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 3ej8_1_D DATA FIRST_RESID 83 DATA SEQUENCE RHVRIKNWGS GMTFQDTLHH KAKGILTCRS KSCLGSIMTP KSLTRGPRDK DATA SEQUENCE PTPPDELLPQ AIEFVNQYYG SFKEAKIEEH LARVEAVTKE IETTGTYQLT DATA SEQUENCE GDELIFATKQ AWRNAPRCIG RIQWSNLQVF DARSCSTARE MFEHICRHVR DATA SEQUENCE YSTNNGNIRS AITVFPQRSD GKHDFRVWNA QLIRYAGYQM PDGSIRGDPA DATA SEQUENCE NVEITQLCID LGWKPKYGRF DVLPLVLQAN GRDPELFEIP PDLVLEVAME DATA SEQUENCE HPKYEWFREL ELKWYALPAV ANMLLEVGGL EFPGCPFNGW YMGTEIGVRD DATA SEQUENCE FCDVQRYNIL EEVGRRMGLE THKLASLWKD QAVVEINIAV LHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ D 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 83 R HA 0.000 nan 4.340 nan 0.000 0.208 83 R C 0.000 176.499 176.300 0.331 0.000 0.893 83 R CA 0.000 56.178 56.100 0.130 0.000 0.921 83 R CB 0.000 30.301 30.300 0.002 0.000 0.687 84 H N -1.346 117.856 119.070 0.221 0.000 2.985 84 H HA 0.826 5.383 4.556 0.002 0.000 0.360 84 H C -1.030 174.363 175.328 0.109 0.000 1.221 84 H CA -0.597 55.586 56.048 0.224 0.000 1.121 84 H CB 1.818 31.679 29.762 0.165 0.000 1.854 84 H HN 0.497 nan 8.280 nan 0.000 0.551 85 V N 1.796 121.800 119.914 0.150 0.000 2.435 85 V HA 0.411 4.532 4.120 0.001 0.000 0.290 85 V C 0.308 176.490 176.094 0.147 0.000 1.030 85 V CA -0.839 61.471 62.300 0.018 0.000 0.881 85 V CB 1.174 32.878 31.823 -0.198 0.000 0.983 85 V HN 0.806 nan 8.190 nan 0.000 0.445 86 R N 5.018 125.583 120.500 0.109 0.000 2.368 86 R HA 0.742 5.082 4.340 0.001 0.000 0.302 86 R C -0.922 175.390 176.300 0.019 0.000 1.002 86 R CA -0.438 55.718 56.100 0.092 0.000 0.929 86 R CB 1.044 31.391 30.300 0.078 0.000 1.073 86 R HN 0.854 nan 8.270 nan 0.000 0.464 87 I N 0.847 121.403 120.570 -0.023 0.000 2.686 87 I HA 0.567 4.737 4.170 0.001 0.000 0.295 87 I C -1.326 174.674 176.117 -0.196 0.000 1.114 87 I CA -1.128 60.140 61.300 -0.054 0.000 1.038 87 I CB 2.281 40.293 38.000 0.020 0.000 1.238 87 I HN 0.598 nan 8.210 nan 0.000 0.420 88 K N 2.759 122.982 120.400 -0.294 0.000 2.433 88 K HA 0.553 4.874 4.320 0.001 0.000 0.252 88 K C -1.369 174.942 176.600 -0.482 0.000 1.015 88 K CA -0.895 55.091 56.287 -0.502 0.000 0.860 88 K CB 1.815 33.883 32.500 -0.719 0.000 1.359 88 K HN 0.621 nan 8.250 nan 0.000 0.452 89 N N 0.558 118.994 118.700 -0.441 0.000 2.501 89 N HA 0.254 4.995 4.740 0.001 0.000 0.245 89 N C -0.868 174.531 175.510 -0.185 0.000 0.974 89 N CA -0.815 52.129 53.050 -0.177 0.000 0.941 89 N CB 0.458 38.884 38.487 -0.102 0.000 1.122 89 N HN 0.637 nan 8.380 nan 0.000 0.507 90 W N 1.984 123.360 121.300 0.127 0.000 2.961 90 W HA 0.205 4.865 4.660 0.001 0.000 0.240 90 W C 1.811 178.385 176.519 0.091 0.000 1.305 90 W CA -0.229 57.186 57.345 0.117 0.000 1.465 90 W CB 0.288 29.850 29.460 0.170 0.000 1.135 90 W HN 0.628 nan 8.180 nan 0.000 0.688 91 G N -0.591 108.332 108.800 0.205 0.000 2.576 91 G HA2 -0.108 3.853 3.960 0.001 0.000 0.210 91 G HA3 -0.108 3.853 3.960 0.001 0.000 0.210 91 G C 1.529 176.423 174.900 -0.009 0.000 1.143 91 G CA 0.929 46.032 45.100 0.005 0.000 0.819 91 G HN 0.259 nan 8.290 nan 0.000 0.534 92 S N -1.439 114.251 115.700 -0.017 0.000 2.527 92 S HA 0.393 4.864 4.470 0.001 0.000 0.227 92 S C 1.893 176.443 174.600 -0.083 0.000 1.059 92 S CA 1.151 59.322 58.200 -0.049 0.000 0.919 92 S CB 0.364 63.528 63.200 -0.060 0.000 0.805 92 S HN 1.498 nan 8.310 nan 0.000 0.500 93 G N 1.388 110.111 108.800 -0.128 0.000 2.195 93 G HA2 -0.274 3.687 3.960 0.001 0.000 0.246 93 G HA3 -0.274 3.687 3.960 0.001 0.000 0.246 93 G C 0.037 174.785 174.900 -0.253 0.000 0.984 93 G CA 0.230 45.222 45.100 -0.180 0.000 0.633 93 G HN 0.605 nan 8.290 nan 0.000 0.525 94 M N 1.690 121.124 119.600 -0.277 0.000 2.250 94 M HA 0.466 4.947 4.480 0.001 0.000 0.325 94 M C 0.058 176.044 176.300 -0.523 0.000 1.084 94 M CA 0.996 56.073 55.300 -0.372 0.000 1.161 94 M CB 0.479 32.830 32.600 -0.416 0.000 1.481 94 M HN 0.175 nan 8.290 nan 0.000 0.449 95 T N 4.249 118.487 114.554 -0.527 0.000 2.900 95 T HA 0.641 4.992 4.350 0.001 0.000 0.295 95 T C -1.243 173.160 174.700 -0.495 0.000 1.044 95 T CA -0.434 61.368 62.100 -0.496 0.000 0.995 95 T CB 1.068 69.768 68.868 -0.280 0.000 1.072 95 T HN 0.538 nan 8.240 nan 0.000 0.473 96 F N 0.767 120.540 119.950 -0.295 0.000 2.611 96 F HA 0.534 5.062 4.527 0.001 0.000 0.324 96 F C 0.245 175.890 175.800 -0.258 0.000 1.061 96 F CA -1.246 56.502 58.000 -0.421 0.000 0.954 96 F CB 2.167 40.575 39.000 -0.988 0.000 1.301 96 F HN 0.214 nan 8.300 nan 0.000 0.482 97 Q N 1.758 121.597 119.800 0.065 0.000 2.347 97 Q HA 0.155 4.496 4.340 0.001 0.000 0.265 97 Q C -1.662 174.470 176.000 0.221 0.000 1.024 97 Q CA -0.686 55.157 55.803 0.066 0.000 0.731 97 Q CB 2.438 31.026 28.738 -0.249 0.000 1.245 97 Q HN 0.433 nan 8.270 nan 0.000 0.472 98 D N 1.889 122.472 120.400 0.304 0.000 2.280 98 D HA 0.114 4.755 4.640 0.001 0.000 0.243 98 D C 0.395 176.878 176.300 0.304 0.000 1.129 98 D CA 0.085 54.292 54.000 0.346 0.000 0.848 98 D CB 1.349 42.327 40.800 0.296 0.000 1.107 98 D HN 0.645 nan 8.370 nan 0.000 0.471 99 T N 0.999 115.703 114.554 0.250 0.000 2.958 99 T HA -0.014 4.337 4.350 0.001 0.000 0.256 99 T C 1.805 176.564 174.700 0.098 0.000 0.983 99 T CA -0.277 61.974 62.100 0.252 0.000 0.924 99 T CB 0.123 69.094 68.868 0.172 0.000 1.136 99 T HN 0.245 nan 8.240 nan 0.000 0.506 100 L N 3.084 124.319 121.223 0.021 0.000 2.093 100 L HA -0.040 4.301 4.340 0.001 0.000 0.208 100 L C 2.544 179.207 176.870 -0.345 0.000 1.085 100 L CA 1.831 56.612 54.840 -0.099 0.000 0.755 100 L CB -0.815 41.214 42.059 -0.050 0.000 0.904 100 L HN 0.561 nan 8.230 nan 0.000 0.435 101 H N -2.198 116.426 119.070 -0.742 0.000 2.561 101 H HA -0.207 4.349 4.556 0.001 0.000 0.289 101 H C 1.210 176.153 175.328 -0.641 0.000 1.054 101 H CA 1.886 57.214 56.048 -1.200 0.000 1.210 101 H CB -0.945 28.240 29.762 -0.962 0.000 1.353 101 H HN 0.616 nan 8.280 nan 0.000 0.601 102 H N 0.307 118.956 119.070 -0.703 0.000 2.563 102 H HA 0.167 4.724 4.556 0.001 0.000 0.264 102 H C 1.476 176.639 175.328 -0.275 0.000 0.957 102 H CA 0.230 55.973 56.048 -0.509 0.000 1.173 102 H CB 0.588 30.105 29.762 -0.409 0.000 1.420 102 H HN 0.318 nan 8.280 nan 0.000 0.551 103 K N 0.334 120.654 120.400 -0.134 0.000 2.374 103 K HA 0.264 4.585 4.320 0.001 0.000 0.196 103 K C 0.536 177.101 176.600 -0.058 0.000 1.023 103 K CA -0.123 56.124 56.287 -0.067 0.000 1.103 103 K CB 1.017 33.492 32.500 -0.041 0.000 0.848 103 K HN 0.096 nan 8.250 nan 0.000 0.528 104 A N 1.877 124.632 122.820 -0.109 0.000 2.406 104 A HA 0.126 4.446 4.320 0.001 0.000 0.243 104 A C -0.194 177.374 177.584 -0.027 0.000 1.082 104 A CA -0.045 51.971 52.037 -0.036 0.000 0.786 104 A CB 0.274 19.261 19.000 -0.022 0.000 1.029 104 A HN 0.111 nan 8.150 nan 0.000 0.495 105 K N 0.509 120.895 120.400 -0.022 0.000 2.276 105 K HA 0.309 4.630 4.320 0.001 0.000 0.283 105 K C 0.575 177.165 176.600 -0.017 0.000 1.044 105 K CA 0.313 56.587 56.287 -0.022 0.000 0.944 105 K CB 1.038 33.518 32.500 -0.032 0.000 1.012 105 K HN 0.744 nan 8.250 nan 0.000 0.472 106 G N 3.807 112.602 108.800 -0.007 0.000 3.101 106 G HA2 0.205 4.166 3.960 0.001 0.000 0.272 106 G HA3 0.205 4.166 3.960 0.001 0.000 0.272 106 G C 0.657 175.559 174.900 0.004 0.000 0.801 106 G CA -0.204 44.896 45.100 0.001 0.000 1.978 106 G HN 0.744 nan 8.290 nan 0.000 0.591 107 I N -1.461 119.109 120.570 0.001 0.000 4.240 107 I HA 0.414 4.585 4.170 0.001 0.000 0.331 107 I C 0.383 176.510 176.117 0.017 0.000 1.381 107 I CA -0.459 60.847 61.300 0.009 0.000 1.136 107 I CB 0.112 38.120 38.000 0.012 0.000 1.137 107 I HN 0.000 nan 8.210 nan 0.000 0.411 108 L N 1.913 123.146 121.223 0.017 0.000 2.472 108 L HA 0.203 4.544 4.340 0.001 0.000 0.260 108 L C 1.696 178.585 176.870 0.032 0.000 1.209 108 L CA 0.261 55.117 54.840 0.028 0.000 0.817 108 L CB 0.948 43.028 42.059 0.035 0.000 1.106 108 L HN 0.308 nan 8.230 nan 0.000 0.479 109 T N -3.797 110.779 114.554 0.037 0.000 3.060 109 T HA 0.090 4.441 4.350 0.001 0.000 0.249 109 T C 0.631 175.351 174.700 0.033 0.000 1.079 109 T CA -0.376 61.745 62.100 0.034 0.000 1.013 109 T CB -0.295 68.596 68.868 0.038 0.000 0.975 109 T HN 0.449 nan 8.240 nan 0.000 0.518 110 C N 3.239 122.561 119.300 0.037 0.000 2.642 110 C HA 0.576 5.037 4.460 0.001 0.000 0.420 110 C C 0.819 175.827 174.990 0.030 0.000 1.349 110 C CA -0.551 58.487 59.018 0.034 0.000 1.821 110 C CB -0.566 27.198 27.740 0.039 0.000 2.637 110 C HN 0.482 nan 8.230 nan 0.000 0.605 111 R N 1.224 121.739 120.500 0.025 0.000 2.885 111 R HA 0.344 4.685 4.340 0.001 0.000 0.260 111 R C 1.199 177.511 176.300 0.020 0.000 1.107 111 R CA -0.353 55.761 56.100 0.022 0.000 0.978 111 R CB 0.552 30.864 30.300 0.019 0.000 1.227 111 R HN 0.730 nan 8.270 nan 0.000 0.473 112 S N 0.120 115.831 115.700 0.017 0.000 2.419 112 S HA -0.100 4.371 4.470 0.001 0.000 0.233 112 S C 1.170 175.777 174.600 0.012 0.000 1.016 112 S CA 1.029 59.238 58.200 0.015 0.000 0.974 112 S CB -0.025 63.183 63.200 0.014 0.000 0.786 112 S HN 0.444 nan 8.310 nan 0.000 0.492 113 K N 1.304 121.711 120.400 0.012 0.000 2.186 113 K HA 0.111 4.432 4.320 0.001 0.000 0.202 113 K C 0.643 177.249 176.600 0.010 0.000 1.052 113 K CA 0.970 57.264 56.287 0.010 0.000 0.965 113 K CB 0.023 32.529 32.500 0.010 0.000 0.746 113 K HN 0.607 nan 8.250 nan 0.000 0.457 114 S N -0.787 114.920 115.700 0.013 0.000 2.550 114 S HA 0.295 4.766 4.470 0.001 0.000 0.270 114 S C -1.067 173.544 174.600 0.018 0.000 1.145 114 S CA -1.268 56.940 58.200 0.014 0.000 0.852 114 S CB 1.666 64.875 63.200 0.015 0.000 1.119 114 S HN 0.214 nan 8.310 nan 0.000 0.465 115 C N 3.156 122.466 119.300 0.018 0.000 2.322 115 C HA 0.783 5.244 4.460 0.001 0.000 0.324 115 C C -0.039 174.970 174.990 0.031 0.000 1.284 115 C CA -0.657 58.375 59.018 0.024 0.000 1.606 115 C CB -0.711 27.038 27.740 0.016 0.000 2.251 115 C HN 0.872 nan 8.230 nan 0.000 0.502 116 L N 5.771 127.018 121.223 0.041 0.000 3.017 116 L HA 0.358 4.699 4.340 0.001 0.000 0.255 116 L C 2.034 178.946 176.870 0.070 0.000 1.247 116 L CA 0.667 55.538 54.840 0.052 0.000 1.038 116 L CB 0.093 42.182 42.059 0.050 0.000 1.380 116 L HN 1.030 nan 8.230 nan 0.000 0.548 117 G N -0.490 108.353 108.800 0.071 0.000 2.498 117 G HA2 -0.236 3.724 3.960 0.001 0.000 0.219 117 G HA3 -0.236 3.724 3.960 0.001 0.000 0.219 117 G C 1.461 176.443 174.900 0.135 0.000 1.119 117 G CA 1.085 46.243 45.100 0.096 0.000 0.766 117 G HN 0.511 nan 8.290 nan 0.000 0.552 118 S N -0.213 115.560 115.700 0.122 0.000 2.605 118 S HA 0.322 4.793 4.470 0.001 0.000 0.217 118 S C 0.692 175.383 174.600 0.151 0.000 0.958 118 S CA -0.581 57.709 58.200 0.149 0.000 0.919 118 S CB 0.040 63.307 63.200 0.112 0.000 0.780 118 S HN 0.015 nan 8.310 nan 0.000 0.507 119 I N 2.745 123.397 120.570 0.135 0.000 2.452 119 I HA 0.150 4.321 4.170 0.001 0.000 0.287 119 I C 1.476 177.700 176.117 0.177 0.000 1.079 119 I CA 0.003 61.379 61.300 0.126 0.000 1.387 119 I CB 0.303 38.361 38.000 0.097 0.000 1.404 119 I HN 0.381 nan 8.210 nan 0.000 0.522 120 M N 4.566 124.281 119.600 0.191 0.000 2.126 120 M HA -0.185 4.295 4.480 0.001 0.000 0.259 120 M C 1.088 177.526 176.300 0.231 0.000 1.073 120 M CA 1.912 57.380 55.300 0.280 0.000 1.103 120 M CB 0.070 32.804 32.600 0.223 0.000 1.284 120 M HN 0.642 nan 8.290 nan 0.000 0.420 121 T N 2.728 117.335 114.554 0.088 0.000 3.331 121 T HA 0.406 4.757 4.350 0.001 0.000 0.381 121 T C -2.439 172.281 174.700 0.034 0.000 1.656 121 T CA -1.903 60.169 62.100 -0.046 0.000 1.453 121 T CB 0.278 68.938 68.868 -0.346 0.000 1.066 121 T HN 0.268 nan 8.240 nan 0.000 0.655 122 P HA 0.313 nan 4.420 nan 0.000 0.275 122 P C 0.617 177.997 177.300 0.134 0.000 1.228 122 P CA -0.485 62.684 63.100 0.116 0.000 0.786 122 P CB 1.371 33.142 31.700 0.118 0.000 0.927 123 K N 0.766 121.221 120.400 0.092 0.000 2.209 123 K HA -0.104 4.217 4.320 0.001 0.000 0.204 123 K C 2.080 178.746 176.600 0.110 0.000 1.048 123 K CA 1.804 58.145 56.287 0.089 0.000 0.940 123 K CB -0.243 32.288 32.500 0.051 0.000 0.729 123 K HN 0.579 nan 8.250 nan 0.000 0.451 124 S N 1.014 116.775 115.700 0.102 0.000 2.399 124 S HA -0.113 4.358 4.470 0.001 0.000 0.231 124 S C 1.674 176.359 174.600 0.142 0.000 1.022 124 S CA 0.929 59.185 58.200 0.094 0.000 0.983 124 S CB -0.283 62.957 63.200 0.066 0.000 0.803 124 S HN 0.246 nan 8.310 nan 0.000 0.480 125 L N 1.319 122.654 121.223 0.187 0.000 2.667 125 L HA 0.278 4.619 4.340 0.001 0.000 0.232 125 L C 0.009 177.109 176.870 0.384 0.000 1.138 125 L CA -0.090 54.891 54.840 0.235 0.000 0.921 125 L CB -0.114 42.042 42.059 0.161 0.000 1.180 125 L HN 0.226 nan 8.230 nan 0.000 0.487 126 T N -0.398 114.363 114.554 0.345 0.000 2.925 126 T HA 0.450 4.801 4.350 0.001 0.000 0.285 126 T C -0.302 174.515 174.700 0.196 0.000 1.021 126 T CA -0.479 61.807 62.100 0.311 0.000 1.042 126 T CB 2.361 71.346 68.868 0.195 0.000 1.037 126 T HN -0.075 nan 8.240 nan 0.000 0.481 127 R N 1.348 121.921 120.500 0.121 0.000 2.363 127 R HA 0.532 4.872 4.340 0.001 0.000 0.297 127 R C 0.536 176.817 176.300 -0.031 0.000 1.208 127 R CA -0.351 55.715 56.100 -0.057 0.000 1.121 127 R CB 0.073 30.251 30.300 -0.203 0.000 1.124 127 R HN 0.858 nan 8.270 nan 0.000 0.561 128 G N 3.316 112.094 108.800 -0.037 0.000 2.647 128 G HA2 0.191 4.152 3.960 0.001 0.000 0.271 128 G HA3 0.191 4.152 3.960 0.001 0.000 0.271 128 G C -1.995 172.870 174.900 -0.057 0.000 1.300 128 G CA -0.693 44.380 45.100 -0.046 0.000 0.997 128 G HN 0.541 nan 8.290 nan 0.000 0.533 129 P HA 0.421 nan 4.420 nan 0.000 0.281 129 P C -0.828 176.442 177.300 -0.050 0.000 1.264 129 P CA -0.467 62.598 63.100 -0.059 0.000 0.824 129 P CB 1.627 33.285 31.700 -0.070 0.000 1.092 130 R N 0.366 120.840 120.500 -0.042 0.000 2.867 130 R HA 0.377 4.717 4.340 0.001 0.000 0.268 130 R C -0.302 175.983 176.300 -0.025 0.000 1.014 130 R CA -0.574 55.506 56.100 -0.034 0.000 0.946 130 R CB 1.131 31.411 30.300 -0.034 0.000 1.208 130 R HN 0.417 nan 8.270 nan 0.000 0.477 131 D N -0.800 119.588 120.400 -0.019 0.000 2.520 131 D HA 0.119 4.760 4.640 0.001 0.000 0.223 131 D C -0.240 176.060 176.300 -0.000 0.000 1.186 131 D CA -0.193 53.800 54.000 -0.012 0.000 0.821 131 D CB 0.547 41.336 40.800 -0.019 0.000 1.072 131 D HN 0.097 nan 8.370 nan 0.000 0.518 132 K N 0.532 120.929 120.400 -0.004 0.000 2.422 132 K HA 0.569 4.889 4.320 0.001 0.000 0.251 132 K C -2.849 173.747 176.600 -0.006 0.000 0.933 132 K CA -2.235 54.051 56.287 -0.002 0.000 0.798 132 K CB 1.855 34.352 32.500 -0.005 0.000 1.238 132 K HN -0.263 nan 8.250 nan 0.000 0.428 133 P HA 0.053 nan 4.420 nan 0.000 0.271 133 P C -0.901 176.391 177.300 -0.013 0.000 1.238 133 P CA -0.234 62.859 63.100 -0.011 0.000 0.794 133 P CB 0.344 32.039 31.700 -0.008 0.000 0.959 134 T N 2.125 116.669 114.554 -0.017 0.000 2.723 134 T HA 0.252 4.602 