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 3e7g_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 NVEFTQLCID LGWKPKYGRF DVVPLVLQAN 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 0.000 176.516 176.300 0.359 0.000 0.893 83 R CA 0.000 56.193 56.100 0.155 0.000 0.921 83 R CB 0.000 30.312 30.300 0.020 0.000 0.687 84 H N -2.209 117.042 119.070 0.301 0.000 2.877 84 H HA 0.502 5.059 4.556 0.002 0.000 0.273 84 H C -1.517 173.899 175.328 0.147 0.000 1.195 84 H CA -0.183 56.045 56.048 0.300 0.000 1.726 84 H CB 0.027 29.913 29.762 0.207 0.000 2.015 84 H HN 0.476 nan 8.280 nan 0.000 0.493 85 V N 3.362 123.361 119.914 0.141 0.000 2.567 85 V HA 0.469 4.589 4.120 0.001 0.000 0.289 85 V C 0.725 176.909 176.094 0.150 0.000 1.049 85 V CA -0.501 61.793 62.300 -0.010 0.000 0.969 85 V CB 1.284 32.980 31.823 -0.211 0.000 0.995 85 V HN 0.866 nan 8.190 nan 0.000 0.471 86 R N 5.107 125.658 120.500 0.085 0.000 2.393 86 R HA 0.736 5.077 4.340 0.001 0.000 0.310 86 R C -0.814 175.505 176.300 0.032 0.000 0.968 86 R CA -0.506 55.653 56.100 0.097 0.000 0.867 86 R CB 1.092 31.442 30.300 0.082 0.000 1.124 86 R HN 0.837 nan 8.270 nan 0.000 0.450 87 I N 0.192 120.770 120.570 0.013 0.000 2.689 87 I HA 0.590 4.760 4.170 0.001 0.000 0.299 87 I C -1.295 174.756 176.117 -0.109 0.000 1.059 87 I CA -1.085 60.216 61.300 0.003 0.000 1.055 87 I CB 2.213 40.260 38.000 0.077 0.000 1.243 87 I HN 0.598 nan 8.210 nan 0.000 0.425 88 K N 3.491 123.802 120.400 -0.148 0.000 2.385 88 K HA 0.427 4.748 4.320 0.001 0.000 0.248 88 K C -1.393 175.045 176.600 -0.270 0.000 0.955 88 K CA -0.756 55.326 56.287 -0.342 0.000 0.816 88 K CB 2.286 34.434 32.500 -0.586 0.000 1.250 88 K HN 0.816 nan 8.250 nan 0.000 0.434 89 N N 2.296 120.820 118.700 -0.294 0.000 2.437 89 N HA 0.212 4.953 4.740 0.001 0.000 0.259 89 N C -0.412 175.029 175.510 -0.115 0.000 0.983 89 N CA -0.624 52.390 53.050 -0.060 0.000 0.937 89 N CB 0.546 39.003 38.487 -0.051 0.000 1.122 89 N HN 0.548 nan 8.380 nan 0.000 0.499 90 W N 2.162 123.526 121.300 0.107 0.000 2.800 90 W HA 0.251 4.911 4.660 0.001 0.000 0.249 90 W C 1.915 178.471 176.519 0.062 0.000 1.294 90 W CA -0.027 57.376 57.345 0.096 0.000 1.402 90 W CB 0.101 29.653 29.460 0.154 0.000 1.126 90 W HN 0.683 nan 8.180 nan 0.000 0.652 91 G N -0.011 108.920 108.800 0.219 0.000 2.473 91 G HA2 -0.188 3.772 3.960 0.001 0.000 0.212 91 G HA3 -0.188 3.772 3.960 0.001 0.000 0.212 91 G C 1.625 176.530 174.900 0.009 0.000 1.211 91 G CA 1.245 46.364 45.100 0.032 0.000 0.813 91 G HN 0.239 nan 8.290 nan 0.000 0.541 92 S N -0.591 115.111 115.700 0.003 0.000 2.446 92 S HA 0.326 4.796 4.470 0.001 0.000 0.225 92 S C 2.025 176.581 174.600 -0.074 0.000 1.016 92 S CA 1.219 59.399 58.200 -0.033 0.000 0.943 92 S CB -0.043 63.135 63.200 -0.037 0.000 0.786 92 S HN 1.660 nan 8.310 nan 0.000 0.508 93 G N 0.888 109.620 108.800 -0.115 0.000 2.195 93 G HA2 -0.214 3.747 3.960 0.001 0.000 0.246 93 G HA3 -0.214 3.747 3.960 0.001 0.000 0.246 93 G C 0.100 174.856 174.900 -0.240 0.000 0.984 93 G CA 0.283 45.276 45.100 -0.179 0.000 0.633 93 G HN 0.402 nan 8.290 nan 0.000 0.525 94 M N 1.474 120.923 119.600 -0.251 0.000 2.248 94 M HA 0.495 4.976 4.480 0.001 0.000 0.337 94 M C 0.695 176.698 176.300 -0.494 0.000 1.121 94 M CA 0.445 55.542 55.300 -0.339 0.000 1.155 94 M CB 0.152 32.541 32.600 -0.353 0.000 1.514 94 M HN 0.092 nan 8.290 nan 0.000 0.452 95 T N 2.518 116.783 114.554 -0.481 0.000 2.932 95 T HA 0.787 5.138 4.350 0.001 0.000 0.289 95 T C -0.898 173.489 174.700 -0.521 0.000 1.039 95 T CA -0.351 61.471 62.100 -0.463 0.000 1.024 95 T CB 1.124 69.842 68.868 -0.250 0.000 1.090 95 T HN 0.389 nan 8.240 nan 0.000 0.496 96 F N 0.732 120.541 119.950 -0.235 0.000 2.588 96 F HA 0.476 5.003 4.527 0.001 0.000 0.314 96 F C 0.295 175.963 175.800 -0.220 0.000 1.069 96 F CA -1.185 56.600 58.000 -0.359 0.000 0.931 96 F CB 2.246 40.717 39.000 -0.883 0.000 1.260 96 F HN 0.223 nan 8.300 nan 0.000 0.465 97 Q N 2.069 121.933 119.800 0.107 0.000 2.341 97 Q HA 0.177 4.518 4.340 0.001 0.000 0.268 97 Q C -1.551 174.595 176.000 0.244 0.000 1.013 97 Q CA -0.682 55.183 55.803 0.103 0.000 0.798 97 Q CB 2.239 30.895 28.738 -0.137 0.000 1.253 97 Q HN 0.419 nan 8.270 nan 0.000 0.457 98 D N 1.823 122.425 120.400 0.337 0.000 2.329 98 D HA 0.132 4.772 4.640 0.001 0.000 0.232 98 D C 0.350 176.889 176.300 0.399 0.000 1.088 98 D CA -0.089 54.172 54.000 0.435 0.000 0.835 98 D CB 1.418 42.474 40.800 0.427 0.000 1.078 98 D HN 0.661 nan 8.370 nan 0.000 0.495 99 T N 1.000 115.724 114.554 0.285 0.000 2.969 99 T HA -0.034 4.316 4.350 0.001 0.000 0.250 99 T C 1.831 176.564 174.700 0.056 0.000 1.021 99 T CA -0.241 62.001 62.100 0.238 0.000 1.003 99 T CB 0.116 69.077 68.868 0.154 0.000 1.040 99 T HN 0.237 nan 8.240 nan 0.000 0.492 100 L N 3.302 124.539 121.223 0.024 0.000 2.191 100 L HA -0.087 4.254 4.340 0.001 0.000 0.212 100 L C 2.535 179.227 176.870 -0.296 0.000 1.103 100 L CA 1.821 56.621 54.840 -0.066 0.000 0.769 100 L CB -0.965 41.103 42.059 0.015 0.000 0.908 100 L HN 0.590 nan 8.230 nan 0.000 0.438 101 H N -2.749 115.916 119.070 -0.676 0.000 2.541 101 H HA -0.173 4.384 4.556 0.001 0.000 0.289 101 H C 1.509 176.493 175.328 -0.574 0.000 1.054 101 H CA 1.563 56.915 56.048 -1.159 0.000 1.250 101 H CB -0.748 28.345 29.762 -1.114 0.000 1.369 101 H HN 0.519 nan 8.280 nan 0.000 0.578 102 H N 1.426 120.007 119.070 -0.815 0.000 2.462 102 H HA 0.048 4.605 4.556 0.001 0.000 0.292 102 H C 1.737 176.907 175.328 -0.263 0.000 1.049 102 H CA 0.871 56.600 56.048 -0.531 0.000 1.334 102 H CB 0.391 29.891 29.762 -0.436 0.000 1.404 102 H HN 0.477 nan 8.280 nan 0.000 0.544 103 K N 0.648 120.983 120.400 -0.107 0.000 2.228 103 K HA 0.125 4.446 4.320 0.001 0.000 0.202 103 K C 1.270 177.852 176.600 -0.030 0.000 1.051 103 K CA 0.270 56.532 56.287 -0.042 0.000 0.960 103 K CB 0.287 32.776 32.500 -0.018 0.000 0.743 103 K HN 0.058 nan 8.250 nan 0.000 0.458 104 A N 2.417 125.204 122.820 -0.055 0.000 2.552 104 A HA -0.074 4.247 4.320 0.001 0.000 0.241 104 A C -0.138 177.441 177.584 -0.009 0.000 1.103 104 A CA 0.506 52.547 52.037 0.006 0.000 0.789 104 A CB 0.123 19.145 19.000 0.036 0.000 1.050 104 A HN 0.152 nan 8.150 nan 0.000 0.515 105 K N 0.384 120.777 120.400 -0.012 0.000 2.156 105 K HA 0.394 4.715 4.320 0.001 0.000 0.271 105 K C 0.441 177.036 176.600 -0.009 0.000 0.995 105 K CA 0.137 56.415 56.287 -0.014 0.000 0.890 105 K CB 1.494 33.981 32.500 -0.022 0.000 1.073 105 K HN 0.738 nan 8.250 nan 0.000 0.454 106 G N 3.382 112.181 108.800 -0.001 0.000 3.008 106 G HA2 0.182 4.143 3.960 0.001 0.000 0.272 106 G HA3 0.182 4.143 3.960 0.001 0.000 0.272 106 G C 0.705 175.608 174.900 0.006 0.000 0.764 106 G CA -0.172 44.931 45.100 0.005 0.000 2.029 106 G HN 0.758 nan 8.290 nan 0.000 0.587 107 I N -1.447 119.126 120.570 0.004 0.000 4.327 107 I HA 0.411 4.581 4.170 0.001 0.000 0.331 107 I C 0.357 176.486 176.117 0.020 0.000 1.348 107 I CA -0.469 60.837 61.300 0.010 0.000 1.152 107 I CB 0.163 38.170 38.000 0.012 0.000 1.151 107 I HN -0.031 nan 8.210 nan 0.000 0.410 108 L N 2.625 123.860 121.223 0.020 0.000 2.456 108 L HA 0.115 4.456 4.340 0.001 0.000 0.272 108 L C 1.616 178.506 176.870 0.033 0.000 1.189 108 L CA 0.219 55.077 54.840 0.031 0.000 0.846 108 L CB 0.967 43.048 42.059 0.036 0.000 1.111 108 L HN 0.327 nan 8.230 nan 0.000 0.475 109 T N -2.536 112.041 114.554 0.039 0.000 3.169 109 T HA 0.079 4.430 4.350 0.001 0.000 0.250 109 T C 0.541 175.260 174.700 0.032 0.000 1.111 109 T CA -0.444 61.677 62.100 0.035 0.000 1.010 109 T CB -0.495 68.397 68.868 0.039 0.000 0.984 109 T HN 0.462 nan 8.240 nan 0.000 0.537 110 C N 2.453 121.773 119.300 0.033 0.000 2.601 110 C HA 0.637 5.098 4.460 0.001 0.000 0.409 110 C C 1.053 176.057 174.990 0.023 0.000 1.293 110 C CA -0.913 58.123 59.018 0.029 0.000 2.101 110 C CB -0.135 27.623 27.740 0.031 0.000 2.639 110 C HN 0.577 nan 8.230 nan 0.000 0.592 111 R N 1.010 121.521 120.500 0.019 0.000 3.076 111 R HA 0.399 4.740 4.340 0.001 0.000 0.239 111 R C 1.141 177.448 176.300 0.012 0.000 1.392 111 R CA -0.310 55.800 56.100 0.015 0.000 1.044 111 R CB 0.801 31.109 30.300 0.014 0.000 1.389 111 R HN 0.731 nan 8.270 nan 0.000 0.498 112 S N -0.137 115.569 115.700 0.010 0.000 2.461 112 S HA -0.016 4.455 4.470 0.001 0.000 0.228 112 S C 1.356 175.959 174.600 0.005 0.000 1.005 112 S CA 0.654 58.858 58.200 0.007 0.000 0.942 112 S CB 0.058 63.262 63.200 0.006 0.000 0.776 112 S HN 0.393 nan 8.310 nan 0.000 0.514 113 K N 1.346 121.750 120.400 0.007 0.000 2.243 113 K HA 0.107 4.428 4.320 0.001 0.000 0.201 113 K C 0.134 176.738 176.600 0.006 0.000 1.051 113 K CA 0.872 57.163 56.287 0.006 0.000 0.970 113 K CB 0.132 32.636 32.500 0.007 0.000 0.755 113 K HN 0.621 nan 8.250 nan 0.000 0.465 114 S N -1.108 114.598 115.700 0.008 0.000 2.543 114 S HA 0.169 4.640 4.470 0.001 0.000 0.274 114 S C -1.019 173.589 174.600 0.013 0.000 1.149 114 S CA -1.336 56.870 58.200 0.009 0.000 0.866 114 S CB 1.276 64.483 63.200 0.012 0.000 1.111 114 S HN 0.174 nan 8.310 nan 0.000 0.457 115 C N 3.602 122.909 119.300 0.011 0.000 2.273 115 C HA 0.735 5.196 4.460 0.001 0.000 0.328 115 C C 0.343 175.348 174.990 0.025 0.000 1.275 115 C CA -0.648 58.379 59.018 0.016 0.000 1.704 115 C CB -1.337 26.407 27.740 0.006 0.000 2.326 115 C HN 0.845 nan 8.230 nan 0.000 0.517 116 L N 6.046 127.291 121.223 0.036 0.000 2.791 116 L HA 0.334 4.675 4.340 0.001 0.000 0.239 116 L C 2.181 179.090 176.870 0.066 0.000 1.203 116 L CA 0.802 55.671 54.840 0.048 0.000 1.002 116 L CB -0.307 41.781 42.059 0.048 0.000 1.295 116 L HN 1.012 nan 8.230 nan 0.000 0.504 117 G N -0.064 108.775 108.800 0.064 0.000 2.507 117 G HA2 -0.323 3.638 3.960 0.001 0.000 0.221 117 G HA3 -0.323 3.638 3.960 0.001 0.000 0.221 117 G C 1.593 176.568 174.900 0.125 0.000 1.119 117 G CA 1.233 46.386 45.100 0.087 0.000 0.751 117 G HN 0.528 nan 8.290 nan 0.000 0.574 118 S N -0.133 115.635 115.700 0.114 0.000 2.631 118 S HA 0.296 4.767 4.470 0.001 0.000 0.217 118 S C 0.762 175.453 174.600 0.152 0.000 0.958 118 S CA -0.582 57.705 58.200 0.145 0.000 0.920 118 S CB -0.081 63.183 63.200 0.107 0.000 0.776 118 S HN 0.043 nan 8.310 nan 0.000 0.517 119 I N 2.881 123.533 120.570 0.137 0.000 2.517 119 I HA 0.113 4.284 4.170 0.001 0.000 0.285 119 I C 1.730 177.957 176.117 0.184 0.000 1.106 119 I CA -0.120 61.257 61.300 0.129 0.000 1.402 119 I CB -0.114 37.945 38.000 0.099 0.000 1.399 119 I HN 0.319 nan 8.210 nan 0.000 0.535 120 M N 4.575 124.286 119.600 0.185 0.000 2.115 120 M HA -0.161 4.319 4.480 0.001 0.000 0.258 120 M C 0.649 177.064 176.300 0.191 0.000 1.071 120 M CA 1.893 57.345 55.300 0.255 0.000 1.100 120 M CB -0.406 32.290 32.600 0.160 0.000 1.292 120 M HN 0.534 nan 8.290 nan 0.000 0.415 121 T N 2.272 116.863 114.554 0.061 0.000 3.378 121 T HA 0.344 4.695 4.350 0.001 0.000 0.359 121 T C -2.241 172.495 174.700 0.060 0.000 1.815 121 T CA -1.129 60.944 62.100 -0.046 0.000 1.509 121 T CB 0.488 69.232 68.868 -0.208 0.000 1.049 121 T HN 0.255 nan 8.240 nan 0.000 0.705 122 P HA 0.191 nan 4.420 nan 0.000 0.272 122 P C 0.805 178.187 177.300 0.136 0.000 1.223 122 P CA -0.436 62.737 63.100 0.121 0.000 0.784 122 P CB 1.552 33.327 31.700 0.124 0.000 0.923 123 K N 1.209 121.666 120.400 0.095 0.000 2.148 123 K HA -0.101 4.219 4.320 0.001 0.000 0.204 123 K C 1.919 178.582 176.600 0.105 0.000 1.050 123 K CA 1.651 57.989 56.287 0.085 0.000 0.942 123 K CB -0.195 32.335 32.500 0.050 0.000 0.724 123 K HN 0.553 nan 8.250 nan 0.000 0.446 124 S N 0.594 116.356 115.700 0.103 0.000 2.419 124 S HA -0.120 4.351 4.470 0.001 0.000 0.235 124 S C 1.654 176.355 174.600 0.169 0.000 1.019 124 S CA 0.870 59.131 58.200 0.101 0.000 0.982 124 S CB -0.245 62.999 63.200 0.074 0.000 0.789 124 S HN 0.306 nan 8.310 nan 0.000 0.490 125 L N 1.197 122.556 121.223 0.228 0.000 2.667 125 L HA 0.255 4.595 4.340 0.001 0.000 0.232 125 L C -0.013 177.139 176.870 0.470 0.000 1.138 125 L CA -0.050 54.988 54.840 0.330 0.000 0.921 125 L CB -0.015 42.187 42.059 0.239 0.000 1.180 125 L HN 0.200 nan 8.230 nan 0.000 0.487 126 T N -0.131 114.625 114.554 0.338 0.000 2.867 126 T HA 0.414 4.764 4.350 0.001 0.000 0.282 126 T C -0.214 174.544 174.700 0.095 0.000 1.000 126 T CA -0.411 61.849 62.100 0.268 0.000 1.042 126 T CB 2.108 71.081 68.868 0.174 0.000 0.973 126 T HN -0.088 nan 8.240 nan 0.000 0.465 127 R N 1.786 122.306 120.500 0.033 0.000 2.363 127 R HA 0.530 4.871 4.340 0.001 0.000 0.297 127 R C 0.511 176.779 176.300 -0.053 0.000 1.208 127 R CA -0.405 55.612 56.100 -0.138 0.000 1.121 127 R CB 0.118 30.223 30.300 -0.325 0.000 1.124 127 R HN 0.852 nan 8.270 nan 0.000 0.561 128 G N 2.941 111.711 108.800 -0.050 0.000 2.525 128 G HA2 0.269 4.229 3.960 0.001 0.000 0.276 128 G HA3 0.269 4.229 3.960 0.001 0.000 0.276 128 G C -1.938 172.932 174.900 -0.050 0.000 1.388 128 G CA -0.742 44.330 45.100 -0.046 0.000 1.050 128 G HN 0.521 nan 8.290 nan 0.000 0.520 129 P HA 0.365 nan 4.420 nan 0.000 0.276 129 P C -0.810 176.468 177.300 -0.036 0.000 1.252 129 P CA -0.240 62.834 63.100 -0.043 0.000 0.802 129 P CB 1.209 32.878 31.700 -0.051 0.000 1.035 130 R N 0.156 120.639 120.500 -0.027 0.000 2.836 130 R HA 0.414 4.755 4.340 0.001 0.000 0.269 130 R C -0.571 175.722 176.300 -0.012 0.000 1.010 130 R CA -0.679 55.409 56.100 -0.021 0.000 0.930 130 R CB 0.941 31.228 30.300 -0.021 0.000 1.218 130 R HN 0.363 nan 8.270 nan 0.000 0.473 131 D N -0.434 119.962 120.400 -0.007 0.000 2.540 131 D HA 0.202 4.843 4.640 0.001 0.000 0.229 131 D C -0.503 175.803 176.300 0.010 0.000 1.250 131 D CA -0.312 53.688 54.000 0.000 0.000 0.817 131 D CB 0.520 41.317 40.800 -0.006 0.000 1.060 131 D HN 0.243 nan 8.370 nan 0.000 0.508 132 K N 0.060 120.464 120.400 0.007 0.000 2.532 132 K HA 0.495 4.816 4.320 0.001 0.000 0.265 132 K C -3.000 173.603 176.600 0.005 0.000 0.948 132 K CA -1.905 54.388 56.287 0.009 0.000 0.842 132 K CB 2.465 34.968 32.500 0.004 0.000 1.392 132 K HN -0.201 nan 8.250 nan 0.000 0.436 133 P HA 0.059 nan 4.420 nan 0.000 0.272 133 P C -0.768 176.531 177.300 -0.003 0.000 1.240 133 P CA -0.310 62.790 63.100 -0.000 0.000 0.791 133 P CB 0.397 32.099 31.700 0.003 0.000 0.978 134 T N 2.834 117.385 114.554 -0.006 0.000 2.814 134 T HA 0.230 4.581 4.350 0.001 0.000 0.297 134 T C -2.166 172.540 174.700 0.009 0.000 0.956 134 T CA -0.843 61.256 62.100 -0.001 0.000 1.123 134 T CB -0.425 68.443 68.868 -0.000 0.000 0.902 134 T HN 0.274 nan 8.240 nan 0.000 0.528 135 P HA 0.106 nan 4.420 nan 0.000 0.263 135 P C -1.871 175.440 177.300 0.018 0.000 1.195 135 P CA -1.166 61.941 63.100 0.011 0.000 0.762 135 P CB 0.242 31.946 31.700 0.007 0.000 0.799 136 P HA -0.251 nan 4.420 nan 0.000 0.217 136 P C 0.843 178.155 