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 1nsi_1_C 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 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 0.000 176.269 176.300 -0.052 0.000 0.893 83 R CA 0.000 56.096 56.100 -0.006 0.000 0.921 83 R CB 0.000 30.363 30.300 0.104 0.000 0.687 84 H N 1.491 120.685 119.070 0.205 0.000 2.622 84 H HA 0.703 5.259 4.556 0.000 0.000 0.363 84 H C -0.792 174.603 175.328 0.112 0.000 1.151 84 H CA -0.924 55.226 56.048 0.170 0.000 1.184 84 H CB 2.279 32.108 29.762 0.111 0.000 1.643 84 H HN 0.204 nan 8.280 nan 0.000 0.531 85 V N 2.410 122.418 119.914 0.156 0.000 2.407 85 V HA 0.293 4.414 4.120 0.000 0.000 0.291 85 V C 0.165 176.295 176.094 0.059 0.000 1.018 85 V CA -0.881 61.444 62.300 0.042 0.000 0.842 85 V CB 1.241 32.977 31.823 -0.144 0.000 0.996 85 V HN 0.659 nan 8.190 nan 0.000 0.426 86 R N 4.730 125.260 120.500 0.051 0.000 2.351 86 R HA 0.331 4.671 4.340 0.000 0.000 0.318 86 R C -0.900 175.398 176.300 -0.004 0.000 1.055 86 R CA -0.266 55.844 56.100 0.017 0.000 0.968 86 R CB 0.278 30.575 30.300 -0.006 0.000 0.974 86 R HN 0.480 nan 8.270 nan 0.000 0.439 87 I N 4.234 124.794 120.570 -0.017 0.000 2.412 87 I HA 0.344 4.514 4.170 0.000 0.000 0.296 87 I C -0.097 175.936 176.117 -0.141 0.000 0.987 87 I CA -0.457 60.829 61.300 -0.023 0.000 1.180 87 I CB 1.649 39.667 38.000 0.031 0.000 1.340 87 I HN 0.605 nan 8.210 nan 0.000 0.455 88 K N 4.897 125.175 120.400 -0.205 0.000 2.469 88 K HA 0.349 4.669 4.320 0.000 0.000 0.254 88 K C -0.899 175.434 176.600 -0.445 0.000 0.939 88 K CA -0.665 55.352 56.287 -0.450 0.000 0.812 88 K CB 1.955 34.006 32.500 -0.748 0.000 1.301 88 K HN 0.541 nan 8.250 nan 0.000 0.433 89 N N 3.708 122.155 118.700 -0.421 0.000 2.501 89 N HA 0.109 4.849 4.740 0.000 0.000 0.245 89 N C -0.267 175.110 175.510 -0.223 0.000 0.974 89 N CA -0.341 52.602 53.050 -0.178 0.000 0.941 89 N CB 0.443 38.887 38.487 -0.071 0.000 1.122 89 N HN 0.639 nan 8.380 nan 0.000 0.507 90 W N 2.292 123.649 121.300 0.095 0.000 2.721 90 W HA 0.163 4.824 4.660 0.000 0.000 0.245 90 W C 1.981 178.510 176.519 0.016 0.000 1.276 90 W CA -0.037 57.348 57.345 0.067 0.000 1.342 90 W CB 0.280 29.806 29.460 0.110 0.000 1.135 90 W HN 0.629 nan 8.180 nan 0.000 0.654 91 G N -0.754 108.140 108.800 0.156 0.000 2.595 91 G HA2 -0.079 3.882 3.960 0.000 0.000 0.213 91 G HA3 -0.079 3.882 3.960 0.000 0.000 0.213 91 G C 1.331 176.227 174.900 -0.007 0.000 1.141 91 G CA 0.961 46.056 45.100 -0.008 0.000 0.806 91 G HN 0.250 nan 8.290 nan 0.000 0.530 92 S N -2.045 113.648 115.700 -0.013 0.000 2.687 92 S HA 0.403 4.873 4.470 0.000 0.000 0.247 92 S C 1.658 176.202 174.600 -0.092 0.000 1.050 92 S CA 1.015 59.188 58.200 -0.044 0.000 