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 1fc7_1_A DATA FIRST_RESID 78 DATA SEQUENCE VTSEQLLFLE AWRAVDRAYV DKSFNGQSWF KLRETYLKKE PMDRRAQTYD DATA SEQUENCE AIRKLLAVLD DPFTRFLEPS RLAALRRGTA GSVTGVGLEI TYDGGSGKDV DATA SEQUENCE VVLTPAPGGP AEKAGARAGD VIVTVDGTAV KGLSLYDVSD LLQGEADSQV DATA SEQUENCE EVVLHAPGAP SNTRTLQLTR QKVTINPVTF TTcSNVAAAA LPPGAAKQQL DATA SEQUENCE GYVRLATFNS NTTAAAQQAF TELSKQGVAG LVLDIRNNGG GLFPAGVNVA DATA SEQUENCE RMLVDRGDLV 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 -0.016 0.000 1.182 78 V CA 0.000 62.286 62.300 -0.023 0.000 1.235 78 V CB 0.000 31.813 31.823 -0.017 0.000 1.184 79 T N 3.041 117.581 114.554 -0.022 0.000 2.770 79 T HA 0.388 4.738 4.350 -0.000 0.000 0.281 79 T C 1.250 175.950 174.700 -0.000 0.000 0.981 79 T CA 0.407 62.497 62.100 -0.016 0.000 0.955 79 T CB 1.434 70.285 68.868 -0.029 0.000 1.060 79 T HN 0.748 nan 8.240 nan 0.000 0.531 80 S N 0.316 116.018 115.700 0.003 0.000 2.383 80 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 80 S C 2.072 176.688 174.600 0.026 0.000 1.026 80 S CA 0.791 59.001 58.200 0.017 0.000 0.981 80 S CB -0.402 62.806 63.200 0.013 0.000 0.818 80 S HN 0.708 nan 8.310 nan 0.000 0.472 81 E N 1.512 121.716 120.200 0.007 0.000 2.072 81 E HA -0.132 4.217 4.350 -0.000 0.000 0.191 81 E C 2.169 178.797 176.600 0.046 0.000 0.985 81 E CA 0.886 57.292 56.400 0.010 0.000 0.801 81 E CB -0.333 29.347 29.700 -0.034 0.000 0.750 81 E HN 0.613 nan 8.360 nan 0.000 0.452 82 Q N 0.316 120.129 119.800 0.021 0.000 2.079 82 Q HA -0.053 4.287 4.340 -0.000 0.000 0.200 82 Q C 2.508 178.577 176.000 0.115 0.000 0.974 82 Q CA 0.752 56.580 55.803 0.041 0.000 0.840 82 Q CB -0.084 28.642 28.738 -0.020 0.000 0.898 82 Q HN 0.258 nan 8.270 nan 0.000 0.430 83 L N 0.291 121.559 121.223 0.075 0.000 2.042 83 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 83 L C 2.397 179.331 176.870 0.108 0.000 1.076 83 L CA 0.675 55.563 54.840 0.079 0.000 0.749 83 L CB -0.367 41.726 42.059 0.057 0.000 0.893 83 L HN 0.293 nan 8.230 nan 0.000 0.432 84 L N -0.573 120.723 121.223 0.122 0.000 2.056 84 L HA -0.233 4.107 4.340 -0.000 0.000 0.207 84 L C 2.324 179.293 176.870 0.165 0.000 1.078 84 L CA 1.604 56.530 54.840 0.143 0.000 0.749 84 L CB -0.654 41.497 42.059 0.153 0.000 0.901 84 L HN 0.142 nan 8.230 nan 0.000 0.433 85 F N -0.393 119.575 119.950 0.031 0.000 2.161 85 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 85 F C 1.963 177.791 175.800 0.048 0.000 1.089 85 F CA 1.698 59.707 58.000 0.014 0.000 1.282 85 F CB -0.243 38.739 39.000 -0.029 0.000 1.010 85 F HN 0.054 nan 8.300 nan 0.000 0.485 86 L N -0.004 121.250 121.223 0.051 0.000 2.201 86 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 86 L C 2.285 179.202 176.870 0.078 0.000 1.105 86 L CA 1.262 56.104 54.840 0.004 0.000 0.775 86 L CB -0.672 41.415 42.059 0.047 0.000 0.913 86 L HN 0.204 nan 8.230 nan 0.000 0.440 87 E N 0.276 120.518 120.200 0.070 0.000 2.072 87 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 87 E C 2.335 178.972 176.600 0.061 0.000 0.985 87 E CA 1.141 57.593 56.400 0.087 0.000 0.801 87 E CB -0.134 29.621 29.700 0.092 0.000 0.750 87 E HN 0.496 nan 8.360 nan 0.000 0.452 88 A N 0.914 123.739 122.820 0.009 0.000 1.877 88 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 88 A C 1.897 179.454 177.584 -0.044 0.000 1.186 88 A CA 1.332 53.361 52.037 -0.014 0.000 0.620 88 A CB -1.034 17.934 19.000 -0.053 0.000 0.822 88 A HN 0.544 nan 8.150 nan 0.000 0.443 89 W N 0.482 121.562 121.300 -0.367 0.000 2.358 89 W HA -0.188 4.472 4.660 -0.000 0.000 0.303 89 W C 2.377 178.913 176.519 0.027 0.000 1.208 89 W CA 2.040 59.206 57.345 -0.297 0.000 1.274 89 W CB -0.132 28.930 29.460 -0.663 0.000 1.138 89 W HN 0.277 nan 8.180 nan 0.000 0.515 90 R N 0.365 120.936 120.500 0.119 0.000 2.081 90 R HA -0.132 4.207 4.340 -0.000 0.000 0.235 90 R C 2.427 178.675 176.300 -0.087 0.000 1.131 90 R CA 1.853 57.949 56.100 -0.006 0.000 0.960 90 R CB -0.763 29.676 30.300 0.232 0.000 0.856 90 R HN 0.213 nan 8.270 nan 0.000 0.436 91 A N -0.047 122.758 122.820 -0.025 0.000 1.917 91 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 91 A C 2.218 179.773 177.584 -0.048 0.000 1.182 91 A CA 1.919 53.947 52.037 -0.015 0.000 0.633 91 A CB -0.611 18.399 19.000 0.018 0.000 0.819 91 A HN 0.229 nan 8.150 nan 0.000 0.448 92 V N 0.072 119.931 119.914 -0.092 0.000 2.323 92 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 92 V C 2.290 178.274 176.094 -0.183 0.000 1.041 92 V CA 2.254 64.466 62.300 -0.146 0.000 1.025 92 V CB -0.869 30.814 31.823 -0.234 0.000 0.656 92 V HN 0.690 nan 8.190 nan 0.000 0.451 93 D N -0.129 120.046 120.400 -0.375 0.000 2.158 93 D HA -0.202 4.438 4.640 -0.000 0.000 0.197 93 D C 2.370 178.653 176.300 -0.027 0.000 0.995 93 D CA 1.559 55.349 54.000 -0.351 0.000 0.846 93 D CB -0.001 40.325 40.800 -0.790 0.000 0.941 93 D HN 0.321 nan 8.370 nan 0.000 0.456 94 R N -0.732 119.730 120.500 -0.062 0.000 2.062 94 R HA 0.200 4.540 4.340 -0.000 0.000 0.226 94 R C 1.892 178.186 176.300 -0.010 0.000 1.125 94 R CA 1.218 57.314 56.100 -0.007 0.000 0.966 94 R CB 0.004 30.301 30.300 -0.005 0.000 0.861 94 R HN 0.133 nan 8.270 nan 0.000 0.433 95 A N -0.612 122.198 122.820 -0.016 0.000 2.343 95 A HA 0.078 4.398 4.320 -0.000 0.000 0.223 95 A C -0.047 177.512 177.584 -0.041 0.000 1.214 95 A CA -0.435 51.583 52.037 -0.032 0.000 0.900 95 A CB 0.036 19.022 19.000 -0.023 0.000 0.942 95 A HN 0.246 nan 8.150 nan 0.000 0.507 96 Y N -0.133 120.049 120.300 -0.196 0.000 2.702 96 Y HA 0.088 4.638 4.550 -0.000 0.000 0.336 96 Y C 1.610 177.325 175.900 -0.308 0.000 1.235 96 Y CA 0.750 58.688 58.100 -0.271 0.000 1.492 96 Y CB 0.914 39.146 38.460 -0.380 0.000 1.308 96 Y HN -0.019 nan 8.280 nan 0.000 0.589 97 V N 3.363 122.719 119.914 -0.929 0.000 2.490 97 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 97 V C 0.182 175.870 176.094 -0.678 0.000 1.061 97 V CA 2.488 64.348 62.300 -0.734 0.000 1.064 97 V CB -0.462 30.953 31.823 -0.681 0.000 0.670 97 V HN 0.846 nan 8.190 nan 0.000 0.461 98 D N -0.508 119.348 120.400 -0.907 0.000 2.446 98 D HA 0.220 4.860 4.640 -0.000 0.000 0.251 98 D C 0.653 176.580 176.300 -0.622 0.000 1.137 98 D CA -0.530 53.148 54.000 -0.537 0.000 0.890 98 D CB 0.867 41.445 40.800 -0.370 0.000 1.071 98 D HN -0.051 nan 8.370 nan 0.000 0.528 99 K N 1.260 121.323 120.400 -0.562 0.000 2.643 99 K HA -0.015 4.305 4.320 -0.000 0.000 0.193 99 K C 1.179 177.485 176.600 -0.490 0.000 1.027 99 K CA 0.298 56.181 56.287 -0.674 0.000 1.033 99 K CB -0.468 31.851 32.500 -0.302 0.000 0.827 99 K HN 0.426 nan 8.250 nan 0.000 0.500 100 S N -0.968 114.511 115.700 -0.369 0.000 2.539 100 S HA 0.075 4.544 4.470 -0.000 0.000 0.221 100 S C 0.430 175.081 174.600 0.085 0.000 0.987 100 S CA -0.577 57.599 58.200 -0.039 0.000 0.929 100 S CB -0.521 62.677 63.200 -0.002 0.000 0.832 100 S HN 0.240 nan 8.310 nan 0.000 0.492 101 F N 2.701 122.656 119.950 0.009 0.000 3.004 101 F HA -0.241 4.285 4.527 -0.000 0.000 0.264 101 F C 0.862 176.673 175.800 0.018 0.000 0.979 101 F CA 0.795 58.751 58.000 -0.074 0.000 0.896 101 F CB -2.727 36.167 39.000 -0.176 0.000 0.813 101 F HN 0.618 nan 8.300 nan 0.000 0.804 102 N N -0.760 118.017 118.700 0.127 0.000 2.741 102 N HA -0.224 4.516 4.740 -0.000 0.000 0.251 102 N C 1.058 176.646 175.510 0.131 0.000 1.112 102 N CA 0.704 53.826 53.050 0.120 0.000 0.750 102 N CB -1.073 37.488 38.487 0.123 0.000 1.119 102 N HN 1.472 nan 8.380 nan 0.000 0.561 103 G N -1.104 107.784 108.800 0.146 0.000 2.143 103 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.249 103 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.249 103 G C -0.281 174.725 174.900 0.176 0.000 0.981 103 G CA 0.623 45.808 45.100 0.141 0.000 0.665 103 G HN 0.491 nan 8.290 nan 0.000 0.528 104 Q N 0.295 120.241 119.800 0.244 0.000 2.222 104 Q HA 0.555 4.895 4.340 -0.000 0.000 0.252 104 Q C -0.094 176.089 176.000 0.306 0.000 0.926 104 Q CA -0.274 55.688 55.803 0.265 0.000 0.899 104 Q CB 1.642 30.583 28.738 0.339 0.000 1.250 104 Q HN 0.213 nan 8.270 nan 0.000 0.441 105 S N 2.519 118.361 115.700 0.236 0.000 2.411 105 S HA 0.050 4.520 4.470 -0.000 0.000 0.304 105 S C 0.755 175.497 174.600 0.238 0.000 1.098 105 S CA -0.634 57.709 58.200 0.238 0.000 1.068 105 S CB 0.158 63.467 63.200 0.181 0.000 1.032 105 S HN 0.611 nan 8.310 nan 0.000 0.511 106 W N 3.506 124.786 121.300 -0.033 0.000 2.317 106 W HA -0.281 4.379 4.660 -0.000 0.000 0.318 106 W C 1.591 178.250 176.519 0.234 0.000 1.227 106 W CA 1.228 58.461 57.345 -0.187 0.000 1.269 106 W CB -0.281 28.506 29.460 -1.121 0.000 1.155 106 W HN 0.730 nan 8.180 nan 0.000 0.484 107 F N 1.752 121.851 119.950 0.247 0.000 2.102 107 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 107 F C 2.457 178.185 175.800 -0.120 0.000 1.105 107 F CA 2.130 60.196 58.000 0.109 0.000 1.239 107 F CB -0.453 38.623 39.000 0.128 0.000 0.991 107 F HN -0.307 nan 8.300 nan 0.000 0.474 108 K N 0.459 120.942 120.400 0.138 0.000 2.063 108 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 108 K C 2.248 178.785 176.600 -0.105 0.000 1.048 108 K CA 1.549 57.857 56.287 0.035 0.000 0.928 108 K CB -1.310 31.242 32.500 0.087 0.000 0.713 108 K HN 0.401 nan 8.250 nan 0.000 0.442 109 L N 1.643 122.785 121.223 -0.134 0.000 2.021 109 L HA -0.288 4.051 4.340 -0.000 0.000 0.215 109 L C 3.013 179.695 176.870 -0.313 0.000 1.074 109 L CA 1.783 56.501 54.840 -0.203 0.000 0.760 109 L CB -0.270 41.578 42.059 -0.352 0.000 0.889 109 L HN 0.219 nan 8.230 nan 0.000 0.433 110 R N -0.446 119.672 120.500 -0.636 0.000 2.080 110 R HA -0.221 4.119 4.340 -0.000 0.000 0.236 110 R C 1.988 177.996 176.300 -0.487 0.000 1.137 110 R CA 1.902 57.508 56.100 -0.823 0.000 0.943 110 R CB -0.495 28.657 30.300 -1.913 0.000 0.846 110 R HN 0.393 nan 8.270 nan 0.000 0.431 111 E N 0.225 120.116 120.200 -0.515 0.000 2.077 111 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 111 E C 2.080 178.583 176.600 -0.162 0.000 0.989 111 E CA 1.832 58.047 56.400 -0.308 0.000 0.800 111 E CB -0.404 29.172 29.700 -0.207 0.000 0.746 111 E HN 0.463 nan 8.360 nan 0.000 0.452 112 T N 0.867 115.365 114.554 -0.093 0.000 2.708 112 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 112 T C 1.741 176.412 174.700 -0.048 0.000 1.037 112 T CA 1.206 63.286 62.100 -0.034 0.000 1.146 112 T CB -0.428 68.460 68.868 0.033 0.000 0.865 112 T HN 0.148 nan 8.240 nan 0.000 0.435 113 Y N 1.271 121.429 120.300 -0.236 0.000 2.181 113 Y HA 0.007 4.557 4.550 -0.000 0.000 0.288 113 Y C 2.245 177.875 175.900 -0.450 0.000 1.146 113 Y CA 0.310 58.217 58.100 -0.321 0.000 1.164 113 Y CB -0.763 37.521 38.460 -0.294 0.000 0.982 113 Y HN 0.155 nan 8.280 nan 0.000 0.515 114 L N -0.735 120.333 121.223 -0.258 0.000 2.079 114 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 114 L C 2.207 178.938 176.870 -0.233 0.000 1.081 114 L CA 1.438 56.099 54.840 -0.300 0.000 0.752 114 L CB -0.316 41.609 42.059 -0.224 0.000 0.896 114 L HN 0.096 nan 8.230 nan 0.000 0.433 115 K N -0.297 119.990 120.400 -0.188 0.000 2.067 115 K HA -0.023 4.296 4.320 -0.000 0.000 0.203 115 K C 1.989 178.487 176.600 -0.170 0.000 1.048 115 K CA 0.993 57.187 56.287 -0.154 0.000 0.954 115 K CB 0.073 32.502 32.500 -0.118 0.000 0.737 115 K HN 0.010 nan 8.250 nan 0.000 0.444 116 K N 0.747 121.024 120.400 -0.205 0.000 2.323 116 K HA 0.096 4.416 4.320 -0.000 0.000 0.197 116 K C -0.146 176.289 176.600 -0.275 0.000 1.043 116 K CA 0.425 56.578 56.287 -0.223 0.000 0.997 116 K CB 0.442 32.807 32.500 -0.224 0.000 0.807 116 K HN 0.118 nan 8.250 nan 0.000 0.497 117 E N 2.186 122.180 120.200 -0.344 0.000 2.216 117 E HA 0.248 4.598 4.350 -0.000 0.000 0.279 117 E C -2.445 173.993 176.600 -0.270 0.000 0.997 117 E CA -2.513 53.679 56.400 -0.347 0.000 0.817 117 E CB 1.169 30.597 29.700 -0.453 0.000 1.096 117 E HN -0.042 nan 8.360 nan 0.000 0.393 118 P HA 0.213 nan 4.420 nan 0.000 0.276 118 P C -0.350 176.852 177.300 -0.163 0.000 1.243 118 P CA 0.040 63.043 63.100 -0.161 0.000 0.768 118 P CB 0.425 32.052 31.700 -0.122 0.000 0.856 119 M N 2.086 121.594 119.600 -0.153 0.000 3.951 119 M HA 0.126 4.605 4.480 -0.000 0.000 0.444 119 M C -0.202 176.034 176.300 -0.108 0.000 1.957 119 M CA -0.190 55.027 55.300 -0.139 0.000 0.521 119 M CB 1.058 33.553 32.600 -0.174 0.000 1.436 119 M HN 0.113 nan 8.290 nan 0.000 0.525 120 D N 1.094 121.436 120.400 -0.096 0.000 2.197 120 D HA 0.129 4.769 4.640 -0.000 0.000 0.212 120 D C 0.677 176.931 176.300 -0.076 0.000 0.963 120 D CA 1.078 55.031 54.000 -0.078 0.000 0.864 120 D CB 0.469 41.227 40.800 -0.070 0.000 1.009 120 D HN 0.372 nan 8.370 nan 0.000 0.479 121 R N 0.085 120.533 120.500 -0.087 0.000 2.758 121 R HA 0.398 4.738 4.340 -0.000 0.000 0.265 121 R C 0.983 177.194 176.300 -0.148 0.000 1.016 121 R CA -0.765 55.276 56.100 -0.099 0.000 1.040 121 R CB 1.523 31.771 30.300 -0.087 0.000 1.152 121 R HN -0.215 nan 8.270 nan 0.000 0.503 122 R N 1.641 122.022 120.500 -0.197 0.000 2.083 122 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 122 R C 1.694 177.656 176.300 -0.564 0.000 1.137 122 R CA 2.358 58.229 56.100 -0.380 0.000 0.951 122 R CB -0.854 29.218 30.300 -0.381 0.000 0.851 122 R HN 0.783 nan 8.270 nan 0.000 0.434 123 A N -0.001 122.621 122.820 -0.331 0.000 2.067 123 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 123 A C 1.982 179.515 177.584 -0.084 0.000 1.158 123 A CA 1.401 53.328 52.037 -0.182 0.000 0.661 123 A CB -0.349 18.623 19.000 -0.046 0.000 0.801 123 A HN 0.544 nan 8.150 nan 0.000 0.452 124 Q N -1.089 118.646 119.800 -0.108 0.000 2.137 124 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 124 Q C 2.080 178.045 176.000 -0.059 0.000 0.960 124 Q CA 1.585 57.347 55.803 -0.068 0.000 0.847 124 Q CB -0.275 28.413 28.738 -0.083 0.000 0.915 124 Q HN 0.660 nan 8.270 nan 0.000 0.448 125 T N 0.757 115.252 114.554 -0.098 0.000 2.652 125 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 125 T C 1.601 176.350 174.700 0.081 0.000 1.039 125 T CA 1.329 63.414 62.100 -0.024 0.000 1.153 125 T CB -0.617 68.228 68.868 -0.039 0.000 0.863 125 T HN 0.387 nan 8.240 nan 0.000 0.428 126 Y N 1.528 121.763 120.300 -0.107 0.000 2.193 126 Y HA -0.203 4.347 4.550 -0.000 0.000 0.285 126 Y C 2.630 178.422 175.900 -0.180 0.000 1.166 126 Y CA 0.492 58.438 58.100 -0.255 0.000 1.181 126 Y CB -0.267 38.209 38.460 0.026 0.000 0.976 126 Y HN 0.228 nan 8.280 nan 0.000 0.520 127 D N -0.110 120.357 120.400 0.112 0.000 2.183 127 D HA -0.096 4.544 4.640 -0.000 0.000 0.203 127 D C 2.169 178.513 176.300 0.073 0.000 0.969 127 D CA 1.065 55.111 54.000 0.077 0.000 0.842 127 D CB -0.242 40.590 40.800 0.052 0.000 0.957 127 D HN 0.330 nan 8.370 nan 0.000 0.484 128 A N 0.589 123.453 122.820 0.074 0.000 1.929 128 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 128 A C 2.311 180.105 177.584 0.349 0.000 1.176 128 A CA 0.608 52.738 52.037 0.156 0.000 0.628 128 A CB -0.543 18.453 19.000 -0.007 0.000 0.816 128 A HN 0.144 nan 8.150 nan 0.000 0.444 129 I N -0.929 119.760 120.570 0.197 0.000 2.252 129 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 129 I C 2.748 178.873 176.117 0.014 0.000 1.102 129 I CA 1.163 62.481 61.300 0.031 0.000 1.385 129 I CB -0.245 37.516 38.000 -0.399 0.000 1.064 129 I HN 0.256 nan 8.210 nan 0.000 0.414 130 R N 0.489 120.991 120.500 0.002 0.000 2.096 130 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 130 R C 2.354 178.734 176.300 0.133 0.000 1.127 130 R CA 1.301 57.456 56.100 0.092 0.000 0.968 130 R CB -0.236 30.131 30.300 0.112 0.000 0.861 130 R HN 0.290 nan 8.270 nan 0.000 0.440 131 K N 0.811 121.314 120.400 0.171 0.000 2.026 131 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 131 K C 2.123 178.887 176.600 0.273 0.000 1.048 131 K CA 1.163 57.584 56.287 0.224 0.000 0.929 131 K CB -0.141 32.518 32.500 0.264 0.000 0.713 131 K HN 0.032 nan 8.250 nan 0.000 0.439 132 L N 1.725 123.108 121.223 0.266 0.000 1.989 132 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 132 L C 2.030 178.964 176.870 0.106 0.000 1.071 132 L CA 1.622 56.437 54.840 -0.042 0.000 0.749 132 L CB -0.461 41.459 42.059 -0.232 0.000 0.890 132 L HN 0.199 nan 8.230 nan 0.000 0.431 133 L N -0.336 120.968 121.223 0.134 0.000 2.042 133 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 133 L C 2.740 179.678 176.870 0.112 0.000 1.076 133 L CA 1.221 56.142 54.840 0.135 0.000 0.749 133 L CB -1.221 40.907 42.059 0.116 0.000 0.893 133 L HN 0.438 nan 8.230 nan 0.000 0.432 134 A N 0.431 123.321 122.820 0.116 0.000 2.024 134 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 134 A C 2.326 179.969 177.584 0.099 0.000 1.164 134 A CA 1.814 53.907 52.037 0.094 0.000 0.643 134 A CB -0.963 18.091 19.000 0.090 0.000 0.806 134 A HN 0.393 nan 8.150 nan 0.000 0.451 135 V N -2.052 117.945 119.914 0.140 0.000 2.867 135 V HA -0.160 3.960 4.120 -0.000 0.000 0.260 135 V C 1.918 178.088 176.094 0.126 0.000 1.099 135 V CA 1.991 64.381 62.300 0.151 0.000 1.122 135 V CB -0.896 31.047 31.823 0.199 0.000 0.708 135 V HN 0.466 nan 8.190 nan 0.000 0.490 136 L N 0.016 121.287 121.223 0.080 0.000 2.478 136 L HA 0.106 4.446 4.340 -0.000 0.000 0.223 136 L C 0.890 177.797 176.870 0.062 0.000 1.140 136 L CA 0.733 55.585 54.840 0.020 0.000 0.842 136 L CB -0.819 41.130 42.059 -0.184 0.000 0.953 136 L HN 0.320 nan 8.230 nan 0.000 0.452 137 D N 1.037 121.469 120.400 0.052 0.000 2.689 137 D HA -0.208 4.432 4.640 -0.000 0.000 0.237 137 D C -0.153 176.168 176.300 0.034 0.000 1.148 137 D CA 1.053 55.072 54.000 0.033 0.000 0.656 137 D CB -0.926 39.897 40.800 0.037 0.000 1.050 137 D HN 0.373 nan 8.370 nan 0.000 0.426 138 D N -0.542 119.882 120.400 0.041 0.000 2.421 138 D HA 0.248 4.888 4.640 -0.000 0.000 0.254 138 D C -1.790 174.509 176.300 -0.003 0.000 1.238 138 D CA -1.864 52.183 54.000 0.079 0.000 0.919 138 D CB 1.501 42.435 40.800 0.223 0.000 1.152 138 D HN -0.149 nan 8.370 nan 0.000 0.552 139 P HA -0.006 nan 4.420 nan 0.000 0.234 139 P C 0.876 177.997 177.300 -0.299 0.000 1.167 139 P CA 0.544 63.363 63.100 -0.469 0.000 0.763 139 P CB -0.056 30.889 31.700 -1.258 0.000 0.835 140 F N -0.940 119.063 119.950 0.087 0.000 2.754 140 F HA 0.119 4.645 4.527 -0.000 0.000 0.297 140 F C 1.088 176.991 175.800 0.172 0.000 1.122 140 F CA 0.310 58.407 58.000 0.162 0.000 1.400 140 F CB -0.468 38.606 39.000 0.123 0.000 1.117 140 F HN -0.296 nan 8.300 nan 0.000 0.587 141 T N 3.797 118.530 114.554 0.298 0.000 2.723 141 T HA 0.408 4.758 4.350 -0.000 0.000 0.297 141 T C 0.131 174.948 174.700 0.194 0.000 0.925 141 T CA -0.307 61.932 62.100 0.233 0.000 1.030 141 T CB 0.269 69.250 68.868 0.189 0.000 0.905 141 T HN -0.031 nan 8.240 nan 0.000 0.502 142 R N 1.770 122.400 120.500 0.218 0.000 2.799 142 R HA 0.457 4.797 4.340 -0.000 0.000 0.270 142 R C -1.375 175.025 176.300 0.166 0.000 1.010 142 R CA -0.856 55.370 56.100 0.210 0.000 0.916 142 R CB 1.893 32.375 30.300 0.303 0.000 1.228 142 R HN 0.516 nan 8.270 nan 0.000 0.469 143 F N 1.153 121.101 119.950 -0.002 0.000 2.425 143 F HA 0.559 5.086 4.527 -0.000 0.000 0.331 143 F C -0.964 174.741 175.800 -0.159 0.000 1.085 143 F CA -0.743 57.211 58.000 -0.077 0.000 1.028 143 F CB 0.906 39.870 39.000 -0.059 0.000 1.177 143 F HN 0.249 nan 8.300 nan 0.000 0.487 144 L N 5.227 125.747 121.223 -1.171 0.000 2.376 144 L HA 0.368 4.708 4.340 -0.000 0.000 0.275 144 L C -0.379 175.708 176.870 -1.305 0.000 0.987 144 L CA -0.591 53.658 54.840 -0.986 0.000 0.828 144 L CB 1.843 43.487 42.059 -0.692 0.000 1.249 144 L HN 0.608 nan 8.230 nan 0.000 0.409 145 E N 3.811 123.504 120.200 -0.845 0.000 2.392 145 E HA 0.092 4.442 4.350 -0.000 0.000 0.259 145 E C -1.629 174.768 176.600 -0.338 0.000 1.108 145 E CA -1.593 54.450 56.400 -0.596 0.000 0.916 145 E CB 0.716 30.268 29.700 -0.247 0.000 0.989 145 E HN 0.325 nan 8.360 nan 0.000 0.432 146 P HA -0.294 nan 4.420 nan 0.000 0.214 146 P C 1.591 178.846 177.300 -0.076 0.000 1.169 146 P CA 2.025 65.073 63.100 -0.087 0.000 0.908 146 P CB -0.032 31.678 31.700 0.018 0.000 0.791 147 S N -0.930 114.745 115.700 -0.041 0.000 2.383 147 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 147 S C 2.048 176.615 174.600 -0.055 0.000 1.030 147 S CA 1.024 59.206 58.200 -0.030 0.000 1.002 147 S CB -0.815 62.384 63.200 -0.001 0.000 0.829 147 S HN -0.055 nan 8.310 nan 0.000 0.467 148 R N 0.671 121.114 120.500 -0.094 0.000 2.092 148 R HA 0.156 4.495 4.340 -0.000 0.000 0.231 148 R C 2.346 178.558 176.300 -0.147 0.000 1.119 148 R CA 1.011 57.044 56.100 -0.112 0.000 0.970 148 R CB -1.612 28.596 30.300 -0.154 0.000 0.864 148 R HN 0.502 nan 8.270 nan 0.000 0.440 149 L N 1.052 122.158 121.223 -0.195 0.000 2.017 149 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 149 L C 2.185 178.992 176.870 -0.105 0.000 1.073 149 L CA 2.031 56.757 54.840 -0.190 0.000 0.745 149 L CB -0.955 40.975 42.059 -0.215 0.000 0.894 149 L HN 0.146 nan 8.230 nan 0.000 0.432 150 A N -0.426 122.348 122.820 -0.077 0.000 1.877 150 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 150 A C 2.450 180.016 177.584 -0.029 0.000 1.186 150 A CA 2.025 54.037 52.037 -0.043 0.000 0.620 150 A CB -1.231 17.752 19.000 -0.029 0.000 0.822 150 A HN 0.588 nan 8.150 nan 0.000 0.443 151 A N -0.466 122.336 122.820 -0.029 0.000 1.930 151 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 151 A C 2.135 179.718 177.584 -0.002 0.000 1.175 151 A CA 1.635 53.665 52.037 -0.011 0.000 0.627 151 A CB -0.641 18.355 19.000 -0.006 0.000 0.815 151 A HN 0.872 nan 8.150 nan 0.000 0.443 152 L N -0.027 121.188 121.223 -0.012 0.000 2.079 152 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 152 L C 2.382 179.262 176.870 0.017 0.000 1.081 152 L CA 1.983 56.833 54.840 0.018 0.000 0.752 152 L CB -0.475 41.581 42.059 -0.005 0.000 0.896 152 L HN 0.326 nan 8.230 nan 0.000 0.433 153 R N -0.280 120.217 120.500 -0.005 0.000 2.070 153 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 153 R C 2.339 178.644 176.300 0.008 0.000 1.138 153 R CA 2.075 58.175 56.100 0.000 0.000 0.936 153 R CB -0.517 29.777 30.300 -0.010 0.000 0.839 153 R HN 0.428 nan 8.270 nan 0.000 0.429 154 R N 0.160 120.663 120.500 0.005 0.000 2.120 154 R HA -0.038 4.302 4.340 -0.000 0.000 0.234 154 R C 1.498 177.805 176.300 0.012 0.000 1.123 154 R CA 0.696 56.800 56.100 0.008 0.000 0.975 154 R CB -0.512 29.791 30.300 0.005 0.000 0.866 154 R HN 0.419 nan 8.270 nan 0.000 0.446 155 G N 0.416 109.226 108.800 0.016 0.000 2.574 155 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.282 155 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.282 155 G C -0.056 174.852 174.900 0.014 0.000 1.257 155 G CA 0.400 45.512 45.100 0.020 0.000 0.956 155 G HN 0.380 nan 8.290 nan 0.000 0.560 156 T N -1.091 113.470 114.554 0.012 0.000 3.477 156 T HA 0.739 5.089 4.350 -0.000 0.000 0.347 156 T C 0.867 175.571 174.700 0.006 0.000 1.567 156 T CA 0.660 62.765 62.100 0.008 0.000 1.169 156 T CB 0.849 69.720 68.868 0.005 0.000 1.196 156 T HN 1.635 nan 8.240 nan 0.000 0.768 157 A N 2.223 125.047 122.820 0.007 0.000 2.106 157 A HA 0.852 5.171 4.320 -0.000 0.000 0.218 157 A C 1.178 178.765 177.584 0.004 0.000 1.718 157 A CA 0.148 52.188 52.037 0.006 0.000 0.768 157 A CB -0.194 18.810 19.000 0.007 0.000 1.321 157 A HN 0.794 nan 8.150 nan 0.000 0.567 158 G N -1.877 106.926 108.800 0.005 0.000 2.524 158 G HA2 0.505 4.465 3.960 -0.000 0.000 0.310 158 G HA3 0.505 4.465 3.960 -0.000 0.000 0.310 158 G C 0.410 175.313 174.900 0.004 0.000 1.279 158 G CA 0.809 45.911 45.100 0.004 0.000 0.974 158 G HN 1.528 nan 8.290 nan 0.000 0.484 159 S N -0.478 115.225 115.700 0.004 0.000 2.194 159 S HA -0.313 4.157 4.470 -0.000 0.000 0.225 159 S C 0.750 175.352 174.600 0.004 0.000 1.176 159 S CA 2.282 60.484 58.200 0.004 0.000 1.694 159 S CB -1.986 61.217 63.200 0.005 0.000 2.249 159 S HN 1.988 nan 8.310 nan 0.000 0.601 160 V N 2.574 122.490 119.914 0.005 0.000 2.368 160 V HA 0.754 4.874 4.120 -0.000 0.000 0.266 160 V C 0.447 176.543 176.094 0.004 0.000 1.045 160 V CA 0.154 62.457 62.300 0.005 0.000 0.899 160 V CB 0.323 32.151 31.823 0.007 0.000 1.006 160 V HN 0.822 nan 8.190 nan 0.000 0.470 161 T N 2.161 116.717 114.554 0.003 0.000 2.916 161 T HA 0.923 5.273 4.350 -0.000 0.000 0.292 161 T C 0.150 174.850 174.700 -0.001 0.000 1.064 161 T CA 0.060 62.160 62.100 0.000 0.000 1.011 161 T CB 2.086 70.954 68.868 -0.000 0.000 1.152 161 T HN 1.038 nan 8.240 nan 0.000 0.510 162 G N -0.527 108.270 108.800 -0.004 0.000 3.247 162 G HA2 0.581 4.541 3.960 -0.000 0.000 0.226 162 G HA3 0.581 4.541 3.960 -0.000 0.000 0.226 162 G C 0.179 175.074 174.900 -0.008 0.000 1.220 162 G CA -0.157 44.939 45.100 -0.006 0.000 0.875 162 G HN 1.617 nan 8.290 nan 0.000 0.606 163 V N -3.063 116.844 119.914 -0.012 0.000 3.070 163 V HA 0.597 4.717 4.120 -0.000 0.000 0.345 163 V C 1.038 177.123 176.094 -0.015 0.000 1.403 163 V CA 0.509 62.801 62.300 -0.012 0.000 1.155 163 V CB -0.004 31.813 31.823 -0.011 0.000 1.140 163 V HN 2.281 nan 8.190 nan 0.000 0.505 164 G N 1.323 110.113 108.800 -0.017 0.000 2.272 164 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.280 164 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.280 164 G C -0.409 174.475 174.900 -0.026 0.000 1.067 164 G CA 0.702 45.791 45.100 -0.020 0.000 0.902 164 G HN 0.654 nan 8.290 nan 0.000 0.500 165 L N -0.479 120.725 121.223 -0.032 0.000 2.362 165 L HA 0.591 4.931 4.340 -0.000 0.000 0.275 165 L C 0.134 176.970 176.870 -0.057 0.000 0.998 165 L CA -0.864 53.950 54.840 -0.043 0.000 0.820 165 L CB 2.120 44.152 42.059 -0.046 0.000 1.270 165 L HN 0.312 nan 8.230 nan 0.000 0.415 166 E N 4.363 124.522 120.200 -0.068 0.000 2.134 166 E HA 0.524 4.874 4.350 -0.000 0.000 0.278 166 E C -0.945 175.580 176.600 -0.126 0.000 0.959 166 E CA -0.528 55.818 56.400 -0.089 0.000 0.783 166 E CB 1.201 30.851 29.700 -0.083 0.000 1.095 166 E HN 0.488 nan 8.360 nan 0.000 0.399 167 I N 0.647 121.127 120.570 -0.150 0.000 2.910 167 I HA 0.782 4.952 4.170 -0.000 0.000 0.310 167 I C -0.165 175.802 176.117 -0.250 0.000 1.043 167 I CA -0.627 60.556 61.300 -0.194 0.000 1.053 167 I CB 2.351 40.234 38.000 -0.196 0.000 1.242 167 I HN 0.449 nan 8.210 nan 0.000 0.452 168 T N 0.864 115.241 114.554 -0.296 0.000 2.693 168 T HA 0.458 4.808 4.350 -0.000 0.000 0.304 168 T C -1.635 172.847 174.700 -0.364 0.000 1.471 168 T CA -0.466 61.447 62.100 -0.312 0.000 0.993 168 T CB 0.843 69.567 68.868 -0.239 0.000 1.554 168 T HN 0.512 nan 8.240 nan 0.000 0.496 169 Y N 1.271 121.579 120.300 0.013 0.000 2.335 169 Y HA 0.401 4.951 4.550 -0.000 0.000 0.323 169 Y C 0.866 176.871 175.900 0.175 0.000 1.224 169 Y CA -0.380 57.729 58.100 0.014 0.000 1.241 169 Y CB 0.621 39.008 38.460 -0.121 0.000 1.235 169 Y HN 0.666 nan 8.280 nan 0.000 0.492 170 D N 1.012 121.598 120.400 0.309 0.000 2.629 170 D HA -0.069 4.571 4.640 -0.000 0.000 0.228 170 D C 1.326 177.779 176.300 0.254 0.000 1.127 170 D CA 1.060 55.212 54.000 0.252 0.000 0.855 170 D CB 1.058 41.953 40.800 0.159 0.000 1.180 170 D HN 0.792 nan 8.370 nan 0.000 0.484 171 G N 2.665 111.557 108.800 0.152 0.000 2.479 171 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.220 171 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.220 171 G C 1.109 176.017 174.900 0.013 0.000 1.115 171 G CA 0.639 45.722 45.100 -0.029 0.000 0.757 171 G HN 0.583 nan 8.290 nan 0.000 0.560 172 G N -0.959 107.862 108.800 0.035 0.000 3.192 172 G HA2 0.329 4.289 3.960 -0.000 0.000 0.239 172 G HA3 0.329 4.289 3.960 -0.000 0.000 0.239 172 G C 0.362 175.291 174.900 0.049 0.000 1.084 172 G CA 0.744 