177.300 0.019 0.000 1.151 136 P CA 1.634 64.749 63.100 0.025 0.000 0.849 136 P CB -0.195 31.518 31.700 0.022 0.000 0.787 137 D N -0.555 119.853 120.400 0.014 0.000 2.178 137 D HA -0.183 4.458 4.640 0.001 0.000 0.201 137 D C 1.511 177.818 176.300 0.012 0.000 0.980 137 D CA 1.040 55.046 54.000 0.010 0.000 0.842 137 D CB -0.846 39.959 40.800 0.008 0.000 0.948 137 D HN 0.273 nan 8.370 nan 0.000 0.472 138 E N -0.409 119.800 120.200 0.015 0.000 2.250 138 E HA 0.007 4.358 4.350 0.001 0.000 0.192 138 E C 1.832 178.448 176.600 0.028 0.000 0.986 138 E CA 0.040 56.451 56.400 0.017 0.000 0.849 138 E CB 0.050 29.757 29.700 0.012 0.000 0.797 138 E HN 0.244 nan 8.360 nan 0.000 0.482 139 L N 1.199 122.444 121.223 0.036 0.000 2.068 139 L HA -0.079 4.262 4.340 0.001 0.000 0.204 139 L C 2.169 179.065 176.870 0.044 0.000 1.076 139 L CA 1.006 55.883 54.840 0.062 0.000 0.753 139 L CB -0.436 41.677 42.059 0.090 0.000 0.910 139 L HN 0.079 nan 8.230 nan 0.000 0.439 140 L N 0.424 121.655 121.223 0.013 0.000 1.997 140 L HA -0.186 4.155 4.340 0.001 0.000 0.216 140 L C -0.477 176.389 176.870 -0.007 0.000 1.074 140 L CA 2.462 57.290 54.840 -0.020 0.000 0.763 140 L CB -1.921 40.130 42.059 -0.014 0.000 0.890 140 L HN 0.187 nan 8.230 nan 0.000 0.434 141 P HA -0.208 nan 4.420 nan 0.000 0.215 141 P C 1.553 178.882 177.300 0.049 0.000 1.157 141 P CA 1.695 64.811 63.100 0.026 0.000 0.874 141 P CB -0.123 31.592 31.700 0.025 0.000 0.790 142 Q N -0.774 119.064 119.800 0.062 0.000 2.124 142 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 142 Q C 2.241 178.329 176.000 0.147 0.000 0.977 142 Q CA 1.600 57.465 55.803 0.102 0.000 0.850 142 Q CB -0.762 28.037 28.738 0.101 0.000 0.901 142 Q HN 0.186 nan 8.270 nan 0.000 0.429 143 A N 1.367 124.241 122.820 0.090 0.000 1.877 143 A HA -0.173 4.148 4.320 0.001 0.000 0.216 143 A C 2.062 179.684 177.584 0.063 0.000 1.186 143 A CA 1.143 53.193 52.037 0.021 0.000 0.620 143 A CB -0.493 18.259 19.000 -0.413 0.000 0.822 143 A HN 0.232 nan 8.150 nan 0.000 0.443 144 I N 0.028 120.612 120.570 0.023 0.000 2.163 144 I HA -0.245 3.926 4.170 0.001 0.000 0.243 144 I C 2.420 178.597 176.117 0.101 0.000 1.085 144 I CA 1.963 63.295 61.300 0.054 0.000 1.347 144 I CB -1.545 36.478 38.000 0.038 0.000 1.044 144 I HN 0.567 nan 8.210 nan 0.000 0.408 145 E N 0.574 120.841 120.200 0.112 0.000 2.118 145 E HA -0.280 4.071 4.350 0.001 0.000 0.195 145 E C 2.276 178.966 176.600 0.149 0.000 0.992 145 E CA 1.269 57.741 56.400 0.119 0.000 0.804 145 E CB -0.221 29.548 29.700 0.115 0.000 0.741 145 E HN 0.371 nan 8.360 nan 0.000 0.458 146 F N 0.602 120.612 119.950 0.100 0.000 2.146 146 F HA -0.164 4.364 4.527 0.001 0.000 0.298 146 F C 1.897 177.771 175.800 0.124 0.000 1.096 146 F CA 1.160 59.239 58.000 0.133 0.000 1.275 146 F CB -0.447 38.653 39.000 0.166 0.000 1.008 146 F HN -0.122 nan 8.300 nan 0.000 0.480 147 V N 1.288 121.102 119.914 -0.165 0.000 2.343 147 V HA -0.343 3.777 4.120 0.001 0.000 0.247 147 V C 2.282 178.248 176.094 -0.214 0.000 1.051 147 V CA 2.151 64.329 62.300 -0.203 0.000 1.036 147 V CB -0.991 30.881 31.823 0.081 0.000 0.654 147 V HN 0.370 nan 8.190 nan 0.000 0.451 148 N N 0.160 118.816 118.700 -0.072 0.000 2.084 148 N HA -0.230 4.510 4.740 0.001 0.000 0.190 148 N C 1.933 177.362 175.510 -0.134 0.000 1.030 148 N CA 1.807 54.839 53.050 -0.029 0.000 0.849 148 N CB -0.471 38.094 38.487 0.130 0.000 1.012 148 N HN 0.651 nan 8.380 nan 0.000 0.423 149 Q N -0.213 119.509 119.800 -0.130 0.000 2.096 149 Q HA -0.209 4.132 4.340 0.001 0.000 0.204 149 Q C 2.046 177.849 176.000 -0.327 0.000 0.982 149 Q CA 1.337 57.073 55.803 -0.112 0.000 0.850 149 Q CB -0.203 28.557 28.738 0.037 0.000 0.901 149 Q HN 0.553 nan 8.270 nan 0.000 0.422 150 Y N -0.515 119.299 120.300 -0.808 0.000 2.089 150 Y HA -0.318 4.233 4.550 0.001 0.000 0.282 150 Y C 1.720 176.926 175.900 -1.156 0.000 1.139 150 Y CA 1.880 59.150 58.100 -1.383 0.000 1.123 150 Y CB -0.324 37.288 38.460 -1.413 0.000 0.980 150 Y HN 0.161 nan 8.280 nan 0.000 0.493 151 Y N 0.274 120.099 120.300 -0.790 0.000 2.274 151 Y HA -0.067 4.484 4.550 0.001 0.000 0.290 151 Y C 2.572 178.267 175.900 -0.342 0.000 1.145 151 Y CA 1.283 59.067 58.100 -0.526 0.000 1.203 151 Y CB -0.969 37.150 38.460 -0.569 0.000 0.984 151 Y HN 0.264 nan 8.280 nan 0.000 0.533 152 G N -1.413 107.258 108.800 -0.214 0.000 2.776 152 G HA2 -0.157 3.804 3.960 0.001 0.000 0.209 152 G HA3 -0.157 3.804 3.960 0.001 0.000 0.209 152 G C 1.627 176.414 174.900 -0.190 0.000 1.145 152 G CA 0.971 46.008 45.100 -0.104 0.000 0.791 152 G HN 0.471 nan 8.290 nan 0.000 0.530 153 S N -0.319 115.108 115.700 -0.455 0.000 2.486 153 S HA 0.274 4.744 4.470 0.001 0.000 0.220 153 S C 0.574 174.929 174.600 -0.409 0.000 1.011 153 S CA -0.617 57.328 58.200 -0.424 0.000 0.921 153 S CB -0.185 62.692 63.200 -0.539 0.000 0.785 153 S HN 0.006 nan 8.310 nan 0.000 0.517 154 F N 3.240 123.052 119.950 -0.230 0.000 2.529 154 F HA 0.349 4.876 4.527 0.001 0.000 0.365 154 F C 1.651 177.403 175.800 -0.080 0.000 1.102 154 F CA -0.663 57.242 58.000 -0.159 0.000 1.271 154 F CB 0.605 39.504 39.000 -0.168 0.000 1.120 154 F HN 0.081 nan 8.300 nan 0.000 0.579 155 K N 1.701 122.178 120.400 0.129 0.000 2.057 155 K HA -0.113 4.208 4.320 0.001 0.000 0.207 155 K C -0.199 176.441 176.600 0.066 0.000 1.049 155 K CA 1.429 57.758 56.287 0.069 0.000 0.931 155 K CB 0.076 32.607 32.500 0.051 0.000 0.714 155 K HN 0.679 nan 8.250 nan 0.000 0.440 156 E N 1.082 121.328 120.200 0.076 0.000 2.101 156 E HA 0.277 4.628 4.350 0.001 0.000 0.260 156 E C -1.086 175.535 176.600 0.034 0.000 0.897 156 E CA -0.656 55.766 56.400 0.036 0.000 0.744 156 E CB 1.527 31.231 29.700 0.007 0.000 1.140 156 E HN 0.345 nan 8.360 nan 0.000 0.419 157 A N 3.814 126.663 122.820 0.048 0.000 2.632 157 A HA -0.142 4.178 4.320 0.001 0.000 0.229 157 A C 0.235 177.807 177.584 -0.020 0.000 1.047 157 A CA 0.715 52.783 52.037 0.051 0.000 0.754 157 A CB 0.154 19.177 19.000 0.038 0.000 0.969 157 A HN 0.628 nan 8.150 nan 0.000 0.509 158 K N 2.712 123.093 120.400 -0.032 0.000 3.206 158 K HA 0.290 4.611 4.320 0.001 0.000 0.180 158 K C 0.425 176.941 176.600 -0.140 0.000 1.088 158 K CA -0.183 56.030 56.287 -0.124 0.000 0.872 158 K CB 0.363 32.722 32.500 -0.235 0.000 0.976 158 K HN 0.698 nan 8.250 nan 0.000 0.564 159 I N 0.520 121.035 120.570 -0.092 0.000 2.248 159 I HA -0.362 3.808 4.170 0.001 0.000 0.248 159 I C 2.495 178.519 176.117 -0.156 0.000 1.107 159 I CA 1.532 62.764 61.300 -0.114 0.000 1.373 159 I CB -0.184 37.761 38.000 -0.092 0.000 1.055 159 I HN 0.550 nan 8.210 nan 0.000 0.418 160 E N 1.575 121.695 120.200 -0.134 0.000 2.017 160 E HA -0.261 4.090 4.350 0.001 0.000 0.193 160 E C 2.054 178.563 176.600 -0.152 0.000 0.997 160 E CA 1.669 57.996 56.400 -0.122 0.000 0.804 160 E CB -0.024 29.620 29.700 -0.092 0.000 0.757 160 E HN 0.543 nan 8.360 nan 0.000 0.448 161 E N -0.581 119.504 120.200 -0.192 0.000 2.077 161 E HA -0.237 4.113 4.350 0.001 0.000 0.193 161 E C 2.119 178.456 176.600 -0.438 0.000 0.989 161 E CA 1.248 57.513 56.400 -0.224 0.000 0.800 161 E CB -0.342 29.263 29.700 -0.158 0.000 0.746 161 E HN 0.488 nan 8.360 nan 0.000 0.452 162 H N 0.395 118.902 119.070 -0.938 0.000 2.289 162 H HA -0.155 4.402 4.556 0.001 0.000 0.296 162 H C 2.094 177.184 175.328 -0.397 0.000 1.091 162 H CA 0.996 56.396 56.048 -1.081 0.000 1.274 162 H CB 0.189 29.491 29.762 -0.768 0.000 1.364 162 H HN 0.049 nan 8.280 nan 0.000 0.490 163 L N 0.699 121.820 121.223 -0.169 0.000 2.083 163 L HA -0.129 4.212 4.340 0.001 0.000 0.209 163 L C 2.931 179.768 176.870 -0.055 0.000 1.083 163 L CA 1.538 56.298 54.840 -0.133 0.000 0.752 163 L CB -1.779 40.189 42.059 -0.152 0.000 0.899 163 L HN 0.472 nan 8.230 nan 0.000 0.433 164 A N -0.069 122.713 122.820 -0.063 0.000 1.865 164 A HA -0.269 4.052 4.320 0.001 0.000 0.217 164 A C 2.448 180.048 177.584 0.026 0.000 1.191 164 A CA 1.921 53.945 52.037 -0.021 0.000 0.623 164 A CB -0.521 18.464 19.000 -0.025 0.000 0.826 164 A HN 0.292 nan 8.150 nan 0.000 0.444 165 R N -0.058 120.477 120.500 0.058 0.000 2.091 165 R HA -0.102 4.239 4.340 0.001 0.000 0.238 165 R C 1.842 178.220 176.300 0.130 0.000 1.136 165 R CA 2.080 58.271 56.100 0.151 0.000 0.959 165 R CB -1.277 29.223 30.300 0.334 0.000 0.856 165 R HN 0.286 nan 8.270 nan 0.000 0.437 166 V N 0.784 120.773 119.914 0.125 0.000 2.343 166 V HA -0.217 3.904 4.120 0.001 0.000 0.247 166 V C 2.360 178.476 176.094 0.036 0.000 1.051 166 V CA 2.247 64.602 62.300 0.090 0.000 1.036 166 V CB -0.576 31.301 31.823 0.090 0.000 0.654 166 V HN 0.496 nan 8.190 nan 0.000 0.451 167 E N 0.116 120.331 120.200 0.025 0.000 2.047 167 E HA -0.212 4.139 4.350 0.001 0.000 0.191 167 E C 2.289 178.901 176.600 0.019 0.000 0.987 167 E CA 1.296 57.702 56.400 0.011 0.000 0.799 167 E CB -0.211 29.490 29.700 0.002 0.000 0.752 167 E HN 0.555 nan 8.360 nan 0.000 0.449 168 A N 0.606 123.448 122.820 0.036 0.000 1.865 168 A HA -0.177 4.144 4.320 0.001 0.000 0.217 168 A C 2.431 180.041 177.584 0.043 0.000 1.191 168 A CA 1.740 53.805 52.037 0.047 0.000 0.623 168 A CB -0.895 18.147 19.000 0.070 0.000 0.826 168 A HN 0.232 nan 8.150 nan 0.000 0.444 169 V N -0.117 119.817 119.914 0.033 0.000 2.343 169 V HA -0.240 3.880 4.120 0.001 0.000 0.247 169 V C 2.740 178.798 176.094 -0.060 0.000 1.051 169 V CA 2.481 64.764 62.300 -0.028 0.000 1.036 169 V CB -1.329 30.418 31.823 -0.126 0.000 0.654 169 V HN 0.639 nan 8.190 nan 0.000 0.451 170 T N -0.578 113.953 114.554 -0.039 0.000 2.746 170 T HA -0.188 4.162 4.350 0.001 0.000 0.267 170 T C 2.022 176.717 174.700 -0.008 0.000 1.039 170 T CA 1.404 63.485 62.100 -0.032 0.000 1.142 170 T CB -0.218 68.639 68.868 -0.018 0.000 0.866 170 T HN 0.288 nan 8.240 nan 0.000 0.444 171 K N 1.286 121.689 120.400 0.005 0.000 2.057 171 K HA 0.023 4.344 4.320 0.001 0.000 0.206 171 K C 2.240 178.855 176.600 0.025 0.000 1.050 171 K CA 1.049 57.345 56.287 0.015 0.000 0.935 171 K CB -0.382 32.129 32.500 0.018 0.000 0.715 171 K HN 0.425 nan 8.250 nan 0.000 0.439 172 E N 0.272 120.495 120.200 0.038 0.000 2.085 172 E HA -0.173 4.178 4.350 0.001 0.000 0.194 172 E C 1.839 178.478 176.600 0.064 0.000 0.994 172 E CA 1.207 57.644 56.400 0.062 0.000 0.801 172 E CB -0.052 29.709 29.700 0.101 0.000 0.743 172 E HN 0.233 nan 8.360 nan 0.000 0.453 173 I N 0.823 121.423 120.570 0.051 0.000 2.252 173 I HA -0.247 3.924 4.170 0.001 0.000 0.245 173 I C 2.181 178.319 176.117 0.036 0.000 1.102 173 I CA 1.166 62.498 61.300 0.054 0.000 1.385 173 I CB -0.293 37.719 38.000 0.019 0.000 1.064 173 I HN 0.147 nan 8.210 nan 0.000 0.414 174 E N 0.458 120.672 120.200 0.022 0.000 2.047 174 E HA -0.197 4.154 4.350 0.001 0.000 0.191 174 E C 2.235 178.848 176.600 0.020 0.000 0.987 174 E CA 2.030 58.441 56.400 0.017 0.000 0.799 174 E CB -0.212 29.494 29.700 0.011 0.000 0.752 174 E HN 0.602 nan 8.360 nan 0.000 0.449 175 T N -0.746 113.822 114.554 0.024 0.000 2.770 175 T HA -0.114 4.237 4.350 0.001 0.000 0.258 175 T C 2.286 177.001 174.700 0.025 0.000 1.039 175 T CA 1.710 63.823 62.100 0.023 0.000 1.143 175 T CB -0.550 68.332 68.868 0.023 0.000 0.866 175 T HN 0.233 nan 8.240 nan 0.000 0.428 176 T N -2.459 112.115 114.554 0.033 0.000 3.037 176 T HA 0.486 4.837 4.350 0.001 0.000 0.251 176 T C 1.930 176.649 174.700 0.032 0.000 1.079 176 T CA 0.871 62.990 62.100 0.031 0.000 1.067 176 T CB -0.212 68.678 68.868 0.037 0.000 0.948 176 T HN 1.092 nan 8.240 nan 0.000 0.496 177 G N -0.067 108.757 108.800 0.040 0.000 2.194 177 G HA2 -0.154 3.806 3.960 0.001 0.000 0.236 177 G HA3 -0.154 3.806 3.960 0.001 0.000 0.236 177 G C 0.229 175.165 174.900 0.060 0.000 0.987 177 G CA 0.461 45.584 45.100 0.039 0.000 0.635 177 G HN 1.019 nan 8.290 nan 0.000 0.520 178 T N -1.345 113.261 114.554 0.087 0.000 2.648 178 T HA 0.672 5.023 4.350 0.001 0.000 0.304 178 T C -1.529 173.316 174.700 0.242 0.000 1.312 178 T CA 0.461 62.648 62.100 0.145 0.000 1.023 178 T CB 1.217 70.110 68.868 0.041 0.000 1.612 178 T HN 1.568 nan 8.240 nan 0.000 0.487 179 Y N -0.388 119.913 120.300 0.002 0.000 2.677 179 Y HA 0.857 5.407 4.550 0.001 0.000 0.334 179 Y C -1.310 174.601 175.900 0.019 0.000 1.154 179 Y CA -1.210 56.902 58.100 0.021 0.000 1.070 179 Y CB 0.939 39.426 38.460 0.045 0.000 1.294 179 Y HN 0.403 nan 8.280 nan 0.000 0.475 180 Q N 1.960 121.794 119.800 0.056 0.000 2.333 180 Q HA 0.499 4.839 4.340 0.001 0.000 0.267 180 Q C -0.967 175.052 176.000 0.031 0.000 1.012 180 Q CA -0.742 55.036 55.803 -0.041 0.000 0.824 180 Q CB 2.978 31.729 28.738 0.021 0.000 1.290 180 Q HN 0.847 nan 8.270 nan 0.000 0.449 181 L N 1.426 122.633 121.223 -0.027 0.000 2.436 181 L HA 0.326 4.667 4.340 0.001 0.000 0.265 181 L C 1.158 178.050 176.870 0.036 0.000 1.168 181 L CA -0.344 54.522 54.840 0.043 0.000 0.815 181 L CB 0.547 42.597 42.059 -0.015 0.000 1.109 181 L HN 0.671 nan 8.230 nan 0.000 0.462 182 T N -1.493 113.082 114.554 0.035 0.000 2.847 182 T HA 0.238 4.589 4.350 0.001 0.000 0.279 182 T C 1.303 175.994 174.700 -0.015 0.000 0.984 182 T CA -0.215 61.896 62.100 0.018 0.000 0.988 182 T CB 1.453 70.338 68.868 0.027 0.000 1.040 182 T HN 0.693 nan 8.240 nan 0.000 0.528 183 G N 0.365 109.160 108.800 -0.008 0.000 2.469 183 G HA2 -0.208 3.753 3.960 0.001 0.000 0.219 183 G HA3 -0.208 3.753 3.960 0.001 0.000 0.219 183 G C 1.194 176.082 174.900 -0.019 0.000 1.150 183 G CA 0.796 45.883 45.100 -0.022 0.000 0.763 183 G HN 0.842 nan 8.290 nan 0.000 0.561 184 D N 0.475 120.877 120.400 0.005 0.000 2.183 184 D HA -0.044 4.597 4.640 0.001 0.000 0.203 184 D C 2.422 178.699 176.300 -0.040 0.000 0.969 184 D CA 0.772 54.797 54.000 0.041 0.000 0.842 184 D CB -0.083 40.800 40.800 0.138 0.000 0.957 184 D HN 0.490 nan 8.370 nan 0.000 0.484 185 E N 0.400 120.478 120.200 -0.202 0.000 2.106 185 E HA -0.145 4.206 4.350 0.001 0.000 0.192 185 E C 2.117 178.740 176.600 0.039 0.000 0.984 185 E CA 0.258 56.491 56.400 -0.279 0.000 0.806 185 E CB -0.004 29.585 29.700 -0.184 0.000 0.750 185 E HN 0.093 nan 8.360 nan 0.000 0.458 186 L N 1.253 122.451 121.223 -0.041 0.000 2.017 186 L HA -0.169 4.172 4.340 0.001 0.000 0.208 186 L C 2.094 178.923 176.870 -0.068 0.000 1.073 186 L CA 1.507 56.280 54.840 -0.113 0.000 0.745 186 L CB -0.224 41.732 42.059 -0.171 0.000 0.894 186 L HN 0.118 nan 8.230 nan 0.000 0.432 187 I N -1.411 119.151 120.570 -0.012 0.000 2.163 187 I HA -0.339 3.832 4.170 0.001 0.000 0.243 187 I C 2.381 178.557 176.117 0.098 0.000 1.085 187 I CA 1.672 62.982 61.300 0.017 0.000 1.347 187 I CB -0.450 37.572 38.000 0.037 0.000 1.044 187 I HN 0.323 nan 8.210 nan 0.000 0.408 188 F N 1.911 121.881 119.950 0.035 0.000 2.095 188 F HA -0.252 4.275 4.527 0.001 0.000 0.298 188 F C 2.487 178.340 175.800 0.088 