1.063 92 S CB 0.587 63.764 63.200 -0.038 0.000 1.039 92 S HN 1.420 nan 8.310 nan 0.000 0.580 93 G N 1.714 110.434 108.800 -0.134 0.000 2.184 93 G HA2 -0.328 3.632 3.960 0.000 0.000 0.264 93 G HA3 -0.328 3.632 3.960 0.000 0.000 0.264 93 G C 0.009 174.743 174.900 -0.276 0.000 0.975 93 G CA 0.438 45.417 45.100 -0.201 0.000 0.642 93 G HN 0.658 nan 8.290 nan 0.000 0.536 94 M N 2.075 121.497 119.600 -0.297 0.000 2.269 94 M HA 0.539 5.019 4.480 0.000 0.000 0.350 94 M C 0.534 176.459 176.300 -0.625 0.000 1.429 94 M CA 0.718 55.756 55.300 -0.437 0.000 1.063 94 M CB 0.688 33.029 32.600 -0.432 0.000 1.841 94 M HN 0.343 nan 8.290 nan 0.000 0.455 95 T N 5.505 119.666 114.554 -0.656 0.000 2.841 95 T HA 0.721 5.071 4.350 0.000 0.000 0.283 95 T C -1.347 172.947 174.700 -0.676 0.000 1.000 95 T CA -0.519 61.221 62.100 -0.600 0.000 0.977 95 T CB 0.284 68.939 68.868 -0.357 0.000 0.979 95 T HN 0.433 nan 8.240 nan 0.000 0.446 96 F N 2.248 122.026 119.950 -0.287 0.000 2.556 96 F HA 0.611 5.139 4.527 0.000 0.000 0.327 96 F C 0.294 175.991 175.800 -0.172 0.000 1.059 96 F CA -1.021 56.767 58.000 -0.353 0.000 0.953 96 F CB 1.981 40.415 39.000 -0.943 0.000 1.227 96 F HN 0.285 nan 8.300 nan 0.000 0.478 97 Q N 1.802 121.738 119.800 0.226 0.000 2.347 97 Q HA 0.173 4.513 4.340 0.000 0.000 0.265 97 Q C -1.371 174.853 176.000 0.374 0.000 1.024 97 Q CA -0.381 55.569 55.803 0.245 0.000 0.731 97 Q CB 2.214 31.076 28.738 0.207 0.000 1.245 97 Q HN 0.619 nan 8.270 nan 0.000 0.472 98 D N 1.434 122.021 120.400 0.312 0.000 2.277 98 D HA 0.172 4.812 4.640 0.000 0.000 0.249 98 D C 0.536 176.919 176.300 0.139 0.000 1.134 98 D CA 0.186 54.337 54.000 0.252 0.000 0.863 98 D CB 1.263 42.157 40.800 0.158 0.000 1.143 98 D HN 0.573 nan 8.370 nan 0.000 0.458 99 T N 0.754 115.393 114.554 0.142 0.000 2.969 99 T HA -0.037 4.313 4.350 0.000 0.000 0.258 99 T C 1.750 176.472 174.700 0.036 0.000 0.962 99 T CA -0.266 61.911 62.100 0.129 0.000 0.903 99 T CB -0.016 68.880 68.868 0.047 0.000 1.177 99 T HN 0.232 nan 8.240 nan 0.000 0.511 100 L N 3.203 124.423 121.223 -0.004 0.000 2.191 100 L HA -0.026 4.314 4.340 0.000 0.000 0.212 100 L C 2.468 179.154 176.870 -0.308 0.000 1.103 100 L CA 1.813 56.597 54.840 -0.093 0.000 0.769 100 L CB -0.819 41.210 42.059 -0.049 0.000 0.908 100 L HN 0.586 nan 8.230 nan 0.000 0.438 101 H N -2.875 115.701 119.070 -0.825 0.000 2.543 101 H HA -0.137 4.419 4.556 0.000 0.000 0.286 101 H C 1.593 176.523 175.328 -0.664 0.000 1.037 101 H CA 1.512 56.796 56.048 -1.273 0.000 1.250 101 H CB -0.931 28.129 29.762 -1.169 0.000 1.373 101 H HN 0.493 nan 8.280 nan 0.000 0.580 102 H N 1.351 120.005 119.070 -0.695 0.000 2.423 102 H HA 0.034 4.590 4.556 0.000 0.000 0.297 102 H C 1.291 