4.350 0.001 0.000 0.297 134 T C -2.236 172.465 174.700 0.002 0.000 0.925 134 T CA -1.163 60.929 62.100 -0.012 0.000 1.030 134 T CB -0.464 68.394 68.868 -0.017 0.000 0.905 134 T HN 0.264 nan 8.240 nan 0.000 0.502 135 P HA 0.016 nan 4.420 nan 0.000 0.257 135 P C -1.829 175.480 177.300 0.017 0.000 1.162 135 P CA -0.928 62.177 63.100 0.008 0.000 0.762 135 P CB 0.104 31.806 31.700 0.004 0.000 0.753 136 P HA -0.244 nan 4.420 nan 0.000 0.217 136 P C 0.641 177.955 177.300 0.023 0.000 1.151 136 P CA 1.552 64.669 63.100 0.029 0.000 0.849 136 P CB -0.027 31.688 31.700 0.024 0.000 0.787 137 D N -0.300 120.110 120.400 0.015 0.000 2.087 137 D HA -0.193 4.448 4.640 0.001 0.000 0.192 137 D C 1.843 178.152 176.300 0.014 0.000 0.993 137 D CA 1.274 55.281 54.000 0.012 0.000 0.828 137 D CB -0.786 40.018 40.800 0.008 0.000 0.968 137 D HN 0.318 nan 8.370 nan 0.000 0.448 138 E N 0.003 120.211 120.200 0.014 0.000 2.204 138 E HA -0.126 4.225 4.350 0.001 0.000 0.195 138 E C 2.126 178.743 176.600 0.028 0.000 0.990 138 E CA 0.245 56.655 56.400 0.016 0.000 0.821 138 E CB -0.045 29.660 29.700 0.009 0.000 0.750 138 E HN 0.289 nan 8.360 nan 0.000 0.477 139 L N 0.705 121.951 121.223 0.038 0.000 2.023 139 L HA -0.153 4.187 4.340 0.001 0.000 0.205 139 L C 2.394 179.300 176.870 0.060 0.000 1.073 139 L CA 0.720 55.600 54.840 0.068 0.000 0.745 139 L CB -0.185 41.929 42.059 0.092 0.000 0.900 139 L HN 0.224 nan 8.230 nan 0.000 0.435 140 L N -0.014 121.226 121.223 0.029 0.000 1.997 140 L HA -0.292 4.049 4.340 0.001 0.000 0.227 140 L C -0.303 176.570 176.870 0.004 0.000 1.087 140 L CA 2.331 57.169 54.840 -0.004 0.000 0.797 140 L CB -1.569 40.488 42.059 -0.004 0.000 0.902 140 L HN 0.233 nan 8.230 nan 0.000 0.441 141 P HA -0.208 nan 4.420 nan 0.000 0.216 141 P C 1.329 178.661 177.300 0.055 0.000 1.150 141 P CA 1.496 64.614 63.100 0.030 0.000 0.843 141 P CB -0.041 31.675 31.700 0.026 0.000 0.787 142 Q N -0.830 119.011 119.800 0.069 0.000 2.079 142 Q HA -0.091 4.250 4.340 0.001 0.000 0.200 142 Q C 2.270 178.366 176.000 0.159 0.000 0.974 142 Q CA 1.515 57.383 55.803 0.109 0.000 0.840 142 Q CB -0.763 28.038 28.738 0.106 0.000 0.898 142 Q HN 0.176 nan 8.270 nan 0.000 0.430 143 A N 1.554 124.441 122.820 0.111 0.000 1.851 143 A HA -0.197 4.124 4.320 0.001 0.000 0.216 143 A C 2.111 179.738 177.584 0.072 0.000 1.195 143 A CA 1.349 53.409 52.037 0.037 0.000 0.622 143 A CB -0.856 17.909 19.000 -0.392 0.000 0.831 143 A HN 0.298 nan 8.150 nan 0.000 0.444 144 I N -0.520 120.061 120.570 0.019 0.000 2.248 144 I HA -0.308 3.862 4.170 0.001 0.000 0.248 144 I C 2.590 178.770 176.117 0.106 0.000 1.107 144 I CA 1.957 63.290 61.300 0.054 0.000 1.373 144 I CB -0.401 37.618 38.000 0.032 0.000 1.055 144 I HN 0.569 nan 8.210 nan 0.000 0.418 145 E N 0.844 121.116 120.200 0.120 0.000 2.077 145 E HA -0.264 4.087 4.350 0.001 0.000 0.193 145 E C 2.177 178.875 176.600 0.163 0.000 0.989 145 E CA 1.296 57.773 56.400 0.127 0.000 0.800 145 E CB -0.110 29.663 29.700 0.122 0.000 0.746 145 E HN 0.408 nan 8.360 nan 0.000 0.452 146 F N 1.134 121.152 119.950 0.113 0.000 2.075 146 F HA -0.221 4.307 4.527 0.001 0.000 0.297 146 F C 2.040 177.933 175.800 0.156 0.000 1.113 146 F CA 1.472 59.564 58.000 0.154 0.000 1.218 146 F CB -0.732 38.379 39.000 0.186 0.000 0.984 146 F HN -0.129 nan 8.300 nan 0.000 0.472 147 V N 1.246 121.123 119.914 -0.061 0.000 2.250 147 V HA -0.433 3.688 4.120 0.001 0.000 0.250 147 V C 2.285 178.316 176.094 -0.107 0.000 1.060 147 V CA 2.393 64.643 62.300 -0.084 0.000 1.030 147 V CB -1.196 30.717 31.823 0.150 0.000 0.643 147 V HN 0.367 nan 8.190 nan 0.000 0.445 148 N N 0.033 118.733 118.700 0.000 0.000 2.037 148 N HA -0.262 4.478 4.740 0.001 0.000 0.196 148 N C 1.911 177.335 175.510 -0.143 0.000 1.034 148 N CA 2.113 55.164 53.050 0.002 0.000 0.861 148 N CB -0.545 38.011 38.487 0.114 0.000 1.039 148 N HN 0.749 nan 8.380 nan 0.000 0.427 149 Q N -0.636 119.083 119.800 -0.134 0.000 2.077 149 Q HA -0.250 4.091 4.340 0.001 0.000 0.206 149 Q C 2.096 177.861 176.000 -0.391 0.000 0.989 149 Q CA 1.538 57.257 55.803 -0.139 0.000 0.853 149 Q CB -0.422 28.331 28.738 0.026 0.000 0.907 149 Q HN 0.603 nan 8.270 nan 0.000 0.418 150 Y N -0.229 119.574 120.300 -0.829 0.000 2.049 150 Y HA -0.337 4.214 4.550 0.001 0.000 0.277 150 Y C 1.778 176.909 175.900 -1.281 0.000 1.143 150 Y CA 2.150 59.395 58.100 -1.426 0.000 1.115 150 Y CB -0.508 37.118 38.460 -1.390 0.000 0.975 150 Y HN 0.201 nan 8.280 nan 0.000 0.487 151 Y N 0.230 120.001 120.300 -0.881 0.000 2.256 151 Y HA -0.107 4.444 4.550 0.001 0.000 0.288 151 Y C 2.571 178.159 175.900 -0.520 0.000 1.155 151 Y CA 1.373 59.048 58.100 -0.708 0.000 1.203 151 Y CB -0.961 37.063 38.460 -0.727 0.000 0.980 151 Y HN 0.289 nan 8.280 nan 0.000 0.530 152 G N -1.533 107.056 108.800 -0.352 0.000 2.848 152 G HA2 -0.136 3.825 3.960 0.001 0.000 0.208 152 G HA3 -0.136 3.825 3.960 0.001 0.000 0.208 152 G C 1.675 176.408 174.900 -0.277 0.000 1.152 152 G CA 0.857 45.841 45.100 -0.193 0.000 0.789 152 G HN 0.469 nan 8.290 nan 0.000 0.531 153 S N -0.032 115.318 115.700 -0.584 0.000 2.446 153 S HA 0.221 4.691 4.470 0.001 0.000 0.225 153 S C 0.702 175.049 174.600 -0.421 0.000 1.016 153 S CA -0.473 57.414 58.200 -0.522 0.000 0.943 153 S CB -0.263 62.465 63.200 -0.787 0.000 0.786 153 S HN -0.001 nan 8.310 nan 0.000 0.508 154 F N 3.802 123.565 119.950 -0.312 0.000 2.563 154 F HA 0.282 4.810 4.527 0.002 0.000 0.363 154 F C 1.853 177.583 175.800 -0.117 0.000 1.123 154 F CA -0.953 56.917 58.000 -0.216 0.000 1.307 154 F CB 0.529 39.397 39.000 -0.220 0.000 1.115 154 F HN 0.119 nan 8.300 nan 0.000 0.592 155 K N 0.945 121.423 120.400 0.129 0.000 2.116 155 K HA -0.086 4.235 4.320 0.001 0.000 0.203 155 K C 0.326 176.956 176.600 0.051 0.000 1.052 155 K CA 0.953 57.276 56.287 0.060 0.000 0.952 155 K CB -0.265 32.260 32.500 0.042 0.000 0.729 155 K HN 0.471 nan 8.250 nan 0.000 0.446 156 E N 1.755 121.985 120.200 0.050 0.000 2.079 156 E HA 0.368 4.719 4.350 0.001 0.000 0.252 156 E C -1.171 175.428 176.600 -0.002 0.000 0.992 156 E CA -0.288 56.113 56.400 0.001 0.000 0.829 156 E CB 0.586 30.261 29.700 -0.041 0.000 1.158 156 E HN 0.345 nan 8.360 nan 0.000 0.435 157 A N 4.252 127.093 122.820 0.036 0.000 2.587 157 A HA -0.022 4.298 4.320 0.001 0.000 0.235 157 A C -0.069 177.518 177.584 0.005 0.000 1.044 157 A CA 0.520 52.594 52.037 0.061 0.000 0.754 157 A CB 0.168 19.202 19.000 0.057 0.000 0.968 157 A HN 0.583 nan 8.150 nan 0.000 0.509 158 K N 3.100 123.517 120.400 0.030 0.000 2.606 158 K HA 0.302 4.622 4.320 0.001 0.000 0.196 158 K C -0.050 176.542 176.600 -0.013 0.000 1.048 158 K CA -0.377 55.891 56.287 -0.031 0.000 1.017 158 K CB 0.569 33.012 32.500 -0.095 0.000 1.413 158 K HN 0.588 nan 8.250 nan 0.000 0.568 159 I N 1.119 121.680 120.570 -0.015 0.000 2.099 159 I HA -0.300 3.870 4.170 0.001 0.000 0.239 159 I C 2.219 178.282 176.117 -0.090 0.000 1.066 159 I CA 1.530 62.806 61.300 -0.040 0.000 1.324 159 I CB -0.129 37.843 38.000 -0.047 0.000 1.037 159 I HN 0.474 nan 8.210 nan 0.000 0.401 160 E N 0.715 120.868 120.200 -0.078 0.000 2.065 160 E HA -0.284 4.067 4.350 0.001 0.000 0.201 160 E C 2.199 178.737 176.600 -0.103 0.000 1.016 160 E CA 1.732 58.083 56.400 -0.081 0.000 0.818 160 E CB -0.427 29.238 29.700 -0.058 0.000 0.749 160 E HN 0.601 nan 8.360 nan 0.000 0.453 161 E N -0.302 119.832 120.200 -0.110 0.000 2.058 161 E HA -0.220 4.131 4.350 0.001 0.000 0.194 161 E C 2.167 178.563 176.600 -0.340 0.000 0.997 161 E CA 1.083 57.401 56.400 -0.137 0.000 0.801 161 E CB -0.329 29.337 29.700 -0.057 0.000 0.746 161 E HN 0.477 nan 8.360 nan 0.000 0.450 162 H N 0.316 118.947 119.070 -0.732 0.000 2.289 162 H HA -0.167 4.389 4.556 0.001 0.000 0.296 162 H C 2.189 177.247 175.328 -0.451 0.000 1.091 162 H CA 0.977 56.398 56.048 -1.045 0.000 1.274 162 H CB 0.174 29.552 29.762 -0.640 0.000 1.364 162 H HN 0.051 nan 8.280 nan 0.000 0.490 163 L N 0.860 121.957 121.223 -0.211 0.000 1.970 163 L HA -0.189 4.151 4.340 0.001 0.000 0.212 163 L C 3.050 179.865 176.870 -0.093 0.000 1.071 163 L CA 1.747 56.480 54.840 -0.179 0.000 0.751 163 L CB -1.836 40.129 42.059 -0.157 0.000 0.889 163 L HN 0.488 nan 8.230 nan 0.000 0.432 164 A N -0.286 122.486 122.820 -0.080 0.000 1.927 164 A HA -0.302 4.019 4.320 0.001 0.000 0.220 164 A C 2.409 179.992 177.584 -0.002 0.000 1.185 164 A CA 2.205 54.221 52.037 -0.035 0.000 0.639 164 A CB -0.557 18.427 19.000 -0.025 0.000 0.820 164 A HN 0.340 nan 8.150 nan 0.000 0.451 165 R N -0.226 120.277 120.500 0.005 0.000 2.091 165 R HA -0.081 4.260 4.340 0.001 0.000 0.238 165 R C 1.886 178.237 176.300 0.086 0.000 1.136 165 R CA 2.035 58.192 56.100 0.095 0.000 0.959 165 R CB -1.176 29.252 30.300 0.213 0.000 0.856 165 R HN 0.287 nan 8.270 nan 0.000 0.437 166 V N 1.126 121.080 119.914 0.067 0.000 2.295 166 V HA -0.192 3.928 4.120 0.001 0.000 0.246 166 V C 2.224 178.321 176.094 0.004 0.000 1.049 166 V CA 2.058 64.384 62.300 0.043 0.000 1.024 166 V CB -0.469 31.373 31.823 0.032 0.000 0.648 166 V HN 0.346 nan 8.190 nan 0.000 0.447 167 E N 0.148 120.345 120.200 -0.005 0.000 2.110 167 E HA -0.184 4.167 4.350 0.001 0.000 0.193 167 E C 2.315 178.917 176.600 0.002 0.000 0.988 167 E CA 1.448 57.843 56.400 -0.009 0.000 0.804 167 E CB -0.426 29.265 29.700 -0.015 0.000 0.745 167 E HN 0.581 nan 8.360 nan 0.000 0.458 168 A N 1.023 123.853 122.820 0.016 0.000 1.845 168 A HA -0.148 4.173 4.320 0.001 0.000 0.215 168 A C 2.617 180.218 177.584 0.028 0.000 1.195 168 A CA 1.684 53.739 52.037 0.031 0.000 0.616 168 A CB -0.818 18.214 19.000 0.053 0.000 0.832 168 A HN 0.136 nan 8.150 nan 0.000 0.443 169 V N 0.097 120.019 119.914 0.014 0.000 2.407 169 V HA -0.237 3.883 4.120 0.001 0.000 0.248 169 V C 2.705 178.758 176.094 -0.067 0.000 1.055 169 V CA 2.430 64.703 62.300 -0.046 0.000 1.049 169 V CB -1.497 30.222 31.823 -0.172 0.000 0.662 169 V HN 0.626 nan 8.190 nan 0.000 0.455 170 T N -0.032 114.493 114.554 -0.048 0.000 2.674 170 T HA -0.226 4.125 4.350 0.001 0.000 0.265 170 T C 1.931 176.624 174.700 -0.011 0.000 1.039 170 T CA 1.719 63.797 62.100 -0.037 0.000 1.150 170 T CB -0.248 68.605 68.868 -0.025 0.000 0.864 170 T HN 0.495 nan 8.240 nan 0.000 0.427 171 K N 0.852 121.252 120.400 0.000 0.000 2.057 171 K HA -0.098 4.223 4.320 0.001 0.000 0.207 171 K C 2.445 179.059 176.600 0.023 0.000 1.049 171 K CA 1.206 57.500 56.287 0.011 0.000 0.931 171 K CB -0.159 32.349 32.500 0.012 0.000 0.714 171 K HN 0.424 nan 8.250 nan 0.000 0.440 172 E N 1.043 121.264 120.200 0.035 0.000 2.118 172 E HA -0.192 4.159 4.350 0.001 0.000 0.195 172 E C 1.917 178.557 176.600 0.068 0.000 0.992 172 E CA 1.001 57.437 56.400 0.060 0.000 0.804 172 E CB 0.052 29.809 29.700 0.096 0.000 0.741 172 E HN 0.272 nan 8.360 nan 0.000 0.458 173 I N 0.644 121.247 120.570 0.055 0.000 2.286 173 I HA -0.200 3.971 4.170 0.001 0.000 0.245 173 I C 2.118 178.258 176.117 0.039 0.000 1.104 173 I CA 1.000 62.337 61.300 0.061 0.000 1.397 173 I CB -0.321 37.699 38.000 0.034 0.000 1.072 173 I HN 0.125 nan 8.210 nan 0.000 0.417 174 E N 0.432 120.646 120.200 0.023 0.000 2.153 174 E HA -0.203 4.147 4.350 0.001 0.000 0.194 174 E C 2.027 178.638 176.600 0.019 0.000 0.988 174 E CA 1.969 58.379 56.400 0.017 0.000 0.811 174 E CB -0.058 29.648 29.700 0.010 0.000 0.746 174 E HN 0.611 nan 8.360 nan 0.000 0.466 175 T N -2.617 111.951 114.554 0.024 0.000 3.023 175 T HA -0.008 4.343 4.350 0.001 0.000 0.249 175 T C 1.884 176.598 174.700 0.024 0.000 1.050 175 T CA 0.949 63.062 62.100 0.022 0.000 1.088 175 T CB 0.201 69.082 68.868 0.022 0.000 0.946 175 T HN 0.136 nan 8.240 nan 0.000 0.480 176 T N -2.269 112.305 114.554 0.033 0.000 3.091 176 T HA 0.502 4.852 4.350 0.001 0.000 0.277 176 T C 1.622 176.342 174.700 0.032 0.000 0.996 176 T CA 0.418 62.536 62.100 0.031 0.000 0.897 176 T CB -0.126 68.763 68.868 0.035 0.000 1.109 176 T HN 0.884 nan 8.240 nan 0.000 0.534 177 G N 0.664 109.487 108.800 0.038 0.000 2.249 177 G HA2 -0.098 3.863 3.960 0.001 0.000 0.273 177 G HA3 -0.098 3.863 3.960 0.001 0.000 0.273 177 G C 0.146 175.080 174.900 0.056 0.000 1.036 177 G CA 0.750 45.874 45.100 0.039 0.000 0.824 177 G HN 1.377 nan 8.290 nan 0.000 0.504 178 T N -1.938 112.673 114.554 0.095 0.000 2.672 178 T HA 0.537 4.888 4.350 0.001 0.000 0.302 178 T C -1.288 173.549 174.700 0.228 0.000 1.863 178 T CA 0.304 62.488 62.100 0.140 0.000 0.979 178 T CB 0.593 69.477 68.868 0.027 0.000 1.905 178 T HN 1.739 nan 8.240 nan 0.000 0.507 179 Y N 0.121 120.427 120.300 0.011 0.000 2.638 179 Y HA 0.876 5.426 4.550 0.001 0.000 0.339 179 Y C -1.075 174.844 175.900 0.032 0.000 1.084 179 Y CA -1.211 56.907 58.100 0.029 0.000 1.068 179 Y CB 1.105 39.596 38.460 0.052 0.000 1.294 179 Y HN 0.487 nan 8.280 nan 0.000 0.480 180 Q N 2.306 122.157 119.800 0.085 0.000 2.331 180 Q HA 0.473 4.814 4.340 0.001 0.000 0.267 180 Q C -0.875 175.173 176.000 0.081 0.000 1.006 180 Q CA -0.687 55.113 55.803 -0.005 0.000 0.818 180 Q CB 2.835 31.595 28.738 0.036 0.000 1.276 180 Q HN 0.828 nan 8.270 nan 0.000 0.450 181 L N 1.484 122.718 121.223 0.018 0.000 2.452 181 L HA 0.275 4.616 4.340 0.001 0.000 0.267 181 L C 1.188 178.091 176.870 0.054 0.000 1.188 181 L CA -0.328 54.564 54.840 0.086 0.000 0.821 181 L CB 0.233 42.303 42.059 0.019 0.000 1.102 181 L HN 0.637 nan 8.230 nan 0.000 0.470 182 T N -1.492 113.086 114.554 0.039 0.000 2.849 182 T HA 0.245 4.596 4.350 0.001 0.000 0.284 182 T C 1.289 175.980 174.700 -0.014 0.000 1.004 182 T CA -0.244 61.865 62.100 0.014 0.000 1.021 182 T CB 1.490 70.362 68.868 0.007 0.000 1.013 182 T HN 0.697 nan 8.240 nan 0.000 0.527 183 G N 0.726 109.523 108.800 -0.005 0.000 2.476 183 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 183 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 183 G C 1.164 176.061 174.900 -0.005 0.000 1.164 183 G CA 0.751 45.842 45.100 -0.015 0.000 0.768 183 G HN 0.815 nan 8.290 nan 0.000 0.560 184 D N 0.295 120.708 120.400 0.021 0.000 2.219 184 D HA -0.036 4.605 4.640 0.001 0.000 0.205 184 D C 2.334 178.662 176.300 0.046 0.000 0.970 184 D CA 0.722 54.768 54.000 0.077 0.000 0.851 184 D CB -0.102 40.795 40.800 0.161 0.000 0.943 184 D HN 0.461 nan 8.370 nan 0.000 0.488 185 E N -0.070 120.043 120.200 -0.145 0.000 2.106 185 E HA -0.115 4.236 4.350 0.001 0.000 0.192 185 E C 2.000 178.656 176.600 0.093 0.000 0.984 185 E CA 0.182 56.426 56.400 -0.261 0.000 0.806 185 E CB 0.048 29.581 29.700 -0.279 0.000 0.750 185 E HN 0.068 nan 8.360 nan 0.000 0.458 186 L N 0.814 122.038 121.223 0.002 0.000 2.093 186 L HA -0.117 4.223 4.340 0.001 0.000 0.208 186 L C 1.934 178.787 176.870 -0.029 0.000 1.085 186 L CA 1.365 56.162 54.840 -0.072 0.000 0.755 186 L CB -0.115 41.854 42.059 -0.150 0.000 0.904 186 L HN 0.140 nan 8.230 nan 0.000 0.435 187 I N -1.323 