45.862 45.100 0.031 0.000 0.784 172 G HN 0.552 nan 8.290 nan 0.000 0.540 173 S N -0.632 115.117 115.700 0.080 0.000 4.483 173 S HA -0.063 4.407 4.470 -0.000 0.000 0.553 173 S C 1.352 175.974 174.600 0.037 0.000 0.944 173 S CA 0.830 59.073 58.200 0.072 0.000 1.234 173 S CB -0.681 62.547 63.200 0.048 0.000 2.206 173 S HN 0.994 nan 8.310 nan 0.000 0.355 174 G N 3.234 112.064 108.800 0.049 0.000 3.519 174 G HA2 0.362 4.322 3.960 -0.000 0.000 0.269 174 G HA3 0.362 4.322 3.960 -0.000 0.000 0.269 174 G C 0.388 175.307 174.900 0.032 0.000 1.028 174 G CA 0.236 45.358 45.100 0.037 0.000 0.809 174 G HN 0.884 nan 8.290 nan 0.000 0.521 175 K N -0.091 120.325 120.400 0.027 0.000 3.467 175 K HA -0.119 4.201 4.320 -0.000 0.000 0.309 175 K C -0.731 175.964 176.600 0.158 0.000 1.350 175 K CA 0.642 56.942 56.287 0.023 0.000 0.934 175 K CB -0.962 31.515 32.500 -0.039 0.000 1.312 175 K HN 0.333 nan 8.250 nan 0.000 0.461 176 D N 1.177 121.667 120.400 0.150 0.000 2.389 176 D HA 0.138 4.778 4.640 -0.000 0.000 0.247 176 D C -0.060 176.330 176.300 0.149 0.000 1.128 176 D CA 0.151 54.232 54.000 0.134 0.000 0.884 176 D CB 1.176 42.039 40.800 0.106 0.000 1.194 176 D HN -0.143 nan 8.370 nan 0.000 0.441 177 V N 3.914 123.867 119.914 0.066 0.000 2.406 177 V HA 0.225 4.345 4.120 -0.000 0.000 0.272 177 V C 0.660 176.723 176.094 -0.052 0.000 1.043 177 V CA -0.457 61.813 62.300 -0.050 0.000 0.915 177 V CB 1.189 32.958 31.823 -0.090 0.000 0.988 177 V HN 0.344 nan 8.190 nan 0.000 0.466 178 V N 3.589 123.464 119.914 -0.066 0.000 3.113 178 V HA 0.682 4.802 4.120 -0.000 0.000 0.316 178 V C -0.213 175.832 176.094 -0.081 0.000 1.125 178 V CA -0.924 61.349 62.300 -0.044 0.000 1.026 178 V CB 2.153 33.999 31.823 0.040 0.000 1.080 178 V HN 0.380 nan 8.190 nan 0.000 0.444 179 V N 3.081 122.960 119.914 -0.059 0.000 2.387 179 V HA 0.143 4.263 4.120 -0.000 0.000 0.260 179 V C 1.345 177.391 176.094 -0.080 0.000 1.054 179 V CA 0.054 62.312 62.300 -0.070 0.000 0.967 179 V CB 0.412 32.207 31.823 -0.047 0.000 1.036 179 V HN 0.901 nan 8.190 nan 0.000 0.481 180 L N 3.797 124.921 121.223 -0.165 0.000 1.994 180 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 180 L C 0.976 177.771 176.870 -0.124 0.000 1.071 180 L CA 2.104 56.779 54.840 -0.275 0.000 0.745 180 L CB 0.494 42.334 42.059 -0.365 0.000 0.892 180 L HN 0.759 nan 8.230 nan 0.000 0.431 181 T N -0.457 114.043 114.554 -0.090 0.000 3.047 181 T HA 0.410 4.760 4.350 -0.000 0.000 0.340 181 T C -2.822 171.854 174.700 -0.040 0.000 1.421 181 T CA -1.017 61.057 62.100 -0.044 0.000 1.090 181 T CB 1.949 70.800 68.868 -0.029 0.000 1.292 181 T HN -0.100 nan 8.240 nan 0.000 0.480 182 P HA 0.533 nan 4.420 nan 0.000 0.284 182 P C -1.169 176.119 177.300 -0.020 0.000 1.253 182 P CA -0.517 62.569 63.100 -0.023 0.000 0.800 182 P CB 0.757 32.447 31.700 -0.016 0.000 0.961 183 A N 4.905 127.712 122.820 -0.022 0.000 2.409 183 A HA 0.439 4.758 4.320 -0.000 0.000 0.267 183 A C -2.079 175.495 177.584 -0.017 0.000 1.127 183 A CA -1.434 50.590 52.037 -0.021 0.000 0.795 183 A CB -1.017 17.970 19.000 -0.021 0.000 1.061 183 A HN 0.391 nan 8.150 nan 0.000 0.502 184 P HA 0.156 nan 4.420 nan 0.000 0.264 184 P C 0.972 178.264 177.300 -0.013 0.000 1.193 184 P CA 1.622 64.714 63.100 -0.014 0.000 0.763 184 P CB 0.556 32.248 31.700 -0.014 0.000 0.810 185 G N 2.070 110.864 108.800 -0.010 0.000 2.155 185 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.257 185 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.257 185 G C 0.561 175.455 174.900 -0.010 0.000 0.983 185 G CA -0.038 45.056 45.100 -0.010 0.000 0.676 185 G HN 0.900 nan 8.290 nan 0.000 0.528 186 G N -0.423 108.370 108.800 -0.011 0.000 2.537 186 G HA2 0.590 4.550 3.960 -0.000 0.000 0.273 186 G HA3 0.590 4.550 3.960 -0.000 0.000 0.273 186 G C -0.513 174.381 174.900 -0.010 0.000 1.189 186 G CA -0.397 44.696 45.100 -0.012 0.000 0.881 186 G HN 0.070 nan 8.290 nan 0.000 0.535 187 P HA -0.191 nan 4.420 nan 0.000 0.213 187 P C 2.231 179.527 177.300 -0.008 0.000 1.170 187 P CA 2.539 65.635 63.100 -0.008 0.000 0.902 187 P CB 0.101 31.797 31.700 -0.007 0.000 0.789 188 A N -0.207 122.607 122.820 -0.010 0.000 1.908 188 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 188 A C 2.353 179.932 177.584 -0.009 0.000 1.181 188 A CA 1.805 53.836 52.037 -0.010 0.000 0.627 188 A CB -1.354 17.637 19.000 -0.015 0.000 0.818 188 A HN 0.196 nan 8.150 nan 0.000 0.445 189 E N 0.037 120.231 120.200 -0.010 0.000 2.110 189 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 189 E C 1.848 178.445 176.600 -0.005 0.000 0.988 189 E CA 1.320 57.716 56.400 -0.007 0.000 0.804 189 E CB -0.123 29.573 29.700 -0.008 0.000 0.745 189 E HN 0.621 nan 8.360 nan 0.000 0.458 190 K N -0.319 120.078 120.400 -0.006 0.000 2.211 190 K HA -0.057 4.263 4.320 -0.000 0.000 0.203 190 K C 1.485 178.083 176.600 -0.003 0.000 1.050 190 K CA 0.843 57.127 56.287 -0.005 0.000 0.945 190 K CB 0.078 32.575 32.500 -0.005 0.000 0.732 190 K HN 0.021 nan 8.250 nan 0.000 0.451 191 A N 0.299 123.118 122.820 -0.003 0.000 2.411 191 A HA 0.312 4.632 4.320 -0.000 0.000 0.251 191 A C 1.118 178.702 177.584 0.000 0.000 1.317 191 A CA 0.506 52.542 52.037 -0.001 0.000 0.904 191 A CB -0.343 18.656 19.000 -0.001 0.000 0.993 191 A HN 0.379 nan 8.150 nan 0.000 0.504 192 G N -1.481 107.319 108.800 -0.000 0.000 2.179 192 G HA2 0.013 3.973 3.960 -0.000 0.000 0.260 192 G HA3 0.013 3.973 3.960 -0.000 0.000 0.260 192 G C 0.604 175.504 174.900 0.001 0.000 0.977 192 G CA 0.269 45.370 45.100 0.002 0.000 0.641 192 G HN 1.736 nan 8.290 nan 0.000 0.533 193 A N 0.065 122.883 122.820 -0.002 0.000 2.498 193 A HA 0.651 4.971 4.320 -0.000 0.000 0.239 193 A C 0.778 178.359 177.584 -0.004 0.000 1.068 193 A CA 0.768 52.802 52.037 -0.005 0.000 0.766 193 A CB 0.230 19.224 19.000 -0.011 0.000 1.003 193 A HN 0.618 nan 8.150 nan 0.000 0.497 194 R N 0.800 121.299 120.500 -0.003 0.000 2.807 194 R HA 0.584 4.924 4.340 -0.000 0.000 0.276 194 R C -0.196 176.108 176.300 0.006 0.000 0.979 194 R CA -0.540 55.562 56.100 0.004 0.000 0.928 194 R CB 2.087 32.393 30.300 0.010 0.000 1.191 194 R HN 0.903 nan 8.270 nan 0.000 0.471 195 A N 0.706 123.536 122.820 0.017 0.000 2.546 195 A HA 0.393 4.713 4.320 -0.000 0.000 0.243 195 A C 1.192 178.809 177.584 0.056 0.000 1.063 195 A CA 1.245 53.302 52.037 0.033 0.000 0.757 195 A CB -0.460 18.571 19.000 0.050 0.000 0.991 195 A HN 0.976 nan 8.150 nan 0.000 0.503 196 G N 2.025 110.869 108.800 0.073 0.000 2.213 196 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.226 196 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.226 196 G C -0.063 174.843 174.900 0.011 0.000 0.992 196 G CA 0.184 45.335 45.100 0.085 0.000 0.632 196 G HN 0.791 nan 8.290 nan 0.000 0.511 197 D N 0.746 121.133 120.400 -0.021 0.000 2.382 197 D HA 0.446 5.086 4.640 -0.000 0.000 0.245 197 D C 0.729 176.954 176.300 -0.125 0.000 1.120 197 D CA 0.073 54.023 54.000 -0.082 0.000 0.890 197 D CB 1.771 42.535 40.800 -0.060 0.000 1.201 197 D HN 0.177 nan 8.370 nan 0.000 0.433 198 V N 3.713 123.463 119.914 -0.273 0.000 2.461 198 V HA 0.214 4.334 4.120 -0.000 0.000 0.275 198 V C 0.740 176.725 176.094 -0.183 0.000 1.047 198 V CA -0.613 61.512 62.300 -0.291 0.000 0.955 198 V CB 0.785 32.263 31.823 -0.575 0.000 0.988 198 V HN 0.325 nan 8.190 nan 0.000 0.471 199 I N 5.046 125.565 120.570 -0.085 0.000 2.352 199 I HA 0.164 4.334 4.170 -0.000 0.000 0.290 199 I C 0.912 177.033 176.117 0.006 0.000 1.036 199 I CA 0.023 61.301 61.300 -0.037 0.000 1.336 199 I CB 1.407 39.384 38.000 -0.038 0.000 1.407 199 I HN 0.420 nan 8.210 nan 0.000 0.497 200 V N 4.094 124.032 119.914 0.039 0.000 2.391 200 V HA 0.026 4.145 4.120 -0.000 0.000 0.237 200 V C 0.880 177.001 176.094 0.046 0.000 1.046 200 V CA 1.264 63.606 62.300 0.071 0.000 1.053 200 V CB 0.163 32.054 31.823 0.113 0.000 0.704 200 V HN 0.892 nan 8.190 nan 0.000 0.475 201 T N -1.907 112.668 114.554 0.036 0.000 2.906 201 T HA 0.733 5.082 4.350 -0.000 0.000 0.295 201 T C -1.150 173.561 174.700 0.017 0.000 1.075 201 T CA -0.578 61.538 62.100 0.027 0.000 1.005 201 T CB 2.260 71.144 68.868 0.027 0.000 1.136 201 T HN -0.093 nan 8.240 nan 0.000 0.498 202 V N 2.253 122.176 119.914 0.014 0.000 2.419 202 V HA 0.402 4.522 4.120 -0.000 0.000 0.287 202 V C -0.454 175.648 176.094 0.012 0.000 1.017 202 V CA -0.616 61.690 62.300 0.009 0.000 0.844 202 V CB 0.818 32.644 31.823 0.005 0.000 1.011 202 V HN 1.136 nan 8.190 nan 0.000 0.429 203 D N 4.312 124.719 120.400 0.012 0.000 2.723 203 D HA -0.191 4.449 4.640 -0.000 0.000 0.236 203 D C 1.413 177.721 176.300 0.015 0.000 1.138 203 D CA 1.890 55.898 54.000 0.012 0.000 0.676 203 D CB -0.973 39.834 40.800 0.012 0.000 1.069 203 D HN 1.375 nan 8.370 nan 0.000 0.430 204 G N -1.393 107.417 108.800 0.016 0.000 2.245 204 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.264 204 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.264 204 G C 0.592 175.505 174.900 0.020 0.000 0.985 204 G CA 0.782 45.893 45.100 0.018 0.000 0.625 204 G HN 0.542 nan 8.290 nan 0.000 0.536 205 T N 2.147 116.713 114.554 0.020 0.000 2.779 205 T HA 0.572 4.922 4.350 -0.000 0.000 0.296 205 T C 0.769 175.485 174.700 0.026 0.000 0.938 205 T CA 0.438 62.551 62.100 0.023 0.000 1.119 205 T CB 1.381 70.263 68.868 0.023 0.000 0.891 205 T HN 1.301 nan 8.240 nan 0.000 0.526 206 A N 3.015 125.852 122.820 0.029 0.000 2.520 206 A HA 0.318 4.638 4.320 -0.000 0.000 0.245 206 A C 1.462 179.067 177.584 0.036 0.000 1.072 206 A CA -0.480 51.577 52.037 0.034 0.000 0.761 206 A CB 0.035 19.057 19.000 0.035 0.000 1.004 206 A HN 0.948 nan 8.150 nan 0.000 0.499 207 V N 0.594 120.530 119.914 0.037 0.000 3.644 207 V HA 0.192 4.312 4.120 -0.000 0.000 0.267 207 V C 0.910 177.038 176.094 0.056 0.000 1.277 207 V CA 0.550 62.872 62.300 0.037 0.000 1.096 207 V CB -1.145 30.688 31.823 0.016 0.000 0.828 207 V HN 0.781 nan 8.190 nan 0.000 0.446 208 K N 1.749 122.185 120.400 0.060 0.000 2.473 208 K HA 0.229 4.549 4.320 -0.000 0.000 0.277 208 K C 1.342 177.990 176.600 0.080 0.000 1.052 208 K CA 1.291 57.623 56.287 0.075 0.000 1.114 208 K CB -0.311 32.228 32.500 0.066 0.000 0.869 208 K HN 0.824 nan 8.250 nan 0.000 0.481 209 G N 3.277 112.143 108.800 0.110 0.000 2.253 209 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.251 209 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.251 209 G C 0.252 175.214 174.900 0.103 0.000 0.998 209 G CA 0.229 45.376 45.100 0.079 0.000 0.621 209 G HN 0.514 nan 8.290 nan 0.000 0.524 210 L N 1.190 122.486 121.223 0.122 0.000 2.476 210 L HA 0.531 4.871 4.340 -0.000 0.000 0.255 210 L C 1.499 178.479 176.870 0.184 0.000 1.218 210 L CA 0.179 55.090 54.840 0.119 0.000 0.819 210 L CB 0.651 42.761 42.059 0.084 0.000 1.119 210 L HN 0.298 nan 8.230 nan 0.000 0.485 211 S N 0.028 115.826 115.700 0.164 0.000 2.572 211 S HA 0.143 4.613 4.470 -0.000 0.000 0.279 211 S C 1.140 175.784 174.600 0.074 0.000 1.341 211 S CA -0.595 57.725 58.200 0.200 0.000 1.043 211 S CB 0.508 63.855 63.200 0.243 0.000 0.887 211 S HN 0.532 nan 8.310 nan 0.000 0.516 212 L N 3.605 124.783 121.223 -0.075 0.000 2.141 212 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 212 L C 1.785 178.531 176.870 -0.208 0.000 1.094 212 L CA 1.294 55.959 54.840 -0.291 0.000 0.763 212 L CB -0.656 41.112 42.059 -0.485 0.000 0.908 212 L HN 0.807 nan 8.230 nan 0.000 0.437 213 Y N 0.100 120.406 120.300 0.010 0.000 2.274 213 Y HA -0.238 4.312 4.550 -0.000 0.000 0.290 213 Y C 2.419 178.318 175.900 -0.001 0.000 1.145 213 Y CA 0.968 59.070 58.100 0.003 0.000 1.203 213 Y CB -0.321 38.141 38.460 0.004 0.000 0.984 213 Y HN 0.234 nan 8.280 nan 0.000 0.533 214 D N -0.567 119.922 120.400 0.148 0.000 2.137 214 D HA -0.103 4.537 4.640 -0.000 0.000 0.202 214 D C 2.327 178.654 176.300 0.046 0.000 0.970 214 D CA 1.094 55.150 54.000 0.092 0.000 0.837 214 D CB -0.341 40.514 40.800 0.092 0.000 0.981 214 D HN 0.175 nan 8.370 nan 0.000 0.475 215 V N 1.154 121.077 119.914 0.014 0.000 2.407 215 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 215 V C 2.449 178.530 176.094 -0.020 0.000 1.055 215 V CA 1.511 63.801 62.300 -0.016 0.000 1.049 215 V CB -0.551 31.239 31.823 -0.056 0.000 0.662 215 V HN 0.112 nan 8.190 nan 0.000 0.455 216 S N -0.277 115.408 115.700 -0.025 0.000 2.399 216 S HA -0.192 4.278 4.470 -0.000 0.000 0.231 216 S C 1.729 176.332 174.600 0.006 0.000 1.022 216 S CA 1.307 59.496 58.200 -0.018 0.000 0.983 216 S CB -0.363 62.824 63.200 -0.022 0.000 0.803 216 S HN 0.604 nan 8.310 nan 0.000 0.480 217 D N 1.404 121.819 120.400 0.024 0.000 2.144 217 D HA 0.015 4.655 4.640 -0.000 0.000 0.200 217 D C 1.775 178.086 176.300 0.018 0.000 0.978 217 D CA 0.676 54.692 54.000 0.028 0.000 0.833 217 D CB -0.214 40.610 40.800 0.039 0.000 0.961 217 D HN 0.313 nan 8.370 nan 0.000 0.470 218 L N 0.067 121.299 121.223 0.015 0.000 2.217 218 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 218 L C 2.290 179.163 176.870 0.004 0.000 1.107 218 L CA 0.460 55.307 54.840 0.011 0.000 0.783 218 L CB -0.005 42.060 42.059 0.010 0.000 0.919 218 L HN 0.014 nan 8.230 nan 0.000 0.442 219 L N -1.434 119.788 121.223 -0.002 0.000 2.375 219 L HA 0.018 4.357 4.340 -0.000 0.000 0.215 219 L C 0.990 177.858 176.870 -0.004 0.000 1.108 219 L CA 0.156 54.992 54.840 -0.007 0.000 0.830 219 L CB 0.052 42.101 42.059 -0.018 0.000 0.959 219 L HN 0.277 nan 8.230 nan 0.000 0.457 220 Q N -0.722 119.078 119.800 0.000 0.000 2.256 220 Q HA 0.579 4.919 4.340 -0.000 0.000 0.232 220 Q C -0.003 176.000 176.000 0.005 0.000 0.965 220 Q CA 0.031 55.835 55.803 0.003 0.000 0.908 220 Q CB 1.664 30.406 28.738 0.006 0.000 1.209 220 Q HN 0.163 nan 8.270 nan 0.000 0.489 221 G N 0.032 108.835 108.800 0.005 0.000 2.325 221 G HA2 0.081 4.041 3.960 -0.000 0.000 