 0.208 nan 8.280 nan 0.000 0.511 127 D N 0.027 120.493 120.400 0.110 0.000 2.144 127 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 127 D C 2.159 178.499 176.300 0.067 0.000 0.984 127 D CA 1.201 55.244 54.000 0.073 0.000 0.834 127 D CB -0.357 40.473 40.800 0.050 0.000 0.955 127 D HN 0.347 nan 8.370 nan 0.000 0.465 128 A N 0.496 123.354 122.820 0.064 0.000 1.929 128 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 128 A C 2.335 180.107 177.584 0.313 0.000 1.176 128 A CA 0.595 52.715 52.037 0.139 0.000 0.628 128 A CB -0.568 18.423 19.000 -0.015 0.000 0.816 128 A HN 0.162 nan 8.150 nan 0.000 0.444 129 I N -0.794 119.883 120.570 0.178 0.000 2.226 129 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 129 I C 2.746 178.873 176.117 0.016 0.000 1.100 129 I CA 1.230 62.551 61.300 0.034 0.000 1.374 129 I CB -0.255 37.512 38.000 -0.389 0.000 1.057 129 I HN 0.276 nan 8.210 nan 0.000 0.413 130 R N 0.529 121.028 120.500 -0.002 0.000 2.092 130 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 130 R C 1.515 177.894 176.300 0.132 0.000 1.119 130 R CA 0.704 56.859 56.100 0.090 0.000 0.970 130 R CB -0.215 30.152 30.300 0.111 0.000 0.864 130 R HN 0.290 nan 8.270 nan 0.000 0.440 134 A N 0.987 123.875 122.820 0.113 0.000 2.024 134 A HA -0.134 4.185 4.320 -0.000 0.000 0.220 134 A C 2.065 179.705 177.584 0.093 0.000 1.164 134 A CA 2.048 54.139 52.037 0.091 0.000 0.643 134 A CB -0.666 18.388 19.000 0.090 0.000 0.806 134 A HN 0.415 nan 8.150 nan 0.000 0.451 135 V N -2.328 117.668 119.914 0.136 0.000 3.078 135 V HA -0.072 4.047 4.120 -0.000 0.000 0.265 135 V C 1.853 178.018 176.094 0.117 0.000 1.122 135 V CA 1.707 64.093 62.300 0.144 0.000 1.141 135 V CB -0.852 31.090 31.823 0.198 0.000 0.735 135 V HN 0.456 nan 8.190 nan 0.000 0.498 136 L N -0.162 121.102 121.223 0.068 0.000 2.478 136 L HA 0.120 4.460 4.340 -0.000 0.000 0.223 136 L C 0.970 177.868 176.870 0.048 0.000 1.140 136 L CA 0.777 55.615 54.840 -0.002 0.000 0.842 136 L CB -0.719 41.216 42.059 -0.206 0.000 0.953 136 L HN 0.321 nan 8.230 nan 0.000 0.452 137 D N 0.841 121.265 120.400 0.041 0.000 2.723 137 D HA -0.201 4.439 4.640 -0.000 0.000 0.236 137 D C -0.209 176.106 176.300 0.024 0.000 1.138 137 D CA 1.062 55.077 54.000 0.024 0.000 0.676 137 D CB -0.960 39.860 40.800 0.034 0.000 1.069 137 D HN 0.387 nan 8.370 nan 0.000 0.430 138 D N -0.797 119.624 120.400 0.035 0.000 2.421 138 D HA 0.277 4.917 4.640 -0.000 0.000 0.254 138 D C -1.748 174.549 176.300 -0.004 0.000 1.238 138 D CA -1.862 52.181 54.000 0.071 0.000 0.919 138 D CB 1.512 42.443 40.800 0.218 0.000 1.152 138 D HN -0.146 nan 8.370 nan 0.000 0.552 139 P HA -0.033 nan 4.420 nan 0.000 0.228 139 P C 0.958 178.121 177.300 -0.228 0.000 1.151 139 P CA 0.564 63.413 63.100 -0.419 0.000 0.770 139 P CB -0.070 30.951 31.700 -1.132 0.000 0.786 140 F N -0.611 119.413 119.950 0.123 0.000 2.743 140 F HA 0.083 4.610 4.527 -0.000 0.000 0.297 140 F C 1.089 177.004 175.800 0.191 0.000 1.131 140 F CA 0.377 58.493 58.000 0.194 0.000 1.426 140 F CB -0.474 38.614 39.000 0.146 0.000 1.116 140 F HN -0.269 nan 8.300 nan 0.000 0.583 141 T N 3.616 118.351 114.554 0.303 0.000 2.727 141 T HA 0.401 4.751 4.350 -0.000 0.000 0.298 141 T C 0.072 174.888 174.700 0.194 0.000 0.942 141 T CA -0.372 61.868 62.100 0.235 0.000 0.997 141 T CB 0.288 69.271 68.868 0.191 0.000 0.917 141 T HN -0.065 nan 8.240 nan 0.000 0.487 142 R N 1.821 122.446 120.500 0.208 0.000 2.774 142 R HA 0.459 4.799 4.340 -0.000 0.000 0.272 142 R C -1.303 175.083 176.300 0.144 0.000 1.000 142 R CA -0.889 55.328 56.100 0.195 0.000 0.906 142 R CB 1.807 32.270 30.300 0.271 0.000 1.227 142 R HN 0.540 nan 8.270 nan 0.000 0.468 143 F N 1.278 121.218 119.950 -0.016 0.000 2.397 143 F HA 0.578 5.104 4.527 -0.000 0.000 0.331 143 F C -0.924 174.775 175.800 -0.168 0.000 1.090 143 F CA -0.759 57.191 58.000 -0.084 0.000 1.065 143 F CB 0.893 39.861 39.000 -0.054 0.000 1.184 143 F HN 0.277 nan 8.300 nan 0.000 0.499 144 L N 5.028 125.542 121.223 -1.181 0.000 2.376 144 L HA 0.380 4.720 4.340 -0.000 0.000 0.275 144 L C -0.299 175.792 176.870 -1.299 0.000 0.987 144 L CA -0.619 53.633 54.840 -0.980 0.000 0.828 144 L CB 1.844 43.492 42.059 -0.685 0.000 1.249 144 L HN 0.621 nan 8.230 nan 0.000 0.409 145 E N 3.681 123.366 120.200 -0.858 0.000 2.392 145 E HA 0.087 4.437 4.350 -0.000 0.000 0.256 145 E C -1.567 174.824 176.600 -0.349 0.000 1.145 145 E CA -1.535 54.487 56.400 -0.630 0.000 0.929 145 E CB 0.695 30.217 29.700 -0.295 0.000 0.998 145 E HN 0.330 nan 8.360 nan 0.000 0.442 146 P HA -0.285 nan 4.420 nan 0.000 0.215 146 P C 1.446 178.704 177.300 -0.070 0.000 1.163 146 P CA 2.024 65.077 63.100 -0.078 0.000 0.894 146 P CB -0.031 31.684 31.700 0.025 0.000 0.791 147 S N -1.038 114.637 115.700 -0.041 0.000 2.368 147 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 147 S C 2.041 176.608 174.600 -0.054 0.000 1.030 147 S CA 0.854 59.037 58.200 -0.029 0.000 0.999 147 S CB -0.894 62.304 63.200 -0.004 0.000 0.844 147 S HN -0.055 nan 8.310 nan 0.000 0.459 148 R N 0.895 121.341 120.500 -0.090 0.000 2.075 148 R HA 0.139 4.479 4.340 -0.000 0.000 0.232 148 R C 2.345 178.563 176.300 -0.137 0.000 1.126 148 R CA 1.081 57.117 56.100 -0.108 0.000 0.963 148 R CB -1.550 28.657 30.300 -0.154 0.000 0.858 148 R HN 0.515 nan 8.270 nan 0.000 0.435 149 L N 0.807 121.920 121.223 -0.183 0.000 2.093 149 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 149 L C 2.130 178.942 176.870 -0.096 0.000 1.085 149 L CA 1.840 56.573 54.840 -0.178 0.000 0.755 149 L CB -0.646 41.288 42.059 -0.207 0.000 0.904 149 L HN 0.125 nan 8.230 nan 0.000 0.435 150 A N -0.430 122.347 122.820 -0.071 0.000 1.898 150 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 150 A C 2.442 180.011 177.584 -0.025 0.000 1.181 150 A CA 1.535 53.548 52.037 -0.038 0.000 0.620 150 A CB -1.077 17.907 19.000 -0.026 0.000 0.819 150 A HN 0.548 nan 8.150 nan 0.000 0.442 151 A N -0.340 122.465 122.820 -0.025 0.000 1.930 151 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 151 A C 2.118 179.704 177.584 0.003 0.000 1.175 151 A CA 1.591 53.623 52.037 -0.007 0.000 0.627 151 A CB -0.623 18.376 19.000 -0.002 0.000 0.815 151 A HN 0.786 nan 8.150 nan 0.000 0.443 152 L N -0.097 121.125 121.223 -0.002 0.000 2.079 152 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 152 L C 2.420 179.304 176.870 0.024 0.000 1.081 152 L CA 1.894 56.751 54.840 0.030 0.000 0.752 152 L CB -0.408 41.662 42.059 0.019 0.000 0.896 152 L HN 0.301 nan 8.230 nan 0.000 0.433 153 R N -0.234 120.266 120.500 0.001 0.000 2.070 153 R HA -0.123 4.217 4.340 -0.000 0.000 0.233 153 R C 2.320 178.626 176.300 0.010 0.000 1.137 153 R CA 1.911 58.013 56.100 0.004 0.000 0.945 153 R CB -0.519 29.776 30.300 -0.008 0.000 0.845 153 R HN 0.438 nan 8.270 nan 0.000 0.430 154 R N 0.203 120.708 120.500 0.007 0.000 2.120 154 R HA -0.019 4.321 4.340 -0.000 0.000 0.234 154 R C 1.373 177.680 176.300 0.012 0.000 1.123 154 R CA 0.657 56.763 56.100 0.009 0.000 0.975 154 R CB -0.488 29.816 30.300 0.006 0.000 0.866 154 R HN 0.381 nan 8.270 nan 0.000 0.446 155 G N 0.380 109.190 108.800 0.017 0.000 2.633 155 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.263 155 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.263 155 G C -0.234 174.674 174.900 0.013 0.000 1.310 155 G CA 0.090 45.202 45.100 0.020 0.000 0.914 155 G HN 0.347 nan 8.290 nan 0.000 0.569 156 T N -0.847 113.713 114.554 0.010 0.000 2.987 156 T HA 0.676 5.026 4.350 -0.000 0.000 0.288 156 T C 0.889 175.592 174.700 0.005 0.000 0.981 156 T CA 0.698 62.802 62.100 0.006 0.000 1.031 156 T CB 0.938 69.807 68.868 0.001 0.000 0.976 156 T HN 1.803 nan 8.240 nan 0.000 0.612 157 A N 3.211 126.034 122.820 0.005 0.000 1.878 157 A HA 0.883 5.203 4.320 -0.000 0.000 0.188 157 A C 1.014 178.600 177.584 0.003 0.000 2.104 157 A CA 0.075 52.115 52.037 0.005 0.000 1.140 157 A CB 0.079 19.083 19.000 0.006 0.000 1.057 157 A HN 0.901 nan 8.150 nan 0.000 0.646 158 G N -1.367 107.435 108.800 0.004 0.000 2.542 158 G HA2 0.531 4.491 3.960 -0.000 0.000 0.311 158 G HA3 0.531 4.491 3.960 -0.000 0.000 0.311 158 G C 0.416 175.318 174.900 0.004 0.000 1.298 158 G CA 0.799 45.901 45.100 0.003 0.000 0.973 158 G HN 1.714 nan 8.290 nan 0.000 0.487 159 S N -0.422 115.279 115.700 0.003 0.000 2.616 159 S HA -0.263 4.207 4.470 -0.000 0.000 0.254 159 S C 0.400 175.002 174.600 0.004 0.000 1.299 159 S CA 1.788 59.990 58.200 0.003 0.000 1.553 159 S CB -1.397 61.806 63.200 0.004 0.000 1.999 159 S HN 1.391 nan 8.310 nan 0.000 0.677 160 V N 3.035 122.952 119.914 0.004 0.000 2.357 160 V HA 0.712 4.832 4.120 -0.000 0.000 0.284 160 V C 0.439 176.535 176.094 0.002 0.000 1.018 160 V CA 0.162 62.465 62.300 0.004 0.000 0.841 160 V CB 1.205 33.032 31.823 0.006 0.000 0.991 160 V HN 0.732 nan 8.190 nan 0.000 0.437 161 T N 1.780 116.335 114.554 0.001 0.000 2.916 161 T HA 0.905 5.255 4.350 -0.000 0.000 0.292 161 T C 0.060 174.758 174.700 -0.003 0.000 1.055 161 T CA -0.167 61.932 62.100 -0.002 0.000 1.009 161 T CB 2.281 71.148 68.868 -0.002 0.000 1.118 161 T HN 0.798 nan 8.240 nan 0.000 0.497 162 G N -0.551 108.245 108.800 -0.007 0.000 3.262 162 G HA2 0.590 4.550 3.960 -0.000 0.000 0.229 162 G HA3 0.590 4.550 3.960 -0.000 0.000 0.229 162 G C 0.171 175.064 174.900 -0.012 0.000 1.280 162 G CA -0.252 44.842 45.100 -0.010 0.000 0.951 162 G HN 1.577 nan 8.290 nan 0.000 0.589 163 V N -3.097 116.808 119.914 -0.016 0.000 3.070 163 V HA 0.600 4.720 4.120 -0.000 0.000 0.345 163 V C 1.050 177.133 176.094 -0.019 0.000 1.403 163 V CA 0.452 62.743 62.300 -0.015 0.000 1.155 163 V CB -0.059 31.755 31.823 -0.015 0.000 1.140 163 V HN 2.262 nan 8.190 nan 0.000 0.505 164 G N 1.162 109.949 108.800 -0.021 0.000 2.225 164 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.264 164 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.264 164 G C -0.405 174.477 174.900 -0.030 0.000 1.060 164 G CA 0.605 45.691 45.100 -0.023 0.000 0.833 164 G HN 0.644 nan 8.290 nan 0.000 0.498 165 L N -0.660 120.541 121.223 -0.037 0.000 2.362 165 L HA 0.703 5.042 4.340 -0.000 0.000 0.271 165 L C 0.119 176.951 176.870 -0.063 0.000 1.002 165 L CA -0.922 53.889 54.840 -0.049 0.000 0.818 165 L CB 2.216 44.242 42.059 -0.053 0.000 1.298 165 L HN 0.269 nan 8.230 nan 0.000 0.420 166 E N 3.551 123.704 120.200 -0.077 0.000 2.171 166 E HA 0.614 4.964 4.350 -0.000 0.000 0.271 166 E C -1.157 175.362 176.600 -0.136 0.000 0.916 166 E CA -0.588 55.752 56.400 -0.100 0.000 0.774 166 E CB 1.677 31.318 29.700 -0.097 0.000 1.128 166 E HN 0.501 nan 8.360 nan 0.000 0.403 167 I N 0.090 120.563 120.570 -0.161 0.000 2.957 167 I HA 0.779 4.949 4.170 -0.000 0.000 0.310 167 I C -0.328 175.642 176.117 -0.245 0.000 1.063 167 I CA -0.605 60.576 61.300 -0.198 0.000 1.033 167 I CB 2.408 40.292 38.000 -0.193 0.000 1.230 167 I HN 0.473 nan 8.210 nan 0.000 0.447 168 T N 0.724 115.110 114.554 -0.279 0.000 2.665 168 T HA 0.468 4.818 4.350 -0.000 0.000 0.303 168 T C -1.675 172.842 174.700 -0.305 0.000 1.334 168 T CA -0.427 61.511 62.100 -0.269 0.000 1.011 168 T CB 0.954 69.703 68.868 -0.198 0.000 1.573 168 T HN 0.523 nan 8.240 nan 0.000 0.492 169 Y N 1.152 121.491 120.300 0.065 0.000 2.335 169 Y HA 0.413 4.963 4.550 -0.000 0.000 0.323 169 Y C 0.846 176.859 175.900 0.188 0.000 1.224 169 Y CA -0.378 57.744 58.100 0.037 0.000 1.241 169 Y CB 0.704 39.099 38.460 -0.109 0.000 1.235 169 Y HN 0.688 nan 8.280 nan 0.000 0.492 170 D N 0.586 121.181 120.400 0.324 0.000 2.515 170 D HA -0.012 4.628 4.640 -0.000 0.000 0.232 170 D C 1.248 177.698 176.300 0.250 0.000 1.157 170 D CA 1.054 55.209 54.000 0.260 0.000 0.871 170 D CB 