176.455 175.328 -0.274 0.000 1.075 102 H CA 1.035 56.783 56.048 -0.501 0.000 1.342 102 H CB 0.259 29.768 29.762 -0.421 0.000 1.395 102 H HN 0.317 nan 8.280 nan 0.000 0.530 103 K N 0.677 121.008 120.400 -0.116 0.000 2.505 103 K HA 0.212 4.532 4.320 0.000 0.000 0.192 103 K C 0.587 177.160 176.600 -0.044 0.000 1.025 103 K CA 0.013 56.267 56.287 -0.054 0.000 1.086 103 K CB 0.503 32.989 32.500 -0.024 0.000 0.840 103 K HN 0.142 nan 8.250 nan 0.000 0.514 104 A N 1.316 124.079 122.820 -0.095 0.000 2.386 104 A HA 0.189 4.509 4.320 0.000 0.000 0.248 104 A C -0.472 177.100 177.584 -0.020 0.000 1.082 104 A CA -0.329 51.690 52.037 -0.030 0.000 0.789 104 A CB 0.243 19.218 19.000 -0.042 0.000 1.025 104 A HN 0.197 nan 8.150 nan 0.000 0.490 105 K N 1.673 122.069 120.400 -0.007 0.000 2.273 105 K HA 0.301 4.622 4.320 0.000 0.000 0.287 105 K C 0.555 177.150 176.600 -0.008 0.000 1.089 105 K CA 0.173 56.455 56.287 -0.008 0.000 0.909 105 K CB 0.920 33.417 32.500 -0.005 0.000 1.123 105 K HN 0.742 nan 8.250 nan 0.000 0.473 106 G N 4.184 112.981 108.800 -0.005 0.000 2.687 106 G HA2 0.075 4.035 3.960 0.000 0.000 0.288 106 G HA3 0.075 4.035 3.960 0.000 0.000 0.288 106 G C 0.722 175.625 174.900 0.005 0.000 0.713 106 G CA -0.084 45.018 45.100 0.002 0.000 2.023 106 G HN 0.834 nan 8.290 nan 0.000 0.529 107 I N -0.576 119.998 120.570 0.007 0.000 4.327 107 I HA 0.367 4.537 4.170 0.000 0.000 0.331 107 I C 0.519 176.649 176.117 0.022 0.000 1.348 107 I CA -0.496 60.811 61.300 0.011 0.000 1.152 107 I CB 0.001 38.009 38.000 0.012 0.000 1.151 107 I HN 0.043 nan 8.210 nan 0.000 0.410 108 L N 2.486 123.725 121.223 0.026 0.000 2.483 108 L HA 0.097 4.437 4.340 0.000 0.000 0.275 108 L C 1.794 178.687 176.870 0.038 0.000 1.220 108 L CA 0.380 55.243 54.840 0.038 0.000 0.833 108 L CB 0.815 42.904 42.059 0.050 0.000 1.102 108 L HN 0.315 nan 8.230 nan 0.000 0.490 109 T N -2.963 111.617 114.554 0.043 0.000 3.100 109 T HA 0.027 4.377 4.350 0.000 0.000 0.253 109 T C 0.673 175.396 174.700 0.037 0.000 1.118 109 T CA -0.311 61.812 62.100 0.038 0.000 1.058 109 T CB -0.347 68.545 68.868 0.041 0.000 0.953 109 T HN 0.484 nan 8.240 nan 0.000 0.515 110 C N 3.569 122.895 119.300 0.042 0.000 2.651 110 C HA 0.514 4.974 4.460 0.000 0.000 0.410 110 C C 0.709 175.720 174.990 0.034 0.000 1.372 110 C CA -0.651 58.392 59.018 0.040 0.000 1.707 110 C CB -1.010 26.758 27.740 0.047 0.000 2.501 110 C HN 0.418 nan 8.230 nan 0.000 0.598 111 R N 1.929 122.447 120.500 0.029 0.000 2.902 111 R HA 0.355 4.695 4.340 0.000 0.000 0.258 111 R C 1.319 177.633 176.300 0.024 0.000 1.071 111 R CA -0.730 55.385 56.100 0.025 0.000 1.024 111 R CB 0.700 31.013 30.300 0.022 0.000 1.184 111 R HN 0.760 nan 8.270 nan 0.000 0.492 