119.264 120.570 0.027 0.000 2.286 187 I HA -0.323 3.847 4.170 0.001 0.000 0.248 187 I C 2.297 178.495 176.117 0.135 0.000 1.115 187 I CA 1.546 62.876 61.300 0.050 0.000 1.392 187 I CB -0.384 37.654 38.000 0.062 0.000 1.065 187 I HN 0.330 nan 8.210 nan 0.000 0.418 188 F N 1.710 121.713 119.950 0.088 0.000 2.163 188 F HA -0.111 4.417 4.527 0.001 0.000 0.297 188 F C 2.420 178.311 175.800 0.152 0.000 1.094 188 F CA 1.228 59.318 58.000 0.151 0.000 1.290 188 F CB -0.361 38.780 39.000 0.236 0.000 1.017 188 F HN -0.028 nan 8.300 nan 0.000 0.483 189 A N 0.128 122.956 122.820 0.014 0.000 1.902 189 A HA -0.180 4.141 4.320 0.001 0.000 0.217 189 A C 2.264 179.700 177.584 -0.246 0.000 1.181 189 A CA 2.452 54.394 52.037 -0.158 0.000 0.623 189 A CB -1.652 17.243 19.000 -0.176 0.000 0.818 189 A HN 0.538 nan 8.150 nan 0.000 0.443 190 T N -1.833 112.632 114.554 -0.149 0.000 2.821 190 T HA -0.094 4.257 4.350 0.001 0.000 0.267 190 T C 1.768 176.502 174.700 0.056 0.000 1.046 190 T CA 1.485 63.549 62.100 -0.060 0.000 1.139 190 T CB -0.275 68.586 68.868 -0.012 0.000 0.871 190 T HN 0.515 nan 8.240 nan 0.000 0.454 191 K N 0.425 120.859 120.400 0.058 0.000 2.103 191 K HA 0.033 4.354 4.320 0.001 0.000 0.204 191 K C 2.776 179.408 176.600 0.053 0.000 1.052 191 K CA 0.769 57.186 56.287 0.216 0.000 0.945 191 K CB -0.088 32.578 32.500 0.277 0.000 0.722 191 K HN 0.302 nan 8.250 nan 0.000 0.443 192 Q N 0.465 120.113 119.800 -0.254 0.000 2.049 192 Q HA -0.035 4.306 4.340 0.001 0.000 0.198 192 Q C 2.229 178.059 176.000 -0.283 0.000 0.971 192 Q CA 1.353 56.912 55.803 -0.408 0.000 0.833 192 Q CB -0.256 28.102 28.738 -0.634 0.000 0.896 192 Q HN 0.282 nan 8.270 nan 0.000 0.434 193 A N 0.313 122.946 122.820 -0.312 0.000 1.986 193 A HA -0.197 4.124 4.320 0.001 0.000 0.220 193 A C 1.756 179.215 177.584 -0.209 0.000 1.171 193 A CA 1.465 53.210 52.037 -0.486 0.000 0.640 193 A CB -0.813 17.509 19.000 -1.131 0.000 0.811 193 A HN 0.550 nan 8.150 nan 0.000 0.451 194 W N 0.705 121.912 121.300 -0.155 0.000 2.452 194 W HA -0.061 4.599 4.660 0.001 0.000 0.313 194 W C 2.251 178.652 176.519 -0.197 0.000 1.176 194 W CA 1.331 58.620 57.345 -0.094 0.000 1.350 194 W CB -0.876 28.541 29.460 -0.073 0.000 1.148 194 W HN 0.343 nan 8.180 nan 0.000 0.498 195 R N 0.639 121.026 120.500 -0.190 0.000 2.211 195 R HA -0.196 4.145 4.340 0.001 0.000 0.240 195 R C 0.704 176.848 176.300 -0.260 0.000 1.144 195 R CA 1.770 57.568 56.100 -0.503 0.000 0.992 195 R CB -0.490 29.220 30.300 -0.984 0.000 0.869 195 R HN 0.089 nan 8.270 nan 0.000 0.462 196 N N -0.196 118.401 118.700 -0.172 0.000 2.251 196 N HA 0.111 4.852 4.740 0.001 0.000 0.217 196 N C -0.972 174.487 175.510 -0.084 0.000 1.124 196 N CA 0.324 53.317 53.050 -0.095 0.000 0.843 196 N CB 1.428 39.894 38.487 -0.035 0.000 1.024 196 N HN 0.150 nan 8.380 nan 0.000 0.501 197 A N 1.486 124.240 122.820 -0.111 0.000 2.527 197 A HA 0.370 4.691 4.320 0.001 0.000 0.313 197 A C -1.378 176.145 177.584 -0.102 0.000 1.410 197 A CA -1.119 50.803 52.037 -0.191 0.000 1.060 197 A CB 0.485 19.410 19.000 -0.125 0.000 1.137 197 A HN -0.024 nan 8.150 nan 0.000 0.542 198 P HA -0.131 nan 4.420 nan 0.000 0.221 198 P C 1.013 178.266 177.300 -0.078 0.000 1.145 198 P CA 1.140 64.203 63.100 -0.063 0.000 0.795 198 P CB 0.162 31.820 31.700 -0.070 0.000 0.775 199 R N -2.229 118.177 120.500 -0.158 0.000 2.334 199 R HA 0.171 4.512 4.340 0.001 0.000 0.216 199 R C 0.244 176.529 176.300 -0.024 0.000 0.905 199 R CA -0.154 55.874 56.100 -0.120 0.000 1.064 199 R CB -0.318 29.726 30.300 -0.427 0.000 1.046 199 R HN 0.168 nan 8.270 nan 0.000 0.508 200 C N 0.988 120.252 119.300 -0.059 0.000 2.285 200 C HA 0.307 4.768 4.460 0.001 0.000 0.335 200 C C 1.786 176.721 174.990 -0.093 0.000 1.267 200 C CA -0.776 58.227 59.018 -0.026 0.000 1.762 200 C CB -0.522 27.243 27.740 0.042 0.000 2.365 200 C HN 0.556 nan 8.230 nan 0.000 0.527 201 I N 4.196 124.687 120.570 -0.132 0.000 3.251 201 I HA 0.180 4.351 4.170 0.001 0.000 0.277 201 I C 1.716 177.843 176.117 0.016 0.000 1.268 201 I CA 0.945 62.095 61.300 -0.249 0.000 1.449 201 I CB 0.094 37.961 38.000 -0.221 0.000 1.083 201 I HN 0.888 nan 8.210 nan 0.000 0.464 202 G N 0.354 109.183 108.800 0.048 0.000 3.814 202 G HA2 0.124 4.084 3.960 0.001 0.000 0.293 202 G HA3 0.124 4.084 3.960 0.001 0.000 0.293 202 G C 1.034 175.982 174.900 0.080 0.000 1.243 202 G CA -0.414 44.736 45.100 0.084 0.000 1.053 202 G HN 0.235 nan 8.290 nan 0.000 0.562 203 R N -0.296 120.132 120.500 -0.119 0.000 2.280 203 R HA 0.027 4.367 4.340 0.001 0.000 0.207 203 R C 2.191 178.035 176.300 -0.759 0.000 1.043 203 R CA 0.086 55.811 56.100 -0.625 0.000 1.006 203 R CB -0.103 29.620 30.300 -0.961 0.000 0.885 203 R HN 0.468 nan 8.270 nan 0.000 0.467 204 I N 1.488 121.818 120.570 -0.400 0.000 2.236 204 I HA -0.321 3.850 4.170 0.001 0.000 0.249 204 I C 1.404 177.427 176.117 -0.156 0.000 1.102 204 I CA 1.813 63.057 61.300 -0.093 0.000 1.365 204 I CB 0.029 38.074 38.000 0.075 0.000 1.051 204 I HN 0.128 nan 8.210 nan 0.000 0.420 205 Q N 0.321 119.979 119.800 -0.237 0.000 2.322 205 Q HA -0.064 4.277 4.340 0.001 0.000 0.203 205 Q C 1.555 177.103 176.000 -0.753 0.000 0.923 205 Q CA 0.396 56.038 55.803 -0.268 0.000 0.949 205 Q CB -0.499 28.274 28.738 0.058 0.000 1.039 205 Q HN 0.870 nan 8.270 nan 0.000 0.496 206 W N -0.112 120.388 121.300 -1.332 0.000 2.504 206 W HA -0.081 4.581 4.660 0.002 0.000 0.257 206 W C 0.433 176.600 176.519 -0.586 0.000 1.225 206 W CA 0.482 56.842 57.345 -1.641 0.000 1.205 206 W CB -0.757 27.954 29.460 -1.248 0.000 1.137 206 W HN -0.026 nan 8.180 nan 0.000 0.612 207 S N 0.935 116.043 115.700 -0.987 0.000 2.478 207 S HA -0.031 4.440 4.470 0.001 0.000 0.222 207 S C 0.447 174.867 174.600 -0.301 0.000 1.008 207 S CA 0.128 57.835 58.200 -0.822 0.000 0.928 207 S CB -0.237 62.393 63.200 -0.949 0.000 0.781 207 S HN 0.199 nan 8.310 nan 0.000 0.518 208 N N 1.889 120.502 118.700 -0.144 0.000 2.527 208 N HA 0.469 5.210 4.740 0.001 0.000 0.236 208 N C -1.287 174.319 175.510 0.159 0.000 0.999 208 N CA -0.160 52.902 53.050 0.020 0.000 0.935 208 N CB 1.809 40.336 38.487 0.067 0.000 1.132 208 N HN 0.112 nan 8.380 nan 0.000 0.511 209 L N 1.720 123.008 121.223 0.108 0.000 2.505 209 L HA 0.259 4.600 4.340 0.001 0.000 0.266 209 L C -0.941 175.903 176.870 -0.043 0.000 0.954 209 L CA -0.543 54.359 54.840 0.104 0.000 0.852 209 L CB 2.243 44.418 42.059 0.193 0.000 1.282 209 L HN 0.326 nan 8.230 nan 0.000 0.403 210 Q N 3.093 122.811 119.800 -0.137 0.000 2.274 210 Q HA 0.628 4.969 4.340 0.001 0.000 0.256 210 Q C -1.674 173.983 176.000 -0.573 0.000 0.927 210 Q CA -0.199 55.347 55.803 -0.429 0.000 0.939 210 Q CB 1.482 29.827 28.738 -0.655 0.000 1.201 210 Q HN 0.497 nan 8.270 nan 0.000 0.426 211 V N 5.761 125.326 119.914 -0.581 0.000 2.417 211 V HA 0.471 4.592 4.120 0.001 0.000 0.291 211 V C -0.808 174.918 176.094 -0.614 0.000 1.024 211 V CA -0.614 61.407 62.300 -0.465 0.000 0.861 211 V CB 0.779 32.455 31.823 -0.244 0.000 0.985 211 V HN 0.660 nan 8.190 nan 0.000 0.436 212 F N 2.589 122.404 119.950 -0.224 0.000 2.404 212 F HA 0.420 4.948 4.527 0.001 0.000 0.354 212 F C 0.390 176.027 175.800 -0.272 0.000 1.122 212 F CA -0.889 56.966 58.000 -0.241 0.000 1.080 212 F CB 1.263 40.116 39.000 -0.244 0.000 1.131 212 F HN 0.426 nan 8.300 nan 0.000 0.471 213 D N 3.066 123.417 120.400 -0.080 0.000 2.380 213 D HA 0.426 5.067 4.640 0.001 0.000 0.230 213 D C -0.076 176.081 176.300 -0.239 0.000 1.154 213 D CA -0.010 53.895 54.000 -0.157 0.000 0.859 213 D CB 1.363 42.098 40.800 -0.107 0.000 1.045 213 D HN 0.629 nan 8.370 nan 0.000 0.495 214 A N 4.593 127.165 122.820 -0.413 0.000 2.637 214 A HA 0.167 4.488 4.320 0.001 0.000 0.293 214 A C 1.531 178.917 177.584 -0.330 0.000 1.216 214 A CA -0.399 51.276 52.037 -0.604 0.000 0.956 214 A CB 0.039 18.271 19.000 -1.281 0.000 1.174 214 A HN 0.549 nan 8.150 nan 0.000 0.525 215 R N 0.374 120.760 120.500 -0.190 0.000 2.285 215 R HA -0.071 4.270 4.340 0.001 0.000 0.213 215 R C 1.535 177.769 176.300 -0.109 0.000 1.068 215 R CA 1.370 57.410 56.100 -0.099 0.000 1.004 215 R CB -0.027 30.262 30.300 -0.017 0.000 0.873 215 R HN 0.605 nan 8.270 nan 0.000 0.467 216 S N -0.950 114.696 115.700 -0.091 0.000 2.535 216 S HA 0.027 4.497 4.470 0.001 0.000 0.214 216 S C 1.002 175.586 174.600 -0.026 0.000 0.980 216 S CA -0.641 57.532 58.200 -0.045 0.000 0.907 216 S CB -0.166 63.029 63.200 -0.007 0.000 0.790 216 S HN 0.295 nan 8.310 nan 0.000 0.510 217 C N 3.300 122.572 119.300 -0.046 0.000 2.702 217 C HA 0.462 4.922 4.460 0.001 0.000 0.411 217 C C 1.716 176.701 174.990 -0.008 0.000 1.286 217 C CA 0.678 59.729 59.018 0.054 0.000 1.979 217 C CB 0.334 28.170 27.740 0.159 0.000 2.728 217 C HN 0.717 nan 8.230 nan 0.000 0.652 218 S N 0.724 116.538 115.700 0.190 0.000 2.800 218 S HA 0.227 4.697 4.470 0.001 0.000 0.266 218 S C -0.076 174.748 174.600 0.374 0.000 1.029 218 S CA 0.358 58.756 58.200 0.329 0.000 1.302 218 S CB -0.154 63.168 63.200 0.202 0.000 1.212 218 S HN 1.194 nan 8.310 nan 0.000 0.683 219 T N -1.584 113.156 114.554 0.310 0.000 2.916 219 T HA 0.812 5.163 4.350 0.001 0.000 0.305 219 T C 1.168 175.966 174.700 0.163 0.000 1.119 219 T CA -0.156 62.069 62.100 0.207 0.000 1.008 219 T CB 1.363 70.318 68.868 0.144 0.000 1.129 219 T HN 0.351 nan 8.240 nan 0.000 0.480 220 A N 2.142 125.026 122.820 0.107 0.000 1.915 220 A HA -0.199 4.122 4.320 0.001 0.000 0.220 220 A C 2.303 179.784 177.584 -0.172 0.000 1.198 220 A CA 2.516 54.574 52.037 0.035 0.000 0.647 220 A CB -0.965 18.156 19.000 0.202 0.000 0.825 220 A HN 0.934 nan 8.150 nan 0.000 0.456 221 R N 0.152 120.647 120.500 -0.008 0.000 2.105 221 R HA -0.128 4.213 4.340 0.001 0.000 0.239 221 R C 1.919 178.189 176.300 -0.050 0.000 1.135 221 R CA 2.131 58.189 56.100 -0.070 0.000 0.967 221 R CB -0.551 29.857 30.300 0.180 0.000 0.861 221 R HN 0.725 nan 8.270 nan 0.000 0.442 222 E N -0.463 119.750 120.200 0.021 0.000 2.072 222 E HA -0.179 4.172 4.350 0.001 0.000 0.191 222 E C 2.013 178.672 176.600 0.100 0.000 0.985 222 E CA 1.670 58.084 56.400 0.023 0.000 0.801 222 E CB -0.119 29.650 29.700 0.115 0.000 0.750 222 E HN 0.358 nan 8.360 nan 0.000 0.452 223 M N 0.085 119.806 119.600 0.201 0.000 2.065 223 M HA -0.195 4.285 4.480 0.001 0.000 0.259 223 M C 2.242 178.639 176.300 0.161 0.000 1.071 223 M CA 1.464 56.973 55.300 0.350 0.000 1.109 223 M CB -0.468 32.114 32.600 -0.030 0.000 1.313 223 M HN 0.125 nan 8.290 nan 0.000 0.408 224 F N 1.464 121.231 119.950 -0.306 0.000 2.147 224 F HA -0.265 4.262 4.527 0.001 0.000 0.301 224 F C 2.024 177.706 175.800 -0.197 0.000 1.084 224 F CA 1.911 59.670 58.000 -0.401 0.000 1.268 224 F CB -0.320 38.099 39.000 -0.968 0.000 1.009 224 F HN 0.220 nan 8.300 nan 0.000 0.486 225 E N -1.805 118.180 120.200 -0.358 0.000 2.299 225 E HA -0.134 4.217 4.350 0.001 0.000 0.193 225 E C 1.774 178.153 176.600 -0.368 0.000 0.998 225 E CA 0.864 57.001 56.400 -0.439 0.000 0.851 225 E CB -0.231 29.282 29.700 -0.311 0.000 0.795 225 E HN 0.630 nan 8.360 nan 0.000 0.492 226 H N 0.213 119.179 119.070 -0.174 0.000 2.372 226 H HA 0.052 4.609 4.556 0.001 0.000 0.301 226 H C 2.077 177.282 175.328 -0.205 0.000 1.065 226 H CA 0.833 56.767 56.048 -0.190 0.000 1.364 226 H CB 0.276 29.960 29.762 -0.129 0.000 1.406 226 H HN 0.041 nan 8.280 nan 0.000 0.521 227 I N -0.210 120.358 120.570 -0.003 0.000 2.226 227 I HA -0.321 3.850 4.170 0.001 0.000 0.245 227 I C 2.086 178.118 176.117 -0.142 0.000 1.100 227 I CA 0.732 61.996 61.300 -0.060 0.000 1.374 227 I CB -0.218 37.762 38.000 -0.033 0.000 1.057 227 I HN 0.412 nan 8.210 nan 0.000 0.413 228 C N 0.319 119.445 119.300 -0.289 0.000 2.413 228 C HA -0.180 4.280 4.460 0.001 0.000 0.276 228 C C 2.993 177.877 174.990 -0.176 0.000 1.248 228 C CA 1.023 59.870 59.018 -0.285 0.000 1.742 228 C CB -1.196 26.265 27.740 -0.465 0.000 2.017 228 C HN 0.461 nan 8.230 nan 0.000 0.481 229 R N -0.311 120.062 120.500 -0.212 0.000 2.081 229 R HA -0.159 4.182 4.340 0.001 0.000 0.235 229 R C 2.450 178.622 176.300 -0.215 0.000 1.131 229 R CA 1.497 57.461 56.100 -0.226 0.000 0.960 229 R CB -0.624 29.475 30.300 -0.335 0.000 0.856 229 R HN 0.664 nan 8.270 nan 0.000 0.436 230 H N 0.373 119.228 119.070 -0.359 0.000 2.270 230 H HA -0.096 4.460 4.556 0.001 0.000 0.299 230 H C 2.009 177.349 175.328 0.019 0.000 1.077 230 H CA 2.144 58.065 56.048 -0.212 0.000 1.294 230 H CB -0.261 29.416 29.762 -0.142 0.000 1.371 230 H HN 0.071 nan 8.280 nan 0.000 0.491 231 V N 1.601 121.638 119.914 0.204 0.000 2.324 231 V HA -0.280 3.841 4.120 0.001 0.000 0.250 231 V C 2.930 179.087 176.094 0.105 0.000 1.060 231 V CA 2.318 64.701 62.300 0.139 0.000 1.042 231 V CB -0.660 31.178 31.823 0.025 0.000 0.650 231 V HN 0.369 nan 8.190 nan 0.000 0.450 232 R N -1.305 119.231 120.500 0.061 0.000 2.066 232 R HA -0.199 4.142 4.340 0.001 0.000 0.232 232 R C 2.406 178.750 176.300 0.073 0.000 1.131 232 R CA 2.003 58.130 56.100 0.044 0.000 0.955 232 R CB -0.445 29.863 30.300 0.012 0.000 0.851 232 R HN 0.602 nan 8.270 nan 0.000 0.432 233 Y N 1.062 121.374 120.300 0.019 0.000 2.070 233 Y HA -0.224 4.327 4.550 0.001 0.000 0.280 233 Y C 2.381 178.331 175.900 0.083 0.000 1.148 233 Y CA 2.322 60.465 58.100 0.071 0.000 1.125 233 Y CB -0.382 38.177 38.460 0.165 0.000 0.975 233 Y HN 0.049 nan 8.280 nan 0.000 0.492 234 S N -0.572 115.225 115.700 0.162 0.000 2.368 234 S HA -0.194 4.277 4.470 0.001 0.000 0.225 234 S C 1.905 176.535 174.600 0.050 0.000 1.030 234 S CA 1.701 59.968 58.200 0.111 0.000 0.999 234 S CB -0.791 62.562 63.200 0.254 0.000 0.844 234 S HN 0.579 nan 8.310 nan 0.000 0.459 235 T N 1.805 116.400 114.554 0.069 0.000 2.684 235 T HA -0.129 4.222 4.350 0.001 0.000 0.267 235 T C 1.005 175.710 174.700 0.009 0.000 1.036 235 T CA 1.324 63.461 62.100 0.061 0.000 1.148 235 T CB -0.765 68.138 68.868 0.058 0.000 0.863 235 T HN 0.513 nan 8.240 nan 0.000 0.436 236 N N 1.318 119.991 118.700 -0.045 0.000 2.699 236 N HA -0.270 4.471 4.740 0.001 0.000 0.256 236 N C 0.070 175.555 175.510 -0.041 0.000 0.993 236 N CA 1.009 54.011 53.050 -0.080 0.000 0.759 236 N CB -1.861 36.535 38.487 -0.152 0.000 0.906 236 N HN 0.547 nan 8.380 nan 0.000 0.541 237 N N -2.261 116.428 118.700 -0.019 0.000 2.900 237 N HA -0.228 4.512 4.740 0.001 0.000 0.240 237 N C 0.948 176.453 175.510 -0.009 0.000 0.953 237 N CA 2.348 55.390 53.050 -0.013 0.000 0.950 237 N CB -1.205 37.270 38.487 -0.021 0.000 1.102 237 N HN 1.016 nan 8.380 nan 0.000 0.593 238 G N -0.899 107.903 108.800 0.004 0.000 2.545 238 G HA2 -0.228 3.733 3.960 0.001 0.000 0.195 238 G HA3 -0.228 3.733 3.960 0.001 0.000 0.195 238 G C -0.059 174.851 174.900 0.017 0.000 1.009 238 G CA 0.030 45.141 45.100 0.018 0.000 0.703 238 G HN 0.381 nan 8.290 nan 0.000 0.479 239 N N 2.481 121.172 