0.000 1.104 188 F CA 1.573 59.631 58.000 0.097 0.000 1.232 188 F CB -0.465 38.626 39.000 0.153 0.000 0.987 188 F HN 0.003 nan 8.300 nan 0.000 0.475 189 A N 0.032 122.881 122.820 0.048 0.000 1.883 189 A HA -0.238 4.083 4.320 0.001 0.000 0.217 189 A C 2.283 179.721 177.584 -0.243 0.000 1.186 189 A CA 2.795 54.753 52.037 -0.131 0.000 0.624 189 A CB -1.741 17.163 19.000 -0.160 0.000 0.822 189 A HN 0.572 nan 8.150 nan 0.000 0.444 190 T N -1.969 112.483 114.554 -0.170 0.000 2.833 190 T HA -0.131 4.220 4.350 0.001 0.000 0.269 190 T C 1.763 176.465 174.700 0.002 0.000 1.054 190 T CA 1.691 63.731 62.100 -0.099 0.000 1.135 190 T CB -0.293 68.541 68.868 -0.058 0.000 0.869 190 T HN 0.550 nan 8.240 nan 0.000 0.466 191 K N 0.255 120.652 120.400 -0.005 0.000 2.116 191 K HA 0.047 4.368 4.320 0.001 0.000 0.203 191 K C 2.890 179.434 176.600 -0.094 0.000 1.052 191 K CA 0.791 57.157 56.287 0.133 0.000 0.952 191 K CB -0.080 32.564 32.500 0.239 0.000 0.729 191 K HN 0.248 nan 8.250 nan 0.000 0.446 192 Q N 0.507 120.078 119.800 -0.383 0.000 2.050 192 Q HA -0.096 4.244 4.340 0.001 0.000 0.202 192 Q C 2.232 178.013 176.000 -0.366 0.000 0.980 192 Q CA 1.630 57.117 55.803 -0.528 0.000 0.840 192 Q CB -0.347 27.991 28.738 -0.667 0.000 0.898 192 Q HN 0.306 nan 8.270 nan 0.000 0.424 193 A N 0.255 122.868 122.820 -0.345 0.000 1.940 193 A HA -0.196 4.125 4.320 0.001 0.000 0.219 193 A C 1.791 179.263 177.584 -0.185 0.000 1.176 193 A CA 1.473 53.236 52.037 -0.457 0.000 0.631 193 A CB -0.940 17.436 19.000 -1.041 0.000 0.814 193 A HN 0.559 nan 8.150 nan 0.000 0.446 194 W N 0.816 122.007 121.300 -0.182 0.000 2.381 194 W HA -0.082 4.579 4.660 0.001 0.000 0.301 194 W C 2.278 178.655 176.519 -0.236 0.000 1.205 194 W CA 1.372 58.641 57.345 -0.127 0.000 1.285 194 W CB -0.671 28.718 29.460 -0.118 0.000 1.133 194 W HN 0.363 nan 8.180 nan 0.000 0.521 195 R N 0.334 120.668 120.500 -0.276 0.000 2.096 195 R HA -0.166 4.175 4.340 0.001 0.000 0.235 195 R C 1.341 177.466 176.300 -0.291 0.000 1.127 195 R CA 1.719 57.493 56.100 -0.543 0.000 0.968 195 R CB -0.511 29.213 30.300 -0.960 0.000 0.861 195 R HN 0.032 nan 8.270 nan 0.000 0.440 196 N N 0.203 118.764 118.700 -0.231 0.000 2.383 196 N HA 0.039 4.780 4.740 0.001 0.000 0.192 196 N C -0.767 174.667 175.510 -0.126 0.000 1.141 196 N CA 0.431 53.398 53.050 -0.139 0.000 0.851 196 N CB 0.870 39.320 38.487 -0.062 0.000 0.976 196 N HN 0.157 nan 8.380 nan 0.000 0.465 197 A N 1.512 124.239 122.820 -0.154 0.000 2.415 197 A HA 0.351 4.672 4.320 0.001 0.000 0.309 197 A C -1.298 176.214 177.584 -0.120 0.000 1.356 197 A CA -1.165 50.736 52.037 -0.227 0.000 0.998 197 A CB 0.539 19.448 19.000 -0.151 0.000 1.145 197 A HN -0.029 nan 8.150 nan 0.000 0.545 198 P HA -0.156 nan 4.420 nan 0.000 0.217 198 P C 0.968 178.219 177.300 -0.082 0.000 1.148 198 P CA 1.244 64.304 63.100 -0.068 0.000 0.828 198 P CB 0.149 31.812 31.700 -0.061 0.000 0.783 199 R N -1.952 118.447 120.500 -0.168 0.000 2.356 199 R HA 0.183 4.524 4.340 0.001 0.000 0.234 199 R C 0.105 176.397 176.300 -0.015 0.000 0.929 199 R CA -0.160 55.859 56.100 -0.135 0.000 1.084 199 R CB -0.438 29.571 30.300 -0.485 0.000 1.105 199 R HN 0.184 nan 8.270 nan 0.000 0.515 200 C N 0.672 119.951 119.300 -0.036 0.000 2.251 200 C HA 0.357 4.818 4.460 0.001 0.000 0.323 200 C C 1.576 176.551 174.990 -0.024 0.000 1.241 200 C CA -0.909 58.112 59.018 0.005 0.000 1.601 200 C CB -0.523 27.252 27.740 0.058 0.000 2.251 200 C HN 0.602 nan 8.230 nan 0.000 0.488 201 I N 4.276 124.800 120.570 -0.077 0.000 3.564 201 I HA 0.188 4.358 4.170 0.001 0.000 0.294 201 I C 1.731 177.889 176.117 0.067 0.000 1.289 201 I CA 1.104 62.318 61.300 -0.143 0.000 1.325 201 I CB 0.131 38.027 38.000 -0.172 0.000 1.039 201 I HN 0.917 nan 8.210 nan 0.000 0.474 202 G N -0.034 108.799 108.800 0.056 0.000 3.523 202 G HA2 0.076 4.036 3.960 0.001 0.000 0.270 202 G HA3 0.076 4.036 3.960 0.001 0.000 0.270 202 G C 1.215 176.109 174.900 -0.010 0.000 1.134 202 G CA -0.382 44.743 45.100 0.042 0.000 0.825 202 G HN 0.245 nan 8.290 nan 0.000 0.534 203 R N -0.152 120.229 120.500 -0.198 0.000 2.293 203 R HA 0.107 4.447 4.340 0.001 0.000 0.219 203 R C 1.959 177.721 176.300 -0.896 0.000 1.091 203 R CA 0.243 55.901 56.100 -0.737 0.000 1.004 203 R CB -0.138 29.587 30.300 -0.958 0.000 0.865 203 R HN 0.434 nan 8.270 nan 0.000 0.469 204 I N 0.863 121.096 120.570 -0.561 0.000 2.756 204 I HA -0.221 3.950 4.170 0.001 0.000 0.262 204 I C 1.191 177.170 176.117 -0.230 0.000 1.225 204 I CA 1.160 62.315 61.300 -0.242 0.000 1.472 204 I CB 0.162 38.155 38.000 -0.011 0.000 1.094 204 I HN 0.202 nan 8.210 nan 0.000 0.454 205 Q N 0.431 120.040 119.800 -0.318 0.000 2.280 205 Q HA -0.067 4.273 4.340 0.001 0.000 0.201 205 Q C 1.551 177.143 176.000 -0.680 0.000 0.890 205 Q CA 0.130 55.758 55.803 -0.291 0.000 0.947 205 Q CB -0.085 28.641 28.738 -0.021 0.000 1.081 205 Q HN 0.765 nan 8.270 nan 0.000 0.502 206 W N 1.063 121.617 121.300 -1.244 0.000 2.313 206 W HA -0.228 4.433 4.660 0.002 0.000 0.293 206 W C 1.239 177.409 176.519 -0.580 0.000 1.216 206 W CA 1.500 57.907 57.345 -1.564 0.000 1.223 206 W CB -1.132 27.601 29.460 -1.212 0.000 1.138 206 W HN 0.158 nan 8.180 nan 0.000 0.535 207 S N 0.778 115.900 115.700 -0.962 0.000 2.522 207 S HA -0.058 4.413 4.470 0.001 0.000 0.227 207 S C 0.260 174.702 174.600 -0.263 0.000 0.986 207 S CA 0.375 58.127 58.200 -0.747 0.000 0.929 207 S CB -0.816 61.764 63.200 -1.033 0.000 0.769 207 S HN 0.226 nan 8.310 nan 0.000 0.529 208 N N 1.663 120.278 118.700 -0.141 0.000 2.767 208 N HA 0.576 5.317 4.740 0.001 0.000 0.238 208 N C -1.366 174.259 175.510 0.191 0.000 1.083 208 N CA -0.300 52.768 53.050 0.031 0.000 0.964 208 N CB 1.196 39.723 38.487 0.067 0.000 1.252 208 N HN 0.298 nan 8.380 nan 0.000 0.512 209 L N 1.497 122.805 121.223 0.143 0.000 2.476 209 L HA 0.415 4.755 4.340 0.001 0.000 0.269 209 L C -1.066 175.788 176.870 -0.027 0.000 0.965 209 L CA -0.805 54.114 54.840 0.131 0.000 0.845 209 L CB 1.846 44.045 42.059 0.233 0.000 1.259 209 L HN 0.255 nan 8.230 nan 0.000 0.403 210 Q N 3.244 122.977 119.800 -0.112 0.000 2.286 210 Q HA 0.599 4.940 4.340 0.001 0.000 0.257 210 Q C -1.647 174.035 176.000 -0.530 0.000 0.941 210 Q CA -0.103 55.478 55.803 -0.369 0.000 0.912 210 Q CB 1.429 29.858 28.738 -0.516 0.000 1.192 210 Q HN 0.534 nan 8.270 nan 0.000 0.410 211 V N 5.752 125.329 119.914 -0.561 0.000 2.417 211 V HA 0.456 4.577 4.120 0.001 0.000 0.291 211 V C -0.907 174.822 176.094 -0.608 0.000 1.024 211 V CA -0.601 61.413 62.300 -0.476 0.000 0.861 211 V CB 0.878 32.543 31.823 -0.262 0.000 0.985 211 V HN 0.675 nan 8.190 nan 0.000 0.436 212 F N 2.633 122.412 119.950 -0.286 0.000 2.361 212 F HA 0.390 4.918 4.527 0.001 0.000 0.364 212 F C 0.412 176.033 175.800 -0.299 0.000 1.117 212 F CA -0.980 56.851 58.000 -0.282 0.000 1.071 212 F CB 1.156 39.976 39.000 -0.300 0.000 1.188 212 F HN 0.424 nan 8.300 nan 0.000 0.464 213 D N 3.326 123.676 120.400 -0.083 0.000 2.352 213 D HA 0.393 5.034 4.640 0.001 0.000 0.245 213 D C 0.031 176.208 176.300 -0.206 0.000 1.224 213 D CA 0.162 54.069 54.000 -0.153 0.000 0.879 213 D CB 1.167 41.904 40.800 -0.106 0.000 1.057 213 D HN 0.616 nan 8.370 nan 0.000 0.491 214 A N 4.631 127.241 122.820 -0.349 0.000 2.676 214 A HA 0.171 4.492 4.320 0.001 0.000 0.297 214 A C 1.500 178.940 177.584 -0.240 0.000 1.132 214 A CA -0.426 51.323 52.037 -0.479 0.000 0.972 214 A CB 0.069 18.473 19.000 -0.992 0.000 1.197 214 A HN 0.539 nan 8.150 nan 0.000 0.524 215 R N 0.350 120.760 120.500 -0.151 0.000 2.280 215 R HA -0.069 4.272 4.340 0.001 0.000 0.207 215 R C 1.612 177.853 176.300 -0.098 0.000 1.043 215 R CA 1.337 57.383 56.100 -0.091 0.000 1.006 215 R CB -0.015 30.272 30.300 -0.022 0.000 0.885 215 R HN 0.610 nan 8.270 nan 0.000 0.467 216 S N -0.837 114.825 115.700 -0.063 0.000 2.548 216 S HA 0.013 4.483 4.470 0.001 0.000 0.215 216 S C 1.013 175.616 174.600 0.005 0.000 0.976 216 S CA -0.597 57.590 58.200 -0.020 0.000 0.908 216 S CB -0.206 63.005 63.200 0.018 0.000 0.781 216 S HN 0.287 nan 8.310 nan 0.000 0.519 217 C N 2.807 122.104 119.300 -0.005 0.000 2.641 217 C HA 0.451 4.911 4.460 0.001 0.000 0.412 217 C C 1.896 176.920 174.990 0.056 0.000 1.312 217 C CA 0.772 59.843 59.018 0.089 0.000 1.838 217 C CB 0.507 28.344 27.740 0.162 0.000 2.682 217 C HN 0.710 nan 8.230 nan 0.000 0.627 218 S N 1.669 117.507 115.700 0.231 0.000 2.648 218 S HA 0.205 4.676 4.470 0.001 0.000 0.270 218 S C 0.230 175.042 174.600 0.354 0.000 1.080 218 S CA 0.586 58.992 58.200 0.343 0.000 1.159 218 S CB -0.039 63.283 63.200 0.203 0.000 1.091 218 S HN 1.072 nan 8.310 nan 0.000 0.605 219 T N -1.438 113.273 114.554 0.261 0.000 2.916 219 T HA 0.838 5.188 4.350 0.001 0.000 0.292 219 T C 1.200 175.974 174.700 0.123 0.000 1.064 219 T CA -0.170 62.026 62.100 0.159 0.000 1.011 219 T CB 1.314 70.252 68.868 0.117 0.000 1.152 219 T HN 0.293 nan 8.240 nan 0.000 0.510 220 A N 0.881 123.742 122.820 0.070 0.000 1.969 220 A HA 0.005 4.326 4.320 0.001 0.000 0.218 220 A C 2.321 179.869 177.584 -0.061 0.000 1.169 220 A CA 1.691 53.749 52.037 0.035 0.000 0.635 220 A CB -0.842 18.241 19.000 0.137 0.000 0.810 220 A HN 0.846 nan 8.150 nan 0.000 0.445 221 R N 0.504 121.034 120.500 0.050 0.000 2.096 221 R HA -0.099 4.242 4.340 0.001 0.000 0.235 221 R C 1.790 178.073 176.300 -0.028 0.000 1.127 221 R CA 2.070 58.158 56.100 -0.020 0.000 0.968 221 R CB -0.542 29.849 30.300 0.151 0.000 0.861 221 R HN 0.665 nan 8.270 nan 0.000 0.440 222 E N -0.332 119.887 120.200 0.032 0.000 2.106 222 E HA -0.175 4.176 4.350 0.001 0.000 0.192 222 E C 2.022 178.693 176.600 0.120 0.000 0.984 222 E CA 1.615 58.042 56.400 0.045 0.000 0.806 222 E CB -0.127 29.659 29.700 0.143 0.000 0.750 222 E HN 0.375 nan 8.360 nan 0.000 0.458 223 M N 0.059 119.729 119.600 0.115 0.000 2.080 223 M HA -0.178 4.303 4.480 0.001 0.000 0.260 223 M C 2.249 178.605 176.300 0.093 0.000 1.068 223 M CA 1.363 56.721 55.300 0.096 0.000 1.109 223 M CB -0.373 32.068 32.600 -0.266 0.000 1.342 223 M HN 0.129 nan 8.290 nan 0.000 0.405 224 F N 1.574 121.335 119.950 -0.316 0.000 2.095 224 F HA -0.228 4.300 4.527 0.001 0.000 0.298 224 F C 2.072 177.745 175.800 -0.213 0.000 1.104 224 F CA 1.910 59.659 58.000 -0.417 0.000 1.232 224 F CB -0.439 37.959 39.000 -1.003 0.000 0.987 224 F HN 0.165 nan 8.300 nan 0.000 0.475 225 E N -1.218 118.760 120.200 -0.370 0.000 2.150 225 E HA -0.212 4.139 4.350 0.001 0.000 0.193 225 E C 2.155 178.542 176.600 -0.356 0.000 0.985 225 E CA 1.104 57.227 56.400 -0.462 0.000 0.814 225 E CB -0.353 29.150 29.700 -0.329 0.000 0.752 225 E HN 0.551 nan 8.360 nan 0.000 0.466 226 H N 0.373 119.373 119.070 -0.117 0.000 2.357 226 H HA -0.042 4.515 4.556 0.001 0.000 0.301 226 H C 2.272 177.523 175.328 -0.129 0.000 1.082 226 H CA 0.975 56.962 56.048 -0.101 0.000 1.342 226 H CB -0.049 29.757 29.762 0.073 0.000 1.389 226 H HN 0.175 nan 8.280 nan 0.000 0.511 227 I N -0.024 120.591 120.570 0.075 0.000 2.226 227 I HA -0.287 3.884 4.170 0.001 0.000 0.245 227 I C 2.607 178.653 176.117 -0.119 0.000 1.100 227 I CA 0.760 62.064 61.300 0.008 0.000 1.374 227 I CB -0.187 37.839 38.000 0.043 0.000 1.057 227 I HN 0.215 nan 8.210 nan 0.000 0.413 228 C N 0.169 119.302 119.300 -0.279 0.000 2.425 228 C HA -0.152 4.308 4.460 0.001 0.000 0.277 228 C C 2.958 177.839 174.990 -0.182 0.000 1.280 228 C CA 0.826 59.672 59.018 -0.286 0.000 1.744 228 C CB -1.170 26.277 27.740 -0.489 0.000 1.989 228 C HN 0.462 nan 8.230 nan 0.000 0.491 229 R N -0.076 120.294 120.500 -0.218 0.000 2.081 229 R HA -0.167 4.174 4.340 0.001 0.000 0.235 229 R C 2.170 178.351 176.300 -0.198 0.000 1.131 229 R CA 1.858 57.821 56.100 -0.229 0.000 0.960 229 R CB -0.621 29.469 30.300 -0.349 0.000 0.856 229 R HN 0.771 nan 8.270 nan 0.000 0.436 230 H N -0.434 118.430 119.070 -0.342 0.000 2.270 230 H HA -0.103 4.453 4.556 0.001 0.000 0.299 230 H C 2.006 177.356 175.328 0.037 0.000 1.077 230 H CA 1.906 57.842 56.048 -0.186 0.000 1.294 230 H CB 0.106 29.797 29.762 -0.118 0.000 1.371 230 H HN 0.039 nan 8.280 nan 0.000 0.491 231 V N 1.046 121.048 119.914 0.147 0.000 2.332 231 V HA -0.296 3.824 4.120 0.001 0.000 0.248 231 V C 2.623 178.782 176.094 0.109 0.000 1.055 231 V CA 2.270 64.623 62.300 0.088 0.000 1.038 231 V CB -0.651 31.160 31.823 -0.019 0.000 0.651 231 V HN 0.426 nan 8.190 nan 0.000 0.450 232 R N -1.097 119.448 120.500 0.075 0.000 2.070 232 R HA -0.225 4.116 4.340 0.001 0.000 0.233 232 R C 2.421 178.790 176.300 0.115 0.000 1.137 232 R CA 2.225 58.365 56.100 0.066 0.000 0.945 232 R CB -0.526 29.793 30.300 0.031 0.000 0.845 232 R HN 0.598 nan 8.270 nan 0.000 0.430 233 Y N 0.956 121.299 120.300 0.072 0.000 2.097 233 Y HA -0.234 4.316 4.550 0.001 0.000 0.282 233 Y C 2.351 178.340 175.900 0.148 0.000 1.152 233 Y CA 2.290 60.468 58.100 0.131 0.000 1.136 233 Y CB -0.355 38.249 38.460 0.241 0.000 0.975 233 Y HN 0.059 nan 8.280 nan 0.000 0.498 234 S N -0.718 115.129 115.700 0.244 0.000 2.383 234 S HA -0.170 4.301 4.470 0.001 0.000 0.227 234 S C 1.893 176.532 174.600 0.065 0.000 1.026 234 S CA 1.614 59.911 58.200 0.161 0.000 0.981 234 S CB -0.590 62.826 63.200 0.360 0.000 0.818 234 S HN 0.579 nan 8.310 nan 0.000 0.472 235 T N 1.773 116.372 114.554 0.074 0.000 2.788 235 T HA -0.077 4.273 4.350 0.001 0.000 0.268 235 T C 0.974 175.677 174.700 0.006 0.000 1.044 235 T CA 1.044 63.179 62.100 0.057 0.000 1.139 235 T CB -0.626 68.275 68.868 0.054 0.000 0.867 235 T HN 0.480 nan 8.240 nan 0.000 0.454 236 N N 1.447 120.122 118.700 -0.042 0.000 2.702 236 N HA -0.270 4.470 4.740 0.001 0.000 0.255 236 N C 0.056 175.540 175.510 -0.043 0.000 0.983 236 N CA 0.954 53.956 53.050 -0.079 0.000 0.768 236 N CB -1.848 36.544 38.487 -0.157 0.000 0.918 236 N HN 0.457 nan 8.380 nan 0.000 0.540 237 N N -1.781 116.907 118.700 -0.020 0.000 2.753 237 N HA -0.206 4.535 4.740 0.001 0.000 0.251 237 N C 0.899 176.398 175.510 -0.018 0.000 1.097 237 N CA 2.424 55.464 53.050 -0.017 0.000 0.786 237 N CB -1.212 37.262 38.487 -0.022 0.000 1.137 237 N HN 1.157 nan 8.380 nan 0.000 0.566 238 G N -1.110 107.686 108.800 -0.006 0.000 2.253 238 G HA2 -0.296 3.665 3.960 0.001 0.000 0.209 238 G HA3 -0.296 3.665 3.960 0.001 0.000 0.209 238 G C -0.016 174.880 174.900 -0.006 0.000 0.997 238 G CA 0.126 45.225 45.100 -0.000 0.000 0.640 238 G HN 0.628 nan 8.290 nan 0.000 0.496 239 N N 1.930 120.611 118.700 -0.031 0.000 3.083 239 N HA 0.395 5.136 4.740 0.001 0.000 0.260 239 N C 0.835 176.318 175.510 -0.046 0.000 1.163 239 N CA -0.643 52.370 53.050 -0.063 0.000 1.060 239 N CB -0.244 38.200 38.487 -0.071 0.000 1.345 239 N HN 0.276 nan 8.380 nan 0.000 0.515 240 I N 1.671 122.242 120.570 0.002 0.000 2.845 240 I HA -0.049 4.122 4.170 