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 1dwx_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDXXXXX XSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.230 176.000 0.384 0.000 1.003 77 Q CA 0.000 55.871 55.803 0.113 0.000 1.022 77 Q CB 0.000 28.720 28.738 -0.030 0.000 1.108 78 Y N -1.883 118.558 120.300 0.234 0.000 2.702 78 Y HA 0.664 5.214 4.550 -0.000 0.000 0.336 78 Y C -1.716 174.216 175.900 0.055 0.000 1.203 78 Y CA -1.237 57.004 58.100 0.236 0.000 1.072 78 Y CB 0.819 39.367 38.460 0.147 0.000 1.327 78 Y HN -0.205 nan 8.280 nan 0.000 0.456 79 V N 2.977 123.057 119.914 0.277 0.000 2.435 79 V HA 0.538 4.658 4.120 -0.000 0.000 0.290 79 V C -0.041 176.211 176.094 0.263 0.000 1.030 79 V CA -0.857 61.494 62.300 0.084 0.000 0.881 79 V CB 1.405 33.097 31.823 -0.218 0.000 0.983 79 V HN 0.801 nan 8.190 nan 0.000 0.445 80 R N 4.137 124.777 120.500 0.234 0.000 2.267 80 R HA 0.586 4.926 4.340 -0.000 0.000 0.319 80 R C -1.076 175.306 176.300 0.137 0.000 1.067 80 R CA -0.215 56.052 56.100 0.279 0.000 0.936 80 R CB 0.488 30.932 30.300 0.240 0.000 1.006 80 R HN 0.692 nan 8.270 nan 0.000 0.452 81 I N 4.074 124.703 120.570 0.100 0.000 2.465 81 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 81 I C -0.445 175.646 176.117 -0.044 0.000 1.014 81 I CA -0.666 60.655 61.300 0.035 0.000 1.093 81 I CB 1.992 40.009 38.000 0.029 0.000 1.267 81 I HN 0.495 nan 8.210 nan 0.000 0.431 82 K N 5.718 126.051 120.400 -0.110 0.000 2.259 82 K HA 0.340 4.660 4.320 -0.000 0.000 0.252 82 K C -0.869 175.535 176.600 -0.327 0.000 0.936 82 K CA -0.713 55.387 56.287 -0.312 0.000 0.810 82 K CB 1.525 33.649 32.500 -0.627 0.000 1.143 82 K HN 0.530 nan 8.250 nan 0.000 0.427 83 N N 4.209 122.741 118.700 -0.281 0.000 2.485 83 N HA 0.070 4.810 4.740 -0.000 0.000 0.243 83 N C -0.194 175.216 175.510 -0.167 0.000 0.987 83 N CA -0.334 52.637 53.050 -0.131 0.000 0.940 83 N CB 0.402 38.858 38.487 -0.052 0.000 1.122 83 N HN 0.655 nan 8.380 nan 0.000 0.509 84 W N 2.624 123.945 121.300 0.036 0.000 2.747 84 W HA 0.099 4.759 4.660 -0.000 0.000 0.244 84 W C 1.966 178.503 176.519 0.029 0.000 1.270 84 W CA 0.150 57.517 57.345 0.036 0.000 1.333 84 W CB 0.148 29.632 29.460 0.040 0.000 1.139 84 W HN 0.626 nan 8.180 nan 0.000 0.662 85 G N -0.266 108.634 108.800 0.167 0.000 2.471 85 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.211 85 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.211 85 G C 1.534 176.476 174.900 0.070 0.000 1.194 85 G CA 0.995 46.163 45.100 0.114 0.000 0.816 85 G HN 0.247 nan 8.290 nan 0.000 0.545 86 S N -0.466 115.253 115.700 0.032 0.000 2.548 86 S HA 0.349 4.819 4.470 -0.000 0.000 0.215 86 S C 1.946 176.535 174.600 -0.018 0.000 0.976 86 S CA 1.064 59.269 58.200 0.009 0.000 0.908 86 S CB 0.116 63.314 63.200 -0.003 0.000 0.781 86 S HN 1.572 nan 8.310 nan 0.000 0.519 87 G N 1.157 109.928 108.800 -0.050 0.000 2.189 87 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.267 87 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.267 87 G C -0.120 174.692 174.900 -0.148 0.000 0.975 87 G CA 0.461 45.492 45.100 -0.114 0.000 0.644 87 G HN 0.716 nan 8.290 nan 0.000 0.537 88 E N 0.759 120.889 120.200 -0.117 0.000 2.384 88 E HA 0.407 4.757 4.350 -0.000 0.000 0.266 88 E C 1.112 177.620 176.600 -0.154 0.000 1.012 88 E CA -0.260 56.073 56.400 -0.113 0.000 0.901 88 E CB 0.175 29.826 29.700 -0.081 0.000 0.967 88 E HN 0.600 nan 8.360 nan 0.000 0.435 89 I N 2.260 122.739 120.570 -0.151 0.000 2.460 89 I HA 0.484 4.654 4.170 -0.000 0.000 0.298 89 I C -0.773 175.212 176.117 -0.219 0.000 0.989 89 I CA -0.986 60.217 61.300 -0.162 0.000 1.173 89 I CB 1.123 39.053 38.000 -0.116 0.000 1.338 89 I HN 0.361 nan 8.210 nan 0.000 0.456 90 L N 4.656 125.767 121.223 -0.187 0.000 2.354 90 L HA 0.532 4.872 4.340 -0.000 0.000 0.264 90 L C -0.909 175.882 176.870 -0.132 0.000 1.008 90 L CA -0.635 54.068 54.840 -0.228 0.000 0.819 90 L CB 2.479 44.472 42.059 -0.111 0.000 1.339 90 L HN 0.647 nan 8.230 nan 0.000 0.420 91 H N 0.485 119.478 119.070 -0.127 0.000 2.638 91 H HA 0.179 4.735 4.556 -0.000 0.000 0.317 91 H C -1.104 174.153 175.328 -0.118 0.000 1.006 91 H CA -0.787 55.129 56.048 -0.219 0.000 1.222 91 H CB 1.797 31.145 29.762 -0.690 0.000 1.419 91 H HN 0.394 nan 8.280 nan 0.000 0.489 92 D N 2.748 123.220 120.400 0.120 0.000 2.336 92 D HA 0.033 4.673 4.640 -0.000 0.000 0.249 92 D C 0.383 176.827 176.300 0.241 0.000 1.213 92 D CA 0.124 54.193 54.000 0.116 0.000 0.870 92 D CB 1.338 42.163 40.800 0.042 0.000 1.076 92 D HN 0.592 nan 8.370 nan 0.000 0.483 93 T N 3.881 118.548 114.554 0.189 0.000 3.034 93 T HA 0.043 4.393 4.350 -0.000 0.000 0.248 93 T C 2.088 176.827 174.700 0.066 0.000 1.040 93 T CA -0.197 62.014 62.100 0.186 0.000 1.107 93 T CB 0.273 69.225 68.868 0.140 0.000 0.932 93 T HN 0.349 nan 8.240 nan 0.000 0.474 94 L N 2.325 123.601 121.223 0.088 0.000 2.043 94 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 94 L C 2.949 179.804 176.870 -0.025 0.000 1.075 94 L CA 1.781 56.646 54.840 0.041 0.000 0.752 94 L CB -0.640 41.454 42.059 0.059 0.000 0.891 94 L HN 0.557 nan 8.230 nan 0.000 0.432 95 H N -1.315 117.692 119.070 -0.105 0.000 2.501 95 H HA -0.269 4.287 4.556 0.000 0.000 0.296 95 H C 1.713 176.986 175.328 -0.092 0.000 1.115 95 H CA 2.095 58.074 56.048 -0.116 0.000 1.242 95 H CB -1.187 28.485 29.762 -0.149 0.000 1.363 95 H HN 0.566 nan 8.280 nan 0.000 0.537 96 H N 1.087 119.855 119.070 -0.504 0.000 2.423 96 H HA 0.040 4.596 4.556 -0.000 0.000 0.297 96 H C 1.706 176.958 175.328 -0.126 0.000 1.075 96 H CA 1.064 56.916 56.048 -0.327 0.000 1.342 96 H CB 0.246 29.825 29.762 -0.305 0.000 1.395 96 H HN 0.366 nan 8.280 nan 0.000 0.530 97 K N 0.851 121.263 120.400 0.021 0.000 2.505 97 K HA 0.193 4.513 4.320 -0.000 0.000 0.192 97 K C 0.583 177.197 176.600 0.023 0.000 1.025 97 K CA -0.101 56.201 56.287 0.026 0.000 1.086 97 K CB 0.584 33.099 32.500 0.024 0.000 0.840 97 K HN 0.173 nan 8.250 nan 0.000 0.514 98 A N 1.162 123.997 122.820 0.024 0.000 2.386 98 A HA 0.141 4.461 4.320 -0.000 0.000 0.246 98 A C 0.721 178.322 177.584 0.028 0.000 1.089 98 A CA -0.173 51.883 52.037 0.031 0.000 0.790 98 A CB 0.246 19.273 19.000 0.045 0.000 1.042 98 A HN 0.163 nan 8.150 nan 0.000 0.497 99 T N 0.617 115.186 114.554 0.025 0.000 3.332 99 T HA 0.243 4.593 4.350 -0.000 0.000 0.367 99 T C 1.749 176.462 174.700 0.022 0.000 1.244 99 T CA 0.220 62.332 62.100 0.020 0.000 0.977 99 T CB -0.197 68.680 68.868 0.016 0.000 1.784 99 T HN 0.665 nan 8.240 nan 0.000 0.553 100 S N 0.659 116.369 115.700 0.017 0.000 2.227 100 S HA 0.013 4.483 4.470 -0.000 0.000 0.173 100 S C 0.581 175.192 174.600 0.019 0.000 1.372 100 S CA 0.544 58.754 58.200 0.016 0.000 2.325 100 S CB -0.397 62.809 63.200 0.011 0.000 0.475 100 S HN 0.609 nan 8.310 nan 0.000 0.351 109 C N 6.591 125.904 119.300 0.022 0.000 2.330 109 C HA 0.584 5.044 4.460 -0.000 0.000 0.344 109 C C 1.015 176.022 174.990 0.029 0.000 1.273 109 C CA -0.602 58.430 59.018 0.024 0.000 1.879 109 C CB -0.306 27.446 27.740 0.020 0.000 2.376 109 C HN 0.882 nan 8.230 nan 0.000 0.534 110 L N 5.688 126.932 121.223 0.036 0.000 2.700 110 L HA 0.208 4.548 4.340 -0.000 0.000 0.234 110 L C 2.228 179.143 176.870 0.074 0.000 1.156 110 L CA 0.871 55.740 54.840 0.048 0.000 0.946 110 L CB -0.962 41.122 42.059 0.042 0.000 1.216 110 L HN 1.109 nan 8.230 nan 0.000 0.493 111 G N -0.045 108.799 108.800 0.073 0.000 2.503 111 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.221 111 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.221 111 G C 1.699 176.684 174.900 0.142 0.000 1.131 111 G CA 1.311 46.470 45.100 0.098 0.000 0.756 111 G HN 0.429 nan 8.290 nan 0.000 0.572 112 S N -0.339 115.443 115.700 0.136 0.000 2.474 112 S HA 0.068 4.538 4.470 -0.000 0.000 0.235 112 S C 1.135 175.860 174.600 0.207 0.000 0.997 112 S CA -0.254 58.048 58.200 0.169 0.000 0.949 112 S CB -0.304 62.977 63.200 0.135 0.000 0.766 112 S HN 0.100 nan 8.310 nan 0.000 0.517 113 I N 2.866 123.548 120.570 0.187 0.000 2.556 113 I HA 0.071 4.241 4.170 -0.000 0.000 0.284 113 I C 1.603 177.870 176.117 0.250 0.000 1.114 113 I CA 0.162 61.596 61.300 0.222 0.000 1.418 113 I CB 0.397 38.498 38.000 0.169 0.000 1.394 113 I HN 0.338 nan 8.210 nan 0.000 0.552 114 M N 4.629 124.415 119.600 0.310 0.000 2.062 114 M HA -0.095 4.385 4.480 -0.000 0.000 0.259 114 M C 0.386 176.804 176.300 0.197 0.000 1.076 114 M CA 1.605 57.041 55.300 0.227 0.000 1.122 114 M CB -0.319 32.289 32.600 0.014 0.000 1.312 114 M HN 0.502 nan 8.290 nan 0.000 0.412 115 N N 1.544 120.371 118.700 0.211 0.000 3.044 115 N HA 0.317 5.057 4.740 -0.000 0.000 0.254 115 N C -2.422 173.211 175.510 0.204 0.000 1.253 115 N CA -0.786 52.383 53.050 0.198 0.000 0.944 115 N CB 0.521 39.059 38.487 0.085 0.000 1.217 115 N HN 0.277 nan 8.380 nan 0.000 0.498 116 P HA 0.231 nan 4.420 nan 0.000 0.277 116 P C 0.554 177.933 177.300 0.131 0.000 1.240 116 P CA -0.383 62.798 63.100 0.135 0.000 0.798 116 P CB 2.027 33.789 31.700 0.104 0.000 0.979 117 K N 0.527 120.984 120.400 0.095 0.000 2.211 117 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 117 K C 1.971 178.625 176.600 0.089 0.000 1.047 117 K CA 1.867 58.204 56.287 0.084 0.000 0.935 117 K CB -0.309 32.221 32.500 0.050 0.000 0.728 117 K HN 0.552 nan 8.250 nan 0.000 0.452 118 S N 0.400 116.144 115.700 0.073 0.000 2.474 118 S HA -0.076 4.394 4.470 -0.000 0.000 0.235 118 S C 1.469 176.117 174.600 0.079 0.000 0.997 118 S CA 0.731 58.966 58.200 0.058 0.000 0.949 118 S CB 0.031 63.243 63.200 0.021 0.000 0.766 118 S HN 0.098 nan 8.310 nan 0.000 0.517 119 L N 1.288 122.571 121.223 0.101 0.000 2.857 119 L HA 0.443 4.783 4.340 -0.000 0.000 0.249 119 L C -0.061 176.946 176.870 0.229 0.000 1.172 119 L CA 0.465 55.343 54.840 0.063 0.000 0.980 119 L CB 0.392 42.405 42.059 -0.078 0.000 1.299 119 L HN 0.187 nan 8.230 nan 0.000 0.535 120 T N -0.470 114.261 114.554 0.295 0.000 2.856 120 T HA 0.525 4.875 4.350 -0.000 0.000 0.283 120 T C -0.520 174.283 174.700 0.172 0.000 1.008 120 T CA -0.497 61.772 62.100 0.281 0.000 0.997 120 T CB 2.269 71.252 68.868 0.192 0.000 0.992 120 T HN -0.161 nan 8.240 nan 0.000 0.454 121 R N 1.727 122.287 120.500 0.101 0.000 2.358 121 R HA 0.593 4.933 4.340 -0.000 0.000 0.309 121 R C 0.423 176.700 176.300 -0.038 0.000 1.026 121 R CA -0.419 55.621 56.100 -0.099 0.000 0.909 121 R CB 0.248 30.366 30.300 -0.303 0.000 1.153 121 R HN 0.832 nan 8.270 nan 0.000 0.515 122 G N 3.256 112.031 108.800 -0.043 0.000 2.553 122 G HA2 0.337 4.297 3.960 -0.000 0.000 0.278 122 G HA3 0.337 4.297 3.960 -0.000 0.000 0.278 122 G C -1.973 172.901 174.900 -0.043 0.000 1.349 122 G CA -0.957 44.121 45.100 -0.037 0.000 1.037 122 G HN 0.478 nan 8.290 nan 0.000 0.508 123 P HA 0.443 nan 4.420 nan 0.000 0.275 123 P C -0.210 177.069 177.300 -0.034 0.000 1.270 123 P CA -0.248 62.832 63.100 -0.032 0.000 0.791 123 P CB 0.560 32.243 31.700 -0.029 0.000 1.089 124 R N -0.847 119.634 120.500 -0.032 0.000 2.741 124 R HA 0.289 4.629 4.340 -0.000 0.000 0.274 124 R C -0.492 175.782 176.300 -0.043 0.000 1.029 124 R CA -0.563 55.514 56.100 -0.038 0.000 0.880 124 R CB 1.069 31.343 30.300 -0.043 0.000 1.264 124 R HN 0.312 nan 8.270 nan 0.000 0.465 125 D N 0.011 120.383 120.400 -0.046 0.000 2.403 125 D HA 0.157 4.797 4.640 -0.000 0.000 0.280 125 D C -0.628 175.633 176.300 -0.064 0.000 1.091 125 D CA 0.804 54.771 54.000 -0.055 0.000 0.884 125 D CB 0.914 41.690 40.800 -0.040 0.000 1.427 125 D HN 0.181 nan 8.370 nan 0.000 0.504 126 K N 0.927 121.296 120.400 -0.052 0.000 2.318 126 K HA 0.516 4.836 4.320 -0.000 0.000 0.249 126 K C -2.664 173.909 176.600 -0.045 0.000 0.942 126 K CA -1.736 54.522 56.287 -0.048 0.000 0.808 126 K CB 2.265 34.744 32.500 -0.034 0.000 1.189 126 K HN -0.228 nan 8.250 nan 0.000 0.428 127 P HA -0.029 nan 4.420 nan 0.000 0.271 127 P C -0.701 176.584 177.300 -0.026 0.000 1.238 127 P CA -0.198 62.882 63.100 -0.034 0.000 0.794 127 P CB 0.294 31.980 31.700 -0.023 0.000 0.959 128 T N 2.920 117.462 114.554 -0.020 0.000 2.817 128 T HA 0.140 4.490 4.350 -0.000 0.000 0.295 128 T C -2.102 172.593 174.700 -0.010 0.000 0.958 128 T CA -0.598 61.496 62.100 -0.011 0.000 1.157 128 T CB -0.727 68.144 68.868 0.005 0.000 0.898 128 T HN 0.287 nan 8.240 nan 0.000 0.536 129 P HA 0.031 nan 4.420 nan 0.000 0.262 129 P C 1.217 178.500 177.300 -0.028 0.000 1.182 129 P CA -0.268 62.819 63.100 -0.022 0.000 0.761 129 P CB 0.415 32.098 31.700 -0.027 0.000 0.795 130 L N 3.493 124.702 121.223 -0.024 0.000 2.051 130 L HA -0.217 4.123 4.340 -0.000 0.000 0.214 130 L C 2.256 179.095 176.870 -0.051 0.000 1.076 130 L CA 2.149 56.973 54.840 -0.027 0.000 0.758 130 L CB -1.185 40.862 42.059 -0.021 0.000 0.890 130 L HN 0.571 nan 8.230 nan 0.000 0.433 131 E N 0.309 120.475 120.200 -0.056 0.000 2.265 131 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 131 E C 1.466 177.992 176.600 -0.124 0.000 0.996 131 E CA 1.262 57.617 56.400 -0.074 0.000 0.832 131 E CB -0.201 29.464 29.700 -0.058 0.000 0.756 131 E HN 0.635 nan 8.360 nan 0.000 0.491 132 E N 0.672 120.788 120.200 -0.141 0.000 2.127 132 E HA 0.102 4.452 4.350 -0.000 0.000 0.191 132 E C 2.358 178.745 176.600 -0.355 0.000 0.964 132 E CA 0.095 56.334 56.400 -0.268 0.000 0.832 132 E CB -0.043 29.567 29.700 -0.149 0.000 0.790 132 E HN 0.133 nan 8.360 nan 0.000 0.465 133 L N 1.200 122.348 121.223 -0.126 0.000 2.017 133 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 133 L C 2.464 179.317 176.870 -0.029 0.000 1.073 133 L CA 0.763 55.596 54.840 -0.012 0.000 0.745 133 L CB -0.094 41.992 42.059 0.045 0.000 0.894 133 L HN 0.165 nan 8.230 nan 0.000 0.432 134 L N 0.371 121.549 121.223 -0.075 0.000 1.989 134 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 134 L C -0.552 176.284 176.870 -0.057 0.000 1.071 134 L CA 2.153 56.947 54.840 -0.078 0.000 0.749 134 L CB -1.605 40.410 42.059 -0.073 0.000 0.890 134 L HN 0.110 nan 8.230 nan 0.000 0.431 135 P HA -0.141 nan 4.420 nan 0.000 0.215 135 P C 1.232 178.590 177.300 0.097 0.000 1.157 135 P CA 1.543 64.622 63.100 -0.036 0.000 0.868 135 P CB -0.182 31.453 31.700 -0.109 0.000 0.788 136 H N -0.450 118.656 119.070 0.060 0.000 2.319 136 H HA -0.045 4.511 4.556 -0.000 0.000 0.299 136 H C 1.979 177.405 175.328 0.164 0.000 1.092 136 H CA 1.455 57.566 56.048 0.104 0.000 1.302 136 H CB -1.265 28.553 29.762 0.092 0.000 1.373 136 H HN 0.042 nan 8.280 nan 0.000 0.497 137 A N 1.492 124.458 122.820 0.243 0.000 1.858 137 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 137 A C 2.446 180.132 177.584 0.171 0.000 1.190 137 A CA 1.598 53.735 52.037 0.166 0.000 0.617 