118.700 -0.015 0.000 3.178 239 N HA 0.301 5.041 4.740 0.001 0.000 0.300 239 N C 1.023 176.524 175.510 -0.016 0.000 1.242 239 N CA -0.418 52.607 53.050 -0.041 0.000 1.192 239 N CB -0.475 37.977 38.487 -0.058 0.000 1.463 239 N HN 0.332 nan 8.380 nan 0.000 0.539 240 I N 1.116 121.714 120.570 0.047 0.000 3.110 240 I HA -0.163 4.008 4.170 0.001 0.000 0.305 240 I C 0.896 177.131 176.117 0.197 0.000 1.232 240 I CA 1.043 62.435 61.300 0.153 0.000 1.431 240 I CB -0.137 38.050 38.000 0.312 0.000 1.320 240 I HN 0.416 nan 8.210 nan 0.000 0.583 241 R N 2.795 123.417 120.500 0.203 0.000 2.698 241 R HA 0.416 4.757 4.340 0.001 0.000 0.275 241 R C -0.869 175.579 176.300 0.246 0.000 1.001 241 R CA -0.714 55.519 56.100 0.222 0.000 0.896 241 R CB 2.142 32.447 30.300 0.009 0.000 1.218 241 R HN 0.572 nan 8.270 nan 0.000 0.462 242 S N 0.996 116.833 115.700 0.229 0.000 2.537 242 S HA 0.735 5.205 4.470 0.001 0.000 0.275 242 S C -0.611 174.043 174.600 0.090 0.000 1.272 242 S CA -0.485 57.768 58.200 0.088 0.000 1.050 242 S CB 1.607 64.795 63.200 -0.019 0.000 0.961 242 S HN 0.685 nan 8.310 nan 0.000 0.496 243 A N 2.477 125.312 122.820 0.026 0.000 2.599 243 A HA 0.842 5.163 4.320 0.001 0.000 0.290 243 A C -1.498 176.121 177.584 0.057 0.000 1.101 243 A CA -0.675 51.309 52.037 -0.088 0.000 0.674 243 A CB 1.101 19.965 19.000 -0.226 0.000 1.277 243 A HN 0.822 nan 8.150 nan 0.000 0.419 244 I N 0.062 120.669 120.570 0.062 0.000 2.752 244 I HA 0.617 4.788 4.170 0.001 0.000 0.295 244 I C -1.249 175.016 176.117 0.247 0.000 1.219 244 I CA -0.195 61.272 61.300 0.279 0.000 1.030 244 I CB 2.432 40.519 38.000 0.145 0.000 1.259 244 I HN 0.582 nan 8.210 nan 0.000 0.423 245 T N 6.286 121.000 114.554 0.267 0.000 2.770 245 T HA 0.396 4.747 4.350 0.001 0.000 0.297 245 T C -0.546 174.040 174.700 -0.190 0.000 0.997 245 T CA -0.313 61.800 62.100 0.022 0.000 0.949 245 T CB 1.095 69.921 68.868 -0.070 0.000 0.941 245 T HN 0.285 nan 8.240 nan 0.000 0.457 246 V N 5.457 125.218 119.914 -0.255 0.000 2.385 246 V HA 0.424 4.545 4.120 0.001 0.000 0.269 246 V C -0.104 175.808 176.094 -0.304 0.000 1.043 246 V CA -0.662 61.511 62.300 -0.212 0.000 0.906 246 V CB -0.308 31.354 31.823 -0.268 0.000 0.995 246 V HN 0.719 nan 8.190 nan 0.000 0.467 247 F N 5.133 125.097 119.950 0.022 0.000 2.375 247 F HA 0.491 5.018 4.527 0.001 0.000 0.317 247 F C -1.798 174.003 175.800 0.002 0.000 1.124 247 F CA -2.384 55.585 58.000 -0.050 0.000 1.050 247 F CB 0.621 39.619 39.000 -0.004 0.000 1.314 247 F HN 0.308 nan 8.300 nan 0.000 0.511 248 P HA -0.037 nan 4.420 nan 0.000 0.264 248 P C -1.176 176.127 177.300 0.004 0.000 1.183 248 P CA -0.073 62.968 63.100 -0.099 0.000 0.763 248 P CB 0.212 31.631 31.700 -0.469 0.000 0.807 249 Q N 3.220 122.926 119.800 -0.157 0.000 2.454 249 Q HA 0.129 4.470 4.340 0.001 0.000 0.247 249 Q C 0.098 175.936 176.000 -0.270 0.000 1.028 249 Q CA -0.545 54.901 55.803 -0.595 0.000 0.910 249 Q CB 0.795 28.921 28.738 -1.020 0.000 1.276 249 Q HN 0.326 nan 8.270 nan 0.000 0.489 250 R N 0.856 121.189 120.500 -0.278 0.000 2.590 250 R HA 0.042 4.383 4.340 0.001 0.000 0.274 250 R C -0.053 176.181 176.300 -0.109 0.000 1.061 250 R CA 0.738 56.772 56.100 -0.110 0.000 1.081 250 R CB 0.587 30.824 30.300 -0.104 0.000 0.984 250 R HN 0.970 nan 8.270 nan 0.000 0.448 251 S N 2.083 117.764 115.700 -0.032 0.000 3.026 251 S HA -0.009 4.462 4.470 0.001 0.000 0.169 251 S C 0.871 175.461 174.600 -0.015 0.000 0.680 251 S CA 0.123 58.300 58.200 -0.039 0.000 0.826 251 S CB -0.307 62.869 63.200 -0.040 0.000 0.779 251 S HN 0.799 nan 8.310 nan 0.000 0.664 252 D N 0.576 120.990 120.400 0.022 0.000 2.323 252 D HA 0.292 4.933 4.640 0.001 0.000 0.209 252 D C 1.460 177.784 176.300 0.041 0.000 0.973 252 D CA 1.045 55.067 54.000 0.036 0.000 0.874 252 D CB -0.462 40.377 40.800 0.066 0.000 0.930 252 D HN 0.941 nan 8.370 nan 0.000 0.521 253 G N 0.304 109.138 108.800 0.056 0.000 2.201 253 G HA2 -0.292 3.669 3.960 0.001 0.000 0.212 253 G HA3 -0.292 3.669 3.960 0.001 0.000 0.212 253 G C 1.019 175.934 174.900 0.024 0.000 0.994 253 G CA 0.218 45.333 45.100 0.025 0.000 0.644 253 G HN 0.424 nan 8.290 nan 0.000 0.508 254 K N -0.316 120.123 120.400 0.065 0.000 2.353 254 K HA 0.303 4.624 4.320 0.001 0.000 0.195 254 K C 0.626 177.087 176.600 -0.231 0.000 1.031 254 K CA 0.354 56.602 56.287 -0.065 0.000 1.079 254 K CB 0.256 32.700 32.500 -0.094 0.000 0.857 254 K HN 0.493 nan 8.250 nan 0.000 0.535 255 H N 0.368 119.421 119.070 -0.030 0.000 2.505 255 H HA 0.199 4.756 4.556 0.001 0.000 0.260 255 H C -1.057 174.231 175.328 -0.068 0.000 1.168 255 H CA -0.886 55.127 56.048 -0.059 0.000 0.945 255 H CB 0.000 29.766 29.762 0.007 0.000 1.800 255 H HN -0.014 nan 8.280 nan 0.000 0.586 256 D N 0.333 120.737 120.400 0.007 0.000 2.414 256 D HA 0.013 4.654 4.640 0.001 0.000 0.242 256 D C -0.280 175.975 176.300 -0.074 0.000 1.129 256 D CA 0.379 54.407 54.000 0.046 0.000 0.885 256 D CB 0.491 41.305 40.800 0.023 0.000 1.198 256 D HN 0.174 nan 8.370 nan 0.000 0.437 257 F N 2.565 122.520 119.950 0.009 0.000 2.293 257 F HA 0.353 4.880 4.527 0.001 0.000 0.370 257 F C 0.881 176.626 175.800 -0.091 0.000 1.090 257 F CA -0.560 57.402 58.000 -0.064 0.000 1.133 257 F CB 0.553 39.511 39.000 -0.070 0.000 1.360 257 F HN -0.088 nan 8.300 nan 0.000 0.489 258 R N 1.256 121.777 120.500 0.036 0.000 2.854 258 R HA 0.810 5.151 4.340 0.001 0.000 0.271 258 R C -1.429 174.924 176.300 0.088 0.000 0.996 258 R CA -1.277 54.864 56.100 0.069 0.000 0.961 258 R CB 2.565 32.919 30.300 0.089 0.000 1.182 258 R HN 0.178 nan 8.270 nan 0.000 0.479 259 V N 1.747 121.723 119.914 0.102 0.000 2.357 259 V HA 0.108 4.229 4.120 0.001 0.000 0.284 259 V C -0.088 176.170 176.094 0.274 0.000 1.018 259 V CA -0.538 61.835 62.300 0.121 0.000 0.841 259 V CB 1.178 33.016 31.823 0.025 0.000 0.991 259 V HN 0.802 nan 8.190 nan 0.000 0.437 260 W N 2.181 123.465 121.300 -0.027 0.000 2.402 260 W HA -0.019 4.643 4.660 0.002 0.000 0.286 260 W C 1.044 177.632 176.519 0.115 0.000 1.221 260 W CA -0.146 57.233 57.345 0.057 0.000 1.257 260 W CB -0.700 28.835 29.460 0.126 0.000 1.120 260 W HN 0.535 nan 8.180 nan 0.000 0.551 261 N N 0.270 119.134 118.700 0.273 0.000 2.454 261 N HA 0.222 4.963 4.740 0.001 0.000 0.254 261 N C 1.108 176.673 175.510 0.092 0.000 1.228 261 N CA 0.768 53.909 53.050 0.152 0.000 0.900 261 N CB 0.567 39.076 38.487 0.035 0.000 1.089 261 N HN -0.031 nan 8.380 nan 0.000 0.449 262 A N 2.008 124.882 122.820 0.091 0.000 1.969 262 A HA -0.124 4.197 4.320 0.001 0.000 0.218 262 A C 0.443 178.015 177.584 -0.020 0.000 1.169 262 A CA 1.350 53.416 52.037 0.049 0.000 0.635 262 A CB -0.111 18.941 19.000 0.088 0.000 0.810 262 A HN 0.754 nan 8.150 nan 0.000 0.445 263 Q N -2.089 117.686 119.800 -0.041 0.000 2.495 263 Q HA 0.547 4.888 4.340 0.001 0.000 0.287 263 Q C 0.207 176.118 176.000 -0.149 0.000 1.078 263 Q CA -0.734 55.003 55.803 -0.109 0.000 0.793 263 Q CB 1.616 30.311 28.738 -0.072 0.000 1.459 263 Q HN 0.190 nan 8.270 nan 0.000 0.422 264 L N 0.206 121.313 121.223 -0.193 0.000 2.056 264 L HA 0.041 4.382 4.340 0.001 0.000 0.207 264 L C 0.542 177.266 176.870 -0.243 0.000 1.078 264 L CA 1.307 56.034 54.840 -0.189 0.000 0.749 264 L CB 0.059 41.999 42.059 -0.198 0.000 0.901 264 L HN 0.482 nan 8.230 nan 0.000 0.433 265 I N -0.491 119.846 120.570 -0.389 0.000 2.418 265 I HA 0.388 4.558 4.170 0.001 0.000 0.287 265 I C -0.265 175.278 176.117 -0.956 0.000 1.008 265 I CA -0.332 60.579 61.300 -0.647 0.000 1.104 265 I CB 1.853 39.377 38.000 -0.794 0.000 1.264 265 I HN 0.028 nan 8.210 nan 0.000 0.438 266 R N 3.948 124.027 120.500 -0.701 0.000 2.634 266 R HA 0.459 4.800 4.340 0.001 0.000 0.263 266 R C -1.771 174.349 176.300 -0.300 0.000 1.060 266 R CA -0.848 54.956 56.100 -0.493 0.000 0.898 266 R CB 2.073 32.277 30.300 -0.159 0.000 1.253 266 R HN 0.320 nan 8.270 nan 0.000 0.461 267 Y N 0.715 121.048 120.300 0.056 0.000 2.301 267 Y HA 0.497 5.048 4.550 0.001 0.000 0.325 267 Y C 0.893 176.823 175.900 0.050 0.000 1.203 267 Y CA -0.438 57.728 58.100 0.109 0.000 1.255 267 Y CB 1.065 39.683 38.460 0.263 0.000 1.232 267 Y HN 0.658 nan 8.280 nan 0.000 0.501 268 A N 1.132 124.055 122.820 0.171 0.000 2.346 268 A HA 0.656 4.977 4.320 0.001 0.000 0.252 268 A C 0.440 177.903 177.584 -0.202 0.000 1.089 268 A CA 0.176 52.149 52.037 -0.107 0.000 0.797 268 A CB -0.188 18.674 19.000 -0.230 0.000 1.047 268 A HN 0.938 nan 8.150 nan 0.000 0.494 269 G N -0.238 108.347 108.800 -0.359 0.000 2.737 269 G HA2 0.556 4.517 3.960 0.001 0.000 0.290 269 G HA3 0.556 4.517 3.960 0.001 0.000 0.290 269 G C -1.308 173.420 174.900 -0.286 0.000 1.482 269 G CA -0.252 44.709 45.100 -0.232 0.000 1.017 269 G HN 0.490 nan 8.290 nan 0.000 0.529 270 Y N 0.673 121.017 120.300 0.072 0.000 2.341 270 Y HA 0.490 5.041 4.550 0.001 0.000 0.337 270 Y C 0.607 176.562 175.900 0.091 0.000 1.014 270 Y CA -0.884 57.288 58.100 0.119 0.000 1.111 270 Y CB 2.023 40.632 38.460 0.247 0.000 1.194 270 Y HN 0.528 nan 8.280 nan 0.000 0.462 271 Q N 3.611 123.544 119.800 0.222 0.000 2.279 271 Q HA 0.367 4.707 4.340 0.001 0.000 0.256 271 Q C -0.741 175.336 176.000 0.130 0.000 0.937 271 Q CA -0.698 55.181 55.803 0.128 0.000 0.933 271 Q CB 0.664 29.448 28.738 0.078 0.000 1.189 271 Q HN 0.589 nan 8.270 nan 0.000 0.417 272 M N 4.257 123.897 119.600 0.067 0.000 2.369 272 M HA 0.258 4.739 4.480 0.001 0.000 0.291 272 M C -1.675 174.613 176.300 -0.020 0.000 1.178 272 M CA -2.462 52.836 55.300 -0.003 0.000 0.996 272 M CB -0.395 32.185 32.600 -0.034 0.000 1.472 272 M HN 0.484 nan 8.290 nan 0.000 0.496 273 P HA -0.162 nan 4.420 nan 0.000 0.217 273 P C 0.288 177.570 177.300 -0.030 0.000 1.148 273 P CA 1.365 64.436 63.100 -0.047 0.000 0.828 273 P CB -0.011 31.646 31.700 -0.073 0.000 0.783 274 D N -2.239 118.143 120.400 -0.030 0.000 2.460 274 D HA 0.105 4.745 4.640 0.001 0.000 0.229 274 D C 1.340 177.634 176.300 -0.009 0.000 1.170 274 D CA 0.334 54.322 54.000 -0.020 0.000 0.827 274 D CB -0.488 40.297 40.800 -0.024 0.000 0.973 274 D HN 0.200 nan 8.370 nan 0.000 0.496 275 G N 1.394 110.193 108.800 -0.002 0.000 2.507 275 G HA2 -0.399 3.562 3.960 0.001 0.000 0.240 275 G HA3 -0.399 3.562 3.960 0.001 0.000 0.240 275 G C 0.644 175.551 174.900 0.012 0.000 1.119 275 G CA 0.619 45.723 45.100 0.007 0.000 0.664 275 G HN 0.828 nan 8.290 nan 0.000 0.516 276 S N 1.493 117.197 115.700 0.006 0.000 2.549 276 S HA 0.412 4.882 4.470 0.001 0.000 0.278 276 S C 0.344 174.956 174.600 0.021 0.000 1.344 276 S CA 0.445 58.650 58.200 0.008 0.000 1.025 276 S CB 0.879 64.079 63.200 0.000 0.000 0.851 276 S HN 0.831 nan 8.310 nan 0.000 0.530 277 I N 1.035 121.616 120.570 0.018 0.000 2.530 277 I HA 0.540 4.711 4.170 0.001 0.000 0.297 277 I C 0.309 176.439 176.117 0.023 0.000 1.011 277 I CA -0.603 60.714 61.300 0.029 0.000 1.107 277 I CB 1.662 39.664 38.000 0.003 0.000 1.285 277 I HN 0.851 nan 8.210 nan 0.000 0.436 278 R N 2.528 123.076 120.500 0.080 0.000 2.599 278 R HA 0.679 5.020 4.340 0.001 0.000 0.295 278 R C 0.185 176.533 176.300 0.079 0.000 0.963 278 R CA 0.276 56.425 56.100 0.082 0.000 0.883 278 R CB 1.810 32.204 30.300 0.156 0.000 1.171 278 R HN 0.945 nan 8.270 nan 0.000 0.450 279 G N 2.633 111.377 108.800 -0.094 0.000 2.475 279 G HA2 -0.247 3.714 3.960 0.001 0.000 0.223 279 G HA3 -0.247 3.714 3.960 0.001 0.000 0.223 279 G C -1.287 173.295 174.900 -0.529 0.000 1.201 279 G CA 0.028 45.025 45.100 -0.171 0.000 0.962 279 G HN 0.638 nan 8.290 nan 0.000 0.586 280 D N 2.482 122.746 120.400 -0.227 0.000 2.428 280 D HA 0.477 5.118 4.640 0.001 0.000 0.221 280 D C -0.585 175.666 176.300 -0.081 0.000 1.123 280 D CA -1.656 52.235 54.000 -0.182 0.000 0.869 280 D CB 1.366 42.373 40.800 0.346 0.000 1.032 280 D HN 0.116 nan 8.370 nan 0.000 0.506 281 P HA -0.112 nan 4.420 nan 0.000 0.234 281 P C 0.781 178.090 177.300 0.016 0.000 1.162 281 P CA 0.423 63.499 63.100 -0.040 0.000 0.759 281 P CB 0.289 31.965 31.700 -0.040 0.000 0.813 282 A N 0.367 123.221 122.820 0.056 0.000 2.021 282 A HA -0.025 4.296 4.320 0.001 0.000 0.216 282 A C 1.669 179.301 177.584 0.079 0.000 1.163 282 A CA 0.706 52.798 52.037 0.090 0.000 0.676 282 A CB -0.965 18.122 19.000 0.146 0.000 0.818 282 A HN 0.288 nan 8.150 nan 0.000 0.453 283 N N -0.199 118.532 118.700 0.052 0.000 2.279 283 N HA 0.196 4.937 4.740 0.001 0.000 0.226 283 N C 0.800 176.277 175.510 -0.055 0.000 1.126 283 N CA -0.084 52.973 53.050 0.011 0.000 0.846 283 N CB 0.777 39.270 38.487 0.011 0.000 1.050 283 N HN 0.157 nan 8.380 nan 0.000 0.502 284 V N 1.356 121.245 119.914 -0.041 0.000 2.252 284 V HA -0.303 3.818 4.120 0.001 0.000 0.249 284 V C 2.232 178.268 176.094 -0.096 0.000 1.056 284 V CA 1.847 64.112 62.300 -0.058 0.000 1.022 284 V CB -0.368 31.444 31.823 -0.019 0.000 0.641 284 V HN 0.399 nan 8.190 nan 0.000 0.445 285 E N -0.509 119.620 120.200 -0.118 0.000 2.023 285 E HA -0.262 4.089 4.350 0.001 0.000 0.196 285 E C 2.161 178.534 176.600 -0.379 0.000 1.003 285 E CA 1.754 58.008 56.400 -0.243 0.000 0.809 285 E CB -0.320 29.211 29.700 -0.282 0.000 0.755 285 E HN 0.534 nan 8.360 nan 0.000 0.449 286 I N 1.101 121.418 120.570 -0.422 0.000 2.248 286 I HA -0.279 3.892 4.170 0.001 0.000 0.248 286 I C 2.108 178.089 176.117 -0.228 0.000 1.107 286 I CA 1.624 62.693 61.300 -0.385 0.000 1.373 286 I CB -0.228 37.650 38.000 -0.202 0.000 1.055 286 I HN 0.045 nan 8.210 nan 0.000 0.418 287 T N -0.162 114.283 114.554 -0.182 0.000 2.708 287 T HA -0.234 4.117 4.350 0.001 0.000 0.266 287 T C 1.780 176.455 174.700 -0.041 0.000 1.037 287 T CA 1.730 63.748 62.100 -0.136 0.000 1.146 287 T CB -0.295 68.456 68.868 -0.195 0.000 0.865 287 T HN 0.384 nan 8.240 nan 0.000 0.435 288 Q N 0.877 120.637 119.800 -0.067 0.000 2.096 288 Q HA 0.004 4.345 4.340 0.001 0.000 0.204 288 Q C 2.097 178.070 176.000 -0.045 0.000 0.982 288 Q CA 1.366 57.151 55.803 -0.029 0.000 0.850 288 Q CB -0.791 27.915 28.738 -0.054 0.000 0.901 288 Q HN 0.519 nan 8.270 nan 0.000 0.422 289 L N -0.761 120.395 121.223 -0.113 0.000 2.079 289 L HA -0.256 4.085 4.340 0.001 0.000 0.210 289 L C 2.142 178.985 176.870 -0.044 0.000 1.081 289 L CA 1.383 56.169 54.840 -0.091 0.000 0.752 289 L CB -0.338 41.648 42.059 -0.122 0.000 0.896 289 L HN 0.425 nan 8.230 nan 0.000 0.433 290 C N -0.098 119.178 119.300 -0.039 0.000 2.432 290 C HA -0.173 4.287 4.460 0.001 0.000 0.277 290 C C 2.606 177.684 174.990 0.146 0.000 1.249 290 C CA 0.708 59.724 59.018 -0.002 0.000 1.725 290 C CB -0.698 26.967 27.740 -0.124 0.000 2.028 290 C HN 0.514 nan 8.230 nan 0.000 0.477 291 I N 1.190 121.877 120.570 0.194 0.000 2.127 291 I HA -0.221 3.950 4.170 0.001 0.000 0.241 291 I C 1.980 178.126 176.117 0.047 0.000 1.075 291 I CA 1.687 63.078 61.300 0.151 0.000 1.334 291 I CB -0.755 37.312 38.000 0.112 0.000 1.040 291 I HN 0.301 