0.927 41.820 40.800 0.155 0.000 1.200 170 D HN 0.782 nan 8.370 nan 0.000 0.466 171 G N 2.068 110.952 108.800 0.139 0.000 2.559 171 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.216 171 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.216 171 G C 1.036 175.939 174.900 0.005 0.000 1.126 171 G CA 0.437 45.523 45.100 -0.023 0.000 0.778 171 G HN 0.543 nan 8.290 nan 0.000 0.543 172 G N -0.790 108.029 108.800 0.032 0.000 3.377 172 G HA2 0.321 4.281 3.960 -0.000 0.000 0.257 172 G HA3 0.321 4.281 3.960 -0.000 0.000 0.257 172 G C 0.347 175.270 174.900 0.039 0.000 1.038 172 G CA 0.620 45.734 45.100 0.023 0.000 0.809 172 G HN 0.439 nan 8.290 nan 0.000 0.526 173 S N -0.334 115.406 115.700 0.067 0.000 4.573 173 S HA -0.083 4.386 4.470 -0.000 0.000 0.281 173 S C 1.454 176.066 174.600 0.020 0.000 0.666 173 S CA 0.785 59.019 58.200 0.056 0.000 1.245 173 S CB -0.684 62.524 63.200 0.013 0.000 2.270 173 S HN 0.921 nan 8.310 nan 0.000 0.329 174 G N 3.208 112.032 108.800 0.039 0.000 3.393 174 G HA2 0.329 4.289 3.960 -0.000 0.000 0.255 174 G HA3 0.329 4.289 3.960 -0.000 0.000 0.255 174 G C 0.461 175.373 174.900 0.021 0.000 1.097 174 G CA 0.185 45.301 45.100 0.027 0.000 0.780 174 G HN 0.878 nan 8.290 nan 0.000 0.540 175 K N -0.208 120.196 120.400 0.007 0.000 3.470 175 K HA -0.120 4.200 4.320 -0.000 0.000 0.305 175 K C -0.700 176.006 176.600 0.176 0.000 1.363 175 K CA 0.660 56.950 56.287 0.005 0.000 0.927 175 K CB -1.066 31.404 32.500 -0.050 0.000 1.355 175 K HN 0.343 nan 8.250 nan 0.000 0.466 176 D N 1.387 121.882 120.400 0.158 0.000 2.425 176 D HA 0.118 4.758 4.640 -0.000 0.000 0.247 176 D C -0.006 176.391 176.300 0.163 0.000 1.147 176 D CA 0.295 54.378 54.000 0.139 0.000 0.879 176 D CB 1.125 41.990 40.800 0.108 0.000 1.179 176 D HN -0.140 nan 8.370 nan 0.000 0.456 177 V N 3.543 123.502 119.914 0.075 0.000 2.465 177 V HA 0.271 4.391 4.120 -0.000 0.000 0.279 177 V C 0.588 176.655 176.094 -0.046 0.000 1.045 177 V CA -0.441 61.839 62.300 -0.034 0.000 0.938 177 V CB 1.485 33.253 31.823 -0.091 0.000 0.986 177 V HN 0.364 nan 8.190 nan 0.000 0.467 178 V N 3.392 123.273 119.914 -0.056 0.000 3.074 178 V HA 0.693 4.813 4.120 -0.000 0.000 0.314 178 V C -0.349 175.697 176.094 -0.080 0.000 1.117 178 V CA -0.928 61.348 62.300 -0.040 0.000 1.014 178 V CB 2.092 33.946 31.823 0.051 0.000 1.057 178 V HN 0.407 nan 8.190 nan 0.000 0.438 179 V N 3.202 123.078 119.914 -0.063 0.000 2.470 179 V HA 0.135 4.255 4.120 -0.000 0.000 0.276 179 V C 1.271 177.309 176.094 -0.094 0.000 1.040 179 V CA 0.198 62.451 62.300 -0.079 0.000 1.008 179 V CB 0.721 32.512 31.823 -0.054 0.000 0.990 179 V HN 0.921 nan 8.190 nan 0.000 0.477 180 L N 3.864 124.979 121.223 -0.179 0.000 2.007 180 L HA 0.093 4.433 4.340 -0.000 0.000 0.205 180 L C 0.992 177.779 176.870 -0.138 0.000 1.073 180 L CA 1.802 56.466 54.840 -0.293 0.000 0.744 180 L CB 0.589 42.432 42.059 -0.361 0.000 0.898 180 L HN 0.750 nan 8.230 nan 0.000 0.435 181 T N -0.130 114.362 114.554 -0.104 0.000 2.982 181 T HA 0.444 4.794 4.350 -0.000 0.000 0.321 181 T C -2.801 171.871 174.700 -0.047 0.000 1.229 181 T CA -1.170 60.898 62.100 -0.053 0.000 1.044 181 T CB 2.013 70.858 68.868 -0.038 0.000 1.184 181 T HN -0.083 nan 8.240 nan 0.000 0.477 182 P HA 0.506 nan 4.420 nan 0.000 0.288 182 P C -1.095 176.191 177.300 -0.024 0.000 1.267 182 P CA -0.493 62.590 63.100 -0.027 0.000 0.815 182 P CB 0.758 32.447 31.700 -0.018 0.000 0.989 183 A N 5.543 128.348 122.820 -0.025 0.000 2.450 183 A HA 0.403 4.723 4.320 -0.000 0.000 0.255 183 A C -2.045 175.528 177.584 -0.018 0.000 1.096 183 A CA -1.310 50.714 52.037 -0.023 0.000 0.778 183 A CB -1.135 17.852 19.000 -0.023 0.000 1.031 183 A HN 0.398 nan 8.150 nan 0.000 0.494 184 P HA 0.147 nan 4.420 nan 0.000 0.263 184 P C 0.983 178.275 177.300 -0.014 0.000 1.195 184 P CA 1.692 64.784 63.100 -0.014 0.000 0.762 184 P CB 0.509 32.200 31.700 -0.014 0.000 0.799 185 G N 2.268 111.061 108.800 -0.011 0.000 2.166 185 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.260 185 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.260 185 G C 0.589 175.482 174.900 -0.012 0.000 0.986 185 G CA 0.045 45.139 45.100 -0.011 0.000 0.683 185 G HN 0.885 nan 8.290 nan 0.000 0.527 186 G N -0.462 108.331 108.800 -0.013 0.000 2.557 186 G HA2 0.628 4.588 3.960 -0.000 0.000 0.292 186 G HA3 0.628 4.588 3.960 -0.000 0.000 0.292 186 G C -0.513 174.380 174.900 -0.012 0.000 1.237 186 G CA -0.303 44.789 45.100 -0.013 0.000 0.978 186 G HN 0.063 nan 8.290 nan 0.000 0.498 187 P HA -0.125 nan 4.420 nan 0.000 0.215 187 P C 2.078 179.372 177.300 -0.010 0.000 1.157 187 P CA 2.338 65.432 63.100 -0.010 0.000 0.868 187 P CB 0.073 31.767 31.700 -0.009 0.000 0.788 188 A N -0.195 122.618 122.820 -0.013 0.000 1.930 188 A HA -0.220 4.099 4.320 -0.000 0.000 0.217 188 A C 2.356 179.934 177.584 -0.011 0.000 1.175 188 A CA 1.683 53.712 52.037 -0.013 0.000 0.627 188 A CB -1.310 17.680 19.000 -0.018 0.000 0.815 188 A HN 0.209 nan 8.150 nan 0.000 0.443 189 E N 0.138 120.331 120.200 -0.011 0.000 2.077 189 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 189 E C 1.824 178.421 176.600 -0.006 0.000 0.989 189 E CA 1.337 57.732 56.400 -0.009 0.000 0.800 189 E CB -0.123 29.572 29.700 -0.009 0.000 0.746 189 E HN 0.585 nan 8.360 nan 0.000 0.452 190 K N -0.307 120.089 120.400 -0.007 0.000 2.281 190 K HA -0.096 4.224 4.320 -0.000 0.000 0.203 190 K C 1.538 178.136 176.600 -0.004 0.000 1.046 190 K CA 0.887 57.170 56.287 -0.005 0.000 0.938 190 K CB 0.037 32.534 32.500 -0.006 0.000 0.737 190 K HN 0.082 nan 8.250 nan 0.000 0.458 191 A N 0.151 122.969 122.820 -0.004 0.000 2.370 191 A HA 0.304 4.624 4.320 -0.000 0.000 0.238 191 A C 1.156 178.740 177.584 -0.000 0.000 1.289 191 A CA 0.556 52.592 52.037 -0.002 0.000 0.885 191 A CB -0.129 18.869 19.000 -0.002 0.000 0.961 191 A HN 0.375 nan 8.150 nan 0.000 0.499 192 G N -1.754 107.045 108.800 -0.001 0.000 2.175 192 G HA2 0.072 4.032 3.960 -0.000 0.000 0.244 192 G HA3 0.072 4.032 3.960 -0.000 0.000 0.244 192 G C 0.505 175.406 174.900 0.002 0.000 0.982 192 G CA 0.149 45.250 45.100 0.002 0.000 0.641 192 G HN 1.630 nan 8.290 nan 0.000 0.527 193 A N 0.123 122.942 122.820 -0.002 0.000 2.462 193 A HA 0.750 5.070 4.320 -0.000 0.000 0.243 193 A C 0.722 178.304 177.584 -0.003 0.000 1.076 193 A CA 0.539 52.573 52.037 -0.005 0.000 0.773 193 A CB 0.334 19.326 19.000 -0.012 0.000 1.010 193 A HN 0.574 nan 8.150 nan 0.000 0.493 194 R N 0.655 121.155 120.500 -0.001 0.000 2.854 194 R HA 0.608 4.948 4.340 -0.000 0.000 0.271 194 R C -0.176 176.129 176.300 0.008 0.000 0.994 194 R CA -0.589 55.515 56.100 0.006 0.000 0.945 194 R CB 2.045 32.353 30.300 0.014 0.000 1.194 194 R HN 0.895 nan 8.270 nan 0.000 0.476 195 A N 0.527 123.358 122.820 0.017 0.000 2.540 195 A HA 0.388 4.708 4.320 -0.000 0.000 0.239 195 A C 1.194 178.813 177.584 0.058 0.000 1.061 195 A CA 1.234 53.290 52.037 0.032 0.000 0.758 195 A CB -0.484 18.546 19.000 0.049 0.000 0.991 195 A HN 0.962 nan 8.150 nan 0.000 0.502 196 G N 1.920 110.768 108.800 0.080 0.000 2.234 196 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.235 196 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.235 196 G C 0.013 174.933 174.900 0.033 0.000 0.997 196 G CA 0.266 45.426 45.100 0.100 0.000 0.623 196 G HN 0.828 nan 8.290 nan 0.000 0.514 197 D N 0.487 120.884 120.400 -0.004 0.000 2.423 197 D HA 0.428 5.068 4.640 -0.000 0.000 0.238 197 D C 0.627 176.856 176.300 -0.118 0.000 1.142 197 D CA 0.186 54.149 54.000 -0.062 0.000 0.884 197 D CB 1.651 42.421 40.800 -0.050 0.000 1.199 197 D HN 0.193 nan 8.370 nan 0.000 0.438 198 V N 3.294 123.042 119.914 -0.277 0.000 2.394 198 V HA 0.255 4.375 4.120 -0.000 0.000 0.282 198 V C 0.603 176.539 176.094 -0.264 0.000 1.031 198 V CA -0.697 61.405 62.300 -0.329 0.000 0.881 198 V CB 1.194 32.602 31.823 -0.691 0.000 0.982 198 V HN 0.335 nan 8.190 nan 0.000 0.451 199 I N 5.165 125.656 120.570 -0.131 0.000 2.337 199 I HA 0.149 4.318 4.170 -0.000 0.000 0.291 199 I C 0.956 177.053 176.117 -0.033 0.000 1.046 199 I CA 0.035 61.291 61.300 -0.074 0.000 1.324 199 I CB 1.432 39.396 38.000 -0.060 0.000 1.409 199 I HN 0.435 nan 8.210 nan 0.000 0.494 200 V N 4.168 124.084 119.914 0.002 0.000 2.341 200 V HA 0.009 4.129 4.120 -0.000 0.000 0.240 200 V C 0.907 177.022 176.094 0.036 0.000 1.035 200 V CA 1.293 63.623 62.300 0.050 0.000 1.033 200 V CB -0.104 31.782 31.823 0.105 0.000 0.678 200 V HN 0.895 nan 8.190 nan 0.000 0.464 201 T N -2.146 112.424 114.554 0.027 0.000 2.864 201 T HA 0.742 5.092 4.350 -0.000 0.000 0.299 201 T C -1.199 173.508 174.700 0.012 0.000 1.166 201 T CA -0.595 61.518 62.100 0.022 0.000 1.007 201 T CB 2.356 71.239 68.868 0.025 0.000 1.219 201 T HN -0.097 nan 8.240 nan 0.000 0.506 202 V N 1.846 121.766 119.914 0.011 0.000 2.524 202 V HA 0.413 4.532 4.120 -0.000 0.000 0.297 202 V C -0.576 175.524 176.094 0.010 0.000 1.035 202 V CA -0.700 61.604 62.300 0.006 0.000 0.867 202 V CB 1.157 32.980 31.823 0.000 0.000 1.004 202 V HN 1.140 nan 8.190 nan 0.000 0.426 203 D N 4.247 124.653 120.400 0.010 0.000 2.708 203 D HA -0.202 4.438 4.640 -0.000 0.000 0.236 203 D C 1.365 177.674 176.300 0.014 0.000 1.146 203 D CA 1.989 55.995 54.000 0.011 0.000 0.662 203 D CB -0.909 39.897 40.800 0.010 0.000 1.059 203 D HN 1.443 nan 8.370 nan 0.000 0.428 204 G N -1.589 107.221 108.800 0.015 0.000 2.284 204 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.247 204 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.247 204 G C 0.572 175.484 174.900 0.020 0.000 1.012 204 G CA 0.570 45.681 45.100 0.018 0.000 0.618 204 G HN 0.518 nan 8.290 nan 0.000 0.521 205 T N 2.225 116.791 114.554 0.020 0.000 2.814 205 T HA 0.573 4.923 4.350 -0.000 0.000 0.297 205 T C 0.708 175.424 174.700 0.026 0.000 0.956 205 T CA 0.490 62.603 62.100 0.023 0.000 1.123 205 T CB 1.479 70.361 68.868 0.023 0.000 0.902 205 T HN 1.341 nan 8.240 nan 0.000 0.528 206 A N 2.935 125.773 122.820 0.030 0.000 2.492 206 A HA 0.350 4.670 4.320 -0.000 0.000 0.254 206 A C 1.428 179.034 177.584 0.037 0.000 1.091 206 A CA -0.582 51.476 52.037 0.035 0.000 0.768 206 A CB 0.004 19.027 19.000 0.037 0.000 1.028 206 A HN 0.964 nan 8.150 nan 0.000 0.498 207 V N 0.802 120.738 119.914 0.037 0.000 3.660 207 V HA 0.183 4.303 4.120 -0.000 0.000 0.276 207 V C 0.851 176.981 176.094 0.060 0.000 1.317 207 V CA 0.421 62.743 62.300 0.037 0.000 1.097 207 V CB -1.171 30.661 31.823 0.014 0.000 0.863 207 V HN 0.767 nan 8.190 nan 0.000 0.438 208 K N 1.959 122.398 120.400 0.064 0.000 2.504 208 K HA 0.363 4.683 4.320 -0.000 0.000 0.278 208 K C 0.830 177.484 176.600 0.090 0.000 1.025 208 K CA 1.285 57.621 56.287 0.081 0.000 1.093 208 K CB -0.531 32.011 32.500 0.069 0.000 0.873 208 K HN 0.995 nan 8.250 nan 0.000 0.483 212 L N 3.165 124.383 121.223 -0.009 0.000 2.275 212 L HA -0.031 4.308 4.340 -0.000 0.000 0.215 212 L C 1.565 178.316 176.870 -0.198 0.000 1.119 212 L CA 1.260 55.959 54.840 -0.235 0.000 0.790 212 L CB -0.551 41.258 42.059 -0.416 0.000 0.919 212 L HN 0.776 nan 8.230 nan 0.000 0.443 213 Y N -0.125 120.184 120.300 0.015 0.000 2.352 213 Y HA -0.184 4.366 4.550 -0.000 0.000 0.292 213 Y C 2.329 178.229 175.900 -0.001 0.000 1.136 213 Y CA 0.850 58.952 58.100 0.004 0.000 1.227 213 Y CB -0.203 38.258 38.460 0.003 0.000 0.991 213 Y HN 0.193 nan 8.280 nan 0.000 0.545 214 D N -0.733 119.761 120.400 0.157 0.000 2.162 214 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 214 D C 2.345 178.674 176.300 0.049 0.000 0.964 214 D CA 0.939 54.998 54.000 0.099 0.000 0.847 214 D CB -0.281 40.577 40.800 0.098 0.000 0.988 214 D HN 0.130 nan 8.370 nan 0.000 0.480 