137 A CB -0.577 18.280 19.000 -0.238 0.000 0.827 137 A HN 0.223 nan 8.150 nan 0.000 0.443 138 I N 0.274 120.896 120.570 0.087 0.000 2.208 138 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 138 I C 2.331 178.534 176.117 0.143 0.000 1.097 138 I CA 1.716 63.070 61.300 0.090 0.000 1.363 138 I CB -1.799 36.227 38.000 0.043 0.000 1.051 138 I HN 0.481 nan 8.210 nan 0.000 0.413 139 E N 0.154 120.455 120.200 0.169 0.000 2.077 139 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 139 E C 2.166 178.882 176.600 0.192 0.000 0.989 139 E CA 1.201 57.702 56.400 0.168 0.000 0.800 139 E CB -0.301 29.507 29.700 0.180 0.000 0.746 139 E HN 0.411 nan 8.360 nan 0.000 0.452 140 F N 1.497 121.537 119.950 0.150 0.000 2.102 140 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 140 F C 1.965 177.867 175.800 0.171 0.000 1.105 140 F CA 1.266 59.370 58.000 0.173 0.000 1.239 140 F CB -0.151 38.973 39.000 0.207 0.000 0.991 140 F HN -0.108 nan 8.300 nan 0.000 0.474 141 I N 0.532 121.123 120.570 0.034 0.000 2.361 141 I HA -0.311 3.859 4.170 -0.000 0.000 0.251 141 I C 1.966 178.097 176.117 0.022 0.000 1.133 141 I CA 1.089 62.397 61.300 0.013 0.000 1.413 141 I CB -0.622 37.517 38.000 0.232 0.000 1.073 141 I HN 0.236 nan 8.210 nan 0.000 0.424 142 N N 0.366 119.104 118.700 0.064 0.000 2.331 142 N HA -0.182 4.558 4.740 -0.000 0.000 0.180 142 N C 1.820 177.253 175.510 -0.130 0.000 1.019 142 N CA 0.881 53.978 53.050 0.079 0.000 0.881 142 N CB -0.044 38.537 38.487 0.156 0.000 0.972 142 N HN 0.520 nan 8.380 nan 0.000 0.435 143 Q N -0.086 119.616 119.800 -0.164 0.000 2.020 143 Q HA -0.170 4.170 4.340 -0.000 0.000 0.198 143 Q C 2.003 177.741 176.000 -0.436 0.000 0.974 143 Q CA 1.068 56.761 55.803 -0.184 0.000 0.829 143 Q CB -0.172 28.544 28.738 -0.037 0.000 0.894 143 Q HN 0.346 nan 8.270 nan 0.000 0.433 144 Y N 0.009 119.788 120.300 -0.869 0.000 2.097 144 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 144 Y C 1.667 176.803 175.900 -1.275 0.000 1.152 144 Y CA 2.116 59.408 58.100 -1.346 0.000 1.136 144 Y CB -0.527 37.178 38.460 -1.258 0.000 0.975 144 Y HN 0.208 nan 8.280 nan 0.000 0.498 145 Y N -0.317 119.449 120.300 -0.890 0.000 2.352 145 Y HA 0.015 4.565 4.550 -0.000 0.000 0.292 145 Y C 2.523 177.701 175.900 -1.203 0.000 1.136 145 Y CA 1.199 58.601 58.100 -1.163 0.000 1.227 145 Y CB -0.729 37.116 38.460 -1.025 0.000 0.991 145 Y HN 0.228 nan 8.280 nan 0.000 0.545 146 G N -2.004 106.374 108.800 -0.702 0.000 3.026 146 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.208 146 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.208 146 G C 1.562 176.157 174.900 -0.507 0.000 1.169 146 G CA 0.637 45.467 45.100 -0.450 0.000 0.788 146 G HN 0.260 nan 8.290 nan 0.000 0.533 147 S N 0.319 115.505 115.700 -0.858 0.000 2.339 147 S HA 0.227 4.697 4.470 -0.000 0.000 0.213 147 S C 0.898 175.237 174.600 -0.435 0.000 1.033 147 S CA -0.181 57.654 58.200 -0.608 0.000 0.950 147 S CB -0.173 62.622 63.200 -0.674 0.000 0.893 147 S HN 0.303 nan 8.310 nan 0.000 0.492 148 F N 2.461 122.248 119.950 -0.272 0.000 2.646 148 F HA 0.164 4.691 4.527 0.000 0.000 0.313 148 F C 1.820 177.564 175.800 -0.092 0.000 1.256 148 F CA -0.236 57.661 58.000 -0.172 0.000 1.354 148 F CB 0.032 38.914 39.000 -0.197 0.000 1.159 148 F HN -0.016 nan 8.300 nan 0.000 0.589 149 K N 0.188 120.682 120.400 0.157 0.000 2.021 149 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 149 K C 0.143 176.790 176.600 0.077 0.000 1.047 149 K CA 1.468 57.802 56.287 0.078 0.000 0.943 149 K CB -0.101 32.434 32.500 0.058 0.000 0.725 149 K HN 0.838 nan 8.250 nan 0.000 0.439 150 E N 1.289 121.556 120.200 0.113 0.000 2.751 150 E HA 0.355 4.705 4.350 -0.000 0.000 0.219 150 E C -0.971 175.728 176.600 0.165 0.000 1.060 150 E CA -0.575 55.884 56.400 0.099 0.000 0.893 150 E CB 1.037 30.774 29.700 0.060 0.000 1.300 150 E HN 0.253 nan 8.360 nan 0.000 0.433 151 A N 3.397 126.333 122.820 0.194 0.000 2.611 151 A HA -0.188 4.132 4.320 -0.000 0.000 0.239 151 A C 0.123 177.856 177.584 0.250 0.000 0.995 151 A CA 0.602 52.797 52.037 0.265 0.000 0.813 151 A CB -0.061 19.018 19.000 0.132 0.000 0.880 151 A HN 0.603 nan 8.150 nan 0.000 0.481 152 K N 3.423 124.037 120.400 0.356 0.000 2.403 152 K HA 0.322 4.642 4.320 -0.000 0.000 0.235 152 K C 0.680 177.380 176.600 0.166 0.000 1.142 152 K CA -0.189 56.228 56.287 0.217 0.000 1.114 152 K CB 0.174 32.806 32.500 0.220 0.000 1.777 152 K HN 0.693 nan 8.250 nan 0.000 0.424 153 I N 1.609 122.252 120.570 0.121 0.000 2.145 153 I HA -0.422 3.748 4.170 -0.000 0.000 0.244 153 I C 2.505 178.614 176.117 -0.014 0.000 1.075 153 I CA 1.491 62.831 61.300 0.066 0.000 1.332 153 I CB -0.345 37.672 38.000 0.029 0.000 1.033 153 I HN 0.532 nan 8.210 nan 0.000 0.410 154 E N 1.846 122.040 120.200 -0.010 0.000 2.085 154 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 154 E C 1.738 178.306 176.600 -0.054 0.000 0.994 154 E CA 1.694 58.075 56.400 -0.032 0.000 0.801 154 E CB -0.698 28.996 29.700 -0.010 0.000 0.743 154 E HN 0.648 nan 8.360 nan 0.000 0.453 155 E N 0.152 120.325 120.200 -0.044 0.000 2.107 155 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 155 E C 2.216 178.601 176.600 -0.358 0.000 0.982 155 E CA 0.876 57.231 56.400 -0.075 0.000 0.809 155 E CB -0.355 29.392 29.700 0.078 0.000 0.756 155 E HN 0.551 nan 8.360 nan 0.000 0.459 156 H N 0.406 119.042 119.070 -0.724 0.000 2.290 156 H HA -0.154 4.402 4.556 -0.000 0.000 0.298 156 H C 1.977 177.017 175.328 -0.480 0.000 1.087 156 H CA 0.924 56.319 56.048 -1.089 0.000 1.291 156 H CB 0.220 29.646 29.762 -0.559 0.000 1.369 156 H HN 0.037 nan 8.280 nan 0.000 0.492 157 L N 0.936 122.015 121.223 -0.241 0.000 2.046 157 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 157 L C 2.910 179.708 176.870 -0.119 0.000 1.077 157 L CA 1.716 56.431 54.840 -0.208 0.000 0.747 157 L CB -1.298 40.660 42.059 -0.167 0.000 0.896 157 L HN 0.432 nan 8.230 nan 0.000 0.432 158 A N -0.704 122.057 122.820 -0.099 0.000 1.902 158 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 158 A C 2.491 180.064 177.584 -0.018 0.000 1.181 158 A CA 1.782 53.791 52.037 -0.047 0.000 0.623 158 A CB -0.458 18.527 19.000 -0.025 0.000 0.818 158 A HN 0.312 nan 8.150 nan 0.000 0.443 159 R N 0.017 120.503 120.500 -0.024 0.000 2.081 159 R HA -0.002 4.338 4.340 -0.000 0.000 0.235 159 R C 1.915 178.255 176.300 0.067 0.000 1.131 159 R CA 1.602 57.748 56.100 0.077 0.000 0.960 159 R CB -0.903 29.526 30.300 0.215 0.000 0.856 159 R HN 0.511 nan 8.270 nan 0.000 0.436 160 L N 0.407 121.651 121.223 0.035 0.000 2.012 160 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 160 L C 2.666 179.527 176.870 -0.015 0.000 1.073 160 L CA 1.884 56.735 54.840 0.018 0.000 0.748 160 L CB -0.637 41.409 42.059 -0.021 0.000 0.891 160 L HN 0.365 nan 8.230 nan 0.000 0.431 161 E N 0.271 120.456 120.200 -0.025 0.000 2.031 161 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 161 E C 2.199 178.793 176.600 -0.010 0.000 0.994 161 E CA 1.516 57.902 56.400 -0.024 0.000 0.800 161 E CB -0.003 29.681 29.700 -0.027 0.000 0.752 161 E HN 0.459 nan 8.360 nan 0.000 0.447 162 A N 0.553 123.378 122.820 0.009 0.000 1.972 162 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 162 A C 2.465 180.065 177.584 0.027 0.000 1.169 162 A CA 1.392 53.444 52.037 0.026 0.000 0.635 162 A CB -0.506 18.523 19.000 0.049 0.000 0.810 162 A HN 0.195 nan 8.150 nan 0.000 0.446 163 V N -0.478 119.443 119.914 0.011 0.000 2.379 163 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 163 V C 2.729 178.760 176.094 -0.104 0.000 1.044 163 V CA 2.352 64.622 62.300 -0.050 0.000 1.036 163 V CB -1.167 30.578 31.823 -0.130 0.000 0.664 163 V HN 0.598 nan 8.190 nan 0.000 0.453 164 T N -0.234 114.271 114.554 -0.082 0.000 2.684 164 T HA -0.279 4.071 4.350 -0.000 0.000 0.267 164 T C 1.940 176.616 174.700 -0.040 0.000 1.036 164 T CA 2.016 64.072 62.100 -0.073 0.000 1.148 164 T CB -0.205 68.632 68.868 -0.052 0.000 0.863 164 T HN 0.432 nan 8.240 nan 0.000 0.436 165 K N 0.966 121.354 120.400 -0.019 0.000 2.002 165 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 165 K C 2.399 179.006 176.600 0.011 0.000 1.048 165 K CA 1.716 58.002 56.287 -0.002 0.000 0.930 165 K CB -0.133 32.370 32.500 0.005 0.000 0.714 165 K HN 0.403 nan 8.250 nan 0.000 0.438 166 E N 0.400 120.616 120.200 0.025 0.000 2.160 166 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 166 E C 1.898 178.535 176.600 0.062 0.000 0.991 166 E CA 1.202 57.636 56.400 0.057 0.000 0.810 166 E CB -0.025 29.734 29.700 0.099 0.000 0.742 166 E HN 0.394 nan 8.360 nan 0.000 0.466 167 I N 1.395 121.982 120.570 0.028 0.000 2.193 167 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 167 I C 2.458 178.587 176.117 0.020 0.000 1.084 167 I CA 1.530 62.846 61.300 0.028 0.000 1.365 167 I CB -0.457 37.517 38.000 -0.042 0.000 1.064 167 I HN 0.229 nan 8.210 nan 0.000 0.410 168 E N 0.341 120.542 120.200 0.002 0.000 2.409 168 E HA -0.138 4.212 4.350 -0.000 0.000 0.198 168 E C 1.544 178.150 176.600 0.011 0.000 1.024 168 E CA 1.372 57.774 56.400 0.002 0.000 0.861 168 E CB -0.313 29.383 29.700 -0.007 0.000 0.788 168 E HN 0.406 nan 8.360 nan 0.000 0.521 169 T N 0.263 114.828 114.554 0.020 0.000 3.010 169 T HA -0.041 4.309 4.350 -0.000 0.000 0.252 169 T C 1.872 176.590 174.700 0.029 0.000 1.047 169 T CA 1.411 63.525 62.100 0.023 0.000 1.140 169 T CB 0.237 69.121 68.868 0.026 0.000 0.885 169 T HN 0.444 nan 8.240 nan 0.000 0.464 170 T N -2.200 112.377 114.554 0.039 0.000 2.975 170 T HA 0.556 4.906 4.350 -0.000 0.000 0.261 170 T C 1.740 176.465 174.700 0.042 0.000 0.984 170 T CA 0.814 62.940 62.100 0.043 0.000 0.911 170 T CB 0.612 69.512 68.868 0.054 0.000 1.127 170 T HN 0.451 nan 8.240 nan 0.000 0.514 171 G N 0.999 109.826 108.800 0.044 0.000 3.400 171 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.209 171 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.209 171 G C 0.359 175.301 174.900 0.069 0.000 1.411 171 G CA 0.343 45.467 45.100 0.040 0.000 0.917 171 G HN 0.879 nan 8.290 nan 0.000 0.570 172 T N 0.149 114.752 114.554 0.083 0.000 2.888 172 T HA 0.715 5.065 4.350 -0.000 0.000 0.283 172 T C -0.297 174.541 174.700 0.229 0.000 1.013 172 T CA 0.601 62.779 62.100 0.130 0.000 0.938 172 T CB 1.128 70.016 68.868 0.034 0.000 1.298 172 T HN 1.570 nan 8.240 nan 0.000 0.580 173 Y N -0.986 119.314 120.300 0.001 0.000 2.655 173 Y HA 0.720 5.270 4.550 -0.000 0.000 0.336 173 Y C -1.320 174.593 175.900 0.022 0.000 1.154 173 Y CA -1.317 56.795 58.100 0.020 0.000 1.055 173 Y CB 0.900 39.382 38.460 0.038 0.000 1.295 173 Y HN 0.357 nan 8.280 nan 0.000 0.465 174 Q N 2.225 122.025 119.800 0.000 0.000 2.312 174 Q HA 0.497 4.837 4.340 -0.000 0.000 0.263 174 Q C -1.010 174.968 176.000 -0.036 0.000 0.995 174 Q CA -0.772 54.979 55.803 -0.087 0.000 0.853 174 Q CB 2.852 31.595 28.738 0.007 0.000 1.300 174 Q HN 0.857 nan 8.270 nan 0.000 0.448 175 L N 1.748 122.919 121.223 -0.087 0.000 2.371 175 L HA 0.275 4.615 4.340 -0.000 0.000 0.272 175 L C 1.107 177.992 176.870 0.025 0.000 1.124 175 L CA -0.395 54.447 54.840 0.005 0.000 0.816 175 L CB 0.792 42.838 42.059 -0.022 0.000 1.129 175 L HN 0.680 nan 8.230 nan 0.000 0.448 176 T N -0.599 113.974 114.554 0.030 0.000 2.813 176 T HA 0.084 4.434 4.350 -0.000 0.000 0.297 176 T C 0.990 175.689 174.700 -0.002 0.000 1.036 176 T CA -0.652 61.457 62.100 0.014 0.000 1.044 176 T CB 0.965 69.834 68.868 0.002 0.000 0.993 176 T HN 0.491 nan 8.240 nan 0.000 0.535 177 L N 0.831 122.057 121.223 0.005 0.000 2.012 177 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 177 L C 1.962 178.850 176.870 0.030 0.000 1.073 177 L CA 2.030 56.872 54.840 0.004 0.000 0.748 177 L CB -1.059 41.005 42.059 0.007 0.000 0.891 177 L HN 0.731 nan 8.230 nan 0.000 0.431 178 D N -0.435 119.994 120.400 0.049 0.000 2.178 178 D HA -0.175 4.465 4.640 -0.000 0.000 0.201 178 D C 2.108 178.515 176.300 0.178 0.000 0.980 178 D CA 1.355 55.432 54.000 0.129 0.000 0.842 178 D CB -0.009 40.890 40.800 0.165 0.000 0.948 178 D HN 0.562 nan 8.370 nan 0.000 0.472 179 E N 0.117 120.283 120.200 -0.057 0.000 2.072 179 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 179 E C 2.170 178.921 176.600 0.252 0.000 0.982 179 E CA 0.047 56.391 56.400 -0.093 0.000 0.803 179 E CB 0.016 29.601 29.700 -0.192 0.000 0.755 179 E HN 0.198 nan 8.360 nan 0.000 0.453 180 L N 1.196 122.474 121.223 0.093 0.000 2.017 180 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 180 L C 2.307 179.210 176.870 0.055 0.000 1.073 180 L CA 1.363 56.205 54.840 0.003 0.000 0.745 180 L CB -0.247 41.752 42.059 -0.099 0.000 0.894 180 L HN 0.221 nan 8.230 nan 0.000 0.432 181 I N -0.769 119.862 120.570 0.103 0.000 2.163 181 I HA -0.397 3.772 4.170 -0.000 0.000 0.243 181 I C 2.459 178.706 176.117 0.216 0.000 1.085 181 I CA 1.710 63.081 61.300 0.119 0.000 1.347 181 I CB -0.395 37.683 38.000 0.129 0.000 1.044 181 I HN 0.226 nan 8.210 nan 0.000 0.408 182 F N 1.597 121.669 119.950 0.204 0.000 2.126 182 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 182 F C 2.456 178.411 175.800 0.259 0.000 1.096 182 F CA 1.482 59.649 58.000 0.279 0.000 1.255 182 F CB -0.412 38.847 39.000 0.432 0.000 0.997 182 F HN 0.023 nan 8.300 nan 0.000 0.479 183 A N 0.201 123.234 122.820 0.354 0.000 1.851 183 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 183 A C 2.310 179.863 177.584 -0.051 0.000 1.195 183 A CA 3.120 55.247 52.037 0.150 0.000 0.622 183 A CB -1.731 17.281 19.000 0.020 0.000 0.831 183 A HN 0.551 nan 8.150 nan 0.000 0.444 184 T N -1.359 113.179 114.554 -0.027 0.000 2.684 184 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 184 T C 1.813 176.585 174.700 0.120 0.000 1.036 184 T CA 1.777 63.889 62.100 0.020 0.000 1.148 184 T CB -0.437 68.450 68.868 0.031 0.000 0.863 184 T HN 0.558 nan 8.240 nan 0.000 0.436 185 K N 0.225 120.702 120.400 0.129 0.000 2.057 185 K HA 0.047 4.367 4.320 -0.000 0.000 0.207 185 K C 2.570 179.236 176.600 0.111 0.000 1.049 185 K CA 1.351 57.795 56.287 0.263 0.000 0.931 185 K CB -0.257 32.412 32.500 0.282 0.000 0.714 185 K HN 0.251 nan 8.250 nan 0.000 0.440 186 M N 0.351 119.852 119.600 -0.164 0.000 2.175 186 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 186 M C 2.386 178.550 176.300 -0.226 0.000 1.063 186 M CA 1.303 56.414 55.300 -0.315 0.000 1.119 186 M CB -0.926 31.398 32.600 -0.459 0.000 1.377 186 M HN 0.164 nan 8.290 nan 0.000 0.415 187 A N -0.954 121.716 122.820 -0.250 0.000 1.969 187 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 187 A C 1.976 179.397 177.584 -0.271 0.000 1.169 187 A CA 1.298 53.040 52.037 -0.492 0.000 0.635 187 