0.001 0.000 0.296 240 I C 0.821 177.051 176.117 0.189 0.000 1.216 240 I CA 0.724 62.096 61.300 0.120 0.000 1.438 240 I CB -0.211 37.954 38.000 0.275 0.000 1.342 240 I HN 0.397 nan 8.210 nan 0.000 0.577 241 R N 3.654 124.262 120.500 0.181 0.000 2.686 241 R HA 0.469 4.809 4.340 0.001 0.000 0.286 241 R C -0.518 175.944 176.300 0.271 0.000 0.969 241 R CA -0.728 55.502 56.100 0.216 0.000 0.898 241 R CB 2.037 32.322 30.300 -0.026 0.000 1.183 241 R HN 0.558 nan 8.270 nan 0.000 0.456 242 S N 1.005 116.856 115.700 0.252 0.000 2.565 242 S HA 0.670 5.141 4.470 0.001 0.000 0.274 242 S C -0.469 174.194 174.600 0.105 0.000 1.309 242 S CA -0.478 57.781 58.200 0.097 0.000 1.043 242 S CB 1.544 64.716 63.200 -0.047 0.000 0.939 242 S HN 0.706 nan 8.310 nan 0.000 0.504 243 A N 2.211 125.061 122.820 0.049 0.000 2.601 243 A HA 0.810 5.131 4.320 0.001 0.000 0.291 243 A C -1.466 176.086 177.584 -0.053 0.000 1.075 243 A CA -0.640 51.348 52.037 -0.082 0.000 0.671 243 A CB 1.060 19.974 19.000 -0.145 0.000 1.277 243 A HN 0.801 nan 8.150 nan 0.000 0.417 244 I N 0.232 120.718 120.570 -0.140 0.000 2.722 244 I HA 0.674 4.845 4.170 0.001 0.000 0.295 244 I C -1.109 174.999 176.117 -0.016 0.000 1.161 244 I CA -0.162 61.164 61.300 0.043 0.000 1.032 244 I CB 2.462 40.455 38.000 -0.012 0.000 1.244 244 I HN 0.619 nan 8.210 nan 0.000 0.421 245 T N 5.993 120.588 114.554 0.069 0.000 2.792 245 T HA 0.489 4.840 4.350 0.001 0.000 0.280 245 T C -0.874 173.612 174.700 -0.356 0.000 0.990 245 T CA -0.369 61.656 62.100 -0.125 0.000 0.960 245 T CB 1.624 70.421 68.868 -0.120 0.000 0.939 245 T HN 0.256 nan 8.240 nan 0.000 0.439 246 V N 4.878 124.531 119.914 -0.435 0.000 2.347 246 V HA 0.508 4.629 4.120 0.001 0.000 0.280 246 V C -0.426 175.395 176.094 -0.455 0.000 1.021 246 V CA -0.788 61.280 62.300 -0.387 0.000 0.847 246 V CB 0.409 32.005 31.823 -0.378 0.000 0.990 246 V HN 0.778 nan 8.190 nan 0.000 0.444 247 F N 4.647 124.602 119.950 0.008 0.000 2.364 247 F HA 0.496 5.023 4.527 0.001 0.000 0.316 247 F C -1.767 174.016 175.800 -0.029 0.000 1.133 247 F CA -2.406 55.555 58.000 -0.065 0.000 1.051 247 F CB 0.551 39.557 39.000 0.010 0.000 1.342 247 F HN 0.296 nan 8.300 nan 0.000 0.507 248 P HA -0.055 nan 4.420 nan 0.000 0.266 248 P C -1.217 176.094 177.300 0.018 0.000 1.186 248 P CA 0.017 63.029 63.100 -0.146 0.000 0.767 248 P CB 0.242 31.595 31.700 -0.579 0.000 0.820 249 Q N 2.727 122.437 119.800 -0.151 0.000 2.368 249 Q HA 0.191 4.532 4.340 0.001 0.000 0.237 249 Q C 0.067 175.921 176.000 -0.244 0.000 0.987 249 Q CA -0.699 54.762 55.803 -0.570 0.000 0.896 249 Q CB 0.820 28.939 28.738 -1.032 0.000 1.241 249 Q HN 0.307 nan 8.270 nan 0.000 0.485 250 R N 1.035 121.393 120.500 -0.237 0.000 2.537 250 R HA 0.026 4.366 4.340 0.001 0.000 0.280 250 R C 0.156 176.406 176.300 -0.084 0.000 1.058 250 R CA 0.714 56.769 56.100 -0.075 0.000 1.057 250 R CB 0.604 30.866 30.300 -0.063 0.000 0.973 250 R HN 0.968 nan 8.270 nan 0.000 0.438 251 S N 2.354 118.050 115.700 -0.007 0.000 2.755 251 S HA -0.035 4.436 4.470 0.001 0.000 0.165 251 S C 0.853 175.456 174.600 0.006 0.000 0.723 251 S CA 0.245 58.434 58.200 -0.018 0.000 0.867 251 S CB -0.131 63.058 63.200 -0.019 0.000 0.740 251 S HN 0.811 nan 8.310 nan 0.000 0.568 252 D N 0.299 120.731 120.400 0.054 0.000 2.349 252 D HA 0.265 4.906 4.640 0.001 0.000 0.214 252 D C 1.371 177.711 176.300 0.067 0.000 1.063 252 D CA 0.739 54.776 54.000 0.062 0.000 0.847 252 D CB -0.229 40.625 40.800 0.090 0.000 0.933 252 D HN 0.927 nan 8.370 nan 0.000 0.513 253 G N 1.047 109.892 108.800 0.075 0.000 2.179 253 G HA2 -0.341 3.620 3.960 0.001 0.000 0.260 253 G HA3 -0.341 3.620 3.960 0.001 0.000 0.260 253 G C 0.917 175.842 174.900 0.041 0.000 0.977 253 G CA 0.433 45.560 45.100 0.046 0.000 0.641 253 G HN 0.462 nan 8.290 nan 0.000 0.533 254 K N -0.224 120.227 120.400 0.085 0.000 2.358 254 K HA 0.226 4.547 4.320 0.001 0.000 0.200 254 K C 0.492 176.915 176.600 -0.295 0.000 1.030 254 K CA -0.064 56.184 56.287 -0.066 0.000 1.097 254 K CB 0.384 32.842 32.500 -0.071 0.000 0.862 254 K HN 0.573 nan 8.250 nan 0.000 0.534 255 H N 0.826 119.899 119.070 0.006 0.000 2.676 255 H HA 0.166 4.723 4.556 0.001 0.000 0.238 255 H C -0.894 174.434 175.328 -0.001 0.000 1.276 255 H CA -0.633 55.408 56.048 -0.013 0.000 0.983 255 H CB 0.489 30.274 29.762 0.039 0.000 2.000 255 H HN 0.037 nan 8.280 nan 0.000 0.584 256 D N 0.761 121.195 120.400 0.057 0.000 2.414 256 D HA 0.046 4.687 4.640 0.001 0.000 0.242 256 D C -0.027 176.276 176.300 0.004 0.000 1.129 256 D CA 0.466 54.529 54.000 0.105 0.000 0.885 256 D CB 0.717 41.565 40.800 0.080 0.000 1.198 256 D HN 0.109 nan 8.370 nan 0.000 0.437 257 F N 2.123 122.114 119.950 0.068 0.000 2.361 257 F HA 0.389 4.917 4.527 0.001 0.000 0.364 257 F C 0.888 176.716 175.800 0.047 0.000 1.120 257 F CA -0.445 57.565 58.000 0.016 0.000 1.102 257 F CB 0.813 39.823 39.000 0.017 0.000 1.183 257 F HN -0.088 nan 8.300 nan 0.000 0.476 258 R N 1.597 122.175 120.500 0.131 0.000 2.771 258 R HA 0.735 5.076 4.340 0.001 0.000 0.274 258 R C -1.670 174.751 176.300 0.202 0.000 0.987 258 R CA -1.191 55.026 56.100 0.195 0.000 0.908 258 R CB 2.730 33.167 30.300 0.229 0.000 1.213 258 R HN 0.251 nan 8.270 nan 0.000 0.468 259 V N 2.044 122.092 119.914 0.224 0.000 2.347 259 V HA 0.120 4.241 4.120 0.001 0.000 0.280 259 V C 0.004 176.311 176.094 0.356 0.000 1.021 259 V CA -0.467 61.963 62.300 0.215 0.000 0.847 259 V CB 1.104 33.009 31.823 0.136 0.000 0.990 259 V HN 0.801 nan 8.190 nan 0.000 0.444 260 W N 2.190 123.550 121.300 0.100 0.000 2.402 260 W HA 0.001 4.663 4.660 0.002 0.000 0.286 260 W C 1.048 177.656 176.519 0.148 0.000 1.221 260 W CA -0.266 57.211 57.345 0.220 0.000 1.257 260 W CB -0.725 28.976 29.460 0.401 0.000 1.120 260 W HN 0.526 nan 8.180 nan 0.000 0.551 261 N N 0.179 118.988 118.700 0.182 0.000 2.454 261 N HA 0.200 4.941 4.740 0.001 0.000 0.254 261 N C 1.120 176.513 175.510 -0.195 0.000 1.228 261 N CA 0.811 53.683 53.050 -0.297 0.000 0.900 261 N CB 0.587 38.947 38.487 -0.212 0.000 1.089 261 N HN -0.036 nan 8.380 nan 0.000 0.449 262 A N 1.440 124.094 122.820 -0.277 0.000 1.968 262 A HA -0.062 4.259 4.320 0.001 0.000 0.217 262 A C 0.323 177.814 177.584 -0.155 0.000 1.169 262 A CA 1.359 53.308 52.037 -0.146 0.000 0.638 262 A CB -0.036 18.905 19.000 -0.099 0.000 0.812 262 A HN 0.704 nan 8.150 nan 0.000 0.446 263 Q N -2.162 117.524 119.800 -0.190 0.000 2.484 263 Q HA 0.625 4.966 4.340 0.001 0.000 0.285 263 Q C 0.498 176.366 176.000 -0.221 0.000 1.097 263 Q CA -0.500 55.185 55.803 -0.195 0.000 0.802 263 Q CB 1.629 30.281 28.738 -0.144 0.000 1.444 263 Q HN 0.166 nan 8.270 nan 0.000 0.429 264 L N 0.048 121.131 121.223 -0.234 0.000 2.109 264 L HA 0.136 4.477 4.340 0.001 0.000 0.207 264 L C 0.203 176.914 176.870 -0.265 0.000 1.086 264 L CA 1.140 55.851 54.840 -0.215 0.000 0.760 264 L CB 0.084 42.008 42.059 -0.225 0.000 0.910 264 L HN 0.512 nan 8.230 nan 0.000 0.437 265 I N -0.523 119.807 120.570 -0.399 0.000 2.436 265 I HA 0.397 4.567 4.170 0.001 0.000 0.289 265 I C -0.439 175.082 176.117 -0.993 0.000 1.010 265 I CA -0.592 60.314 61.300 -0.656 0.000 1.098 265 I CB 1.972 39.521 38.000 -0.751 0.000 1.266 265 I HN -0.028 nan 8.210 nan 0.000 0.434 266 R N 4.713 124.738 120.500 -0.792 0.000 2.663 266 R HA 0.479 4.819 4.340 0.001 0.000 0.267 266 R C -2.027 174.063 176.300 -0.350 0.000 1.038 266 R CA -0.707 55.058 56.100 -0.559 0.000 0.886 266 R CB 1.158 31.325 30.300 -0.222 0.000 1.249 266 R HN 0.295 nan 8.270 nan 0.000 0.463 267 Y N 1.140 121.457 120.300 0.029 0.000 2.335 267 Y HA 0.668 5.219 4.550 0.001 0.000 0.323 267 Y C 0.907 176.839 175.900 0.053 0.000 1.224 267 Y CA -0.239 57.914 58.100 0.088 0.000 1.241 267 Y CB 1.310 39.911 38.460 0.236 0.000 1.235 267 Y HN 0.758 nan 8.280 nan 0.000 0.492 268 A N 0.853 123.780 122.820 0.179 0.000 2.346 268 A HA 0.653 4.974 4.320 0.001 0.000 0.252 268 A C 0.381 177.850 177.584 -0.193 0.000 1.089 268 A CA 0.222 52.184 52.037 -0.125 0.000 0.797 268 A CB -0.219 18.576 19.000 -0.343 0.000 1.047 268 A HN 0.916 nan 8.150 nan 0.000 0.494 269 G N -0.423 108.164 108.800 -0.355 0.000 2.666 269 G HA2 0.572 4.533 3.960 0.001 0.000 0.303 269 G HA3 0.572 4.533 3.960 0.001 0.000 0.303 269 G C -1.399 173.324 174.900 -0.294 0.000 1.412 269 G CA -0.252 44.722 45.100 -0.209 0.000 0.979 269 G HN 0.511 nan 8.290 nan 0.000 0.507 270 Y N 0.554 120.898 120.300 0.073 0.000 2.364 270 Y HA 0.472 5.023 4.550 0.001 0.000 0.340 270 Y C 0.463 176.419 175.900 0.093 0.000 0.975 270 Y CA -0.873 57.286 58.100 0.099 0.000 1.089 270 Y CB 2.364 40.920 38.460 0.160 0.000 1.192 270 Y HN 0.431 nan 8.280 nan 0.000 0.454 271 Q N 4.006 123.951 119.800 0.240 0.000 2.296 271 Q HA 0.352 4.692 4.340 0.001 0.000 0.257 271 Q C -0.764 175.329 176.000 0.154 0.000 0.942 271 Q CA -0.730 55.163 55.803 0.150 0.000 0.939 271 Q CB 0.728 29.525 28.738 0.099 0.000 1.198 271 Q HN 0.606 nan 8.270 nan 0.000 0.429 272 M N 4.437 124.099 119.600 0.103 0.000 2.227 272 M HA 0.209 4.689 4.480 0.001 0.000 0.316 272 M C -1.627 174.681 176.300 0.012 0.000 1.144 272 M CA -2.389 52.938 55.300 0.044 0.000 1.121 272 M CB -0.351 32.256 32.600 0.011 0.000 1.440 272 M HN 0.399 nan 8.290 nan 0.000 0.473 273 P HA -0.195 nan 4.420 nan 0.000 0.217 273 P C 0.552 177.841 177.300 -0.017 0.000 1.151 273 P CA 1.481 64.565 63.100 -0.028 0.000 0.849 273 P CB -0.053 31.612 31.700 -0.058 0.000 0.787 274 D N -1.921 118.467 120.400 -0.019 0.000 2.336 274 D HA 0.036 4.677 4.640 0.001 0.000 0.229 274 D C 1.409 177.709 176.300 -0.001 0.000 1.061 274 D CA 0.731 54.723 54.000 -0.013 0.000 0.875 274 D CB -0.839 39.950 40.800 -0.018 0.000 0.904 274 D HN 0.271 nan 8.370 nan 0.000 0.525 275 G N 0.421 109.226 108.800 0.008 0.000 2.225 275 G HA2 -0.322 3.639 3.960 0.001 0.000 0.254 275 G HA3 -0.322 3.639 3.960 0.001 0.000 0.254 275 G C 0.489 175.402 174.900 0.021 0.000 0.988 275 G CA 0.534 45.644 45.100 0.016 0.000 0.625 275 G HN 0.815 nan 8.290 nan 0.000 0.527 276 S N 0.467 116.178 115.700 0.018 0.000 2.600 276 S HA 0.711 5.182 4.470 0.001 0.000 0.265 276 S C 0.245 174.868 174.600 0.038 0.000 1.325 276 S CA -0.463 57.749 58.200 0.020 0.000 1.002 276 S CB 1.548 64.755 63.200 0.011 0.000 0.921 276 S HN 0.502 nan 8.310 nan 0.000 0.554 277 I N 1.265 121.855 120.570 0.033 0.000 2.441 277 I HA 0.499 4.670 4.170 0.001 0.000 0.295 277 I C 0.308 176.450 176.117 0.043 0.000 0.994 277 I CA -0.495 60.833 61.300 0.046 0.000 1.144 277 I CB 1.632 39.642 38.000 0.018 0.000 1.314 277 I HN 0.852 nan 8.210 nan 0.000 0.445 278 R N 3.396 123.957 120.500 0.101 0.000 2.534 278 R HA 0.666 5.006 4.340 0.001 0.000 0.301 278 R C 0.165 176.534 176.300 0.114 0.000 0.961 278 R CA 0.199 56.360 56.100 0.101 0.000 0.871 278 R CB 1.707 32.101 30.300 0.157 0.000 1.170 278 R HN 0.907 nan 8.270 nan 0.000 0.446 279 G N 2.727 111.511 108.800 -0.026 0.000 2.466 279 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 279 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 279 G C -1.236 173.454 174.900 -0.349 0.000 1.237 279 G CA -0.020 45.035 45.100 -0.075 0.000 0.954 279 G HN 0.649 nan 8.290 nan 0.000 0.580 280 D N 2.369 122.685 120.400 -0.140 0.000 2.393 280 D HA 0.454 5.095 4.640 0.001 0.000 0.232 280 D C -0.362 175.898 176.300 -0.066 0.000 1.192 280 D CA -1.639 52.276 54.000 -0.140 0.000 0.882 280 D CB 1.249 42.242 40.800 0.322 0.000 1.038 280 D HN 0.085 nan 8.370 nan 0.000 0.499 281 P HA -0.115 nan 4.420 nan 0.000 0.221 281 P C 0.816 178.131 177.300 0.026 0.000 1.145 281 P CA 0.560 63.642 63.100 -0.029 0.000 0.795 281 P CB 0.241 31.919 31.700 -0.035 0.000 0.775 282 A N -0.540 122.315 122.820 0.059 0.000 2.206 282 A HA -0.041 4.280 4.320 0.001 0.000 0.211 282 A C 1.843 179.488 177.584 0.102 0.000 1.158 282 A CA 0.557 52.647 52.037 0.089 0.000 0.761 282 A CB -1.227 17.842 19.000 0.115 0.000 0.801 282 A HN 0.237 nan 8.150 nan 0.000 0.473 283 N N -0.273 118.483 118.700 0.092 0.000 2.234 283 N HA 0.144 4.885 4.740 0.001 0.000 0.227 283 N C 0.774 176.316 175.510 0.054 0.000 1.151 283 N CA 0.029 53.138 53.050 0.098 0.000 0.865 283 N CB 0.408 38.962 38.487 0.111 0.000 1.066 283 N HN 0.130 nan 8.380 nan 0.000 0.515 284 V N 0.832 120.766 119.914 0.033 0.000 2.295 284 V HA -0.206 3.915 4.120 0.001 0.000 0.246 284 V C 2.310 178.401 176.094 -0.006 0.000 1.049 284 V CA 1.714 64.016 62.300 0.002 0.000 1.024 284 V CB -0.446 31.391 31.823 0.022 0.000 0.648 284 V HN 0.442 nan 8.190 nan 0.000 0.447 285 E N -0.323 119.890 120.200 0.022 0.000 2.058 285 E HA -0.286 4.064 4.350 0.001 0.000 0.194 285 E C 2.122 178.643 176.600 -0.131 0.000 0.997 285 E CA 1.857 58.246 56.400 -0.018 0.000 0.801 285 E CB -0.215 29.519 29.700 0.056 0.000 0.746 285 E HN 0.550 nan 8.360 nan 0.000 0.450 286 F N 1.191 120.995 119.950 -0.242 0.000 2.186 286 F HA -0.111 4.416 4.527 0.001 0.000 0.299 286 F C 2.286 177.926 175.800 -0.266 0.000 1.090 286 F CA 1.715 59.488 58.000 -0.379 0.000 1.307 286 F CB -0.381 38.454 39.000 -0.276 0.000 1.019 286 F HN -0.031 nan 8.300 nan 0.000 0.489 287 T N -0.260 114.189 114.554 -0.174 0.000 2.788 287 T HA -0.241 4.110 4.350 0.001 0.000 0.268 287 T C 1.745 176.325 174.700 -0.199 0.000 1.044 287 T CA 1.545 63.506 62.100 -0.232 0.000 1.139 287 T CB -0.307 68.440 68.868 -0.201 0.000 0.867 287 T HN 0.242 nan 8.240 nan 0.000 0.454 288 Q N 0.860 120.564 119.800 -0.161 0.000 2.084 288 Q HA -0.055 4.285 4.340 0.001 0.000 0.202 288 Q C 2.110 178.003 176.000 -0.178 0.000 0.978 288 Q CA 1.213 56.953 55.803 -0.106 0.000 0.844 288 Q CB -0.745 27.946 28.738 -0.079 0.000 0.898 288 Q HN 0.438 nan 8.270 nan 0.000 0.426 289 L N -0.343 120.681 121.223 -0.332 0.000 2.042 289 L HA -0.178 4.162 4.340 0.001 0.000 0.210 289 L C 2.129 178.795 176.870 -0.340 0.000 1.076 289 L CA 1.899 56.516 54.840 -0.370 0.000 0.749 289 L CB -0.945 40.755 42.059 -0.598 0.000 0.893 289 L HN 0.403 nan 8.230 nan 0.000 0.432 290 C N -0.597 118.422 119.300 -0.467 0.000 2.422 290 C HA -0.103 4.358 4.460 0.001 0.000 0.279 290 C C 2.715 177.696 174.990 -0.015 0.000 1.305 290 C CA 0.767 59.596 59.018 -0.316 0.000 1.757 290 C CB -0.976 26.486 27.740 -0.463 0.000 1.962 290 C HN 0.590 nan 8.230 nan 0.000 0.499 291 I N 1.061 121.654 120.570 0.038 0.000 2.202 291 I HA -0.162 4.008 4.170 0.001 0.000 0.242 291 I C 2.023 178.140 176.117 -0.001 0.000 1.091 291 I CA 1.527 62.883 61.300 0.094 0.000 1.368 291 I CB -0.503 37.548 38.000 0.086 0.000 1.058 291 I HN 0.244 nan 8.210 nan 0.000 0.410 292 D N 0.701 121.068 120.400 -0.055 0.000 2.265 292 D HA -0.114 4.527 4.640 0.001 0.000 0.208 292 D C 1.928 178.172 176.300 -0.092 0.000 0.977 292 D CA 1.137 55.087 54.000 -0.083 0.000 0.871 292 D CB -0.084 40.646 40.800 -0.116 