215 V N 1.284 121.209 119.914 0.019 0.000 2.287 215 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 215 V C 2.409 178.489 176.094 -0.023 0.000 1.053 215 V CA 1.766 64.057 62.300 -0.016 0.000 1.027 215 V CB -0.668 31.119 31.823 -0.060 0.000 0.646 215 V HN 0.131 nan 8.190 nan 0.000 0.447 216 S N -0.236 115.444 115.700 -0.034 0.000 2.400 216 S HA -0.226 4.244 4.470 -0.000 0.000 0.232 216 S C 1.722 176.322 174.600 0.001 0.000 1.025 216 S CA 1.469 59.653 58.200 -0.027 0.000 0.993 216 S CB -0.421 62.758 63.200 -0.034 0.000 0.808 216 S HN 0.606 nan 8.310 nan 0.000 0.478 217 D N 1.519 121.931 120.400 0.021 0.000 2.144 217 D HA -0.000 4.640 4.640 -0.000 0.000 0.200 217 D C 1.835 178.145 176.300 0.016 0.000 0.978 217 D CA 0.748 54.763 54.000 0.026 0.000 0.833 217 D CB -0.242 40.581 40.800 0.039 0.000 0.961 217 D HN 0.327 nan 8.370 nan 0.000 0.470 218 L N 0.226 121.457 121.223 0.013 0.000 2.141 218 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 218 L C 2.377 179.249 176.870 0.002 0.000 1.094 218 L CA 0.457 55.303 54.840 0.010 0.000 0.763 218 L CB -0.120 41.945 42.059 0.009 0.000 0.908 218 L HN 0.011 nan 8.230 nan 0.000 0.437 219 L N -1.209 120.010 121.223 -0.005 0.000 2.418 219 L HA -0.028 4.312 4.340 -0.000 0.000 0.218 219 L C 0.953 177.819 176.870 -0.007 0.000 1.125 219 L CA 0.311 55.145 54.840 -0.010 0.000 0.835 219 L CB -0.040 42.005 42.059 -0.022 0.000 0.953 219 L HN 0.308 nan 8.230 nan 0.000 0.454 220 Q N -1.058 118.740 119.800 -0.002 0.000 2.193 220 Q HA 0.638 4.978 4.340 -0.000 0.000 0.246 220 Q C 0.028 176.030 176.000 0.004 0.000 0.959 220 Q CA -0.049 55.755 55.803 0.000 0.000 0.904 220 Q CB 1.910 30.649 28.738 0.003 0.000 1.238 220 Q HN 0.133 nan 8.270 nan 0.000 0.469 221 G N 0.008 108.810 108.800 0.003 0.000 2.335 221 G HA2 0.088 4.048 3.960 -0.000 0.000 0.291 221 G HA3 0.088 4.048 3.960 -0.000 0.000 0.291 221 G C -1.474 173.428 174.900 0.004 0.000 1.261 221 G CA -0.790 44.313 45.100 0.005 0.000 0.871 221 G HN 0.379 nan 8.290 nan 0.000 0.491 222 E N 0.203 120.405 120.200 0.004 0.000 2.373 222 E HA 0.531 4.881 4.350 -0.000 0.000 0.263 222 E C 0.800 177.401 176.600 0.002 0.000 1.073 222 E CA 0.104 56.506 56.400 0.003 0.000 0.894 222 E CB 1.554 31.257 29.700 0.004 0.000 1.008 222 E HN 0.841 nan 8.360 nan 0.000 0.420 223 A N 2.346 125.166 122.820 0.001 0.000 2.483 223 A HA 0.058 4.378 4.320 -0.000 0.000 0.238 223 A C 0.417 178.001 177.584 0.000 0.000 1.070 223 A CA 0.288 52.325 52.037 -0.000 0.000 0.770 223 A CB 0.083 19.083 19.000 -0.000 0.000 1.008 223 A HN 0.775 nan 8.150 nan 0.000 0.497 224 D N -0.983 119.417 120.400 -0.000 0.000 2.792 224 D HA -0.173 4.467 4.640 -0.000 0.000 0.192 224 D C 0.589 176.889 176.300 0.001 0.000 1.007 224 D CA 1.720 55.720 54.000 -0.000 0.000 1.020 224 D CB -2.019 38.781 40.800 0.000 0.000 1.089 224 D HN 1.003 nan 8.370 nan 0.000 0.438 225 S N -0.209 115.491 115.700 0.001 0.000 2.632 225 S HA 0.525 4.995 4.470 -0.000 0.000 0.267 225 S C 0.213 174.814 174.600 0.001 0.000 1.276 225 S CA -0.439 57.762 58.200 0.002 0.000 0.998 225 S CB 2.498 65.699 63.200 0.003 0.000 0.953 225 S HN 0.162 nan 8.310 nan 0.000 0.547 226 Q N -0.295 119.506 119.800 0.002 0.000 2.351 226 Q HA 0.766 5.105 4.340 -0.000 0.000 0.273 226 Q C -1.441 174.560 176.000 0.002 0.000 1.077 226 Q CA -1.023 54.781 55.803 0.001 0.000 0.843 226 Q CB 2.221 30.960 28.738 0.002 0.000 1.367 226 Q HN 0.592 nan 8.270 nan 0.000 0.449 227 V N 0.519 120.433 119.914 0.001 0.000 2.888 227 V HA 0.303 4.423 4.120 -0.000 0.000 0.309 227 V C -1.535 174.560 176.094 0.002 0.000 1.114 227 V CA -0.520 61.781 62.300 0.002 0.000 0.940 227 V CB 2.153 33.976 31.823 -0.000 0.000 1.021 227 V HN 0.841 nan 8.190 nan 0.000 0.426 228 E N 4.389 124.591 120.200 0.004 0.000 2.200 228 E HA 0.622 4.972 4.350 -0.000 0.000 0.283 228 E C -1.644 174.958 176.600 0.004 0.000 1.015 228 E CA -0.451 55.951 56.400 0.005 0.000 0.819 228 E CB 1.807 31.511 29.700 0.007 0.000 1.081 228 E HN 0.580 nan 8.360 nan 0.000 0.397 229 V N 5.028 124.943 119.914 0.003 0.000 2.487 229 V HA 0.270 4.390 4.120 -0.000 0.000 0.298 229 V C -0.348 175.750 176.094 0.006 0.000 1.028 229 V CA -0.884 61.416 62.300 0.000 0.000 0.860 229 V CB 1.789 33.607 31.823 -0.008 0.000 0.991 229 V HN 0.502 nan 8.190 nan 0.000 0.427 230 V N 6.680 126.601 119.914 0.012 0.000 2.370 230 V HA 0.567 4.687 4.120 -0.000 0.000 0.279 230 V C -0.425 175.682 176.094 0.022 0.000 1.029 230 V CA -0.323 61.992 62.300 0.024 0.000 0.870 230 V CB 1.329 33.173 31.823 0.035 0.000 0.984 230 V HN 0.636 nan 8.190 nan 0.000 0.451 231 L N 5.186 126.424 121.223 0.024 0.000 2.354 231 L HA 0.702 5.042 4.340 -0.000 0.000 0.264 231 L C -0.161 176.747 176.870 0.063 0.000 1.008 231 L CA -0.502 54.338 54.840 -0.000 0.000 0.819 231 L CB 1.914 43.958 42.059 -0.026 0.000 1.339 231 L HN 0.821 nan 8.230 nan 0.000 0.420 232 H N 0.062 119.142 119.070 0.016 0.000 2.865 232 H HA 0.872 5.427 4.556 -0.000 0.000 0.372 232 H C -0.988 174.352 175.328 0.021 0.000 1.173 232 H CA -1.170 54.888 56.048 0.017 0.000 1.147 232 H CB 1.701 31.474 29.762 0.017 0.000 1.805 232 H HN 0.776 nan 8.280 nan 0.000 0.553 233 A N 2.246 125.199 122.820 0.222 0.000 2.445 233 A HA 0.298 4.618 4.320 -0.000 0.000 0.242 233 A C -2.363 175.346 177.584 0.209 0.000 1.075 233 A CA -1.353 50.770 52.037 0.143 0.000 0.777 233 A CB -0.615 18.454 19.000 0.114 0.000 1.013 233 A HN 0.554 nan 8.150 nan 0.000 0.493 234 P HA 0.216 nan 4.420 nan 0.000 0.263 234 P C 0.847 178.225 177.300 0.130 0.000 1.195 234 P CA 1.699 64.861 63.100 0.103 0.000 0.762 234 P CB 0.383 32.120 31.700 0.062 0.000 0.799 235 G N 2.787 111.685 108.800 0.163 0.000 2.225 235 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.267 235 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.267 235 G C 0.331 175.274 174.900 0.071 0.000 1.024 235 G CA 0.109 45.274 45.100 0.109 0.000 0.784 235 G HN 0.873 nan 8.290 nan 0.000 0.507 236 A N -0.562 122.316 122.820 0.097 0.000 3.409 236 A HA 0.768 5.088 4.320 -0.000 0.000 0.282 236 A C -0.889 176.577 177.584 -0.195 0.000 1.064 236 A CA -0.019 52.019 52.037 0.001 0.000 0.889 236 A CB 1.004 20.040 19.000 0.060 0.000 1.251 236 A HN 0.060 nan 8.150 nan 0.000 0.538 237 P HA -0.179 nan 4.420 nan 0.000 0.219 237 P C 1.628 178.666 177.300 -0.436 0.000 1.146 237 P CA 2.099 64.578 63.100 -1.035 0.000 0.808 237 P CB 0.092 31.449 31.700 -0.572 0.000 0.779 238 S N -1.742 113.830 115.700 -0.212 0.000 2.489 238 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 238 S C 1.242 175.814 174.600 -0.046 0.000 0.995 238 S CA 0.192 58.333 58.200 -0.099 0.000 0.934 238 S CB -1.203 61.961 63.200 -0.060 0.000 0.771 238 S HN 0.003 nan 8.310 nan 0.000 0.522 239 N N 3.353 122.036 118.700 -0.028 0.000 3.124 239 N HA 0.169 4.909 4.740 -0.000 0.000 0.284 239 N C -0.278 175.283 175.510 0.085 0.000 1.209 239 N CA 0.068 53.137 53.050 0.032 0.000 1.149 239 N CB -0.056 38.455 38.487 0.040 0.000 1.434 239 N HN 0.565 nan 8.380 nan 0.000 0.529 240 T N -0.577 114.017 114.554 0.067 0.000 2.944 240 T HA 0.654 5.003 4.350 -0.000 0.000 0.284 240 T C -0.022 174.713 174.700 0.058 0.000 1.010 240 T CA -0.887 61.269 62.100 0.092 0.000 1.025 240 T CB 1.861 70.781 68.868 0.086 0.000 1.079 240 T HN 0.085 nan 8.240 nan 0.000 0.516 241 R N 0.102 120.634 120.500 0.054 0.000 2.740 241 R HA 0.576 4.916 4.340 -0.000 0.000 0.273 241 R C -1.224 175.093 176.300 0.029 0.000 0.998 241 R CA -0.686 55.435 56.100 0.034 0.000 0.900 241 R CB 2.194 32.511 30.300 0.027 0.000 1.223 241 R HN 0.847 nan 8.270 nan 0.000 0.466 242 T N 3.006 117.573 114.554 0.021 0.000 2.786 242 T HA 0.572 4.922 4.350 -0.000 0.000 0.283 242 T C -0.023 174.684 174.700 0.012 0.000 0.992 242 T CA -0.541 61.569 62.100 0.017 0.000 0.954 242 T CB 0.869 69.747 68.868 0.016 0.000 0.934 242 T HN 0.196 nan 8.240 nan 0.000 0.440 243 L N 2.994 124.222 121.223 0.009 0.000 2.334 243 L HA 0.533 4.873 4.340 -0.000 0.000 0.276 243 L C 0.006 176.878 176.870 0.004 0.000 1.014 243 L CA -1.116 53.727 54.840 0.005 0.000 0.815 243 L CB 1.631 43.691 42.059 0.002 0.000 1.268 243 L HN 0.349 nan 8.230 nan 0.000 0.428 244 Q N 4.538 124.340 119.800 0.003 0.000 2.509 244 Q HA 0.486 4.826 4.340 -0.000 0.000 0.236 244 Q C -0.878 175.122 176.000 0.000 0.000 1.073 244 Q CA -0.182 55.623 55.803 0.002 0.000 0.867 244 Q CB 1.730 30.469 28.738 0.003 0.000 1.181 244 Q HN 0.536 nan 8.270 nan 0.000 0.526 245 L N 1.118 122.340 121.223 -0.001 0.000 2.325 245 L HA 0.477 4.817 4.340 -0.000 0.000 0.279 245 L C 0.460 177.329 176.870 -0.003 0.000 1.054 245 L CA -0.559 54.280 54.840 -0.003 0.000 0.804 245 L CB 1.143 43.199 42.059 -0.006 0.000 1.200 245 L HN 0.226 nan 8.230 nan 0.000 0.436 246 T N 2.359 116.911 114.554 -0.003 0.000 2.744 246 T HA 0.317 4.667 4.350 -0.000 0.000 0.291 246 T C 0.167 174.865 174.700 -0.004 0.000 0.957 246 T CA -0.613 61.486 62.100 -0.003 0.000 1.002 246 T CB 0.391 69.258 68.868 -0.002 0.000 0.919 246 T HN 0.421 nan 8.240 nan 0.000 0.468 247 R N 3.238 123.736 120.500 -0.003 0.000 2.489 247 R HA 0.321 4.661 4.340 -0.000 0.000 0.287 247 R C 0.202 176.500 176.300 -0.004 0.000 1.053 247 R CA 0.032 56.130 56.100 -0.004 0.000 1.036 247 R CB 0.422 30.720 30.300 -0.003 0.000 0.966 247 R HN 0.621 nan 8.270 nan 0.000 0.432 248 Q N 1.017 120.814 119.800 -0.005 0.000 2.482 248 Q HA 0.203 4.543 4.340 -0.000 0.000 0.286 248 Q C -1.262 174.734 176.000 -0.006 0.000 1.007 248 Q CA -0.988 54.812 55.803 -0.005 0.000 0.801 248 Q CB 2.908 31.642 28.738 -0.006 0.000 1.455 248 Q HN 0.383 nan 8.270 nan 0.000 0.398 249 K N 0.966 121.363 120.400 -0.005 0.000 2.436 249 K HA 0.251 4.571 4.320 -0.000 0.000 0.275 249 K C -1.088 175.507 176.600 -0.008 0.000 0.999 249 K CA 0.065 56.349 56.287 -0.006 0.000 0.980 249 K CB 0.540 33.037 32.500 -0.005 0.000 0.919 249 K HN 0.309 nan 8.250 nan 0.000 0.484 250 V N 3.575 123.483 119.914 -0.009 0.000 2.448 250 V HA 0.239 4.359 4.120 -0.000 0.000 0.295 250 V C -0.646 175.440 176.094 -0.012 0.000 1.025 250 V CA -0.706 61.587 62.300 -0.011 0.000 0.859 250 V CB 1.968 33.783 31.823 -0.013 0.000 0.988 250 V HN 0.865 nan 8.190 nan 0.000 0.431 251 T N 6.237 120.783 114.554 -0.013 0.000 2.912 251 T HA 0.559 4.909 4.350 -0.000 0.000 0.326 251 T C -0.226 174.462 174.700 -0.019 0.000 1.080 251 T CA -0.091 62.000 62.100 -0.015 0.000 1.000 251 T CB 0.320 69.180 68.868 -0.013 0.000 1.008 251 T HN 0.371 nan 8.240 nan 0.000 0.473 252 I N 3.536 124.092 120.570 -0.023 0.000 2.325 252 I HA 0.240 4.409 4.170 -0.000 0.000 0.291 252 I C 0.615 176.709 176.117 -0.038 0.000 1.019 252 I CA -0.724 60.557 61.300 -0.031 0.000 1.302 252 I CB 0.700 38.678 38.000 -0.037 0.000 1.401 252 I HN 0.466 nan 8.210 nan 0.000 0.485 253 N N 9.565 128.242 118.700 -0.038 0.000 2.399 253 N HA 0.153 4.893 4.740 -0.000 0.000 0.259 253 N C -1.382 174.088 175.510 -0.066 0.000 1.160 253 N CA -1.446 51.578 53.050 -0.043 0.000 0.946 253 N CB 0.889 39.357 38.487 -0.032 0.000 1.156 253 N HN 0.289 nan 8.380 nan 0.000 0.489 254 P HA -0.161 nan 4.420 nan 0.000 0.215 254 P C -0.452 176.756 177.300 -0.154 0.000 1.157 254 P CA 1.104 64.123 63.100 -0.135 0.000 0.874 254 P CB 0.296 31.916 31.700 -0.133 0.000 0.790 255 V N -0.452 119.396 119.914 -0.109 0.000 2.638 255 V HA 0.443 4.563 4.120 -0.000 0.000 0.306 255 V C -0.035 176.042 176.094 -0.029 0.000 1.052 255 V CA -0.466 61.770 62.300 -0.106 0.000 0.885 255 V CB 1.959 33.706 31.823 -0.127 0.000 0.999 255 V HN 0.214 nan 8.190 nan 0.000 0.424 256 T N 1.658 116.203 114.554 -0.016 0.000 2.906 256 T HA 0.927 5.277 4.350 -0.000 0.000 0.295 256 T C -0.916 173.862 174.700 0.130 0.000 1.061 256 T CA -0.676 