A CB -1.005 17.332 19.000 -1.104 0.000 0.810 187 A HN 0.676 nan 8.150 nan 0.000 0.445 188 W N 0.871 122.101 121.300 -0.116 0.000 2.407 188 W HA -0.064 4.596 4.660 -0.000 0.000 0.305 188 W C 2.243 178.679 176.519 -0.139 0.000 1.196 188 W CA 1.336 58.674 57.345 -0.012 0.000 1.311 188 W CB -0.722 28.731 29.460 -0.012 0.000 1.135 188 W HN 0.328 nan 8.180 nan 0.000 0.514 189 R N 0.386 120.792 120.500 -0.158 0.000 2.139 189 R HA -0.185 4.155 4.340 -0.000 0.000 0.243 189 R C 1.133 177.267 176.300 -0.276 0.000 1.145 189 R CA 1.808 57.657 56.100 -0.418 0.000 0.976 189 R CB -0.490 29.422 30.300 -0.648 0.000 0.866 189 R HN 0.091 nan 8.270 nan 0.000 0.449 190 N N -0.035 118.540 118.700 -0.208 0.000 2.314 190 N HA 0.064 4.804 4.740 -0.000 0.000 0.200 190 N C -0.816 174.583 175.510 -0.185 0.000 1.135 190 N CA 0.380 53.339 53.050 -0.152 0.000 0.835 190 N CB 1.142 39.601 38.487 -0.047 0.000 0.989 190 N HN 0.138 nan 8.380 nan 0.000 0.478 191 A N 2.335 125.032 122.820 -0.205 0.000 2.539 191 A HA 0.251 4.571 4.320 -0.000 0.000 0.306 191 A C -0.966 176.526 177.584 -0.154 0.000 1.392 191 A CA -1.153 50.713 52.037 -0.286 0.000 1.060 191 A CB 0.434 19.347 19.000 -0.144 0.000 1.134 191 A HN -0.008 nan 8.150 nan 0.000 0.542 192 P HA -0.183 nan 4.420 nan 0.000 0.221 192 P C 0.783 178.042 177.300 -0.069 0.000 1.145 192 P CA 1.144 64.192 63.100 -0.086 0.000 0.795 192 P CB 0.209 31.857 31.700 -0.086 0.000 0.775 193 R N -1.622 118.799 120.500 -0.131 0.000 2.362 193 R HA 0.167 4.507 4.340 -0.000 0.000 0.227 193 R C 0.649 176.980 176.300 0.052 0.000 0.905 193 R CA -0.227 55.842 56.100 -0.051 0.000 1.067 193 R CB -0.158 29.935 30.300 -0.345 0.000 1.078 193 R HN 0.172 nan 8.270 nan 0.000 0.516 194 C N 0.451 119.755 119.300 0.007 0.000 2.330 194 C HA 0.366 4.826 4.460 -0.000 0.000 0.344 194 C C 1.666 176.660 174.990 0.006 0.000 1.273 194 C CA -0.698 58.352 59.018 0.052 0.000 1.879 194 C CB -0.047 27.783 27.740 0.149 0.000 2.376 194 C HN 0.544 nan 8.230 nan 0.000 0.534 195 I N 3.789 124.331 120.570 -0.046 0.000 3.645 195 I HA 0.221 4.391 4.170 -0.000 0.000 0.300 195 I C 1.941 178.129 176.117 0.118 0.000 1.260 195 I CA 0.870 62.089 61.300 -0.135 0.000 1.365 195 I CB 0.117 37.986 38.000 -0.218 0.000 1.077 195 I HN 0.924 nan 8.210 nan 0.000 0.439 196 G N 0.410 109.271 108.800 0.102 0.000 3.088 196 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.212 196 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.212 196 G C 1.242 176.156 174.900 0.023 0.000 1.173 196 G CA -0.319 44.833 45.100 0.087 0.000 0.779 196 G HN 0.286 nan 8.290 nan 0.000 0.540 197 R N -0.103 120.333 120.500 -0.106 0.000 2.417 197 R HA -0.003 4.337 4.340 -0.000 0.000 0.220 197 R C 1.847 177.591 176.300 -0.927 0.000 1.128 197 R CA 0.402 56.097 56.100 -0.675 0.000 1.048 197 R CB -0.321 29.647 30.300 -0.554 0.000 0.835 197 R HN 0.463 nan 8.270 nan 0.000 0.483 198 I N 0.797 121.021 120.570 -0.577 0.000 3.111 198 I HA -0.152 4.018 4.170 -0.000 0.000 0.272 198 I C 1.219 177.221 176.117 -0.191 0.000 1.268 198 I CA 0.868 61.984 61.300 -0.307 0.000 1.467 198 I CB 0.203 38.180 38.000 -0.038 0.000 1.087 198 I HN 0.119 nan 8.210 nan 0.000 0.467 199 Q N 0.511 120.141 119.800 -0.284 0.000 2.319 199 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 199 Q C 1.528 177.210 176.000 -0.530 0.000 0.896 199 Q CA 0.103 55.781 55.803 -0.209 0.000 0.942 199 Q CB -0.108 28.663 28.738 0.055 0.000 1.083 199 Q HN 0.758 nan 8.270 nan 0.000 0.510 200 W N 1.271 121.887 121.300 -1.141 0.000 2.308 200 W HA -0.246 4.414 4.660 0.000 0.000 0.301 200 W C 1.229 177.527 176.519 -0.368 0.000 1.220 200 W CA 1.647 58.203 57.345 -1.317 0.000 1.240 200 W CB -1.292 27.538 29.460 -1.050 0.000 1.142 200 W HN 0.163 nan 8.180 nan 0.000 0.521 201 S N 0.546 115.484 115.700 -1.270 0.000 2.561 201 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 201 S C 0.214 174.595 174.600 -0.365 0.000 0.977 201 S CA 0.308 57.897 58.200 -1.019 0.000 0.926 201 S CB -0.987 61.434 63.200 -1.298 0.000 0.769 201 S HN 0.375 nan 8.310 nan 0.000 0.533 202 N N 1.440 120.034 118.700 -0.176 0.000 2.817 202 N HA 0.596 5.336 4.740 -0.000 0.000 0.234 202 N C -1.428 174.170 175.510 0.147 0.000 1.066 202 N CA -0.400 52.653 53.050 0.005 0.000 0.926 202 N CB 1.252 39.766 38.487 0.044 0.000 1.176 202 N HN 0.231 nan 8.380 nan 0.000 0.506 203 L N 1.262 122.544 121.223 0.099 0.000 2.493 203 L HA 0.395 4.735 4.340 -0.000 0.000 0.265 203 L C -1.346 175.500 176.870 -0.041 0.000 0.954 203 L CA -0.708 54.173 54.840 0.069 0.000 0.844 203 L CB 2.071 44.219 42.059 0.147 0.000 1.302 203 L HN 0.236 nan 8.230 nan 0.000 0.405 204 Q N 2.872 122.594 119.800 -0.130 0.000 2.274 204 Q HA 0.607 4.947 4.340 -0.000 0.000 0.256 204 Q C -1.589 174.103 176.000 -0.512 0.000 0.927 204 Q CA -0.234 55.357 55.803 -0.353 0.000 0.939 204 Q CB 1.497 29.894 28.738 -0.568 0.000 1.201 204 Q HN 0.525 nan 8.270 nan 0.000 0.426 205 V N 5.671 125.321 119.914 -0.440 0.000 2.347 205 V HA 0.409 4.529 4.120 -0.000 0.000 0.280 205 V C -0.769 175.118 176.094 -0.346 0.000 1.021 205 V CA -0.622 61.464 62.300 -0.358 0.000 0.847 205 V CB 0.502 32.221 31.823 -0.173 0.000 0.990 205 V HN 0.624 nan 8.190 nan 0.000 0.444 206 F N 2.630 122.459 119.950 -0.201 0.000 2.334 206 F HA 0.361 4.888 4.527 -0.000 0.000 0.367 206 F C 0.585 176.196 175.800 -0.315 0.000 1.115 206 F CA -1.542 56.318 58.000 -0.235 0.000 1.116 206 F CB 0.931 39.796 39.000 -0.224 0.000 1.230 206 F HN 0.450 nan 8.300 nan 0.000 0.484 207 D N 3.392 123.759 120.400 -0.055 0.000 2.383 207 D HA 0.312 4.952 4.640 -0.000 0.000 0.245 207 D C 0.374 176.503 176.300 -0.285 0.000 1.263 207 D CA 0.241 54.140 54.000 -0.168 0.000 0.936 207 D CB 0.797 41.544 40.800 -0.089 0.000 1.053 207 D HN 0.588 nan 8.370 nan 0.000 0.507 208 A N 4.430 126.940 122.820 -0.518 0.000 2.630 208 A HA 0.147 4.467 4.320 -0.000 0.000 0.290 208 A C 1.720 179.050 177.584 -0.422 0.000 1.267 208 A CA -0.374 51.193 52.037 -0.785 0.000 0.950 208 A CB 0.065 18.114 19.000 -1.585 0.000 1.144 208 A HN 0.478 nan 8.150 nan 0.000 0.527 209 R N 0.556 120.907 120.500 -0.248 0.000 2.237 209 R HA -0.122 4.218 4.340 -0.000 0.000 0.219 209 R C 1.063 177.302 176.300 -0.102 0.000 1.080 209 R CA 1.431 57.451 56.100 -0.133 0.000 0.995 209 R CB -0.075 30.197 30.300 -0.046 0.000 0.875 209 R HN 0.761 nan 8.270 nan 0.000 0.462 210 N N -0.705 117.951 118.700 -0.072 0.000 2.336 210 N HA -0.045 4.695 4.740 -0.000 0.000 0.189 210 N C 0.345 175.877 175.510 0.036 0.000 1.113 210 N CA -0.209 52.837 53.050 -0.007 0.000 0.858 210 N CB -0.166 38.332 38.487 0.018 0.000 0.970 210 N HN 0.019 nan 8.380 nan 0.000 0.471 211 C N 0.948 120.264 119.300 0.027 0.000 2.679 211 C HA 0.416 4.876 4.460 -0.000 0.000 0.417 211 C C 1.570 176.677 174.990 0.195 0.000 1.302 211 C CA 0.531 59.645 59.018 0.160 0.000 1.973 211 C CB -0.109 27.791 27.740 0.266 0.000 2.715 211 C HN 0.673 nan 8.230 nan 0.000 0.628 212 S N 1.300 117.194 115.700 0.324 0.000 2.733 212 S HA 0.213 4.683 4.470 -0.000 0.000 0.270 212 S C 0.038 174.812 174.600 0.291 0.000 1.062 212 S CA 0.313 58.752 58.200 0.397 0.000 1.256 212 S CB -0.198 63.135 63.200 0.221 0.000 1.187 212 S HN 1.028 nan 8.310 nan 0.000 0.666 213 T N -0.962 113.740 114.554 0.247 0.000 2.916 213 T HA 0.863 5.213 4.350 -0.000 0.000 0.292 213 T C 1.208 175.988 174.700 0.134 0.000 1.055 213 T CA -0.264 61.917 62.100 0.135 0.000 1.009 213 T CB 1.488 70.414 68.868 0.095 0.000 1.118 213 T HN 0.198 nan 8.240 nan 0.000 0.497 214 A N 0.652 123.527 122.820 0.092 0.000 1.877 214 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 214 A C 2.291 179.848 177.584 -0.045 0.000 1.186 214 A CA 2.064 54.172 52.037 0.118 0.000 0.620 214 A CB -1.192 17.986 19.000 0.297 0.000 0.822 214 A HN 0.865 nan 8.150 nan 0.000 0.443 215 Q N -0.034 119.751 119.800 -0.025 0.000 2.135 215 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 215 Q C 1.825 177.782 176.000 -0.072 0.000 0.981 215 Q CA 2.290 58.004 55.803 -0.149 0.000 0.856 215 Q CB -0.336 28.415 28.738 0.022 0.000 0.902 215 Q HN 0.766 nan 8.270 nan 0.000 0.425 216 E N -0.989 119.224 120.200 0.023 0.000 2.107 216 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 216 E C 1.916 178.630 176.600 0.190 0.000 0.982 216 E CA 0.976 57.419 56.400 0.071 0.000 0.809 216 E CB -0.048 29.745 29.700 0.155 0.000 0.756 216 E HN 0.447 nan 8.360 nan 0.000 0.459 217 M N -0.119 119.609 119.600 0.213 0.000 2.067 217 M HA -0.174 4.306 4.480 -0.000 0.000 0.260 217 M C 2.173 178.616 176.300 0.238 0.000 1.069 217 M CA 1.233 56.687 55.300 0.255 0.000 1.117 217 M CB -0.321 32.235 32.600 -0.073 0.000 1.334 217 M HN 0.174 nan 8.290 nan 0.000 0.407 218 F N 1.462 121.304 119.950 -0.179 0.000 2.115 218 F HA -0.306 4.221 4.527 -0.000 0.000 0.300 218 F C 2.210 177.939 175.800 -0.120 0.000 1.092 218 F CA 1.949 59.789 58.000 -0.266 0.000 1.245 218 F CB -0.675 37.863 39.000 -0.770 0.000 0.995 218 F HN 0.221 nan 8.300 nan 0.000 0.481 219 Q N -1.398 118.243 119.800 -0.266 0.000 2.123 219 Q HA -0.178 4.162 4.340 -0.000 0.000 0.199 219 Q C 2.273 178.132 176.000 -0.235 0.000 0.966 219 Q CA 1.424 57.005 55.803 -0.369 0.000 0.845 219 Q CB -0.346 28.201 28.738 -0.318 0.000 0.907 219 Q HN 0.475 nan 8.270 nan 0.000 0.439 220 H N 0.161 119.206 119.070 -0.042 0.000 2.353 220 H HA -0.077 4.479 4.556 0.000 0.000 0.300 220 H C 2.085 177.419 175.328 0.010 0.000 1.090 220 H CA 1.239 57.266 56.048 -0.034 0.000 1.327 220 H CB -0.007 29.800 29.762 0.074 0.000 1.383 220 H HN 0.259 nan 8.280 nan 0.000 0.508 221 I N -0.125 120.597 120.570 0.253 0.000 2.179 221 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 221 I C 2.654 178.845 176.117 0.124 0.000 1.088 221 I CA 0.868 62.309 61.300 0.234 0.000 1.357 221 I CB -0.250 37.907 38.000 0.262 0.000 1.051 221 I HN 0.226 nan 8.210 nan 0.000 0.409 222 C N 0.278 119.544 119.300 -0.056 0.000 2.429 222 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 222 C C 2.965 177.920 174.990 -0.058 0.000 1.262 222 C CA 0.946 59.893 59.018 -0.117 0.000 1.733 222 C CB -1.238 26.304 27.740 -0.331 0.000 2.010 222 C HN 0.486 nan 8.230 nan 0.000 0.483 223 R N 0.032 120.475 120.500 -0.094 0.000 2.105 223 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 223 R C 2.346 178.637 176.300 -0.014 0.000 1.135 223 R CA 1.666 57.690 56.100 -0.125 0.000 0.967 223 R CB -0.718 29.414 30.300 -0.281 0.000 0.861 223 R HN 0.736 nan 8.270 nan 0.000 0.442 224 H N 0.491 119.549 119.070 -0.021 0.000 2.276 224 H HA -0.095 4.461 4.556 -0.000 0.000 0.301 224 H C 2.160 177.622 175.328 0.224 0.000 1.073 224 H CA 2.162 58.335 56.048 0.208 0.000 1.311 224 H CB -0.074 29.812 29.762 0.206 0.000 1.379 224 H HN 0.217 nan 8.280 nan 0.000 0.494 225 I N 0.660 121.288 120.570 0.096 0.000 2.194 225 I HA -0.308 3.862 4.170 -0.000 0.000 0.246 225 I C 2.770 178.895 176.117 0.014 0.000 1.093 225 I CA 0.879 62.188 61.300 0.015 0.000 1.355 225 I CB -0.296 37.732 38.000 0.047 0.000 1.046 225 I HN 0.252 nan 8.210 nan 0.000 0.413 226 L N 0.379 121.624 121.223 0.038 0.000 1.994 226 L HA -0.274 4.066 4.340 -0.000 0.000 0.208 226 L C 2.526 179.431 176.870 0.058 0.000 1.071 226 L CA 1.957 56.817 54.840 0.033 0.000 0.745 226 L CB -1.051 41.020 42.059 0.019 0.000 0.892 226 L HN 0.251 nan 8.230 nan 0.000 0.431 227 Y N 0.174 120.491 120.300 0.029 0.000 2.145 227 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 227 Y C 2.378 178.305 175.900 0.044 0.000 1.145 227 Y CA 2.115 60.270 58.100 0.091 0.000 1.148 227 Y CB -0.690 37.945 38.460 0.293 0.000 0.981 227 Y HN 0.263 nan 8.280 nan 0.000 0.507 228 A N -0.292 122.583 122.820 0.092 0.000 1.865 228 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 228 A C 2.234 179.771 177.584 -0.077 0.000 1.191 228 A CA 2.638 54.652 52.037 -0.037 0.000 0.623 228 A CB -1.498 17.401 19.000 -0.167 0.000 0.826 228 A HN 0.544 nan 8.150 nan 0.000 0.444 229 T N -0.196 114.330 114.554 -0.047 0.000 2.684 229 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 229 T C 1.219 175.887 174.700 -0.053 0.000 1.036 229 T CA 1.532 63.621 62.100 -0.018 0.000 1.148 229 T CB -0.495 68.372 68.868 -0.002 0.000 0.863 229 T HN 0.641 nan 8.240 nan 0.000 0.436 230 N N 1.683 120.322 118.700 -0.102 0.000 2.710 230 N HA -0.264 4.476 4.740 -0.000 0.000 0.249 230 N C -0.113 175.354 175.510 -0.070 0.000 1.059 230 N CA 0.873 53.850 53.050 -0.120 0.000 0.720 230 N CB -2.174 36.200 38.487 -0.189 0.000 0.983 230 N HN 0.665 nan 8.380 nan 0.000 0.544 231 N N -1.611 117.062 118.700 -0.046 0.000 2.696 231 N HA -0.242 4.498 4.740 -0.000 0.000 0.256 231 N C 1.006 176.494 175.510 -0.037 0.000 1.031 231 N CA 1.267 54.295 53.050 -0.036 0.000 0.730 231 N CB -1.213 37.253 38.487 -0.036 0.000 0.894 231 N HN 0.973 nan 8.380 nan 0.000 0.544 232 G N 0.673 109.457 108.800 -0.025 0.000 2.729 232 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.216 232 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.216 232 G C 0.228 175.118 174.900 -0.017 0.000 1.252 232 G CA 0.296 45.385 45.100 -0.019 0.000 0.751 232 G HN 0.564 nan 8.290 nan 0.000 0.527 233 N N 2.620 121.293 118.700 -0.045 0.000 3.127 233 N HA 0.263 5.003 4.740 -0.000 0.000 0.317 233 N C 0.943 176.423 175.510 -0.050 0.000 1.242 233 N CA -0.241 52.769 53.050 -0.067 0.000 1.203 233 N CB -0.633 37.809 38.487 -0.076 0.000 1.462 233 N HN 0.438 nan 8.380 nan 0.000 0.546 234 I N 1.169 121.743 120.570 0.007 0.000 3.075 234 I HA -0.205 3.965 4.170 -0.000 0.000 0.320 234 I C 0.855 177.062 176.117 0.150 0.000 1.211 234 I CA 1.081 62.439 61.300 0.096 0.000 1.463 234 I CB -0.194 37.953 38.000 0.244 0.000 1.308 234 I HN 0.328 nan 8.210 nan 0.000 0.553 235 R N 3.800 124.360 120.500 0.100 0.000 2.599 235 R HA 0.367 4.707 4.340 -0.000 0.000 0.295 235 R C -0.409 175.991 176.300 0.168 0.000 0.963 235 R CA -0.665 55.515 56.100 0.134 0.000 0.883 235 R CB 1.926 32.174 30.300 -0.086 0.000 1.171 235 R HN 0.556 nan 8.270 nan 0.000 0.450 236 S N 1.484 117.282 115.700 0.164 0.000 2.533 236 S HA 0.468 4.938 4.470 -0.000 0.000 0.282 236 S C -0.389 174.228 174.600 0.028 0.000 1.304 236 S CA -0.161 58.033 58.200 -0.009 0.000 1.063 236 S CB 1.135 64.261 63.200 -0.123 0.000 0.881 236 S HN 0.684 nan 8.310 nan 0.000 0.493 237 A N 3.124 125.942 122.820 -0.003 0.000 2.612 237 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 237 A C -1.339 176.335 177.584 0.149 0.000 1.075 237 A CA -0.635 51.401 52.037 -0.001 0.000 0.680 237 A CB 1.159 20.180 19.000 0.036 0.000 1.279 237 A HN 0.784 nan 8.150 nan 0.000 0.411 238 I N 0.622 121.163 120.570 -0.048 0.000 2.656 238 I HA 0.596 4.766 4.170 -0.000 0.000 0.292 238 I C -1.095 174.883 176.117 -0.233 0.000 1.144 238 I CA -0.198 61.041 61.300 -0.102 0.000 1.038 238 I CB 2.397 40.341 38.000 -0.093 0.000 1.244 238 I HN 0.589 nan 8.210 nan 0.000 0.420 239 T N 6.539 120.871 114.554 -0.371 0.000 2.821 239 T HA 0.356 4.706 4.350 -0.000 0.000 0.307 239 T C -0.461 173.968 174.700 -0.450 0.000 1.034 239 T CA -0.308 61.561 62.100 -0.386 0.000 0.953 239 T CB 0.979 69.558 68.868 -0.482 0.000 0.968 239 T HN 0.264 nan 8.240 nan 0.000 0.462 240 V N 5.423 125.074 119.914 -0.440 0.000 2.408 240 V HA 0.398 4.518 4.120 -0.000 0.000 0.267 240 V C -0.080 175.728 176.094 -0.477 0.000 1.047 240 V CA -0.581 61.485 62.300 -0.390 0.000 0.937 240 V CB -0.419 31.136 31.823 -0.447 0.000 0.999 240 V HN 0.671 nan 8.190 nan 0.000 0.472 241 F N 5.360 125.242 119.950 -0.114 0.000 2.375 241 F HA 0.495 5.022 4.527 -0.000 0.000 0.317 241 F C -1.819 173.906 175.800 -0.124 0.000 1.124 241 F CA -2.431 55.457 58.000 -0.186 0.000 1.050 241 F CB 0.383 39.295 39.000 -0.146 0.000 1.314 241 F HN 0.297 nan 8.300 nan 0.000 0.511 242 P HA -0.026 nan 4.420 nan 0.000 0.262 242 P C -1.029 176.258 177.300 -0.022 0.000 1.182 242 P CA 0.020 62.992 63.100 -0.212 0.000 0.761 242 P CB 0.151 31.459 31.700 -0.653 0.000 0.795 243 Q N 3.337 123.086 119.800 -0.085 0.000 2.524 243 Q HA 0.075 4.415 4.340 -0.000 0.000 0.246 243 Q C 0.150 176.042 176.000 -0.181 0.000 1.063 243 Q CA -0.481 55.063 55.803 -0.432 0.000 0.945 243 Q CB 0.638 28.837 28.738 -0.898 0.000 1.292 243 Q HN 0.327 nan 8.270 nan 0.000 0.518 244 R N 0.985 121.364 120.500 -0.202 0.000 2.442 244 R HA 0.033 4.373 4.340 -0.000 0.000 0.291 244 R C 0.189 176.446 176.300 -0.071 0.000 1.069 244 R CA 0.659 56.719 56.100 -0.067 0.000 1.022 244 R CB 0.595 30.851 30.300 -0.073 0.000 0.976 244 R HN 0.921 nan 8.270 nan 0.000 0.443 245 S N 2.811 118.510 115.700 -0.002 0.000 2.500 245 S HA -0.062 4.408 4.470 -0.000 0.000 0.174 245 S C 1.059 175.637 174.600 -0.037 0.000 0.857 245 S CA 0.337 58.535 58.200 -0.004 0.000 0.905 245 S CB -0.209 63.033 63.200 0.070 0.000 0.819 245 S HN 0.824 nan 8.310 nan 0.000 0.557 246 D N 0.311 120.664 120.400 -0.078 0.000 2.333 246 D HA 0.223 4.863 4.640 -0.000 0.000 0.208 246 D C 1.457 177.682 176.300 -0.125 0.000 0.984 246 D CA 1.048 54.974 54.000 -0.124 0.000 0.873 246 D CB -0.127 40.549 40.800 -0.206 0.000 0.935 246 D HN 0.905 nan 8.370 nan 0.000 0.521 247 G N 1.071 109.806 108.800 -0.108 0.000 2.201 247 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.212 247 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.212 247 G C 0.815 175.671 174.900 -0.073 0.000 0.994 247 G CA 0.260 45.317 45.100 -0.072 0.000 0.644 247 G HN 0.453 nan 8.290 nan 0.000 0.508 248 K N 0.117 120.419 120.400 -0.164 0.000 2.469 248 K HA 0.292 4.612 4.320 -0.000 0.000 0.204 248 K C 0.264 176.897 176.600 0.054 0.000 1.047 248 K CA -0.262 55.960 56.287 -0.108 0.000 1.072 248 K CB 0.248 32.652 32.500 -0.160 0.000 0.863 248 K HN 0.324 nan 8.250 nan 0.000 0.530 249 H N 0.253 119.337 119.070 0.023 0.000 2.591 249 H HA 0.242 4.798 4.556 0.000 0.000 0.241 249 H C -1.134 174.227 175.328 0.055 0.000 1.292 249 H CA -0.851 55.209 56.048 0.019 0.000 1.022 249 H CB 0.094 29.884 29.762 0.046 0.000 1.875 249 H HN 0.083 nan 8.280 nan 0.000 0.570 250 D N 0.478 120.970 120.400 0.153 0.000 2.304 250 D HA 0.095 4.735 4.640 -0.000 0.000 0.250 250 D C 0.100 176.463 176.300 0.106 0.000 1.107 250 D CA -0.041 54.061 54.000 0.170 0.000 0.885 250 D CB 1.007 41.883 40.800 0.125 0.000 1.192 250 D HN 0.036 nan 8.370 nan 0.000 0.436 251 F N 2.486 122.481 119.950 0.075 0.000 2.411 251 F HA 0.324 4.851 4.527 -0.000 0.000 0.355 251 F C 0.979 176.803 175.800 0.039 0.000 1.117 251 F CA -0.247 57.770 58.000 0.029 0.000 1.139 251 F CB 0.723 39.728 39.000 0.008 0.000 1.120 251 F HN -0.150 nan 8.300 nan 0.000 0.493 252 R N 3.634 124.231 120.500 0.162 0.000 2.651 252 R HA 0.527 4.867 4.340 -0.000 0.000 0.278 252 R C -1.698 174.754 176.300 0.254 0.000 1.010 252 R CA -1.150 55.064 56.100 0.191 0.000 0.896 252 R CB 2.254 32.670 30.300 0.192 0.000 1.211 252 R HN 0.467 nan 8.270 nan 0.000 0.456 253 L N 1.808 123.158 121.223 0.213 0.000 2.282 253 L HA 0.369 4.710 4.340 -0.000 0.000 0.288 253 L C 0.535 177.624 176.870 0.366 0.000 1.033 253 L CA -0.123 54.859 54.840 0.237 0.000 0.807 253 L CB 0.810 42.934 42.059 0.108 0.000 1.209 253 L HN 0.572 nan 8.230 nan 0.000 0.423 254 W N 0.806 122.164 121.300 0.096 0.000 3.180 254 W HA 0.094 4.754 4.660 0.000 0.000 0.254 254 W C 0.406 176.965 176.519 0.067 0.000 1.318 254 W CA -0.657 56.829 57.345 0.236 0.000 1.608 254 W CB -1.103 28.623 29.460 0.444 0.000 1.124 254 W HN 0.489 nan 8.180 nan 0.000 0.694 255 N N -0.694 118.045 118.700 0.066 0.000 2.513 255 N HA 0.106 4.846 4.740 -0.000 0.000 0.274 255 N C 1.151 176.490 175.510 -0.285 0.000 1.189 255 N CA 0.205 53.036 53.050 -0.365 0.000 0.975 255 N CB 0.984 39.379 38.487 -0.154 0.000 1.157 255 N HN -0.297 nan 8.380 nan 0.000 0.465 256 S N 0.161 115.641 115.700 -0.366 0.000 2.355 256 S HA -0.131 4.339 4.470 -0.000 0.000 0.222 256 S C 0.393 174.891 174.600 -0.169 0.000 1.031 256 S CA 1.127 59.204 58.200 -0.206 0.000 0.993 256 S CB -0.329 62.778 63.200 -0.155 0.000 0.859 256 S HN 0.764 nan 8.310 nan 0.000 0.453 257 Q N -1.126 118.568 119.800 -0.178 0.000 2.511 257 Q HA 0.491 4.831 4.340 -0.000 0.000 0.289 257 Q C -0.159 175.736 176.000 -0.174 0.000 1.021 257 Q CA -0.944 54.757 55.803 -0.171 0.000 0.785 257 Q CB 0.725 29.387 28.738 -0.127 0.000 1.472 257 Q HN -0.113 nan 8.270 nan 0.000 0.411 258 L N 0.416 121.552 121.223 -0.145 0.000 1.951 258 L HA -0.104 4.236 4.340 -0.000 0.000 0.222 258 L C 0.801 177.552 176.870 -0.198 0.000 1.078 258 L CA 1.954 56.733 54.840 -0.101 0.000 0.778 258 L CB -0.611 41.432 42.059 -0.027 0.000 0.893 258 L HN 0.663 nan 8.230 nan 0.000 0.436 259 I N -1.194 119.150 120.570 -0.377 0.000 2.353 259 I HA 0.439 4.609 4.170 -0.000 0.000 0.293 259 I C -0.036 175.457 176.117 -1.040 0.000 0.992 259 I CA -0.006 60.889 61.300 -0.674 0.000 1.268 259 I CB 1.321 38.814 38.000 -0.845 0.000 1.387 259 I HN 0.100 nan 8.210 nan 0.000 0.478 260 R N 4.727 124.758 120.500 -0.782 0.000 2.678 260 R HA 0.370 4.710 4.340 -0.000 0.000 0.267 260 R C -1.737 174.393 176.300 -0.283 0.000 1.173 260 R CA -0.682 55.110 56.100 -0.512 0.000 1.061 260 R CB 0.503 30.672 30.300 -0.217 0.000 1.262 260 R HN 0.326 nan 8.270 nan 0.000 0.427 261 Y N 1.679 122.019 120.300 0.066 0.000 2.426 261 Y HA 0.472 5.022 4.550 -0.000 0.000 0.344 261 Y C 1.196 177.117 175.900 0.035 0.000 1.256 261 Y CA 0.434 58.596 58.100 0.102 0.000 1.451 261 Y CB 0.526 39.121 38.460 0.225 0.000 1.342 261 Y HN 0.700 nan 8.280 nan 0.000 0.600 262 A N 0.581 123.493 122.820 0.154 0.000 2.264 262 A HA 0.778 5.098 4.320 -0.000 0.000 0.304 262 A C 0.236 177.619 177.584 -0.335 0.000 1.100 262 A CA 0.026 51.971 52.037 -0.153 0.000 0.839 262 A CB 0.277 19.128 19.000 -0.248 0.000 1.121 262 A HN 0.907 nan 8.150 nan 0.000 0.496 263 G N -0.277 108.221 108.800 -0.504 0.000 2.707 263 G HA2 0.593 4.553 3.960 -0.000 0.000 0.299 263 G HA3 0.593 4.553 3.960 -0.000 0.000 0.299 263 G C -1.429 173.200 174.900 -0.451 0.000 1.442 263 G CA -0.279 44.579 45.100 -0.403 0.000 1.009 263 G HN 0.537 nan 8.290 nan 0.000 0.515 264 Y N -0.001 120.328 120.300 0.049 0.000 2.499 264 Y HA 0.543 5.093 4.550 -0.000 0.000 0.347 264 Y C 0.321 176.272 175.900 0.085 0.000 0.987 264 Y CA -1.200 56.945 58.100 0.075 0.000 1.044 264 Y CB 2.428 40.959 38.460 0.119 0.000 1.245 264 Y HN 0.480 nan 8.280 nan 0.000 0.461 265 Q N 3.923 123.865 119.800 0.238 0.000 2.490 265 Q HA 0.347 4.687 4.340 -0.000 0.000 0.226 265 Q C -0.687 175.407 176.000 0.157 0.000 1.132 265 Q CA -0.291 55.605 55.803 0.154 0.000 0.928 265 Q CB 0.363 29.162 28.738 0.101 0.000 1.299 265 Q HN 0.709 nan 8.270 nan 0.000 0.528 266 M N 4.294 123.982 119.600 0.147 0.000 2.245 266 M HA 0.019 4.499 4.480 -0.000 0.000 0.312 266 M C -1.167 175.157 176.300 0.039 0.000 1.070 266 M CA -1.075 54.278 55.300 0.087 0.000 1.162 266 M CB 0.168 32.807 32.600 0.064 0.000 1.448 266 M HN 0.495 nan 8.290 nan 0.000 0.446 267 P HA -0.211 nan 4.420 nan 0.000 0.216 267 P C 0.307 177.605 177.300 -0.005 0.000 1.153 267 P CA 1.666 64.757 63.100 -0.014 0.000 0.858 267 P CB -0.395 31.277 31.700 -0.047 0.000 0.789 268 D N -1.289 119.108 120.400 -0.004 0.000 2.346 268 D HA 0.054 4.694 4.640 -0.000 0.000 0.248 268 D C 1.389 177.696 176.300 0.011 0.000 1.173 268 D CA 0.639 54.639 54.000 0.000 0.000 0.878 268 D CB -0.769 40.029 40.800 -0.003 0.000 0.919 268 D HN 0.310 nan 8.370 nan 0.000 0.513 269 G N 0.923 109.734 108.800 0.017 0.000 2.304 269 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.252 269 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.252 269 G C 0.798 175.716 174.900 0.030 0.000 1.014 269 G CA 0.818 45.931 45.100 0.023 0.000 0.619 269 G HN 0.700 nan 8.290 nan 0.000 0.525 270 T N -0.822 113.751 114.554 0.032 0.000 2.773 270 T HA 0.624 4.974 4.350 -0.000 0.000 0.337 270 T C 0.453 175.183 174.700 0.051 0.000 1.086 270 T CA 0.408 62.530 62.100 0.037 0.000 0.998 270 T CB 1.247 70.136 68.868 0.034 0.000 1.281 270 T HN 0.852 nan 8.240 nan 0.000 0.525 271 I N 0.174 120.773 120.570 0.049 0.000 2.627 271 I HA 0.370 4.540 4.170 -0.000 0.000 0.288 271 I C -0.211 175.933 176.117 0.045 0.000 1.202 271 I CA -0.774 60.560 61.300 0.058 0.000 1.050 271 I CB 2.176 40.192 38.000 0.027 0.000 1.264 271 I HN 0.541 nan 8.210 nan 0.000 0.429 272 R N 3.414 123.979 120.500 0.107 0.000 2.474 272 R HA 0.788 5.128 4.340 -0.000 0.000 0.295 272 R C 0.500 176.825 176.300 0.041 0.000 0.980 272 R CA 0.187 56.344 56.100 0.096 0.000 0.934 272 R CB 1.897 32.304 30.300 0.179 0.000 1.101 272 R HN 0.921 nan 8.270 nan 0.000 0.469 273 G N 1.931 110.669 108.800 -0.103 0.000 2.481 273 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.230 273 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.230 273 G C -1.109 173.392 174.900 -0.665 0.000 1.210 273 G CA -0.181 44.791 45.100 -0.214 0.000 0.936 273 G HN 0.587 nan 8.290 nan 0.000 0.583 274 D N 1.714 121.914 120.400 -0.333 0.000 2.428 274 D HA 0.626 5.266 4.640 -0.000 0.000 0.221 274 D C 1.406 177.629 176.300 -0.129 0.000 1.123 274 D CA 0.695 54.538 54.000 -0.263 0.000 0.869 274 D CB 0.731 41.694 40.800 0.272 0.000 1.032 274 D HN 0.961 nan 8.370 nan 0.000 0.506 275 A N 3.493 126.218 122.820 -0.157 0.000 2.186 275 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 275 A C 1.949 179.546 177.584 0.022 0.000 1.159 275 A CA 1.575 53.581 52.037 -0.052 0.000 0.680 275 A CB -0.154 18.824 19.000 -0.037 0.000 0.787 275 A HN 0.586 nan 8.150 nan 0.000 0.467 276 A N -0.425 122.431 122.820 0.060 0.000 2.016 276 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 276 A C 2.016 179.662 177.584 0.103 0.000 1.162 276 A CA 1.730 53.831 52.037 0.106 0.000 0.662 276 A CB -0.752 18.332 19.000 0.139 0.000 0.812 276 A HN 0.742 nan 8.150 nan 0.000 0.450 277 T N -2.444 112.159 114.554 0.082 0.000 3.244 277 T HA 0.403 4.753 4.350 -0.000 0.000 0.254 277 T C 1.299 176.026 174.700 0.046 0.000 1.024 277 T CA -0.104 62.051 62.100 0.091 0.000 0.920 277 T CB -0.337 68.589 68.868 0.096 0.000 1.042 277 T HN 0.236 nan 8.240 nan 0.000 0.572 278 L N 0.707 121.944 121.223 0.024 0.000 1.955 278 L HA -0.071 4.269 4.340 -0.000 0.000 0.213 278 L C 2.966 179.827 176.870 -0.014 0.000 1.072 278 L CA 2.063 56.899 54.840 -0.007 0.000 0.755 278 L CB -0.436 41.634 42.059 0.018 0.000 0.888 278 L HN 0.412 nan 8.230 nan 0.000 0.432 279 E N -0.473 119.734 120.200 0.012 0.000 2.130 279 E HA -0.302 4.048 4.350 -0.000 0.000 0.196 279 E C 2.123 178.632 176.600 -0.152 0.000 0.998 279 E CA 1.595 57.969 56.400 -0.042 0.000 0.806 279 E CB -0.123 29.589 29.700 0.019 0.000 0.738 279 E HN 0.370 nan 8.360 nan 0.000 0.459 280 F N 1.070 120.858 119.950 -0.270 0.000 2.163 280 F HA -0.118 4.409 4.527 -0.000 0.000 0.297 280 F C 2.327 177.960 175.800 -0.278 0.000 1.094 280 F CA 1.755 59.533 58.000 -0.369 0.000 1.290 280 F CB -0.611 38.240 39.000 -0.247 0.000 1.017 280 F HN -0.056 nan 8.300 nan 0.000 0.483 281 T N -0.069 114.345 114.554 -0.234 0.000 2.720 281 T HA -0.291 4.059 4.350 -0.000 0.000 0.268 281 T C 1.774 176.333 174.700 -0.236 0.000 1.037 281 T CA 1.774 63.689 62.100 -0.308 0.000 1.144 281 T CB -0.386 68.342 68.868 -0.232 0.000 0.864 281 T HN 0.284 nan 8.240 nan 0.000 0.444 282 Q N 0.655 120.356 119.800 -0.165 0.000 2.135 282 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 282 Q C 2.087 177.979 176.000 -0.180 0.000 0.981 282 Q CA 1.284 57.023 55.803 -0.108 0.000 0.856 282 Q CB -0.720 27.971 28.738 -0.079 0.000 0.902 282 Q HN 0.437 nan 8.270 nan 0.000 0.425 283 L N -0.430 120.600 121.223 -0.322 0.000 2.042 283 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 283 L C 2.131 178.801 176.870 -0.334 0.000 1.076 283 L CA 1.822 56.453 54.840 -0.347 0.000 0.749 283 L CB -0.784 40.970 42.059 -0.508 0.000 0.893 283 L HN 0.431 nan 8.230 nan 0.000 0.432 284 C N -0.664 118.343 119.300 -0.488 0.000 2.440 284 C HA -0.107 4.353 4.460 -0.000 0.000 0.278 284 C C 2.671 177.635 174.990 -0.044 0.000 1.295 284 C CA 0.220 59.009 59.018 -0.382 0.000 1.738 284 C CB -0.959 26.377 27.740 -0.672 0.000 1.987 284 C HN 0.531 nan 8.230 nan 0.000 0.492 285 I N 1.664 122.247 120.570 0.022 0.000 2.226 285 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 285 I C 2.005 178.131 176.117 0.015 0.000 1.100 285 I CA 1.796 63.152 61.300 0.093 0.000 1.374 285 I CB -1.411 36.638 38.000 0.081 0.000 1.057 285 I HN 0.379 nan 8.210 nan 0.000 0.413 286 D N 0.692 121.068 120.400 -0.041 0.000 2.219 286 D HA -0.065 4.575 4.640 -0.000 0.000 0.205 286 D C 1.919 178.188 176.300 -0.053 0.000 0.970 286 D CA 0.774 54.738 54.000 -0.060 0.000 0.851 286 D CB -0.001 40.739 40.800 -0.100 0.000 0.943 286 D HN 0.337 nan 8.370 nan 0.000 0.488 287 L N -0.169 121.026 121.223 -0.047 0.000 2.688 287 L HA 0.257 4.597 4.340 -0.000 0.000 0.234 287 L C 1.046 177.902 176.870 -0.024 0.000 1.192 287 L CA -0.059 54.759 54.840 -0.035 0.000 0.984 287 L CB -0.231 41.784 42.059 -0.073 0.000 1.232 287 L HN 0.020 nan 8.230 nan 0.000 0.465 288 G N -0.529 108.271 108.800 -0.001 0.000 2.182 288 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.248 288 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.248 288 G C -0.325 174.608 174.900 0.054 0.000 1.042 288 G CA -0.255 44.849 45.100 0.006 0.000 0.775 288 G HN 0.432 nan 8.290 nan 0.000 0.501 289 W N 1.951 123.184 121.300 -0.112 0.000 2.313 289 W HA 0.646 5.306 4.660 0.000 0.000 0.328 289 W C 0.686 177.161 176.519 -0.074 0.000 