0.295 221 G HA3 0.081 4.041 3.960 -0.000 0.000 0.295 221 G C -1.460 173.443 174.900 0.005 0.000 1.274 221 G CA -0.820 44.284 45.100 0.006 0.000 0.857 221 G HN 0.375 nan 8.290 nan 0.000 0.499 222 E N 0.255 120.458 120.200 0.005 0.000 2.398 222 E HA 0.478 4.828 4.350 -0.000 0.000 0.263 222 E C 0.956 177.558 176.600 0.003 0.000 1.046 222 E CA 0.317 56.720 56.400 0.004 0.000 0.908 222 E CB 1.330 31.033 29.700 0.005 0.000 0.963 222 E HN 0.869 nan 8.360 nan 0.000 0.431 223 A N 2.890 125.712 122.820 0.002 0.000 2.555 223 A HA -0.007 4.313 4.320 -0.000 0.000 0.233 223 A C 0.516 178.100 177.584 0.001 0.000 1.060 223 A CA 0.437 52.475 52.037 0.001 0.000 0.759 223 A CB 0.076 19.076 19.000 0.001 0.000 0.995 223 A HN 0.790 nan 8.150 nan 0.000 0.506 224 D N -0.908 119.492 120.400 0.000 0.000 2.792 224 D HA -0.178 4.462 4.640 -0.000 0.000 0.192 224 D C 0.542 176.843 176.300 0.001 0.000 1.007 224 D CA 1.670 55.670 54.000 0.001 0.000 1.020 224 D CB -2.118 38.682 40.800 0.001 0.000 1.089 224 D HN 0.973 nan 8.370 nan 0.000 0.438 225 S N -0.323 115.378 115.700 0.002 0.000 2.632 225 S HA 0.545 5.015 4.470 -0.000 0.000 0.267 225 S C 0.215 174.816 174.600 0.002 0.000 1.276 225 S CA -0.549 57.653 58.200 0.003 0.000 0.998 225 S CB 2.588 65.790 63.200 0.004 0.000 0.953 225 S HN 0.151 nan 8.310 nan 0.000 0.547 226 Q N -0.419 119.383 119.800 0.003 0.000 2.359 226 Q HA 0.771 5.111 4.340 -0.000 0.000 0.275 226 Q C -1.438 174.564 176.000 0.003 0.000 1.082 226 Q CA -1.003 54.801 55.803 0.003 0.000 0.849 226 Q CB 2.210 30.950 28.738 0.003 0.000 1.377 226 Q HN 0.575 nan 8.270 nan 0.000 0.452 227 V N 0.452 120.367 119.914 0.003 0.000 2.932 227 V HA 0.308 4.428 4.120 -0.000 0.000 0.307 227 V C -1.617 174.479 176.094 0.003 0.000 1.147 227 V CA -0.504 61.798 62.300 0.003 0.000 0.951 227 V CB 2.183 34.007 31.823 0.002 0.000 1.031 227 V HN 0.840 nan 8.190 nan 0.000 0.426 228 E N 4.400 124.603 120.200 0.005 0.000 2.156 228 E HA 0.641 4.991 4.350 -0.000 0.000 0.279 228 E C -1.717 174.887 176.600 0.007 0.000 0.965 228 E CA -0.485 55.918 56.400 0.007 0.000 0.789 228 E CB 1.872 31.577 29.700 0.009 0.000 1.098 228 E HN 0.575 nan 8.360 nan 0.000 0.397 229 V N 5.103 125.021 119.914 0.006 0.000 2.444 229 V HA 0.275 4.395 4.120 -0.000 0.000 0.294 229 V C -0.366 175.735 176.094 0.011 0.000 1.022 229 V CA -0.864 61.439 62.300 0.005 0.000 0.850 229 V CB 1.718 33.539 31.823 -0.003 0.000 0.992 229 V HN 0.497 nan 8.190 nan 0.000 0.426 230 V N 6.857 126.782 119.914 0.018 0.000 2.370 230 V HA 0.610 4.730 4.120 -0.000 0.000 0.283 230 V C -0.439 175.677 176.094 0.037 0.000 1.023 230 V CA -0.315 62.003 62.300 0.030 0.000 0.857 230 V CB 1.365 33.210 31.823 0.038 0.000 0.985 230 V HN 0.656 nan 8.190 nan 0.000 0.443 231 L N 4.956 126.204 121.223 0.041 0.000 2.376 231 L HA 0.720 5.060 4.340 -0.000 0.000 0.258 231 L C -0.287 176.632 176.870 0.082 0.000 1.013 231 L CA -0.554 54.300 54.840 0.024 0.000 0.822 231 L CB 1.985 44.033 42.059 -0.017 0.000 1.388 231 L HN 0.831 nan 8.230 nan 0.000 0.413 232 H N -0.118 118.961 119.070 0.015 0.000 2.928 232 H HA 0.850 5.406 4.556 -0.000 0.000 0.371 232 H C -1.084 174.256 175.328 0.020 0.000 1.186 232 H CA -1.110 54.948 56.048 0.016 0.000 1.134 232 H CB 1.744 31.516 29.762 0.016 0.000 1.824 232 H HN 0.806 nan 8.280 nan 0.000 0.554 233 A N 2.760 125.665 122.820 0.140 0.000 2.520 233 A HA 0.271 4.590 4.320 -0.000 0.000 0.245 233 A C -2.315 175.337 177.584 0.114 0.000 1.072 233 A CA -1.265 50.822 52.037 0.084 0.000 0.761 233 A CB -0.672 18.384 19.000 0.092 0.000 1.004 233 A HN 0.535 nan 8.150 nan 0.000 0.499 234 P HA 0.112 nan 4.420 nan 0.000 0.258 234 P C 0.914 178.273 177.300 0.098 0.000 1.172 234 P CA 1.893 65.014 63.100 0.035 0.000 0.762 234 P CB 0.155 31.869 31.700 0.023 0.000 0.764 235 G N 2.542 111.428 108.800 0.143 0.000 2.221 235 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.265 235 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.265 235 G C 0.285 175.256 174.900 0.117 0.000 1.041 235 G CA 0.053 45.225 45.100 0.122 0.000 0.807 235 G HN 0.908 nan 8.290 nan 0.000 0.502 236 A N -0.696 122.244 122.820 0.201 0.000 3.307 236 A HA 0.762 5.082 4.320 -0.000 0.000 0.289 236 A C -1.070 176.490 177.584 -0.039 0.000 1.138 236 A CA -0.065 52.032 52.037 0.099 0.000 0.860 236 A CB 0.990 20.052 19.000 0.104 0.000 1.318 236 A HN 0.023 nan 8.150 nan 0.000 0.551 237 P HA -0.172 nan 4.420 nan 0.000 0.221 237 P C 1.551 178.559 177.300 -0.487 0.000 1.145 237 P CA 2.108 64.576 63.100 -1.054 0.000 0.795 237 P CB 0.211 31.607 31.700 -0.508 0.000 0.775 238 S N -2.694 112.875 115.700 -0.217 0.000 2.524 238 S HA 0.056 4.526 4.470 -0.000 0.000 0.216 238 S C 1.059 175.637 174.600 -0.037 0.000 0.987 238 S CA -0.143 57.996 58.200 -0.102 0.000 0.909 238 S CB -0.923 62.241 63.200 -0.060 0.000 0.781 238 S HN -0.057 nan 8.310 nan 0.000 0.521 239 N N 3.364 122.062 118.700 -0.003 0.000 2.868 239 N HA 0.239 4.979 4.740 -0.000 0.000 0.252 239 N C -0.440 175.134 175.510 0.107 0.000 1.130 239 N CA 0.053 53.135 53.050 0.053 0.000 1.026 239 N CB 0.427 38.953 38.487 0.065 0.000 1.335 239 N HN 0.550 nan 8.380 nan 0.000 0.516 240 T N -0.227 114.373 114.554 0.076 0.000 2.952 240 T HA 0.665 5.015 4.350 -0.000 0.000 0.286 240 T C -0.110 174.626 174.700 0.060 0.000 1.024 240 T CA -0.909 61.249 62.100 0.096 0.000 1.029 240 T CB 1.967 70.882 68.868 0.079 0.000 1.094 240 T HN 0.109 nan 8.240 nan 0.000 0.515 241 R N 0.264 120.797 120.500 0.055 0.000 2.626 241 R HA 0.523 4.863 4.340 -0.000 0.000 0.274 241 R C -1.287 175.031 176.300 0.030 0.000 1.031 241 R CA -0.624 55.497 56.100 0.035 0.000 0.898 241 R CB 2.287 32.604 30.300 0.029 0.000 1.222 241 R HN 0.841 nan 8.270 nan 0.000 0.455 242 T N 3.706 118.274 114.554 0.022 0.000 2.758 242 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 242 T C 0.024 174.732 174.700 0.013 0.000 0.981 242 T CA -0.498 61.613 62.100 0.018 0.000 0.965 242 T CB 0.760 69.638 68.868 0.017 0.000 0.927 242 T HN 0.199 nan 8.240 nan 0.000 0.448 243 L N 3.309 124.538 121.223 0.011 0.000 2.346 243 L HA 0.523 4.863 4.340 -0.000 0.000 0.276 243 L C -0.024 176.849 176.870 0.005 0.000 1.006 243 L CA -1.071 53.773 54.840 0.007 0.000 0.817 243 L CB 1.626 43.687 42.059 0.004 0.000 1.272 243 L HN 0.346 nan 8.230 nan 0.000 0.421 244 Q N 4.864 124.666 119.800 0.004 0.000 2.462 244 Q HA 0.504 4.844 4.340 -0.000 0.000 0.247 244 Q C -0.896 175.105 176.000 0.002 0.000 1.044 244 Q CA -0.241 55.564 55.803 0.004 0.000 0.803 244 Q CB 2.107 30.848 28.738 0.004 0.000 1.190 244 Q HN 0.556 nan 8.270 nan 0.000 0.507 245 L N 1.219 122.443 121.223 0.001 0.000 2.325 245 L HA 0.505 4.845 4.340 -0.000 0.000 0.279 245 L C 0.424 177.294 176.870 -0.001 0.000 1.054 245 L CA -0.533 54.306 54.840 -0.001 0.000 0.804 245 L CB 1.286 43.343 42.059 -0.003 0.000 1.200 245 L HN 0.250 nan 8.230 nan 0.000 0.436 246 T N 2.324 116.877 114.554 -0.001 0.000 2.767 246 T HA 0.360 4.710 4.350 -0.000 0.000 0.284 246 T C 0.109 174.808 174.700 -0.002 0.000 0.973 246 T CA -0.654 61.446 62.100 -0.001 0.000 0.996 246 T CB 0.620 69.488 68.868 -0.001 0.000 0.927 246 T HN 0.427 nan 8.240 nan 0.000 0.456 247 R N 3.046 123.546 120.500 -0.001 0.000 2.537 247 R HA 0.390 4.730 4.340 -0.000 0.000 0.280 247 R C 0.086 176.385 176.300 -0.002 0.000 1.058 247 R CA -0.090 56.009 56.100 -0.002 0.000 1.057 247 R CB 0.442 30.742 30.300 -0.001 0.000 0.973 247 R HN 0.633 nan 8.270 nan 0.000 0.438 248 Q N 0.759 120.557 119.800 -0.003 0.000 2.578 248 Q HA 0.177 4.517 4.340 -0.000 0.000 0.284 248 Q C -1.405 174.593 176.000 -0.004 0.000 0.960 248 Q CA -0.978 54.822 55.803 -0.003 0.000 0.809 248 Q CB 2.591 31.326 28.738 -0.004 0.000 1.462 248 Q HN 0.371 nan 8.270 nan 0.000 0.392 249 K N 1.395 121.793 120.400 -0.004 0.000 2.447 249 K HA 0.224 4.544 4.320 -0.000 0.000 0.281 249 K C -0.985 175.611 176.600 -0.006 0.000 1.031 249 K CA 0.054 56.339 56.287 -0.004 0.000 1.019 249 K CB 0.446 32.944 32.500 -0.003 0.000 0.918 249 K HN 0.333 nan 8.250 nan 0.000 0.476 250 V N 4.073 123.983 119.914 -0.008 0.000 2.427 250 V HA 0.196 4.316 4.120 -0.000 0.000 0.286 250 V C -0.198 175.890 176.094 -0.011 0.000 1.034 250 V CA -0.568 61.726 62.300 -0.010 0.000 0.893 250 V CB 1.776 33.592 31.823 -0.012 0.000 0.982 250 V HN 0.815 nan 8.190 nan 0.000 0.452 251 T N 6.177 120.723 114.554 -0.012 0.000 3.060 251 T HA 0.504 4.854 4.350 -0.000 0.000 0.367 251 T C -0.103 174.585 174.700 -0.019 0.000 1.229 251 T CA -0.095 61.997 62.100 -0.014 0.000 1.104 251 T CB -0.021 68.839 68.868 -0.013 0.000 1.083 251 T HN 0.382 nan 8.240 nan 0.000 0.524 252 I N 3.516 124.073 120.570 -0.023 0.000 2.421 252 I HA 0.148 4.318 4.170 -0.000 0.000 0.291 252 I C 0.787 176.881 176.117 -0.039 0.000 1.089 252 I CA -0.511 60.770 61.300 -0.031 0.000 1.354 252 I CB 0.219 38.198 38.000 -0.036 0.000 1.413 252 I HN 0.439 nan 8.210 nan 0.000 0.513 253 N N 9.526 128.203 118.700 -0.039 0.000 2.416 253 N HA 0.131 4.871 4.740 -0.000 0.000 0.265 253 N C -1.464 174.005 175.510 -0.068 0.000 1.195 253 N CA -1.265 51.758 53.050 -0.045 0.000 0.943 253 N CB 0.895 39.360 38.487 -0.036 0.000 1.115 253 N HN 0.256 nan 8.380 nan 0.000 0.481 254 P HA -0.142 nan 4.420 nan 0.000 0.216 254 P C -0.522 176.683 177.300 -0.159 0.000 1.153 254 P CA 1.057 64.077 63.100 -0.132 0.000 0.858 254 P CB 0.273 31.896 31.700 -0.129 0.000 0.789 255 V N -1.179 118.666 119.914 -0.116 0.000 2.760 255 V HA 0.481 4.601 4.120 -0.000 0.000 0.309 255 V C -0.227 175.841 176.094 -0.043 0.000 1.077 255 V CA -0.565 61.666 62.300 -0.115 0.000 0.910 255 V CB 2.071 33.818 31.823 -0.127 0.000 1.008 255 V HN 0.142 nan 8.190 nan 0.000 0.424 256 T N 1.203 115.735 114.554 -0.035 0.000 2.909 256 T HA 0.912 5.262 4.350 -0.000 0.000 0.299 256 T C -0.972 173.776 174.700 0.081 0.000 1.073 256 T CA -0.671 61.440 62.100 0.019 0.000 0.999 256 T CB 2.190 71.057 68.868 -0.003 0.000 1.098 256 T HN 1.038 nan 8.240 nan 0.000 0.477 257 F N -1.239 118.661 119.950 -0.083 0.000 2.631 257 F HA 0.881 5.408 4.527 -0.000 0.000 0.308 257 F C -0.792 175.019 175.800 0.019 0.000 1.097 257 F CA -0.779 57.178 58.000 -0.072 0.000 0.952 257 F CB 1.840 40.740 39.000 -0.167 0.000 1.307 257 F HN 0.865 nan 8.300 nan 0.000 0.450 258 T N 0.026 114.633 114.554 0.089 0.000 2.787 258 T HA 0.614 4.964 4.350 -0.000 0.000 0.297 258 T C -1.576 173.207 174.700 0.138 0.000 1.221 258 T CA -0.459 61.627 62.100 -0.024 0.000 1.006 258 T CB 2.065 70.929 68.868 -0.008 0.000 1.328 258 T HN 0.854 nan 8.240 nan 0.000 0.509 259 T N 1.680 116.277 114.554 0.072 0.000 2.786 259 T HA 0.487 4.837 4.350 -0.000 0.000 0.283 259 T C -0.517 174.218 174.700 0.058 0.000 0.992 259 T CA -0.300 61.859 62.100 0.098 0.000 0.954 259 T CB 0.109 69.031 68.868 0.089 0.000 0.934 259 T HN 0.708 nan 8.240 nan 0.000 0.440 260 c N 3.538 122.178 118.600 0.067 0.000 2.347 260 c HA 0.629 5.199 4.570 -0.000 0.000 0.353 260 c C 1.033 175.141 174.090 0.030 0.000 1.273 260 c CA -0.529 55.818 56.329 0.031 0.000 1.861 260 c CB -0.223 42.301 42.510 0.023 0.000 2.420 260 c HN 0.852 nan 8.230 nan 0.000 0.542 261 S N 2.125 117.833 115.700 0.014 0.000 2.608 261 S HA 0.390 4.860 4.470 -0.000 0.000 0.291 261 S C 0.109 174.713 174.600 0.007 0.000 1.146 261 S CA -0.511 57.697 58.200 0.013 0.000 1.043 261 S CB 0.646 63.852 63.200 0.008 0.000 1.037 261 S HN 0.935 nan 8.310 nan 0.000 0.520 262 N N -0.221 118.484 118.700 0.008 0.000 2.727 262 N HA -0.137 4.603 4.740 -0.000 0.000 0.251 262 N C -0.830 174.684 175.510 0.007 0.000 1.040 262 N CA -0.021 53.032 53.050 0.005 0.000 0.712 262 N CB -1.270 37.218 38.487 0.001 0.000 0.912 262 N HN 0.227 nan 8.380 nan 0.000 0.545 263 V N 0.535 120.457 119.914 0.013 0.000 2.555 263 V HA 0.456 4.576 4.120 -0.000 0.000 0.286 263 V C 1.288 177.393 176.094 0.018 0.000 1.044 263 V CA -0.241 62.072 62.300 0.021 0.000 1.026 263 V CB 1.105 32.951 31.823 0.037 0.000 0.981 263 V HN 0.486 nan 8.190 nan 0.000 0.480 264 A N 4.389 127.221 122.820 0.019 0.000 2.555 264 A HA 0.392 4.712 4.320 -0.000 0.000 0.233 264 A C 1.660 179.258 177.584 0.024 0.000 1.060 264 A CA 0.479 52.527 52.037 0.018 0.000 0.759 264 A CB 0.054 19.065 19.000 0.018 0.000 0.995 264 A HN 1.411 nan 8.150 nan 0.000 0.506 265 A N 1.818 124.648 122.820 0.017 0.000 2.070 265 A HA 0.145 4.465 4.320 -0.000 0.000 0.220 265 A C 2.270 179.872 177.584 0.031 0.000 1.159 265 A CA 2.155 54.202 52.037 0.015 0.000 0.656 265 A CB -0.830 18.175 19.000 0.009 0.000 0.800 265 A HN 1.748 nan 8.150 nan 0.000 0.453 266 A N -0.475 122.368 122.820 0.039 0.000 1.969 266 A HA 0.257 4.577 4.320 -0.000 0.000 0.218 266 A C 2.168 179.809 177.584 0.095 0.000 1.169 266 A CA 1.643 53.713 52.037 0.054 0.000 0.635 266 A CB -0.546 18.479 19.000 0.042 0.000 0.810 266 A HN 1.059 nan 8.150 nan 0.000 0.445 267 A N -1.208 121.674 122.820 0.103 0.000 2.275 267 A HA 0.552 4.872 4.320 -0.000 0.000 0.212 267 A C 0.597 178.335 177.584 0.256 0.000 1.201 267 A CA -0.210 51.931 52.037 0.172 0.000 0.843 267 A CB -0.183 18.889 19.000 0.121 0.000 0.873 267 A HN 0.384 nan 8.150 nan 0.000 0.492 268 L N 1.291 122.582 121.223 0.114 0.000 2.343 268 L HA 0.383 4.723 4.340 -0.000 0.000 0.275 268 L C -2.087 174.611 176.870 -0.288 0.000 1.056 268 L CA -2.424 52.379 54.840 -0.063 0.000 0.804 268 L CB 1.531 43.546 42.059 -0.074 0.000 1.203 268 L HN 0.055 nan 8.230 nan 0.000 0.440 269 P HA 0.175 nan 4.420 nan 0.000 0.272 269 P C -2.660 174.427 177.300 -0.354 0.000 1.240 269 P CA -1.391 61.122 63.100 -0.978 0.000 0.791 269 P CB -0.518 30.554 31.700 -1.046 0.000 0.978 270 P HA 0.105 nan 4.420 nan 0.000 0.268 270 P C 0.943 178.180 177.300 -0.105 0.000 1.204 270 P CA 0.945 63.982 63.100 -0.105 0.000 0.768 270 P CB -0.150 31.522 31.700 -0.047 0.000 0.842 271 G N 1.675 110.430 