61.454 62.100 0.049 0.000 1.000 256 T CB 2.248 71.129 68.868 0.022 0.000 1.103 256 T HN 0.909 nan 8.240 nan 0.000 0.486 257 F N -1.488 118.426 119.950 -0.061 0.000 2.686 257 F HA 0.886 5.413 4.527 -0.000 0.000 0.311 257 F C -0.826 174.994 175.800 0.033 0.000 1.128 257 F CA -0.847 57.125 58.000 -0.046 0.000 0.946 257 F CB 1.753 40.664 39.000 -0.149 0.000 1.336 257 F HN 0.897 nan 8.300 nan 0.000 0.457 258 T N -0.200 114.448 114.554 0.157 0.000 2.769 258 T HA 0.538 4.888 4.350 -0.000 0.000 0.306 258 T C -1.653 173.141 174.700 0.156 0.000 1.400 258 T CA -0.450 61.658 62.100 0.013 0.000 1.007 258 T CB 1.917 70.780 68.868 -0.010 0.000 1.392 258 T HN 0.889 nan 8.240 nan 0.000 0.500 259 T N 1.979 116.584 114.554 0.085 0.000 2.794 259 T HA 0.526 4.875 4.350 -0.000 0.000 0.280 259 T C -0.362 174.375 174.700 0.061 0.000 0.987 259 T CA -0.349 61.811 62.100 0.100 0.000 0.993 259 T CB 0.064 68.982 68.868 0.084 0.000 0.939 259 T HN 0.734 nan 8.240 nan 0.000 0.449 260 C N 3.283 122.625 119.300 0.071 0.000 2.295 260 C HA 0.693 5.153 4.460 -0.000 0.000 0.331 260 C C 0.973 175.983 174.990 0.034 0.000 1.280 260 C CA -0.745 58.295 59.018 0.037 0.000 1.746 260 C CB 0.034 27.794 27.740 0.033 0.000 2.328 260 C HN 0.859 nan 8.230 nan 0.000 0.521 261 S N 1.555 117.265 115.700 0.017 0.000 2.638 261 S HA 0.423 4.893 4.470 -0.000 0.000 0.298 261 S C 0.193 174.799 174.600 0.010 0.000 1.111 261 S CA -0.545 57.665 58.200 0.015 0.000 1.027 261 S CB 0.663 63.870 63.200 0.010 0.000 1.064 261 S HN 0.940 nan 8.310 nan 0.000 0.525 262 N N -0.337 118.369 118.700 0.010 0.000 2.725 262 N HA -0.141 4.598 4.740 -0.000 0.000 0.251 262 N C -0.710 174.806 175.510 0.010 0.000 1.031 262 N CA -0.011 53.043 53.050 0.007 0.000 0.720 262 N CB -1.272 37.216 38.487 0.003 0.000 0.930 262 N HN 0.220 nan 8.380 nan 0.000 0.543 263 V N 0.551 120.476 119.914 0.018 0.000 2.637 263 V HA 0.376 4.496 4.120 -0.000 0.000 0.296 263 V C 1.263 177.371 176.094 0.023 0.000 1.046 263 V CA -0.136 62.179 62.300 0.025 0.000 1.066 263 V CB 1.085 32.934 31.823 0.042 0.000 0.968 263 V HN 0.444 nan 8.190 nan 0.000 0.483 264 A N 4.335 127.169 122.820 0.024 0.000 2.531 264 A HA 0.425 4.745 4.320 -0.000 0.000 0.236 264 A C 1.629 179.231 177.584 0.030 0.000 1.062 264 A CA 0.422 52.473 52.037 0.023 0.000 0.760 264 A CB 0.075 19.088 19.000 0.022 0.000 0.995 264 A HN 1.403 nan 8.150 nan 0.000 0.501 265 A N 2.537 125.371 122.820 0.023 0.000 1.978 265 A HA 0.070 4.389 4.320 -0.000 0.000 0.220 265 A C 2.361 179.968 177.584 0.039 0.000 1.170 265 A CA 2.385 54.435 52.037 0.022 0.000 0.636 265 A CB -0.966 18.043 19.000 0.015 0.000 0.810 265 A HN 1.828 nan 8.150 nan 0.000 0.448 266 A N -0.513 122.333 122.820 0.043 0.000 1.978 266 A HA 0.167 4.487 4.320 -0.000 0.000 0.220 266 A C 2.215 179.857 177.584 0.096 0.000 1.170 266 A CA 1.910 53.982 52.037 0.057 0.000 0.636 266 A CB -0.638 18.388 19.000 0.044 0.000 0.810 266 A HN 1.148 nan 8.150 nan 0.000 0.448 267 A N -1.303 121.578 122.820 0.103 0.000 2.275 267 A HA 0.537 4.857 4.320 -0.000 0.000 0.212 267 A C 0.698 178.438 177.584 0.260 0.000 1.201 267 A CA -0.225 51.912 52.037 0.167 0.000 0.843 267 A CB -0.182 18.890 19.000 0.121 0.000 0.873 267 A HN 0.398 nan 8.150 nan 0.000 0.492 268 L N 1.043 122.349 121.223 0.139 0.000 2.399 268 L HA 0.373 4.712 4.340 -0.000 0.000 0.265 268 L C -2.147 174.605 176.870 -0.197 0.000 1.089 268 L CA -2.366 52.473 54.840 -0.002 0.000 0.802 268 L CB 1.169 43.200 42.059 -0.046 0.000 1.180 268 L HN 0.043 nan 8.230 nan 0.000 0.454 269 P HA 0.201 nan 4.420 nan 0.000 0.274 269 P C -2.635 174.473 177.300 -0.321 0.000 1.231 269 P CA -1.679 60.898 63.100 -0.872 0.000 0.790 269 P CB -0.315 30.732 31.700 -1.088 0.000 0.951 270 P HA 0.037 nan 4.420 nan 0.000 0.264 270 P C 0.980 178.222 177.300 -0.097 0.000 1.193 270 P CA 1.033 64.078 63.100 -0.091 0.000 0.763 270 P CB -0.258 31.419 31.700 -0.039 0.000 0.810 271 G N 1.667 110.426 108.800 -0.069 0.000 2.143 271 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.248 271 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.248 271 G C 0.436 175.294 174.900 -0.070 0.000 0.991 271 G CA -0.001 45.063 45.100 -0.059 0.000 0.689 271 G HN 0.885 nan 8.290 nan 0.000 0.522 272 A N -0.214 122.551 122.820 -0.092 0.000 2.511 272 A HA 0.680 5.000 4.320 -0.000 0.000 0.242 272 A C 1.443 178.995 177.584 -0.053 0.000 1.069 272 A CA 1.233 53.216 52.037 -0.090 0.000 0.763 272 A CB 0.579 19.518 19.000 -0.102 0.000 1.001 272 A HN 1.846 nan 8.150 nan 0.000 0.498 273 A N 1.953 124.747 122.820 -0.043 0.000 2.348 273 A HA 0.436 4.756 4.320 -0.000 0.000 0.224 273 A C 0.679 178.252 177.584 -0.019 0.000 1.227 273 A CA 0.471 52.492 52.037 -0.027 0.000 0.885 273 A CB 0.007 18.993 19.000 -0.023 0.000 0.933 273 A HN 0.736 nan 8.150 nan 0.000 0.506 274 K N -0.538 119.850 120.400 -0.020 0.000 2.542 274 K HA 0.345 4.665 4.320 -0.000 0.000 0.259 274 K C -1.156 175.439 176.600 -0.008 0.000 0.932 274 K CA -0.355 55.926 56.287 -0.009 0.000 0.820 274 K CB 1.428 33.925 32.500 -0.005 0.000 1.345 274 K HN 0.160 nan 8.250 nan 0.000 0.432 275 Q N 2.137 121.937 119.800 -0.001 0.000 2.894 275 Q HA 0.164 4.504 4.340 -0.000 0.000 0.358 275 Q C -0.919 175.091 176.000 0.016 0.000 1.155 275 Q CA -0.002 55.804 55.803 0.005 0.000 0.960 275 Q CB 0.837 29.579 28.738 0.006 0.000 1.428 275 Q HN 0.234 nan 8.270 nan 0.000 0.437 276 Q N 0.819 120.631 119.800 0.020 0.000 2.356 276 Q HA 0.594 4.934 4.340 -0.000 0.000 0.270 276 Q C -1.475 174.559 176.000 0.057 0.000 1.058 276 Q CA -0.559 55.267 55.803 0.038 0.000 0.802 276 Q CB 1.616 30.375 28.738 0.035 0.000 1.303 276 Q HN 0.350 nan 8.270 nan 0.000 0.444 277 L N 1.174 122.448 121.223 0.085 0.000 2.381 277 L HA 0.720 5.060 4.340 -0.000 0.000 0.268 277 L C 0.071 177.033 176.870 0.153 0.000 0.997 277 L CA -1.053 53.866 54.840 0.131 0.000 0.818 277 L CB 2.158 44.321 42.059 0.172 0.000 1.310 277 L HN 0.723 nan 8.230 nan 0.000 0.416 278 G N 0.790 109.696 108.800 0.177 0.000 2.332 278 G HA2 0.404 4.364 3.960 -0.000 0.000 0.310 278 G HA3 0.404 4.364 3.960 -0.000 0.000 0.310 278 G C -1.769 173.279 174.900 0.246 0.000 1.123 278 G CA -0.117 45.102 45.100 0.199 0.000 0.873 278 G HN 0.466 nan 8.290 nan 0.000 0.460 279 Y N 2.920 123.289 120.300 0.116 0.000 2.341 279 Y HA 0.597 5.147 4.550 -0.000 0.000 0.338 279 Y C -0.966 174.987 175.900 0.088 0.000 0.965 279 Y CA -0.956 57.197 58.100 0.090 0.000 1.108 279 Y CB 2.085 40.581 38.460 0.060 0.000 1.180 279 Y HN 0.376 nan 8.280 nan 0.000 0.458 280 V N 7.345 126.887 119.914 -0.620 0.000 2.443 280 V HA 0.433 4.553 4.120 -0.000 0.000 0.293 280 V C -0.812 174.828 176.094 -0.756 0.000 1.021 280 V CA -0.825 61.151 62.300 -0.540 0.000 0.848 280 V CB 1.326 32.892 31.823 -0.428 0.000 0.998 280 V HN 0.662 nan 8.190 nan 0.000 0.424 281 R N 4.897 125.023 120.500 -0.623 0.000 2.207 281 R HA 0.549 4.888 4.340 -0.000 0.000 0.334 281 R C -1.271 174.879 176.300 -0.250 0.000 1.013 281 R CA -0.156 55.700 56.100 -0.407 0.000 0.858 281 R CB 0.774 30.998 30.300 -0.127 0.000 1.094 281 R HN 0.729 nan 8.270 nan 0.000 0.457 282 L N 4.607 125.682 121.223 -0.246 0.000 2.313 282 L HA 0.471 4.811 4.340 -0.000 0.000 0.273 282 L C 0.331 177.029 176.870 -0.286 0.000 1.028 282 L CA -0.228 54.434 54.840 -0.297 0.000 0.871 282 L CB 1.445 43.318 42.059 -0.311 0.000 1.242 282 L HN 0.993 nan 8.230 nan 0.000 0.434 283 A N 2.478 125.155 122.820 -0.238 0.000 2.095 283 A HA 0.191 4.511 4.320 -0.000 0.000 0.212 283 A C 0.795 178.268 177.584 -0.185 0.000 1.162 283 A CA 0.737 52.676 52.037 -0.164 0.000 0.753 283 A CB 0.234 19.174 19.000 -0.100 0.000 0.840 283 A HN 0.551 nan 8.150 nan 0.000 0.468 284 T N -1.971 112.409 114.554 -0.291 0.000 2.830 284 T HA 0.525 4.875 4.350 -0.000 0.000 0.322 284 T C -2.070 172.389 174.700 -0.401 0.000 1.501 284 T CA -0.547 61.413 62.100 -0.233 0.000 1.036 284 T CB 0.589 69.397 68.868 -0.101 0.000 1.379 284 T HN 0.060 nan 8.240 nan 0.000 0.493 285 F N 4.761 124.690 119.950 -0.035 0.000 2.361 285 F HA 0.510 5.037 4.527 -0.000 0.000 0.364 285 F C 1.042 176.825 175.800 -0.028 0.000 1.117 285 F CA -0.501 57.476 58.000 -0.039 0.000 1.071 285 F CB 0.944 39.915 39.000 -0.048 0.000 1.188 285 F HN 0.680 nan 8.300 nan 0.000 0.464 286 N N -0.813 117.941 118.700 0.090 0.000 3.387 286 N HA 0.236 4.976 4.740 -0.000 0.000 0.322 286 N C 0.433 175.970 175.510 0.045 0.000 1.588 286 N CA -0.536 52.549 53.050 0.059 0.000 0.778 286 N CB 1.082 39.582 38.487 0.021 0.000 1.883 286 N HN 0.282 nan 8.380 nan 0.000 0.628 287 S N -0.331 115.386 115.700 0.029 0.000 2.419 287 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 287 S C 0.963 175.569 174.600 0.011 0.000 1.019 287 S CA 1.015 59.228 58.200 0.022 0.000 0.982 287 S CB -0.622 62.589 63.200 0.018 0.000 0.789 287 S HN 0.524 nan 8.310 nan 0.000 0.490 288 N N 0.932 119.632 118.700 0.000 0.000 2.422 288 N HA 0.113 4.853 4.740 -0.000 0.000 0.181 288 N C 1.369 176.864 175.510 -0.024 0.000 1.080 288 N CA 0.975 54.018 53.050 -0.012 0.000 0.893 288 N CB -0.569 37.907 38.487 -0.019 0.000 0.973 288 N HN 0.483 nan 8.380 nan 0.000 0.456 289 T N 0.360 114.899 114.554 -0.025 0.000 2.652 289 T HA -0.125 4.224 4.350 -0.000 0.000 0.267 289 T C 1.888 176.572 174.700 -0.028 0.000 1.039 289 T CA 1.734 63.802 62.100 -0.053 0.000 1.153 289 T CB -0.508 68.331 68.868 -0.049 0.000 0.863 289 T HN 0.244 nan 8.240 nan 0.000 0.428 290 T N 2.033 116.593 114.554 0.010 0.000 2.635 290 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 290 T C 2.381 177.077 174.700 -0.006 0.000 1.040 290 T CA 1.411 63.520 62.100 0.016 0.000 1.156 290 T CB -0.675 68.204 68.868 0.019 0.000 0.863 290 T HN 0.455 nan 8.240 nan 0.000 0.430 291 A N 1.248 124.061 122.820 -0.012 0.000 1.933 291 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 291 A C 2.613 180.173 177.584 -0.041 0.000 1.175 291 A CA 1.921 53.947 52.037 -0.018 0.000 0.628 291 A CB -1.042 17.951 19.000 -0.012 0.000 0.814 291 A HN 0.526 nan 8.150 nan 0.000 0.444 292 A N -0.310 122.479 122.820 -0.052 0.000 1.898 292 A HA 0.238 4.558 4.320 -0.000 0.000 0.216 292 A C 2.471 179.959 177.584 -0.160 0.000 1.181 292 A CA 1.862 53.852 52.037 -0.077 0.000 0.620 292 A CB -0.897 18.067 19.000 -0.061 0.000 0.819 292 A HN 1.010 nan 8.150 nan 0.000 0.442 293 A N -0.791 121.935 122.820 -0.157 0.000 1.969 293 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 293 A C 2.177 179.648 177.584 -0.190 0.000 1.169 293 A CA 1.638 53.526 52.037 -0.247 0.000 0.635 293 A CB -0.525 18.435 19.000 -0.067 0.000 0.810 293 A HN 0.662 nan 8.150 nan 0.000 0.445 294 Q N -0.841 118.926 119.800 -0.055 0.000 2.050 294 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 294 Q C 2.317 178.259 176.000 -0.097 0.000 0.980 294 Q CA 1.723 57.523 55.803 -0.005 0.000 0.840 294 Q CB -0.213 28.524 28.738 -0.002 0.000 0.898 294 Q HN 0.719 nan 8.270 nan 0.000 0.424 295 Q N -0.338 119.368 119.800 -0.158 0.000 2.050 295 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 295 Q C 1.948 177.669 176.000 -0.465 0.000 0.980 295 Q CA 1.535 57.219 55.803 -0.198 0.000 0.840 295 Q CB -0.171 28.497 28.738 -0.117 0.000 0.898 295 Q HN 0.500 nan 8.270 nan 0.000 0.424 296 A N -0.014 122.336 122.820 -0.783 0.000 1.877 296 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 296 A C 1.901 178.948 177.584 -0.894 0.000 1.186 296 A CA 1.324 52.482 52.037 -1.465 0.000 0.620 296 A CB -1.069 17.102 19.000 -1.383 0.000 0.822 296 A HN 0.425 nan 8.150 nan 0.000 0.443 297 F N 0.254 119.989 119.950 -0.358 0.000 2.186 297 F HA -0.143 4.383 4.527 -0.000 0.000 0.299 297 F C 2.793 178.495 175.800 -0.163 0.000 1.090 297 F CA 1.408 