1.197 289 W CA -1.168 56.114 57.345 -0.105 0.000 1.235 289 W CB 0.813 30.194 29.460 -0.132 0.000 1.158 289 W HN 0.137 nan 8.180 nan 0.000 0.578 290 K N 6.745 126.650 120.400 -0.825 0.000 2.219 290 K HA 0.224 4.544 4.320 -0.000 0.000 0.280 290 K C -2.506 173.339 176.600 -1.258 0.000 1.104 290 K CA -1.699 54.115 56.287 -0.789 0.000 0.925 290 K CB 0.159 32.342 32.500 -0.529 0.000 1.261 290 K HN 0.313 nan 8.250 nan 0.000 0.445 291 P HA 0.072 nan 4.420 nan 0.000 0.263 291 P C 0.055 176.943 177.300 -0.686 0.000 1.247 291 P CA -0.036 62.539 63.100 -0.874 0.000 0.876 291 P CB 0.380 31.583 31.700 -0.830 0.000 0.928 292 R N 3.047 123.235 120.500 -0.519 0.000 2.325 292 R HA 0.013 4.353 4.340 -0.000 0.000 0.214 292 R C -0.048 176.190 176.300 -0.103 0.000 0.961 292 R CA -0.432 55.549 56.100 -0.198 0.000 1.086 292 R CB -0.863 29.395 30.300 -0.070 0.000 1.037 292 R HN 0.339 nan 8.270 nan 0.000 0.493 293 Y N -0.969 119.045 120.300 -0.476 0.000 3.027 293 Y HA -0.301 4.249 4.550 -0.000 0.000 0.213 293 Y C 0.661 176.453 175.900 -0.180 0.000 1.196 293 Y CA 0.790 58.466 58.100 -0.706 0.000 0.780 293 Y CB -1.242 36.892 38.460 -0.543 0.000 1.183 293 Y HN 0.330 nan 8.280 nan 0.000 0.395 294 G N 0.514 109.453 108.800 0.231 0.000 2.766 294 G HA2 0.580 4.540 3.960 -0.000 0.000 0.288 294 G HA3 0.580 4.540 3.960 -0.000 0.000 0.288 294 G C 0.157 175.210 174.900 0.254 0.000 1.408 294 G CA -1.117 44.122 45.100 0.233 0.000 0.852 294 G HN 0.253 nan 8.290 nan 0.000 0.487 295 R N -1.251 119.290 120.500 0.068 0.000 2.161 295 R HA 0.150 4.490 4.340 -0.000 0.000 0.213 295 R C 0.014 176.019 176.300 -0.492 0.000 1.055 295 R CA 0.902 56.883 56.100 -0.198 0.000 0.996 295 R CB 0.048 30.123 30.300 -0.375 0.000 0.901 295 R HN 0.326 nan 8.270 nan 0.000 0.456 296 F N 0.938 120.877 119.950 -0.017 0.000 2.597 296 F HA 0.252 4.779 4.527 -0.000 0.000 0.336 296 F C -0.752 175.099 175.800 0.084 0.000 1.432 296 F CA -1.097 56.666 58.000 -0.394 0.000 1.120 296 F CB 0.630 39.270 39.000 -0.600 0.000 1.253 296 F HN -0.295 nan 8.300 nan 0.000 0.546 297 D N 1.606 122.248 120.400 0.403 0.000 2.380 297 D HA 0.173 4.813 4.640 -0.000 0.000 0.230 297 D C 0.193 176.788 176.300 0.492 0.000 1.154 297 D CA 0.059 54.338 54.000 0.465 0.000 0.859 297 D CB 1.917 43.026 40.800 0.515 0.000 1.045 297 D HN -0.057 nan 8.370 nan 0.000 0.495 298 V N 3.891 124.067 119.914 0.437 0.000 2.509 298 V HA -0.093 4.027 4.120 -0.000 0.000 0.297 298 V C 1.132 177.309 176.094 0.137 0.000 1.014 298 V CA 0.092 62.521 62.300 0.215 0.000 1.127 298 V CB -0.083 31.820 31.823 0.133 0.000 0.925 298 V HN 0.361 nan 8.190 nan 0.000 0.480 299 L N 8.610 129.808 121.223 -0.043 0.000 2.473 299 L HA 0.297 4.637 4.340 -0.000 0.000 0.268 299 L C -1.611 175.110 176.870 -0.248 0.000 1.215 299 L CA -1.287 53.384 54.840 -0.283 0.000 0.823 299 L CB 0.604 42.557 42.059 -0.176 0.000 1.099 299 L HN 0.483 nan 8.230 nan 0.000 0.483 300 P HA 0.094 nan 4.420 nan 0.000 0.276 300 P C -0.991 176.238 177.300 -0.117 0.000 1.244 300 P CA -0.650 62.279 63.100 -0.284 0.000 0.801 300 P CB 1.108 32.487 31.700 -0.535 0.000 1.006 301 L N 2.513 123.723 121.223 -0.021 0.000 2.315 301 L HA 0.147 4.487 4.340 -0.000 0.000 0.283 301 L C -0.066 176.824 176.870 0.033 0.000 1.089 301 L CA -0.118 54.765 54.840 0.072 0.000 0.833 301 L CB 0.438 42.591 42.059 0.157 0.000 1.170 301 L HN 0.093 nan 8.230 nan 0.000 0.442 302 V N 6.542 126.503 119.914 0.078 0.000 2.294 302 V HA 0.342 4.462 4.120 -0.000 0.000 0.272 302 V C -0.145 175.911 176.094 -0.063 0.000 1.027 302 V CA -0.674 61.589 62.300 -0.061 0.000 0.823 302 V CB 1.060 32.894 31.823 0.019 0.000 1.030 302 V HN 0.373 nan 8.190 nan 0.000 0.457 303 L N 5.074 126.247 121.223 -0.083 0.000 2.325 303 L HA 0.633 4.973 4.340 -0.000 0.000 0.278 303 L C 0.010 176.764 176.870 -0.194 0.000 1.023 303 L CA -0.374 54.445 54.840 -0.034 0.000 0.811 303 L CB 1.793 43.943 42.059 0.150 0.000 1.249 303 L HN 0.830 nan 8.230 nan 0.000 0.431 304 Q N 1.768 121.473 119.800 -0.159 0.000 2.310 304 Q HA 0.875 5.215 4.340 -0.000 0.000 0.270 304 Q C -1.399 174.451 176.000 -0.249 0.000 1.025 304 Q CA -0.777 54.898 55.803 -0.214 0.000 0.772 304 Q CB 2.003 30.654 28.738 -0.146 0.000 1.253 304 Q HN 0.668 nan 8.270 nan 0.000 0.450 305 A N 3.112 125.726 122.820 -0.342 0.000 2.304 305 A HA 0.471 4.791 4.320 -0.000 0.000 0.323 305 A C 0.116 177.236 177.584 -0.774 0.000 1.195 305 A CA -0.238 51.357 52.037 -0.736 0.000 0.826 305 A CB 0.779 19.540 19.000 -0.398 0.000 1.184 305 A HN 0.988 nan 8.150 nan 0.000 0.496 306 D N 1.292 120.923 120.400 -1.281 0.000 2.882 306 D HA -0.219 4.421 4.640 -0.000 0.000 0.229 306 D C 1.123 177.288 176.300 -0.225 0.000 1.167 306 D CA 2.640 56.301 54.000 -0.564 0.000 0.759 306 D CB -1.003 39.577 40.800 -0.367 0.000 1.088 306 D HN 2.039 nan 8.370 nan 0.000 0.425 307 G N -0.839 107.869 108.800 -0.153 0.000 2.176 307 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.253 307 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.253 307 G C 0.236 175.144 174.900 0.014 0.000 0.979 307 G CA 0.700 45.817 45.100 0.028 0.000 0.641 307 G HN 0.498 nan 8.290 nan 0.000 0.530 308 Q N 1.494 121.239 119.800 -0.091 0.000 2.340 308 Q HA 0.485 4.825 4.340 -0.000 0.000 0.249 308 Q C 0.359 176.295 176.000 -0.108 0.000 0.957 308 Q CA -0.318 55.427 55.803 -0.097 0.000 0.882 308 Q CB 0.566 29.230 28.738 -0.124 0.000 1.235 308 Q HN 0.370 nan 8.270 nan 0.000 0.439 309 D N 3.007 123.322 120.400 -0.141 0.000 2.515 309 D HA -0.032 4.608 4.640 -0.000 0.000 0.230 309 D C -2.136 173.889 176.300 -0.460 0.000 1.181 309 D CA -0.491 53.312 54.000 -0.328 0.000 0.875 309 D CB -0.140 40.379 40.800 -0.469 0.000 1.213 309 D HN 0.323 nan 8.370 nan 0.000 0.478 310 P HA 0.085 nan 4.420 nan 0.000 0.271 310 P C -0.693 176.285 177.300 -0.538 0.000 1.216 310 P CA -0.005 62.630 63.100 -0.775 0.000 0.771 310 P CB 0.749 31.604 31.700 -1.410 0.000 0.864 311 E N 1.313 121.231 120.200 -0.469 0.000 2.166 311 E HA 0.331 4.681 4.350 -0.000 0.000 0.275 311 E C -0.521 175.534 176.600 -0.908 0.000 0.941 311 E CA -1.132 54.904 56.400 -0.608 0.000 0.784 311 E CB 1.678 31.048 29.700 -0.550 0.000 1.115 311 E HN 0.203 nan 8.360 nan 0.000 0.399 312 V N 4.283 123.701 119.914 -0.827 0.000 2.432 312 V HA 0.264 4.384 4.120 -0.000 0.000 0.271 312 V C -0.625 174.919 176.094 -0.917 0.000 1.046 312 V CA -0.188 61.704 62.300 -0.680 0.000 0.945 312 V CB -0.354 31.257 31.823 -0.352 0.000 0.992 312 V HN 0.481 nan 8.190 nan 0.000 0.471 313 F N 2.191 121.939 119.950 -0.336 0.000 2.529 313 F HA 0.502 5.029 4.527 -0.000 0.000 0.320 313 F C 0.216 175.795 175.800 -0.369 0.000 1.118 313 F CA -0.842 56.822 58.000 -0.561 0.000 0.915 313 F CB 1.685 39.901 39.000 -1.306 0.000 1.161 313 F HN 0.447 nan 8.300 nan 0.000 0.445 314 E N 3.127 123.312 120.200 -0.024 0.000 2.266 314 E HA 0.483 4.833 4.350 -0.000 0.000 0.277 314 E C -0.771 175.965 176.600 0.226 0.000 1.018 314 E CA -0.552 55.925 56.400 0.128 0.000 0.840 314 E CB 0.993 30.816 29.700 0.205 0.000 1.082 314 E HN 0.537 nan 8.360 nan 0.000 0.395 315 I N 5.643 126.356 120.570 0.239 0.000 2.416 315 I HA 0.168 4.338 4.170 -0.000 0.000 0.288 315 I C -2.001 174.248 176.117 0.220 0.000 1.051 315 I CA -2.125 59.347 61.300 0.287 0.000 1.375 315 I CB 0.746 38.857 38.000 0.184 0.000 1.407 315 I HN 0.361 nan 8.210 nan 0.000 0.516 316 P HA 0.087 nan 4.420 nan 0.000 0.264 316 P C -2.007 175.353 177.300 0.099 0.000 1.229 316 P CA -0.869 62.313 63.100 0.137 0.000 0.780 316 P CB 0.175 31.931 31.700 0.094 0.000 0.808 317 P HA -0.234 nan 4.420 nan 0.000 0.218 317 P C 0.845 178.181 177.300 0.059 0.000 1.147 317 P CA 1.417 64.568 63.100 0.084 0.000 0.827 317 P CB -0.022 31.730 31.700 0.086 0.000 0.778 318 D N -1.206 119.223 120.400 0.048 0.000 2.219 318 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 318 D C 1.887 178.202 176.300 0.024 0.000 0.970 318 D CA 0.952 54.970 54.000 0.030 0.000 0.851 318 D CB -0.160 40.653 40.800 0.022 0.000 0.943 318 D HN 0.271 nan 8.370 nan 0.000 0.488 319 L N 0.595 121.836 121.223 0.029 0.000 2.162 319 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 319 L C 0.898 177.784 176.870 0.026 0.000 1.086 319 L CA 0.265 55.118 54.840 0.022 0.000 0.778 319 L CB 0.177 42.248 42.059 0.021 0.000 0.928 319 L HN -0.212 nan 8.230 nan 0.000 0.446 320 V N 2.800 122.736 119.914 0.037 0.000 2.341 320 V HA -0.004 4.116 4.120 -0.000 0.000 0.248 320 V C 0.165 176.284 176.094 0.042 0.000 1.107 320 V CA -0.203 62.118 62.300 0.035 0.000 1.069 320 V CB 0.132 31.981 31.823 0.044 0.000 1.177 320 V HN 0.078 nan 8.190 nan 0.000 0.492 321 L N 6.025 127.271 121.223 0.039 0.000 2.331 321 L HA 0.480 4.820 4.340 -0.000 0.000 0.278 321 L C 0.163 177.053 176.870 0.032 0.000 1.106 321 L CA 0.626 55.480 54.840 0.023 0.000 0.824 321 L CB 0.641 42.707 42.059 0.012 0.000 1.142 321 L HN 0.657 nan 8.230 nan 0.000 0.443 322 E N 3.290 123.483 120.200 -0.011 0.000 2.359 322 E HA 0.629 4.979 4.350 -0.000 0.000 0.266 322 E C -1.518 174.989 176.600 -0.154 0.000 0.920 322 E CA -1.097 55.281 56.400 -0.037 0.000 0.788 322 E CB 2.435 32.137 29.700 0.003 0.000 1.279 322 E HN 0.362 nan 8.360 nan 0.000 0.438 323 V N 1.615 121.393 119.914 -0.226 0.000 2.443 323 V HA 0.222 4.342 4.120 -0.000 0.000 0.293 323 V C -0.389 175.603 176.094 -0.170 0.000 1.021 323 V CA -0.862 61.241 62.300 -0.329 0.000 0.848 323 V CB 1.503 32.831 31.823 -0.825 0.000 0.998 323 V HN 0.781 nan 8.190 nan 0.000 0.424 324 T N 4.493 118.969 114.554 -0.129 0.000 2.814 324 T HA 0.430 4.780 4.350 -0.000 0.000 0.297 324 T C 0.093 174.793 174.700 0.000 0.000 0.956 324 T CA -0.686 61.364 62.100 -0.083 0.000 1.123 324 T CB 0.517 69.342 68.868 -0.071 0.000 0.902 324 T HN 0.312 nan 8.240 nan 0.000 0.528 325 M N 3.999 123.638 119.600 0.064 0.000 2.228 325 M HA 0.258 4.738 4.480 -0.000 0.000 0.351 325 M C 0.541 177.009 176.300 0.281 0.000 1.233 325 M CA 0.017 55.450 55.300 0.222 0.000 1.129 325 M CB -0.330 32.472 32.600 0.337 0.000 1.604 325 M HN 0.916 nan 8.290 nan 0.000 0.457 326 E N 1.626 122.035 120.200 0.349 0.000 2.343 326 E HA 0.244 4.594 4.350 -0.000 0.000 0.288 326 E C -1.176 175.558 176.600 0.223 0.000 0.907 326 E CA -0.762 55.847 56.400 0.349 0.000 0.792 326 E CB 1.077 30.900 29.700 0.205 0.000 1.275 326 E HN 0.600 nan 8.360 nan 0.000 0.402 327 H N 4.873 123.912 119.070 -0.052 0.000 2.683 327 H HA 0.131 4.687 4.556 -0.000 0.000 0.339 327 H C -1.466 173.723 175.328 -0.231 0.000 1.081 327 H CA -1.635 54.209 56.048 -0.341 0.000 1.432 327 H CB 1.541 30.921 29.762 -0.637 0.000 1.462 327 H HN 0.491 nan 8.280 nan 0.000 0.557 328 P HA -0.056 nan 4.420 nan 0.000 0.234 328 P C 0.426 177.703 177.300 -0.038 0.000 1.167 328 P CA 0.940 63.792 63.100 -0.413 0.000 0.763 328 P CB 0.793 31.989 31.700 -0.839 0.000 0.835 329 K N -1.514 119.013 120.400 0.211 0.000 2.509 329 K HA 0.170 4.490 4.320 -0.000 0.000 0.205 329 K C 0.176 176.708 176.600 -0.113 0.000 1.336 329 K CA 0.374 56.674 56.287 0.021 0.000 0.912 329 K CB -0.223 32.275 32.500 -0.003 0.000 1.568 329 K HN -0.105 nan 8.250 nan 0.000 0.475 330 Y N 3.140 123.171 120.300 -0.448 0.000 2.640 330 Y HA 0.093 4.643 4.550 -0.000 0.000 0.355 330 Y C 0.646 176.242 175.900 -0.507 0.000 1.088 330 Y CA -0.064 57.650 58.100 -0.643 0.000 1.443 330 Y CB -0.085 37.616 38.460 -1.264 0.000 1.224 330 Y HN 0.161 nan 8.280 nan 0.000 0.516 331 E N 2.780 122.919 120.200 -0.102 0.000 2.409 331 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 331 E C 1.154 177.807 176.600 0.089 0.000 1.024 331 E CA 0.738 57.148 56.400 0.017 0.000 0.861 331 E CB -0.036 29.699 29.700 0.060 0.000 0.788 331 E HN 0.887 nan 8.360 nan 0.000 0.521 332 W N -0.568 120.840 121.300 0.180 0.000 3.047 332 W HA 0.064 4.724 4.660 -0.000 0.000 0.250 332 W C 1.120 177.741 176.519 0.169 0.000 1.314 332 W CA -0.401 57.031 57.345 0.144 0.000 1.540 332 W CB -0.635 28.898 29.460 0.122 0.000 1.127 332 W HN -0.058 nan 8.180 nan 0.000 0.679 333 F N 3.563 123.303 119.950 -0.350 0.000 2.146 333 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 333 F C 2.877 178.661 175.800 -0.026 0.000 1.096 333 F CA 2.845 60.658 58.000 -0.312 0.000 1.275 333 F CB -0.473 38.275 39.000 -0.419 0.000 1.008 333 F HN -0.007 nan 8.300 nan 0.000 0.480 334 Q N -0.280 119.573 119.800 0.089 0.000 2.364 334 Q HA -0.186 4.154 4.340 -0.000 0.000 0.209 334 Q C 1.352 177.354 176.000 0.004 0.000 0.977 334 Q CA 1.655 57.479 55.803 0.034 0.000 0.885 334 Q CB -0.795 27.991 28.738 0.080 0.000 0.941 334 Q HN 0.511 nan 8.270 nan 0.000 0.464 335 E N 0.312 120.547 120.200 0.059 0.000 2.516 335 E HA -0.066 4.284 4.350 -0.000 0.000 0.199 335 E C 1.060 177.678 176.600 0.029 0.000 1.069 335 E CA 0.133 56.578 56.400 0.075 0.000 0.876 335 E CB 0.161 29.952 29.700 0.152 0.000 0.843 335 E HN 0.299 nan 8.360 nan 0.000 0.530 336 L N -0.479 120.707 121.223 -0.063 0.000 2.341 336 L HA 0.101 4.441 4.340 -0.000 0.000 0.214 336 L C 1.483 178.311 176.870 -0.071 0.000 1.115 336 L CA 1.057 55.828 54.840 -0.115 0.000 0.820 336 L CB -0.396 41.458 42.059 -0.341 0.000 0.944 336 L HN 0.191 nan 8.230 nan 0.000 0.452 337 G N -0.014 108.750 108.800 -0.061 0.000 2.246 337 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.273 337 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.273 337 G C -0.113 174.806 174.900 0.031 0.000 1.055 337 G CA -0.112 44.992 45.100 0.006 0.000 0.851 337 G HN 0.116 nan 8.290 nan 0.000 0.500 338 L N 0.157 121.315 121.223 -0.108 0.000 2.325 338 L HA 0.845 5.185 4.340 -0.000 0.000 0.279 338 L C 0.549 177.269 176.870 -0.250 0.000 1.054 338 L CA -0.351 54.401 54.840 -0.146 0.000 0.804 338 L CB 1.524 43.362 42.059 -0.368 0.000 1.200 338 L HN 0.615 nan 8.230 nan 0.000 0.436 339 K N 1.677 121.775 120.400 -0.502 0.000 2.578 339 K HA 0.582 4.902 4.320 -0.000 0.000 0.287 339 K C -1.853 174.704 176.600 -0.072 0.000 1.010 339 K CA -1.013 55.059 56.287 -0.358 0.000 0.889 339 K CB 2.044 34.211 32.500 -0.555 0.000 1.514 339 K HN 0.492 nan 8.250 nan 0.000 0.424 340 W N 2.029 123.269 121.300 -0.101 0.000 3.363 340 W HA 0.284 4.944 4.660 -0.000 0.000 0.306 340 W C -1.372 175.165 176.519 0.029 0.000 1.253 340 W CA -0.798 56.578 57.345 0.050 0.000 1.195 340 W CB 1.381 30.753 29.460 -0.148 0.000 1.366 340 W HN 0.701 nan 8.180 nan 0.000 0.551 341 Y N 1.538 121.673 120.300 -0.275 0.000 2.480 341 Y HA 0.447 4.997 4.550 -0.000 0.000 0.338 341 Y C 0.830 176.856 175.900 0.209 0.000 1.220 341 Y CA 0.465 58.503 58.100 -0.103 0.000 1.430 341 Y CB 0.203 38.494 38.460 -0.281 0.000 1.311 341 Y HN 0.347 nan 8.280 nan 0.000 0.575 342 A N 2.900 125.930 122.820 0.351 0.000 2.123 342 A