112 S N 0.279 115.992 115.700 0.022 0.000 2.419 112 S HA -0.141 4.329 4.470 0.000 0.000 0.235 112 S C 1.061 175.671 174.600 0.017 0.000 1.019 112 S CA 1.121 59.333 58.200 0.020 0.000 0.982 112 S CB -0.025 63.186 63.200 0.019 0.000 0.789 112 S HN 0.486 nan 8.310 nan 0.000 0.490 113 K N 1.200 121.610 120.400 0.016 0.000 2.243 113 K HA 0.120 4.440 4.320 0.000 0.000 0.201 113 K C 0.312 176.921 176.600 0.014 0.000 1.051 113 K CA 0.843 57.138 56.287 0.014 0.000 0.970 113 K CB 0.127 32.635 32.500 0.013 0.000 0.755 113 K HN 0.612 nan 8.250 nan 0.000 0.465 114 S N -0.532 115.178 115.700 0.017 0.000 2.543 114 S HA 0.201 4.671 4.470 0.000 0.000 0.273 114 S C -0.889 173.725 174.600 0.023 0.000 1.152 114 S CA -1.283 56.929 58.200 0.019 0.000 0.910 114 S CB 1.223 64.435 63.200 0.019 0.000 1.105 114 S HN 0.204 nan 8.310 nan 0.000 0.465 115 C N 5.191 124.505 119.300 0.023 0.000 2.273 115 C HA 0.673 5.133 4.460 0.000 0.000 0.328 115 C C 0.244 175.256 174.990 0.036 0.000 1.275 115 C CA -0.798 58.237 59.018 0.029 0.000 1.704 115 C CB -1.398 26.355 27.740 0.023 0.000 2.326 115 C HN 0.875 nan 8.230 nan 0.000 0.517 116 L N 6.395 127.645 121.223 0.045 0.000 3.047 116 L HA 0.354 4.694 4.340 0.000 0.000 0.242 116 L C 1.538 178.451 176.870 0.071 0.000 1.315 116 L CA -0.016 54.857 54.840 0.054 0.000 1.042 116 L CB -0.265 41.825 42.059 0.051 0.000 1.420 116 L HN 0.965 nan 8.230 nan 0.000 0.517 117 G N 0.324 109.170 108.800 0.076 0.000 2.511 117 G HA2 -0.173 3.788 3.960 0.000 0.000 0.217 117 G HA3 -0.173 3.788 3.960 0.000 0.000 0.217 117 G C 1.425 176.408 174.900 0.138 0.000 1.133 117 G CA 0.863 46.024 45.100 0.103 0.000 0.792 117 G HN 0.536 nan 8.290 nan 0.000 0.539 118 S N 0.097 115.870 115.700 0.122 0.000 2.650 118 S HA 0.272 4.742 4.470 0.000 0.000 0.219 118 S C 0.717 175.405 174.600 0.146 0.000 0.960 118 S CA -0.412 57.875 58.200 0.144 0.000 0.925 118 S CB -0.013 63.251 63.200 0.107 0.000 0.775 118 S HN -0.001 nan 8.310 nan 0.000 0.525 119 I N 2.780 123.428 120.570 0.130 0.000 2.436 119 I HA 0.164 4.334 4.170 0.000 0.000 0.289 119 I C 1.412 177.623 176.117 0.155 0.000 1.083 119 I CA -0.139 61.231 61.300 0.116 0.000 1.372 119 I CB 0.187 38.239 38.000 0.086 0.000 1.408 119 I HN 0.375 nan 8.210 nan 0.000 0.516 120 M N 5.071 124.773 119.600 0.170 0.000 2.065 120 M HA -0.160 4.321 4.480 0.000 0.000 0.259 120 M C 0.560 176.930 176.300 0.117 0.000 1.071 120 M CA 1.922 57.365 55.300 0.239 0.000 1.109 120 M CB 0.147 32.872 32.600 0.207 0.000 1.313 120 M HN 0.564 nan 8.290 nan 0.000 0.408 121 T N 2.463 117.021 114.554 0.006 0.000 3.390 121 T HA 0.385 4.735 4.350 0.000 0.000 0.351 121 T C -2.402 172.289 174.700 -0.014 0.000 1.759 121 T CA -1.214 60.810 62.100 -0.127 