108.800 -0.075 0.000 2.153 271 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.252 271 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.252 271 G C 0.454 175.311 174.900 -0.071 0.000 0.994 271 G CA 0.022 45.085 45.100 -0.061 0.000 0.698 271 G HN 0.866 nan 8.290 nan 0.000 0.521 272 A N -0.181 122.581 122.820 -0.096 0.000 2.511 272 A HA 0.674 4.994 4.320 -0.000 0.000 0.242 272 A C 1.264 178.815 177.584 -0.056 0.000 1.069 272 A CA 1.251 53.233 52.037 -0.092 0.000 0.763 272 A CB 0.602 19.533 19.000 -0.116 0.000 1.001 272 A HN 1.904 nan 8.150 nan 0.000 0.498 273 A N 2.362 125.156 122.820 -0.043 0.000 2.610 273 A HA 0.527 4.846 4.320 -0.000 0.000 0.286 273 A C 0.399 177.971 177.584 -0.020 0.000 1.306 273 A CA 0.015 52.035 52.037 -0.028 0.000 0.942 273 A CB -0.137 18.849 19.000 -0.023 0.000 1.112 273 A HN 0.744 nan 8.150 nan 0.000 0.527 274 K N -0.547 119.840 120.400 -0.022 0.000 2.600 274 K HA 0.197 4.517 4.320 -0.000 0.000 0.262 274 K C -1.119 175.474 176.600 -0.012 0.000 0.935 274 K CA -0.278 56.002 56.287 -0.012 0.000 0.866 274 K CB 1.172 33.668 32.500 -0.006 0.000 1.354 274 K HN 0.254 nan 8.250 nan 0.000 0.419 275 Q N 2.054 121.852 119.800 -0.004 0.000 2.620 275 Q HA 0.135 4.475 4.340 -0.000 0.000 0.333 275 Q C -0.821 175.186 176.000 0.013 0.000 1.017 275 Q CA 0.072 55.876 55.803 0.001 0.000 0.962 275 Q CB 0.742 29.482 28.738 0.002 0.000 1.297 275 Q HN 0.220 nan 8.270 nan 0.000 0.419 276 Q N 0.936 120.746 119.800 0.017 0.000 2.337 276 Q HA 0.547 4.887 4.340 -0.000 0.000 0.270 276 Q C -1.548 174.485 176.000 0.055 0.000 1.043 276 Q CA -0.472 55.352 55.803 0.035 0.000 0.794 276 Q CB 1.379 30.136 28.738 0.032 0.000 1.281 276 Q HN 0.339 nan 8.270 nan 0.000 0.446 277 L N 1.831 123.105 121.223 0.084 0.000 2.386 277 L HA 0.679 5.019 4.340 -0.000 0.000 0.271 277 L C 0.194 177.158 176.870 0.156 0.000 0.993 277 L CA -1.059 53.859 54.840 0.131 0.000 0.819 277 L CB 2.107 44.264 42.059 0.164 0.000 1.294 277 L HN 0.743 nan 8.230 nan 0.000 0.414 278 G N 1.142 110.051 108.800 0.181 0.000 2.353 278 G HA2 0.325 4.285 3.960 -0.000 0.000 0.284 278 G HA3 0.325 4.285 3.960 -0.000 0.000 0.284 278 G C -1.613 173.443 174.900 0.260 0.000 1.172 278 G CA -0.020 45.204 45.100 0.206 0.000 0.854 278 G HN 0.498 nan 8.290 nan 0.000 0.485 279 Y N 3.076 123.447 120.300 0.117 0.000 2.331 279 Y HA 0.555 5.105 4.550 -0.000 0.000 0.334 279 Y C -0.928 175.022 175.900 0.084 0.000 0.960 279 Y CA -0.924 57.228 58.100 0.087 0.000 1.130 279 Y CB 1.991 40.486 38.460 0.057 0.000 1.164 279 Y HN 0.375 nan 8.280 nan 0.000 0.458 280 V N 7.322 126.933 119.914 -0.505 0.000 2.376 280 V HA 0.437 4.557 4.120 -0.000 0.000 0.287 280 V C -0.659 174.978 176.094 -0.763 0.000 1.015 280 V CA -0.824 61.167 62.300 -0.515 0.000 0.834 280 V CB 1.213 32.759 31.823 -0.461 0.000 1.001 280 V HN 0.656 nan 8.190 nan 0.000 0.428 281 R N 4.898 124.986 120.500 -0.687 0.000 2.207 281 R HA 0.541 4.881 4.340 -0.000 0.000 0.334 281 R C -1.221 174.904 176.300 -0.291 0.000 1.013 281 R CA -0.136 55.676 56.100 -0.481 0.000 0.858 281 R CB 0.716 30.879 30.300 -0.228 0.000 1.094 281 R HN 0.736 nan 8.270 nan 0.000 0.457 282 L N 4.708 125.766 121.223 -0.274 0.000 2.337 282 L HA 0.466 4.806 4.340 -0.000 0.000 0.269 282 L C 0.341 177.026 176.870 -0.308 0.000 1.018 282 L CA -0.255 54.395 54.840 -0.317 0.000 0.876 282 L CB 1.469 43.322 42.059 -0.344 0.000 1.236 282 L HN 0.991 nan 8.230 nan 0.000 0.436 283 A N 2.475 125.146 122.820 -0.247 0.000 2.021 283 A HA 0.135 4.455 4.320 -0.000 0.000 0.216 283 A C 0.880 178.353 177.584 -0.186 0.000 1.163 283 A CA 0.908 52.843 52.037 -0.171 0.000 0.676 283 A CB 0.175 19.111 19.000 -0.106 0.000 0.818 283 A HN 0.544 nan 8.150 nan 0.000 0.453 284 T N -1.930 112.456 114.554 -0.279 0.000 2.889 284 T HA 0.543 4.893 4.350 -0.000 0.000 0.315 284 T C -1.987 172.484 174.700 -0.380 0.000 1.291 284 T CA -0.548 61.419 62.100 -0.221 0.000 1.028 284 T CB 0.665 69.472 68.868 -0.102 0.000 1.235 284 T HN 0.063 nan 8.240 nan 0.000 0.491 285 F N 5.020 124.948 119.950 -0.037 0.000 2.334 285 F HA 0.489 5.016 4.527 -0.000 0.000 0.367 285 F C 1.036 176.818 175.800 -0.030 0.000 1.115 285 F CA -0.500 57.475 58.000 -0.042 0.000 1.116 285 F CB 0.832 39.800 39.000 -0.052 0.000 1.230 285 F HN 0.676 nan 8.300 nan 0.000 0.484 286 N N -0.872 117.885 118.700 0.095 0.000 3.316 286 N HA 0.219 4.959 4.740 -0.000 0.000 0.300 286 N C 0.393 175.929 175.510 0.043 0.000 1.567 286 N CA -0.546 52.539 53.050 0.059 0.000 0.821 286 N CB 1.110 39.610 38.487 0.023 0.000 1.748 286 N HN 0.265 nan 8.380 nan 0.000 0.603 287 S N -0.439 115.278 115.700 0.027 0.000 2.419 287 S HA -0.121 4.349 4.470 -0.000 0.000 0.233 287 S C 0.914 175.519 174.600 0.009 0.000 1.016 287 S CA 0.970 59.182 58.200 0.020 0.000 0.974 287 S CB -0.608 62.601 63.200 0.016 0.000 0.786 287 S HN 0.524 nan 8.310 nan 0.000 0.492 288 N N 0.990 119.689 118.700 -0.002 0.000 2.392 288 N HA 0.108 4.848 4.740 -0.000 0.000 0.177 288 N C 1.408 176.903 175.510 -0.025 0.000 1.066 288 N CA 1.031 54.073 53.050 -0.013 0.000 0.895 288 N CB -0.630 37.845 38.487 -0.021 0.000 0.988 288 N HN 0.481 nan 8.380 nan 0.000 0.457 289 T N 0.384 114.922 114.554 -0.027 0.000 2.635 289 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 289 T C 1.881 176.564 174.700 -0.028 0.000 1.040 289 T CA 1.851 63.919 62.100 -0.053 0.000 1.156 289 T CB -0.590 68.244 68.868 -0.057 0.000 0.863 289 T HN 0.246 nan 8.240 nan 0.000 0.430 290 T N 1.978 116.538 114.554 0.009 0.000 2.652 290 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 290 T C 2.396 177.093 174.700 -0.005 0.000 1.039 290 T CA 1.427 63.536 62.100 0.015 0.000 1.153 290 T CB -0.706 68.171 68.868 0.015 0.000 0.863 290 T HN 0.466 nan 8.240 nan 0.000 0.428 291 A N 1.326 124.139 122.820 -0.012 0.000 1.902 291 A HA 0.112 4.432 4.320 -0.000 0.000 0.217 291 A C 2.631 180.191 177.584 -0.039 0.000 1.181 291 A CA 1.997 54.023 52.037 -0.018 0.000 0.623 291 A CB -1.118 17.874 19.000 -0.012 0.000 0.818 291 A HN 0.528 nan 8.150 nan 0.000 0.443 292 A N -0.299 122.490 122.820 -0.051 0.000 1.898 292 A HA 0.208 4.528 4.320 -0.000 0.000 0.216 292 A C 2.493 179.987 177.584 -0.151 0.000 1.181 292 A CA 1.977 53.970 52.037 -0.073 0.000 0.620 292 A CB -0.955 18.006 19.000 -0.064 0.000 0.819 292 A HN 1.038 nan 8.150 nan 0.000 0.442 293 A N -0.602 122.129 122.820 -0.148 0.000 1.930 293 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 293 A C 2.214 179.701 177.584 -0.162 0.000 1.175 293 A CA 1.742 53.642 52.037 -0.228 0.000 0.627 293 A CB -0.568 18.386 19.000 -0.077 0.000 0.815 293 A HN 0.687 nan 8.150 nan 0.000 0.443 294 Q N -0.957 118.820 119.800 -0.038 0.000 2.119 294 Q HA -0.233 4.107 4.340 -0.000 0.000 0.201 294 Q C 2.248 178.204 176.000 -0.074 0.000 0.972 294 Q CA 1.595 57.406 55.803 0.013 0.000 0.847 294 Q CB -0.219 28.525 28.738 0.010 0.000 0.903 294 Q HN 0.713 nan 8.270 nan 0.000 0.433 295 Q N -0.143 119.575 119.800 -0.137 0.000 2.079 295 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 295 Q C 1.946 177.703 176.000 -0.404 0.000 0.974 295 Q CA 1.450 57.150 55.803 -0.172 0.000 0.840 295 Q CB -0.164 28.515 28.738 -0.099 0.000 0.898 295 Q HN 0.510 nan 8.270 nan 0.000 0.430 296 A N -0.030 122.365 122.820 -0.707 0.000 1.883 296 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 296 A C 1.901 178.962 177.584 -0.871 0.000 1.186 296 A CA 1.311 52.499 52.037 -1.416 0.000 0.624 296 A CB -1.018 17.188 19.000 -1.324 0.000 0.822 296 A HN 0.438 nan 8.150 nan 0.000 0.444 297 F N 0.007 119.731 119.950 -0.376 0.000 2.259 297 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 297 F C 2.757 178.456 175.800 -0.168 0.000 1.088 297 F CA 1.269 59.138 58.000 -0.218 0.000 1.358 297 F CB -0.368 38.545 39.000 -0.145 0.000 1.040 297 F HN 0.137 nan 8.300 nan 0.000 0.505 298 T N -0.691 113.862 114.554 -0.003 0.000 2.708 298 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 298 T C 1.824 176.507 174.700 -0.029 0.000 1.037 298 T CA 1.303 63.395 62.100 -0.014 0.000 1.146 298 T CB -0.178 68.672 68.868 -0.029 0.000 0.865 298 T HN 0.051 nan 8.240 nan 0.000 0.435 299 E N 1.093 121.237 120.200 -0.093 0.000 2.051 299 E HA -0.002 4.348 4.350 -0.000 0.000 0.192 299 E C 2.268 178.885 176.600 0.027 0.000 0.991 299 E CA 0.860 57.247 56.400 -0.021 0.000 0.799 299 E CB -0.535 29.168 29.700 0.005 0.000 0.748 299 E HN 0.454 nan 8.360 nan 0.000 0.449 300 L N 0.178 121.395 121.223 -0.010 0.000 2.141 300 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 300 L C 2.580 179.491 176.870 0.069 0.000 1.094 300 L CA 1.017 55.897 54.840 0.066 0.000 0.763 300 L CB -0.430 41.673 42.059 0.074 0.000 0.908 300 L HN 0.076 nan 8.230 nan 0.000 0.437 301 S N -0.028 115.705 115.700 0.056 0.000 2.368 301 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 301 S C 2.028 176.648 174.600 0.035 0.000 1.029 301 S CA 1.194 59.422 58.200 0.046 0.000 0.988 301 S CB 0.021 63.242 63.200 0.035 0.000 0.838 301 S HN 0.316 nan 8.310 nan 0.000 0.462 302 K N 0.517 120.936 120.400 0.033 0.000 2.057 302 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 302 K C 2.194 178.815 176.600 0.035 0.000 1.049 302 K CA 1.456 57.761 56.287 0.030 0.000 0.931 302 K CB -0.245 32.272 32.500 0.029 0.000 0.714 302 K HN 0.556 nan 8.250 nan 0.000 0.440 303 Q N -0.291 119.538 119.800 0.048 0.000 2.472 303 Q HA 0.017 4.357 4.340 -0.000 0.000 0.208 303 Q C 0.619 176.644 176.000 0.041 0.000 0.958 303 Q CA 0.441 56.274 55.803 0.049 0.000 0.932 303 Q CB 0.272 29.050 28.738 0.068 0.000 1.007 303 Q HN 0.476 nan 8.270 nan 0.000 0.508 304 G N 1.909 110.731 108.800 0.038 0.000 2.338 304 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.296 304 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.296 304 G C 0.333 175.253 174.900 0.032 0.000 1.040 304 G CA 0.269 45.386 45.100 0.029 0.000 1.004 304 G HN 0.360 nan 8.290 nan 0.000 0.509 305 V N -2.756 117.187 119.914 0.048 0.000 2.999 305 V HA 0.631 4.751 4.120 -0.000 0.000 0.307 305 V C 1.692 177.806 176.094 0.033 0.000 1.084 305 V CA 0.781 63.112 62.300 0.052 0.000 1.155 305 V CB 0.786 32.660 31.823 0.084 0.000 0.975 305 V HN 1.457 nan 8.190 nan 0.000 0.490 306 A N 2.874 125.704 122.820 0.016 0.000 1.969 306 A HA 0.469 4.788 4.320 -0.000 0.000 0.218 306 A C 1.301 178.858 177.584 -0.046 0.000 1.169 306 A CA 1.308 53.329 52.037 -0.027 0.000 0.635 306 A CB -0.741 18.227 19.000 -0.055 0.000 0.810 306 A HN 1.847 nan 8.150 nan 0.000 0.445 307 G N -2.135 106.677 108.800 0.020 0.000 2.677 307 G HA2 0.534 4.494 3.960 -0.000 0.000 0.291 307 G HA3 0.534 4.494 3.960 -0.000 0.000 0.291 307 G C -1.457 173.568 174.900 0.208 0.000 1.435 307 G CA -0.692 44.470 45.100 0.102 0.000 0.826 307 G HN 0.182 nan 8.290 nan 0.000 0.491 308 L N 0.106 121.492 121.223 0.271 0.000 2.346 308 L HA 0.689 5.029 4.340 -0.000 0.000 0.274 308 L C -0.579 176.443 176.870 0.254 0.000 1.007 308 L CA -1.178 53.812 54.840 0.249 0.000 0.818 308 L CB 2.454 44.651 42.059 0.231 0.000 1.284 308 L HN 0.254 nan 8.230 nan 0.000 0.424 309 V N 3.975 124.022 119.914 0.222 0.000 2.349 309 V HA 0.310 4.430 4.120 -0.000 0.000 0.284 309 V C -0.578 175.569 176.094 0.087 0.000 1.014 309 V CA -0.434 61.972 62.300 0.176 0.000 0.826 309 V CB 1.783 33.774 31.823 0.280 0.000 1.009 309 V HN 0.408 nan 8.190 nan 0.000 0.431 310 L N 4.430 125.685 121.223 0.053 0.000 2.262 310 L HA 0.636 4.975 4.340 -0.000 0.000 0.288 310 L C -0.383 176.466 176.870 -0.034 0.000 1.035 310 L CA 0.199 55.039 54.840 0.000 0.000 0.820 310 L CB 1.194 43.317 42.059 0.107 0.000 1.204 310 L HN 0.600 nan 8.230 nan 0.000 0.424 311 D N 5.276 125.593 120.400 -0.139 0.000 2.443 311 D HA 0.241 4.881 4.640 -0.000 0.000 0.221 311 D C 0.541 176.797 176.300 -0.073 0.000 1.097 311 D CA -0.188 53.771 54.000 -0.068 0.000 0.865 311 D CB 0.614 41.407 40.800 -0.012 0.000 1.034 311 D HN 0.600 nan 8.370 nan 0.000 0.511 312 I N 0.312 120.874 120.570 -0.014 0.000 3.856 312 I HA 0.387 4.557 4.170 -0.000 0.000 0.330 312 I C 0.326 176.459 176.117 0.027 0.000 1.546 312 I CA -0.768 60.533 61.300 0.003 0.000 1.132 312 I CB 0.133 38.173 38.000 0.067 0.000 1.157 312 I HN -0.127 nan 8.210 nan 0.000 0.440 313 R N 1.621 122.136 120.500 0.025 0.000 2.734 313 R HA 0.113 4.453 4.340 -0.000 0.000 0.266 313 R C 0.237 176.553 176.300 0.026 0.000 1.044 313 R CA -0.011 56.109 56.100 0.034 0.000 1.128 313 R CB -0.018 30.305 30.300 0.038 0.000 1.010 313 R HN 0.281 nan 8.270 nan 0.000 0.461 314 N N 0.714 119.434 118.700 0.032 0.000 2.710 314 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 314 N C -1.268 174.248 175.510 0.009 0.000 1.059 314 N CA 1.016 54.078 53.050 0.020 0.000 0.720 314 N CB -0.995 37.499 38.487 0.012 0.000 0.983 314 N HN 0.503 nan 8.380 nan 0.000 0.544 315 N N -0.513 118.203 118.700 0.027 0.000 2.524 315 N HA 0.443 5.183 4.740 -0.000 0.000 0.261 315 N C 1.062 176.617 175.510 0.074 0.000 0.998 315 N CA 0.110 53.182 53.050 0.036 0.000 0.915 315 N CB 0.854 39.354 38.487 0.022 0.000 1.187 315 N HN 0.172 nan 8.380 nan 0.000 0.507 316 G N 1.372 110.199 108.800 0.046 0.000 2.625 316 G HA2 0.237 4.197 3.960 -0.000 0.000 0.214 316 G HA3 0.237 4.197 3.960 -0.000 0.000 0.214 316 G C 0.957 175.892 174.900 0.058 0.000 1.132 316 G CA 0.711 45.824 45.100 0.021 0.000 0.782 316 G HN 1.006 nan 8.290 nan 0.000 0.538 317 G N -0.876 108.019 108.800 0.158 0.000 3.597 317 G HA2 0.262 4.221 3.960 -0.000 0.000 0.256 317 G HA3 0.262 4.221 3.960 -0.000 0.000 0.256 317 G C 1.263 176.290 174.900 0.212 0.000 1.792 317 G CA 0.966 46.171 45.100 0.175 0.000 1.219 317 G HN 2.111 nan 8.290 nan 0.000 0.577 318 G N 0.012 108.877 108.800 0.107 0.000 2.603 318 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.245 318 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.245 