HA 0.117 4.437 4.320 -0.000 0.000 0.214 342 A C 0.354 178.299 177.584 0.601 0.000 1.152 342 A CA 0.131 52.437 52.037 0.449 0.000 0.728 342 A CB -0.214 18.904 19.000 0.196 0.000 0.814 342 A HN 0.651 nan 8.150 nan 0.000 0.464 343 L N 1.752 123.297 121.223 0.537 0.000 2.262 343 L HA 0.407 4.747 4.340 -0.000 0.000 0.288 343 L C -2.498 174.580 176.870 0.347 0.000 1.035 343 L CA -2.140 52.916 54.840 0.362 0.000 0.820 343 L CB 1.646 43.801 42.059 0.159 0.000 1.204 343 L HN -0.051 nan 8.230 nan 0.000 0.424 344 P HA 0.288 nan 4.420 nan 0.000 0.245 344 P C -1.243 175.974 177.300 -0.138 0.000 1.740 344 P CA -0.289 62.682 63.100 -0.214 0.000 1.125 344 P CB 0.937 32.135 31.700 -0.837 0.000 1.747 345 A N 4.317 127.080 122.820 -0.095 0.000 2.328 345 A HA 0.417 4.737 4.320 -0.000 0.000 0.318 345 A C 0.087 177.493 177.584 -0.295 0.000 1.347 345 A CA -0.658 51.282 52.037 -0.162 0.000 0.842 345 A CB 0.594 19.573 19.000 -0.035 0.000 1.148 345 A HN 0.265 nan 8.150 nan 0.000 0.499 346 V N 2.320 121.891 119.914 -0.572 0.000 2.529 346 V HA 0.267 4.387 4.120 -0.000 0.000 0.292 346 V C 1.318 177.019 176.094 -0.655 0.000 1.028 346 V CA 1.009 62.922 62.300 -0.646 0.000 1.074 346 V CB 0.695 31.988 31.823 -0.883 0.000 0.958 346 V HN 1.006 nan 8.190 nan 0.000 0.481 347 A N 4.237 126.853 122.820 -0.341 0.000 2.013 347 A HA 0.066 4.386 4.320 -0.000 0.000 0.204 347 A C 1.499 179.014 177.584 -0.114 0.000 1.262 347 A CA 0.507 52.421 52.037 -0.205 0.000 0.800 347 A CB -0.189 18.744 19.000 -0.111 0.000 0.909 347 A HN 0.908 nan 8.150 nan 0.000 0.472 348 N N -0.662 117.976 118.700 -0.103 0.000 2.362 348 N HA 0.189 4.929 4.740 -0.000 0.000 0.211 348 N C 0.081 175.608 175.510 0.027 0.000 1.170 348 N CA -0.138 52.886 53.050 -0.043 0.000 0.828 348 N CB -0.003 38.432 38.487 -0.086 0.000 1.034 348 N HN 0.374 nan 8.380 nan 0.000 0.475 349 M N 1.220 120.861 119.600 0.068 0.000 2.528 349 M HA 0.348 4.828 4.480 -0.000 0.000 0.318 349 M C -0.636 175.811 176.300 0.245 0.000 1.195 349 M CA -0.872 54.547 55.300 0.198 0.000 1.000 349 M CB 2.529 35.297 32.600 0.280 0.000 1.615 349 M HN 0.128 nan 8.290 nan 0.000 0.469 350 L N 3.033 124.431 121.223 0.291 0.000 2.307 350 L HA 0.567 4.907 4.340 -0.000 0.000 0.284 350 L C -1.426 175.673 176.870 0.381 0.000 1.023 350 L CA -1.003 54.017 54.840 0.299 0.000 0.810 350 L CB 1.308 43.499 42.059 0.222 0.000 1.231 350 L HN 0.619 nan 8.230 nan 0.000 0.423 351 L N 5.105 126.555 121.223 0.377 0.000 2.264 351 L HA 0.468 4.808 4.340 -0.000 0.000 0.289 351 L C -0.457 176.575 176.870 0.270 0.000 1.044 351 L CA 0.305 55.313 54.840 0.281 0.000 0.807 351 L CB 1.108 43.301 42.059 0.223 0.000 1.192 351 L HN 0.635 nan 8.230 nan 0.000 0.425 352 E N 4.906 125.224 120.200 0.195 0.000 2.166 352 E HA 0.549 4.899 4.350 -0.000 0.000 0.275 352 E C -1.886 174.752 176.600 0.064 0.000 0.941 352 E CA -0.455 56.031 56.400 0.143 0.000 0.784 352 E CB 1.920 31.724 29.700 0.173 0.000 1.115 352 E HN 0.548 nan 8.360 nan 0.000 0.399 353 V N 3.155 123.072 119.914 0.006 0.000 2.823 353 V HA 0.463 4.583 4.120 -0.000 0.000 0.296 353 V C 0.229 176.209 176.094 -0.190 0.000 1.250 353 V CA 0.492 62.713 62.300 -0.132 0.000 0.939 353 V CB 1.274 32.938 31.823 -0.264 0.000 1.062 353 V HN 0.885 nan 8.190 nan 0.000 0.433 354 G N 4.309 113.043 108.800 -0.110 0.000 2.341 354 G HA2 0.077 4.037 3.960 -0.000 0.000 0.292 354 G HA3 0.077 4.037 3.960 -0.000 0.000 0.292 354 G C 1.707 176.746 174.900 0.232 0.000 1.021 354 G CA 1.508 46.683 45.100 0.124 0.000 0.905 354 G HN 2.747 nan 8.290 nan 0.000 0.508 355 G N -1.870 107.017 108.800 0.145 0.000 2.299 355 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.237 355 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.237 355 G C 0.661 175.598 174.900 0.062 0.000 1.027 355 G CA 0.585 45.807 45.100 0.203 0.000 0.619 355 G HN 1.300 nan 8.290 nan 0.000 0.513 356 L N 1.275 122.483 121.223 -0.024 0.000 2.466 356 L HA 0.638 4.978 4.340 -0.000 0.000 0.257 356 L C 0.601 177.339 176.870 -0.220 0.000 1.189 356 L CA -0.099 54.616 54.840 -0.208 0.000 0.813 356 L CB 0.752 42.578 42.059 -0.389 0.000 1.118 356 L HN 0.567 nan 8.230 nan 0.000 0.471 357 E N 0.603 120.571 120.200 -0.387 0.000 2.311 357 E HA 0.350 4.700 4.350 -0.000 0.000 0.281 357 E C -1.723 174.661 176.600 -0.360 0.000 0.905 357 E CA -0.613 55.651 56.400 -0.228 0.000 0.778 357 E CB 1.180 30.815 29.700 -0.108 0.000 1.240 357 E HN 0.208 nan 8.360 nan 0.000 0.410 358 F N 3.371 123.331 119.950 0.017 0.000 2.293 358 F HA 0.304 4.831 4.527 -0.000 0.000 0.370 358 F C -1.516 174.345 175.800 0.102 0.000 1.090 358 F CA -2.478 55.552 58.000 0.050 0.000 1.133 358 F CB 1.390 40.411 39.000 0.036 0.000 1.360 358 F HN 0.362 nan 8.300 nan 0.000 0.489 359 P HA -0.018 nan 4.420 nan 0.000 0.239 359 P C -0.093 177.333 177.300 0.210 0.000 1.184 359 P CA 0.603 63.812 63.100 0.182 0.000 0.760 359 P CB 0.387 32.164 31.700 0.127 0.000 0.884 360 A N 0.242 123.230 122.820 0.279 0.000 2.499 360 A HA 0.531 4.851 4.320 -0.000 0.000 0.280 360 A C -0.135 177.669 177.584 0.366 0.000 1.135 360 A CA -0.403 51.808 52.037 0.289 0.000 0.744 360 A CB 0.229 19.392 19.000 0.271 0.000 1.213 360 A HN 0.261 nan 8.150 nan 0.000 0.434 361 C N 0.588 120.046 119.300 0.262 0.000 2.996 361 C HA 0.411 4.871 4.460 -0.000 0.000 0.221 361 C C -2.802 172.233 174.990 0.075 0.000 1.122 361 C CA -1.383 57.735 59.018 0.167 0.000 1.040 361 C CB -0.551 27.284 27.740 0.158 0.000 1.804 361 C HN 0.587 nan 8.230 nan 0.000 0.659 362 P HA 0.246 nan 4.420 nan 0.000 0.264 362 P C -0.506 176.666 177.300 -0.213 0.000 1.183 362 P CA 1.136 64.120 63.100 -0.193 0.000 0.763 362 P CB 0.410 32.045 31.700 -0.107 0.000 0.807 363 F N 0.635 120.479 119.950 -0.177 0.000 2.620 363 F HA 0.724 5.251 4.527 -0.000 0.000 0.320 363 F C -0.570 175.149 175.800 -0.135 0.000 1.069 363 F CA -1.225 56.655 58.000 -0.200 0.000 0.953 363 F CB 1.712 40.444 39.000 -0.447 0.000 1.322 363 F HN 0.357 nan 8.300 nan 0.000 0.479 364 N N -0.152 118.618 118.700 0.117 0.000 2.484 364 N HA 0.685 5.425 4.740 -0.000 0.000 0.269 364 N C -1.351 174.068 175.510 -0.151 0.000 1.237 364 N CA -0.325 52.714 53.050 -0.018 0.000 0.838 364 N CB 1.858 40.343 38.487 -0.005 0.000 1.593 364 N HN 1.117 nan 8.380 nan 0.000 0.485 365 G N -0.600 108.076 108.800 -0.207 0.000 3.195 365 G HA2 0.691 4.651 3.960 -0.000 0.000 0.217 365 G HA3 0.691 4.651 3.960 -0.000 0.000 0.217 365 G C -1.663 173.163 174.900 -0.123 0.000 1.166 365 G CA -0.809 44.075 45.100 -0.360 0.000 0.812 365 G HN 0.678 nan 8.290 nan 0.000 0.617 366 W N -1.611 119.679 121.300 -0.016 0.000 2.736 366 W HA 0.818 5.478 4.660 0.000 0.000 0.355 366 W C -1.058 175.456 176.519 -0.008 0.000 1.102 366 W CA -2.025 55.335 57.345 0.024 0.000 1.164 366 W CB 0.306 29.811 29.460 0.075 0.000 1.422 366 W HN 0.428 nan 8.180 nan 0.000 0.572 367 Y N 1.877 122.355 120.300 0.295 0.000 2.330 367 Y HA 0.250 4.800 4.550 -0.000 0.000 0.341 367 Y C 0.734 176.673 175.900 0.066 0.000 1.278 367 Y CA -0.327 57.823 58.100 0.083 0.000 1.453 367 Y CB 0.873 39.291 38.460 -0.071 0.000 1.342 367 Y HN 0.365 nan 8.280 nan 0.000 0.590 368 M N 1.736 121.448 119.600 0.187 0.000 2.197 368 M HA 0.315 4.795 4.480 -0.000 0.000 0.301 368 M C 0.890 177.141 176.300 -0.082 0.000 0.987 368 M CA -0.287 55.047 55.300 0.057 0.000 0.921 368 M CB 1.488 34.108 32.600 0.033 0.000 1.569 368 M HN 0.853 nan 8.290 nan 0.000 0.431 369 G N 2.285 110.985 108.800 -0.166 0.000 2.783 369 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.225 369 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.225 369 G C 1.109 175.817 174.900 -0.320 0.000 1.191 369 G CA 2.456 47.391 45.100 -0.275 0.000 0.774 369 G HN 0.902 nan 8.290 nan 0.000 0.632 370 T N -0.846 113.507 114.554 -0.335 0.000 2.802 370 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 370 T C 1.927 176.431 174.700 -0.328 0.000 1.062 370 T CA 1.984 63.854 62.100 -0.383 0.000 1.133 370 T CB -0.411 68.158 68.868 -0.498 0.000 0.852 370 T HN 0.621 nan 8.240 nan 0.000 0.485 371 E N 0.801 120.836 120.200 -0.275 0.000 2.051 371 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 371 E C 2.161 178.494 176.600 -0.445 0.000 0.991 371 E CA 1.519 57.776 56.400 -0.238 0.000 0.799 371 E CB -0.251 29.448 29.700 -0.001 0.000 0.748 371 E HN 0.609 nan 8.360 nan 0.000 0.449 372 I N 0.264 120.428 120.570 -0.676 0.000 2.270 372 I HA -0.049 4.121 4.170 -0.000 0.000 0.239 372 I C 2.627 178.138 176.117 -1.011 0.000 1.080 372 I CA 0.859 61.434 61.300 -1.209 0.000 1.383 372 I CB -0.646 36.522 38.000 -1.387 0.000 1.097 372 I HN 0.107 nan 8.210 nan 0.000 0.420 373 G N 0.931 109.388 108.800 -0.571 0.000 2.476 373 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 373 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 373 G C 1.589 176.420 174.900 -0.115 0.000 1.164 373 G CA 1.464 46.446 45.100 -0.197 0.000 0.768 373 G HN 0.241 nan 8.290 nan 0.000 0.560 374 V N 0.215 120.002 119.914 -0.212 0.000 2.391 374 V HA 0.067 4.187 4.120 -0.000 0.000 0.237 374 V C 2.815 178.822 176.094 -0.145 0.000 1.046 374 V CA 1.013 63.221 62.300 -0.155 0.000 1.053 374 V CB -0.449 31.254 31.823 -0.200 0.000 0.704 374 V HN 0.100 nan 8.190 nan 0.000 0.475 375 R N 1.023 121.395 120.500 -0.213 0.000 2.070 375 R HA -0.096 4.244 4.340 -0.000 0.000 0.227 375 R C 2.007 178.218 176.300 -0.149 0.000 1.147 375 R CA 1.824 57.817 56.100 -0.177 0.000 0.924 375 R CB -1.290 28.886 30.300 -0.207 0.000 0.827 375 R HN 0.504 nan 8.270 nan 0.000 0.431 376 D N 0.217 120.423 120.400 -0.324 0.000 2.104 376 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 376 D C 1.953 178.235 176.300 -0.030 0.000 0.994 376 D CA 1.123 54.907 54.000 -0.361 0.000 0.830 376 D CB -0.207 39.859 40.800 -1.223 0.000 0.959 376 D HN 0.093 nan 8.370 nan 0.000 0.452 377 F N 0.439 120.286 119.950 -0.173 0.000 2.270 377 F HA 0.002 4.529 4.527 -0.000 0.000 0.295 377 F C 2.444 178.281 175.800 0.061 0.000 1.087 377 F CA -0.094 57.894 58.000 -0.021 0.000 1.365 377 F CB -0.710 38.252 39.000 -0.063 0.000 1.056 377 F HN 0.038 nan 8.300 nan 0.000 0.506 378 C N -1.300 118.119 119.300 0.198 0.000 2.865 378 C HA 0.175 4.635 4.460 -0.000 0.000 0.280 378 C C 0.464 175.503 174.990 0.082 0.000 1.255 378 C CA -0.790 58.302 59.018 0.123 0.000 1.705 378 C CB -0.750 27.028 27.740 0.065 0.000 2.080 378 C HN 0.095 nan 8.230 nan 0.000 0.591 379 D N 1.531 121.973 120.400 0.069 0.000 2.472 379 D HA 0.064 4.704 4.640 -0.000 0.000 0.237 379 D C 1.296 177.645 176.300 0.080 0.000 1.141 379 D CA 0.635 54.668 54.000 0.055 0.000 0.875 379 D CB 0.806 41.635 40.800 0.048 0.000 1.192 379 D HN 0.141 nan 8.370 nan 0.000 0.450 380 T N 1.192 115.786 114.554 0.067 0.000 2.788 380 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 380 T C 1.596 176.340 174.700 0.073 0.000 1.044 380 T CA 1.066 63.209 62.100 0.070 0.000 1.139 380 T CB -0.029 68.877 68.868 0.062 0.000 0.867 380 T HN 0.521 nan 8.240 nan 0.000 0.454 381 Q N 0.437 120.286 119.800 0.082 0.000 2.444 381 Q HA 0.102 4.442 4.340 -0.000 0.000 0.206 381 Q C 0.969 177.017 176.000 0.079 0.000 0.948 381 Q CA 0.304 56.160 55.803 0.087 0.000 0.946 381 Q CB 0.236 29.048 28.738 0.122 0.000 1.027 381 Q HN 0.304 nan 8.270 nan 0.000 0.513 382 R N -0.307 120.246 120.500 0.089 0.000 3.006 382 R HA 0.256 4.596 4.340 -0.000 0.000 0.150 382 R C 1.575 177.911 176.300 0.060 0.000 1.285 382 R CA -0.523 55.641 56.100 0.106 0.000 0.813 382 R CB -1.167 29.253 30.300 0.200 0.000 1.582 382 R HN 0.025 nan 8.270 nan 0.000 0.441 383 Y N 1.480 121.890 120.300 0.183 0.000 2.274 383 Y HA -0.141 4.409 4.550 -0.000 0.000 0.290 383 Y C 0.774 176.745 175.900 0.119 0.000 1.145 383 Y CA 1.423 59.629 58.100 0.176 0.000 1.203 383 Y CB -0.188 38.447 38.460 0.291 0.000 0.984 383 Y HN 0.458 nan 8.280 nan 0.000 0.533 384 N N 0.296 119.139 118.700 0.238 0.000 2.714 384 N HA -0.217 4.523 4.740 -0.000 0.000 0.253 384 N C 0.464 176.067 175.510 0.154 0.000 1.024 384 N CA 0.815 53.961 53.050 0.160 0.000 0.726 384 N CB -1.423 37.130 38.487 0.110 0.000 0.908 384 N HN 0.664 nan 8.380 nan 0.000 0.542 385 I N -3.331 117.340 120.570 0.167 0.000 2.876 385 I HA -0.028 4.142 4.170 -0.000 0.000 0.264 385 I C 2.096 178.295 176.117 0.137 0.000 1.204 385 I CA -0.033 61.336 61.300 0.116 0.000 1.485 385 I CB -0.194 37.822 38.000 0.026 0.000 1.103 385 I HN 0.193 nan 8.210 nan 0.000 0.446 386 L N 1.475 122.793 121.223 0.159 0.000 2.030 386 L HA -0.317 4.023 4.340 -0.000 0.000 0.222 386 L C 2.770 179.827 176.870 0.311 0.000 1.082 386 L CA 2.433 57.397 54.840 0.206 0.000 0.785 386 L CB -0.514 41.624 42.059 0.131 0.000 0.895 386 L HN 0.441 nan 8.230 nan 0.000 0.439 387 E N 0.568 120.925 120.200 0.262 0.000 2.068 387 E HA -0.308 4.042 4.350 -0.000 0.000 0.207 387 E C 1.879 178.533 176.600 0.089 0.000 1.032 387 E CA 2.389 58.912 56.400 0.205 0.000 0.839 387 E CB -0.163 29.611 29.700 0.123 0.000 0.758 387 E HN 0.688 nan 8.360 nan 0.000 0.457 388 E N -0.572 119.673 120.200 0.075 0.000 2.216 388 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 388 E C 2.079 178.713 176.600 0.057 0.000 0.988 388 E CA 1.041 57.456 56.400 0.025 0.000 0.834 388 E CB -0.072 29.637 29.700 0.014 0.000 0.772 388 E HN 0.198 nan 8.360 nan 0.000 0.479 389 V N 1.613 121.624 119.914 0.162 0.000 2.515 389 V HA -0.135 3.985 4.120 -0.000 0.000 0.250 389 V C 2.420 178.666 176.094 0.253 0.000 1.058 389 V CA 1.875 64.348 62.300 0.289 0.000 1.064 389 V CB -0.669 31.346 31.823 0.320 0.000 0.675 389 V HN 0.537 nan 8.190 nan 0.000 0.461 390 G N -0.359 108.570 108.800 0.216 0.000 2.394 390 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 390 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 390 G C 1.749 176.618 174.900 -0.052 0.000 1.165 390 G CA 0.365 45.567 45.100 0.169 0.000 0.784 390 G HN 0.381 nan 8.290 nan 0.000 0.535 391 R N 0.087 120.506 120.500 -0.136 0.000 2.083 391 R HA -0.022 4.318 4.340 -0.000 0.000 0.237 391 R C 2.699 178.864 176.300 -0.226 0.000 1.137 391 R CA 1.259 57.241 56.100 -0.197 0.000 0.951 391 R CB -0.245 29.950 30.300 -0.175 0.000 0.851 391 R HN 0.243 nan 8.270 nan 0.000 0.434 392 R N -0.167 120.142 120.500 -0.318 0.000 2.235 392 R HA 0.021 4.361 4.340 -0.000 0.000 0.213 392 R C 1.828 177.783 176.300 -0.575 0.000 1.059 392 R CA 0.832 56.512 56.100 -0.700 0.000 0.997 392 R CB 0.033 29.539 30.300 -1.325 0.000 0.884 392 R HN 0.245 nan 8.270 nan 0.000 0.462 393 M N -0.866 118.669 119.600 -0.107 0.000 2.502 393 M HA 0.149 4.629 4.480 -0.000 0.000 0.243 393 M C 0.803 177.153 176.300 0.083 0.000 1.130 393 M CA 0.510 55.930 55.300 0.200 0.000 1.055 393 M CB 0.909 33.682 32.600 0.289 0.000 