0.000 1.561 121 T CB 0.242 68.932 68.868 -0.296 0.000 1.011 121 T HN 0.343 nan 8.240 nan 0.000 0.689 122 P HA 0.247 nan 4.420 nan 0.000 0.272 122 P C 0.696 178.050 177.300 0.090 0.000 1.223 122 P CA -0.390 62.755 63.100 0.074 0.000 0.784 122 P CB 1.369 33.123 31.700 0.090 0.000 0.923 123 K N 1.552 121.991 120.400 0.064 0.000 2.283 123 K HA -0.098 4.222 4.320 0.000 0.000 0.202 123 K C 1.925 178.575 176.600 0.084 0.000 1.048 123 K CA 1.677 58.000 56.287 0.061 0.000 0.948 123 K CB -0.799 31.721 32.500 0.032 0.000 0.742 123 K HN 0.518 nan 8.250 nan 0.000 0.458 124 S N -0.347 115.408 115.700 0.091 0.000 2.423 124 S HA -0.076 4.394 4.470 0.000 0.000 0.231 124 S C 1.626 176.326 174.600 0.166 0.000 1.014 124 S CA 0.818 59.075 58.200 0.095 0.000 0.965 124 S CB -0.261 62.982 63.200 0.071 0.000 0.785 124 S HN 0.279 nan 8.310 nan 0.000 0.495 125 L N 1.387 122.747 121.223 0.228 0.000 2.607 125 L HA 0.233 4.573 4.340 0.000 0.000 0.228 125 L C 0.020 177.188 176.870 0.497 0.000 1.123 125 L CA 0.044 55.095 54.840 0.352 0.000 0.890 125 L CB -0.119 42.144 42.059 0.340 0.000 1.103 125 L HN 0.230 nan 8.230 nan 0.000 0.468 126 T N 0.280 115.042 114.554 0.347 0.000 2.867 126 T HA 0.412 4.762 4.350 0.000 0.000 0.282 126 T C 0.108 174.874 174.700 0.109 0.000 1.000 126 T CA -0.590 61.674 62.100 0.274 0.000 1.042 126 T CB 1.975 70.940 68.868 0.162 0.000 0.973 126 T HN -0.079 nan 8.240 nan 0.000 0.465 127 R N 1.969 122.504 120.500 0.059 0.000 2.335 127 R HA 0.420 4.760 4.340 0.000 0.000 0.302 127 R C 0.656 176.931 176.300 -0.041 0.000 1.147 127 R CA -0.456 55.587 56.100 -0.094 0.000 1.111 127 R CB 0.931 31.120 30.300 -0.185 0.000 1.122 127 R HN 0.917 nan 8.270 nan 0.000 0.557 128 G N 3.410 112.180 108.800 -0.050 0.000 2.712 128 G HA2 0.178 4.138 3.960 0.000 0.000 0.258 128 G HA3 0.178 4.138 3.960 0.000 0.000 0.258 128 G C -1.928 172.937 174.900 -0.058 0.000 1.241 128 G CA -0.471 44.598 45.100 -0.052 0.000 0.923 128 G HN 0.293 nan 8.290 nan 0.000 0.548 129 P HA 0.367 nan 4.420 nan 0.000 0.278 129 P C -0.782 176.485 177.300 -0.055 0.000 1.266 129 P CA -0.426 62.638 63.100 -0.060 0.000 0.807 129 P CB 1.128 32.784 31.700 -0.073 0.000 1.094 130 R N -0.585 119.885 120.500 -0.051 0.000 2.771 130 R HA 0.491 4.831 4.340 0.000 0.000 0.274 130 R C -0.748 175.523 176.300 -0.048 0.000 0.987 130 R CA -0.761 55.311 56.100 -0.046 0.000 0.908 130 R CB 0.750 31.025 30.300 -0.042 0.000 1.213 130 R HN 0.202 nan 8.270 nan 0.000 0.468 131 D N 0.335 120.709 120.400 -0.044 0.000 2.395 131 D HA 0.121 4.761 4.640 0.000 0.000 0.213 131 D C -0.726 175.553 176.300 -0.034 0.000 1.110 131 D CA -0.330 53.641 54.000 -0.048 0.000 0.835 131 D CB 0.219 40.990 40.800 -0.049 0.000 0.965 131 D HN 