318 G C 0.363 175.325 174.900 0.102 0.000 1.195 318 G CA 0.309 45.476 45.100 0.112 0.000 0.953 318 G HN 1.681 nan 8.290 nan 0.000 0.566 319 L N 2.241 123.541 121.223 0.127 0.000 2.565 319 L HA 0.288 4.628 4.340 -0.000 0.000 0.275 319 L C 1.869 178.740 176.870 0.001 0.000 1.137 319 L CA 0.186 55.079 54.840 0.089 0.000 0.915 319 L CB 0.032 42.148 42.059 0.095 0.000 1.232 319 L HN 0.619 nan 8.230 nan 0.000 0.473 320 F N 7.987 127.864 119.950 -0.122 0.000 2.095 320 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 320 F C -0.733 174.902 175.800 -0.274 0.000 1.104 320 F CA 1.241 59.100 58.000 -0.235 0.000 1.232 320 F CB -1.131 37.786 39.000 -0.139 0.000 0.987 320 F HN 0.470 nan 8.300 nan 0.000 0.475 321 P HA -0.103 nan 4.420 nan 0.000 0.220 321 P C 1.406 178.496 177.300 -0.349 0.000 1.148 321 P CA 2.040 64.868 63.100 -0.454 0.000 0.803 321 P CB -0.484 31.139 31.700 -0.129 0.000 0.782 322 A N 0.054 122.750 122.820 -0.207 0.000 1.968 322 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 322 A C 2.482 179.991 177.584 -0.123 0.000 1.169 322 A CA 1.688 53.700 52.037 -0.043 0.000 0.638 322 A CB -1.719 17.381 19.000 0.166 0.000 0.812 322 A HN 0.277 nan 8.150 nan 0.000 0.446 323 G N -0.496 107.974 108.800 -0.550 0.000 2.402 323 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.216 323 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.216 323 G C 1.483 176.065 174.900 -0.530 0.000 1.162 323 G CA 1.174 45.789 45.100 -0.808 0.000 0.777 323 G HN 0.281 nan 8.290 nan 0.000 0.539 324 V N 1.639 121.145 119.914 -0.681 0.000 2.295 324 V HA -0.198 3.921 4.120 -0.000 0.000 0.246 324 V C 2.696 178.626 176.094 -0.274 0.000 1.049 324 V CA 1.905 63.876 62.300 -0.547 0.000 1.024 324 V CB -0.540 30.827 31.823 -0.761 0.000 0.648 324 V HN 0.294 nan 8.190 nan 0.000 0.447 325 N N 0.398 118.969 118.700 -0.215 0.000 2.061 325 N HA -0.162 4.578 4.740 -0.000 0.000 0.193 325 N C 1.761 177.241 175.510 -0.051 0.000 1.030 325 N CA 1.588 54.581 53.050 -0.095 0.000 0.856 325 N CB -0.814 37.640 38.487 -0.055 0.000 1.023 325 N HN 0.360 nan 8.380 nan 0.000 0.424 326 V N 1.423 121.328 119.914 -0.015 0.000 2.287 326 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 326 V C 2.409 178.483 176.094 -0.034 0.000 1.053 326 V CA 1.892 64.226 62.300 0.057 0.000 1.027 326 V CB -1.089 30.864 31.823 0.216 0.000 0.646 326 V HN 0.346 nan 8.190 nan 0.000 0.447 327 A N -0.232 122.535 122.820 -0.087 0.000 1.940 327 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 327 A C 2.356 179.876 177.584 -0.106 0.000 1.176 327 A CA 1.929 53.902 52.037 -0.107 0.000 0.631 327 A CB -0.545 18.377 19.000 -0.129 0.000 0.814 327 A HN 0.510 nan 8.150 nan 0.000 0.446 328 R N -1.070 119.373 120.500 -0.094 0.000 2.152 328 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 328 R C 2.049 178.295 176.300 -0.089 0.000 1.117 328 R CA 1.562 57.617 56.100 -0.076 0.000 0.981 328 R CB -0.340 29.925 30.300 -0.057 0.000 0.870 328 R HN 0.581 nan 8.270 nan 0.000 0.451 329 M N -0.167 119.367 119.600 -0.110 0.000 2.374 329 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 329 M C 1.389 177.539 176.300 -0.249 0.000 1.067 329 M CA 1.383 56.593 55.300 -0.150 0.000 1.103 329 M CB 0.191 32.706 32.600 -0.143 0.000 1.402 329 M HN 0.148 nan 8.290 nan 0.000 0.444 330 L N -1.789 119.284 121.223 -0.250 0.000 2.642 330 L HA 0.223 4.563 4.340 -0.000 0.000 0.233 330 L C 0.142 176.921 176.870 -0.153 0.000 1.077 330 L CA -0.292 54.391 54.840 -0.261 0.000 0.879 330 L CB 0.711 42.583 42.059 -0.312 0.000 1.151 330 L HN -0.125 nan 8.230 nan 0.000 0.495 331 V N 0.019 119.864 119.914 -0.115 0.000 2.513 331 V HA 0.223 4.342 4.120 -0.000 0.000 0.299 331 V C 0.090 176.147 176.094 -0.060 0.000 1.035 331 V CA -0.525 61.729 62.300 -0.076 0.000 0.889 331 V CB 2.061 33.846 31.823 -0.064 0.000 0.988 331 V HN 0.081 nan 8.190 nan 0.000 0.440 332 D N 2.278 122.650 120.400 -0.047 0.000 2.201 332 D HA 0.109 4.748 4.640 -0.000 0.000 0.209 332 D C 0.599 176.883 176.300 -0.027 0.000 0.961 332 D CA 0.693 54.671 54.000 -0.037 0.000 0.861 332 D CB 0.581 41.362 40.800 -0.031 0.000 0.997 332 D HN 0.298 nan 8.370 nan 0.000 0.486 333 R N -0.327 120.159 120.500 -0.024 0.000 2.771 333 R HA 0.597 4.936 4.340 -0.000 0.000 0.274 333 R C 0.242 176.533 176.300 -0.014 0.000 0.987 333 R CA -0.407 55.682 56.100 -0.017 0.000 0.908 333 R CB 2.061 32.352 30.300 -0.015 0.000 1.213 333 R HN 0.192 nan 8.270 nan 0.000 0.468 334 G N 1.476 110.271 108.800 -0.008 0.000 2.603 334 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 334 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 334 G C -1.464 173.439 174.900 0.005 0.000 1.286 334 G CA -0.927 44.170 45.100 -0.004 0.000 0.871 334 G HN 0.448 nan 8.290 nan 0.000 0.568 335 D N 0.157 120.563 120.400 0.010 0.000 2.350 335 D HA 0.473 5.113 4.640 -0.000 0.000 0.249 335 D C 1.516 177.834 176.300 0.029 0.000 1.119 335 D CA -0.075 53.941 54.000 0.026 0.000 0.886 335 D CB 1.408 42.223 40.800 0.025 0.000 1.195 335 D HN 0.388 nan 8.370 nan 0.000 0.437 336 L N 1.255 122.511 121.223 0.056 0.000 2.467 336 L HA 0.257 4.597 4.340 -0.000 0.000 0.213 336 L C 0.574 177.477 176.870 0.055 0.000 1.053 336 L CA 0.086 54.947 54.840 0.034 0.000 0.847 336 L CB 0.473 42.538 42.059 0.010 0.000 1.075 336 L HN 0.176 nan 8.230 nan 0.000 0.479 337 V N 1.037 121.033 119.914 0.136 0.000 2.924 337 V HA 0.421 4.541 4.120 -0.000 0.000 0.300 337 V C -1.592 174.642 176.094 0.234 0.000 1.227 337 V CA -0.625 61.779 62.300 0.172 0.000 0.954 337 V CB 2.366 34.291 31.823 0.169 0.000 1.055 337 V HN 0.014 nan 8.190 nan 0.000 0.429 338 L N 6.073 127.398 121.223 0.168 0.000 2.334 338 L HA 0.670 5.010 4.340 -0.000 0.000 0.275 338 L C -0.830 176.122 176.870 0.136 0.000 1.036 338 L CA -0.915 54.002 54.840 0.128 0.000 0.807 338 L CB 1.754 43.848 42.059 0.058 0.000 1.231 338 L HN 0.404 nan 8.230 nan 0.000 0.438 339 I N 2.106 122.723 120.570 0.079 0.000 2.355 339 I HA 0.616 4.786 4.170 -0.000 0.000 0.288 339 I C 0.264 176.344 176.117 -0.061 0.000 0.999 339 I CA -0.299 60.997 61.300 -0.007 0.000 1.163 339 I CB 1.077 39.069 38.000 -0.012 0.000 1.316 339 I HN 0.693 nan 8.210 nan 0.000 0.454 340 A N 5.653 128.412 122.820 -0.102 0.000 2.430 340 A HA 0.960 5.279 4.320 -0.000 0.000 0.300 340 A C -0.926 176.564 177.584 -0.158 0.000 1.124 340 A CA -0.336 51.636 52.037 -0.109 0.000 0.766 340 A CB 2.286 21.237 19.000 -0.081 0.000 1.328 340 A HN 0.715 nan 8.150 nan 0.000 0.424 341 D N -1.928 118.381 120.400 -0.153 0.000 2.946 341 D HA 0.258 4.898 4.640 -0.000 0.000 0.337 341 D C 0.841 177.039 176.300 -0.170 0.000 1.332 341 D CA 0.433 54.316 54.000 -0.195 0.000 0.935 341 D CB -0.118 40.552 40.800 -0.217 0.000 1.440 341 D HN 0.590 nan 8.370 nan 0.000 0.540 342 S N -1.218 114.362 115.700 -0.201 0.000 2.442 342 S HA -0.264 4.206 4.470 -0.000 0.000 0.236 342 S C 1.594 176.121 174.600 -0.121 0.000 1.007 342 S CA 1.777 59.877 58.200 -0.166 0.000 0.965 342 S CB -0.506 62.575 63.200 -0.200 0.000 0.773 342 S HN 0.587 nan 8.310 nan 0.000 0.504 343 Q N 1.417 121.146 119.800 -0.117 0.000 2.331 343 Q HA 0.352 4.692 4.340 -0.000 0.000 0.203 343 Q C 0.959 176.917 176.000 -0.070 0.000 0.944 343 Q CA 0.715 56.467 55.803 -0.085 0.000 0.892 343 Q CB -0.032 28.657 28.738 -0.082 0.000 0.983 343 Q HN 0.737 nan 8.270 nan 0.000 0.482 344 G N -0.021 108.733 108.800 -0.078 0.000 2.250 344 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.252 344 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.252 344 G C -1.227 173.634 174.900 -0.066 0.000 1.325 344 G CA -0.543 44.520 45.100 -0.063 0.000 1.091 344 G HN 0.151 nan 8.290 nan 0.000 0.476 345 I N 1.862 122.401 120.570 -0.052 0.000 2.416 345 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 345 I C 1.479 177.564 176.117 -0.053 0.000 1.051 345 I CA -0.595 60.677 61.300 -0.047 0.000 1.375 345 I CB 1.265 39.245 38.000 -0.033 0.000 1.407 345 I HN 0.427 nan 8.210 nan 0.000 0.516 346 R N 2.734 123.198 120.500 -0.061 0.000 2.250 346 R HA 0.310 4.650 4.340 -0.000 0.000 0.194 346 R C -0.133 176.128 176.300 -0.065 0.000 0.927 346 R CA 0.189 56.250 56.100 -0.065 0.000 1.052 346 R CB -0.164 30.089 30.300 -0.079 0.000 1.055 346 R HN 0.576 nan 8.270 nan 0.000 0.537 347 D N -0.762 119.603 120.400 -0.059 0.000 2.622 347 D HA 0.442 5.082 4.640 -0.000 0.000 0.255 347 D C -1.414 174.847 176.300 -0.066 0.000 1.246 347 D CA -0.548 53.400 54.000 -0.087 0.000 0.795 347 D CB 2.225 42.970 40.800 -0.093 0.000 1.369 347 D HN -0.108 nan 8.370 nan 0.000 0.425 348 I N 1.330 121.800 120.570 -0.166 0.000 2.752 348 I HA 0.449 4.619 4.170 -0.000 0.000 0.295 348 I C -1.766 174.177 176.117 -0.289 0.000 1.219 348 I CA -0.654 60.594 61.300 -0.087 0.000 1.030 348 I CB 1.681 39.656 38.000 -0.042 0.000 1.259 348 I HN 0.296 nan 8.210 nan 0.000 0.423 349 Y N 4.761 125.102 120.300 0.068 0.000 2.350 349 Y HA 0.594 5.144 4.550 -0.000 0.000 0.338 349 Y C -0.027 175.884 175.900 0.017 0.000 0.961 349 Y CA -0.398 57.735 58.100 0.055 0.000 1.100 349 Y CB 2.239 40.752 38.460 0.088 0.000 1.179 349 Y HN 0.402 nan 8.280 nan 0.000 0.454 350 S N 1.066 116.839 115.700 0.121 0.000 2.671 350 S HA 0.826 5.296 4.470 -0.000 0.000 0.299 350 S C -0.548 174.076 174.600 0.040 0.000 1.116 350 S CA -1.023 57.213 58.200 0.060 0.000 0.912 350 S CB 1.613 64.825 63.200 0.020 0.000 1.130 350 S HN 0.757 nan 8.310 nan 0.000 0.501 351 A N 1.403 124.231 122.820 0.012 0.000 2.477 351 A HA 0.360 4.680 4.320 -0.000 0.000 0.246 351 A C 0.492 178.073 177.584 -0.004 0.000 1.078 351 A CA -0.213 51.822 52.037 -0.005 0.000 0.770 351 A CB -0.165 18.824 19.000 -0.019 0.000 1.011 351 A HN 0.847 nan 8.150 nan 0.000 0.494 352 D N 0.947 121.343 120.400 -0.007 0.000 2.402 352 D HA 0.279 4.919 4.640 -0.000 0.000 0.216 352 D C 0.886 177.179 176.300 -0.012 0.000 1.128 352 D CA 0.527 54.523 54.000 -0.006 0.000 0.833 352 D CB -0.368 40.432 40.800 -0.000 0.000 0.971 352 D HN 1.375 nan 8.370 nan 0.000 0.503 353 G N 0.963 109.753 108.800 -0.017 0.000 2.198 353 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.257 353 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.257 353 G C 0.293 175.181 174.900 -0.020 0.000 1.042 353 G CA -0.037 45.051 45.100 -0.019 0.000 0.791 353 G HN 0.370 nan 8.290 nan 0.000 0.502 354 N N 0.444 119.129 118.700 -0.024 0.000 2.338 354 N HA 0.194 4.934 4.740 -0.000 0.000 0.251 354 N C 1.113 176.602 175.510 -0.034 0.000 1.199 354 N CA 0.584 53.620 53.050 -0.024 0.000 0.879 354 N CB 0.695 39.170 38.487 -0.019 0.000 1.159 354 N HN 0.753 nan 8.380 nan 0.000 0.514 355 S N -0.565 115.109 115.700 -0.044 0.000 2.572 355 S HA 0.198 4.668 4.470 -0.000 0.000 0.267 355 S C 1.381 175.947 174.600 -0.057 0.000 1.361 355 S CA -0.121 58.041 58.200 -0.063 0.000 1.009 355 S CB 1.044 64.200 63.200 -0.073 0.000 0.888 355 S HN 0.157 nan 8.310 nan 0.000 0.553 356 I N -0.434 120.088 120.570 -0.080 0.000 3.565 356 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 356 I C -0.011 176.065 176.117 -0.068 0.000 1.193 356 I CA 0.341 61.607 61.300 -0.056 0.000 1.402 356 I CB 0.322 38.305 38.000 -0.028 0.000 1.284 356 I HN 0.601 nan 8.210 nan 0.000 0.454 357 D N 0.086 120.408 120.400 -0.130 0.000 2.319 357 D HA 0.178 4.818 4.640 -0.000 0.000 0.237 357 D C 0.058 176.274 176.300 -0.139 0.000 1.353 357 D CA 0.028 53.957 54.000 -0.119 0.000 0.992 357 D CB 1.203 41.941 40.800 -0.104 0.000 1.368 357 D HN 0.040 nan 8.370 nan 0.000 0.564 358 S N 0.986 116.632 115.700 -0.091 0.000 2.540 358 S HA 0.360 4.830 4.470 -0.000 0.000 0.218 358 S C 1.340 175.909 174.600 -0.052 0.000 0.977 358 S CA 0.245 58.398 58.200 -0.080 0.000 0.918 358 S CB 1.056 64.219 63.200 -0.063 0.000 0.806 358 S HN 0.334 nan 8.310 nan 0.000 0.496 359 A N 1.761 124.556 122.820 -0.041 0.000 1.963 359 A HA 0.351 4.671 4.320 -0.000 0.000 0.207 359 A C 1.136 178.712 177.584 -0.013 0.000 1.243 359 A CA 0.301 52.323 52.037 -0.024 0.000 0.728 359 A CB -0.752 18.236 19.000 -0.020 0.000 0.895 359 A HN 0.390 nan 8.150 nan 0.000 0.467 360 T N 3.564 118.113 114.554 -0.009 0.000 2.908 360 T HA 0.310 4.660 4.350 -0.000 0.000 0.301 360 T C -2.530 172.191 174.700 0.035 0.000 1.019 360 T CA -0.391 61.716 62.100 0.011 0.000 1.152 360 T CB 0.259 69.146 68.868 0.031 0.000 0.966 360 T HN 0.127 nan 8.240 nan 0.000 0.540 361 P HA 0.195 nan 4.420 nan 0.000 0.262 361 P C -0.771 176.689 177.300 0.267 0.000 1.182 361 P CA -0.325 62.837 63.100 0.103 0.000 0.761 361 P CB 0.325 31.988 31.700 -0.063 0.000 0.795 362 L N 5.184 126.589 121.223 0.303 0.000 2.386 362 L HA 0.701 5.041 4.340 -0.000 0.000 0.271 362 L C -1.373 175.574 176.870 0.128 0.000 0.993 362 L CA -0.790 54.188 54.840 0.230 0.000 0.819 362 L CB 2.368 44.477 42.059 0.084 0.000 1.294 362 L HN 0.156 nan 8.230 nan 0.000 0.414 363 V N 5.760 125.645 119.914 -0.047 0.000 2.604 363 V HA 0.730 4.850 4.120 -0.000 0.000 0.305 363 V C -1.190 174.843 176.094 -0.102 0.000 1.043 363 V CA -0.412 61.727 62.300 -0.269 0.000 0.888 363 V CB 2.274 33.643 31.823 -0.757 0.000 0.995 363 V HN 0.608 nan 8.190 nan 0.000 0.429 364 V N 7.617 127.484 119.914 -0.078 0.000 2.417 364 V HA 0.497 4.617 4.120 -0.000 0.000 0.291 364 V C -0.167 175.913 176.094 -0.024 0.000 1.024 364 V CA -0.620 61.665 62.300 -0.024 0.000 0.861 364 V CB 1.495 33.315 31.823 -0.005 0.000 0.985 364 V HN 0.724 nan 8.190 nan 0.000 0.436 365 L N 6.264 127.488 121.223 0.001 0.000 2.275 365 L HA 0.825 5.165 4.340 -0.000 0.000 0.288 365 L C -0.120 176.763 176.870 0.022 0.000 1.046 365 L CA -0.602 54.245 54.840 0.012 0.000 0.805 365 L CB 1.383 43.469 42.059 0.043 0.000 1.193 365 L HN 0.613 nan 8.230 nan 0.000 0.426 366 V N 0.447 120.373 119.914 0.019 0.000 3.130 366 V HA 0.785 4.905 4.120 -0.000 0.000 0.310 366 V C -1.088 175.024 176.094 