nan 8.210 nan 0.000 0.405 292 D N 0.817 121.216 120.400 -0.002 0.000 2.311 292 D HA -0.135 4.506 4.640 0.001 0.000 0.212 292 D C 1.756 178.009 176.300 -0.077 0.000 0.972 292 D CA 1.192 55.156 54.000 -0.060 0.000 0.887 292 D CB -0.162 40.573 40.800 -0.109 0.000 0.915 292 D HN 0.335 nan 8.370 nan 0.000 0.497 293 L N -1.021 120.177 121.223 -0.042 0.000 2.685 293 L HA 0.261 4.602 4.340 0.001 0.000 0.233 293 L C 1.503 178.362 176.870 -0.019 0.000 1.173 293 L CA 0.172 54.982 54.840 -0.050 0.000 0.961 293 L CB 0.372 42.400 42.059 -0.053 0.000 1.217 293 L HN 0.163 nan 8.230 nan 0.000 0.478 294 G N -1.308 107.496 108.800 0.007 0.000 2.254 294 G HA2 -0.333 3.628 3.960 0.001 0.000 0.225 294 G HA3 -0.333 3.628 3.960 0.001 0.000 0.225 294 G C 0.049 174.987 174.900 0.064 0.000 1.003 294 G CA -0.179 44.928 45.100 0.011 0.000 0.622 294 G HN 0.254 nan 8.290 nan 0.000 0.507 295 W N 3.951 125.197 121.300 -0.089 0.000 2.347 295 W HA 0.516 5.177 4.660 0.001 0.000 0.333 295 W C 0.567 177.050 176.519 -0.061 0.000 1.383 295 W CA 0.119 57.417 57.345 -0.079 0.000 1.283 295 W CB 0.389 29.802 29.460 -0.079 0.000 1.253 295 W HN 0.160 nan 8.180 nan 0.000 0.563 296 K N 8.984 129.028 120.400 -0.594 0.000 2.285 296 K HA 0.194 4.515 4.320 0.001 0.000 0.286 296 K C -1.915 174.051 176.600 -1.056 0.000 1.072 296 K CA -1.502 54.425 56.287 -0.601 0.000 0.913 296 K CB 0.475 32.748 32.500 -0.378 0.000 1.067 296 K HN 0.255 nan 8.250 nan 0.000 0.479 297 P HA 0.047 nan 4.420 nan 0.000 0.271 297 P C -0.626 176.102 177.300 -0.953 0.000 1.218 297 P CA -0.146 62.368 63.100 -0.977 0.000 0.780 297 P CB 1.026 32.207 31.700 -0.864 0.000 0.901 298 K N 0.753 120.621 120.400 -0.886 0.000 2.391 298 K HA 0.098 4.419 4.320 0.001 0.000 0.197 298 K C -0.312 175.970 176.600 -0.530 0.000 1.087 298 K CA -0.043 55.934 56.287 -0.517 0.000 1.012 298 K CB -0.066 32.304 32.500 -0.215 0.000 0.925 298 K HN 0.265 nan 8.250 nan 0.000 0.547 299 Y N 0.142 119.839 120.300 -1.006 0.000 3.589 299 Y HA -0.252 4.299 4.550 0.001 0.000 0.218 299 Y C 0.700 176.380 175.900 -0.366 0.000 1.234 299 Y CA 0.508 57.971 58.100 -1.061 0.000 1.576 299 Y CB -2.348 35.736 38.460 -0.626 0.000 1.487 299 Y HN 0.193 nan 8.280 nan 0.000 0.616 300 G N -0.302 108.480 108.800 -0.030 0.000 2.537 300 G HA2 0.492 4.453 3.960 0.001 0.000 0.297 300 G HA3 0.492 4.453 3.960 0.001 0.000 0.297 300 G C 0.639 175.606 174.900 0.112 0.000 1.310 300 G CA -0.473 44.678 45.100 0.084 0.000 1.027 300 G HN 0.305 nan 8.290 nan 0.000 0.505 301 R N -1.774 118.715 120.500 -0.018 0.000 2.290 301 R HA 0.267 4.607 4.340 0.001 0.000 0.197 301 R C -0.336 175.435 176.300 -0.881 0.000 0.913 301 R CA 0.255 56.157 56.100 -0.331 0.000 1.040 301 R CB 0.100 30.182 30.300 -0.363 0.000 0.992 301 R HN 0.340 nan 8.270 nan 0.000 0.500 302 F N 0.493 120.405 119.950 -0.062 0.000 2.664 302 F HA 0.288 4.816 4.527 0.001 0.000 0.353 302 F C -1.173 174.513 175.800 -0.191 0.000 1.498 302 F CA -1.263 56.342 58.000 -0.658 0.000 1.109 302 F CB 0.771 39.135 39.000 -1.061 0.000 1.728 302 F HN -0.244 nan 8.300 nan 0.000 0.580 303 D N 1.554 122.114 120.400 0.267 0.000 2.249 303 D HA 0.251 4.891 4.640 0.001 0.000 0.246 303 D C 0.088 176.670 176.300 0.471 0.000 1.114 303 D CA -0.096 54.139 54.000 0.393 0.000 0.854 303 D CB 2.821 43.902 40.800 0.468 0.000 1.132 303 D HN -0.027 nan 8.370 nan 0.000 0.461 304 V N 4.060 124.212 119.914 0.397 0.000 2.421 304 V HA 0.002 4.123 4.120 0.001 0.000 0.271 304 V C 0.976 177.083 176.094 0.022 0.000 1.031 304 V CA -0.282 62.138 62.300 0.200 0.000 1.032 304 V CB 0.073 31.966 31.823 0.117 0.000 1.009 304 V HN 0.361 nan 8.190 nan 0.000 0.477 305 L N 9.042 130.185 121.223 -0.133 0.000 2.483 305 L HA 0.207 4.548 4.340 0.001 0.000 0.276 305 L C -1.557 175.065 176.870 -0.413 0.000 1.213 305 L CA -1.065 53.526 54.840 -0.415 0.000 0.843 305 L CB 0.649 42.510 42.059 -0.330 0.000 1.107 305 L HN 0.469 nan 8.230 nan 0.000 0.487 306 P HA 0.170 nan 4.420 nan 0.000 0.276 306 P C -0.951 176.191 177.300 -0.264 0.000 1.244 306 P CA -0.535 62.307 63.100 -0.429 0.000 0.801 306 P CB 0.917 32.229 31.700 -0.646 0.000 1.006 307 L N 1.153 122.311 121.223 -0.108 0.000 2.331 307 L HA 0.213 4.554 4.340 0.001 0.000 0.278 307 L C 0.292 177.139 176.870 -0.038 0.000 1.106 307 L CA -0.710 54.114 54.840 -0.026 0.000 0.824 307 L CB 0.901 43.020 42.059 0.100 0.000 1.142 307 L HN 0.098 nan 8.230 nan 0.000 0.443 308 V N 5.946 125.821 119.914 -0.066 0.000 2.270 308 V HA 0.277 4.398 4.120 0.001 0.000 0.263 308 V C 0.232 176.197 176.094 -0.214 0.000 1.066 308 V CA -0.301 61.896 62.300 -0.172 0.000 0.857 308 V CB 0.524 32.248 31.823 -0.165 0.000 1.099 308 V HN 0.495 nan 8.190 nan 0.000 0.476 309 L N 4.027 125.172 121.223 -0.130 0.000 2.307 309 L HA 0.566 4.906 4.340 0.001 0.000 0.282 309 L C 0.179 176.897 176.870 -0.252 0.000 1.051 309 L CA -0.163 54.594 54.840 -0.139 0.000 0.804 309 L CB 1.326 43.349 42.059 -0.060 0.000 1.197 309 L HN 0.551 nan 8.230 nan 0.000 0.431 310 Q N 3.042 122.701 119.800 -0.236 0.000 2.357 310 Q HA 0.638 4.979 4.340 0.001 0.000 0.266 310 Q C -1.343 174.495 176.000 -0.271 0.000 1.021 310 Q CA -0.607 55.048 55.803 -0.247 0.000 0.784 310 Q CB 1.836 30.541 28.738 -0.055 0.000 1.243 310 Q HN 0.775 nan 8.270 nan 0.000 0.465 311 A N 4.128 126.751 122.820 -0.329 0.000 2.330 311 A HA 0.422 4.743 4.320 0.001 0.000 0.327 311 A C 0.023 177.123 177.584 -0.807 0.000 1.155 311 A CA -0.495 51.179 52.037 -0.606 0.000 0.803 311 A CB 0.781 19.687 19.000 -0.156 0.000 1.208 311 A HN 1.003 nan 8.150 nan 0.000 0.477 312 N N 0.945 118.635 118.700 -1.683 0.000 2.686 312 N HA -0.176 4.565 4.740 0.001 0.000 0.261 312 N C 1.102 176.379 175.510 -0.389 0.000 1.001 312 N CA 2.271 54.856 53.050 -0.775 0.000 0.764 312 N CB -1.070 37.295 38.487 -0.203 0.000 0.898 312 N HN 2.197 nan 8.380 nan 0.000 0.544 313 G N -0.731 107.838 108.800 -0.385 0.000 2.216 313 G HA2 -0.421 3.540 3.960 0.001 0.000 0.269 313 G HA3 -0.421 3.540 3.960 0.001 0.000 0.269 313 G C 0.612 175.420 174.900 -0.154 0.000 0.981 313 G CA 1.042 45.999 45.100 -0.238 0.000 0.658 313 G HN 0.737 nan 8.290 nan 0.000 0.539 314 R N 0.420 120.808 120.500 -0.185 0.000 2.801 314 R HA 0.320 4.661 4.340 0.001 0.000 0.273 314 R C 0.038 176.266 176.300 -0.120 0.000 1.080 314 R CA -0.442 55.589 56.100 -0.116 0.000 1.197 314 R CB 0.177 30.410 30.300 -0.113 0.000 1.109 314 R HN 0.182 nan 8.270 nan 0.000 0.535 315 D N 2.177 122.526 120.400 -0.085 0.000 2.400 315 D HA 0.055 4.696 4.640 0.001 0.000 0.238 315 D C -1.970 174.118 176.300 -0.352 0.000 1.157 315 D CA -0.901 52.972 54.000 -0.211 0.000 0.889 315 D CB 0.279 41.108 40.800 0.049 0.000 1.199 315 D HN 0.238 nan 8.370 nan 0.000 0.436 316 P HA 0.147 nan 4.420 nan 0.000 0.272 316 P C -0.794 176.323 177.300 -0.305 0.000 1.230 316 P CA -0.192 62.531 63.100 -0.629 0.000 0.788 316 P CB 1.013 31.962 31.700 -1.252 0.000 0.949 317 E N 0.438 120.504 120.200 -0.224 0.000 2.293 317 E HA 0.397 4.748 4.350 0.001 0.000 0.270 317 E C -0.879 175.540 176.600 -0.302 0.000 0.879 317 E CA -0.975 55.296 56.400 -0.216 0.000 0.756 317 E CB 1.329 30.938 29.700 -0.151 0.000 1.208 317 E HN 0.227 nan 8.360 nan 0.000 0.428 318 L N 2.460 123.408 121.223 -0.459 0.000 2.371 318 L HA 0.402 4.743 4.340 0.001 0.000 0.272 318 L C -0.776 175.543 176.870 -0.917 0.000 1.124 318 L CA 0.539 55.097 54.840 -0.470 0.000 0.816 318 L CB -0.137 41.730 42.059 -0.320 0.000 1.129 318 L HN 0.447 nan 8.230 nan 0.000 0.448 319 F N 0.540 120.260 119.950 -0.383 0.000 2.588 319 F HA 0.368 4.895 4.527 0.001 0.000 0.318 319 F C 0.048 175.593 175.800 -0.424 0.000 1.155 319 F CA -0.717 56.877 58.000 -0.676 0.000 0.967 319 F CB 1.511 39.756 39.000 -1.259 0.000 1.236 319 F HN 0.396 nan 8.300 nan 0.000 0.455 320 E N 3.784 123.898 120.200 -0.144 0.000 2.197 320 E HA 0.463 4.814 4.350 0.001 0.000 0.281 320 E C -0.481 176.263 176.600 0.240 0.000 0.995 320 E CA -0.654 55.768 56.400 0.037 0.000 0.808 320 E CB 1.773 31.510 29.700 0.061 0.000 1.093 320 E HN 0.461 nan 8.360 nan 0.000 0.394 321 I N 4.913 125.628 120.570 0.241 0.000 2.598 321 I HA 0.052 4.223 4.170 0.001 0.000 0.284 321 I C -1.983 174.237 176.117 0.170 0.000 1.140 321 I CA -1.789 59.658 61.300 0.246 0.000 1.420 321 I CB 0.080 38.149 38.000 0.114 0.000 1.387 321 I HN 0.214 nan 8.210 nan 0.000 0.553 322 P HA 0.028 nan 4.420 nan 0.000 0.258 322 P C -1.945 175.406 177.300 0.085 0.000 1.187 322 P CA -0.716 62.454 63.100 0.116 0.000 0.767 322 P CB 0.100 31.855 31.700 0.091 0.000 0.770 323 P HA -0.260 nan 4.420 nan 0.000 0.219 323 P C 0.787 178.126 177.300 0.065 0.000 1.153 323 P CA 1.632 64.781 63.100 0.082 0.000 0.865 323 P CB -0.172 31.578 31.700 0.083 0.000 0.788 324 D N -1.792 118.641 120.400 0.054 0.000 2.328 324 D HA -0.015 4.625 4.640 0.001 0.000 0.226 324 D C 1.453 177.773 176.300 0.034 0.000 1.066 324 D CA 0.308 54.333 54.000 0.041 0.000 0.861 324 D CB -0.473 40.348 40.800 0.035 0.000 0.912 324 D HN 0.270 nan 8.370 nan 0.000 0.521 325 L N 0.183 121.427 121.223 0.036 0.000 2.590 325 L HA 0.151 4.491 4.340 0.001 0.000 0.227 325 L C 0.273 177.160 176.870 0.029 0.000 1.099 325 L CA 0.054 54.908 54.840 0.025 0.000 0.872 325 L CB 0.969 43.035 42.059 0.012 0.000 1.088 325 L HN -0.157 nan 8.230 nan 0.000 0.479 326 V N 2.154 122.091 119.914 0.039 0.000 2.320 326 V HA 0.141 4.262 4.120 0.001 0.000 0.265 326 V C -0.060 176.070 176.094 0.061 0.000 1.048 326 V CA -0.472 61.854 62.300 0.043 0.000 0.865 326 V CB 1.280 33.130 31.823 0.045 0.000 1.043 326 V HN 0.040 nan 8.190 nan 0.000 0.474 327 L N 6.002 127.263 121.223 0.065 0.000 2.281 327 L HA 0.493 4.834 4.340 0.001 0.000 0.285 327 L C 0.102 177.014 176.870 0.070 0.000 1.074 327 L CA 0.643 55.516 54.840 0.054 0.000 0.817 327 L CB 0.531 42.617 42.059 0.044 0.000 1.168 327 L HN 0.646 nan 8.230 nan 0.000 0.434 328 E N 3.296 123.520 120.200 0.040 0.000 2.263 328 E HA 0.617 4.968 4.350 0.001 0.000 0.264 328 E C -1.365 175.184 176.600 -0.084 0.000 0.923 328 E CA -1.034 55.385 56.400 0.030 0.000 0.802 328 E CB 2.467 32.218 29.700 0.086 0.000 1.228 328 E HN 0.410 nan 8.360 nan 0.000 0.417 329 V N 1.462 121.284 119.914 -0.154 0.000 2.495 329 V HA 0.519 4.640 4.120 0.001 0.000 0.298 329 V C -0.356 175.686 176.094 -0.086 0.000 1.031 329 V CA -0.783 61.359 62.300 -0.264 0.000 0.871 329 V CB 1.520 32.880 31.823 -0.772 0.000 0.988 329 V HN 0.781 nan 8.190 nan 0.000 0.432 330 A N 6.471 129.259 122.820 -0.054 0.000 2.328 330 A HA 0.717 5.037 4.320 0.001 0.000 0.284 330 A C -0.023 177.609 177.584 0.080 0.000 1.160 330 A CA -0.532 51.511 52.037 0.009 0.000 0.818 330 A CB 0.313 19.317 19.000 0.007 0.000 1.087 330 A HN 0.704 nan 8.150 nan 0.000 0.504 331 M N 2.510 122.204 119.600 0.155 0.000 2.184 331 M HA 0.297 4.778 4.480 0.001 0.000 0.351 331 M C -0.023 176.468 176.300 0.318 0.000 1.395 331 M CA 0.726 56.196 55.300 0.283 0.000 1.117 331 M CB -0.365 32.497 32.600 0.437 0.000 1.708 331 M HN 0.715 nan 8.290 nan 0.000 0.468 332 E N 1.246 121.585 120.200 0.230 0.000 2.292 332 E HA 0.304 4.655 4.350 0.001 0.000 0.272 332 E C -1.121 175.411 176.600 -0.113 0.000 0.881 332 E CA -0.669 55.831 56.400 0.166 0.000 0.754 332 E CB 2.522 32.337 29.700 0.192 0.000 1.201 332 E HN 0.497 nan 8.360 nan 0.000 0.425 333 H N 3.977 122.808 119.070 -0.399 0.000 2.467 333 H HA 0.210 4.767 4.556 0.001 0.000 0.331 333 H C -1.732 173.185 175.328 -0.685 0.000 1.120 333 H CA -2.198 53.429 56.048 -0.702 0.000 1.270 333 H CB 1.631 30.922 29.762 -0.785 0.000 1.466 333 H HN 0.363 nan 8.280 nan 0.000 0.504 334 P HA -0.065 nan 4.420 nan 0.000 0.221 334 P C 0.529 177.722 177.300 -0.178 0.000 1.150 334 P CA 1.243 63.968 63.100 -0.626 0.000 0.800 334 P CB 1.011 32.340 31.700 -0.619 0.000 0.787 335 K N -1.330 119.081 120.400 0.017 0.000 2.363 335 K HA 0.122 4.443 4.320 0.001 0.000 0.215 335 K C 0.822 177.374 176.600 -0.080 0.000 1.179 335 K CA 0.018 56.249 56.287 -0.093 0.000 0.856 335 K CB -0.019 32.331 32.500 -0.251 0.000 1.371 335 K HN 0.071 nan 8.250 nan 0.000 0.455 336 Y N 2.956 122.977 120.300 -0.465 0.000 2.783 336 Y HA -0.050 4.501 4.550 0.001 0.000 0.359 336 Y C 0.713 176.200 175.900 -0.688 0.000 1.220 336 Y CA -0.363 57.279 58.100 -0.763 0.000 1.649 336 Y CB 0.029 37.667 38.460 -1.370 0.000 1.273 336 Y HN 0.235 nan 8.280 nan 0.000 0.506 337 E N 3.461 123.537 120.200 -0.206 0.000 2.511 337 E HA -0.113 4.238 4.350 0.001 0.000 0.196 337 E C 1.063 177.655 176.600 -0.013 0.000 1.066 337 E CA 0.229 56.585 56.400 -0.074 0.000 0.871 337 E CB 0.064 29.783 29.700 0.031 0.000 0.863 337 E HN 0.794 nan 8.360 nan 0.000 0.520 338 W N -0.862 120.520 121.300 0.136 0.000 2.770 338 W HA 0.073 4.733 4.660 0.001 0.000 0.256 338 W C 1.174 177.760 176.519 0.112 0.000 1.291 338 W CA -0.347 57.046 57.345 0.080 0.000 1.396 338 W CB -0.878 28.588 29.460 0.009 0.000 1.114 338 W HN -0.017 nan 8.180 nan 0.000 0.637 339 F N 3.436 123.191 119.950 -0.326 0.000 2.091 339 F HA -0.323 4.205 4.527 0.001 0.000 0.299 339 F C 2.968 178.779 175.800 0.017 0.000 1.103 339 F CA 3.442 61.337 58.000 -0.176 0.000 1.228 339 F CB -0.403 38.426 39.000 -0.285 0.000 0.984 339 F HN -0.141 nan 8.300 nan 0.000 0.477 340 R N 0.537 121.147 120.500 0.183 0.000 2.117 340 R HA -0.210 4.131 4.340 0.001 0.000 0.243 340 R C 1.607 177.952 176.300 0.075 0.000 1.143 340 R CA 2.126 58.303 56.100 0.129 0.000 0.968 340 R CB -1.233 29.133 30.300 0.110 0.000 0.863 340 R HN 0.347 nan 8.270 nan 0.000 0.444 341 E N 0.792 121.047 120.200 0.092 0.000 2.515 341 E HA -0.072 4.279 4.350 0.001 0.000 0.201 341 E C 1.573 178.196 176.600 0.038 0.000 1.071 341 E CA 0.535 56.981 56.400 0.077 0.000 0.880 341 E CB -0.022 29.745 29.700 0.112 0.000 0.828 341 E HN 0.461 nan 8.360 nan 0.000 0.540 342 L N 0.221 121.432 121.223 -0.020 0.000 2.418 342 L HA 0.000 4.341 4.340 0.001 0.000 0.218 342 L C 0.473 177.323 176.870 -0.034 0.000 1.125 342 L CA 0.287 55.078 54.840 -0.083 0.000 0.835 342 L CB -0.017 41.864 42.059 -0.297 0.000 0.953 342 L HN 0.074 nan 8.230 nan 0.000 0.454 343 E N 0.697 120.893 120.200 -0.007 0.000 2.389 343 E HA -0.216 4.135 4.350 0.001 0.000 0.243 343 E C -0.385 176.221 176.600 0.010 0.000 1.154 343 E CA 0.041 56.459 56.400 0.029 0.000 0.723 343 E CB -1.319 28.426 29.700 0.074 0.000 1.261 343 E HN 0.406 nan 8.360 nan 0.000 0.390 344 L N 0.604 121.785 121.223 -0.069 0.000 2.379 344 L HA 0.538 4.879 4.340 0.001 0.000 0.269 344 L C 0.563 177.317 176.870 -0.194 0.000 1.084 344 L CA -0.076 54.663 54.840 -0.168 0.000 0.802 344 L CB 1.112 43.008 42.059 -0.271 0.000 1.175 344 L HN 0.119 nan 8.230 nan 0.000 0.448 345 K N 0.936 121.078 120.400 -0.430 0.000 2.571 345 K HA 0.529 4.850 4.320 0.001 0.000 0.289 345 K C -1.988 174.659 176.600 0.079 0.000 1.028 345 K CA -1.062 55.103 56.287 -0.203 0.000 