59.282 58.000 -0.211 0.000 1.307 297 F CB -0.546 38.371 39.000 -0.138 0.000 1.019 297 F HN 0.140 nan 8.300 nan 0.000 0.489 298 T N -0.645 113.905 114.554 -0.007 0.000 2.674 298 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 298 T C 1.857 176.542 174.700 -0.026 0.000 1.039 298 T CA 1.390 63.483 62.100 -0.011 0.000 1.150 298 T CB -0.199 68.650 68.868 -0.032 0.000 0.864 298 T HN 0.077 nan 8.240 nan 0.000 0.427 299 E N 1.049 121.197 120.200 -0.087 0.000 2.058 299 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 299 E C 2.314 178.935 176.600 0.035 0.000 0.997 299 E CA 0.881 57.276 56.400 -0.009 0.000 0.801 299 E CB -0.566 29.164 29.700 0.050 0.000 0.746 299 E HN 0.456 nan 8.360 nan 0.000 0.450 300 L N 0.312 121.535 121.223 0.000 0.000 2.083 300 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 300 L C 2.630 179.543 176.870 0.071 0.000 1.083 300 L CA 1.203 56.084 54.840 0.068 0.000 0.752 300 L CB -0.441 41.663 42.059 0.074 0.000 0.899 300 L HN 0.091 nan 8.230 nan 0.000 0.433 301 S N -0.088 115.648 115.700 0.060 0.000 2.368 301 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 301 S C 1.982 176.604 174.600 0.037 0.000 1.029 301 S CA 1.120 59.350 58.200 0.050 0.000 0.988 301 S CB 0.017 63.243 63.200 0.043 0.000 0.838 301 S HN 0.319 nan 8.310 nan 0.000 0.462 302 K N 0.507 120.927 120.400 0.035 0.000 2.147 302 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 302 K C 2.270 178.891 176.600 0.036 0.000 1.049 302 K CA 1.348 57.653 56.287 0.031 0.000 0.936 302 K CB -0.170 32.348 32.500 0.030 0.000 0.722 302 K HN 0.526 nan 8.250 nan 0.000 0.446 303 Q N -0.350 119.479 119.800 0.049 0.000 2.436 303 Q HA -0.009 4.331 4.340 -0.000 0.000 0.209 303 Q C 0.677 176.702 176.000 0.040 0.000 0.965 303 Q CA 0.561 56.394 55.803 0.050 0.000 0.910 303 Q CB 0.314 29.092 28.738 0.068 0.000 0.980 303 Q HN 0.506 nan 8.270 nan 0.000 0.491 304 G N 1.690 110.513 108.800 0.037 0.000 2.246 304 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.273 304 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.273 304 G C 0.302 175.220 174.900 0.031 0.000 1.055 304 G CA 0.238 45.355 45.100 0.028 0.000 0.851 304 G HN 0.368 nan 8.290 nan 0.000 0.500 305 V N -2.749 117.193 119.914 0.047 0.000 2.999 305 V HA 0.639 4.759 4.120 -0.000 0.000 0.307 305 V C 1.658 177.770 176.094 0.030 0.000 1.084 305 V CA 0.843 63.174 62.300 0.050 0.000 1.155 305 V CB 0.862 32.733 31.823 0.082 0.000 0.975 305 V HN 1.497 nan 8.190 nan 0.000 0.490 306 A N 2.936 125.764 122.820 0.014 0.000 2.014 306 A HA 0.499 4.819 4.320 -0.000 0.000 0.218 306 A C 1.294 178.844 177.584 -0.056 0.000 1.163 306 A CA 1.208 53.227 52.037 -0.030 0.000 0.652 306 A CB -0.722 18.247 19.000 -0.052 0.000 0.808 306 A HN 1.890 nan 8.150 nan 0.000 0.449 307 G N -2.011 106.797 108.800 0.013 0.000 2.677 307 G HA2 0.529 4.489 3.960 -0.000 0.000 0.291 307 G HA3 0.529 4.489 3.960 -0.000 0.000 0.291 307 G C -1.556 173.466 174.900 0.203 0.000 1.435 307 G CA -0.660 44.492 45.100 0.086 0.000 0.826 307 G HN 0.172 nan 8.290 nan 0.000 0.491 308 L N 0.394 121.781 121.223 0.273 0.000 2.365 308 L HA 0.649 4.989 4.340 -0.000 0.000 0.273 308 L C -0.591 176.428 176.870 0.247 0.000 1.000 308 L CA -1.132 53.853 54.840 0.242 0.000 0.819 308 L CB 2.445 44.629 42.059 0.209 0.000 1.284 308 L HN 0.270 nan 8.230 nan 0.000 0.418 309 V N 4.384 124.423 119.914 0.207 0.000 2.326 309 V HA 0.320 4.440 4.120 -0.000 0.000 0.281 309 V C -0.492 175.632 176.094 0.050 0.000 1.015 309 V CA -0.466 61.924 62.300 0.151 0.000 0.823 309 V CB 1.762 33.739 31.823 0.258 0.000 1.009 309 V HN 0.415 nan 8.190 nan 0.000 0.436 310 L N 4.491 125.730 121.223 0.028 0.000 2.265 310 L HA 0.651 4.991 4.340 -0.000 0.000 0.289 310 L C -0.446 176.394 176.870 -0.050 0.000 1.033 310 L CA 0.200 55.030 54.840 -0.017 0.000 0.814 310 L CB 1.263 43.373 42.059 0.084 0.000 1.203 310 L HN 0.614 nan 8.230 nan 0.000 0.423 311 D N 5.289 125.599 120.400 -0.151 0.000 2.427 311 D HA 0.269 4.909 4.640 -0.000 0.000 0.226 311 D C 0.407 176.668 176.300 -0.065 0.000 1.076 311 D CA -0.227 53.731 54.000 -0.071 0.000 0.849 311 D CB 0.669 41.458 40.800 -0.019 0.000 1.052 311 D HN 0.587 nan 8.370 nan 0.000 0.515 312 I N 0.364 120.927 120.570 -0.011 0.000 3.762 312 I HA 0.403 4.573 4.170 -0.000 0.000 0.333 312 I C 0.312 176.444 176.117 0.025 0.000 1.566 312 I CA -0.786 60.516 61.300 0.003 0.000 1.129 312 I CB 0.119 38.154 38.000 0.060 0.000 1.218 312 I HN -0.125 nan 8.210 nan 0.000 0.456 313 R N 1.690 122.205 120.500 0.025 0.000 2.643 313 R HA 0.137 4.477 4.340 -0.000 0.000 0.270 313 R C 0.191 176.506 176.300 0.025 0.000 1.061 313 R CA -0.072 56.048 56.100 0.033 0.000 1.107 313 R CB 0.058 30.381 30.300 0.038 0.000 0.999 313 R HN 0.292 nan 8.270 nan 0.000 0.460 314 N N 1.017 119.735 118.700 0.031 0.000 2.727 314 N HA -0.224 4.516 4.740 -0.000 0.000 0.249 314 N C -1.327 174.188 175.510 0.008 0.000 1.048 314 N CA 0.962 54.023 53.050 0.018 0.000 0.714 314 N CB -1.009 37.485 38.487 0.010 0.000 0.959 314 N HN 0.519 nan 8.380 nan 0.000 0.544 315 N N -0.511 118.204 118.700 0.025 0.000 2.524 315 N HA 0.436 5.176 4.740 -0.000 0.000 0.261 315 N C 1.040 176.591 175.510 0.068 0.000 0.998 315 N CA 0.091 53.160 53.050 0.032 0.000 0.915 315 N CB 0.778 39.282 38.487 0.028 0.000 1.187 315 N HN 0.182 nan 8.380 nan 0.000 0.507 316 G N 1.328 110.150 108.800 0.037 0.000 2.708 316 G HA2 0.297 4.257 3.960 -0.000 0.000 0.210 316 G HA3 0.297 4.257 3.960 -0.000 0.000 0.210 316 G C 0.900 175.830 174.900 0.049 0.000 1.141 316 G CA 0.598 45.705 45.100 0.012 0.000 0.788 316 G HN 1.029 nan 8.290 nan 0.000 0.531 317 G N -1.161 107.731 108.800 0.153 0.000 2.826 317 G HA2 0.350 4.310 3.960 -0.000 0.000 0.233 317 G HA3 0.350 4.310 3.960 -0.000 0.000 0.233 317 G C 0.866 175.896 174.900 0.216 0.000 1.296 317 G CA 0.707 45.901 45.100 0.158 0.000 1.001 317 G HN 2.083 nan 8.290 nan 0.000 0.576 318 G N -0.831 108.030 108.800 0.102 0.000 2.637 318 G HA2 0.168 4.128 3.960 -0.000 0.000 0.211 318 G HA3 0.168 4.128 3.960 -0.000 0.000 0.211 318 G C 0.079 175.036 174.900 0.096 0.000 1.213 318 G CA 0.216 45.384 45.100 0.113 0.000 1.207 318 G HN 1.726 nan 8.290 nan 0.000 0.559 319 L N 2.370 123.669 121.223 0.126 0.000 2.565 319 L HA 0.352 4.692 4.340 -0.000 0.000 0.275 319 L C 1.805 178.682 176.870 0.012 0.000 1.137 319 L CA -0.041 54.853 54.840 0.090 0.000 0.915 319 L CB 0.132 42.251 42.059 0.100 0.000 1.232 319 L HN 0.622 nan 8.230 nan 0.000 0.473 320 F N 7.818 127.693 119.950 -0.126 0.000 2.126 320 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 320 F C -0.798 174.850 175.800 -0.253 0.000 1.096 320 F CA 1.237 59.096 58.000 -0.236 0.000 1.255 320 F CB -0.993 37.919 39.000 -0.147 0.000 0.997 320 F HN 0.481 nan 8.300 nan 0.000 0.479 321 P HA -0.120 nan 4.420 nan 0.000 0.218 321 P C 1.493 178.613 177.300 -0.300 0.000 1.149 321 P CA 2.144 65.018 63.100 -0.377 0.000 0.817 321 P CB -0.429 31.217 31.700 -0.089 0.000 0.785 322 A N -0.114 122.607 122.820 -0.165 0.000 1.968 322 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 322 A C 2.455 179.992 177.584 -0.077 0.000 1.169 322 A CA 1.751 53.779 52.037 -0.016 0.000 0.638 322 A CB -1.716 17.384 19.000 0.166 0.000 0.812 322 A HN 0.276 nan 8.150 nan 0.000 0.446 323 G N -0.550 107.964 108.800 -0.477 0.000 2.408 323 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.217 323 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.217 323 G C 1.474 176.085 174.900 -0.483 0.000 1.150 323 G CA 1.152 45.818 45.100 -0.724 0.000 0.776 323 G HN 0.284 nan 8.290 nan 0.000 0.542 324 V N 1.621 121.153 119.914 -0.637 0.000 2.358 324 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 324 V C 2.679 178.625 176.094 -0.248 0.000 1.047 324 V CA 1.842 63.839 62.300 -0.505 0.000 1.035 324 V CB -0.489 30.924 31.823 -0.683 0.000 0.658 324 V HN 0.298 nan 8.190 nan 0.000 0.452 325 N N 0.370 118.956 118.700 -0.190 0.000 2.104 325 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 325 N C 1.771 177.257 175.510 -0.040 0.000 1.024 325 N CA 1.503 54.505 53.050 -0.081 0.000 0.853 325 N CB -0.686 37.777 38.487 -0.040 0.000 1.008 325 N HN 0.362 nan 8.380 nan 0.000 0.424 326 V N 1.476 121.387 119.914 -0.004 0.000 2.343 326 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 326 V C 2.405 178.478 176.094 -0.035 0.000 1.051 326 V CA 1.744 64.079 62.300 0.059 0.000 1.036 326 V CB -0.995 30.947 31.823 0.200 0.000 0.654 326 V HN 0.313 nan 8.190 nan 0.000 0.451 327 A N -0.266 122.504 122.820 -0.083 0.000 1.902 327 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 327 A C 1.728 179.249 177.584 -0.105 0.000 1.181 327 A CA 0.963 52.937 52.037 -0.106 0.000 0.623 327 A CB -0.335 18.588 19.000 -0.127 0.000 0.818 327 A HN 0.528 nan 8.150 nan 0.000 0.443 331 V N 0.754 120.600 119.914 -0.114 0.000 2.555 331 V HA 0.334 4.454 4.120 -0.000 0.000 0.302 331 V C 0.044 176.103 176.094 -0.059 0.000 1.038 331 V CA -0.443 61.811 62.300 -0.076 0.000 0.887 331 V CB 2.147 33.932 31.823 -0.064 0.000 0.991 331 V HN 0.079 nan 8.190 nan 0.000 0.434 332 D N 2.245 122.618 120.400 -0.046 0.000 2.216 332 D HA 0.113 4.753 4.640 -0.000 0.000 0.208 332 D C 0.634 176.918 176.300 -0.027 0.000 0.960 332 D CA 0.687 54.665 54.000 -0.036 0.000 0.861 332 D CB 0.594 41.376 40.800 -0.031 0.000 0.985 332 D HN 0.298 nan 8.370 nan 0.000 0.493 333 R N -0.522 119.964 120.500 -0.024 0.000 2.808 333 R HA 0.620 4.960 4.340 -0.000 0.000 0.272 333 R C 0.049 176.340 176.300 -0.014 0.000 0.995 333 R CA -0.476 55.614 56.100 -0.017 0.000 0.917 333 R CB 2.191 32.483 30.300 -0.015 0.000 1.217 333 R HN 0.172 nan 8.270 nan 0.000 0.471 334 G N 1.325 110.120 108.800 -0.008 0.000 2.459 334 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.685 334 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.685 334 G C -1.549 173.353 174.900 0.004 0.000 1.303 334 G CA -0.968 44.130 45.100 -0.004 0.000 0.907 334 G HN 0.416 nan 8.290 nan 0.000 0.632 335 D N -0.006 120.400 120.400 0.010 0.000 2.341 335 D HA 0.483 5.123 4.640 -0.000 0.000 0.245 335 D C 1.469 177.788 176.300 0.030 0.000 1.106 335 D CA -0.160 53.856 54.000 0.027 0.000 0.905 335 D CB 1.640 42.456 40.800 0.027 0.000 1.202 335 D HN 0.328 nan 8.370 nan 0.000 0.426 336 L N 0.949 122.207 121.223 0.057 0.000 2.445 336 L HA 0.243 4.583 4.340 -0.000 0.000 0.207 336 L C 0.588 177.493 176.870 0.058 0.000 1.053 336 L CA 0.143 55.006 54.840 0.038 0.000 0.841 336 L CB 0.517 42.587 42.059 0.018 0.000 1.074 336 L HN 0.160 nan 8.230 nan 0.000 0.479 337 V N 0.695 120.690 119.914 0.136 0.000 3.000 337 V HA 0.439 4.559 4.120 -0.000 0.000 0.300 337 V C -1.652 174.576 176.094 0.224 0.000 1.251 337 V CA -0.632 61.770 62.300 0.169 0.000 0.972 337 V CB 2.512 34.461 31.823 0.210 0.000 1.065 337 V HN -0.002 nan 8.190 nan 0.000 0.431 338 L N 5.882 127.205 121.223 0.167 0.000 2.325 338 L HA 0.662 5.002 4.340 -0.000 0.000 0.278 338 L C -0.833 176.114 176.870 0.128 0.000 1.023 338 L CA -0.883 54.032 54.840 0.126 0.000 0.811 338 L CB 1.834 43.929 42.059 0.061 0.000 1.249 338 L HN 0.400 nan 8.230 nan 0.000 0.431 339 I N 2.287 122.904 120.570 0.078 0.000 2.355 339 I HA 0.587 4.757 4.170 -0.000 0.000 0.288 339 I C 0.270 176.350 176.117 -0.063 0.000 0.999 339 I CA -0.170 61.121 61.300 -0.014 0.000 1.163 339 I CB 1.151 39.145 38.000 -0.010 0.000 1.316 339 I HN 0.683 nan 8.210 nan 0.000 0.454 340 A N 5.813 128.572 122.820 -0.101 0.000 2.386 340 A HA 0.952 5.272 4.320 -0.000 0.000 0.308 340 A C -0.887 176.608 177.584 -0.148 0.000 1.128 340 A CA -0.349 51.627 52.037 -0.102 0.000 0.789 340 A CB 2.123 21.076 19.000 -0.078 0.000 1.325 340 A HN 0.718 nan 8.150 