1.457 393 M HN 0.380 nan 8.290 nan 0.000 0.488 394 G N 1.294 110.068 108.800 -0.045 0.000 2.147 394 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 394 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 394 G C -0.207 174.662 174.900 -0.051 0.000 1.005 394 G CA -0.384 44.681 45.100 -0.058 0.000 0.713 394 G HN 0.238 nan 8.290 nan 0.000 0.515 395 L N 0.247 121.432 121.223 -0.063 0.000 2.453 395 L HA 0.392 4.732 4.340 -0.000 0.000 0.261 395 L C 1.042 177.769 176.870 -0.239 0.000 1.179 395 L CA -0.531 54.262 54.840 -0.078 0.000 0.813 395 L CB 0.322 42.398 42.059 0.028 0.000 1.110 395 L HN 0.338 nan 8.230 nan 0.000 0.466 396 E N 0.538 120.617 120.200 -0.201 0.000 1.858 396 E HA 0.030 4.380 4.350 -0.000 0.000 0.278 396 E C 0.668 176.914 176.600 -0.590 0.000 1.172 396 E CA -0.013 56.241 56.400 -0.243 0.000 1.127 396 E CB -0.308 29.347 29.700 -0.075 0.000 1.084 396 E HN 0.514 nan 8.360 nan 0.000 0.455 397 T N 0.263 114.285 114.554 -0.886 0.000 2.996 397 T HA -0.156 4.194 4.350 -0.000 0.000 0.271 397 T C 0.632 174.731 174.700 -1.002 0.000 1.126 397 T CA 1.196 62.413 62.100 -1.472 0.000 1.103 397 T CB -0.202 67.925 68.868 -1.235 0.000 0.870 397 T HN 0.524 nan 8.240 nan 0.000 0.528 398 H N -0.239 118.661 119.070 -0.283 0.000 2.542 398 H HA 0.283 4.839 4.556 -0.000 0.000 0.283 398 H C -0.070 175.265 175.328 0.012 0.000 1.059 398 H CA -0.095 55.903 56.048 -0.082 0.000 1.162 398 H CB 0.660 30.379 29.762 -0.071 0.000 1.539 398 H HN 0.071 nan 8.280 nan 0.000 0.543 399 T N 1.857 116.467 114.554 0.094 0.000 2.892 399 T HA 0.088 4.438 4.350 -0.000 0.000 0.311 399 T C 0.859 175.736 174.700 0.294 0.000 1.033 399 T CA -0.504 61.689 62.100 0.155 0.000 0.991 399 T CB 1.450 70.380 68.868 0.102 0.000 0.981 399 T HN 0.082 nan 8.240 nan 0.000 0.457 400 L N 2.428 123.820 121.223 0.282 0.000 2.012 400 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 400 L C 2.701 179.680 176.870 0.182 0.000 1.073 400 L CA 2.030 57.029 54.840 0.265 0.000 0.748 400 L CB -1.404 40.741 42.059 0.144 0.000 0.891 400 L HN 0.783 nan 8.230 nan 0.000 0.431 401 A N -0.453 122.449 122.820 0.136 0.000 2.186 401 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 401 A C 2.285 179.937 177.584 0.114 0.000 1.159 401 A CA 1.473 53.569 52.037 0.098 0.000 0.680 401 A CB -0.596 18.451 19.000 0.077 0.000 0.787 401 A HN 0.628 nan 8.150 nan 0.000 0.467 402 S N -0.628 115.180 115.700 0.180 0.000 2.555 402 S HA 0.118 4.588 4.470 -0.000 0.000 0.230 402 S C 0.870 175.579 174.600 0.182 0.000 0.978 402 S CA 0.590 58.900 58.200 0.183 0.000 0.934 402 S CB -0.725 62.605 63.200 0.215 0.000 0.766 402 S HN 0.838 nan 8.310 nan 0.000 0.533 403 L N 0.444 121.752 121.223 0.143 0.000 3.843 403 L HA -0.179 4.161 4.340 -0.000 0.000 0.411 403 L C 1.658 178.573 176.870 0.075 0.000 1.205 403 L CA 0.787 55.653 54.840 0.043 0.000 0.945 403 L CB -2.585 39.496 42.059 0.037 0.000 1.929 403 L HN 0.749 nan 8.230 nan 0.000 0.934 404 W N 0.269 121.580 121.300 0.018 0.000 2.381 404 W HA -0.133 4.527 4.660 -0.000 0.000 0.301 404 W C 1.752 178.284 176.519 0.021 0.000 1.205 404 W CA 1.319 58.675 57.345 0.018 0.000 1.285 404 W CB -0.815 28.649 29.460 0.006 0.000 1.133 404 W HN 0.241 nan 8.180 nan 0.000 0.521 405 K N 0.989 120.953 120.400 -0.727 0.000 2.103 405 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 405 K C 1.460 177.912 176.600 -0.247 0.000 1.048 405 K CA 2.413 58.279 56.287 -0.701 0.000 0.930 405 K CB -0.398 31.548 32.500 -0.924 0.000 0.716 405 K HN 0.071 nan 8.250 nan 0.000 0.444 406 D N -0.006 120.291 120.400 -0.170 0.000 2.178 406 D HA -0.083 4.557 4.640 -0.000 0.000 0.202 406 D C 1.923 178.219 176.300 -0.006 0.000 0.974 406 D CA 0.934 54.891 54.000 -0.071 0.000 0.841 406 D CB 0.079 40.851 40.800 -0.046 0.000 0.953 406 D HN 0.128 nan 8.370 nan 0.000 0.478 407 R N 0.486 121.009 120.500 0.038 0.000 2.062 407 R HA 0.089 4.429 4.340 -0.000 0.000 0.229 407 R C 2.249 178.597 176.300 0.081 0.000 1.128 407 R CA 1.045 57.194 56.100 0.081 0.000 0.960 407 R CB -0.303 30.077 30.300 0.133 0.000 0.855 407 R HN 0.133 nan 8.270 nan 0.000 0.432 408 A N 1.016 123.906 122.820 0.116 0.000 1.841 408 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 408 A C 2.371 179.997 177.584 0.071 0.000 1.199 408 A CA 1.720 53.835 52.037 0.130 0.000 0.621 408 A CB -0.935 18.200 19.000 0.225 0.000 0.835 408 A HN 0.103 nan 8.150 nan 0.000 0.445 409 V N 0.123 120.059 119.914 0.037 0.000 2.317 409 V HA -0.312 3.808 4.120 -0.000 0.000 0.251 409 V C 2.737 178.832 176.094 0.002 0.000 1.065 409 V CA 2.639 64.948 62.300 0.014 0.000 1.049 409 V CB -1.526 30.277 31.823 -0.033 0.000 0.651 409 V HN 0.660 nan 8.190 nan 0.000 0.450 410 T N -0.526 114.032 114.554 0.007 0.000 2.720 410 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 410 T C 1.861 176.557 174.700 -0.006 0.000 1.037 410 T CA 1.605 63.714 62.100 0.014 0.000 1.144 410 T CB -0.268 68.620 68.868 0.034 0.000 0.864 410 T HN 0.525 nan 8.240 nan 0.000 0.444 411 E N 0.955 121.148 120.200 -0.011 0.000 2.072 411 E HA 0.008 4.358 4.350 -0.000 0.000 0.191 411 E C 2.309 178.815 176.600 -0.157 0.000 0.985 411 E CA 0.685 57.066 56.400 -0.033 0.000 0.801 411 E CB -0.484 29.139 29.700 -0.128 0.000 0.750 411 E HN 0.523 nan 8.360 nan 0.000 0.452 412 I N 1.808 122.331 120.570 -0.077 0.000 2.208 412 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 412 I C 2.062 178.154 176.117 -0.041 0.000 1.097 412 I CA 0.911 62.204 61.300 -0.012 0.000 1.363 412 I CB -0.394 37.710 38.000 0.174 0.000 1.051 412 I HN 0.047 nan 8.210 nan 0.000 0.413 413 N N 0.691 119.359 118.700 -0.054 0.000 2.120 413 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 413 N C 1.916 177.365 175.510 -0.102 0.000 1.024 413 N CA 1.393 54.398 53.050 -0.076 0.000 0.852 413 N CB -0.366 38.084 38.487 -0.063 0.000 1.003 413 N HN 0.203 nan 8.380 nan 0.000 0.424 414 V N 1.367 121.189 119.914 -0.153 0.000 2.515 414 V HA -0.118 4.002 4.120 -0.000 0.000 0.250 414 V C 2.451 178.358 176.094 -0.311 0.000 1.058 414 V CA 1.474 63.646 62.300 -0.213 0.000 1.064 414 V CB -1.061 30.599 31.823 -0.271 0.000 0.675 414 V HN 0.232 nan 8.190 nan 0.000 0.461 415 A N 0.590 123.136 122.820 -0.457 0.000 1.851 415 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 415 A C 2.434 179.990 177.584 -0.047 0.000 1.195 415 A CA 2.356 54.131 52.037 -0.436 0.000 0.622 415 A CB -0.920 17.652 19.000 -0.712 0.000 0.831 415 A HN 0.306 nan 8.150 nan 0.000 0.444 416 V N -0.240 119.690 119.914 0.026 0.000 2.231 416 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 416 V C 2.555 178.708 176.094 0.098 0.000 1.054 416 V CA 2.246 64.615 62.300 0.116 0.000 1.015 416 V CB -0.938 30.865 31.823 -0.034 0.000 0.638 416 V HN 0.498 nan 8.190 nan 0.000 0.444 417 L N -0.492 120.722 121.223 -0.014 0.000 2.042 417 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 417 L C 2.437 179.352 176.870 0.075 0.000 1.076 417 L CA 2.228 57.066 54.840 -0.002 0.000 0.749 417 L CB -1.203 40.847 42.059 -0.014 0.000 0.893 417 L HN 0.526 nan 8.230 nan 0.000 0.432 418 H N -1.092 117.955 119.070 -0.038 0.000 2.276 418 H HA -0.109 4.447 4.556 -0.000 0.000 0.301 418 H C 2.205 177.546 175.328 0.022 0.000 1.073 418 H CA 1.605 57.629 56.048 -0.041 0.000 1.311 418 H CB 0.372 30.056 29.762 -0.130 0.000 1.379 418 H HN 0.270 nan 8.280 nan 0.000 0.494 419 S N 0.513 116.197 115.700 -0.027 0.000 2.368 419 S HA -0.185 4.285 4.470 -0.000 0.000 0.226 419 S C 2.024 176.598 174.600 -0.042 0.000 1.044 419 S CA 1.767 59.936 58.200 -0.052 0.000 1.062 419 S CB -0.635 62.630 63.200 0.107 0.000 0.931 419 S HN 0.294 nan 8.310 nan 0.000 0.440 420 F N 1.443 121.338 119.950 -0.093 0.000 2.075 420 F HA -0.114 4.413 4.527 0.000 0.000 0.297 420 F C 2.828 178.569 175.800 -0.099 0.000 1.113 420 F CA 1.551 59.508 58.000 -0.073 0.000 1.218 420 F CB -0.837 38.134 39.000 -0.048 0.000 0.984 420 F HN 0.192 nan 8.300 nan 0.000 0.472 421 Q N 0.446 120.305 119.800 0.098 0.000 2.152 421 Q HA -0.282 4.058 4.340 -0.000 0.000 0.206 421 Q C 2.274 178.229 176.000 -0.075 0.000 0.985 421 Q CA 1.997 57.800 55.803 0.001 0.000 0.863 421 Q CB -0.129 28.607 28.738 -0.003 0.000 0.904 421 Q HN 0.374 nan 8.270 nan 0.000 0.422 422 K N 0.039 120.334 120.400 -0.176 0.000 2.001 422 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 422 K C 1.409 177.926 176.600 -0.138 0.000 1.048 422 K CA 1.502 57.660 56.287 -0.215 0.000 0.932 422 K CB 0.085 32.336 32.500 -0.414 0.000 0.715 422 K HN 0.251 nan 8.250 nan 0.000 0.437 423 Q N 0.981 120.696 119.800 -0.141 0.000 2.344 423 Q HA 0.054 4.394 4.340 -0.000 0.000 0.212 423 Q C -0.543 175.398 176.000 -0.099 0.000 0.943 423 Q CA -0.142 55.586 55.803 -0.124 0.000 0.955 423 Q CB -0.039 28.600 28.738 -0.165 0.000 1.000 423 Q HN 0.309 nan 8.270 nan 0.000 0.488 424 N N 0.365 119.020 118.700 -0.074 0.000 2.716 424 N HA -0.163 4.577 4.740 -0.000 0.000 0.250 424 N C -1.309 174.178 175.510 -0.039 0.000 1.033 424 N CA 0.462 53.481 53.050 -0.052 0.000 0.727 424 N CB -0.664 37.792 38.487 -0.053 0.000 0.950 424 N HN 0.049 nan 8.380 nan 0.000 0.541 425 V N 1.154 121.062 119.914 -0.010 0.000 2.398 425 V HA 0.200 4.320 4.120 -0.000 0.000 0.286 425 V C 0.828 177.015 176.094 0.155 0.000 1.026 425 V CA -0.616 61.717 62.300 0.055 0.000 0.868 425 V CB 1.882 33.689 31.823 -0.026 0.000 0.982 425 V HN 0.118 nan 8.190 nan 0.000 0.443 426 T N 6.799 121.390 114.554 0.061 0.000 2.871 426 T HA 0.380 4.730 4.350 -0.000 0.000 0.296 426 T C -0.229 174.485 174.700 0.022 0.000 0.998 426 T CA 0.922 62.971 62.100 -0.085 0.000 1.162 426 T CB -0.031 68.660 68.868 -0.295 0.000 0.947 426 T HN 0.565 nan 8.240 nan 0.000 0.536 427 I N 2.648 123.166 120.570 -0.087 0.000 3.093 427 I HA 0.649 4.819 4.170 -0.000 0.000 0.308 427 I C -1.544 174.536 176.117 -0.061 0.000 1.303 427 I CA -1.298 59.965 61.300 -0.063 0.000 0.975 427 I CB 2.256 40.116 38.000 -0.233 0.000 1.286 427 I HN 0.622 nan 8.210 nan 0.000 0.459 428 M N 4.509 124.137 119.600 0.046 0.000 2.326 428 M HA 0.381 4.861 4.480 -0.000 0.000 0.292 428 M C -1.795 174.550 176.300 0.076 0.000 1.081 428 M CA -0.513 54.843 55.300 0.095 0.000 0.919 428 M CB 1.785 34.542 32.600 0.261 0.000 1.634 428 M HN 0.612 nan 8.290 nan 0.000 0.451 429 D N 2.014 122.466 120.400 0.085 0.000 2.313 429 D HA 0.128 4.768 4.640 -0.000 0.000 0.247 429 D C 1.117 177.519 176.300 0.170 0.000 1.094 429 D CA -0.183 53.907 54.000 0.149 0.000 0.925 429 D CB 0.620 41.511 40.800 0.151 0.000 1.188 429 D HN 0.684 nan 8.370 nan 0.000 0.430 430 H N 0.986 120.006 119.070 -0.084 0.000 2.421 430 H HA -0.176 4.380 4.556 -0.000 0.000 0.298 430 H C 1.088 176.310 175.328 -0.177 0.000 1.087 430 H CA 1.572 57.521 56.048 -0.166 0.000 1.330 430 H CB -0.838 28.762 29.762 -0.269 0.000 1.388 430 H HN 0.569 nan 8.280 nan 0.000 0.526 431 H N 1.088 119.981 119.070 -0.294 0.000 2.299 431 H HA -0.080 4.476 4.556 -0.000 0.000 0.302 431 H C 2.374 177.669 175.328 -0.055 0.000 1.078 431 H CA 2.469 58.390 56.048 -0.212 0.000 1.323 431 H CB -0.344 29.270 29.762 -0.247 0.000 1.381 431 H HN 0.608 nan 8.280 nan 0.000 0.498 432 T N -0.476 114.142 114.554 0.107 0.000 2.833 432 T HA -0.011 4.339 4.350 -0.000 0.000 0.269 432 T C 2.322 177.088 174.700 0.109 0.000 1.054 432 T CA 1.030 63.187 62.100 0.096 0.000 1.135 432 T CB -0.471 68.448 68.868 0.085 0.000 0.869 432 T HN 0.347 nan 8.240 nan 0.000 0.466 433 A N 1.887 124.771 122.820 0.107 0.000 1.877 433 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 433 A C 2.719 180.382 177.584 0.131 0.000 1.186 433 A CA 1.912 54.025 52.037 0.126 0.000 0.620 433 A CB -1.124 17.937 19.000 0.103 0.000 0.822 433 A HN 0.514 nan 8.150 nan 0.000 0.443 434 S N -0.191 115.558 115.700 0.081 0.000 2.368 434 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 434 S C 1.826 176.526 174.600 0.166 0.000 1.030 434 S CA 1.510 59.768 58.200 0.097 0.000 0.999 434 S CB -0.327 62.884 63.200 0.018 0.000 0.844 434 S HN 0.690 nan 8.310 nan 0.000 0.459 435 E N 1.177 121.455 120.200 0.131 0.000 2.106 435 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 435 E C 2.391 179.072 176.600 0.135 0.000 0.984 435 E CA 1.367 57.841 56.400 0.124 0.000 0.806 435 E CB -0.183 29.573 29.700 0.095 0.000 0.750 435 E HN 0.637 nan 8.360 nan 0.000 0.458 436 S N 0.447 116.238 115.700 0.152 0.000 2.406 436 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 436 S C 1.866 176.578 174.600 0.187 0.000 1.020 436 S CA 0.351 58.642 58.200 0.151 0.000 0.965 436 S CB -0.376 62.917 63.200 0.154 0.000 0.798 436 S HN 0.284 nan 8.310 nan 0.000 0.488 437 F N 2.224 122.228 119.950 0.091 0.000 2.163 437 F HA 0.121 4.648 4.527 -0.000 0.000 0.297 437 F C 2.322 178.203 175.800 0.136 0.000 1.094 437 F CA 1.227 59.297 58.000 0.117 0.000 1.290 437 F CB -0.293 38.751 39.000 0.074 0.000 1.017 437 F HN 0.073 nan 8.300 nan 0.000 0.483 438 M N 0.186 119.893 119.600 0.178 0.000 2.149 438 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 438 M C 2.172 178.459 176.300 -0.021 0.000 1.064 438 M CA 1.563 56.906 55.300 0.071 0.000 1.102 438 M CB -1.115 31.558 32.600 0.122 0.000 1.369 438 M HN 0.091 nan 8.290 nan 0.000 0.408 439 K N -0.582 119.831 120.400 0.021 0.000 2.097 439 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 439 K C 1.963 178.552 176.600 -0.019 0.000 1.050 439 K CA 1.488 57.783 56.287 0.014 0.000 0.938 439 K CB -0.389 32.142 32.500 0.052 0.000 0.718 439 K HN 0.330 nan 8.250 nan 0.000 0.442 440 H N -0.254 118.722 119.070 -0.157 0.000 2.321 440 H HA -0.004 4.552 4.556 -0.000 0.000 0.300 440 H C 1.868 177.033 175.328 -0.272 0.000 1.087 440 H CA 2.334 58.250 56.048 -0.219 0.000 1.319 440 H CB -0.079 29.489 29.762 -0.323 0.000 1.379 440 H HN 0.136 nan 8.280 nan 0.000 0.501 441 M N 0.009 119.298 119.600 -0.518 0.000 2.082 441 M HA -0.266 4.214 4.480 -0.000 0.000 0.258 441 M C 2.332 178.553 176.300 -0.131 0.000 1.069 441 M CA 2.091 57.173 55.300 -0.365 0.000 1.102 441 M CB -0.150 32.297 32.600 -0.255 0.000 1.336 441 M HN 0.480 nan 8.290 nan 0.000 0.404 442 Q N -0.091 119.634 119.800 -0.126 0.000 2.030 442 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 442 Q C 1.734 177.707 176.000 -0.046 0.000 0.986 442 Q CA 1.667 57.434 55.803 -0.060 0.000 0.843 442 Q CB -0.283 28.426 28.738 -0.049 0.000 0.904 442 Q HN 0.539 nan 8.270 nan 0.000 0.420 443 N N 0.614 119.259 118.700 -0.092 0.000 2.069 443 N HA -0.195 4.545 4.740 -0.000 0.000 0.191 443 N C 1.671 177.105 175.510 -0.126 0.000 1.031 443 N CA 1.280 54.285 53.050 -0.075 0.000 0.852 443 N CB -0.289 38.175 38.487 -0.038 0.000 1.018 443 N HN 0.207 nan 8.380 nan 0.000 0.423 444 E N 0.137 120.171 120.200 -0.277 0.000 2.077 444 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 444 E C 1.686 178.157 176.600 -0.214 0.000 0.989 444 E CA 1.094 57.290 56.400 -0.340 0.000 0.800 444 E CB -0.251 29.101 29.700 -0.579 0.000 0.746 444 E HN 0.407 nan 8.360 nan 0.000 0.452 445 Y N -0.015 120.173 120.300 -0.187 0.000 2.242 445 Y HA -0.040 4.510 4.550 -0.000 0.000 0.291 445 Y C 2.481 178.331 175.900 -0.084 0.000 1.137 445 Y CA 1.571 59.605 58.100 -0.111 0.000 1.181 445 Y CB -0.086 38.323 38.460 -0.085 0.000 0.989 445 Y HN -0.024 nan 8.280 nan 0.000 0.527 446 R N -0.102 120.436 120.500 0.063 0.000 2.115 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 2.119 178.410 176.300 -0.015 0.000 1.100 446 R CA 1.015 57.129 56.100 0.022 0.000 0.980 446 R CB -0.197 30.111 30.300 0.013 0.000 0.875 446 R HN 0.324 nan 8.270 nan 0.000 0.445 447 A N 1.527 124.319 122.820 -0.046 0.000 1.850 447 A HA -0.097 4.223 4.320 -0.000 0.000 0.212 447 A C 1.825 179.359 177.584 -0.083 0.000 1.208 447 A CA 1.145 53.148 52.037 -0.057 0.000 0.609 447 A CB -0.111 18.852 19.000 -0.061 0.000 0.860 447 A HN 0.461 nan 8.150 nan 0.000 0.448 448 R N -1.575 118.843 120.500 -0.136 0.000 2.508 448 R HA 0.395 4.735 4.340 -0.000 0.000 0.300 448 R C 0.755 176.957 176.300 -0.165 0.000 0.970 448 R CA 0.507 56.521 56.100 -0.144 0.000 1.102 448 R CB -0.263 29.935 30.300 -0.170 0.000 1.246 448 R HN 0.871 nan 8.270 nan 0.000 0.539 449 G N 0.214 108.910 108.800 -0.173 0.000 2.272 449 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.280 449 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.280 449 G C 0.186 174.843 174.900 -0.405 0.000 1.067 449 G CA 0.096 45.088 45.100 -0.181 0.000 0.902 449 G HN 0.919 nan 8.290 nan 0.000 0.500 450 G N -2.480 105.827 108.800 -0.822 0.000 2.336 450 G HA2 0.570 4.530 3.960 -0.000 0.000 0.300 450 G HA3 0.570 4.530 3.960 -0.000 0.000 0.300 450 G C -0.811 173.565 174.900 -0.872 0.000 1.375 450 G CA 0.332 44.739 45.100 -1.155 0.000 0.885 450 G HN 1.993 nan 8.290 nan 0.000 0.599 451 C N 1.999 120.996 119.300 -0.506 0.000 3.029 451 C HA 0.582 5.042 4.460 -0.000 0.000 0.396 451 C C -2.624 172.258 174.990 -0.179 0.000 1.072 451 C CA -0.999 57.870 59.018 -0.248 0.000 1.269 451 C CB 1.040 28.697 27.740 -0.138 0.000 1.684 451 C HN 0.702 nan 8.230 nan 0.000 0.510 452 P HA 0.357 nan 4.420 nan 0.000 0.265 452 P C -0.519 176.649 177.300 -0.221 0.000 1.222 452 P CA 0.728 63.368 63.100 -0.768 0.000 0.767 452 P CB 0.838 32.010 31.700 -0.881 0.000 0.801 453 A N 3.128 125.905 122.820 -0.071 0.000 2.374 453 A HA 0.416 4.736 4.320 -0.000 0.000 0.305 453 A C -0.786 176.857 177.584 0.097 0.000 1.053 453 A CA -0.568 51.529 52.037 0.100 0.000 0.726 453 A CB 1.200 20.367 19.000 0.278 0.000 1.229 453 A HN 0.436 nan 8.150 nan 0.000 0.431 454 D N 2.269 122.718 120.400 0.081 0.000 2.443 454 D HA 0.121 4.761 4.640 -0.000 0.000 0.221 454 D C 0.776 177.192 176.300 0.194 0.000 1.097 454 D CA -0.507 53.572 54.000 0.131 0.000 0.865 454 D CB 0.404 41.248 40.800 0.074 0.000 1.034 454 D HN 0.627 nan 8.370 nan 0.000 0.511 455 W N 4.749 126.074 121.300 0.041 0.000 2.317 455 W HA -0.236 4.424 4.660 0.000 0.000 0.318 455 W C 1.848 178.383 176.519 0.026 0.000 1.227 455 W CA 1.313 58.663 57.345 0.007 0.000 1.269 455 W CB -0.130 29.313 29.460 -0.027 0.000 1.155 455 W HN 0.462 nan 8.180 nan 0.000 0.484 456 I N -0.908 119.957 120.570 0.491 0.000 2.236 456 I HA -0.340 3.830 4.170 -0.000 0.000 0.249 456 I C 1.852 178.042 176.117 0.122 0.000 1.102 456 I CA 1.711 63.229 61.300 0.363 0.000 1.365 456 I CB -0.704 37.529 38.000 0.389 0.000 1.051 456 I HN 0.167 nan 8.210 nan 0.000 0.420 457 W N 0.213 121.478 121.300 -0.059 0.000 2.588 457 W HA 0.111 4.771 4.660 -0.000 0.000 0.277 457 W C 2.323 178.712 176.519 -0.217 0.000 1.221 457 W CA 0.256 57.531 57.345 -0.116 0.000 1.355 457 W CB -0.399 29.015 29.460 -0.077 0.000 1.083 457 W HN -0.064 nan 8.180 nan 0.000 0.581 458 L N -0.149 121.015 121.223 -0.098 0.000 2.141 458 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 458 L C 0.641 177.263 176.870 -0.412 0.000 1.094 458 L CA 0.446 55.096 54.840 -0.317 0.000 0.763 458 L CB -1.016 40.780 42.059 -0.439 0.000 0.908 458 L HN -0.392 nan 8.230 nan 0.000 0.437 459 V N 1.449 121.034 119.914 -0.549 0.000 2.439 459 V HA 0.112 4.232 4.120 -0.000 0.000 0.271 459 V C -1.844 174.029 176.094 -0.368 0.000 1.040 459 V CA -1.343 60.615 62.300 -0.571 0.000 1.002 459 V CB 0.338 31.551 31.823 -1.017 0.000 1.000 459 V HN 0.046 nan 8.190 nan 0.000 0.477 460 P HA 0.030 nan 4.420 nan 0.000 0.266 460 P C -1.707 175.464 177.300 -0.215 0.000 1.186 460 P CA -0.794 62.176 63.100 -0.216 0.000 0.767 460 P CB 0.055 31.693 31.700 -0.104 0.000 0.820 461 P HA -0.071 nan 4.420 nan 0.000 0.231 461 P C -0.066 177.138 177.300 -0.160 0.000 1.158 461 P CA 1.085 64.062 63.100 -0.205 0.000 0.763 461 P CB 0.081 31.642 31.700 -0.231 0.000 0.805 462 V N -6.734 113.083 119.914 -0.161 0.000 3.087 462 V HA 0.580 4.700 4.120 -0.000 0.000 0.306 462 V C 0.118 176.202 176.094 -0.018 0.000 1.187 462 V CA -0.899 61.343 62.300 -0.096 0.000 0.999 462 V CB 1.444 33.200 31.823 -0.111 0.000 1.049 462 V HN -0.120 nan 8.190 nan 0.000 0.431 463 S N 1.333 117.031 115.700 -0.004 0.000 3.748 463 S HA -0.171 4.299 4.470 -0.000 0.000 0.329 463 S C 1.543 176.094 174.600 -0.083 0.000 1.104 463 S CA 1.229 59.428 58.200 -0.003 0.000 0.954 463 S CB -1.544 61.705 63.200 0.082 0.000 0.910 463 S HN 2.159 nan 8.310 nan 0.000 0.494 464 G N 2.527 111.260 108.800 -0.112 0.000 2.812 464 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.218 464 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.218 464 G C 1.444 176.098 174.900 -0.411 0.000 1.287 464 G CA 1.726 46.741 45.100 -0.143 0.000 0.796 464 G HN 1.385 nan 8.290 nan 0.000 0.649 465 S N 0.189 115.350 115.700 -0.899 0.000 2.555 465 S HA 0.083 4.553 4.470 -0.000 0.000 0.230 465 S C 2.020 176.487 174.600 -0.221 0.000 0.978 465 S CA 0.671 58.266 58.200 -1.008 0.000 0.934 465 S CB -0.014 62.591 63.200 -0.991 0.000 0.766 465 S HN 0.232 nan 8.310 nan 0.000 0.533 466 I N 2.859 123.355 120.570 -0.123 0.000 2.761 466 I HA 0.025 4.195 4.170 -0.000 0.000 0.261 466 I C 1.290 177.458 176.117 0.084 0.000 1.198 466 I CA 0.605 61.924 61.300 0.033 0.000 1.482 466 I CB -1.982 36.063 38.000 0.074 0.000 1.100 466 I HN 0.440 nan 8.210 nan 0.000 0.445 467 T N -1.284 113.274 114.554 0.007 0.000 2.889 467 T HA 0.296 4.646 4.350 -0.000 0.000 0.291 467 T C -1.746 173.016 174.700 0.103 0.000 0.995 467 T CA -1.652 60.461 62.100 0.022 0.000 1.092 467 T CB 1.861 70.682 68.868 -0.078 0.000 0.954 467 T HN -0.139 nan 8.240 nan 0.000 0.506 468 P HA -0.090 nan 4.420 nan 0.000 0.218 468 P C 1.811 179.240 177.300 0.215 0.000 1.148 468 P CA 0.736 63.973 63.100 0.229 0.000 0.822 468 P CB -0.237 31.567 31.700 0.173 0.000 0.784 469 V N -3.803 116.187 119.914 0.127 0.000 3.078 469 V HA -0.152 3.968 4.120 -0.000 0.000 0.265 469 V C 1.878 178.006 176.094 0.056 0.000 1.122 469 V CA 1.217 63.569 62.300 0.087 0.000 1.141 469 V CB -1.811 29.988 31.823 -0.042 0.000 0.735 469 V HN -0.042 nan 8.190 nan 0.000 0.498 470 F N 2.097 121.962 119.950 -0.142 0.000 2.293 470 F HA 0.095 4.622 4.527 -0.000 0.000 0.297 470 F C 1.983 177.847 175.800 0.106 0.000 1.089 470 F CA 1.766 59.729 58.000 -0.062 0.000 1.377 470 F CB -0.177 38.642 39.000 -0.303 0.000 1.051 470 F HN 0.354 nan 8.300 nan 0.000 0.511 471 H N -1.395 117.974 119.070 0.500 0.000 2.524 471 H HA 0.181 4.737 4.556 -0.000 0.000 0.280 471 H C 0.037 175.494 175.328 0.215 0.000 1.018 471 H CA -0.118 56.130 56.048 0.333 0.000 1.165 471 H CB -0.011 29.916 29.762 0.274 0.000 1.411 471 H HN 0.083 nan 8.280 nan 0.000 0.569 472 Q N 2.027 122.011 119.800 0.306 0.000 2.372 472 Q HA 0.160 4.500 4.340 -0.000 0.000 0.259 472 Q C -0.786 175.352 176.000 0.229 0.000 0.993 472 Q CA -0.482 55.460 55.803 0.233 0.000 0.854 472 Q CB 0.599 29.473 28.738 0.227 0.000 1.231 472 Q HN 0.341 nan 8.270 nan 0.000 0.462 473 E N 4.171 124.443 120.200 0.120 0.000 2.360 473 E HA 0.329 4.679 4.350 -0.000 0.000 0.269 473 E C -0.308 176.367 176.600 0.126 0.000 1.022 473 E CA 0.157 56.598 56.400 0.067 0.000 0.887 473 E CB 0.646 30.356 29.700 0.017 0.000 0.990 473 E HN 0.666 nan 8.360 nan 0.000 0.426 474 M N 0.890 120.582 119.600 0.153 0.000 2.531 474 M HA 0.459 4.939 4.480 -0.000 0.000 0.286 474 M C -1.567 174.848 176.300 0.192 0.000 1.232 474 M CA -1.248 54.177 55.300 0.209 0.000 0.877 474 M CB 1.231 33.999 32.600 0.281 0.000 1.726 474 M HN 0.144 nan 8.290 nan 0.000 0.463 475 L N 2.178 123.549 121.223 0.247 0.000 2.307 475 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 475 L C -0.421 176.593 176.870 0.240 0.000 1.023 475 L CA 0.033 55.044 54.840 0.284 0.000 0.810 475 L CB 1.464 43.767 42.059 0.407 0.000 1.231 475 L HN 0.826 nan 8.230 nan 0.000 0.423 476 N N 3.421 122.242 118.700 0.201 0.000 2.469 476 N HA 0.444 5.184 4.740 -0.000 0.000 0.253 476 N C -1.719 173.878 175.510 0.144 0.000 0.970 476 N CA -0.373 52.720 53.050 0.072 0.000 0.940 476 N CB 0.829 39.358 38.487 0.070 0.000 1.128 476 N HN 0.498 nan 8.380 nan 0.000 0.503 477 Y N 0.118 120.413 120.300 -0.007 0.000 2.562 477 Y HA 0.531 5.081 4.550 0.000 0.000 0.345 477 Y C -1.043 174.789 175.900 -0.113 0.000 1.045 477 Y CA -1.223 56.840 58.100 -0.062 0.000 1.028 477 Y CB 0.591 39.017 38.460 -0.058 0.000 1.297 477 Y HN -0.085 nan 8.280 nan 0.000 0.463 478 V N 4.424 124.275 119.914 -0.105 0.000 2.364 478 V HA 0.362 4.482 4.120 -0.000 0.000 0.272 478 V C 0.155 176.082 176.094 -0.279 0.000 1.036 478 V CA -0.407 61.587 62.300 -0.510 0.000 0.880 478 V CB 0.355 31.680 31.823 -0.830 0.000 0.991 478 V HN 0.741 nan 8.190 nan 0.000 0.460 479 L N 2.948 124.076 121.223 -0.159 0.000 2.585 479 L HA 0.732 5.072 4.340 -0.000 0.000 0.260 479 L C 0.267 177.134 176.870 -0.005 0.000 1.085 479 L CA -0.522 54.311 54.840 -0.012 0.000 0.913 479 L CB 1.721 43.819 42.059 0.065 0.000 1.638 479 L HN 0.600 nan 8.230 nan 0.000 0.531 480 S N 0.132 115.859 115.700 0.045 0.000 2.548 480 S HA 0.550 5.020 4.470 -0.000 0.000 0.276 480 S C -2.675 171.986 174.600 0.101 0.000 1.129 480 S CA -1.241 57.004 58.200 0.076 0.000 0.931 480 S CB 1.866 65.088 63.200 0.037 0.000 1.068 480 S HN 0.273 nan 8.310 nan 0.000 0.480 481 P HA 0.365 nan 4.420 nan 0.000 0.271 481 P C -1.036 176.275 177.300 0.018 0.000 1.244 481 P CA -0.170 62.940 63.100 0.017 0.000 0.793 481 P CB 0.275 31.932 31.700 -0.071 0.000 0.984 482 F N -0.422 119.376 119.950 -0.255 0.000 2.703 482 F HA 0.354 4.881 4.527 0.000 0.000 0.308 482 F C -1.518 174.055 175.800 -0.379 0.000 1.126 482 F CA -0.823 56.957 58.000 -0.367 0.000 0.959 482 F CB 1.219 40.000 39.000 -0.364 0.000 1.297 482 F HN 0.106 nan 8.300 nan 0.000 0.441 483 Y N 4.759 124.665 120.300 -0.657 0.000 2.518 483 Y HA 0.404 4.954 4.550 -0.000 0.000 0.344 483 Y C -0.789 174.901 175.900 -0.350 0.000 0.982 483 Y CA -0.664 57.221 58.100 -0.357 0.000 1.234 483 Y CB 0.028 38.224 38.460 -0.441 0.000 1.114 483 Y HN 0.350 nan 8.280 nan 0.000 0.515 484 Y N 1.184 121.574 120.300 0.150 0.000 2.374 484 Y HA 0.315 4.865 4.550 -0.000 0.000 0.322 484 Y C -0.053 175.912 175.900 0.107 0.000 1.275 484 Y CA -0.852 57.326 58.100 0.129 0.000 1.307 484 Y CB 0.587 39.144 38.460 0.162 0.000 1.282 484 Y HN 0.386 nan 8.280 nan 0.000 0.509 485 Y N 0.617 121.062 120.300 0.242 0.000 2.334 485 Y HA 0.368 4.918 4.550 -0.000 0.000 0.325 485 Y C -0.099 175.861 175.900 0.100 0.000 1.308 485 Y CA -1.460 56.705 58.100 0.108 0.000 1.389 485 Y CB 0.750 39.240 38.460 0.049 0.000 1.328 485 Y HN 0.450 nan 8.280 nan 0.000 0.532 486 Q N 0.014 119.931 119.800 0.195 0.000 2.377 486 Q HA 0.534 4.874 4.340 -0.000 0.000 0.279 486 Q C -1.450 174.514 176.000 -0.061 0.000 1.049 486 Q CA -0.958 54.881 55.803 0.060 0.000 0.825 486 Q CB 2.011 30.769 28.738 0.034 0.000 1.401 486 Q HN 0.561 nan 8.270 nan 0.000 0.404 487 I N 1.946 122.461 120.570 -0.091 0.000 2.826 487 I HA -0.102 4.068 4.170 -0.000 0.000 0.295 487 I C 0.426 176.336 176.117 -0.345 0.000 1.213 487 I CA 0.441 61.635 61.300 -0.177 0.000 1.436 487 I CB 0.125 38.042 38.000 -0.137 0.000 1.348 487 I HN 0.544 nan 8.210 nan 0.000 0.570 488 E N 9.217 129.111 120.200 -0.510 0.000 2.606 488 E HA -0.073 4.277 4.350 -0.000 0.000 0.248 488 E C -1.283 174.687 176.600 -1.050 0.000 1.005 488 E CA -0.954 54.855 56.400 -0.985 0.000 0.946 488 E CB 0.145 29.017 29.700 -1.379 0.000 0.928 488 E HN 0.466 nan 8.360 nan 0.000 0.494 489 P HA -0.217 nan 4.420 nan 0.000 0.217 489 P C 0.949 177.700 177.300 -0.915 0.000 1.151 489 P CA 1.659 64.161 63.100 -0.996 0.000 0.849 489 P CB -0.174 30.642 31.700 -1.473 0.000 0.787 490 W N 0.894 121.720 121.300 -0.789 0.000 2.595 490 W HA 0.144 4.804 4.660 0.000 0.000 0.257 490 W C 1.722 178.258 176.519 0.028 0.000 1.267 490 W CA 0.465 57.661 57.345 -0.249 0.000 1.300 490 W CB -1.334 28.158 29.460 0.053 0.000 1.120 490 W HN -0.112 nan 8.180 nan 0.000 0.618 491 K N 0.593 120.881 120.400 -0.188 0.000 2.243 491 K HA 0.025 4.345 4.320 -0.000 0.000 0.201 491 K C 0.556 177.165 176.600 0.016 0.000 1.051 491 K CA 1.430 57.692 56.287 -0.041 0.000 0.970 491 K CB -0.159 32.236 32.500 -0.174 0.000 0.755 491 K HN 0.169 nan 8.250 nan 0.000 0.465 492 T N -1.150 113.390 114.554 -0.024 0.000 3.317 492 T HA 0.297 4.647 4.350 -0.000 0.000 0.361 492 T C -1.164 173.622 174.700 0.143 0.000 1.499 492 T CA -0.849 61.273 62.100 0.038 0.000 1.529 492 T CB 0.209 69.061 68.868 -0.027 0.000 0.997 492 T HN 0.110 nan 8.240 nan 0.000 0.624 493 H N 1.155 120.295 119.070 0.116 0.000 3.038 493 H HA 0.609 5.165 4.556 -0.000 0.000 0.362 493 H C -1.558 173.885 175.328 0.191 0.000 1.167 493 H CA -0.885 55.246 56.048 0.138 0.000 1.197 493 H CB 1.118 31.008 29.762 0.214 0.000 1.840 493 H HN 0.444 nan 8.280 nan 0.000 0.540 494 I N 3.628 123.901 120.570 -0.494 0.000 2.365 494 I HA 0.123 4.293 4.170 -0.000 0.000 0.291 494 I C -0.592 175.309 176.117 -0.360 0.000 1.004 494 I CA 0.000 61.150 61.300 -0.250 0.000 1.311 494 I CB 0.533 38.418 38.000 -0.191 0.000 1.401 494 I HN 0.476 nan 8.210 nan 0.000 0.491 495 W N 7.006 128.267 121.300 -0.064 0.000 2.295 495 W HA 0.397 5.057 4.660 -0.000 0.000 0.333 495 W C 0.390 176.910 176.519 0.001 0.000 0.990 495 W CA -0.548 56.808 57.345 0.019 0.000 1.453 495 W CB 0.487 29.997 29.460 0.084 0.000 1.263 495 W HN 0.468 nan 8.180 nan 0.000 0.380 496 Q N 0.000 119.856 119.800 0.094 0.000 2.315 496 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 496 Q CA 0.000 55.846 55.803 0.072 0.000 1.022 496 Q CB 0.000 28.739 28.738 0.002 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481