0.895 345 K CB 2.356 34.652 32.500 -0.339 0.000 1.534 345 K HN 0.594 nan 8.250 nan 0.000 0.421 346 W N 1.718 122.995 121.300 -0.039 0.000 3.275 346 W HA 0.285 4.946 4.660 0.001 0.000 0.306 346 W C -1.375 175.182 176.519 0.065 0.000 1.259 346 W CA -0.784 56.595 57.345 0.057 0.000 1.194 346 W CB 1.473 30.865 29.460 -0.114 0.000 1.375 346 W HN 0.705 nan 8.180 nan 0.000 0.564 347 Y N 1.011 121.162 120.300 -0.249 0.000 2.314 347 Y HA 0.543 5.093 4.550 0.001 0.000 0.334 347 Y C 0.682 176.749 175.900 0.279 0.000 1.266 347 Y CA 0.200 58.262 58.100 -0.064 0.000 1.391 347 Y CB 0.306 38.613 38.460 -0.256 0.000 1.306 347 Y HN 0.322 nan 8.280 nan 0.000 0.558 348 A N 1.903 124.967 122.820 0.408 0.000 2.308 348 A HA 0.252 4.573 4.320 0.001 0.000 0.217 348 A C -0.072 177.832 177.584 0.533 0.000 1.216 348 A CA -0.036 52.313 52.037 0.520 0.000 0.864 348 A CB -0.146 19.006 19.000 0.253 0.000 0.902 348 A HN 0.607 nan 8.150 nan 0.000 0.499 349 L N 1.914 123.421 121.223 0.474 0.000 2.295 349 L HA 0.446 4.787 4.340 0.001 0.000 0.281 349 L C -2.628 174.357 176.870 0.193 0.000 1.018 349 L CA -2.131 52.870 54.840 0.269 0.000 0.841 349 L CB 1.827 43.982 42.059 0.159 0.000 1.218 349 L HN -0.059 nan 8.230 nan 0.000 0.424 350 P HA 0.368 nan 4.420 nan 0.000 0.283 350 P C -1.379 175.829 177.300 -0.153 0.000 1.412 350 P CA -0.299 62.651 63.100 -0.251 0.000 0.912 350 P CB 1.282 32.452 31.700 -0.884 0.000 1.132 351 A N 4.456 127.197 122.820 -0.131 0.000 2.340 351 A HA 0.459 4.780 4.320 0.001 0.000 0.297 351 A C -0.227 177.168 177.584 -0.315 0.000 1.195 351 A CA -0.687 51.218 52.037 -0.220 0.000 0.769 351 A CB 1.105 19.982 19.000 -0.206 0.000 1.163 351 A HN 0.291 nan 8.150 nan 0.000 0.472 352 V N 2.046 121.637 119.914 -0.539 0.000 2.572 352 V HA 0.380 4.501 4.120 0.001 0.000 0.291 352 V C 1.199 176.926 176.094 -0.611 0.000 1.039 352 V CA 1.009 62.952 62.300 -0.595 0.000 1.055 352 V CB 1.120 32.392 31.823 -0.919 0.000 0.969 352 V HN 1.131 nan 8.190 nan 0.000 0.482 353 A N 3.962 126.586 122.820 -0.326 0.000 2.456 353 A HA 0.196 4.517 4.320 0.001 0.000 0.237 353 A C 1.076 178.595 177.584 -0.109 0.000 1.217 353 A CA 0.237 52.144 52.037 -0.216 0.000 0.962 353 A CB -0.065 18.856 19.000 -0.132 0.000 1.079 353 A HN 0.856 nan 8.150 nan 0.000 0.536 354 N N -0.617 118.028 118.700 -0.092 0.000 2.328 354 N HA 0.312 5.052 4.740 0.001 0.000 0.247 354 N C -0.231 175.292 175.510 0.021 0.000 1.165 354 N CA -0.093 52.943 53.050 -0.024 0.000 0.873 354 N CB -0.218 38.254 38.487 -0.025 0.000 1.125 354 N HN 0.316 nan 8.380 nan 0.000 0.513 355 M N 0.291 119.909 119.600 0.030 0.000 2.528 355 M HA 0.387 4.868 4.480 0.001 0.000 0.318 355 M C -0.668 175.756 176.300 0.207 0.000 1.195 355 M CA -1.018 54.365 55.300 0.139 0.000 1.000 355 M CB 2.295 34.994 32.600 0.165 0.000 1.615 355 M HN 0.121 nan 8.290 nan 0.000 0.469 356 L N 2.652 124.030 121.223 0.257 0.000 2.307 356 L HA 0.555 4.896 4.340 0.001 0.000 0.284 356 L C -1.467 175.622 176.870 0.364 0.000 1.023 356 L CA -0.960 54.044 54.840 0.273 0.000 0.810 356 L CB 1.326 43.500 42.059 0.192 0.000 1.231 356 L HN 0.597 nan 8.230 nan 0.000 0.423 357 L N 5.146 126.583 121.223 0.358 0.000 2.265 357 L HA 0.445 4.786 4.340 0.001 0.000 0.289 357 L C -0.463 176.557 176.870 0.249 0.000 1.033 357 L CA 0.227 55.216 54.840 0.248 0.000 0.814 357 L CB 1.148 43.315 42.059 0.180 0.000 1.203 357 L HN 0.602 nan 8.230 nan 0.000 0.423 358 E N 5.146 125.465 120.200 0.198 0.000 2.113 358 E HA 0.394 4.745 4.350 0.001 0.000 0.273 358 E C -1.850 174.791 176.600 0.068 0.000 0.924 358 E CA -0.317 56.179 56.400 0.160 0.000 0.764 358 E CB 1.696 31.513 29.700 0.194 0.000 1.104 358 E HN 0.513 nan 8.360 nan 0.000 0.406 359 V N 3.481 123.398 119.914 0.007 0.000 2.623 359 V HA 0.545 4.666 4.120 0.001 0.000 0.304 359 V C 0.408 176.373 176.094 -0.214 0.000 1.054 359 V CA 0.482 62.663 62.300 -0.198 0.000 0.882 359 V CB 1.265 32.842 31.823 -0.410 0.000 1.002 359 V HN 0.855 nan 8.190 nan 0.000 0.424 360 G N 4.472 113.195 108.800 -0.128 0.000 2.341 360 G HA2 0.045 4.005 3.960 0.001 0.000 0.292 360 G HA3 0.045 4.005 3.960 0.001 0.000 0.292 360 G C 1.505 176.527 174.900 0.204 0.000 1.021 360 G CA 1.162 46.349 45.100 0.145 0.000 0.905 360 G HN 2.688 nan 8.290 nan 0.000 0.508 361 G N -2.116 106.746 108.800 0.103 0.000 2.205 361 G HA2 -0.257 3.704 3.960 0.001 0.000 0.261 361 G HA3 -0.257 3.704 3.960 0.001 0.000 0.261 361 G C 0.549 175.456 174.900 0.011 0.000 0.980 361 G CA 0.750 45.896 45.100 0.077 0.000 0.632 361 G HN 1.285 nan 8.290 nan 0.000 0.533 362 L N 0.183 121.384 121.223 -0.037 0.000 2.416 362 L HA 0.722 5.063 4.340 0.001 0.000 0.262 362 L C 0.401 177.174 176.870 -0.161 0.000 1.093 362 L CA -0.661 54.072 54.840 -0.178 0.000 0.801 362 L CB 1.144 43.027 42.059 -0.294 0.000 1.191 362 L HN 0.198 nan 8.230 nan 0.000 0.459 363 E N 0.976 120.973 120.200 -0.338 0.000 2.256 363 E HA 0.379 4.729 4.350 0.001 0.000 0.268 363 E C -1.635 174.705 176.600 -0.432 0.000 0.877 363 E CA -0.416 55.854 56.400 -0.217 0.000 0.757 363 E CB 2.056 31.671 29.700 -0.142 0.000 1.183 363 E HN 0.239 nan 8.360 nan 0.000 0.418 364 F N 3.404 123.361 119.950 0.013 0.000 2.366 364 F HA 0.261 4.789 4.527 0.001 0.000 0.357 364 F C -1.514 174.349 175.800 0.105 0.000 1.107 364 F CA -2.114 55.919 58.000 0.055 0.000 1.208 364 F CB 1.157 40.186 39.000 0.048 0.000 1.464 364 F HN 0.340 nan 8.300 nan 0.000 0.501 365 P HA -0.073 nan 4.420 nan 0.000 0.229 365 P C 0.609 178.022 177.300 0.187 0.000 1.150 365 P CA 0.769 63.959 63.100 0.149 0.000 0.765 365 P CB 0.420 32.169 31.700 0.083 0.000 0.783 366 G N 0.246 109.213 108.800 0.279 0.000 3.114 366 G HA2 0.418 4.379 3.960 0.001 0.000 0.320 366 G HA3 0.418 4.379 3.960 0.001 0.000 0.320 366 G C -0.368 174.805 174.900 0.456 0.000 1.453 366 G CA -0.373 44.916 45.100 0.315 0.000 1.084 366 G HN 0.277 nan 8.290 nan 0.000 0.516 367 C N 1.527 121.019 119.300 0.320 0.000 3.482 367 C HA 0.503 4.964 4.460 0.001 0.000 0.208 367 C C -2.479 172.599 174.990 0.147 0.000 1.306 367 C CA -2.382 56.795 59.018 0.265 0.000 1.254 367 C CB 0.749 28.660 27.740 0.286 0.000 1.832 367 C HN 0.473 nan 8.230 nan 0.000 0.554 368 P HA 0.305 nan 4.420 nan 0.000 0.271 368 P C -0.524 176.695 177.300 -0.135 0.000 1.226 368 P CA 0.847 63.837 63.100 -0.183 0.000 0.765 368 P CB 0.478 32.077 31.700 -0.168 0.000 0.835 369 F N 1.412 121.271 119.950 -0.152 0.000 2.618 369 F HA 0.768 5.296 4.527 0.001 0.000 0.332 369 F C -0.422 175.291 175.800 -0.146 0.000 1.061 369 F CA -1.544 56.376 58.000 -0.133 0.000 0.974 369 F CB 1.294 40.085 39.000 -0.349 0.000 1.310 369 F HN 0.365 nan 8.300 nan 0.000 0.491 370 N N -0.860 117.947 118.700 0.179 0.000 2.405 370 N HA 0.739 5.480 4.740 0.001 0.000 0.274 370 N C -1.085 174.377 175.510 -0.079 0.000 1.170 370 N CA -0.531 52.551 53.050 0.053 0.000 0.848 370 N CB 2.045 40.631 38.487 0.166 0.000 1.629 370 N HN 1.135 nan 8.380 nan 0.000 0.481 371 G N -0.779 107.919 108.800 -0.169 0.000 3.135 371 G HA2 0.635 4.596 3.960 0.001 0.000 0.278 371 G HA3 0.635 4.596 3.960 0.001 0.000 0.278 371 G C -1.717 173.085 174.900 -0.164 0.000 1.302 371 G CA -0.932 43.967 45.100 -0.334 0.000 0.880 371 G HN 0.713 nan 8.290 nan 0.000 0.574 372 W N -1.509 119.787 121.300 -0.007 0.000 2.655 372 W HA 0.814 5.475 4.660 0.002 0.000 0.358 372 W C -1.121 175.384 176.519 -0.023 0.000 1.100 372 W CA -2.101 55.249 57.345 0.010 0.000 1.195 372 W CB 0.295 29.799 29.460 0.074 0.000 1.403 372 W HN 0.410 nan 8.180 nan 0.000 0.589 373 Y N 2.050 122.535 120.300 0.308 0.000 2.426 373 Y HA 0.225 4.775 4.550 0.001 0.000 0.344 373 Y C 0.722 176.674 175.900 0.088 0.000 1.256 373 Y CA -0.706 57.457 58.100 0.104 0.000 1.451 373 Y CB 0.844 39.270 38.460 -0.056 0.000 1.342 373 Y HN 0.390 nan 8.280 nan 0.000 0.600 374 M N 1.703 121.459 119.600 0.260 0.000 2.311 374 M HA 0.352 4.833 4.480 0.001 0.000 0.325 374 M C 1.027 177.303 176.300 -0.040 0.000 1.061 374 M CA -0.263 55.102 55.300 0.109 0.000 0.957 374 M CB 1.593 34.246 32.600 0.088 0.000 1.646 374 M HN 0.839 nan 8.290 nan 0.000 0.434 375 G N 1.837 110.579 108.800 -0.096 0.000 2.766 375 G HA2 -0.372 3.589 3.960 0.001 0.000 0.222 375 G HA3 -0.372 3.589 3.960 0.001 0.000 0.222 375 G C 1.090 175.848 174.900 -0.237 0.000 1.225 375 G CA 2.301 47.288 45.100 -0.188 0.000 0.784 375 G HN 0.893 nan 8.290 nan 0.000 0.631 376 T N -0.507 113.941 114.554 -0.177 0.000 2.802 376 T HA -0.145 4.205 4.350 0.001 0.000 0.269 376 T C 1.923 176.471 174.700 -0.253 0.000 1.062 376 T CA 1.892 63.849 62.100 -0.238 0.000 1.133 376 T CB -0.428 68.272 68.868 -0.281 0.000 0.852 376 T HN 0.607 nan 8.240 nan 0.000 0.485 377 E N 0.944 121.012 120.200 -0.220 0.000 2.058 377 E HA -0.087 4.263 4.350 0.001 0.000 0.194 377 E C 2.186 178.532 176.600 -0.424 0.000 0.997 377 E CA 1.613 57.892 56.400 -0.200 0.000 0.801 377 E CB -0.316 29.398 29.700 0.022 0.000 0.746 377 E HN 0.615 nan 8.360 nan 0.000 0.450 378 I N 0.149 120.298 120.570 -0.701 0.000 2.364 378 I HA -0.043 4.128 4.170 0.001 0.000 0.241 378 I C 2.594 178.123 176.117 -0.980 0.000 1.082 378 I CA 0.912 61.513 61.300 -1.165 0.000 1.401 378 I CB -0.528 36.614 38.000 -1.430 0.000 1.126 378 I HN 0.094 nan 8.210 nan 0.000 0.429 379 G N 0.508 108.954 108.800 -0.589 0.000 2.471 379 G HA2 -0.064 3.897 3.960 0.001 0.000 0.219 379 G HA3 -0.064 3.897 3.960 0.001 0.000 0.219 379 G C 1.487 176.319 174.900 -0.113 0.000 1.125 379 G CA 0.897 45.850 45.100 -0.244 0.000 0.775 379 G HN 0.249 nan 8.290 nan 0.000 0.548 380 V N -0.247 119.552 119.914 -0.193 0.000 2.721 380 V HA 0.136 4.256 4.120 0.001 0.000 0.236 380 V C 2.604 178.634 176.094 -0.107 0.000 1.116 380 V CA 0.432 62.658 62.300 -0.124 0.000 1.148 380 V CB -0.249 31.475 31.823 -0.166 0.000 0.886 380 V HN 0.048 nan 8.190 nan 0.000 0.490 381 R N 1.100 121.504 120.500 -0.161 0.000 2.060 381 R HA -0.043 4.297 4.340 0.001 0.000 0.225 381 R C 1.986 178.238 176.300 -0.080 0.000 1.155 381 R CA 1.701 57.733 56.100 -0.113 0.000 0.930 381 R CB -1.276 28.948 30.300 -0.126 0.000 0.829 381 R HN 0.480 nan 8.270 nan 0.000 0.433 382 D N 0.493 120.761 120.400 -0.220 0.000 2.116 382 D HA -0.172 4.468 4.640 0.001 0.000 0.193 382 D C 1.941 178.277 176.300 0.060 0.000 0.998 382 D CA 1.297 55.165 54.000 -0.220 0.000 0.836 382 D CB -0.225 40.017 40.800 -0.931 0.000 0.951 382 D HN 0.100 nan 8.370 nan 0.000 0.449 383 F N 0.320 120.175 119.950 -0.158 0.000 2.270 383 F HA 0.025 4.553 4.527 0.001 0.000 0.295 383 F C 2.486 178.328 175.800 0.069 0.000 1.087 383 F CA -0.264 57.728 58.000 -0.014 0.000 1.365 383 F CB -0.806 38.161 39.000 -0.055 0.000 1.056 383 F HN 0.031 nan 8.300 nan 0.000 0.506 384 C N -0.894 118.534 119.300 0.213 0.000 2.780 384 C HA 0.144 4.605 4.460 0.001 0.000 0.267 384 C C 0.464 175.507 174.990 0.089 0.000 1.266 384 C CA -0.639 58.459 59.018 0.133 0.000 1.709 384 C CB -0.844 26.941 27.740 0.075 0.000 1.975 384 C HN 0.091 nan 8.230 nan 0.000 0.582 385 D N 1.293 121.743 120.400 0.085 0.000 2.455 385 D HA 0.096 4.737 4.640 0.001 0.000 0.241 385 D C 1.446 177.794 176.300 0.080 0.000 1.138 385 D CA 0.202 54.239 54.000 0.061 0.000 0.877 385 D CB 1.026 41.861 40.800 0.059 0.000 1.187 385 D HN 0.185 nan 8.370 nan 0.000 0.451 386 V N 1.798 121.746 119.914 0.056 0.000 2.407 386 V HA -0.243 3.878 4.120 0.001 0.000 0.248 386 V C 1.849 177.978 176.094 0.058 0.000 1.055 386 V CA 1.413 63.748 62.300 0.058 0.000 1.049 386 V CB -0.906 30.944 31.823 0.044 0.000 0.662 386 V HN 0.644 nan 8.190 nan 0.000 0.455 387 Q N 0.113 119.946 119.800 0.055 0.000 2.415 387 Q HA 0.074 4.415 4.340 0.001 0.000 0.206 387 Q C 1.022 177.063 176.000 0.068 0.000 0.946 387 Q CA 0.302 56.137 55.803 0.053 0.000 0.951 387 Q CB 0.152 28.919 28.738 0.049 0.000 1.026 387 Q HN 0.603 nan 8.270 nan 0.000 0.510 388 R N -0.468 120.090 120.500 0.097 0.000 3.066 388 R HA 0.236 4.577 4.340 0.001 0.000 0.143 388 R C 1.222 177.602 176.300 0.133 0.000 1.187 388 R CA -0.521 55.669 56.100 0.150 0.000 0.722 388 R CB -1.051 29.396 30.300 0.246 0.000 1.366 388 R HN 0.051 nan 8.270 nan 0.000 0.421 389 Y N 1.688 122.109 120.300 0.202 0.000 2.571 389 Y HA -0.084 4.466 4.550 0.001 0.000 0.294 389 Y C 0.611 176.593 175.900 0.135 0.000 1.141 389 Y CA 0.868 59.087 58.100 0.199 0.000 1.308 389 Y CB -0.578 38.080 38.460 0.330 0.000 1.002 389 Y HN 0.542 nan 8.280 nan 0.000 0.551 390 N N 1.062 119.909 118.700 0.246 0.000 2.725 390 N HA -0.240 4.501 4.740 0.001 0.000 0.280 390 N C 0.421 176.022 175.510 0.152 0.000 1.017 390 N CA 0.798 53.946 53.050 0.163 0.000 0.813 390 N CB -1.049 37.504 38.487 0.109 0.000 0.931 390 N HN 0.651 nan 8.380 nan 0.000 0.570 391 I N -2.594 118.072 120.570 0.161 0.000 3.860 391 I HA 0.120 4.291 4.170 0.001 0.000 0.319 391 I C 1.643 177.840 176.117 0.133 0.000 1.279 391 I CA -0.414 60.952 61.300 0.111 0.000 1.220 391 I CB -0.097 37.919 38.000 0.026 0.000 1.027 391 I HN 0.220 nan 8.210 nan 0.000 0.428 392 L N 2.086 123.405 121.223 0.160 0.000 2.034 392 L HA -0.279 4.062 4.340 0.001 0.000 0.217 392 L C 2.490 179.558 176.870 0.331 0.000 1.077 392 L CA 2.281 57.241 54.840 0.199 0.000 0.769 392 L CB -0.884 41.241 42.059 0.111 0.000 0.890 392 L HN 0.536 nan 8.230 nan 0.000 0.435 393 E N -0.752 119.627 120.200 0.298 0.000 2.012 393 E HA -0.314 4.037 4.350 0.001 0.000 0.197 393 E C 2.153 178.829 176.600 0.127 0.000 1.007 393 E CA 1.738 58.307 56.400 0.281 0.000 0.816 393 E CB -0.303 29.496 29.700 0.166 0.000 0.762 393 E HN 0.626 nan 8.360 nan 0.000 0.451 394 E N -0.237 120.005 120.200 0.070 0.000 2.048 394 E HA -0.237 4.114 4.350 0.001 0.000 0.202 394 E C 2.150 178.738 176.600 -0.019 0.000 1.021 394 E CA 2.028 58.427 56.400 -0.002 0.000 0.825 394 E CB -0.031 29.666 29.700 -0.005 0.000 0.756 394 E HN 0.212 nan 8.360 nan 0.000 0.454 395 V N 0.616 120.575 119.914 0.076 0.000 2.324 395 V HA -0.263 3.858 4.120 0.001 0.000 0.250 395 V C 2.409 178.556 176.094 0.089 0.000 1.060 395 V CA 1.988 64.377 62.300 0.148 0.000 1.042 395 V CB -1.079 30.937 31.823 0.321 0.000 0.650 395 V HN 0.527 nan 8.190 nan 0.000 0.450 396 G N -0.952 107.954 108.800 0.177 0.000 2.443 396 G HA2 -0.231 3.730 3.960 0.001 0.000 0.219 396 G HA3 -0.231 3.730 3.960 0.001 0.000 0.219 396 G C 1.742 176.564 174.900 -0.129 0.000 1.131 396 G CA 0.638 45.836 45.100 0.163 0.000 0.775 396 G HN 0.406 nan 8.290 nan 0.000 0.547 397 R N 0.218 120.602 120.500 -0.194 0.000 2.062 397 R HA 0.046 4.387 4.340 0.001 0.000 0.229 397 R C 2.700 178.786 176.300 -0.357 0.000 1.128 397 R CA 0.812 56.755 56.100 -0.262 0.000 0.960 397 R CB -0.196 29.976 30.300 -0.214 0.000 0.855 397 R HN 0.231 nan 8.270 nan 0.000 0.432 398 R N -0.346 119.856 120.500 -0.496 0.000 2.193 398 R HA -0.036 4.305 4.340 0.001 0.000 0.229 398 R C 1.962 177.592 176.300 -1.118 0.000 1.110 398 R CA 