nan 0.000 0.437 341 D N -2.050 118.264 120.400 -0.144 0.000 2.838 341 D HA 0.268 4.908 4.640 -0.000 0.000 0.334 341 D C 0.816 177.016 176.300 -0.166 0.000 1.315 341 D CA 0.377 54.265 54.000 -0.188 0.000 0.917 341 D CB -0.094 40.579 40.800 -0.213 0.000 1.435 341 D HN 0.553 nan 8.370 nan 0.000 0.517 342 S N -1.217 114.365 115.700 -0.197 0.000 2.440 342 S HA -0.291 4.179 4.470 -0.000 0.000 0.238 342 S C 1.594 176.125 174.600 -0.117 0.000 1.010 342 S CA 1.775 59.879 58.200 -0.161 0.000 0.972 342 S CB -0.522 62.560 63.200 -0.196 0.000 0.774 342 S HN 0.575 nan 8.310 nan 0.000 0.501 343 Q N 1.482 121.214 119.800 -0.113 0.000 2.245 343 Q HA 0.322 4.662 4.340 -0.000 0.000 0.201 343 Q C 0.984 176.944 176.000 -0.067 0.000 0.955 343 Q CA 0.792 56.546 55.803 -0.081 0.000 0.870 343 Q CB -0.062 28.628 28.738 -0.081 0.000 0.945 343 Q HN 0.754 nan 8.270 nan 0.000 0.461 344 G N -0.229 108.527 108.800 -0.074 0.000 2.270 344 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.268 344 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.268 344 G C -1.170 173.693 174.900 -0.062 0.000 1.312 344 G CA -0.583 44.482 45.100 -0.059 0.000 1.050 344 G HN 0.151 nan 8.290 nan 0.000 0.474 345 I N 1.609 122.151 120.570 -0.047 0.000 2.556 345 I HA 0.241 4.411 4.170 -0.000 0.000 0.284 345 I C 1.468 177.556 176.117 -0.048 0.000 1.114 345 I CA -0.482 60.793 61.300 -0.043 0.000 1.418 345 I CB 1.114 39.098 38.000 -0.027 0.000 1.394 345 I HN 0.429 nan 8.210 nan 0.000 0.552 346 R N 2.696 123.163 120.500 -0.055 0.000 2.225 346 R HA 0.286 4.626 4.340 -0.000 0.000 0.194 346 R C -0.183 176.083 176.300 -0.056 0.000 0.957 346 R CA 0.226 56.291 56.100 -0.060 0.000 1.042 346 R CB -0.245 30.009 30.300 -0.075 0.000 1.004 346 R HN 0.606 nan 8.270 nan 0.000 0.509 347 D N -0.890 119.482 120.400 -0.046 0.000 2.648 347 D HA 0.393 5.033 4.640 -0.000 0.000 0.244 347 D C -1.428 174.848 176.300 -0.040 0.000 1.244 347 D CA -0.510 53.449 54.000 -0.069 0.000 0.772 347 D CB 2.053 42.811 40.800 -0.071 0.000 1.379 347 D HN -0.100 nan 8.370 nan 0.000 0.428 348 I N 1.286 121.781 120.570 -0.125 0.000 2.802 348 I HA 0.520 4.690 4.170 -0.000 0.000 0.298 348 I C -1.706 174.305 176.117 -0.176 0.000 1.176 348 I CA -0.714 60.567 61.300 -0.031 0.000 1.025 348 I CB 1.748 39.736 38.000 -0.020 0.000 1.243 348 I HN 0.321 nan 8.210 nan 0.000 0.424 349 Y N 4.330 124.674 120.300 0.073 0.000 2.391 349 Y HA 0.580 5.130 4.550 -0.000 0.000 0.341 349 Y C -0.011 175.902 175.900 0.022 0.000 0.965 349 Y CA -0.314 57.823 58.100 0.062 0.000 1.067 349 Y CB 2.334 40.856 38.460 0.104 0.000 1.199 349 Y HN 0.430 nan 8.280 nan 0.000 0.450 350 S N 0.824 116.595 115.700 0.120 0.000 2.709 350 S HA 0.833 5.303 4.470 -0.000 0.000 0.302 350 S C -0.646 173.978 174.600 0.040 0.000 1.127 350 S CA -0.916 57.321 58.200 0.061 0.000 0.905 350 S CB 1.499 64.712 63.200 0.020 0.000 1.151 350 S HN 0.756 nan 8.310 nan 0.000 0.510 351 A N 1.326 124.153 122.820 0.012 0.000 2.445 351 A HA 0.359 4.679 4.320 -0.000 0.000 0.242 351 A C 0.417 177.998 177.584 -0.004 0.000 1.075 351 A CA -0.070 51.964 52.037 -0.005 0.000 0.777 351 A CB -0.151 18.838 19.000 -0.017 0.000 1.013 351 A HN 0.840 nan 8.150 nan 0.000 0.493 352 D N 0.485 120.880 120.400 -0.008 0.000 2.440 352 D HA 0.280 4.919 4.640 -0.000 0.000 0.216 352 D C 0.864 177.157 176.300 -0.012 0.000 1.150 352 D CA 0.540 54.536 54.000 -0.007 0.000 0.832 352 D CB -0.427 40.372 40.800 -0.001 0.000 0.992 352 D HN 1.412 nan 8.370 nan 0.000 0.502 353 G N 1.092 109.881 108.800 -0.017 0.000 2.198 353 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.257 353 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.257 353 G C 0.232 175.121 174.900 -0.020 0.000 1.042 353 G CA -0.009 45.080 45.100 -0.019 0.000 0.791 353 G HN 0.383 nan 8.290 nan 0.000 0.502 354 N N 0.420 119.106 118.700 -0.023 0.000 2.401 354 N HA 0.193 4.933 4.740 -0.000 0.000 0.264 354 N C 0.967 176.458 175.510 -0.031 0.000 1.238 354 N CA 0.552 53.589 53.050 -0.022 0.000 0.889 354 N CB 0.802 39.279 38.487 -0.017 0.000 1.196 354 N HN 0.743 nan 8.380 nan 0.000 0.511 355 S N -0.487 115.189 115.700 -0.041 0.000 2.569 355 S HA 0.207 4.677 4.470 -0.000 0.000 0.274 355 S C 1.362 175.931 174.600 -0.051 0.000 1.353 355 S CA -0.172 57.992 58.200 -0.060 0.000 1.023 355 S CB 1.022 64.180 63.200 -0.069 0.000 0.876 355 S HN 0.178 nan 8.310 nan 0.000 0.540 356 I N -0.077 120.451 120.570 -0.070 0.000 3.445 356 I HA 0.255 4.425 4.170 -0.000 0.000 0.288 356 I C 0.149 176.235 176.117 -0.052 0.000 1.198 356 I CA 0.387 61.663 61.300 -0.041 0.000 1.417 356 I CB 0.280 38.277 38.000 -0.006 0.000 1.205 356 I HN 0.612 nan 8.210 nan 0.000 0.448 357 D N -0.093 120.243 120.400 -0.107 0.000 2.365 357 D HA 0.170 4.810 4.640 -0.000 0.000 0.235 357 D C -0.069 176.155 176.300 -0.127 0.000 1.368 357 D CA 0.071 54.010 54.000 -0.101 0.000 1.001 357 D CB 1.211 41.958 40.800 -0.088 0.000 1.364 357 D HN 0.034 nan 8.370 nan 0.000 0.577 358 S N 0.932 116.582 115.700 -0.084 0.000 2.578 358 S HA 0.424 4.893 4.470 -0.000 0.000 0.231 358 S C 1.174 175.743 174.600 -0.051 0.000 0.994 358 S CA 0.206 58.358 58.200 -0.079 0.000 0.956 358 S CB 1.138 64.300 63.200 -0.064 0.000 0.870 358 S HN 0.307 nan 8.310 nan 0.000 0.494 359 A N 1.680 124.476 122.820 -0.041 0.000 2.013 359 A HA 0.385 4.705 4.320 -0.000 0.000 0.204 359 A C 1.092 178.666 177.584 -0.017 0.000 1.262 359 A CA 0.306 52.328 52.037 -0.025 0.000 0.800 359 A CB -0.644 18.343 19.000 -0.021 0.000 0.909 359 A HN 0.397 nan 8.150 nan 0.000 0.472 360 T N 3.671 118.217 114.554 -0.013 0.000 2.928 360 T HA 0.337 4.687 4.350 -0.000 0.000 0.305 360 T C -2.535 172.180 174.700 0.023 0.000 1.035 360 T CA -0.440 61.662 62.100 0.003 0.000 1.145 360 T CB 0.372 69.254 68.868 0.023 0.000 0.963 360 T HN 0.141 nan 8.240 nan 0.000 0.545 361 P HA 0.224 nan 4.420 nan 0.000 0.264 361 P C -0.787 176.654 177.300 0.236 0.000 1.183 361 P CA -0.371 62.776 63.100 0.079 0.000 0.763 361 P CB 0.360 32.012 31.700 -0.080 0.000 0.807 362 L N 4.641 126.041 121.223 0.294 0.000 2.401 362 L HA 0.734 5.074 4.340 -0.000 0.000 0.266 362 L C -1.435 175.532 176.870 0.163 0.000 0.991 362 L CA -0.870 54.113 54.840 0.237 0.000 0.818 362 L CB 2.463 44.572 42.059 0.083 0.000 1.321 362 L HN 0.182 nan 8.230 nan 0.000 0.413 363 V N 5.411 125.318 119.914 -0.012 0.000 2.656 363 V HA 0.740 4.859 4.120 -0.000 0.000 0.307 363 V C -1.356 174.675 176.094 -0.105 0.000 1.051 363 V CA -0.406 61.750 62.300 -0.239 0.000 0.893 363 V CB 2.310 33.688 31.823 -0.742 0.000 0.999 363 V HN 0.601 nan 8.190 nan 0.000 0.426 364 V N 7.619 127.486 119.914 -0.079 0.000 2.417 364 V HA 0.498 4.618 4.120 -0.000 0.000 0.291 364 V C -0.112 175.963 176.094 -0.032 0.000 1.024 364 V CA -0.603 61.678 62.300 -0.031 0.000 0.861 364 V CB 1.481 33.297 31.823 -0.012 0.000 0.985 364 V HN 0.741 nan 8.190 nan 0.000 0.436 365 L N 6.269 127.486 121.223 -0.009 0.000 2.275 365 L HA 0.797 5.137 4.340 -0.000 0.000 0.288 365 L C -0.164 176.715 176.870 0.016 0.000 1.046 365 L CA -0.613 54.229 54.840 0.003 0.000 0.805 365 L CB 1.399 43.478 42.059 0.033 0.000 1.193 365 L HN 0.607 nan 8.230 nan 0.000 0.426 366 V N 0.279 120.202 119.914 0.014 0.000 3.078 366 V HA 0.779 4.899 4.120 -0.000 0.000 0.311 366 V C -0.969 175.143 176.094 0.029 0.000 1.138 366 V CA -0.554 61.762 62.300 0.027 0.000 1.007 366 V CB 2.135 33.973 31.823 0.025 0.000 1.045 366 V HN 0.940 nan 8.190 nan 0.000 0.432 367 N N 1.459 120.185 118.700 0.043 0.000 3.316 367 N HA 0.362 5.102 4.740 -0.000 0.000 0.300 367 N C 0.646 176.199 175.510 0.071 0.000 1.567 367 N CA -0.442 52.636 53.050 0.046 0.000 0.821 367 N CB 1.006 39.518 38.487 0.042 0.000 1.748 367 N HN 0.815 nan 8.380 nan 0.000 0.603 368 R N -1.305 119.243 120.500 0.080 0.000 2.285 368 R HA 0.114 4.454 4.340 -0.000 0.000 0.213 368 R C 0.997 177.421 176.300 0.208 0.000 1.068 368 R CA 1.420 57.600 56.100 0.133 0.000 1.004 368 R CB -0.726 29.642 30.300 0.114 0.000 0.873 368 R HN 0.568 nan 8.270 nan 0.000 0.467 369 G N 0.489 109.364 108.800 0.124 0.000 3.042 369 G HA2 0.000 3.960 3.960 -0.000 0.000 0.212 369 G HA3 0.000 3.960 3.960 -0.000 0.000 0.212 369 G C -0.196 174.746 174.900 0.070 0.000 1.166 369 G CA -0.208 44.942 45.100 0.084 0.000 0.767 369 G HN 0.212 nan 8.290 nan 0.000 0.546 370 T N 1.508 116.118 114.554 0.094 0.000 2.749 370 T HA 0.615 4.965 4.350 -0.000 0.000 0.295 370 T C 0.073 174.834 174.700 0.102 0.000 0.936 370 T CA 0.202 62.353 62.100 0.084 0.000 1.060 370 T CB 1.456 70.370 68.868 0.076 0.000 0.904 370 T HN 0.363 nan 8.240 nan 0.000 0.500 371 A N 2.777 125.640 122.820 0.071 0.000 2.566 371 A HA 0.886 5.205 4.320 -0.000 0.000 0.292 371 A C 0.522 178.116 177.584 0.016 0.000 1.112 371 A CA -0.213 51.860 52.037 0.061 0.000 0.707 371 A CB 1.351 20.347 19.000 -0.007 0.000 1.302 371 A HN 0.862 nan 8.150 nan 0.000 0.409 372 S N -1.038 114.666 115.700 0.007 0.000 4.114 372 S HA -0.302 4.167 4.470 -0.000 0.000 0.618 372 S C 1.850 176.343 174.600 -0.178 0.000 1.937 372 S CA 2.296 60.475 58.200 -0.035 0.000 4.228 372 S CB -1.718 61.478 63.200 -0.008 0.000 0.216 372 S HN 2.553 nan 8.310 nan 0.000 0.528 373 A N 0.353 123.050 122.820 -0.204 0.000 1.948 373 A HA -0.058 4.262 4.320 -0.000 0.000 0.220 373 A C 2.360 179.662 177.584 -0.470 0.000 1.177 373 A CA 2.872 54.672 52.037 -0.395 0.000 0.636 373 A CB -1.106 17.607 19.000 -0.479 0.000 0.815 373 A HN 0.920 nan 8.150 nan 0.000 0.449 374 S N -0.343 115.223 115.700 -0.223 0.000 2.368 374 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 374 S C 1.809 176.384 174.600 -0.042 0.000 1.030 374 S CA 1.477 59.685 58.200 0.013 0.000 0.999 374 S CB -0.299 63.020 63.200 0.200 0.000 0.844 374 S HN 0.725 nan 8.310 nan 0.000 0.459 375 E N 0.502 120.665 120.200 -0.062 0.000 2.106 375 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 375 E C 2.090 178.625 176.600 -0.108 0.000 0.984 375 E CA 0.843 57.212 56.400 -0.052 0.000 0.806 375 E CB -0.158 29.528 29.700 -0.023 0.000 0.750 375 E HN 0.243 nan 8.360 nan 0.000 0.458 376 V N 1.510 121.297 119.914 -0.212 0.000 2.295 376 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 376 V C 2.312 178.296 176.094 -0.184 0.000 1.049 376 V CA 1.439 63.588 62.300 -0.251 0.000 1.024 376 V CB -0.372 31.182 31.823 -0.447 0.000 0.648 376 V HN 0.243 nan 8.190 nan 0.000 0.447 377 L N 0.945 122.043 121.223 -0.208 0.000 1.989 377 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 377 L C 2.454 179.281 176.870 -0.072 0.000 1.071 377 L CA 2.583 57.335 54.840 -0.146 0.000 0.749 377 L CB -1.057 40.934 42.059 -0.113 0.000 0.890 377 L HN 0.225 nan 8.230 nan 0.000 0.431 378 A N -0.546 122.246 122.820 -0.047 0.000 1.902 378 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 378 A C 2.344 179.910 177.584 -0.030 0.000 1.181 378 A CA 1.667 53.690 52.037 -0.023 0.000 0.623 378 A CB -1.657 17.340 19.000 -0.006 0.000 0.818 378 A HN 0.562 nan 8.150 nan 0.000 0.443 379 G N -0.736 108.040 108.800 -0.039 0.000 2.422 379 G HA2 0.038 3.998 3.960 -0.000 0.000 0.218 379 G HA3 0.038 3.998 3.960 -0.000 0.000 0.218 379 G C 1.685 176.567 174.900 -0.029 0.000 1.146 379 G CA 1.364 46.446 45.100 -0.030 0.000 0.769 379 G HN 0.795 nan 8.290 nan 0.000 0.547 380 A N 0.473 123.268 122.820 -0.043 0.000 1.930 380 A HA 0.181 4.501 4.320 -0.000 0.000 0.217 380 A C 2.400 179.963 177.584 -0.034 0.000 1.175 380 A CA 0.985 53.000 52.037 -0.037 0.000 0.627 380 A CB -0.316 18.650 19.000 -0.056 0.000 0.815 380 A HN 0.345 nan 8.150 nan 0.000 0.443 381 L N -0.735 120.465 121.223 -0.039 0.000 2.093 381 L HA -0.167 4.172 4.340 -0.000 0.000 0.208 381 L C 2.625 179.482 176.870 -0.022 0.000 