0.031 0.000 1.158 366 V CA -0.507 61.811 62.300 0.030 0.000 1.029 366 V CB 2.247 34.088 31.823 0.029 0.000 1.057 366 V HN 0.963 nan 8.190 nan 0.000 0.436 367 N N 1.189 119.915 118.700 0.044 0.000 3.439 367 N HA 0.343 5.083 4.740 -0.000 0.000 0.313 367 N C 0.605 176.157 175.510 0.069 0.000 1.598 367 N CA -0.370 52.707 53.050 0.045 0.000 0.830 367 N CB 0.988 39.500 38.487 0.041 0.000 1.849 367 N HN 0.837 nan 8.380 nan 0.000 0.598 368 R N -1.234 119.312 120.500 0.076 0.000 2.285 368 R HA 0.134 4.474 4.340 -0.000 0.000 0.213 368 R C 1.073 177.495 176.300 0.203 0.000 1.068 368 R CA 1.371 57.547 56.100 0.126 0.000 1.004 368 R CB -0.706 29.655 30.300 0.101 0.000 0.873 368 R HN 0.557 nan 8.270 nan 0.000 0.467 369 G N 0.555 109.429 108.800 0.123 0.000 2.985 369 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.209 369 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.209 369 G C -0.169 174.776 174.900 0.075 0.000 1.165 369 G CA -0.163 44.990 45.100 0.088 0.000 0.776 369 G HN 0.218 nan 8.290 nan 0.000 0.541 370 T N 1.480 116.093 114.554 0.099 0.000 2.729 370 T HA 0.620 4.970 4.350 -0.000 0.000 0.296 370 T C 0.064 174.830 174.700 0.109 0.000 0.928 370 T CA 0.168 62.322 62.100 0.091 0.000 1.045 370 T CB 1.454 70.370 68.868 0.081 0.000 0.902 370 T HN 0.358 nan 8.240 nan 0.000 0.500 371 A N 2.785 125.651 122.820 0.078 0.000 2.566 371 A HA 0.886 5.206 4.320 -0.000 0.000 0.292 371 A C 0.557 178.159 177.584 0.029 0.000 1.112 371 A CA -0.268 51.809 52.037 0.066 0.000 0.707 371 A CB 1.349 20.343 19.000 -0.008 0.000 1.302 371 A HN 0.825 nan 8.150 nan 0.000 0.409 372 S N -1.008 114.706 115.700 0.024 0.000 4.112 372 S HA -0.317 4.153 4.470 -0.000 0.000 0.602 372 S C 1.882 176.400 174.600 -0.137 0.000 1.939 372 S CA 2.383 60.581 58.200 -0.002 0.000 4.230 372 S CB -1.712 61.498 63.200 0.017 0.000 0.245 372 S HN 2.548 nan 8.310 nan 0.000 0.530 373 A N 0.327 123.042 122.820 -0.175 0.000 1.948 373 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 373 A C 2.331 179.632 177.584 -0.471 0.000 1.177 373 A CA 2.985 54.793 52.037 -0.381 0.000 0.636 373 A CB -1.083 17.635 19.000 -0.470 0.000 0.815 373 A HN 0.907 nan 8.150 nan 0.000 0.449 374 S N -0.409 115.166 115.700 -0.208 0.000 2.383 374 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 374 S C 1.765 176.341 174.600 -0.040 0.000 1.026 374 S CA 1.386 59.593 58.200 0.011 0.000 0.981 374 S CB -0.271 63.057 63.200 0.214 0.000 0.818 374 S HN 0.738 nan 8.310 nan 0.000 0.472 375 E N 0.548 120.715 120.200 -0.056 0.000 2.152 375 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 375 E C 2.027 178.570 176.600 -0.096 0.000 0.983 375 E CA 0.638 57.014 56.400 -0.039 0.000 0.818 375 E CB -0.131 29.570 29.700 0.001 0.000 0.758 375 E HN 0.228 nan 8.360 nan 0.000 0.467 376 V N 1.464 121.259 119.914 -0.199 0.000 2.295 376 V HA -0.244 3.875 4.120 -0.000 0.000 0.246 376 V C 2.269 178.249 176.094 -0.190 0.000 1.049 376 V CA 1.417 63.567 62.300 -0.251 0.000 1.024 376 V CB -0.323 31.237 31.823 -0.438 0.000 0.648 376 V HN 0.237 nan 8.190 nan 0.000 0.447 377 L N 0.881 121.973 121.223 -0.218 0.000 1.989 377 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 377 L C 2.475 179.303 176.870 -0.070 0.000 1.071 377 L CA 2.619 57.370 54.840 -0.149 0.000 0.749 377 L CB -1.179 40.817 42.059 -0.105 0.000 0.890 377 L HN 0.237 nan 8.230 nan 0.000 0.431 378 A N -0.504 122.291 122.820 -0.042 0.000 1.883 378 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 378 A C 2.352 179.920 177.584 -0.026 0.000 1.186 378 A CA 1.861 53.887 52.037 -0.018 0.000 0.624 378 A CB -1.711 17.289 19.000 0.001 0.000 0.822 378 A HN 0.575 nan 8.150 nan 0.000 0.444 379 G N -0.820 107.960 108.800 -0.034 0.000 2.432 379 G HA2 0.025 3.985 3.960 -0.000 0.000 0.219 379 G HA3 0.025 3.985 3.960 -0.000 0.000 0.219 379 G C 1.695 176.579 174.900 -0.026 0.000 1.135 379 G CA 1.441 46.526 45.100 -0.025 0.000 0.767 379 G HN 0.818 nan 8.290 nan 0.000 0.550 380 A N 0.564 123.359 122.820 -0.041 0.000 1.898 380 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 380 A C 2.420 179.984 177.584 -0.034 0.000 1.181 380 A CA 1.145 53.159 52.037 -0.038 0.000 0.620 380 A CB -0.382 18.583 19.000 -0.059 0.000 0.819 380 A HN 0.343 nan 8.150 nan 0.000 0.442 381 L N -0.677 120.524 121.223 -0.037 0.000 2.056 381 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 381 L C 2.658 179.515 176.870 -0.021 0.000 1.078 381 L CA 1.909 56.729 54.840 -0.032 0.000 0.749 381 L CB -0.378 41.662 42.059 -0.031 0.000 0.901 381 L HN 0.487 nan 8.230 nan 0.000 0.433 382 K N 0.162 120.552 120.400 -0.017 0.000 2.031 382 K HA -0.182 4.138 4.320 -0.000 0.000 0.205 382 K C 1.647 178.242 176.600 -0.008 0.000 1.049 382 K CA 1.743 58.023 56.287 -0.011 0.000 0.939 382 K CB 0.033 32.527 32.500 -0.010 0.000 0.717 382 K HN 0.139 nan 8.250 nan 0.000 0.438 383 D N 0.328 120.722 120.400 -0.009 0.000 2.117 383 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 383 D C 1.952 178.248 176.300 -0.006 0.000 0.987 383 D CA 1.671 55.668 54.000 -0.006 0.000 0.829 383 D CB -0.151 40.647 40.800 -0.004 0.000 0.961 383 D HN 0.349 nan 8.370 nan 0.000 0.460 384 S N -0.333 115.360 115.700 -0.010 0.000 2.481 384 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 384 S C 0.976 175.571 174.600 -0.009 0.000 0.996 384 S CA 0.466 58.659 58.200 -0.011 0.000 0.942 384 S CB 0.017 63.206 63.200 -0.019 0.000 0.768 384 S HN 0.118 nan 8.310 nan 0.000 0.520 385 K N -0.614 119.782 120.400 -0.006 0.000 3.467 385 K HA -0.193 4.127 4.320 -0.000 0.000 0.309 385 K C 1.038 177.639 176.600 0.001 0.000 1.350 385 K CA 0.964 57.251 56.287 0.000 0.000 0.934 385 K CB -1.498 31.004 32.500 0.003 0.000 1.312 385 K HN 0.507 nan 8.250 nan 0.000 0.461 386 R N 1.609 122.103 120.500 -0.009 0.000 2.081 386 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 386 R C 0.987 177.289 176.300 0.003 0.000 1.131 386 R CA 2.191 58.283 56.100 -0.014 0.000 0.960 386 R CB -0.046 30.232 30.300 -0.037 0.000 0.856 386 R HN 0.356 nan 8.270 nan 0.000 0.436 387 G N -1.597 107.204 108.800 0.003 0.000 2.694 387 G HA2 0.529 4.489 3.960 -0.000 0.000 0.290 387 G HA3 0.529 4.489 3.960 -0.000 0.000 0.290 387 G C -1.553 173.350 174.900 0.005 0.000 1.386 387 G CA -0.869 44.240 45.100 0.017 0.000 0.872 387 G HN 0.095 nan 8.290 nan 0.000 0.475 388 L N 0.440 121.657 121.223 -0.009 0.000 2.379 388 L HA 0.503 4.843 4.340 -0.000 0.000 0.269 388 L C -0.307 176.524 176.870 -0.066 0.000 1.084 388 L CA -1.001 53.817 54.840 -0.038 0.000 0.802 388 L CB 1.485 43.502 42.059 -0.070 0.000 1.175 388 L HN 0.198 nan 8.230 nan 0.000 0.448 389 I N 2.060 122.601 120.570 -0.049 0.000 2.339 389 I HA 0.544 4.714 4.170 -0.000 0.000 0.290 389 I C 0.152 176.238 176.117 -0.052 0.000 0.994 389 I CA -0.328 60.947 61.300 -0.043 0.000 1.191 389 I CB 1.156 39.143 38.000 -0.022 0.000 1.343 389 I HN 0.576 nan 8.210 nan 0.000 0.458 390 A N 3.876 126.660 122.820 -0.059 0.000 2.386 390 A HA 0.961 5.281 4.320 -0.000 0.000 0.311 390 A C 0.280 177.847 177.584 -0.029 0.000 1.068 390 A CA 0.235 52.239 52.037 -0.056 0.000 0.743 390 A CB 1.936 20.878 19.000 -0.097 0.000 1.258 390 A HN 1.090 nan 8.150 nan 0.000 0.429 391 G N 1.078 109.867 108.800 -0.019 0.000 2.214 391 G HA2 0.234 4.194 3.960 -0.000 0.000 0.200 391 G HA3 0.234 4.194 3.960 -0.000 0.000 0.200 391 G C -0.384 174.516 174.900 -0.000 0.000 1.126 391 G CA 0.264 45.361 45.100 -0.005 0.000 1.284 391 G HN 1.655 nan 8.290 nan 0.000 0.493 392 E N -0.010 120.194 120.200 0.006 0.000 2.393 392 E HA 0.681 5.031 4.350 -0.000 0.000 0.273 392 E C 0.005 176.611 176.600 0.009 0.000 0.918 392 E CA -1.004 55.400 56.400 0.007 0.000 0.773 392 E CB 2.071 31.777 29.700 0.009 0.000 1.275 392 E HN 0.659 nan 8.360 nan 0.000 0.451 393 R N 1.300 121.800 120.500 0.001 0.000 2.583 393 R HA 0.005 4.345 4.340 -0.000 0.000 0.274 393 R C 0.040 176.347 176.300 0.011 0.000 0.998 393 R CA 0.785 56.884 56.100 -0.002 0.000 1.081 393 R CB 0.291 30.580 30.300 -0.018 0.000 0.940 393 R HN 0.774 nan 8.270 nan 0.000 0.413 394 T N 1.217 115.787 114.554 0.026 0.000 2.754 394 T HA 0.031 4.381 4.350 -0.000 0.000 0.286 394 T C 1.119 175.862 174.700 0.072 0.000 0.997 394 T CA -0.477 61.663 62.100 0.067 0.000 0.982 394 T CB 0.420 69.332 68.868 0.074 0.000 1.027 394 T HN 0.597 nan 8.240 nan 0.000 0.529 395 F N 1.410 121.371 119.950 0.018 0.000 2.095 395 F HA 0.115 4.642 4.527 -0.000 0.000 0.298 395 F C 2.078 177.896 175.800 0.029 0.000 1.104 395 F CA 2.093 60.108 58.000 0.025 0.000 1.232 395 F CB -0.713 38.304 39.000 0.028 0.000 0.987 395 F HN 1.052 nan 8.300 nan 0.000 0.475 396 G N 0.774 109.691 108.800 0.196 0.000 2.140 396 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.211 396 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.211 396 G C 0.369 175.415 174.900 0.243 0.000 1.013 396 G CA 0.120 45.291 45.100 0.119 0.000 0.705 396 G HN 0.444 nan 8.290 nan 0.000 0.508 397 K N 0.642 121.238 120.400 0.326 0.000 2.180 397 K HA 0.498 4.818 4.320 -0.000 0.000 0.250 397 K C 1.448 178.105 176.600 0.095 0.000 1.135 397 K CA 0.179 56.584 56.287 0.197 0.000 1.037 397 K CB -0.375 32.196 32.500 0.120 0.000 1.624 397 K HN 0.292 nan 8.250 nan 0.000 0.382 398 G N 3.473 112.313 108.800 0.067 0.000 3.159 398 G HA2 0.135 4.095 3.960 -0.000 0.000 0.232 398 G HA3 0.135 4.095 3.960 -0.000 0.000 0.232 398 G C 0.251 175.111 174.900 -0.068 0.000 1.116 398 G CA -0.298 44.864 45.100 0.103 0.000 0.767 398 G HN 0.377 nan 8.290 nan 0.000 0.547 399 L N 0.763 121.871 121.223 -0.192 0.000 2.439 399 L HA 0.528 4.868 4.340 -0.000 0.000 0.261 399 L C -0.202 176.425 176.870 -0.406 0.000 1.153 399 L CA -0.502 54.139 54.840 -0.331 0.000 0.808 399 L CB 1.503 43.340 42.059 -0.370 0.000 1.126 399 L HN -0.064 nan 8.230 nan 0.000 0.460 400 I N 1.241 121.545 120.570 -0.442 0.000 2.498 400 I HA 0.328 4.497 4.170 -0.000 0.000 0.290 400 I C -0.752 175.213 176.117 -0.254 0.000 1.032 400 I CA -0.612 60.447 61.300 -0.401 0.000 1.073 400 I CB 2.068 39.732 38.000 -0.561 0.000 1.251 400 I HN 0.519 nan 8.210 nan 0.000 0.426 401 Q N 3.142 122.846 119.800 -0.161 0.000 2.345 401 Q HA 0.649 4.989 4.340 -0.000 0.000 0.268 401 Q C -0.971 175.006 176.000 -0.039 0.000 1.054 401 Q CA -0.513 55.254 55.803 -0.060 0.000 0.835 401 Q CB 2.548 31.306 28.738 0.032 0.000 1.339 401 Q HN 0.520 nan 8.270 nan 0.000 0.447 402 T N 0.536 115.081 114.554 -0.016 0.000 2.861 402 T HA 0.523 4.873 4.350 -0.000 0.000 0.287 402 T C -0.905 173.802 174.700 0.012 0.000 1.003 402 T CA -0.584 61.510 62.100 -0.009 0.000 0.977 402 T CB 1.185 70.037 68.868 -0.026 0.000 0.996 402 T HN 0.282 nan 8.240 nan 0.000 0.448 403 V N 3.851 123.770 119.914 0.008 0.000 2.406 403 V HA 0.301 4.421 4.120 -0.000 0.000 0.272 403 V C 0.082 176.170 176.094 -0.011 0.000 1.043 403 V CA -0.569 61.727 62.300 -0.007 0.000 0.915 403 V CB 1.204 33.010 31.823 -0.028 0.000 0.988 403 V HN 0.679 nan 8.190 nan 0.000 0.466 404 V N 4.942 124.852 119.914 -0.007 0.000 2.383 404 V HA 0.298 4.418 4.120 -0.000 0.000 0.275 404 V C 0.018 176.109 176.094 -0.005 0.000 1.036 404 V CA -0.814 61.487 62.300 0.001 0.000 0.889 404 V CB 1.320 33.153 31.823 0.016 0.000 0.985 404 V HN 0.794 nan 8.190 nan 0.000 0.459 405 D N 4.835 125.232 120.400 -0.004 0.000 2.345 405 D HA 0.411 5.051 4.640 -0.000 0.000 0.247 405 D C -0.073 176.242 176.300 0.025 0.000 1.108 405 D CA 0.061 54.058 54.000 -0.005 0.000 0.894 405 D CB 1.592 42.390 40.800 -0.004 0.000 1.203 405 D HN 0.300 nan 8.370 nan 0.000 0.430 406 L N 0.838 122.084 121.223 0.039 0.000 2.352 406 L HA 0.165 4.505 4.340 -0.000 0.000 0.269 406 L C 1.869 178.786 176.870 0.079 0.000 1.034 406 L CA -0.732 54.157 54.840 0.083 0.000 0.806 406 L CB 1.462 43.610 42.059 0.149 0.000 1.244 406 L HN 0.395 nan 8.230 nan 0.000 0.447 407 S N -0.401 115.351 115.700 0.087 0.000 2.420 407 S HA -0.211 4.259 4.470 -0.000 0.000 0.237 407 S C 0.946 175.594 174.600 0.081 0.000 1.023 407 S CA 1.490 59.736 58.200 0.076 0.000 0.991 407 S CB -0.454 62.791 63.200 0.075 0.000 0.792 407 S HN 0.861 nan 8.310 nan 0.000 0.488 408 D N -0.115 120.352 120.400 0.111 0.000 2.388 408 D HA 0.312 4.951 4.640 -0.000 0.000 0.221 408 D C 1.282 177.641 176.300 0.099 0.000 1.133 408 D CA 0.365 54.435 54.000 0.117 0.000 0.831 408 D CB -0.389 40.514 40.800 0.173 0.000 0.962 408 D HN 0.576 nan 8.370 nan 0.000 0.502 409 G N 0.229 109.066 108.800 0.062 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 0.524 175.409 174.900 -0.025 0.000 0.979 409 G CA 0.463 45.576 45.100 0.022 0.000 0.641 409 G HN 0.771 nan 8.290 nan 0.000 0.530 410 S N -0.559 115.135 115.700 -0.011 0.000 2.671 410 S HA 0.860 5.330 4.470 -0.000 0.000 0.272 410 S C 0.434 174.909 174.600 -0.208 0.000 1.174 410 S CA 0.300 58.383 58.200 -0.195 0.000 1.004 410 S CB 2.196 65.255 63.200 -0.235 0.000 1.077 410 S HN 1.907 nan 8.310 nan 0.000 0.553 411 G N -1.215 107.330 108.800 -0.426 0.000 2.698 411 G HA2 0.546 4.506 3.960 -0.000 0.000 0.293 411 G HA3 0.546 4.506 3.960 -0.000 0.000 0.293 411 G C -1.767 172.975 174.900 -0.264 0.000 1.437 411 G CA -0.697 44.256 45.100 -0.245 0.000 0.852 411 G HN 0.822 nan 8.290 nan 0.000 0.499 412 V N 0.439 120.319 119.914 -0.057 0.000 2.459 412 V HA 0.728 4.848 4.120 -0.000 0.000 0.295 412 V C 0.500 176.591 176.094 -0.005 0.000 1.029 412 V CA -0.657 61.656 62.300 0.021 0.000 0.874 412 V CB 1.474 33.362 31.823 0.108 0.000 0.985 412 V HN 1.213 nan 8.190 nan 0.000 0.438 413 A N 5.014 127.842 122.820 0.014 0.000 2.252 413 A HA 0.766 5.086 4.320 -0.000 0.000 0.309 413 A C -0.536 177.124 177.584 0.126 0.000 1.285 413 A CA -0.395 51.687 52.037 0.075 0.000 0.900 413 A CB 0.577 19.672 19.000 0.158 0.000 1.157 413 A HN 0.718 nan 8.150 nan 0.000 0.536 414 V N 2.183 122.158 119.914 0.102 0.000 2.555 414 V HA 