1.222 56.765 56.100 -0.929 0.000 0.988 398 R CB -0.046 29.436 30.300 -1.363 0.000 0.871 398 R HN 0.263 nan 8.270 nan 0.000 0.458 399 M N -0.426 118.762 119.600 -0.688 0.000 2.561 399 M HA 0.126 4.607 4.480 0.001 0.000 0.238 399 M C 0.583 176.723 176.300 -0.266 0.000 1.131 399 M CA 0.369 55.417 55.300 -0.420 0.000 1.046 399 M CB 0.770 33.323 32.600 -0.077 0.000 1.532 399 M HN 0.349 nan 8.290 nan 0.000 0.497 400 G N 2.278 110.909 108.800 -0.282 0.000 2.323 400 G HA2 -0.236 3.724 3.960 0.001 0.000 0.292 400 G HA3 -0.236 3.724 3.960 0.001 0.000 0.292 400 G C -0.186 174.643 174.900 -0.118 0.000 1.040 400 G CA 0.005 44.991 45.100 -0.191 0.000 0.942 400 G HN 0.418 nan 8.290 nan 0.000 0.506 401 L N -1.204 119.946 121.223 -0.123 0.000 2.400 401 L HA 0.454 4.795 4.340 0.001 0.000 0.264 401 L C 0.984 177.753 176.870 -0.168 0.000 1.061 401 L CA -0.967 53.826 54.840 -0.078 0.000 0.799 401 L CB 0.761 42.840 42.059 0.032 0.000 1.240 401 L HN 0.164 nan 8.230 nan 0.000 0.461 402 E N 0.391 120.496 120.200 -0.159 0.000 1.999 402 E HA -0.012 4.339 4.350 0.001 0.000 0.296 402 E C 0.608 176.793 176.600 -0.691 0.000 1.187 402 E CA -0.081 56.125 56.400 -0.323 0.000 1.229 402 E CB -0.054 29.434 29.700 -0.354 0.000 1.131 402 E HN 0.604 nan 8.360 nan 0.000 0.478 403 T N -1.463 112.609 114.554 -0.803 0.000 3.320 403 T HA -0.117 4.234 4.350 0.001 0.000 0.258 403 T C 1.091 175.369 174.700 -0.703 0.000 1.176 403 T CA 0.540 61.706 62.100 -1.557 0.000 1.037 403 T CB -0.289 67.764 68.868 -1.358 0.000 0.958 403 T HN 0.501 nan 8.240 nan 0.000 0.545 404 H N -0.937 117.942 119.070 -0.318 0.000 2.755 404 H HA 0.403 4.959 4.556 0.001 0.000 0.273 404 H C 0.373 175.715 175.328 0.023 0.000 1.055 404 H CA -0.585 55.402 56.048 -0.102 0.000 1.191 404 H CB 0.316 30.019 29.762 -0.098 0.000 1.536 404 H HN 0.379 nan 8.280 nan 0.000 0.529 405 K N 1.961 122.150 120.400 -0.351 0.000 2.579 405 K HA 0.260 4.581 4.320 0.001 0.000 0.225 405 K C 0.564 177.241 176.600 0.129 0.000 0.992 405 K CA -0.375 55.847 56.287 -0.107 0.000 1.018 405 K CB 1.217 33.567 32.500 -0.250 0.000 1.249 405 K HN 0.027 nan 8.250 nan 0.000 0.489 406 L N 2.069 123.403 121.223 0.185 0.000 1.997 406 L HA -0.270 4.071 4.340 0.001 0.000 0.216 406 L C 2.193 179.108 176.870 0.076 0.000 1.074 406 L CA 2.013 56.944 54.840 0.151 0.000 0.763 406 L CB -0.477 41.630 42.059 0.079 0.000 0.890 406 L HN 0.780 nan 8.230 nan 0.000 0.434 407 A N -0.296 122.558 122.820 0.057 0.000 2.245 407 A HA -0.201 4.120 4.320 0.001 0.000 0.217 407 A C 2.301 179.911 177.584 0.043 0.000 1.171 407 A CA 1.787 53.847 52.037 0.037 0.000 0.688 407 A CB -0.577 18.444 19.000 0.034 0.000 0.781 407 A HN 0.614 nan 8.150 nan 0.000 0.479 408 S N -1.114 114.628 115.700 0.070 0.000 2.558 408 S HA 0.268 4.739 4.470 0.001 0.000 0.217 408 S C 0.764 175.422 174.600 0.097 0.000 0.975 408 S CA 0.413 58.659 58.200 0.076 0.000 0.912 408 S CB -0.589 62.650 63.200 0.064 0.000 0.776 408 S HN 0.807 nan 8.310 nan 0.000 0.526 409 L N 1.019 122.282 121.223 0.067 0.000 3.717 409 L HA -0.161 4.179 4.340 0.001 0.000 0.411 409 L C 1.529 178.408 176.870 0.015 0.000 1.233 409 L CA 0.648 55.482 54.840 -0.009 0.000 0.917 409 L CB -2.368 39.694 42.059 0.004 0.000 1.902 409 L HN 0.743 nan 8.230 nan 0.000 0.894 410 W N -0.132 121.163 121.300 -0.009 0.000 2.388 410 W HA -0.088 4.573 4.660 0.002 0.000 0.294 410 W C 1.719 178.257 176.519 0.031 0.000 1.212 410 W CA 1.153 58.503 57.345 0.007 0.000 1.271 410 W CB -0.703 28.745 29.460 -0.019 0.000 1.126 410 W HN 0.256 nan 8.180 nan 0.000 0.535 411 K N 1.116 120.930 120.400 -0.977 0.000 2.032 411 K HA -0.189 4.132 4.320 0.001 0.000 0.209 411 K C 1.523 177.942 176.600 -0.302 0.000 1.048 411 K CA 2.496 58.262 56.287 -0.868 0.000 0.927 411 K CB -0.381 31.535 32.500 -0.974 0.000 0.712 411 K HN 0.053 nan 8.250 nan 0.000 0.441 412 D N 0.515 120.788 120.400 -0.212 0.000 2.117 412 D HA -0.152 4.489 4.640 0.001 0.000 0.198 412 D C 2.003 178.306 176.300 0.005 0.000 0.982 412 D CA 1.000 54.950 54.000 -0.082 0.000 0.828 412 D CB -0.024 40.741 40.800 -0.059 0.000 0.967 412 D HN 0.174 nan 8.370 nan 0.000 0.464 413 Q N -0.105 119.723 119.800 0.047 0.000 2.084 413 Q HA -0.130 4.210 4.340 0.001 0.000 0.202 413 Q C 2.152 178.258 176.000 0.177 0.000 0.978 413 Q CA 1.493 57.371 55.803 0.124 0.000 0.844 413 Q CB -0.110 28.726 28.738 0.164 0.000 0.898 413 Q HN 0.318 nan 8.270 nan 0.000 0.426 414 A N -0.388 122.547 122.820 0.192 0.000 1.898 414 A HA -0.120 4.201 4.320 0.001 0.000 0.216 414 A C 2.192 179.903 177.584 0.212 0.000 1.181 414 A CA 1.246 53.439 52.037 0.261 0.000 0.620 414 A CB -0.578 18.604 19.000 0.303 0.000 0.819 414 A HN 0.260 nan 8.150 nan 0.000 0.442 415 V N -0.256 119.724 119.914 0.110 0.000 2.490 415 V HA -0.225 3.896 4.120 0.001 0.000 0.250 415 V C 2.543 178.693 176.094 0.093 0.000 1.061 415 V CA 1.875 64.225 62.300 0.083 0.000 1.064 415 V CB -0.724 31.100 31.823 0.002 0.000 0.670 415 V HN 0.378 nan 8.190 nan 0.000 0.461 416 V N -0.212 119.762 119.914 0.099 0.000 2.237 416 V HA -0.195 3.926 4.120 0.001 0.000 0.245 416 V C 2.624 178.787 176.094 0.116 0.000 1.046 416 V CA 1.895 64.254 62.300 0.098 0.000 1.007 416 V CB -0.625 31.257 31.823 0.099 0.000 0.638 416 V HN 0.522 nan 8.190 nan 0.000 0.445 417 E N 0.111 120.425 120.200 0.190 0.000 2.058 417 E HA -0.210 4.141 4.350 0.001 0.000 0.194 417 E C 2.155 178.858 176.600 0.171 0.000 0.997 417 E CA 1.529 58.081 56.400 0.253 0.000 0.801 417 E CB -0.521 29.430 29.700 0.419 0.000 0.746 417 E HN 0.564 nan 8.360 nan 0.000 0.450 418 I N 1.653 122.386 120.570 0.272 0.000 2.194 418 I HA -0.300 3.870 4.170 0.001 0.000 0.246 418 I C 1.997 178.199 176.117 0.141 0.000 1.093 418 I CA 1.100 62.593 61.300 0.321 0.000 1.355 418 I CB -0.340 37.886 38.000 0.376 0.000 1.046 418 I HN 0.094 nan 8.210 nan 0.000 0.413 419 N N 0.608 119.351 118.700 0.072 0.000 2.409 419 N HA -0.009 4.732 4.740 0.001 0.000 0.179 419 N C 1.846 177.328 175.510 -0.047 0.000 1.032 419 N CA 1.017 54.067 53.050 0.000 0.000 0.898 419 N CB 0.125 38.609 38.487 -0.005 0.000 0.971 419 N HN 0.398 nan 8.380 nan 0.000 0.441 420 I N 0.780 121.293 120.570 -0.094 0.000 2.617 420 I HA -0.115 4.055 4.170 0.001 0.000 0.256 420 I C 2.279 178.199 176.117 -0.329 0.000 1.167 420 I CA 0.359 61.542 61.300 -0.195 0.000 1.469 420 I CB -0.079 37.763 38.000 -0.263 0.000 1.098 420 I HN 0.010 nan 8.210 nan 0.000 0.436 421 A N 0.453 123.017 122.820 -0.427 0.000 1.897 421 A HA -0.099 4.222 4.320 0.001 0.000 0.215 421 A C 2.418 179.941 177.584 -0.102 0.000 1.181 421 A CA 1.267 53.009 52.037 -0.492 0.000 0.620 421 A CB -0.766 17.685 19.000 -0.915 0.000 0.821 421 A HN 0.192 nan 8.150 nan 0.000 0.443 422 V N -0.158 119.743 119.914 -0.022 0.000 2.261 422 V HA -0.237 3.884 4.120 0.001 0.000 0.246 422 V C 2.506 178.632 176.094 0.054 0.000 1.047 422 V CA 2.004 64.338 62.300 0.057 0.000 1.015 422 V CB -0.783 30.985 31.823 -0.092 0.000 0.642 422 V HN 0.487 nan 8.190 nan 0.000 0.446 423 L N -0.222 120.982 121.223 -0.032 0.000 2.083 423 L HA -0.186 4.155 4.340 0.001 0.000 0.209 423 L C 2.471 179.372 176.870 0.051 0.000 1.083 423 L CA 2.075 56.903 54.840 -0.019 0.000 0.752 423 L CB -1.178 40.862 42.059 -0.032 0.000 0.899 423 L HN 0.515 nan 8.230 nan 0.000 0.433 424 H N -1.007 118.018 119.070 -0.074 0.000 2.333 424 H HA -0.068 4.489 4.556 0.001 0.000 0.302 424 H C 2.091 177.410 175.328 -0.015 0.000 1.075 424 H CA 1.647 57.645 56.048 -0.084 0.000 1.348 424 H CB 0.361 30.003 29.762 -0.201 0.000 1.393 424 H HN 0.273 nan 8.280 nan 0.000 0.509 425 S N 0.417 116.165 115.700 0.081 0.000 2.356 425 S HA -0.119 4.351 4.470 0.001 0.000 0.223 425 S C 2.043 176.652 174.600 0.016 0.000 1.032 425 S CA 1.355 59.580 58.200 0.042 0.000 1.005 425 S CB -0.537 62.763 63.200 0.167 0.000 0.867 425 S HN 0.273 nan 8.310 nan 0.000 0.449 426 F N 1.940 121.854 119.950 -0.060 0.000 2.075 426 F HA -0.125 4.403 4.527 0.001 0.000 0.297 426 F C 2.724 178.478 175.800 -0.077 0.000 1.113 426 F CA 1.285 59.262 58.000 -0.039 0.000 1.218 426 F CB -0.818 38.176 39.000 -0.010 0.000 0.984 426 F HN 0.198 nan 8.300 nan 0.000 0.472 427 Q N -0.074 119.782 119.800 0.095 0.000 2.096 427 Q HA -0.269 4.072 4.340 0.001 0.000 0.204 427 Q C 2.248 178.192 176.000 -0.093 0.000 0.982 427 Q CA 1.897 57.690 55.803 -0.015 0.000 0.850 427 Q CB -0.298 28.414 28.738 -0.044 0.000 0.901 427 Q HN 0.367 nan 8.270 nan 0.000 0.422 428 K N 0.940 121.225 120.400 -0.192 0.000 2.009 428 K HA -0.198 4.123 4.320 0.001 0.000 0.210 428 K C 1.624 178.147 176.600 -0.127 0.000 1.049 428 K CA 1.440 57.598 56.287 -0.215 0.000 0.929 428 K CB 0.057 32.347 32.500 -0.349 0.000 0.714 428 K HN 0.171 nan 8.250 nan 0.000 0.440 429 Q N 0.616 120.345 119.800 -0.119 0.000 2.431 429 Q HA 0.028 4.368 4.340 0.001 0.000 0.210 429 Q C -0.648 175.306 176.000 -0.077 0.000 0.958 429 Q CA -0.117 55.626 55.803 -0.101 0.000 0.957 429 Q CB 0.071 28.727 28.738 -0.137 0.000 1.007 429 Q HN 0.338 nan 8.270 nan 0.000 0.511 430 N N 0.229 118.893 118.700 -0.059 0.000 2.696 430 N HA -0.149 4.592 4.740 0.001 0.000 0.256 430 N C -1.536 173.961 175.510 -0.021 0.000 1.031 430 N CA 0.598 53.625 53.050 -0.039 0.000 0.730 430 N CB -1.036 37.425 38.487 -0.042 0.000 0.894 430 N HN -0.004 nan 8.380 nan 0.000 0.544 431 V N 0.630 120.555 119.914 0.019 0.000 2.483 431 V HA 0.265 4.386 4.120 0.001 0.000 0.297 431 V C 0.747 176.957 176.094 0.193 0.000 1.027 431 V CA -0.807 61.545 62.300 0.086 0.000 0.855 431 V CB 2.109 33.947 31.823 0.025 0.000 0.995 431 V HN 0.219 nan 8.190 nan 0.000 0.424 432 T N 6.181 120.791 114.554 0.094 0.000 2.905 432 T HA 0.346 4.697 4.350 0.001 0.000 0.299 432 T C -0.245 174.512 174.700 0.096 0.000 1.024 432 T CA 1.065 63.144 62.100 -0.035 0.000 1.151 432 T CB 0.059 68.782 68.868 -0.242 0.000 0.987 432 T HN 0.589 nan 8.240 nan 0.000 0.535 433 I N 2.494 123.046 120.570 -0.030 0.000 2.908 433 I HA 0.589 4.760 4.170 0.001 0.000 0.300 433 I C -1.546 174.568 176.117 -0.004 0.000 1.385 433 I CA -1.169 60.131 61.300 0.000 0.000 1.004 433 I CB 2.139 40.034 38.000 -0.175 0.000 1.309 433 I HN 0.620 nan 8.210 nan 0.000 0.449 434 M N 5.248 124.912 119.600 0.106 0.000 2.465 434 M HA 0.419 4.899 4.480 0.001 0.000 0.316 434 M C -1.561 174.781 176.300 0.070 0.000 1.121 434 M CA -0.145 55.233 55.300 0.130 0.000 0.934 434 M CB 1.586 34.373 32.600 0.312 0.000 1.692 434 M HN 0.529 nan 8.290 nan 0.000 0.444 435 D N 1.344 121.772 120.400 0.047 0.000 2.277 435 D HA 0.212 4.853 4.640 0.001 0.000 0.250 435 D C 0.970 177.277 176.300 0.011 0.000 1.032 435 D CA -0.326 53.689 54.000 0.025 0.000 0.947 435 D CB 0.540 41.331 40.800 -0.014 0.000 1.159 435 D HN 0.732 nan 8.370 nan 0.000 0.460 436 H N 0.607 119.603 119.070 -0.123 0.000 2.457 436 H HA -0.166 4.391 4.556 0.001 0.000 0.297 436 H C 0.795 176.015 175.328 -0.180 0.000 1.092 436 H CA 1.359 57.297 56.048 -0.184 0.000 1.309 436 H CB -0.521 29.071 29.762 -0.284 0.000 1.382 436 H HN 0.535 nan 8.280 nan 0.000 0.535 437 H N 1.021 119.915 119.070 -0.293 0.000 2.333 437 H HA 0.038 4.595 4.556 0.001 0.000 0.302 437 H C 2.396 177.705 175.328 -0.032 0.000 1.075 437 H CA 1.370 57.319 56.048 -0.165 0.000 1.348 437 H CB 0.052 29.669 29.762 -0.241 0.000 1.393 437 H HN 0.344 nan 8.280 nan 0.000 0.509 438 S N 0.838 116.595 115.700 0.095 0.000 2.368 438 S HA -0.083 4.388 4.470 0.001 0.000 0.224 438 S C 2.458 177.132 174.600 0.124 0.000 1.029 438 S CA 0.856 59.114 58.200 0.096 0.000 0.988 438 S CB -0.255 62.990 63.200 0.074 0.000 0.838 438 S HN 0.512 nan 8.310 nan 0.000 0.462 439 A N 1.751 124.645 122.820 0.123 0.000 1.902 439 A HA 0.108 4.428 4.320 0.001 0.000 0.217 439 A C 2.346 180.038 177.584 0.179 0.000 1.181 439 A CA 1.701 53.831 52.037 0.155 0.000 0.623 439 A CB -1.126 17.953 19.000 0.132 0.000 0.818 439 A HN 0.503 nan 8.150 nan 0.000 0.443 440 A N -0.339 122.572 122.820 0.151 0.000 1.851 440 A HA -0.227 4.094 4.320 0.001 0.000 0.216 440 A C 2.020 179.752 177.584 0.247 0.000 1.195 440 A CA 1.894 54.046 52.037 0.192 0.000 0.622 440 A CB -0.806 18.287 19.000 0.154 0.000 0.831 440 A HN 0.635 nan 8.150 nan 0.000 0.444 441 E N 0.158 120.471 120.200 0.188 0.000 2.086 441 E HA -0.279 4.072 4.350 0.001 0.000 0.205 441 E C 2.299 179.005 176.600 0.177 0.000 1.027 441 E CA 2.300 58.799 56.400 0.164 0.000 0.830 441 E CB -0.182 29.592 29.700 0.123 0.000 0.751 441 E HN 0.762 nan 8.360 nan 0.000 0.456 442 S N 0.099 115.911 115.700 0.187 0.000 2.359 442 S HA -0.228 4.243 4.470 0.001 0.000 0.224 442 S C 1.954 176.697 174.600 0.240 0.000 1.035 442 S CA 1.272 59.587 58.200 0.191 0.000 1.018 442 S CB -0.883 62.434 63.200 0.194 0.000 0.876 442 S HN 0.444 nan 8.310 nan 0.000 0.448 443 F N 2.301 122.349 119.950 0.162 0.000 2.202 443 F HA -0.049 4.479 4.527 0.001 0.000 0.301 443 F C 2.243 178.200 175.800 0.261 0.000 1.082 443 F CA 1.384 59.512 58.000 0.214 0.000 1.313 443 F CB -0.385 38.714 39.000 0.165 0.000 1.024 443 F HN 0.111 nan 8.300 nan 0.000 0.495 444 M N 0.223 119.901 119.600 0.130 0.000 2.117 444 M HA -0.187 4.294 4.480 0.001 0.000 0.262 444 M C 2.268 178.580 176.300 0.020 0.000 1.065 444 M CA 1.570 56.907 55.300 0.061 0.000 1.114 444 M CB -1.341 31.347 32.600 0.147 0.000 1.361 444 M HN 0.182 nan 8.290 nan 0.000 0.408 445 K N -0.557 119.880 120.400 0.062 0.000 2.025 445 K HA -0.218 4.103 4.320 0.001 0.000 0.207 445 K C 2.173 178.787 176.600 0.023 0.000 1.049 445 K CA 1.341 57.663 56.287 0.060 0.000 0.933 445 K CB -0.341 32.209 32.500 0.083 0.000 0.714 445 K HN 0.221 nan 8.250 nan 0.000 0.438 446 Y N 1.166 121.408 120.300 -0.097 0.000 2.097 446 Y HA -0.268 4.283 4.550 0.001 0.000 0.282 446 Y C 2.190 177.956 175.900 -0.224 0.000 1.152 446 Y CA 2.227 60.251 58.100 -0.126 0.000 1.136 446 Y CB -0.405 37.982 38.460 -0.122 0.000 0.975 446 Y HN 0.073 nan 8.280 nan 0.000 0.498 447 M N 0.133 119.386 119.600 -0.580 0.000 2.195 447 M HA -0.313 4.168 4.480 0.001 0.000 0.260 447 M C 2.360 178.431 176.300 -0.380 0.000 1.066 447 M CA 2.209 57.158 55.300 -0.586 0.000 1.089 447 M CB -0.232 32.119 32.600 -0.415 0.000 1.377 447 M HN 0.559 nan 8.290 nan 0.000 0.411 448 Q N -0.101 119.590 119.800 -0.182 0.000 2.083 448 Q HA -0.163 4.178 4.340 0.001 0.000 0.198 448 Q C 1.479 177.381 176.000 -0.163 0.000 0.969 448 Q CA 1.570 57.334 55.803 -0.065 0.000 0.838 448 Q CB 0.086 28.905 28.738 0.135 0.000 0.900 448 Q HN 0.616 nan 8.270 nan 0.000 0.436 449 N N 0.564 119.152 118.700 -0.186 0.000 2.188 449 N HA -0.144 4.597 4.740 0.001 0.000 0.184 449 N C 1.465 176.818 175.510 -0.260 0.000 1.018 449 N CA 0.918 53.875 53.050 -0.155 0.000 0.858 449 N CB -0.194 38.245 38.487 -0.079 0.000 0.989 449 N HN 0.263 nan 8.380 nan 0.000 0.426 450 E N 0.378 120.291 120.200 -0.479 0.000 2.118 450 E HA -0.143 4.208 4.350 0.001 0.000 0.195 450 