1.085 381 L CA 1.824 56.643 54.840 -0.034 0.000 0.755 381 L CB -0.402 41.637 42.059 -0.034 0.000 0.904 381 L HN 0.467 nan 8.230 nan 0.000 0.435 382 K N 0.317 120.706 120.400 -0.018 0.000 2.001 382 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 382 K C 1.675 178.270 176.600 -0.008 0.000 1.048 382 K CA 1.880 58.160 56.287 -0.011 0.000 0.932 382 K CB 0.027 32.520 32.500 -0.011 0.000 0.715 382 K HN 0.143 nan 8.250 nan 0.000 0.437 383 D N 0.202 120.597 120.400 -0.009 0.000 2.144 383 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 383 D C 1.886 178.183 176.300 -0.006 0.000 0.984 383 D CA 1.615 55.612 54.000 -0.006 0.000 0.834 383 D CB -0.191 40.606 40.800 -0.004 0.000 0.955 383 D HN 0.334 nan 8.370 nan 0.000 0.465 384 S N -0.211 115.483 115.700 -0.010 0.000 2.555 384 S HA -0.065 4.405 4.470 -0.000 0.000 0.230 384 S C 0.958 175.553 174.600 -0.009 0.000 0.978 384 S CA 0.283 58.476 58.200 -0.011 0.000 0.934 384 S CB -0.065 63.124 63.200 -0.019 0.000 0.766 384 S HN 0.092 nan 8.310 nan 0.000 0.533 385 K N -0.458 119.939 120.400 -0.006 0.000 3.472 385 K HA -0.234 4.086 4.320 -0.000 0.000 0.315 385 K C 1.079 177.680 176.600 0.001 0.000 1.320 385 K CA 1.110 57.398 56.287 0.000 0.000 0.962 385 K CB -1.509 30.993 32.500 0.003 0.000 1.251 385 K HN 0.548 nan 8.250 nan 0.000 0.443 386 R N 1.562 122.056 120.500 -0.009 0.000 2.096 386 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 386 R C 0.979 177.280 176.300 0.002 0.000 1.127 386 R CA 2.119 58.210 56.100 -0.014 0.000 0.968 386 R CB -0.046 30.231 30.300 -0.037 0.000 0.861 386 R HN 0.348 nan 8.270 nan 0.000 0.440 387 G N -1.425 107.377 108.800 0.003 0.000 2.694 387 G HA2 0.522 4.482 3.960 -0.000 0.000 0.290 387 G HA3 0.522 4.482 3.960 -0.000 0.000 0.290 387 G C -1.584 173.323 174.900 0.012 0.000 1.386 387 G CA -0.859 44.252 45.100 0.019 0.000 0.872 387 G HN 0.091 nan 8.290 nan 0.000 0.475 388 L N 0.702 121.928 121.223 0.006 0.000 2.357 388 L HA 0.474 4.814 4.340 -0.000 0.000 0.273 388 L C -0.297 176.540 176.870 -0.056 0.000 1.080 388 L CA -0.939 53.888 54.840 -0.023 0.000 0.803 388 L CB 1.436 43.464 42.059 -0.051 0.000 1.174 388 L HN 0.205 nan 8.230 nan 0.000 0.443 389 I N 2.342 122.886 120.570 -0.043 0.000 2.377 389 I HA 0.554 4.724 4.170 -0.000 0.000 0.293 389 I C 0.185 176.271 176.117 -0.051 0.000 0.987 389 I CA -0.312 60.963 61.300 -0.042 0.000 1.185 389 I CB 1.342 39.329 38.000 -0.022 0.000 1.341 389 I HN 0.577 nan 8.210 nan 0.000 0.455 390 A N 3.768 126.552 122.820 -0.060 0.000 2.435 390 A HA 0.965 5.285 4.320 -0.000 0.000 0.304 390 A C 0.197 177.762 177.584 -0.032 0.000 1.064 390 A CA 0.216 52.218 52.037 -0.058 0.000 0.727 390 A CB 1.989 20.927 19.000 -0.104 0.000 1.284 390 A HN 1.096 nan 8.150 nan 0.000 0.415 391 G N 0.915 109.703 108.800 -0.020 0.000 2.246 391 G HA2 0.276 4.236 3.960 -0.000 0.000 0.196 391 G HA3 0.276 4.236 3.960 -0.000 0.000 0.196 391 G C -0.453 174.446 174.900 -0.001 0.000 1.180 391 G CA 0.214 45.310 45.100 -0.006 0.000 1.291 391 G HN 1.619 nan 8.290 nan 0.000 0.508 392 E N 0.027 120.231 120.200 0.007 0.000 2.369 392 E HA 0.684 5.034 4.350 -0.000 0.000 0.270 392 E C 0.105 176.711 176.600 0.010 0.000 0.909 392 E CA -1.001 55.404 56.400 0.008 0.000 0.775 392 E CB 2.138 31.845 29.700 0.012 0.000 1.270 392 E HN 0.675 nan 8.360 nan 0.000 0.445 393 R N 1.127 121.629 120.500 0.004 0.000 2.640 393 R HA 0.025 4.365 4.340 -0.000 0.000 0.270 393 R C 0.008 176.317 176.300 0.015 0.000 1.024 393 R CA 0.629 56.730 56.100 0.002 0.000 1.085 393 R CB 0.389 30.680 30.300 -0.014 0.000 0.963 393 R HN 0.793 nan 8.270 nan 0.000 0.426 394 T N 0.897 115.467 114.554 0.027 0.000 2.754 394 T HA 0.039 4.388 4.350 -0.000 0.000 0.286 394 T C 1.088 175.835 174.700 0.078 0.000 0.997 394 T CA -0.467 61.674 62.100 0.070 0.000 0.982 394 T CB 0.419 69.329 68.868 0.069 0.000 1.027 394 T HN 0.602 nan 8.240 nan 0.000 0.529 395 F N 1.356 121.317 119.950 0.017 0.000 2.102 395 F HA 0.168 4.695 4.527 -0.000 0.000 0.298 395 F C 2.022 177.841 175.800 0.031 0.000 1.105 395 F CA 1.871 59.887 58.000 0.026 0.000 1.239 395 F CB -0.686 38.331 39.000 0.028 0.000 0.991 395 F HN 1.054 nan 8.300 nan 0.000 0.474 396 G N 1.120 110.026 108.800 0.177 0.000 2.207 396 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.216 396 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.216 396 G C 0.289 175.320 174.900 0.218 0.000 1.053 396 G CA 0.124 45.284 45.100 0.100 0.000 0.764 396 G HN 0.448 nan 8.290 nan 0.000 0.495 397 K N 0.527 121.109 120.400 0.303 0.000 2.265 397 K HA 0.512 4.832 4.320 -0.000 0.000 0.242 397 K C 1.376 178.036 176.600 0.100 0.000 1.137 397 K CA 0.113 56.527 56.287 0.212 0.000 1.082 397 K CB -0.348 32.239 32.500 0.145 0.000 1.731 397 K HN 0.331 nan 8.250 nan 0.000 0.392 398 G N 3.609 112.460 108.800 0.084 0.000 3.502 398 G HA2 0.176 4.136 3.960 -0.000 0.000 0.267 398 G HA3 0.176 4.136 3.960 -0.000 0.000 0.267 398 G C 0.049 174.946 174.900 -0.004 0.000 1.090 398 G CA -0.326 44.859 45.100 0.141 0.000 0.795 398 G HN 0.363 nan 8.290 nan 0.000 0.535 399 L N 0.545 121.680 121.223 -0.146 0.000 2.399 399 L HA 0.588 4.928 4.340 -0.000 0.000 0.265 399 L C -0.229 176.423 176.870 -0.363 0.000 1.089 399 L CA -0.808 53.864 54.840 -0.279 0.000 0.802 399 L CB 1.811 43.697 42.059 -0.289 0.000 1.180 399 L HN -0.077 nan 8.230 nan 0.000 0.454 400 I N 1.283 121.603 120.570 -0.417 0.000 2.465 400 I HA 0.309 4.479 4.170 -0.000 0.000 0.291 400 I C -0.687 175.280 176.117 -0.250 0.000 1.014 400 I CA -0.549 60.510 61.300 -0.401 0.000 1.093 400 I CB 2.050 39.703 38.000 -0.578 0.000 1.267 400 I HN 0.549 nan 8.210 nan 0.000 0.431 401 Q N 3.301 123.003 119.800 -0.163 0.000 2.297 401 Q HA 0.671 5.011 4.340 -0.000 0.000 0.268 401 Q C -0.924 175.047 176.000 -0.048 0.000 1.045 401 Q CA -0.536 55.227 55.803 -0.068 0.000 0.861 401 Q CB 2.453 31.202 28.738 0.019 0.000 1.344 401 Q HN 0.533 nan 8.270 nan 0.000 0.452 402 T N -0.088 114.455 114.554 -0.019 0.000 2.907 402 T HA 0.591 4.941 4.350 -0.000 0.000 0.292 402 T C -1.004 173.702 174.700 0.010 0.000 1.043 402 T CA -0.640 61.452 62.100 -0.013 0.000 1.003 402 T CB 1.347 70.200 68.868 -0.026 0.000 1.084 402 T HN 0.266 nan 8.240 nan 0.000 0.483 403 V N 2.845 122.762 119.914 0.004 0.000 2.350 403 V HA 0.362 4.482 4.120 -0.000 0.000 0.276 403 V C -0.161 175.926 176.094 -0.011 0.000 1.028 403 V CA -0.619 61.676 62.300 -0.009 0.000 0.860 403 V CB 1.429 33.237 31.823 -0.024 0.000 0.990 403 V HN 0.703 nan 8.190 nan 0.000 0.453 404 V N 4.877 124.787 119.914 -0.006 0.000 2.364 404 V HA 0.312 4.432 4.120 -0.000 0.000 0.272 404 V C -0.032 176.062 176.094 0.000 0.000 1.036 404 V CA -0.744 61.558 62.300 0.004 0.000 0.880 404 V CB 1.403 33.237 31.823 0.018 0.000 0.991 404 V HN 0.789 nan 8.190 nan 0.000 0.460 405 D N 4.711 125.112 120.400 0.001 0.000 2.345 405 D HA 0.414 5.054 4.640 -0.000 0.000 0.247 405 D C 0.004 176.322 176.300 0.029 0.000 1.108 405 D CA 0.088 54.088 54.000 0.000 0.000 0.894 405 D CB 1.374 42.174 40.800 -0.000 0.000 1.203 405 D HN 0.297 nan 8.370 nan 0.000 0.430 406 L N 0.725 121.976 121.223 0.046 0.000 2.358 406 L HA 0.207 4.547 4.340 -0.000 0.000 0.268 406 L C 1.812 178.731 176.870 0.082 0.000 1.032 406 L CA -0.722 54.172 54.840 0.088 0.000 0.805 406 L CB 1.308 43.462 42.059 0.158 0.000 1.253 406 L HN 0.386 nan 8.230 nan 0.000 0.452 407 S N -0.671 115.083 115.700 0.089 0.000 2.419 407 S HA -0.181 4.289 4.470 -0.000 0.000 0.235 407 S C 0.903 175.552 174.600 0.082 0.000 1.019 407 S CA 1.248 59.494 58.200 0.076 0.000 0.982 407 S CB -0.479 62.764 63.200 0.072 0.000 0.789 407 S HN 0.843 nan 8.310 nan 0.000 0.490 408 D N 0.104 120.573 120.400 0.115 0.000 2.358 408 D HA 0.320 4.959 4.640 -0.000 0.000 0.224 408 D C 1.280 177.642 176.300 0.104 0.000 1.123 408 D CA 0.340 54.413 54.000 0.120 0.000 0.833 408 D CB -0.468 40.435 40.800 0.172 0.000 0.946 408 D HN 0.533 nan 8.370 nan 0.000 0.505 409 G N 0.131 108.971 108.800 0.067 0.000 2.176 409 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.253 409 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.253 409 G C 0.516 175.407 174.900 -0.015 0.000 0.979 409 G CA 0.441 45.557 45.100 0.028 0.000 0.641 409 G HN 0.767 nan 8.290 nan 0.000 0.530 410 S N -0.519 115.184 115.700 0.005 0.000 2.686 410 S HA 0.845 5.315 4.470 -0.000 0.000 0.270 410 S C 0.432 174.925 174.600 -0.179 0.000 1.194 410 S CA 0.299 58.402 58.200 -0.162 0.000 0.990 410 S CB 2.234 65.341 63.200 -0.155 0.000 1.029 410 S HN 1.891 nan 8.310 nan 0.000 0.560 411 G N -1.220 107.340 108.800 -0.401 0.000 2.698 411 G HA2 0.549 4.509 3.960 -0.000 0.000 0.293 411 G HA3 0.549 4.509 3.960 -0.000 0.000 0.293 411 G C -1.841 172.912 174.900 -0.245 0.000 1.437 411 G CA -0.707 44.257 45.100 -0.227 0.000 0.852 411 G HN 0.825 nan 8.290 nan 0.000 0.499 412 V N 0.668 120.551 119.914 -0.052 0.000 2.409 412 V HA 0.685 4.805 4.120 -0.000 0.000 0.291 412 V C 0.520 176.611 176.094 -0.005 0.000 1.020 412 V CA -0.677 61.637 62.300 0.023 0.000 0.848 412 V CB 1.325 33.212 31.823 0.107 0.000 0.990 412 V HN 1.193 nan 8.190 nan 0.000 0.430 413 A N 5.412 128.231 122.820 -0.002 0.000 2.269 413 A HA 0.734 5.054 4.320 -0.000 0.000 0.302 413 A C -0.461 177.194 177.584 0.119 0.000 1.266 413 A CA -0.304 51.771 52.037 0.063 0.000 0.894 413 A CB 0.446 19.531 19.000 0.143 0.000 1.147 413 A HN 0.701 nan 8.150 nan 0.000 0.537 414 V N 2.565 122.538 119.914 0.098 0.000 2.604 414 V HA 0.357 4.477 4.120 -0.000 0.000 0.305 414 V C 0.430 176.585 176.094 0.102 0.000 1.043 414 V CA -0.583 61.795 62.300 0.130 0.000 0.888 414 V CB 1.901 33.785 31.823 0.102 0.000 0.995 414 V HN 0.851 nan 8.190 nan 0.000 0.429 415 T N 3.753 118.393 114.554 0.145 0.000 2.769 415 T HA 0.218 4.568 4.350 -0.000 0.000 0.293 415 T C 0.994 175.596 174.700 -0.164 0.000 0.931 415 T CA 0.134 62.224 62.100 -0.018 0.000 1.139 415 T CB 0.975 69.841 68.868 -0.002 0.000 0.881 415 T HN 0.781 nan 8.240 nan 0.000 0.532 416 V N 0.646 120.444 119.914 -0.193 0.000 3.570 416 V HA 0.787 4.907 4.120 -0.000 0.000 0.257 416 V C 0.545 176.472 176.094 -0.277 0.000 1.272 416 V CA 0.449 62.618 62.300 -0.219 0.000 1.079 416 V CB -0.545 31.190 31.823 -0.147 0.000 0.829 416 V HN 0.942 nan 8.190 nan 0.000 0.454 417 A N 0.989 123.627 122.820 -0.304 0.000 2.511 417 A HA 0.868 5.188 4.320 -0.000 0.000 0.293 417 A C -0.934 176.434 177.584 -0.360 0.000 1.098 417 A CA -0.679 51.169 52.037 -0.316 0.000 0.643 417 A CB 1.223 20.040 19.000 -0.306 0.000 1.302 417 A HN 0.669 nan 8.150 nan 0.000 0.446 418 R N -0.219 120.081 120.500 -0.333 0.000 2.740 418 R HA 0.648 4.988 4.340 -0.000 0.000 0.273 418 R C -1.819 174.309 176.300 -0.286 0.000 0.998 418 R CA -0.628 55.273 56.100 -0.331 0.000 0.900 418 R CB 0.982 31.164 30.300 -0.197 0.000 1.223 418 R HN 0.658 nan 8.270 nan 0.000 0.466 419 Y N 1.213 121.440 120.300 -0.121 0.000 2.309 419 Y HA 0.208 4.758 4.550 -0.000 0.000 0.327 419 Y C 0.473 176.341 175.900 -0.053 0.000 1.172 419 Y CA -0.066 57.980 58.100 -0.091 0.000 1.280 419 Y CB 1.374 39.782 38.460 -0.087 0.000 1.234 419 Y HN 0.339 nan 8.280 nan 0.000 0.512 420 Q N 1.088 120.979 119.800 0.153 0.000 2.423 420 Q HA 0.320 4.660 4.340 -0.000 0.000 0.278 420 Q C -0.564 175.479 176.000 0.072 0.000 1.097 420 Q CA -1.135 54.715 55.803 0.079 0.000 0.809 420 Q CB 2.365 31.126 28.738 0.038 0.000 1.391 420 Q HN 0.773 nan 8.270 nan 0.000 0.428 421 T N -2.173 112.406 114.554 0.041 0.000 2.766 421 T HA 0.150 4.500 4.350 -0.000 0.000 0.295 421 T C -1.832 172.886 174.700 0.030 0.000 1.024 421 T CA -1.304 60.813 62.100 0.028 0.000 1.018 421 T CB 0.277 69.152 68.868 0.012 0.000 1.002 421 T HN 0.265 nan 