0.398 4.518 4.120 -0.000 0.000 0.302 414 V C 0.479 176.632 176.094 0.099 0.000 1.038 414 V CA -0.599 61.779 62.300 0.130 0.000 0.887 414 V CB 1.747 33.631 31.823 0.102 0.000 0.991 414 V HN 0.815 nan 8.190 nan 0.000 0.434 415 T N 3.589 118.225 114.554 0.136 0.000 2.752 415 T HA 0.215 4.564 4.350 -0.000 0.000 0.295 415 T C 1.041 175.645 174.700 -0.160 0.000 0.923 415 T CA 0.070 62.156 62.100 -0.024 0.000 1.112 415 T CB 0.949 69.808 68.868 -0.016 0.000 0.884 415 T HN 0.780 nan 8.240 nan 0.000 0.525 416 V N 0.901 120.701 119.914 -0.190 0.000 3.431 416 V HA 0.762 4.882 4.120 -0.000 0.000 0.253 416 V C 0.615 176.540 176.094 -0.282 0.000 1.184 416 V CA 0.480 62.648 62.300 -0.219 0.000 1.104 416 V CB -0.632 31.101 31.823 -0.151 0.000 0.799 416 V HN 0.925 nan 8.190 nan 0.000 0.462 417 A N 0.909 123.541 122.820 -0.313 0.000 2.511 417 A HA 0.845 5.164 4.320 -0.000 0.000 0.293 417 A C -0.962 176.394 177.584 -0.381 0.000 1.098 417 A CA -0.809 51.032 52.037 -0.327 0.000 0.643 417 A CB 1.145 19.961 19.000 -0.306 0.000 1.302 417 A HN 0.600 nan 8.150 nan 0.000 0.446 418 R N -0.191 120.099 120.500 -0.350 0.000 2.771 418 R HA 0.642 4.982 4.340 -0.000 0.000 0.274 418 R C -1.728 174.385 176.300 -0.310 0.000 0.987 418 R CA -0.614 55.270 56.100 -0.360 0.000 0.908 418 R CB 1.023 31.192 30.300 -0.218 0.000 1.213 418 R HN 0.664 nan 8.270 nan 0.000 0.468 419 Y N 1.026 121.250 120.300 -0.127 0.000 2.319 419 Y HA 0.214 4.764 4.550 -0.000 0.000 0.328 419 Y C 0.456 176.323 175.900 -0.056 0.000 1.133 419 Y CA -0.201 57.843 58.100 -0.094 0.000 1.265 419 Y CB 1.417 39.823 38.460 -0.091 0.000 1.218 419 Y HN 0.312 nan 8.280 nan 0.000 0.508 420 Q N 1.279 121.168 119.800 0.148 0.000 2.397 420 Q HA 0.299 4.639 4.340 -0.000 0.000 0.275 420 Q C -0.613 175.430 176.000 0.072 0.000 1.090 420 Q CA -1.126 54.723 55.803 0.076 0.000 0.809 420 Q CB 2.396 31.156 28.738 0.036 0.000 1.362 420 Q HN 0.773 nan 8.270 nan 0.000 0.431 421 T N -1.915 112.663 114.554 0.041 0.000 2.856 421 T HA 0.127 4.477 4.350 -0.000 0.000 0.306 421 T C -1.786 172.931 174.700 0.028 0.000 1.062 421 T CA -1.288 60.828 62.100 0.027 0.000 1.083 421 T CB 0.270 69.145 68.868 0.013 0.000 0.984 421 T HN 0.292 nan 8.240 nan 0.000 0.542 422 P HA -0.135 nan 4.420 nan 0.000 0.218 422 P C 1.218 178.526 177.300 0.013 0.000 1.147 422 P CA 1.551 64.664 63.100 0.021 0.000 0.827 422 P CB -0.364 31.344 31.700 0.013 0.000 0.778 423 A N -1.152 121.674 122.820 0.009 0.000 2.235 423 A HA 0.390 4.710 4.320 -0.000 0.000 0.208 423 A C 1.690 179.276 177.584 0.004 0.000 1.172 423 A CA 0.741 52.781 52.037 0.005 0.000 0.786 423 A CB -1.333 17.669 19.000 0.003 0.000 0.804 423 A HN 0.261 nan 8.150 nan 0.000 0.479 424 G N -1.358 107.447 108.800 0.008 0.000 2.160 424 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.251 424 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.251 424 G C 0.139 175.039 174.900 0.001 0.000 1.008 424 G CA 0.333 45.435 45.100 0.004 0.000 0.724 424 G HN 0.753 nan 8.290 nan 0.000 0.514 425 V N 0.247 120.164 119.914 0.005 0.000 2.539 425 V HA 0.406 4.526 4.120 -0.000 0.000 0.292 425 V C 0.563 176.662 176.094 0.008 0.000 1.045 425 V CA -0.600 61.702 62.300 0.003 0.000 0.945 425 V CB 1.639 33.464 31.823 0.003 0.000 0.993 425 V HN 0.325 nan 8.190 nan 0.000 0.464 426 D N 2.575 122.977 120.400 0.003 0.000 2.382 426 D HA 0.194 4.834 4.640 -0.000 0.000 0.245 426 D C 1.126 177.438 176.300 0.021 0.000 1.120 426 D CA -0.173 53.832 54.000 0.008 0.000 0.890 426 D CB 0.929 41.724 40.800 -0.007 0.000 1.201 426 D HN 0.299 nan 8.370 nan 0.000 0.433 427 I N 1.098 121.695 120.570 0.044 0.000 2.333 427 I HA -0.122 4.048 4.170 -0.000 0.000 0.246 427 I C 1.126 177.272 176.117 0.049 0.000 1.106 427 I CA 0.602 61.935 61.300 0.054 0.000 1.411 427 I CB -0.523 37.530 38.000 0.089 0.000 1.082 427 I HN 0.506 nan 8.210 nan 0.000 0.420 428 N N 2.571 121.296 118.700 0.042 0.000 2.359 428 N HA -0.145 4.595 4.740 -0.000 0.000 0.261 428 N C 0.444 175.971 175.510 0.028 0.000 1.267 428 N CA 0.634 53.706 53.050 0.037 0.000 0.864 428 N CB 0.547 39.036 38.487 0.004 0.000 1.063 428 N HN 0.153 nan 8.380 nan 0.000 0.474 429 K N 2.142 122.564 120.400 0.036 0.000 7.487 429 K HA -0.273 4.047 4.320 -0.000 0.000 0.481 429 K C 1.467 178.054 176.600 -0.023 0.000 0.360 429 K CA 1.858 58.146 56.287 0.001 0.000 1.960 429 K CB -1.626 30.877 32.500 0.004 0.000 0.652 429 K HN 0.615 nan 8.250 nan 0.000 0.846 430 I N 1.387 121.952 120.570 -0.008 0.000 2.252 430 I HA -0.107 4.062 4.170 -0.000 0.000 0.245 430 I C 1.563 177.672 176.117 -0.013 0.000 1.102 430 I CA 1.359 62.651 61.300 -0.013 0.000 1.385 430 I CB -0.500 37.497 38.000 -0.005 0.000 1.064 430 I HN 0.592 nan 8.210 nan 0.000 0.414 431 G N 0.513 109.317 108.800 0.006 0.000 2.698 431 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.233 431 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.233 431 G C -0.469 174.437 174.900 0.011 0.000 1.352 431 G CA -0.436 44.675 45.100 0.018 0.000 0.879 431 G HN 0.117 nan 8.290 nan 0.000 0.567 432 V N 0.574 120.496 119.914 0.013 0.000 2.417 432 V HA 0.634 4.754 4.120 -0.000 0.000 0.291 432 V C 0.537 176.633 176.094 0.002 0.000 1.024 432 V CA -0.132 62.172 62.300 0.006 0.000 0.861 432 V CB 1.574 33.400 31.823 0.006 0.000 0.985 432 V HN 0.940 nan 8.190 nan 0.000 0.436 433 S N 6.305 122.003 115.700 -0.002 0.000 2.578 433 S HA 0.581 5.050 4.470 -0.000 0.000 0.283 433 S C -2.494 172.103 174.600 -0.006 0.000 1.195 433 S CA -0.976 57.221 58.200 -0.005 0.000 1.050 433 S CB 1.632 64.828 63.200 -0.006 0.000 1.012 433 S HN 0.600 nan 8.310 nan 0.000 0.511 434 P HA 0.295 nan 4.420 nan 0.000 0.278 434 P C -0.009 177.284 177.300 -0.011 0.000 1.238 434 P CA -0.391 62.702 63.100 -0.011 0.000 0.794 434 P CB 0.639 32.332 31.700 -0.012 0.000 0.955 435 D N 0.397 120.787 120.400 -0.016 0.000 2.183 435 D HA 0.006 4.645 4.640 -0.000 0.000 0.205 435 D C 0.159 176.452 176.300 -0.012 0.000 0.962 435 D CA 1.368 55.362 54.000 -0.011 0.000 0.849 435 D CB 0.419 41.212 40.800 -0.011 0.000 0.978 435 D HN 0.104 nan 8.370 nan 0.000 0.488 436 V N 2.803 122.703 119.914 -0.023 0.000 2.326 436 V HA 0.122 4.242 4.120 -0.000 0.000 0.281 436 V C 0.080 176.162 176.094 -0.020 0.000 1.015 436 V CA -0.694 61.593 62.300 -0.022 0.000 0.823 436 V CB 1.785 33.584 31.823 -0.041 0.000 1.009 436 V HN -0.022 nan 8.190 nan 0.000 0.436 437 Q N 4.843 124.637 119.800 -0.010 0.000 2.286 437 Q HA 0.532 4.872 4.340 -0.000 0.000 0.267 437 Q C -0.906 175.090 176.000 -0.006 0.000 1.028 437 Q CA 0.318 56.117 55.803 -0.007 0.000 0.901 437 Q CB 1.360 30.096 28.738 -0.003 0.000 1.183 437 Q HN 0.624 nan 8.270 nan 0.000 0.392 438 L N 1.545 122.765 121.223 -0.006 0.000 2.465 438 L HA 0.278 4.618 4.340 -0.000 0.000 0.257 438 L C -0.280 176.590 176.870 0.000 0.000 0.988 438 L CA -1.132 53.706 54.840 -0.004 0.000 0.827 438 L CB 2.124 44.178 42.059 -0.008 0.000 1.397 438 L HN 0.484 nan 8.230 nan 0.000 0.410 439 D N 3.779 124.180 120.400 0.002 0.000 2.412 439 D HA 0.043 4.683 4.640 -0.000 0.000 0.257 439 D C -1.595 174.709 176.300 0.006 0.000 1.217 439 D CA -1.296 52.706 54.000 0.004 0.000 0.897 439 D CB 1.201 42.004 40.800 0.004 0.000 1.132 439 D HN 0.193 nan 8.370 nan 0.000 0.493 440 P HA -0.061 nan 4.420 nan 0.000 0.236 440 P C 0.296 177.604 177.300 0.014 0.000 1.172 440 P CA 0.791 63.899 63.100 0.014 0.000 0.759 440 P CB 0.308 32.019 31.700 0.019 0.000 0.843 441 E N -1.293 118.912 120.200 0.010 0.000 2.511 441 E HA 0.047 4.397 4.350 -0.000 0.000 0.209 441 E C 1.661 178.262 176.600 0.001 0.000 0.986 441 E CA -0.110 56.295 56.400 0.007 0.000 0.974 441 E CB 0.163 29.868 29.700 0.007 0.000 1.030 441 E HN -0.049 nan 8.360 nan 0.000 0.490 442 V N 1.196 121.110 119.914 -0.000 0.000 2.287 442 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 442 V C 1.057 177.142 176.094 -0.014 0.000 1.053 442 V CA 1.187 63.483 62.300 -0.006 0.000 1.027 442 V CB -0.175 31.645 31.823 -0.004 0.000 0.646 442 V HN 0.195 nan 8.190 nan 0.000 0.447 443 L N 1.612 122.828 121.223 -0.011 0.000 2.292 443 L HA 0.419 4.758 4.340 -0.000 0.000 0.284 443 L C -1.932 174.923 176.870 -0.026 0.000 1.065 443 L CA -1.604 53.219 54.840 -0.028 0.000 0.806 443 L CB 1.018 43.060 42.059 -0.028 0.000 1.175 443 L HN 0.036 nan 8.230 nan 0.000 0.431 444 P HA 0.318 nan 4.420 nan 0.000 0.289 444 P C -0.139 177.144 177.300 -0.028 0.000 1.299 444 P CA -0.275 62.801 63.100 -0.040 0.000 0.766 444 P CB 0.451 32.118 31.700 -0.055 0.000 1.226 445 T N -5.344 109.214 114.554 0.007 0.000 3.003 445 T HA 0.093 4.443 4.350 -0.000 0.000 0.261 445 T C 0.292 175.043 174.700 0.085 0.000 1.003 445 T CA -0.278 61.873 62.100 0.086 0.000 0.917 445 T CB -0.376 68.540 68.868 0.080 0.000 1.084 445 T HN 0.438 nan 8.240 nan 0.000 0.522 446 D N 1.992 122.396 120.400 0.006 0.000 2.210 446 D HA 0.228 4.868 4.640 -0.000 0.000 0.249 446 D C 1.249 177.518 176.300 -0.052 0.000 1.078 446 D CA -0.658 53.340 54.000 -0.003 0.000 0.875 446 D CB 1.928 42.716 40.800 -0.021 0.000 1.175 446 D HN 0.100 nan 8.370 nan 0.000 0.440 447 L N 0.973 122.185 121.223 -0.018 0.000 2.013 447 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 447 L C 2.633 179.446 176.870 -0.094 0.000 1.073 447 L CA 1.625 56.435 54.840 -0.051 0.000 0.753 447 L CB -0.623 41.428 42.059 -0.014 0.000 0.890 447 L HN 0.615 nan 8.230 nan 0.000 0.432 448 E N 0.366 120.525 120.200 -0.069 0.000 2.023 448 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 448 E C 2.192 178.744 176.600 -0.080 0.000 1.003 448 E CA 1.435 57.796 56.400 -0.066 0.000 0.809 448 E CB -0.281 29.390 29.700 -0.049 0.000 0.755 448 E HN 0.461 nan 8.360 nan 0.000 0.449 449 G N 0.411 109.162 108.800 -0.081 0.000 2.442 449 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 449 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 449 G C 1.666 176.489 174.900 -0.127 0.000 1.141 449 G CA 1.028 46.077 45.100 -0.085 0.000 0.763 449 G HN 0.246 nan 8.290 nan 0.000 0.554 450 V N 0.634 120.425 119.914 -0.205 0.000 2.255 450 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 450 V C 3.085 179.050 176.094 -0.215 0.000 1.051 450 V CA 1.994 64.104 62.300 -0.316 0.000 1.018 450 V CB -0.911 30.486 31.823 -0.710 0.000 0.641 450 V HN 0.511 nan 8.190 nan 0.000 0.445 451 c N -0.538 117.957 118.600 -0.175 0.000 2.413 451 c HA -0.171 4.399 4.570 -0.000 0.000 0.276 451 c C 2.904 176.953 174.090 -0.069 0.000 1.248 451 c CA 1.399 57.669 56.329 -0.100 0.000 1.742 451 c CB -1.249 41.218 42.510 -0.071 0.000 2.017 451 c HN 0.556 nan 8.230 nan 0.000 0.481 452 R N 0.844 121.303 120.500 -0.069 0.000 2.097 452 R HA -0.175 4.165 4.340 -0.000 0.000 0.236 452 R C 1.956 178.230 176.300 -0.043 0.000 1.135 452 R CA 2.333 58.403 56.100 -0.049 0.000 0.934 452 R CB -0.438 29.833 30.300 -0.048 0.000 0.846 452 R HN 0.401 nan 8.270 nan 0.000 0.431 453 V N 1.321 121.203 119.914 -0.054 0.000 2.490 453 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 453 V C 2.294 178.370 176.094 -0.031 0.000 1.061 453 V CA 1.476 63.751 62.300 -0.042 0.000 1.064 453 V CB -0.362 31.430 31.823 -0.051 0.000 0.670 453 V HN 0.360 nan 8.190 nan 0.000 0.461 454 L N 0.321 121.521 121.223 -0.038 0.000 2.217 454 L HA 0.032 4.372 4.340 -0.000 0.000 0.211 454 L C 2.362 179.232 176.870 -0.001 0.000 1.107 454 L CA 1.365 56.197 54.840 -0.014 0.000 0.783 454 L CB -0.635 41.414 42.059 -0.017 0.000 0.919 454 L HN 0.473 nan 8.230 nan 0.000 0.442 455 G N -0.971 107.823 108.800 -0.010 0.000 2.838 455 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.210 455 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.210 455 G C 0.833 175.730 174.900 -0.005 0.000 1.153 455 G CA 0.439 45.536 45.100 -0.005 0.000 0.778 455 G HN 0.376 nan 8.290 nan 0.000 0.539 456 S N -0.480 115.215 115.700 -0.008 0.000 2.608 456 S HA 0.106 4.576 4.470 -0.000 0.000 0.261 456 S C 0.916 175.515 174.600 -0.001 0.000 1.314 456 S CA -0.007 58.189 58.200 -0.007 0.000 0.992 456 S CB 1.364 64.558 63.200 -0.011 0.000 0.935 456 S HN 0.074 nan 8.310 nan 0.000 0.564 457 D N 0.538 120.937 120.400 -0.001 0.000 2.312 457 D HA 0.017 4.657 4.640 -0.000 0.000 0.211 457 D C 1.191 177.492 176.300 0.003 0.000 0.964 457 D CA 0.946 54.947 54.000 0.002 0.000 0.877 457 D CB -0.115 40.685 40.800 0.000 0.000 0.924 457 D HN 0.700 nan 8.370 nan 0.000 0.515 458 A N 0.149 122.970 122.820 0.001 0.000 2.577 458 A HA 0.538 4.858 4.320 -0.000 0.000 0.280 458 A C 0.682 178.267 177.584 0.002 0.000 1.331 458 A CA -0.162 51.875 52.037 0.001 0.000 0.935 458 A CB -0.015 18.983 19.000 -0.003 0.000 1.082 458 A HN 0.150 nan 8.150 nan 0.000 0.525 459 A N 1.725 124.549 122.820 0.007 0.000 2.440 459 A HA 0.553 4.873 4.320 -0.000 0.000 0.251 459 A C -2.220 175.376 177.584 0.019 0.000 1.089 459 A CA -1.042 51.002 52.037 0.012 0.000 0.779 459 A CB -0.246 18.766 19.000 0.020 0.000 1.022 459 A HN 0.325 nan 8.150 nan 0.000 0.492 460 P HA 0.148 nan 4.420 nan 0.000 0.271 460 P C -0.545 176.776 177.300 0.036 0.000 1.218 460 P CA -0.084 63.027 63.100 0.018 0.000 0.780 460 P CB 0.428 32.132 31.700 0.006 0.000 0.901 461 R N 2.428 122.949 120.500 0.036 0.000 4.164 461 R HA 0.165 4.505 4.340 -0.000 0.000 0.195 461 R C 1.517 177.847 176.300 0.051 0.000 1.712 461 R CA -0.260 55.877 56.100 0.062 0.000 1.457 461 R CB -0.805 29.529 30.300 0.058 0.000 1.387 461 R HN 0.496 nan 8.270 nan 0.000 0.785 462 L N 0.577 121.822 121.223 0.037 0.000 1.991 462 L HA -0.247 4.093 4.340 -0.000 0.000 0.221 462 L C 0.838 177.562 176.870 -0.244 0.000 1.079 462 L CA 1.667 56.434 54.840 -0.121 0.000 0.778 462 L CB -0.436 41.505 42.059 -0.197 0.000 0.893 462 L HN 0.292 nan 8.230 nan 0.000 0.437 463 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 0.020 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