E C 1.683 177.937 176.600 -0.576 0.000 0.992 450 E CA 0.854 56.903 56.400 -0.585 0.000 0.804 450 E CB -0.265 28.920 29.700 -0.858 0.000 0.741 450 E HN 0.515 nan 8.360 nan 0.000 0.458 451 Y N 0.707 120.703 120.300 -0.506 0.000 2.243 451 Y HA -0.040 4.511 4.550 0.001 0.000 0.293 451 Y C 2.592 178.333 175.900 -0.265 0.000 1.124 451 Y CA 1.093 58.918 58.100 -0.457 0.000 1.159 451 Y CB -0.009 37.947 38.460 -0.840 0.000 1.008 451 Y HN -0.057 nan 8.280 nan 0.000 0.527 452 R N -1.008 119.431 120.500 -0.101 0.000 2.081 452 R HA -0.157 4.184 4.340 0.001 0.000 0.235 452 R C 2.571 178.825 176.300 -0.077 0.000 1.131 452 R CA 1.489 57.557 56.100 -0.053 0.000 0.960 452 R CB -0.538 29.743 30.300 -0.032 0.000 0.856 452 R HN 0.167 nan 8.270 nan 0.000 0.436 453 S N 0.632 116.261 115.700 -0.119 0.000 2.335 453 S HA -0.097 4.374 4.470 0.001 0.000 0.217 453 S C 1.748 176.274 174.600 -0.123 0.000 1.032 453 S CA 1.084 59.221 58.200 -0.105 0.000 0.985 453 S CB 0.112 63.251 63.200 -0.102 0.000 0.896 453 S HN 0.413 nan 8.310 nan 0.000 0.445 454 R N -0.571 119.812 120.500 -0.194 0.000 2.476 454 R HA 0.389 4.730 4.340 0.001 0.000 0.276 454 R C 1.084 177.272 176.300 -0.187 0.000 0.941 454 R CA 0.596 56.591 56.100 -0.176 0.000 1.088 454 R CB -0.229 29.955 30.300 -0.193 0.000 1.216 454 R HN 0.447 nan 8.270 nan 0.000 0.533 455 G N 0.307 108.972 108.800 -0.225 0.000 2.176 455 G HA2 -0.145 3.816 3.960 0.001 0.000 0.252 455 G HA3 -0.145 3.816 3.960 0.001 0.000 0.252 455 G C 0.182 174.905 174.900 -0.294 0.000 1.024 455 G CA 0.115 45.115 45.100 -0.167 0.000 0.755 455 G HN 0.895 nan 8.290 nan 0.000 0.507 456 G N -2.447 105.909 108.800 -0.741 0.000 2.377 456 G HA2 0.566 4.527 3.960 0.001 0.000 0.297 456 G HA3 0.566 4.527 3.960 0.001 0.000 0.297 456 G C -0.798 173.606 174.900 -0.827 0.000 1.547 456 G CA 0.277 44.877 45.100 -0.833 0.000 0.833 456 G HN 1.886 nan 8.290 nan 0.000 0.583 457 C N 2.965 121.924 119.300 -0.568 0.000 3.027 457 C HA 0.676 5.137 4.460 0.001 0.000 0.350 457 C C -2.539 172.360 174.990 -0.152 0.000 1.042 457 C CA -1.421 57.396 59.018 -0.335 0.000 1.350 457 C CB 0.752 28.261 27.740 -0.385 0.000 1.809 457 C HN 0.669 nan 8.230 nan 0.000 0.513 458 P HA 0.396 nan 4.420 nan 0.000 0.268 458 P C -0.503 176.694 177.300 -0.171 0.000 1.204 458 P CA 0.693 63.393 63.100 -0.667 0.000 0.768 458 P CB 1.114 32.251 31.700 -0.938 0.000 0.842 459 A N 2.323 125.103 122.820 -0.068 0.000 2.488 459 A HA 0.384 4.705 4.320 0.001 0.000 0.298 459 A C -1.076 176.568 177.584 0.100 0.000 1.044 459 A CA -0.547 51.551 52.037 0.102 0.000 0.693 459 A CB 1.292 20.481 19.000 0.315 0.000 1.272 459 A HN 0.449 nan 8.150 nan 0.000 0.402 460 D N 2.061 122.513 120.400 0.087 0.000 2.485 460 D HA 0.135 4.776 4.640 0.001 0.000 0.221 460 D C 0.885 177.328 176.300 0.239 0.000 1.112 460 D CA -0.446 53.638 54.000 0.141 0.000 0.911 460 D CB 0.322 41.154 40.800 0.054 0.000 1.019 460 D HN 0.619 nan 8.370 nan 0.000 0.516 461 W N 4.480 125.829 121.300 0.082 0.000 2.290 461 W HA -0.312 4.350 4.660 0.002 0.000 0.328 461 W C 1.863 178.429 176.519 0.078 0.000 1.272 461 W CA 1.590 58.974 57.345 0.065 0.000 1.262 461 W CB -0.244 29.234 29.460 0.031 0.000 1.151 461 W HN 0.469 nan 8.180 nan 0.000 0.473 462 I N -1.041 119.861 120.570 0.555 0.000 2.229 462 I HA -0.366 3.805 4.170 0.001 0.000 0.250 462 I C 1.893 178.119 176.117 0.183 0.000 1.096 462 I CA 1.953 63.500 61.300 0.411 0.000 1.358 462 I CB -0.704 37.549 38.000 0.421 0.000 1.047 462 I HN 0.164 nan 8.210 nan 0.000 0.422 463 W N 0.008 121.297 121.300 -0.018 0.000 2.704 463 W HA 0.123 4.784 4.660 0.001 0.000 0.266 463 W C 2.249 178.666 176.519 -0.170 0.000 1.266 463 W CA 0.269 57.572 57.345 -0.070 0.000 1.377 463 W CB -0.352 29.091 29.460 -0.030 0.000 1.082 463 W HN -0.024 nan 8.180 nan 0.000 0.608 464 L N -0.297 120.901 121.223 -0.043 0.000 2.240 464 L HA -0.017 4.324 4.340 0.001 0.000 0.211 464 L C 0.703 177.383 176.870 -0.317 0.000 1.106 464 L CA 0.314 55.006 54.840 -0.246 0.000 0.793 464 L CB -0.981 40.854 42.059 -0.373 0.000 0.927 464 L HN -0.398 nan 8.230 nan 0.000 0.446 465 V N 1.540 121.175 119.914 -0.464 0.000 2.479 465 V HA 0.105 4.225 4.120 0.001 0.000 0.281 465 V C -1.811 174.112 176.094 -0.285 0.000 1.031 465 V CA -1.279 60.731 62.300 -0.483 0.000 1.038 465 V CB 0.320 31.580 31.823 -0.939 0.000 0.981 465 V HN 0.038 nan 8.190 nan 0.000 0.478 466 P HA 0.084 nan 4.420 nan 0.000 0.268 466 P C -1.795 175.390 177.300 -0.192 0.000 1.208 466 P CA -0.920 62.073 63.100 -0.179 0.000 0.777 466 P CB 0.044 31.654 31.700 -0.150 0.000 0.875 467 P HA -0.009 nan 4.420 nan 0.000 0.242 467 P C 0.026 177.223 177.300 -0.172 0.000 1.197 467 P CA 1.203 64.192 63.100 -0.184 0.000 0.765 467 P CB 0.041 31.626 31.700 -0.192 0.000 0.936 468 M N -4.850 114.615 119.600 -0.224 0.000 2.470 468 M HA 0.524 5.004 4.480 0.001 0.000 0.285 468 M C -0.375 175.821 176.300 -0.173 0.000 1.213 468 M CA -0.599 54.581 55.300 -0.200 0.000 0.901 468 M CB 2.034 34.480 32.600 -0.256 0.000 1.718 468 M HN -0.363 nan 8.290 nan 0.000 0.469 469 S N 0.960 116.629 115.700 -0.052 0.000 3.635 469 S HA -0.166 4.304 4.470 0.001 0.000 0.328 469 S C 1.111 175.735 174.600 0.040 0.000 1.135 469 S CA 0.975 59.200 58.200 0.042 0.000 0.942 469 S CB -1.784 61.528 63.200 0.187 0.000 0.930 469 S HN 1.277 nan 8.310 nan 0.000 0.512 470 G N 2.222 111.032 108.800 0.016 0.000 2.719 470 G HA2 -0.357 3.603 3.960 0.001 0.000 0.219 470 G HA3 -0.357 3.603 3.960 0.001 0.000 0.219 470 G C 1.345 176.267 174.900 0.037 0.000 1.234 470 G CA 1.641 46.794 45.100 0.088 0.000 0.788 470 G HN 1.401 nan 8.290 nan 0.000 0.619 471 S N 0.070 115.533 115.700 -0.394 0.000 2.660 471 S HA 0.166 4.637 4.470 0.001 0.000 0.228 471 S C 1.643 176.196 174.600 -0.080 0.000 0.966 471 S CA 0.239 57.971 58.200 -0.780 0.000 0.940 471 S CB 0.036 62.450 63.200 -1.310 0.000 0.773 471 S HN 0.199 nan 8.310 nan 0.000 0.535 472 I N 2.615 123.200 120.570 0.025 0.000 3.793 472 I HA 0.128 4.299 4.170 0.001 0.000 0.315 472 I C 1.053 177.281 176.117 0.185 0.000 1.275 472 I CA 0.334 61.699 61.300 0.109 0.000 1.214 472 I CB -1.371 36.724 38.000 0.159 0.000 1.018 472 I HN 0.463 nan 8.210 nan 0.000 0.439 473 T N -1.149 113.530 114.554 0.209 0.000 2.823 473 T HA 0.403 4.753 4.350 0.001 0.000 0.279 473 T C -1.578 173.310 174.700 0.313 0.000 0.998 473 T CA -1.843 60.397 62.100 0.233 0.000 0.994 473 T CB 2.567 71.544 68.868 0.182 0.000 0.960 473 T HN -0.124 nan 8.240 nan 0.000 0.448 474 P HA -0.111 nan 4.420 nan 0.000 0.221 474 P C 1.742 179.275 177.300 0.387 0.000 1.145 474 P CA 0.960 64.246 63.100 0.309 0.000 0.795 474 P CB -0.257 31.567 31.700 0.206 0.000 0.775 475 V N -3.772 116.338 119.914 0.327 0.000 2.515 475 V HA -0.175 3.946 4.120 0.001 0.000 0.250 475 V C 2.316 178.573 176.094 0.270 0.000 1.058 475 V CA 1.186 63.655 62.300 0.281 0.000 1.064 475 V CB -2.173 29.729 31.823 0.132 0.000 0.675 475 V HN -0.106 nan 8.190 nan 0.000 0.461 476 F N 2.500 122.525 119.950 0.125 0.000 2.202 476 F HA -0.124 4.404 4.527 0.002 0.000 0.301 476 F C 1.958 177.945 175.800 0.312 0.000 1.082 476 F CA 2.238 60.330 58.000 0.153 0.000 1.313 476 F CB -0.422 38.606 39.000 0.047 0.000 1.024 476 F HN 0.354 nan 8.300 nan 0.000 0.495 477 H N -1.543 117.929 119.070 0.671 0.000 2.529 477 H HA 0.220 4.776 4.556 0.001 0.000 0.277 477 H C 0.118 175.708 175.328 0.436 0.000 1.004 477 H CA 0.033 56.423 56.048 0.570 0.000 1.167 477 H CB -0.106 29.939 29.762 0.471 0.000 1.445 477 H HN 0.080 nan 8.280 nan 0.000 0.554 478 Q N 1.971 122.070 119.800 0.498 0.000 2.360 478 Q HA 0.161 4.502 4.340 0.001 0.000 0.254 478 Q C -0.592 175.645 176.000 0.395 0.000 0.975 478 Q CA -0.312 55.716 55.803 0.375 0.000 0.912 478 Q CB 0.401 29.363 28.738 0.373 0.000 1.212 478 Q HN 0.386 nan 8.270 nan 0.000 0.452 479 E N 3.673 124.028 120.200 0.259 0.000 2.390 479 E HA 0.455 4.806 4.350 0.001 0.000 0.261 479 E C -0.205 176.534 176.600 0.232 0.000 1.076 479 E CA 0.069 56.594 56.400 0.208 0.000 0.905 479 E CB 0.742 30.535 29.700 0.155 0.000 0.984 479 E HN 0.673 nan 8.360 nan 0.000 0.427 480 M N 0.100 119.832 119.600 0.221 0.000 2.682 480 M HA 0.434 4.915 4.480 0.001 0.000 0.272 480 M C -1.830 174.587 176.300 0.195 0.000 1.232 480 M CA -1.102 54.348 55.300 0.250 0.000 0.849 480 M CB 0.982 33.781 32.600 0.332 0.000 1.695 480 M HN 0.124 nan 8.290 nan 0.000 0.481 481 L N 1.920 123.271 121.223 0.213 0.000 2.329 481 L HA 0.584 4.925 4.340 0.001 0.000 0.279 481 L C -0.637 176.320 176.870 0.144 0.000 1.014 481 L CA -0.166 54.799 54.840 0.209 0.000 0.814 481 L CB 1.597 43.827 42.059 0.285 0.000 1.257 481 L HN 0.705 nan 8.230 nan 0.000 0.424 482 N N 2.029 120.810 118.700 0.134 0.000 2.408 482 N HA 0.643 5.384 4.740 0.001 0.000 0.280 482 N C -1.611 173.968 175.510 0.116 0.000 1.002 482 N CA -0.264 52.797 53.050 0.018 0.000 0.907 482 N CB 0.785 39.303 38.487 0.052 0.000 1.161 482 N HN 0.446 nan 8.380 nan 0.000 0.488 483 Y N -0.395 119.922 120.300 0.030 0.000 2.592 483 Y HA 0.563 5.114 4.550 0.001 0.000 0.334 483 Y C -1.457 174.394 175.900 -0.081 0.000 1.136 483 Y CA -1.357 56.733 58.100 -0.017 0.000 1.042 483 Y CB 0.489 38.955 38.460 0.011 0.000 1.325 483 Y HN 0.033 nan 8.280 nan 0.000 0.457 484 V N 4.008 123.912 119.914 -0.017 0.000 2.439 484 V HA 0.524 4.645 4.120 0.001 0.000 0.282 484 V C 0.046 176.031 176.094 -0.181 0.000 1.039 484 V CA -0.421 61.652 62.300 -0.378 0.000 0.913 484 V CB 0.857 32.264 31.823 -0.693 0.000 0.983 484 V HN 0.775 nan 8.190 nan 0.000 0.460 485 L N 2.660 123.799 121.223 -0.141 0.000 2.305 485 L HA 0.792 5.133 4.340 0.001 0.000 0.261 485 L C -0.010 176.884 176.870 0.041 0.000 1.100 485 L CA -0.650 54.199 54.840 0.016 0.000 1.073 485 L CB 1.856 43.974 42.059 0.098 0.000 1.656 485 L HN 0.608 nan 8.230 nan 0.000 0.536 486 S N -0.581 115.173 115.700 0.090 0.000 2.548 486 S HA 0.591 5.061 4.470 0.001 0.000 0.276 486 S C -2.765 171.902 174.600 0.111 0.000 1.129 486 S CA -1.129 57.146 58.200 0.124 0.000 0.931 486 S CB 1.922 65.205 63.200 0.138 0.000 1.068 486 S HN 0.160 nan 8.310 nan 0.000 0.480 487 P HA 0.408 nan 4.420 nan 0.000 0.270 487 P C -1.300 175.988 177.300 -0.020 0.000 1.223 487 P CA -0.084 62.997 63.100 -0.032 0.000 0.785 487 P CB 0.222 31.810 31.700 -0.188 0.000 0.923 488 F N 0.977 120.784 119.950 -0.239 0.000 2.645 488 F HA 0.470 4.998 4.527 0.002 0.000 0.310 488 F C -1.512 174.049 175.800 -0.400 0.000 1.102 488 F CA -0.800 56.984 58.000 -0.360 0.000 0.952 488 F CB 1.322 40.083 39.000 -0.399 0.000 1.326 488 F HN 0.167 nan 8.300 nan 0.000 0.456 489 Y N 4.130 123.945 120.300 -0.809 0.000 2.417 489 Y HA 0.440 4.991 4.550 0.001 0.000 0.336 489 Y C -0.950 174.660 175.900 -0.483 0.000 0.961 489 Y CA -0.759 57.080 58.100 -0.434 0.000 1.215 489 Y CB 0.308 38.489 38.460 -0.466 0.000 1.120 489 Y HN 0.353 nan 8.280 nan 0.000 0.499 490 Y N 1.069 121.418 120.300 0.082 0.000 2.458 490 Y HA 0.372 4.923 4.550 0.001 0.000 0.322 490 Y C -0.085 175.831 175.900 0.027 0.000 1.259 490 Y CA -1.188 56.965 58.100 0.088 0.000 1.302 490 Y CB 0.579 39.146 38.460 0.179 0.000 1.314 490 Y HN 0.405 nan 8.280 nan 0.000 0.509 491 Y N 0.256 120.706 120.300 0.251 0.000 2.340 491 Y HA 0.404 4.954 4.550 0.001 0.000 0.327 491 Y C -0.026 175.932 175.900 0.097 0.000 1.321 491 Y CA -1.027 57.144 58.100 0.119 0.000 1.433 491 Y CB 0.619 39.122 38.460 0.072 0.000 1.373 491 Y HN 0.408 nan 8.280 nan 0.000 0.538 492 Q N -0.475 119.451 119.800 0.209 0.000 2.416 492 Q HA 0.449 4.790 4.340 0.001 0.000 0.281 492 Q C -1.594 174.364 176.000 -0.070 0.000 1.067 492 Q CA -1.131 54.700 55.803 0.047 0.000 0.809 492 Q CB 2.856 31.593 28.738 -0.001 0.000 1.418 492 Q HN 0.326 nan 8.270 nan 0.000 0.411 493 V N 2.157 121.997 119.914 -0.124 0.000 2.529 493 V HA -0.043 4.077 4.120 0.001 0.000 0.292 493 V C 0.226 176.092 176.094 -0.380 0.000 1.028 493 V CA 0.239 62.412 62.300 -0.212 0.000 1.074 493 V CB 0.082 31.793 31.823 -0.186 0.000 0.958 493 V HN 0.673 nan 8.190 nan 0.000 0.481 494 E N 3.681 123.570 120.200 -0.518 0.000 2.820 494 E HA -0.053 4.298 4.350 0.001 0.000 0.251 494 E C 1.397 177.344 176.600 -1.088 0.000 0.944 494 E CA 0.404 56.241 56.400 -0.938 0.000 0.955 494 E CB 0.388 29.326 29.700 -1.271 0.000 0.904 494 E HN 0.825 nan 8.360 nan 0.000 0.513 495 A N 4.808 126.969 122.820 -1.098 0.000 1.915 495 A HA -0.228 4.093 4.320 0.001 0.000 0.220 495 A C 1.698 178.649 177.584 -1.054 0.000 1.198 495 A CA 2.089 53.425 52.037 -1.168 0.000 0.647 495 A CB -1.011 16.860 19.000 -1.881 0.000 0.825 495 A HN 0.947 nan 8.150 nan 0.000 0.456 496 W N 0.025 120.828 121.300 -0.829 0.000 2.747 496 W HA 0.068 4.729 4.660 0.002 0.000 0.244 496 W C 1.307 177.803 176.519 -0.037 0.000 1.270 496 W CA 0.805 57.986 57.345 -0.273 0.000 1.333 496 W CB -0.181 29.337 29.460 0.096 0.000 1.139 496 W HN 0.230 nan 8.180 nan 0.000 0.662 497 K N 0.332 120.562 120.400 -0.283 0.000 2.128 497 K HA -0.010 4.311 4.320 0.001 0.000 0.202 497 K C 2.193 178.756 176.600 -0.061 0.000 1.050 497 K CA 1.784 58.007 56.287 -0.107 0.000 0.966 497 K CB -0.467 31.891 32.500 -0.238 0.000 0.759 497 K HN 0.294 nan 8.250 nan 0.000 0.454 498 T N -1.817 112.649 114.554 -0.146 0.000 3.009 498 T HA -0.045 4.306 4.350 0.001 0.000 0.258 498 T C 0.954 175.619 174.700 -0.059 0.000 1.063 498 T CA 0.065 62.104 62.100 -0.100 0.000 1.139 498 T CB -0.446 68.338 68.868 -0.141 0.000 0.890 498 T HN 0.109 nan 8.240 nan 0.000 0.471 499 H N 0.839 119.807 119.070 -0.170 0.000 3.058 499 H HA 0.349 4.906 4.556 0.001 0.000 0.347 499 H C -0.857 174.419 175.328 -0.087 0.000 1.087 499 H CA 0.433 56.386 56.048 -0.158 0.000 1.375 499 H CB 0.306 29.954 29.762 -0.190 0.000 1.312 499 H HN 0.104 nan 8.280 nan 0.000 0.607 500 V N 5.517 124.916 119.914 -0.858 0.000 2.447 500 V HA 0.096 4.217 4.120 0.001 0.000 0.292 500 V C -0.886 174.850 176.094 -0.596 0.000 1.021 500 V CA -0.770 61.269 62.300 -0.435 0.000 0.850 500 V CB 0.627 32.303 31.823 -0.245 0.000 1.005 500 V HN 0.739 nan 8.190 nan 0.000 0.426 501 W N 2.964 124.182 121.300 -0.135 0.000 2.190 501 W HA 0.365 5.026 4.660 0.001 0.000 0.330 501 W C 0.966 177.474 176.519 -0.017 0.000 1.299 501 W CA -0.339 57.014 57.345 0.013 0.000 1.215 501 W CB 0.350 29.873 29.460 0.106 0.000 1.147 501 W HN 0.533 nan 8.180 nan 0.000 0.563 502 Q N 2.192 122.120 119.800 0.213 0.000 3.170 502 Q HA 0.305 4.645 4.340 0.001 0.000 0.346 502 Q C 0.179 176.260 176.000 0.135 0.000 1.333 502 Q CA 0.099 55.972 55.803 0.116 0.000 0.958 502 Q CB -0.415 28.364 28.738 0.068 0.000 1.600 502 Q HN 0.633 nan 8.270 nan 0.000 0.482 503 D N 0.000 120.488 120.400 0.147 0.000 6.856 503 D HA 0.000 4.641 4.640 0.001 0.000 0.175 503 D CA 0.000 54.058 54.000 0.096 0.000 0.868 503 D CB 0.000 40.857 40.800 0.095 0.000 0.688 503 D HN 0.000 nan 8.370 nan 0.000 0.683