8.240 nan 0.000 0.532 422 P HA -0.081 nan 4.420 nan 0.000 0.216 422 P C 1.344 178.652 177.300 0.014 0.000 1.150 422 P CA 1.553 64.666 63.100 0.022 0.000 0.843 422 P CB -0.421 31.288 31.700 0.015 0.000 0.787 423 A N -1.013 121.813 122.820 0.010 0.000 2.239 423 A HA 0.331 4.650 4.320 -0.000 0.000 0.209 423 A C 1.655 179.242 177.584 0.005 0.000 1.171 423 A CA 0.888 52.928 52.037 0.006 0.000 0.768 423 A CB -1.511 17.491 19.000 0.003 0.000 0.790 423 A HN 0.276 nan 8.150 nan 0.000 0.478 424 G N -1.683 107.123 108.800 0.010 0.000 2.143 424 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.248 424 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.248 424 G C 0.092 174.994 174.900 0.003 0.000 0.991 424 G CA 0.233 45.336 45.100 0.006 0.000 0.689 424 G HN 0.799 nan 8.290 nan 0.000 0.522 425 V N 0.430 120.349 119.914 0.007 0.000 2.481 425 V HA 0.409 4.529 4.120 -0.000 0.000 0.286 425 V C 0.572 176.672 176.094 0.011 0.000 1.042 425 V CA -0.692 61.611 62.300 0.005 0.000 0.928 425 V CB 1.595 33.420 31.823 0.004 0.000 0.986 425 V HN 0.314 nan 8.190 nan 0.000 0.462 426 D N 2.743 123.147 120.400 0.006 0.000 2.414 426 D HA 0.129 4.769 4.640 -0.000 0.000 0.242 426 D C 1.001 177.316 176.300 0.024 0.000 1.129 426 D CA -0.197 53.810 54.000 0.013 0.000 0.885 426 D CB 0.823 41.623 40.800 -0.000 0.000 1.198 426 D HN 0.253 nan 8.370 nan 0.000 0.437 427 I N 1.092 121.691 120.570 0.047 0.000 2.500 427 I HA -0.098 4.072 4.170 -0.000 0.000 0.252 427 I C 1.060 177.207 176.117 0.050 0.000 1.142 427 I CA 0.644 61.975 61.300 0.051 0.000 1.451 427 I CB -0.892 37.155 38.000 0.078 0.000 1.093 427 I HN 0.493 nan 8.210 nan 0.000 0.430 428 N N 2.401 121.130 118.700 0.048 0.000 2.412 428 N HA -0.126 4.614 4.740 -0.000 0.000 0.258 428 N C 0.575 176.105 175.510 0.033 0.000 1.236 428 N CA 0.457 53.535 53.050 0.047 0.000 0.882 428 N CB 0.588 39.089 38.487 0.022 0.000 1.066 428 N HN 0.058 nan 8.380 nan 0.000 0.465 429 K N 2.126 122.550 120.400 0.039 0.000 8.070 429 K HA -0.276 4.044 4.320 -0.000 0.000 0.487 429 K C 1.418 178.003 176.600 -0.024 0.000 0.363 429 K CA 1.877 58.166 56.287 0.002 0.000 1.957 429 K CB -1.629 30.875 32.500 0.007 0.000 0.676 429 K HN 0.634 nan 8.250 nan 0.000 0.908 430 I N 1.360 121.925 120.570 -0.009 0.000 2.315 430 I HA -0.100 4.069 4.170 -0.000 0.000 0.248 430 I C 1.546 177.654 176.117 -0.015 0.000 1.117 430 I CA 1.300 62.592 61.300 -0.014 0.000 1.404 430 I CB -0.368 37.629 38.000 -0.005 0.000 1.071 430 I HN 0.601 nan 8.210 nan 0.000 0.419 431 G N 0.416 109.217 108.800 0.002 0.000 2.645 431 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.239 431 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.239 431 G C -0.467 174.438 174.900 0.007 0.000 1.331 431 G CA -0.401 44.707 45.100 0.012 0.000 0.890 431 G HN 0.104 nan 8.290 nan 0.000 0.572 432 V N 0.530 120.449 119.914 0.008 0.000 2.487 432 V HA 0.649 4.768 4.120 -0.000 0.000 0.298 432 V C 0.368 176.463 176.094 0.001 0.000 1.028 432 V CA -0.141 62.161 62.300 0.002 0.000 0.860 432 V CB 1.731 33.555 31.823 0.001 0.000 0.991 432 V HN 0.997 nan 8.190 nan 0.000 0.427 433 S N 6.405 122.103 115.700 -0.003 0.000 2.578 433 S HA 0.585 5.055 4.470 -0.000 0.000 0.283 433 S C -2.538 172.058 174.600 -0.006 0.000 1.195 433 S CA -1.037 57.160 58.200 -0.005 0.000 1.050 433 S CB 1.675 64.871 63.200 -0.006 0.000 1.012 433 S HN 0.616 nan 8.310 nan 0.000 0.511 434 P HA 0.255 nan 4.420 nan 0.000 0.278 434 P C -0.052 177.242 177.300 -0.010 0.000 1.238 434 P CA -0.321 62.772 63.100 -0.011 0.000 0.794 434 P CB 0.675 32.368 31.700 -0.012 0.000 0.955 435 D N 0.441 120.832 120.400 -0.014 0.000 2.213 435 D HA 0.006 4.646 4.640 -0.000 0.000 0.205 435 D C 0.206 176.500 176.300 -0.010 0.000 0.961 435 D CA 1.300 55.295 54.000 -0.009 0.000 0.853 435 D CB 0.421 41.216 40.800 -0.008 0.000 0.967 435 D HN 0.105 nan 8.370 nan 0.000 0.496 436 V N 2.807 122.708 119.914 -0.021 0.000 2.313 436 V HA 0.133 4.252 4.120 -0.000 0.000 0.278 436 V C 0.142 176.225 176.094 -0.019 0.000 1.017 436 V CA -0.689 61.599 62.300 -0.021 0.000 0.823 436 V CB 1.723 33.521 31.823 -0.041 0.000 1.010 436 V HN -0.040 nan 8.190 nan 0.000 0.443 437 Q N 4.712 124.506 119.800 -0.010 0.000 2.297 437 Q HA 0.550 4.890 4.340 -0.000 0.000 0.267 437 Q C -0.935 175.061 176.000 -0.006 0.000 1.006 437 Q CA 0.246 56.045 55.803 -0.007 0.000 0.896 437 Q CB 1.540 30.276 28.738 -0.003 0.000 1.186 437 Q HN 0.626 nan 8.270 nan 0.000 0.392 438 L N 1.571 122.790 121.223 -0.006 0.000 2.424 438 L HA 0.275 4.615 4.340 -0.000 0.000 0.258 438 L C -0.320 176.550 176.870 -0.000 0.000 0.995 438 L CA -1.120 53.717 54.840 -0.005 0.000 0.821 438 L CB 2.126 44.179 42.059 -0.011 0.000 1.383 438 L HN 0.493 nan 8.230 nan 0.000 0.410 439 D N 3.657 124.058 120.400 0.002 0.000 2.412 439 D HA 0.040 4.680 4.640 -0.000 0.000 0.257 439 D C -1.547 174.757 176.300 0.006 0.000 1.217 439 D CA -1.319 52.683 54.000 0.004 0.000 0.897 439 D CB 1.231 42.033 40.800 0.004 0.000 1.132 439 D HN 0.210 nan 8.370 nan 0.000 0.493 440 P HA -0.079 nan 4.420 nan 0.000 0.234 440 P C 0.325 177.633 177.300 0.014 0.000 1.167 440 P CA 0.863 63.971 63.100 0.014 0.000 0.763 440 P CB 0.343 32.055 31.700 0.019 0.000 0.835 441 E N -1.088 119.118 120.200 0.010 0.000 2.498 441 E HA 0.051 4.401 4.350 -0.000 0.000 0.203 441 E C 1.724 178.324 176.600 0.001 0.000 1.013 441 E CA -0.153 56.251 56.400 0.007 0.000 0.927 441 E CB 0.101 29.806 29.700 0.008 0.000 1.012 441 E HN -0.030 nan 8.360 nan 0.000 0.482 442 V N 1.223 121.137 119.914 -0.000 0.000 2.287 442 V HA -0.174 3.945 4.120 -0.000 0.000 0.248 442 V C 1.015 177.102 176.094 -0.013 0.000 1.053 442 V CA 1.196 63.493 62.300 -0.005 0.000 1.027 442 V CB -0.119 31.702 31.823 -0.004 0.000 0.646 442 V HN 0.197 nan 8.190 nan 0.000 0.447 443 L N 1.042 122.258 121.223 -0.011 0.000 2.312 443 L HA 0.445 4.785 4.340 -0.000 0.000 0.281 443 L C -2.058 174.795 176.870 -0.028 0.000 1.070 443 L CA -1.633 53.190 54.840 -0.028 0.000 0.805 443 L CB 1.033 43.080 42.059 -0.021 0.000 1.174 443 L HN 0.018 nan 8.230 nan 0.000 0.434 444 P HA 0.350 nan 4.420 nan 0.000 0.289 444 P C -0.179 177.095 177.300 -0.043 0.000 1.299 444 P CA -0.270 62.802 63.100 -0.046 0.000 0.766 444 P CB 0.478 32.139 31.700 -0.066 0.000 1.226 445 T N -5.418 109.131 114.554 -0.008 0.000 3.003 445 T HA 0.090 4.440 4.350 -0.000 0.000 0.261 445 T C 0.299 175.029 174.700 0.050 0.000 1.003 445 T CA -0.290 61.850 62.100 0.067 0.000 0.917 445 T CB -0.427 68.490 68.868 0.082 0.000 1.084 445 T HN 0.436 nan 8.240 nan 0.000 0.522 446 D N 2.110 122.498 120.400 -0.019 0.000 2.304 446 D HA 0.175 4.815 4.640 -0.000 0.000 0.250 446 D C 1.309 177.564 176.300 -0.075 0.000 1.107 446 D CA -0.601 53.384 54.000 -0.024 0.000 0.885 446 D CB 1.813 42.594 40.800 -0.031 0.000 1.192 446 D HN 0.096 nan 8.370 nan 0.000 0.436 447 L N 0.841 122.040 121.223 -0.040 0.000 2.013 447 L HA -0.246 4.093 4.340 -0.000 0.000 0.212 447 L C 2.621 179.426 176.870 -0.108 0.000 1.073 447 L CA 1.719 56.515 54.840 -0.072 0.000 0.753 447 L CB -0.624 41.416 42.059 -0.031 0.000 0.890 447 L HN 0.640 nan 8.230 nan 0.000 0.432 448 E N 0.365 120.518 120.200 -0.080 0.000 2.051 448 E HA -0.195 4.154 4.350 -0.000 0.000 0.192 448 E C 2.181 178.730 176.600 -0.085 0.000 0.991 448 E CA 1.303 57.660 56.400 -0.073 0.000 0.799 448 E CB -0.195 29.473 29.700 -0.054 0.000 0.748 448 E HN 0.461 nan 8.360 nan 0.000 0.449 449 G N 0.547 109.294 108.800 -0.089 0.000 2.422 449 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 449 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 449 G C 1.661 176.483 174.900 -0.130 0.000 1.146 449 G CA 0.871 45.917 45.100 -0.090 0.000 0.769 449 G HN 0.236 nan 8.290 nan 0.000 0.547 450 V N 0.578 120.366 119.914 -0.209 0.000 2.295 450 V HA -0.231 3.888 4.120 -0.000 0.000 0.246 450 V C 3.062 179.037 176.094 -0.198 0.000 1.049 450 V CA 1.889 64.007 62.300 -0.303 0.000 1.024 450 V CB -0.693 30.717 31.823 -0.688 0.000 0.648 450 V HN 0.508 nan 8.190 nan 0.000 0.447 451 C N -0.467 118.738 119.300 -0.158 0.000 2.425 451 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 451 C C 2.891 177.843 174.990 -0.064 0.000 1.280 451 C CA 1.330 60.294 59.018 -0.089 0.000 1.744 451 C CB -1.218 26.483 27.740 -0.065 0.000 1.989 451 C HN 0.565 nan 8.230 nan 0.000 0.491 452 R N 0.923 121.383 120.500 -0.067 0.000 2.070 452 R HA -0.135 4.205 4.340 -0.000 0.000 0.233 452 R C 2.003 178.277 176.300 -0.043 0.000 1.137 452 R CA 2.025 58.096 56.100 -0.048 0.000 0.945 452 R CB -0.398 29.874 30.300 -0.047 0.000 0.845 452 R HN 0.375 nan 8.270 nan 0.000 0.430 453 V N 1.480 121.360 119.914 -0.055 0.000 2.407 453 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 453 V C 2.325 178.401 176.094 -0.030 0.000 1.055 453 V CA 1.518 63.793 62.300 -0.042 0.000 1.049 453 V CB -0.335 31.458 31.823 -0.049 0.000 0.662 453 V HN 0.349 nan 8.190 nan 0.000 0.455 454 L N 0.372 121.572 121.223 -0.037 0.000 2.291 454 L HA 0.006 4.346 4.340 -0.000 0.000 0.214 454 L C 2.374 179.245 176.870 0.002 0.000 1.120 454 L CA 1.331 56.164 54.840 -0.010 0.000 0.799 454 L CB -0.704 41.351 42.059 -0.006 0.000 0.925 454 L HN 0.463 nan 8.230 nan 0.000 0.446 455 G N -0.806 107.989 108.800 -0.009 0.000 2.880 455 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.209 455 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.209 455 G C 0.894 175.793 174.900 -0.002 0.000 1.157 455 G CA 0.464 45.562 45.100 -0.003 0.000 0.779 455 G HN 0.406 nan 8.290 nan 0.000 0.539 456 S N -0.611 115.086 115.700 -0.005 0.000 2.626 456 S HA 0.120 4.590 4.470 -0.000 0.000 0.257 456 S C 0.893 175.493 174.600 0.001 0.000 1.288 456 S CA 0.064 58.261 58.200 -0.005 0.000 0.980 456 S CB 1.323 64.518 63.200 -0.009 0.000 0.975 456 S HN 0.033 nan 8.310 nan 0.000 0.577 457 D N -0.265 120.135 120.400 0.000 0.000 2.349 457 D HA 0.150 4.790 4.640 -0.000 0.000 0.215 457 D C 0.931 177.234 176.300 0.004 0.000 1.016 457 D CA 0.588 54.589 54.000 0.003 0.000 0.870 457 D CB 0.006 40.807 40.800 0.002 0.000 0.917 457 D HN 0.656 nan 8.370 nan 0.000 0.524 458 A N 0.241 123.062 122.820 0.002 0.000 2.713 458 A HA 0.603 4.922 4.320 -0.000 0.000 0.296 458 A C 0.625 178.210 177.584 0.003 0.000 1.255 458 A CA -0.231 51.807 52.037 0.002 0.000 0.955 458 A CB -0.054 18.945 19.000 -0.002 0.000 1.149 458 A HN 0.149 nan 8.150 nan 0.000 0.538 459 A N 1.810 124.634 122.820 0.008 0.000 2.477 459 A HA 0.559 4.879 4.320 -0.000 0.000 0.246 459 A C -2.154 175.441 177.584 0.018 0.000 1.078 459 A CA -0.954 51.091 52.037 0.013 0.000 0.770 459 A CB -0.245 18.768 19.000 0.023 0.000 1.011 459 A HN 0.365 nan 8.150 nan 0.000 0.494 460 P HA 0.170 nan 4.420 nan 0.000 0.275 460 P C -0.607 176.711 177.300 0.029 0.000 1.228 460 P CA -0.244 62.864 63.100 0.014 0.000 0.786 460 P CB 0.507 32.209 31.700 0.002 0.000 0.927 461 R N 2.444 122.962 120.500 0.029 0.000 3.268 461 R HA 0.161 4.501 4.340 -0.000 0.000 0.217 461 R C 1.491 177.813 176.300 0.037 0.000 1.568 461 R CA -0.237 55.894 56.100 0.053 0.000 1.322 461 R CB -0.708 29.622 30.300 0.049 0.000 1.280 461 R HN 0.529 nan 8.270 nan 0.000 0.667 462 L N 0.869 122.106 121.223 0.023 0.000 2.021 462 L HA -0.211 4.129 4.340 -0.000 0.000 0.215 462 L C 0.810 177.525 176.870 -0.259 0.000 1.074 462 L CA 1.669 56.426 54.840 -0.137 0.000 0.760 462 L CB -0.337 41.591 42.059 -0.218 0.000 0.889 462 L HN 0.297 nan 8.230 nan 0.000 0.433 463 F N 0.000 119.964 119.950 0.023 0.000 2.286 463 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 463 F CA 0.000 58.012 58.000 0.019 0.000 1.383 463 F CB 0.000 39.011 39.000 0.018 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574