0.000 0.925 292 D HN 0.337 nan 8.370 nan 0.000 0.485 293 L N -1.168 120.006 121.223 -0.081 0.000 2.592 293 L HA 0.252 4.593 4.340 0.001 0.000 0.227 293 L C 1.440 178.280 176.870 -0.050 0.000 1.127 293 L CA 0.321 55.117 54.840 -0.074 0.000 0.884 293 L CB 0.295 42.304 42.059 -0.083 0.000 1.065 293 L HN 0.142 nan 8.230 nan 0.000 0.457 294 G N -1.310 107.478 108.800 -0.020 0.000 2.192 294 G HA2 -0.269 3.691 3.960 0.001 0.000 0.193 294 G HA3 -0.269 3.691 3.960 0.001 0.000 0.193 294 G C -0.219 174.706 174.900 0.041 0.000 0.999 294 G CA -0.538 44.555 45.100 -0.013 0.000 0.659 294 G HN 0.232 nan 8.290 nan 0.000 0.503 295 W N 3.424 124.653 121.300 -0.118 0.000 2.190 295 W HA 0.650 5.311 4.660 0.001 0.000 0.330 295 W C 0.041 176.514 176.519 -0.078 0.000 1.299 295 W CA -0.580 56.703 57.345 -0.102 0.000 1.215 295 W CB 0.743 30.137 29.460 -0.111 0.000 1.147 295 W HN -0.109 nan 8.180 nan 0.000 0.563 296 K N 8.408 128.352 120.400 -0.761 0.000 2.267 296 K HA 0.245 4.566 4.320 0.001 0.000 0.282 296 K C -2.258 173.595 176.600 -1.245 0.000 1.078 296 K CA -2.059 53.791 56.287 -0.727 0.000 0.903 296 K CB 0.264 32.484 32.500 -0.466 0.000 1.111 296 K HN 0.328 nan 8.250 nan 0.000 0.475 297 P HA 0.122 nan 4.420 nan 0.000 0.269 297 P C -0.371 176.400 177.300 -0.881 0.000 1.209 297 P CA -0.175 62.341 63.100 -0.973 0.000 0.776 297 P CB 0.847 32.104 31.700 -0.739 0.000 0.876 298 K N 0.598 120.559 120.400 -0.732 0.000 2.402 298 K HA 0.146 4.467 4.320 0.001 0.000 0.204 298 K C -0.290 176.085 176.600 -0.374 0.000 1.056 298 K CA -0.146 55.904 56.287 -0.396 0.000 1.069 298 K CB -0.232 32.186 32.500 -0.137 0.000 0.888 298 K HN 0.251 nan 8.250 nan 0.000 0.546 299 Y N -0.166 119.613 120.300 -0.868 0.000 3.396 299 Y HA -0.291 4.260 4.550 0.001 0.000 0.214 299 Y C 0.803 176.512 175.900 -0.318 0.000 1.203 299 Y CA 0.568 58.103 58.100 -0.942 0.000 1.401 299 Y CB -2.266 35.864 38.460 -0.549 0.000 1.409 299 Y HN 0.197 nan 8.280 nan 0.000 0.594 300 G N -0.314 108.490 108.800 0.008 0.000 2.522 300 G HA2 0.448 4.409 3.960 0.001 0.000 0.304 300 G HA3 0.448 4.409 3.960 0.001 0.000 0.304 300 G C 0.656 175.653 174.900 0.160 0.000 1.210 300 G CA -0.370 44.800 45.100 0.117 0.000 0.960 300 G HN 0.337 nan 8.290 nan 0.000 0.497 301 R N -1.275 119.227 120.500 0.004 0.000 2.173 301 R HA 0.174 4.515 4.340 0.001 0.000 0.208 301 R C -0.003 175.941 176.300 -0.594 0.000 1.035 301 R CA 0.656 56.595 56.100 -0.269 0.000 1.004 301 R CB -0.004 30.048 30.300 -0.413 0.000 0.917 301 R HN 0.363 nan 8.270 nan 0.000 0.462 302 F N 1.095 121.014 119.950 -0.052 0.000 2.577 302 F HA 0.315 4.843 4.527 0.001 0.000 0.342 302 F C -1.120 174.580 175.800 -0.166 0.000 1.479 302 F CA -1.241 56.444 58.000 -0.526 0.000 1.110 302 F CB 0.772 39.298 39.000 -0.791 0.000 1.306 302 F HN -0.228 nan 8.300 nan 0.000 0.554 303 D N 1.383 121.957 120.400 0.289 0.000 2.249 303 D HA 0.237 4.878 4.640 0.001 0.000 0.246 303 D C 0.135 176.710 176.300 0.458 0.000 1.114 303 D CA -0.063 54.182 54.000 0.408 0.000 0.854 303 D CB 2.626 43.730 40.800 0.507 0.000 1.132 303 D HN -0.068 nan 8.370 nan 0.000 0.461 304 V N 3.031 123.176 119.914 0.384 0.000 2.479 304 V HA 0.038 4.159 4.120 0.001 0.000 0.281 304 V C 0.918 177.010 176.094 -0.004 0.000 1.031 304 V CA -0.539 61.865 62.300 0.172 0.000 1.038 304 V CB 0.932 32.809 31.823 0.090 0.000 0.981 304 V HN 0.352 nan 8.190 nan 0.000 0.478 305 V N 5.382 125.189 119.914 -0.179 0.000 3.051 305 V HA 0.497 4.618 4.120 0.001 0.000 0.306 305 V C -1.693 174.153 176.094 -0.413 0.000 1.083 305 V CA -1.448 60.547 62.300 -0.508 0.000 1.104 305 V CB 0.511 32.124 31.823 -0.350 0.000 1.027 305 V HN 0.756 nan 8.190 nan 0.000 0.483 306 P HA 0.374 nan 4.420 nan 0.000 0.276 306 P C -0.700 176.526 177.300 -0.123 0.000 1.261 306 P CA -0.648 62.260 63.100 -0.320 0.000 0.800 306 P CB 0.967 32.407 31.700 -0.433 0.000 1.066 307 L N 0.648 121.866 121.223 -0.007 0.000 2.349 307 L HA 0.256 4.596 4.340 0.001 0.000 0.275 307 L C 0.127 177.042 176.870 0.074 0.000 1.115 307 L CA -0.747 54.139 54.840 0.077 0.000 0.820 307 L CB 1.014 43.155 42.059 0.138 0.000 1.135 307 L HN 0.086 nan 8.230 nan 0.000 0.445 308 V N 5.696 125.674 119.914 0.106 0.000 2.293 308 V HA 0.338 4.459 4.120 0.001 0.000 0.275 308 V C 0.080 176.110 176.094 -0.108 0.000 1.021 308 V CA -0.348 61.932 62.300 -0.035 0.000 0.815 308 V CB 1.084 32.931 31.823 0.040 0.000 1.025 308 V HN 0.494 nan 8.190 nan 0.000 0.448 309 L N 4.693 125.850 121.223 -0.110 0.000 2.295 309 L HA 0.607 4.948 4.340 0.001 0.000 0.285 309 L C -0.052 176.665 176.870 -0.256 0.000 1.035 309 L CA -0.275 54.496 54.840 -0.116 0.000 0.806 309 L CB 1.694 43.751 42.059 -0.005 0.000 1.214 309 L HN 0.610 nan 8.230 nan 0.000 0.426 310 Q N 2.899 122.549 119.800 -0.250 0.000 2.333 310 Q HA 0.721 5.061 4.340 0.001 0.000 0.265 310 Q C -1.394 174.428 176.000 -0.297 0.000 0.989 310 Q CA -0.592 55.046 55.803 -0.275 0.000 0.842 310 Q CB 2.132 30.799 28.738 -0.120 0.000 1.262 310 Q HN 0.775 nan 8.270 nan 0.000 0.451 311 A N 3.878 126.462 122.820 -0.394 0.000 2.355 311 A HA 0.454 4.775 4.320 0.001 0.000 0.317 311 A C -0.072 176.991 177.584 -0.867 0.000 1.094 311 A CA -0.492 51.084 52.037 -0.768 0.000 0.764 311 A CB 1.079 19.866 19.000 -0.354 0.000 1.230 311 A HN 1.018 nan 8.150 nan 0.000 0.448 312 N N 0.499 118.220 118.700 -1.630 0.000 2.710 312 N HA -0.191 4.550 4.740 0.001 0.000 0.249 312 N C 1.041 176.370 175.510 -0.300 0.000 1.059 312 N CA 2.494 55.153 53.050 -0.651 0.000 0.720 312 N CB -1.059 37.305 38.487 -0.206 0.000 0.983 312 N HN 2.323 nan 8.380 nan 0.000 0.544 313 G N -1.656 106.951 108.800 -0.322 0.000 2.196 313 G HA2 -0.411 3.550 3.960 0.001 0.000 0.268 313 G HA3 -0.411 3.550 3.960 0.001 0.000 0.268 313 G C 0.533 175.353 174.900 -0.133 0.000 0.975 313 G CA 0.891 45.874 45.100 -0.194 0.000 0.648 313 G HN 0.719 nan 8.290 nan 0.000 0.538 314 R N 0.361 120.760 120.500 -0.169 0.000 2.747 314 R HA 0.399 4.740 4.340 0.001 0.000 0.278 314 R C 0.107 176.329 176.300 -0.131 0.000 1.153 314 R CA -0.395 55.639 56.100 -0.111 0.000 1.206 314 R CB 0.255 30.485 30.300 -0.117 0.000 1.161 314 R HN 0.180 nan 8.270 nan 0.000 0.589 315 D N 2.058 122.396 120.400 -0.105 0.000 2.399 315 D HA 0.071 4.712 4.640 0.001 0.000 0.241 315 D C -1.955 174.110 176.300 -0.393 0.000 1.133 315 D CA -0.888 52.965 54.000 -0.246 0.000 0.890 315 D CB 0.357 41.158 40.800 0.002 0.000 1.201 315 D HN 0.260 nan 8.370 nan 0.000 0.432 316 P HA 0.133 nan 4.420 nan 0.000 0.272 316 P C -0.722 176.354 177.300 -0.374 0.000 1.223 316 P CA -0.152 62.536 63.100 -0.685 0.000 0.784 316 P CB 1.127 32.019 31.700 -1.346 0.000 0.923 317 E N 0.829 120.859 120.200 -0.282 0.000 2.238 317 E HA 0.451 4.802 4.350 0.001 0.000 0.267 317 E C -0.541 175.862 176.600 -0.327 0.000 0.887 317 E CA -0.895 55.341 56.400 -0.273 0.000 0.769 317 E CB 1.631 31.209 29.700 -0.203 0.000 1.187 317 E HN 0.365 nan 8.360 nan 0.000 0.416 318 L N 2.671 123.619 121.223 -0.459 0.000 2.357 318 L HA 0.526 4.866 4.340 0.001 0.000 0.273 318 L C -0.768 175.666 176.870 -0.727 0.000 1.080 318 L CA -0.419 54.189 54.840 -0.388 0.000 0.803 318 L CB 0.383 42.286 42.059 -0.259 0.000 1.174 318 L HN 0.469 nan 8.230 nan 0.000 0.443 319 F N 0.074 119.857 119.950 -0.277 0.000 2.588 319 F HA 0.326 4.854 4.527 0.001 0.000 0.318 319 F C -0.078 175.558 175.800 -0.272 0.000 1.155 319 F CA -0.744 56.980 58.000 -0.460 0.000 0.967 319 F CB 1.804 40.254 39.000 -0.916 0.000 1.236 319 F HN 0.400 nan 8.300 nan 0.000 0.455 320 E N 3.597 123.787 120.200 -0.017 0.000 2.266 320 E HA 0.471 4.821 4.350 0.001 0.000 0.277 320 E C -0.525 176.195 176.600 0.199 0.000 1.018 320 E CA -0.687 55.763 56.400 0.083 0.000 0.840 320 E CB 1.996 31.776 29.700 0.133 0.000 1.082 320 E HN 0.449 nan 8.360 nan 0.000 0.395 321 I N 3.610 124.298 120.570 0.197 0.000 2.529 321 I HA 0.110 4.281 4.170 0.001 0.000 0.284 321 I C -2.033 174.194 176.117 0.184 0.000 1.082 321 I CA -2.014 59.428 61.300 0.236 0.000 1.406 321 I CB 0.271 38.340 38.000 0.115 0.000 1.405 321 I HN 0.170 nan 8.210 nan 0.000 0.548 322 P HA 0.074 nan 4.420 nan 0.000 0.263 322 P C -2.059 175.298 177.300 0.094 0.000 1.195 322 P CA -0.841 62.338 63.100 0.133 0.000 0.762 322 P CB 0.163 31.927 31.700 0.107 0.000 0.799 323 P HA -0.208 nan 4.420 nan 0.000 0.218 323 P C 0.943 178.280 177.300 0.062 0.000 1.146 323 P CA 1.341 64.490 63.100 0.082 0.000 0.813 323 P CB -0.160 31.592 31.700 0.086 0.000 0.778 324 D N -0.699 119.734 120.400 0.054 0.000 2.348 324 D HA -0.106 4.535 4.640 0.001 0.000 0.216 324 D C 1.576 177.895 176.300 0.032 0.000 0.970 324 D CA 0.771 54.795 54.000 0.039 0.000 0.889 324 D CB -0.661 40.159 40.800 0.034 0.000 0.912 324 D HN 0.261 nan 8.370 nan 0.000 0.524 325 L N 0.558 121.801 121.223 0.033 0.000 2.509 325 L HA 0.101 4.441 4.340 0.001 0.000 0.222 325 L C 0.476 177.360 176.870 0.023 0.000 1.123 325 L CA 0.027 54.879 54.840 0.021 0.000 0.856 325 L CB 0.547 42.611 42.059 0.008 0.000 0.985 325 L HN -0.147 nan 8.230 nan 0.000 0.456 326 V N 2.132 122.065 119.914 0.032 0.000 2.320 326 V HA 0.145 4.266 4.120 0.001 0.000 0.265 326 V C 0.003 176.126 176.094 0.048 0.000 1.048 326 V CA -0.484 61.836 62.300 0.033 0.000 0.865 326 V CB 1.297 33.141 31.823 0.035 0.000 1.043 326 V HN 0.041 nan 8.190 nan 0.000 0.474 327 L N 5.933 127.186 121.223 0.051 0.000 2.313 327 L HA 0.479 4.820 4.340 0.001 0.000 0.282 327 L C 0.134 177.035 176.870 0.052 0.000 1.092 327 L CA 0.667 55.530 54.840 0.039 0.000 0.831 327 L CB 0.511 42.589 42.059 0.031 0.000 1.159 327 L HN 0.659 nan 8.230 nan 0.000 0.442 328 E N 3.290 123.502 120.200 0.020 0.000 2.299 328 E HA 0.618 4.969 4.350 0.001 0.000 0.265 328 E C -1.423 175.122 176.600 -0.091 0.000 0.911 328 E CA -1.026 55.382 56.400 0.013 0.000 0.789 328 E CB 2.499 32.235 29.700 0.060 0.000 1.246 328 E HN 0.376 nan 8.360 nan 0.000 0.427 329 V N 1.563 121.387 119.914 -0.149 0.000 2.444 329 V HA 0.482 4.603 4.120 0.001 0.000 0.294 329 V C -0.301 175.741 176.094 -0.086 0.000 1.022 329 V CA -0.806 61.349 62.300 -0.240 0.000 0.850 329 V CB 1.398 32.826 31.823 -0.659 0.000 0.992 329 V HN 0.788 nan 8.190 nan 0.000 0.426 330 A N 6.936 129.722 122.820 -0.057 0.000 2.366 330 A HA 0.712 5.033 4.320 0.001 0.000 0.272 330 A C 0.034 177.657 177.584 0.065 0.000 1.135 330 A CA -0.414 51.622 52.037 -0.001 0.000 0.804 330 A CB 0.248 19.247 19.000 -0.001 0.000 1.064 330 A HN 0.707 nan 8.150 nan 0.000 0.499 331 M N 2.440 122.123 119.600 0.138 0.000 2.146 331 M HA 0.365 4.845 4.480 0.001 0.000 0.357 331 M C 0.067 176.560 176.300 0.321 0.000 1.261 331 M CA 0.579 56.035 55.300 0.260 0.000 1.106 331 M CB 0.118 32.961 32.600 0.405 0.000 1.612 331 M HN 0.766 nan 8.290 nan 0.000 0.470 332 E N 0.804 121.159 120.200 0.258 0.000 2.393 332 E HA 0.406 4.756 4.350 0.001 0.000 0.273 332 E C -1.222 175.386 176.600 0.013 0.000 0.918 332 E CA -0.764 55.771 56.400 0.226 0.000 0.773 332 E CB 2.744 32.557 29.700 0.188 0.000 1.275 332 E HN 0.527 nan 8.360 nan 0.000 0.451 333 H N 2.580 121.504 119.070 -0.243 0.000 2.469 333 H HA 0.240 4.796 4.556 0.001 0.000 0.342 333 H C -1.968 173.036 175.328 -0.541 0.000 1.115 333 H CA -2.383 53.348 56.048 -0.528 0.000 1.204 333 H CB 1.881 31.260 29.762 -0.639 0.000 1.492 333 H HN 0.303 nan 8.280 nan 0.000 0.499 334 P HA -0.110 nan 4.420 nan 0.000 0.222 334 P C 0.561 177.688 177.300 -0.288 0.000 1.147 334 P CA 1.039 63.693 63.100 -0.743 0.000 0.790 334 P CB 0.779 31.941 31.700 -0.897 0.000 0.780 335 K N -1.334 119.019 120.400 -0.078 0.000 2.380 335 K HA 0.132 4.453 4.320 0.001 0.000 0.200 335 K C 0.772 177.147 176.600 -0.375 0.000 1.201 335 K CA 0.333 56.452 56.287 -0.280 0.000 0.916 335 K CB -0.220 31.994 32.500 -0.476 0.000 1.187 335 K HN 0.274 nan 8.250 nan 0.000 0.498 336 Y N 2.443 122.531 120.300 -0.352 0.000 2.404 336 Y HA 0.138 4.688 4.550 0.001 0.000 0.344 336 Y C 1.360 176.929 175.900 -0.552 0.000 0.995 336 Y CA -0.398 57.289 58.100 -0.688 0.000 1.201 336 Y CB 0.960 38.549 38.460 -1.453 0.000 1.151 336 Y HN 0.032 nan 8.280 nan 0.000 0.517 337 E N 3.905 123.999 120.200 -0.177 0.000 2.216 337 E HA -0.133 4.218 4.350 0.001 0.000 0.192 337 E C 1.382 177.984 176.600 0.003 0.000 0.988 337 E CA 0.643 57.017 56.400 -0.044 0.000 0.834 337 E CB -0.016 29.713 29.700 0.047 0.000 0.772 337 E HN 0.871 nan 8.360 nan 0.000 0.479 338 W N 0.091 121.484 121.300 0.155 0.000 2.611 338 W HA -0.053 4.608 4.660 0.001 0.000 0.251 338 W C 1.337 177.914 176.519 0.097 0.000 1.265 338 W CA -0.138 57.261 57.345 0.090 0.000 1.295 338 W CB -0.880 28.598 29.460 0.030 0.000 1.129 338 W HN -0.046 nan 8.180 nan 0.000 0.630 339 F N 3.612 123.361 119.950 -0.335 0.000 2.095 339 F HA -0.233 4.295 4.527 0.001 0.000 0.298 339 F C 2.970 178.782 175.800 0.020 0.000 1.104 339 F CA 3.179 61.062 58.000 -0.195 0.000 1.232 339 F CB -0.385 38.431 39.000 -0.306 0.000 0.987 339 F HN -0.186 nan 8.300 nan 0.000 0.475 340 R N 0.475 121.084 120.500 0.181 0.000 2.200 340 R HA -0.184 4.157 4.340 0.001 0.000 0.234 340 R C 1.475 177.813 176.300 0.064 0.000 1.127 340 R CA 1.887 58.064 56.100 0.128 0.000 0.989 340 R CB -1.165 29.206 30.300 0.119 0.000 0.869 340 R HN 0.382 nan 8.270 nan 0.000 0.459 341 E N 1.011 121.258 120.200 0.078 0.000 2.478 341 E HA -0.023 4.328 4.350 0.001 0.000 0.198 341 E C 1.584 178.199 176.600 0.024 0.000 1.046 341 E CA 0.417 56.860 56.400 0.071 0.000 0.870 341 E CB 0.024 29.794 29.700 0.118 0.000 0.818 341 E HN 0.430 nan 8.360 nan 0.000 0.527 342 L N 0.404 121.596 121.223 -0.051 0.000 2.492 342 L HA 0.006 4.346 4.340 0.001 0.000 0.223 342 L C 0.240 177.093 176.870 -0.029 0.000 1.132 342 L CA 0.239 55.019 54.840 -0.100 0.000 0.850 342 L CB -0.172 41.699 42.059 -0.313 0.000 0.966 342 L HN 0.076 nan 8.230 nan 0.000 0.454 343 E N 1.150 121.349 120.200 -0.001 0.000 2.230 343 E HA -0.203 4.147 4.350 0.001 0.000 0.206 343 E C -0.678 175.971 176.600 0.081 0.000 1.309 343 E CA 0.090 56.522 56.400 0.052 0.000 0.697 343 E CB -1.255 28.500 29.700 0.092 0.000 1.146 343 E HN 0.393 nan 8.360 nan 0.000 0.363 344 L N 0.936 122.150 121.223 -0.014 0.000 2.334 344 L HA 0.639 4.979 4.340 0.001 0.000 0.273 344 L C 0.360 177.138 176.870 -0.154 0.000 1.013 344 L CA -0.544 54.247 54.840 -0.082 0.000 0.816 344 L CB 1.537 43.480 42.059 -0.194 0.000 1.278 344 L HN 0.163 nan 8.230 nan 0.000 0.431 345 K N 0.595 120.761 120.400 -0.389 0.000 2.533 345 K HA 0.550 4.871 4.320 0.001 0.000 0.284 345 K C -2.022 174.601 176.600 0.039 0.000 1.025 345 K CA -1.052 55.121 56.287 -0.189 0.000 0.900 345 K CB 2.469 34.781 32.500 -0.315 0.000 1.519 345 K HN 0.568 nan 8.250 nan 0.000 0.432 346 W N 1.799 123.065 121.300 -0.057 0.000 3.248 346 W HA 0.294 4.955 4.660 0.001 0.000 0.311 346 W C -1.253 175.276 176.519 0.017 0.000 1.258 346 W CA -0.784 56.561 57.345 0.000 0.000 1.191 346 W CB 1.500 30.860 29.460 -0.167 0.000 1.389 346 W HN 0.699 nan 8.180 nan 0.000 0.561 347 Y N 1.175 121.339 120.300 -0.227 0.000 2.357 347 Y HA 0.475 5.025 4.550 0.001 0.000 0.340 347 Y C 0.791 176.860 175.900 0.282 0.000 1.260 347 Y CA 0.337 58.403 58.100 -0.058 0.000 1.425 347 Y CB 0.081 38.389 38.460 -0.253 0.000 1.326 347 Y HN 0.327 nan 8.280 nan 0.000 0.580 348 A N 1.706 124.775 122.820 0.416 0.000 2.169 348 A HA 0.205 4.526 4.320 0.001 0.000 0.210 348 A C 0.216 178.158 177.584 0.595 0.000 1.168 348 A CA -0.054 52.304 52.037 0.536 0.000 0.813 348 A CB -0.126 19.022 19.000 0.247 0.000 0.861 348 A HN 0.661 nan 8.150 nan 0.000 0.481 349 L N 2.281 123.782 121.223 0.463 0.000 2.264 349 L HA 0.426 4.767 4.340 0.001 0.000 0.287 349 L C -2.570 174.407 176.870 0.179 0.000 1.039 349 L CA -2.102 52.900 54.840 0.269 0.000 0.829 349 L CB 1.507 43.653 42.059 0.145 0.000 1.211 349 L HN -0.042 nan 8.230 nan 0.000 0.427 350 P HA 0.350 nan 4.420 nan 0.000 0.291 350 P C -1.424 175.756 177.300 -0.200 0.000 1.340 350 P CA -0.298 62.605 63.100 -0.329 0.000 0.799 350 P CB 1.408 32.491 31.700 -1.028 0.000 0.917 351 A N 4.345 127.060 122.820 -0.176 0.000 2.357 351 A HA 0.455 4.776 4.320 0.001 0.000 0.295 351 A C -0.433 176.934 177.584 -0.362 0.000 1.121 351 A CA -0.679 51.197 52.037 -0.269 0.000 0.742 351 A CB 1.165 20.008 19.000 -0.262 0.000 1.181 351 A HN 0.299 nan 8.150 nan 0.000 0.454 352 V N 2.267 121.821 119.914 -0.600 0.000 2.455 352 V HA 0.419 4.540 4.120 0.001 0.000 0.273 352 V C 1.135 176.797 176.094 -0.719 0.000 1.045 352 V CA 0.903 62.799 62.300 -0.672 0.000 0.976 352 V CB 1.012 32.276 31.823 -0.930 0.000 0.993 352 V HN 1.137 nan 8.190 nan 0.000 0.475 353 A N 4.194 126.785 122.820 -0.382 0.000 2.469 353 A HA 0.188 4.509 4.320 0.001 0.000 0.245 353 A C 1.172 178.694 177.584 -0.104 0.000 1.221 353 A CA 0.152 52.045 52.037 -0.241 0.000 0.946 353 A CB -0.016 18.891 19.000 -0.155 0.000 1.049 353 A HN 0.803 nan 8.150 nan 0.000 0.529 354 N N -0.637 118.004 118.700 -0.097 0.000 2.234 354 N HA 0.239 4.980 4.740 0.001 0.000 0.227 354 N C 0.034 175.572 175.510 0.047 0.000 1.151 354 N CA -0.151 52.896 53.050 -0.006 0.000 0.865 354 N CB -0.277 38.199 38.487 -0.020 0.000 1.066 354 N HN 0.357 nan 8.380 nan 0.000 0.515 355 M N 0.378 120.008 119.600 0.050 0.000 2.369 355 M HA 0.373 4.853 4.480 0.001 0.000 0.291 355 M C -0.440 175.990 176.300 0.216 0.000 1.178 355 M CA -0.801 54.589 55.300 0.149 0.000 0.996 355 M CB 1.668 34.364 32.600 0.160 0.000 1.472 355 M HN 0.058 nan 8.290 nan 0.000 0.496 356 L N 2.010 123.394 121.223 0.269 0.000 2.356 356 L HA 0.531 4.872 4.340 0.001 0.000 0.277 356 L C -1.527 175.554 176.870 0.353 0.000 0.996 356 L CA -1.008 54.005 54.840 0.290 0.000 0.822 356 L CB 1.514 43.708 42.059 0.226 0.000 1.256 356 L HN 0.553 nan 8.230 nan 0.000 0.413 357 L N 5.001 126.427 121.223 0.339 0.000 2.276 357 L HA 0.459 4.800 4.340 0.001 0.000 0.286 357 L C -0.406 176.603 176.870 0.232 0.000 1.061 357 L CA 0.416 55.379 54.840 0.204 0.000 0.807 357 L CB 1.059 43.194 42.059 0.128 0.000 1.177 357 L HN 0.624 nan 8.230 nan 0.000 0.429 358 E N 4.898 125.202 120.200 0.173 0.000 2.171 358 E HA 0.505 4.856 4.350 0.001 0.000 0.271 358 E C -1.890 174.748 176.600 0.063 0.000 0.916 358 E CA -0.454 56.053 56.400 0.177 0.000 0.774 358 E CB 1.922 31.809 29.700 0.311 0.000 1.128 358 E HN 0.520 nan 8.360 nan 0.000 0.403 359 V N 3.158 123.082 119.914 0.017 0.000 2.697 359 V HA 0.500 4.621 4.120 0.001 0.000 0.300 359 V C 0.270 176.276 176.094 -0.146 0.000 1.115 359 V CA 0.492 62.704 62.300 -0.147 0.000 0.912 359 V CB 1.247 32.862 31.823 -0.345 0.000 1.024 359 V HN 0.873 nan 8.190 nan 0.000 0.431 360 G N 4.411 113.186 108.800 -0.042 0.000 2.341 360 G HA2 0.066 4.027 3.960 0.001 0.000 0.292 360 G HA3 0.066 4.027 3.960 0.001 0.000 0.292 360 G C 1.603 176.621 174.900 0.196 0.000 1.021 360 G CA 1.341 46.545 45.100 0.172 0.000 0.905 360 G HN 2.749 nan 8.290 nan 0.000 0.508 361 G N -2.011 106.853 108.800 0.107 0.000 2.234 361 G HA2 -0.263 3.698 3.960 0.001 0.000 0.260 361 G HA3 -0.263 3.698 3.960 0.001 0.000 0.260 361 G C 0.526 175.438 174.900 0.021 0.000 0.987 361 G CA 0.585 45.733 45.100 0.080 0.000 0.625 361 G HN 1.300 nan 8.290 nan 0.000 0.532 362 L N 0.746 121.953 121.223 -0.026 0.000 2.350 362 L HA 0.572 4.913 4.340 0.001 0.000 0.275 362 L C 0.329 177.106 176.870 -0.155 0.000 1.099 362 L CA -0.368 54.364 54.840 -0.180 0.000 0.808 362 L CB 1.129 42.994 42.059 -0.324 0.000 1.149 362 L HN 0.182 nan 8.230 nan 0.000 0.442 363 E N 2.743 122.783 120.200 -0.268 0.000 2.165 363 E HA 0.357 4.707 4.350 0.001 0.000 0.266 363 E C -1.490 174.942 176.600 -0.280 0.000 0.889 363 E CA -0.410 55.902 56.400 -0.147 0.000 0.756 363 E CB 1.637 31.283 29.700 -0.089 0.000 1.131 363 E HN 0.266 nan 8.360 nan 0.000 0.411 364 F N 3.952 123.915 119.950 0.021 0.000 2.293 364 F HA 0.285 4.813 4.527 0.001 0.000 0.370 364 F C -1.691 174.178 175.800 0.115 0.000 1.090 364 F CA -2.263 55.771 58.000 0.056 0.000 1.133 364 F CB 1.245 40.265 39.000 0.032 0.000 1.360 364 F HN 0.378 nan 8.300 nan 0.000 0.489 365 P HA 0.005 nan 4.420 nan 0.000 0.226 365 P C 0.574 178.032 177.300 0.263 0.000 1.153 365 P CA 0.641 63.867 63.100 0.211 0.000 0.777 365 P CB 0.485 32.277 31.700 0.154 0.000 0.794 366 G N 0.067 109.081 108.800 0.357 0.000 2.744 366 G HA2 0.462 4.423 3.960 0.001 0.000 0.309 366 G HA3 0.462 4.423 3.960 0.001 0.000 0.309 366 G C -0.583 174.572 174.900 0.426 0.000 1.328 366 G CA -0.418 44.945 45.100 0.439 0.000 1.034 366 G HN 0.224 nan 8.290 nan 0.000 0.518 367 C N 1.638 121.112 119.300 0.290 0.000 3.392 367 C HA 0.466 4.927 4.460 0.001 0.000 0.217 367 C C -2.436 172.641 174.990 0.146 0.000 1.222 367 C CA -2.151 56.975 59.018 0.179 0.000 1.200 367 C CB 0.490 28.354 27.740 0.206 0.000 1.818 367 C HN 0.510 nan 8.230 nan 0.000 0.586 368 P HA 0.348 nan 4.420 nan 0.000 0.265 368 P C -0.615 176.691 177.300 0.010 0.000 1.193 368 P CA 0.925 63.974 63.100 -0.085 0.000 0.765 368 P CB 0.507 32.168 31.700 -0.064 0.000 0.823 369 F N 0.357 120.238 119.950 -0.115 0.000 2.626 369 F HA 0.659 5.186 4.527 0.001 0.000 0.311 369 F C -0.699 175.000 175.800 -0.167 0.000 1.088 369 F CA -1.193 56.739 58.000 -0.113 0.000 0.949 369 F CB 1.628 40.423 39.000 -0.341 0.000 1.322 369 F HN 0.335 nan 8.300 nan 0.000 0.461 370 N N 0.028 118.820 118.700 0.153 0.000 2.455 370 N HA 0.798 5.539 4.740 0.001 0.000 0.278 370 N C -1.125 174.344 175.510 -0.070 0.000 1.291 370 N CA -0.449 52.612 53.050 0.018 0.000 0.780 370 N CB 2.118 40.645 38.487 0.066 0.000 1.520 370 N HN 1.084 nan 8.380 nan 0.000 0.486 371 G N -1.020 107.697 108.800 -0.137 0.000 3.107 371 G HA2 0.645 4.606 3.960 0.001 0.000 0.233 371 G HA3 0.645 4.606 3.960 0.001 0.000 0.233 371 G C -1.931 172.925 174.900 -0.072 0.000 1.168 371 G CA -0.771 44.166 45.100 -0.271 0.000 0.801 371 G HN 0.710 nan 8.290 nan 0.000 0.605 372 W N -1.545 119.745 121.300 -0.017 0.000 2.902 372 W HA 0.817 5.478 4.660 0.002 0.000 0.346 372 W C -1.432 175.072 176.519 -0.026 0.000 1.139 372 W CA -2.149 55.200 57.345 0.007 0.000 1.139 372 W CB 0.446 29.952 29.460 0.077 0.000 1.439 372 W HN 0.420 nan 8.180 nan 0.000 0.558 373 Y N 2.427 122.905 120.300 0.296 0.000 2.480 373 Y HA 0.204 4.754 4.550 0.001 0.000 0.338 373 Y C 0.806 176.750 175.900 0.073 0.000 1.220 373 Y CA -0.337 57.818 58.100 0.092 0.000 1.430 373 Y CB 0.961 39.378 38.460 -0.071 0.000 1.311 373 Y HN 0.432 nan 8.280 nan 0.000 0.575 374 M N 2.384 122.134 119.600 0.250 0.000 2.238 374 M HA 0.355 4.836 4.480 0.001 0.000 0.350 374 M C 1.162 177.465 176.300 0.005 0.000 1.138 374 M CA -0.011 55.362 55.300 0.122 0.000 1.040 374 M CB 1.280 33.928 32.600 0.079 0.000 1.639 374 M HN 0.853 nan 8.290 nan 0.000 0.451 375 G N 1.361 110.123 108.800 -0.064 0.000 2.505 375 G HA2 -0.287 3.674 3.960 0.001 0.000 0.220 375 G HA3 -0.287 3.674 3.960 0.001 0.000 0.220 375 G C 1.159 175.929 174.900 -0.215 0.000 1.145 375 G CA 1.698 46.688 45.100 -0.182 0.000 0.761 375 G HN 0.876 nan 8.290 nan 0.000 0.571 376 T N -0.808 113.646 114.554 -0.166 0.000 2.929 376 T HA -0.036 4.315 4.350 0.001 0.000 0.271 376 T C 1.908 176.457 174.700 -0.252 0.000 1.085 376 T CA 1.589 63.545 62.100 -0.240 0.000 1.125 376 T CB -0.272 68.404 68.868 -0.320 0.000 0.874 376 T HN 0.525 nan 8.240 nan 0.000 0.494 377 E N 0.904 120.976 120.200 -0.213 0.000 2.085 377 E HA -0.073 4.277 4.350 0.001 0.000 0.194 377 E C 2.051 178.391 176.600 -0.433 0.000 0.994 377 E CA 1.486 57.764 56.400 -0.202 0.000 0.801 377 E CB -0.295 29.422 29.700 0.028 0.000 0.743 377 E HN 0.621 nan 8.360 nan 0.000 0.453 378 I N 0.098 120.264 120.570 -0.674 0.000 2.385 378 I HA -0.037 4.134 4.170 0.001 0.000 0.244 378 I C 2.621 178.179 176.117 -0.931 0.000 1.089 378 I CA 0.818 61.444 61.300 -1.123 0.000 1.410 378 I CB -0.535 36.684 38.000 -1.301 0.000 1.117 378 I HN 0.081 nan 8.210 nan 0.000 0.429 379 G N 0.834 109.327 108.800 -0.512 0.000 2.418 379 G HA2 -0.153 3.808 3.960 0.001 0.000 0.217 379 G HA3 -0.153 3.808 3.960 0.001 0.000 0.217 379 G C 1.621 176.461 174.900 -0.100 0.000 1.158 379 G CA 1.192 46.185 45.100 -0.177 0.000 0.771 379 G HN 0.222 nan 8.290 nan 0.000 0.545 380 V N 0.327 120.133 119.914 -0.180 0.000 2.341 380 V HA 0.042 4.163 4.120 0.001 0.000 0.240 380 V C 2.857 178.876 176.094 -0.126 0.000 1.035 380 V CA 1.141 63.363 62.300 -0.129 0.000 1.033 380 V CB -0.338 31.385 31.823 -0.167 0.000 0.678 380 V HN 0.129 nan 8.190 nan 0.000 0.464 381 R N 0.708 121.095 120.500 -0.188 0.000 2.055 381 R HA -0.047 4.294 4.340 0.001 0.000 0.228 381 R C 1.996 178.217 176.300 -0.132 0.000 1.143 381 R CA 1.561 57.572 56.100 -0.149 0.000 0.945 381 R CB -1.199 29.007 30.300 -0.156 0.000 0.841 381 R HN 0.493 nan 8.270 nan 0.000 0.429 382 D N 0.376 120.585 120.400 -0.318 0.000 2.097 382 D HA -0.130 4.511 4.640 0.001 0.000 0.195 382 D C 1.905 178.208 176.300 0.005 0.000 0.989 382 D CA 1.167 54.966 54.000 -0.335 0.000 0.827 382 D CB -0.175 39.905 40.800 -1.201 0.000 0.966 382 D HN 0.094 nan 8.370 nan 0.000 0.456 383 F N 0.344 120.216 119.950 -0.129 0.000 2.335 383 F HA 0.020 4.548 4.527 0.001 0.000 0.296 383 F C 2.414 178.259 175.800 0.076 0.000 1.091 383 F CA -0.171 57.840 58.000 0.018 0.000 1.399 383 F CB -0.684 38.312 39.000 -0.008 0.000 1.067 383 F HN 0.040 nan 8.300 nan 0.000 0.520 384 C N -1.335 118.086 119.300 0.202 0.000 2.912 384 C HA 0.193 4.654 4.460 0.001 0.000 0.274 384 C C 0.426 175.465 174.990 0.081 0.000 1.248 384 C CA -0.691 58.405 59.018 0.130 0.000 1.694 384 C CB -0.599 27.187 27.740 0.077 0.000 2.024 384 C HN 0.069 nan 8.230 nan 0.000 0.605 385 D N 1.557 121.997 120.400 0.066 0.000 2.493 385 D HA 0.077 4.718 4.640 0.001 0.000 0.240 385 D C 1.443 177.784 176.300 0.068 0.000 1.142 385 D CA 0.250 54.276 54.000 0.043 0.000 0.872 385 D CB 1.015 41.836 40.800 0.035 0.000 1.173 385 D HN 0.228 nan 8.370 nan 0.000 0.467 386 V N 1.866 121.808 119.914 0.047 0.000 2.720 386 V HA -0.204 3.917 4.120 0.001 0.000 0.256 386 V C 1.566 177.690 176.094 0.050 0.000 1.082 386 V CA 1.349 63.681 62.300 0.052 0.000 1.101 386 V CB -0.585 31.262 31.823 0.040 0.000 0.693 386 V HN 0.624 nan 8.190 nan 0.000 0.479 387 Q N -0.106 119.721 119.800 0.046 0.000 2.365 387 Q HA 0.161 4.502 4.340 0.001 0.000 0.203 387 Q C 0.981 177.012 176.000 0.051 0.000 0.929 387 Q CA 0.097 55.925 55.803 0.042 0.000 0.948 387 Q CB 0.170 28.932 28.738 0.039 0.000 1.043 387 Q HN 0.608 nan 8.270 nan 0.000 0.505 388 R N -0.377 120.170 120.500 0.078 0.000 2.845 388 R HA 0.257 4.598 4.340 0.001 0.000 0.112 388 R C 1.323 177.669 176.300 0.078 0.000 1.012 388 R CA -0.478 55.691 56.100 0.115 0.000 0.744 388 R CB -1.063 29.372 30.300 0.224 0.000 0.926 388 R HN 0.044 nan 8.270 nan 0.000 0.376 389 Y N 1.576 122.003 120.300 0.212 0.000 2.509 389 Y HA -0.062 4.489 4.550 0.001 0.000 0.293 389 Y C 0.597 176.590 175.900 0.155 0.000 1.133 389 Y CA 0.756 58.989 58.100 0.222 0.000 1.283 389 Y CB -0.400 38.285 38.460 0.375 0.000 1.001 389 Y HN 0.467 nan 8.280 nan 0.000 0.555 390 N N 0.911 119.760 118.700 0.249 0.000 2.678 390 N HA -0.231 4.510 4.740 0.001 0.000 0.268 390 N C 0.332 175.938 175.510 0.160 0.000 1.010 390 N CA 0.832 53.984 53.050 0.169 0.000 0.784 390 N CB -1.184 37.369 38.487 0.109 0.000 0.905 390 N HN 0.665 nan 8.380 nan 0.000 0.552 391 I N -2.913 117.762 120.570 0.175 0.000 3.883 391 I HA 0.127 4.298 4.170 0.001 0.000 0.326 391 I C 1.615 177.817 176.117 0.142 0.000 1.283 391 I CA -0.460 60.913 61.300 0.122 0.000 1.161 391 I CB -0.045 37.984 38.000 0.049 0.000 1.012 391 I HN 0.149 nan 8.210 nan 0.000 0.421 392 L N 2.012 123.341 121.223 0.177 0.000 1.978 392 L HA -0.256 4.084 4.340 0.001 0.000 0.218 392 L C 2.577 179.652 176.870 0.342 0.000 1.075 392 L CA 2.416 57.394 54.840 0.230 0.000 0.767 392 L CB -0.790 41.368 42.059 0.164 0.000 0.890 392 L HN 0.509 nan 8.230 nan 0.000 0.434 393 E N -0.953 119.442 120.200 0.325 0.000 2.058 393 E HA -0.325 4.026 4.350 0.001 0.000 0.194 393 E C 2.075 178.712 176.600 0.061 0.000 0.997 393 E CA 1.501 58.046 56.400 0.243 0.000 0.801 393 E CB -0.119 29.674 29.700 0.156 0.000 0.746 393 E HN 0.596 nan 8.360 nan 0.000 0.450 394 E N -0.101 120.130 120.200 0.051 0.000 2.038 394 E HA -0.195 4.156 4.350 0.001 0.000 0.195 394 E C 1.986 178.559 176.600 -0.046 0.000 1.000 394 E CA 1.960 58.346 56.400 -0.022 0.000 0.803 394 E CB -0.235 29.459 29.700 -0.009 0.000 0.750 394 E HN 0.182 nan 8.360 nan 0.000 0.448 395 V N 0.568 120.519 119.914 0.061 0.000 2.490 395 V HA -0.174 3.947 4.120 0.001 0.000 0.250 395 V C 2.300 178.428 176.094 0.057 0.000 1.061 395 V CA 1.786 64.165 62.300 0.131 0.000 1.064 395 V CB -1.068 30.937 31.823 0.303 0.000 0.670 395 V HN 0.543 nan 8.190 nan 0.000 0.461 396 G N 0.034 108.900 108.800 0.112 0.000 2.421 396 G HA2 -0.244 3.717 3.960 0.001 0.000 0.216 396 G HA3 -0.244 3.717 3.960 0.001 0.000 0.216 396 G C 1.747 176.543 174.900 -0.173 0.000 1.171 396 G CA 0.798 45.937 45.100 0.065 0.000 0.775 396 G HN 0.440 nan 8.290 nan 0.000 0.543 397 R N 0.017 120.370 120.500 -0.244 0.000 2.070 397 R HA 0.013 4.353 4.340 0.001 0.000 0.233 397 R C 2.807 178.890 176.300 -0.362 0.000 1.137 397 R CA 1.170 57.098 56.100 -0.285 0.000 0.945 397 R CB -0.337 29.812 30.300 -0.251 0.000 0.845 397 R HN 0.219 nan 8.270 nan 0.000 0.430 398 R N 0.369 120.563 120.500 -0.510 0.000 2.139 398 R HA -0.120 4.220 4.340 0.001 0.000 0.243 398 R C 2.070 177.811 176.300 -0.933 0.000 1.145 398 R CA 1.338 56.875 56.100 -0.938 0.000 0.976 398 R CB -0.308 29.051 30.300 -1.569 0.000 0.866 398 R HN 0.330 nan 8.270 nan 0.000 0.449 399 M N -0.488 118.785 119.600 -0.544 0.000 2.562 399 M HA 0.066 4.547 4.480 0.001 0.000 0.257 399 M C 0.726 176.909 176.300 -0.194 0.000 1.099 399 M CA 0.801 55.921 55.300 -0.299 0.000 1.099 399 M CB 0.402 32.943 32.600 -0.097 0.000 1.427 399 M HN 0.413 nan 8.290 nan 0.000 0.489 400 G N 1.979 110.643 108.800 -0.226 0.000 2.225 400 G HA2 -0.225 3.736 3.960 0.001 0.000 0.264 400 G HA3 -0.225 3.736 3.960 0.001 0.000 0.264 400 G C -0.176 174.666 174.900 -0.097 0.000 1.060 400 G CA -0.186 44.820 45.100 -0.157 0.000 0.833 400 G HN 0.386 nan 8.290 nan 0.000 0.498 401 L N -1.112 120.049 121.223 -0.103 0.000 2.448 401 L HA 0.498 4.839 4.340 0.001 0.000 0.258 401 L C 0.946 177.736 176.870 -0.133 0.000 1.104 401 L CA -0.944 53.864 54.840 -0.053 0.000 0.800 401 L CB 0.657 42.745 42.059 0.048 0.000 1.241 401 L HN 0.148 nan 8.230 nan 0.000 0.472 402 E N 0.211 120.354 120.200 -0.095 0.000 1.852 402 E HA 0.005 4.356 4.350 0.001 0.000 0.276 402 E C 0.613 176.939 176.600 -0.457 0.000 1.163 402 E CA -0.093 56.219 56.400 -0.145 0.000 1.117 402 E CB 0.149 29.776 29.700 -0.123 0.000 1.124 402 E HN 0.614 nan 8.360 nan 0.000 0.458 403 T N -1.577 112.565 114.554 -0.688 0.000 3.163 403 T HA -0.140 4.211 4.350 0.001 0.000 0.260 403 T C 1.429 175.737 174.700 -0.653 0.000 1.156 403 T CA 0.663 61.892 62.100 -1.451 0.000 1.072 403 T CB -0.204 67.854 68.868 -1.351 0.000 0.937 403 T HN 0.515 nan 8.240 nan 0.000 0.528 404 H N -0.017 118.872 119.070 -0.302 0.000 2.562 404 H HA 0.360 4.916 4.556 0.001 0.000 0.267 404 H C 0.595 175.941 175.328 0.030 0.000 0.959 404 H CA -0.122 55.867 56.048 -0.098 0.000 1.204 404 H CB 0.185 29.895 29.762 -0.086 0.000 1.430 404 H HN 0.348 nan 8.280 nan 0.000 0.545 405 K N 1.570 121.663 120.400 -0.512 0.000 2.449 405 K HA 0.242 4.562 4.320 0.001 0.000 0.257 405 K C 0.682 177.340 176.600 0.096 0.000 0.989 405 K CA -0.416 55.731 56.287 -0.232 0.000 0.916 405 K CB 1.447 33.695 32.500 -0.421 0.000 1.136 405 K HN 0.057 nan 8.250 nan 0.000 0.439 406 L N 2.700 124.006 121.223 0.139 0.000 2.043 406 L HA -0.226 4.114 4.340 0.001 0.000 0.212 406 L C 2.174 179.071 176.870 0.045 0.000 1.075 406 L CA 1.799 56.706 54.840 0.111 0.000 0.752 406 L CB -0.359 41.728 42.059 0.047 0.000 0.891 406 L HN 0.801 nan 8.230 nan 0.000 0.432 407 A N -0.257 122.583 122.820 0.033 0.000 2.178 407 A HA -0.179 4.142 4.320 0.001 0.000 0.218 407 A C 2.376 179.978 177.584 0.029 0.000 1.157 407 A CA 1.609 53.657 52.037 0.018 0.000 0.689 407 A CB -0.541 18.467 19.000 0.015 0.000 0.787 407 A HN 0.575 nan 8.150 nan 0.000 0.465 408 S N -0.733 115.004 115.700 0.062 0.000 2.522 408 S HA 0.118 4.588 4.470 0.001 0.000 0.227 408 S C 0.879 175.535 174.600 0.093 0.000 0.986 408 S CA 0.630 58.878 58.200 0.081 0.000 0.929 408 S CB -0.672 62.588 63.200 0.100 0.000 0.769 408 S HN 0.829 nan 8.310 nan 0.000 0.529 409 L N 0.518 121.771 121.223 0.049 0.000 3.865 409 L HA -0.168 4.173 4.340 0.001 0.000 0.408 409 L C 1.617 178.487 176.870 -0.001 0.000 1.209 409 L CA 0.757 55.579 54.840 -0.030 0.000 0.940 409 L CB -2.520 39.533 42.059 -0.010 0.000 1.971 409 L HN 0.766 nan 8.230 nan 0.000 0.899 410 W N 0.068 121.361 121.300 -0.011 0.000 2.392 410 W HA -0.153 4.508 4.660 0.002 0.000 0.279 410 W C 1.655 178.185 176.519 0.018 0.000 1.225 410 W CA 1.221 58.566 57.345 0.000 0.000 1.233 410 W CB -0.633 28.817 29.460 -0.018 0.000 1.122 410 W HN 0.286 nan 8.180 nan 0.000 0.561 411 K N 1.023 120.953 120.400 -0.783 0.000 2.097 411 K HA -0.134 4.187 4.320 0.001 0.000 0.205 411 K C 1.477 177.919 176.600 -0.264 0.000 1.050 411 K CA 2.183 58.015 56.287 -0.758 0.000 0.938 411 K CB -0.262 31.677 32.500 -0.935 0.000 0.718 411 K HN 0.047 nan 8.250 nan 0.000 0.442 412 D N 0.443 120.732 120.400 -0.184 0.000 2.178 412 D HA -0.126 4.515 4.640 0.001 0.000 0.202 412 D C 1.858 178.162 176.300 0.008 0.000 0.974 412 D CA 0.884 54.839 54.000 -0.074 0.000 0.841 412 D CB 0.104 40.868 40.800 -0.060 0.000 0.953 412 D HN 0.174 nan 8.370 nan 0.000 0.478 413 Q N 0.119 119.949 119.800 0.049 0.000 2.049 413 Q HA -0.032 4.309 4.340 0.001 0.000 0.198 413 Q C 2.285 178.378 176.000 0.154 0.000 0.971 413 Q CA 1.200 57.071 55.803 0.114 0.000 0.833 413 Q CB -0.105 28.721 28.738 0.146 0.000 0.896 413 Q HN 0.299 nan 8.270 nan 0.000 0.434 414 A N 0.194 123.119 122.820 0.175 0.000 1.902 414 A HA -0.143 4.178 4.320 0.001 0.000 0.217 414 A C 2.264 179.962 177.584 0.190 0.000 1.181 414 A CA 1.349 53.521 52.037 0.225 0.000 0.623 414 A CB -0.697 18.473 19.000 0.283 0.000 0.818 414 A HN 0.229 nan 8.150 nan 0.000 0.443 415 V N -0.282 119.697 119.914 0.107 0.000 2.407 415 V HA -0.219 3.902 4.120 0.001 0.000 0.248 415 V C 2.541 178.690 176.094 0.092 0.000 1.055 415 V CA 1.887 64.237 62.300 0.083 0.000 1.049 415 V CB -0.704 31.123 31.823 0.007 0.000 0.662 415 V HN 0.383 nan 8.190 nan 0.000 0.455 416 V N -0.344 119.628 119.914 0.097 0.000 2.358 416 V HA -0.175 3.946 4.120 0.001 0.000 0.246 416 V C 2.601 178.775 176.094 0.133 0.000 1.047 416 V CA 1.705 64.067 62.300 0.104 0.000 1.035 416 V CB -0.598 31.288 31.823 0.104 0.000 0.658 416 V HN 0.519 nan 8.190 nan 0.000 0.452 417 E N 0.121 120.441 120.200 0.200 0.000 2.077 417 E HA -0.160 4.191 4.350 0.001 0.000 0.193 417 E C 2.157 178.876 176.600 0.198 0.000 0.989 417 E CA 1.324 57.894 56.400 0.284 0.000 0.800 417 E CB -0.341 29.609 29.700 0.416 0.000 0.746 417 E HN 0.578 nan 8.360 nan 0.000 0.452 418 I N 1.616 122.320 120.570 0.223 0.000 2.226 418 I HA -0.264 3.907 4.170 0.001 0.000 0.245 418 I C 2.077 178.262 176.117 0.113 0.000 1.100 418 I CA 0.908 62.347 61.300 0.231 0.000 1.374 418 I CB -0.303 37.899 38.000 0.335 0.000 1.057 418 I HN 0.079 nan 8.210 nan 0.000 0.413 419 N N 0.742 119.489 118.700 0.079 0.000 2.331 419 N HA -0.053 4.688 4.740 0.001 0.000 0.180 419 N C 1.963 177.468 175.510 -0.009 0.000 1.019 419 N CA 1.139 54.204 53.050 0.026 0.000 0.881 419 N CB 0.118 38.618 38.487 0.022 0.000 0.972 419 N HN 0.381 nan 8.380 nan 0.000 0.435 420 I N 1.202 121.747 120.570 -0.041 0.000 2.353 420 I HA -0.181 3.990 4.170 0.001 0.000 0.248 420 I C 2.431 178.420 176.117 -0.215 0.000 1.119 420 I CA 0.471 61.697 61.300 -0.124 0.000 1.417 420 I CB -0.202 37.689 38.000 -0.182 0.000 1.078 420 I HN 0.037 nan 8.210 nan 0.000 0.421 421 A N 0.501 123.134 122.820 -0.312 0.000 1.902 421 A HA -0.163 4.158 4.320 0.001 0.000 0.217 421 A C 2.422 179.972 177.584 -0.057 0.000 1.181 421 A CA 1.728 53.546 52.037 -0.366 0.000 0.623 421 A CB -0.942 17.604 19.000 -0.757 0.000 0.818 421 A HN 0.231 nan 8.150 nan 0.000 0.443 422 V N 0.085 120.008 119.914 0.014 0.000 2.261 422 V HA -0.269 3.851 4.120 0.001 0.000 0.246 422 V C 2.590 178.735 176.094 0.086 0.000 1.047 422 V CA 2.073 64.428 62.300 0.092 0.000 1.015 422 V CB -0.767 31.045 31.823 -0.019 0.000 0.642 422 V HN 0.576 nan 8.190 nan 0.000 0.446 423 L N -0.590 120.638 121.223 0.008 0.000 2.046 423 L HA -0.203 4.137 4.340 0.001 0.000 0.208 423 L C 2.641 179.545 176.870 0.057 0.000 1.077 423 L CA 1.955 56.801 54.840 0.010 0.000 0.747 423 L CB -0.905 41.151 42.059 -0.005 0.000 0.896 423 L HN 0.508 nan 8.230 nan 0.000 0.432 424 H N -0.088 118.952 119.070 -0.050 0.000 2.321 424 H HA -0.127 4.429 4.556 0.001 0.000 0.300 424 H C 2.234 177.557 175.328 -0.008 0.000 1.087 424 H CA 1.878 57.885 56.048 -0.069 0.000 1.319 424 H CB 0.327 29.982 29.762 -0.178 0.000 1.379 424 H HN 0.235 nan 8.280 nan 0.000 0.501 425 S N 0.213 115.910 115.700 -0.005 0.000 2.368 425 S HA -0.102 4.369 4.470 0.001 0.000 0.224 425 S C 2.002 176.596 174.600 -0.010 0.000 1.029 425 S CA 1.093 59.280 58.200 -0.022 0.000 0.988 425 S CB -0.471 62.801 63.200 0.121 0.000 0.838 425 S HN 0.278 nan 8.310 nan 0.000 0.462 426 F N 2.078 121.980 119.950 -0.080 0.000 2.146 426 F HA -0.093 4.435 4.527 0.001 0.000 0.298 426 F C 2.651 178.396 175.800 -0.092 0.000 1.096 426 F CA 1.144 59.111 58.000 -0.056 0.000 1.275 426 F CB -0.603 38.382 39.000 -0.024 0.000 1.008 426 F HN 0.205 nan 8.300 nan 0.000 0.480 427 Q N -0.110 119.728 119.800 0.063 0.000 2.084 427 Q HA -0.265 4.075 4.340 0.001 0.000 0.202 427 Q C 2.193 178.129 176.000 -0.107 0.000 0.978 427 Q CA 1.852 57.635 55.803 -0.034 0.000 0.844 427 Q CB -0.310 28.391 28.738 -0.062 0.000 0.898 427 Q HN 0.334 nan 8.270 nan 0.000 0.426 428 K N 0.937 121.211 120.400 -0.208 0.000 2.097 428 K HA -0.177 4.144 4.320 0.001 0.000 0.206 428 K C 1.553 178.078 176.600 -0.126 0.000 1.049 428 K CA 1.303 57.469 56.287 -0.203 0.000 0.933 428 K CB 0.149 32.466 32.500 -0.306 0.000 0.717 428 K HN 0.159 nan 8.250 nan 0.000 0.442 429 Q N 0.420 120.146 119.800 -0.123 0.000 2.322 429 Q HA 0.080 4.421 4.340 0.001 0.000 0.203 429 Q C -0.627 175.322 176.000 -0.085 0.000 0.923 429 Q CA -0.183 55.555 55.803 -0.108 0.000 0.949 429 Q CB 0.306 28.956 28.738 -0.147 0.000 1.039 429 Q HN 0.324 nan 8.270 nan 0.000 0.496 430 N N 0.285 118.945 118.700 -0.067 0.000 2.725 430 N HA -0.149 4.592 4.740 0.001 0.000 0.251 430 N C -1.355 174.136 175.510 -0.031 0.000 1.031 430 N CA 0.535 53.557 53.050 -0.046 0.000 0.720 430 N CB -1.108 37.350 38.487 -0.048 0.000 0.930 430 N HN 0.017 nan 8.380 nan 0.000 0.543 431 V N 0.743 120.660 119.914 0.004 0.000 2.495 431 V HA 0.273 4.393 4.120 0.001 0.000 0.298 431 V C 0.853 177.047 176.094 0.166 0.000 1.031 431 V CA -0.661 61.679 62.300 0.066 0.000 0.871 431 V CB 2.111 33.931 31.823 -0.004 0.000 0.988 431 V HN 0.175 nan 8.190 nan 0.000 0.432 432 T N 6.246 120.841 114.554 0.067 0.000 2.902 432 T HA 0.448 4.799 4.350 0.001 0.000 0.301 432 T C -0.255 174.470 174.700 0.042 0.000 1.012 432 T CA 0.835 62.887 62.100 -0.082 0.000 1.151 432 T CB 0.095 68.753 68.868 -0.349 0.000 0.946 432 T HN 0.563 nan 8.240 nan 0.000 0.542 433 I N 2.419 122.948 120.570 -0.067 0.000 2.984 433 I HA 0.595 4.766 4.170 0.001 0.000 0.303 433 I C -1.586 174.521 176.117 -0.016 0.000 1.381 433 I CA -1.147 60.134 61.300 -0.032 0.000 0.988 433 I CB 2.146 39.999 38.000 -0.245 0.000 1.307 433 I HN 0.646 nan 8.210 nan 0.000 0.460 434 M N 4.791 124.450 119.600 0.098 0.000 2.393 434 M HA 0.432 4.913 4.480 0.001 0.000 0.299 434 M C -1.778 174.574 176.300 0.085 0.000 1.103 434 M CA -0.450 54.928 55.300 0.129 0.000 0.910 434 M CB 1.847 34.638 32.600 0.317 0.000 1.659 434 M HN 0.627 nan 8.290 nan 0.000 0.445 435 D N 1.918 122.355 120.400 0.061 0.000 2.312 435 D HA 0.156 4.797 4.640 0.001 0.000 0.248 435 D C 1.134 177.456 176.300 0.035 0.000 1.086 435 D CA -0.244 53.787 54.000 0.052 0.000 0.948 435 D CB 0.600 41.406 40.800 0.009 0.000 1.162 435 D HN 0.701 nan 8.370 nan 0.000 0.446 436 H N 0.496 119.518 119.070 -0.081 0.000 2.456 436 H HA -0.147 4.410 4.556 0.001 0.000 0.296 436 H C 0.916 176.146 175.328 -0.164 0.000 1.079 436 H CA 1.299 57.258 56.048 -0.148 0.000 1.322 436 H CB -0.559 29.060 29.762 -0.238 0.000 1.388 436 H HN 0.542 nan 8.280 nan 0.000 0.538 437 H N 1.206 120.085 119.070 -0.317 0.000 2.307 437 H HA 0.010 4.566 4.556 0.001 0.000 0.303 437 H C 2.367 177.677 175.328 -0.031 0.000 1.073 437 H CA 1.449 57.399 56.048 -0.164 0.000 1.338 437 H CB 0.072 29.704 29.762 -0.216 0.000 1.389 437 H HN 0.355 nan 8.280 nan 0.000 0.503 438 S N 0.941 116.697 115.700 0.093 0.000 2.382 438 S HA -0.114 4.357 4.470 0.001 0.000 0.228 438 S C 2.460 177.132 174.600 0.120 0.000 1.027 438 S CA 0.884 59.144 58.200 0.099 0.000 0.991 438 S CB -0.290 62.961 63.200 0.084 0.000 0.823 438 S HN 0.514 nan 8.310 nan 0.000 0.469 439 A N 1.609 124.497 122.820 0.113 0.000 1.933 439 A HA 0.140 4.461 4.320 0.001 0.000 0.218 439 A C 2.349 180.029 177.584 0.159 0.000 1.175 439 A CA 1.642 53.762 52.037 0.137 0.000 0.628 439 A CB -1.010 18.056 19.000 0.111 0.000 0.814 439 A HN 0.519 nan 8.150 nan 0.000 0.444 440 A N -0.196 122.702 122.820 0.131 0.000 1.873 440 A HA -0.131 4.190 4.320 0.001 0.000 0.215 440 A C 1.934 179.654 177.584 0.227 0.000 1.186 440 A CA 1.493 53.630 52.037 0.167 0.000 0.616 440 A CB -0.502 18.570 19.000 0.120 0.000 0.823 440 A HN 0.610 nan 8.150 nan 0.000 0.442 441 E N -0.449 119.860 120.200 0.181 0.000 2.051 441 E HA -0.165 4.186 4.350 0.001 0.000 0.192 441 E C 2.296 179.002 176.600 0.177 0.000 0.991 441 E CA 1.289 57.790 56.400 0.168 0.000 0.799 441 E CB -0.248 29.529 29.700 0.127 0.000 0.748 441 E HN 0.581 nan 8.360 nan 0.000 0.449 442 S N 0.300 116.107 115.700 0.179 0.000 2.370 442 S HA -0.195 4.276 4.470 0.001 0.000 0.226 442 S C 1.763 176.496 174.600 0.222 0.000 1.033 442 S CA 1.022 59.328 58.200 0.176 0.000 1.011 442 S CB -0.308 62.994 63.200 0.170 0.000 0.852 442 S HN 0.314 nan 8.310 nan 0.000 0.457 443 F N 1.647 121.682 119.950 0.142 0.000 2.186 443 F HA -0.008 4.520 4.527 0.001 0.000 0.299 443 F C 2.085 178.032 175.800 0.245 0.000 1.090 443 F CA 1.381 59.498 58.000 0.195 0.000 1.307 443 F CB -0.288 38.800 39.000 0.146 0.000 1.019 443 F HN 0.198 nan 8.300 nan 0.000 0.489 444 M N 0.212 119.950 119.600 0.231 0.000 2.117 444 M HA -0.197 4.284 4.480 0.001 0.000 0.262 444 M C 2.224 178.565 176.300 0.069 0.000 1.065 444 M CA 1.620 57.017 55.300 0.161 0.000 1.114 444 M CB -1.312 31.413 32.600 0.209 0.000 1.361 444 M HN 0.071 nan 8.290 nan 0.000 0.408 445 K N -0.129 120.322 120.400 0.085 0.000 2.032 445 K HA -0.214 4.106 4.320 0.001 0.000 0.209 445 K C 2.051 178.659 176.600 0.014 0.000 1.048 445 K CA 1.521 57.847 56.287 0.065 0.000 0.927 445 K CB -0.746 31.804 32.500 0.083 0.000 0.712 445 K HN 0.281 nan 8.250 nan 0.000 0.441 446 Y N 0.510 120.730 120.300 -0.134 0.000 2.165 446 Y HA -0.224 4.326 4.550 0.001 0.000 0.286 446 Y C 2.140 177.865 175.900 -0.290 0.000 1.155 446 Y CA 2.320 60.301 58.100 -0.198 0.000 1.164 446 Y CB -0.311 38.005 38.460 -0.241 0.000 0.978 446 Y HN 0.155 nan 8.280 nan 0.000 0.513 447 M N 0.105 119.340 119.600 -0.608 0.000 2.159 447 M HA -0.256 4.225 4.480 0.001 0.000 0.263 447 M C 2.454 178.514 176.300 -0.400 0.000 1.063 447 M CA 2.149 57.080 55.300 -0.616 0.000 1.110 447 M CB -0.288 32.084 32.600 -0.380 0.000 1.374 447 M HN 0.556 nan 8.290 nan 0.000 0.411 448 Q N 0.303 119.999 119.800 -0.173 0.000 2.020 448 Q HA -0.223 4.118 4.340 0.001 0.000 0.202 448 Q C 1.523 177.440 176.000 -0.139 0.000 0.982 448 Q CA 1.994 57.772 55.803 -0.042 0.000 0.838 448 Q CB -0.130 28.685 28.738 0.129 0.000 0.899 448 Q HN 0.567 nan 8.270 nan 0.000 0.423 449 N N 0.614 119.215 118.700 -0.165 0.000 2.149 449 N HA -0.172 4.569 4.740 0.001 0.000 0.188 449 N C 1.595 176.957 175.510 -0.248 0.000 1.019 449 N CA 1.297 54.256 53.050 -0.153 0.000 0.857 449 N CB -0.266 38.160 38.487 -0.103 0.000 0.997 449 N HN 0.342 nan 8.380 nan 0.000 0.426 450 E N 0.110 120.034 120.200 -0.459 0.000 2.077 450 E HA -0.126 4.225 4.350 0.001 0.000 0.193 450 E C 1.869 178.154 176.600 -0.526 0.000 0.989 450 E CA 0.773 56.842 56.400 -0.550 0.000 0.800 450 E CB -0.356 28.844 29.700 -0.834 0.000 0.746 450 E HN 0.516 nan 8.360 nan 0.000 0.452 451 Y N 0.968 120.999 120.300 -0.449 0.000 2.200 451 Y HA -0.132 4.419 4.550 0.001 0.000 0.290 451 Y C 2.718 178.492 175.900 -0.210 0.000 1.137 451 Y CA 1.579 59.446 58.100 -0.388 0.000 1.163 451 Y CB -0.093 37.934 38.460 -0.721 0.000 0.988 451 Y HN -0.026 nan 8.280 nan 0.000 0.518 452 R N -0.555 119.909 120.500 -0.060 0.000 2.070 452 R HA -0.182 4.159 4.340 0.001 0.000 0.233 452 R C 2.574 178.840 176.300 -0.057 0.000 1.137 452 R CA 1.773 57.860 56.100 -0.023 0.000 0.945 452 R CB -0.666 29.627 30.300 -0.011 0.000 0.845 452 R HN 0.209 nan 8.270 nan 0.000 0.430 453 S N 0.116 115.757 115.700 -0.098 0.000 2.368 453 S HA -0.128 4.342 4.470 0.001 0.000 0.224 453 S C 1.504 176.042 174.600 -0.102 0.000 1.029 453 S CA 1.439 59.587 58.200 -0.087 0.000 0.988 453 S CB -0.023 63.126 63.200 -0.084 0.000 0.838 453 S HN 0.651 nan 8.310 nan 0.000 0.462 454 R N -1.392 119.010 120.500 -0.163 0.000 2.544 454 R HA 0.387 4.728 4.340 0.001 0.000 0.426 454 R C 0.911 177.117 176.300 -0.157 0.000 0.943 454 R CA 0.357 56.370 56.100 -0.145 0.000 1.162 454 R CB -0.538 29.670 30.300 -0.154 0.000 1.588 454 R HN 0.289 nan 8.270 nan 0.000 0.563 455 G N 0.020 108.716 108.800 -0.174 0.000 2.221 455 G HA2 -0.126 3.835 3.960 0.001 0.000 0.265 455 G HA3 -0.126 3.835 3.960 0.001 0.000 0.265 455 G C 0.195 174.958 174.900 -0.228 0.000 1.041 455 G CA 0.219 45.257 45.100 -0.104 0.000 0.807 455 G HN 0.925 nan 8.290 nan 0.000 0.502 456 G N -2.621 105.768 108.800 -0.685 0.000 2.466 456 G HA2 0.608 4.569 3.960 0.001 0.000 0.291 456 G HA3 0.608 4.569 3.960 0.001 0.000 0.291 456 G C -0.874 173.509 174.900 -0.861 0.000 1.460 456 G CA 0.245 44.916 45.100 -0.714 0.000 0.791 456 G HN 1.846 nan 8.290 nan 0.000 0.505 457 C N 2.266 121.258 119.300 -0.514 0.000 3.149 457 C HA 0.516 4.977 4.460 0.001 0.000 0.383 457 C C -2.690 172.182 174.990 -0.197 0.000 1.018 457 C CA -1.098 57.697 59.018 -0.371 0.000 1.293 457 C CB 0.530 27.998 27.740 -0.453 0.000 1.640 457 C HN 0.665 nan 8.230 nan 0.000 0.546 458 P HA 0.394 nan 4.420 nan 0.000 0.267 458 P C -0.463 176.746 177.300 -0.151 0.000 1.205 458 P CA 0.760 63.469 63.100 -0.652 0.000 0.765 458 P CB 1.068 32.252 31.700 -0.861 0.000 0.828 459 A N 2.573 125.377 122.820 -0.026 0.000 2.488 459 A HA 0.422 4.743 4.320 0.001 0.000 0.298 459 A C -1.091 176.562 177.584 0.114 0.000 1.044 459 A CA -0.538 51.573 52.037 0.123 0.000 0.693 459 A CB 1.331 20.516 19.000 0.309 0.000 1.272 459 A HN 0.448 nan 8.150 nan 0.000 0.402 460 D N 2.006 122.462 120.400 0.093 0.000 2.473 460 D HA 0.143 4.784 4.640 0.001 0.000 0.226 460 D C 0.785 177.225 176.300 0.233 0.000 1.089 460 D CA -0.516 53.572 54.000 0.146 0.000 0.883 460 D CB 0.408 41.243 40.800 0.058 0.000 1.029 460 D HN 0.610 nan 8.370 nan 0.000 0.517 461 W N 4.428 125.772 121.300 0.073 0.000 2.305 461 W HA -0.242 4.419 4.660 0.002 0.000 0.308 461 W C 1.742 178.301 176.519 0.066 0.000 1.226 461 W CA 1.301 58.675 57.345 0.049 0.000 1.253 461 W CB -0.073 29.396 29.460 0.016 0.000 1.146 461 W HN 0.483 nan 8.180 nan 0.000 0.507 462 I N -1.140 119.752 120.570 0.537 0.000 2.335 462 I HA -0.307 3.864 4.170 0.001 0.000 0.251 462 I C 1.709 177.953 176.117 0.213 0.000 1.129 462 I CA 1.464 63.017 61.300 0.423 0.000 1.402 462 I CB -0.621 37.633 38.000 0.423 0.000 1.069 462 I HN 0.092 nan 8.210 nan 0.000 0.424 463 W N 0.052 121.351 121.300 -0.001 0.000 2.812 463 W HA 0.144 4.804 4.660 0.001 0.000 0.263 463 W C 2.182 178.609 176.519 -0.153 0.000 1.284 463 W CA 0.191 57.503 57.345 -0.055 0.000 1.430 463 W CB -0.305 29.145 29.460 -0.018 0.000 1.088 463 W HN -0.033 nan 8.180 nan 0.000 0.623 464 L N -0.411 120.794 121.223 -0.030 0.000 2.179 464 L HA 0.004 4.344 4.340 0.001 0.000 0.208 464 L C 0.725 177.406 176.870 -0.316 0.000 1.096 464 L CA 0.341 55.034 54.840 -0.245 0.000 0.779 464 L CB -0.941 40.879 42.059 -0.398 0.000 0.922 464 L HN -0.407 nan 8.230 nan 0.000 0.443 465 V N 1.468 121.116 119.914 -0.444 0.000 2.521 465 V HA 0.090 4.211 4.120 0.001 0.000 0.286 465 V C -1.854 174.079 176.094 -0.268 0.000 1.034 465 V CA -1.228 60.801 62.300 -0.452 0.000 1.045 465 V CB 0.318 31.656 31.823 -0.808 0.000 0.974 465 V HN 0.046 nan 8.190 nan 0.000 0.480 466 P HA 0.109 nan 4.420 nan 0.000 0.268 466 P C -1.834 175.346 177.300 -0.200 0.000 1.208 466 P CA -1.046 61.940 63.100 -0.190 0.000 0.777 466 P CB 0.030 31.623 31.700 -0.179 0.000 0.875 467 P HA -0.022 nan 4.420 nan 0.000 0.242 467 P C 0.065 177.259 177.300 -0.178 0.000 1.197 467 P CA 1.238 64.225 63.100 -0.187 0.000 0.765 467 P CB 0.043 31.626 31.700 -0.194 0.000 0.936 468 M N -4.665 114.797 119.600 -0.229 0.000 2.531 468 M HA 0.521 5.002 4.480 0.001 0.000 0.286 468 M C -0.369 175.836 176.300 -0.158 0.000 1.232 468 M CA -0.621 54.563 55.300 -0.193 0.000 0.877 468 M CB 2.053 34.514 32.600 -0.231 0.000 1.726 468 M HN -0.374 nan 8.290 nan 0.000 0.463 469 S N 0.956 116.614 115.700 -0.069 0.000 3.581 469 S HA -0.176 4.295 4.470 0.001 0.000 0.354 469 S C 1.101 175.681 174.600 -0.033 0.000 1.059 469 S CA 0.873 59.070 58.200 -0.004 0.000 1.060 469 S CB -1.871 61.406 63.200 0.127 0.000 0.908 469 S HN 1.215 nan 8.310 nan 0.000 0.475 470 G N 2.349 111.100 108.800 -0.081 0.000 2.719 470 G HA2 -0.353 3.608 3.960 0.001 0.000 0.219 470 G HA3 -0.353 3.608 3.960 0.001 0.000 0.219 470 G C 1.447 176.234 174.900 -0.188 0.000 1.234 470 G CA 1.637 46.689 45.100 -0.081 0.000 0.788 470 G HN 1.336 nan 8.290 nan 0.000 0.619 471 S N 0.050 115.384 115.700 -0.610 0.000 2.603 471 S HA 0.111 4.581 4.470 0.001 0.000 0.229 471 S C 1.969 176.531 174.600 -0.064 0.000 0.972 471 S CA 0.445 58.152 58.200 -0.821 0.000 0.935 471 S CB -0.040 62.379 63.200 -1.301 0.000 0.769 471 S HN 0.187 nan 8.310 nan 0.000 0.536 472 I N 2.939 123.511 120.570 0.003 0.000 3.111 472 I HA 0.049 4.220 4.170 0.001 0.000 0.272 472 I C 1.271 177.510 176.117 0.202 0.000 1.268 472 I CA 0.592 61.966 61.300 0.124 0.000 1.467 472 I CB -1.748 36.346 38.000 0.158 0.000 1.087 472 I HN 0.502 nan 8.210 nan 0.000 0.467 473 T N -1.099 113.569 114.554 0.189 0.000 2.902 473 T HA 0.343 4.694 4.350 0.001 0.000 0.283 473 T C -1.374 173.504 174.700 0.295 0.000 1.009 473 T CA -1.784 60.442 62.100 0.210 0.000 1.051 473 T CB 2.176 71.116 68.868 0.120 0.000 0.999 473 T HN -0.083 nan 8.240 nan 0.000 0.474 474 P HA -0.095 nan 4.420 nan 0.000 0.222 474 P C 1.778 179.296 177.300 0.363 0.000 1.147 474 P CA 0.951 64.252 63.100 0.335 0.000 0.790 474 P CB -0.330 31.515 31.700 0.241 0.000 0.780 475 V N -3.711 116.361 119.914 0.265 0.000 2.626 475 V HA -0.192 3.928 4.120 0.001 0.000 0.252 475 V C 2.347 178.520 176.094 0.133 0.000 1.067 475 V CA 1.258 63.673 62.300 0.192 0.000 1.081 475 V CB -2.221 29.622 31.823 0.034 0.000 0.686 475 V HN -0.104 nan 8.190 nan 0.000 0.468 476 F N 2.439 122.369 119.950 -0.034 0.000 2.216 476 F HA -0.109 4.419 4.527 0.002 0.000 0.300 476 F C 2.076 177.969 175.800 0.154 0.000 1.085 476 F CA 2.201 60.165 58.000 -0.060 0.000 1.326 476 F CB -0.374 38.508 39.000 -0.197 0.000 1.027 476 F HN 0.313 nan 8.300 nan 0.000 0.497 477 H N -1.412 117.988 119.070 0.550 0.000 2.539 477 H HA 0.156 4.713 4.556 0.001 0.000 0.267 477 H C 0.253 175.844 175.328 0.440 0.000 0.982 477 H CA 0.125 56.462 56.048 0.482 0.000 1.146 477 H CB -0.158 29.869 29.762 0.442 0.000 1.382 477 H HN 0.155 nan 8.280 nan 0.000 0.577 478 Q N 1.964 122.053 119.800 0.482 0.000 2.303 478 Q HA 0.144 4.485 4.340 0.001 0.000 0.257 478 Q C -0.664 175.599 176.000 0.438 0.000 0.941 478 Q CA -0.434 55.620 55.803 0.418 0.000 0.931 478 Q CB 0.656 29.631 28.738 0.395 0.000 1.215 478 Q HN 0.353 nan 8.270 nan 0.000 0.437 479 E N 3.746 124.151 120.200 0.342 0.000 2.366 479 E HA 0.344 4.694 4.350 0.001 0.000 0.266 479 E C -0.508 176.261 176.600 0.282 0.000 1.051 479 E CA 0.118 56.676 56.400 0.265 0.000 0.884 479 E CB 0.915 30.750 29.700 0.224 0.000 1.006 479 E HN 0.603 nan 8.360 nan 0.000 0.417 480 M N 1.905 121.660 119.600 0.258 0.000 2.531 480 M HA 0.358 4.839 4.480 0.001 0.000 0.286 480 M C -1.436 174.995 176.300 0.219 0.000 1.232 480 M CA -1.040 54.430 55.300 0.283 0.000 0.877 480 M CB 1.570 34.381 32.600 0.351 0.000 1.726 480 M HN 0.176 nan 8.290 nan 0.000 0.463 481 L N 2.129 123.504 121.223 0.253 0.000 2.322 481 L HA 0.512 4.853 4.340 0.001 0.000 0.281 481 L C -0.588 176.417 176.870 0.225 0.000 1.014 481 L CA -0.163 54.834 54.840 0.261 0.000 0.815 481 L CB 1.444 43.723 42.059 0.366 0.000 1.247 481 L HN 0.602 nan 8.230 nan 0.000 0.421 482 N N 2.769 121.585 118.700 0.194 0.000 2.417 482 N HA 0.588 5.329 4.740 0.001 0.000 0.274 482 N C -1.543 174.066 175.510 0.164 0.000 0.987 482 N CA -0.310 52.784 53.050 0.075 0.000 0.912 482 N CB 0.732 39.266 38.487 0.079 0.000 1.177 482 N HN 0.387 nan 8.380 nan 0.000 0.490 483 Y N 0.076 120.396 120.300 0.035 0.000 2.625 483 Y HA 0.675 5.226 4.550 0.001 0.000 0.338 483 Y C -1.263 174.596 175.900 -0.069 0.000 1.123 483 Y CA -1.375 56.719 58.100 -0.011 0.000 1.046 483 Y CB 0.698 39.166 38.460 0.014 0.000 1.299 483 Y HN 0.017 nan 8.280 nan 0.000 0.464 484 V N 3.647 123.545 119.914 -0.028 0.000 2.347 484 V HA 0.425 4.546 4.120 0.001 0.000 0.280 484 V C 0.038 175.995 176.094 -0.227 0.000 1.021 484 V CA -0.495 61.562 62.300 -0.406 0.000 0.847 484 V CB 0.674 32.075 31.823 -0.704 0.000 0.990 484 V HN 0.744 nan 8.190 nan 0.000 0.444 485 L N 2.701 123.832 121.223 -0.154 0.000 2.687 485 L HA 0.735 5.076 4.340 0.001 0.000 0.252 485 L C 0.310 177.168 176.870 -0.019 0.000 1.115 485 L CA -0.492 54.341 54.840 -0.012 0.000 0.893 485 L CB 1.588 43.684 42.059 0.061 0.000 1.670 485 L HN 0.621 nan 8.230 nan 0.000 0.531 486 S N -0.531 115.197 115.700 0.046 0.000 2.575 486 S HA 0.560 5.030 4.470 0.001 0.000 0.278 486 S C -2.710 171.935 174.600 0.075 0.000 1.139 486 S CA -1.209 57.039 58.200 0.080 0.000 0.954 486 S CB 1.836 65.096 63.200 0.100 0.000 1.054 486 S HN 0.154 nan 8.310 nan 0.000 0.483 487 P HA 0.451 nan 4.420 nan 0.000 0.270 487 P C -1.261 176.003 177.300 -0.059 0.000 1.223 487 P CA -0.153 62.917 63.100 -0.050 0.000 0.785 487 P CB 0.224 31.817 31.700 -0.179 0.000 0.923 488 F N 0.666 120.419 119.950 -0.328 0.000 2.654 488 F HA 0.442 4.970 4.527 0.002 0.000 0.308 488 F C -1.556 173.930 175.800 -0.524 0.000 1.108 488 F CA -0.832 56.889 58.000 -0.466 0.000 0.957 488 F CB 1.283 39.979 39.000 -0.507 0.000 1.309 488 F HN 0.159 nan 8.300 nan 0.000 0.446 489 Y N 4.346 124.153 120.300 -0.823 0.000 2.385 489 Y HA 0.432 4.983 4.550 0.001 0.000 0.341 489 Y C -0.873 174.676 175.900 -0.585 0.000 0.965 489 Y CA -0.624 57.176 58.100 -0.499 0.000 1.180 489 Y CB 0.354 38.527 38.460 -0.479 0.000 1.139 489 Y HN 0.384 nan 8.280 nan 0.000 0.502 490 Y N 1.280 121.609 120.300 0.049 0.000 2.432 490 Y HA 0.381 4.932 4.550 0.001 0.000 0.322 490 Y C -0.248 175.637 175.900 -0.023 0.000 1.246 490 Y CA -0.995 57.130 58.100 0.042 0.000 1.268 490 Y CB 0.787 39.335 38.460 0.148 0.000 1.276 490 Y HN 0.416 nan 8.280 nan 0.000 0.499 491 Y N 0.518 120.978 120.300 0.266 0.000 2.295 491 Y HA 0.357 4.907 4.550 0.001 0.000 0.331 491 Y C 0.096 176.062 175.900 0.111 0.000 1.311 491 Y CA -0.939 57.239 58.100 0.131 0.000 1.430 491 Y CB 0.603 39.114 38.460 0.084 0.000 1.339 491 Y HN 0.443 nan 8.280 nan 0.000 0.552 492 Q N -0.419 119.510 119.800 0.215 0.000 2.528 492 Q HA 0.591 4.932 4.340 0.001 0.000 0.289 492 Q C -1.479 174.503 176.000 -0.030 0.000 1.091 492 Q CA -1.284 54.561 55.803 0.070 0.000 0.797 492 Q CB 2.582 31.334 28.738 0.024 0.000 1.466 492 Q HN 0.321 nan 8.270 nan 0.000 0.436 493 V N 2.069 121.922 119.914 -0.101 0.000 2.649 493 V HA 0.039 4.160 4.120 0.001 0.000 0.292 493 V C 0.115 175.998 176.094 -0.352 0.000 1.055 493 V CA -0.469 61.717 62.300 -0.191 0.000 1.023 493 V CB 1.021 32.742 31.823 -0.170 0.000 0.992 493 V HN 0.615 nan 8.190 nan 0.000 0.480 494 E N 2.892 122.773 120.200 -0.532 0.000 2.608 494 E HA -0.078 4.273 4.350 0.001 0.000 0.259 494 E C 1.155 177.169 176.600 -0.977 0.000 0.951 494 E CA 0.632 56.428 56.400 -1.007 0.000 0.945 494 E CB 0.330 29.038 29.700 -1.653 0.000 0.916 494 E HN 0.755 nan 8.360 nan 0.000 0.477 495 A N 4.007 126.219 122.820 -1.013 0.000 1.933 495 A HA -0.178 4.142 4.320 0.001 0.000 0.218 495 A C 1.755 178.716 177.584 -1.038 0.000 1.175 495 A CA 1.502 52.913 52.037 -1.045 0.000 0.628 495 A CB -0.853 17.176 19.000 -1.619 0.000 0.814 495 A HN 0.843 nan 8.150 nan 0.000 0.444 496 W N -0.051 120.700 121.300 -0.916 0.000 2.611 496 W HA 0.090 4.751 4.660 0.002 0.000 0.251 496 W C 1.190 177.675 176.519 -0.057 0.000 1.265 496 W CA 0.941 58.050 57.345 -0.393 0.000 1.295 496 W CB -0.109 29.363 29.460 0.021 0.000 1.129 496 W HN 0.127 nan 8.180 nan 0.000 0.630 497 K N 0.341 120.529 120.400 -0.354 0.000 2.400 497 K HA 0.071 4.392 4.320 0.001 0.000 0.194 497 K C 1.516 178.064 176.600 -0.087 0.000 1.033 497 K CA 1.414 57.607 56.287 -0.156 0.000 1.021 497 K CB 0.087 32.418 32.500 -0.282 0.000 0.808 497 K HN 0.358 nan 8.250 nan 0.000 0.505 498 T N -3.804 110.675 114.554 -0.124 0.000 2.969 498 T HA 0.023 4.373 4.350 0.001 0.000 0.258 498 T C 0.327 175.010 174.700 -0.027 0.000 0.962 498 T CA -0.385 61.670 62.100 -0.075 0.000 0.903 498 T CB -0.237 68.560 68.868 -0.118 0.000 1.177 498 T HN 0.075 nan 8.240 nan 0.000 0.511 499 H N 1.667 120.658 119.070 -0.132 0.000 2.928 499 H HA 0.423 4.980 4.556 0.001 0.000 0.338 499 H C -0.621 174.662 175.328 -0.075 0.000 1.047 499 H CA 0.075 56.037 56.048 -0.144 0.000 1.435 499 H CB 0.501 30.139 29.762 -0.207 0.000 1.428 499 H HN 0.066 nan 8.280 nan 0.000 0.590 500 V N 7.325 126.820 119.914 -0.698 0.000 2.304 500 V HA 0.048 4.169 4.120 0.001 0.000 0.269 500 V C -0.474 175.205 176.094 -0.692 0.000 1.036 500 V CA -0.622 61.424 62.300 -0.423 0.000 0.840 500 V CB -0.342 31.342 31.823 -0.232 0.000 1.036 500 V HN 0.747 nan 8.190 nan 0.000 0.466 501 W N 3.783 124.881 121.300 -0.338 0.000 2.223 501 W HA 0.226 4.887 4.660 0.001 0.000 0.334 501 W C 1.165 177.642 176.519 -0.071 0.000 1.334 501 W CA -0.141 57.133 57.345 -0.119 0.000 1.246 501 W CB 0.270 29.772 29.460 0.069 0.000 1.184 501 W HN 0.543 nan 8.180 nan 0.000 0.563 502 Q N 2.066 121.966 119.800 0.168 0.000 2.242 502 Q HA 0.279 4.620 4.340 0.001 0.000 0.246 502 Q C 0.268 176.350 176.000 0.136 0.000 0.883 502 Q CA 0.277 56.139 55.803 0.099 0.000 0.984 502 Q CB -0.039 28.724 28.738 0.041 0.000 1.096 502 Q HN 0.682 nan 8.270 nan 0.000 0.452 503 D N 0.000 120.520 120.400 0.200 0.000 6.856 503 D HA 0.000 4.641 4.640 0.001 0.000 0.175 503 D CA 0.000 54.084 54.000 0.141 0.000 0.868 503 D CB 0.000 40.889 40.800 0.149 0.000 0.688 503 D HN 0.000 nan 8.370 nan 0.000 0.683