0.597 nan 8.370 nan 0.000 0.505 132 K N -1.090 119.295 120.400 -0.024 0.000 2.569 132 K HA 0.423 4.743 4.320 0.000 0.000 0.259 132 K C -3.190 173.405 176.600 -0.008 0.000 0.932 132 K CA -1.647 54.634 56.287 -0.011 0.000 0.833 132 K CB 1.328 33.823 32.500 -0.009 0.000 1.340 132 K HN -0.307 nan 8.250 nan 0.000 0.429 133 P HA -0.133 nan 4.420 nan 0.000 0.269 133 P C -0.249 177.048 177.300 -0.004 0.000 1.205 133 P CA 0.135 63.234 63.100 -0.001 0.000 0.780 133 P CB 0.151 31.857 31.700 0.010 0.000 0.858 134 T N -1.090 113.460 114.554 -0.007 0.000 2.870 134 T HA 0.255 4.605 4.350 0.000 0.000 0.300 134 T C -2.357 172.348 174.700 0.008 0.000 0.989 134 T CA -1.668 60.430 62.100 -0.004 0.000 1.139 134 T CB -0.642 68.224 68.868 -0.003 0.000 0.920 134 T HN 0.182 nan 8.240 nan 0.000 0.537 135 P HA 0.132 nan 4.420 nan 0.000 0.261 135 P C -1.890 175.419 177.300 0.015 0.000 1.183 135 P CA -1.136 61.969 63.100 0.008 0.000 0.761 135 P CB 0.141 31.843 31.700 0.003 0.000 0.785 136 P HA -0.198 nan 4.420 nan 0.000 0.222 136 P C 0.728 178.036 177.300 0.013 0.000 1.142 136 P CA 1.370 64.484 63.100 0.022 0.000 0.788 136 P CB 0.105 31.817 31.700 0.020 0.000 0.767 137 D N -0.847 119.559 120.400 0.009 0.000 2.162 137 D HA -0.124 4.516 4.640 0.000 0.000 0.203 137 D C 1.901 178.205 176.300 0.007 0.000 0.967 137 D CA 1.040 55.043 54.000 0.005 0.000 0.840 137 D CB -0.291 40.510 40.800 0.002 0.000 0.972 137 D HN 0.453 nan 8.370 nan 0.000 0.482 138 E N -0.087 120.119 120.200 0.010 0.000 2.400 138 E HA -0.026 4.324 4.350 0.000 0.000 0.195 138 E C 1.905 178.519 176.600 0.023 0.000 1.012 138 E CA 0.123 56.531 56.400 0.012 0.000 0.875 138 E CB -0.101 29.602 29.700 0.006 0.000 0.859 138 E HN 0.135 nan 8.360 nan 0.000 0.498 139 L N 0.788 122.029 121.223 0.031 0.000 2.162 139 L HA 0.049 4.389 4.340 0.000 0.000 0.205 139 L C 2.053 178.948 176.870 0.041 0.000 1.086 139 L CA 0.840 55.714 54.840 0.056 0.000 0.778 139 L CB -0.218 41.889 42.059 0.079 0.000 0.928 139 L HN 0.276 nan 8.230 nan 0.000 0.446 140 L N 1.385 122.614 121.223 0.009 0.000 1.989 140 L HA -0.092 4.248 4.340 0.000 0.000 0.211 140 L C -0.371 176.489 176.870 -0.016 0.000 1.071 140 L CA 2.347 57.171 54.840 -0.027 0.000 0.749 140 L CB -2.129 39.914 42.059 -0.026 0.000 0.890 140 L HN 0.276 nan 8.230 nan 0.000 0.431 141 P HA -0.194 nan 4.420 nan 0.000 0.218 141 P C 1.448 178.776 177.300 0.046 0.000 1.149 141 P CA 1.415 64.526 63.100 0.019 0.000 0.817 141 P CB -0.063 31.648 31.700 0.017 0.000 0.785 142 Q N -0.211 119.626 119.800 0.062 0.000 2.083 142 Q HA -0.046 4.294 4.340 0.000 0.000 0.198 142 Q C 2.466 178.561 176.000 0.159 0.000 0.969 142 Q CA 1.503 57.371 55.803 0.109 0.000 0.838 142 Q CB -0.591 28.213 28.738 0.111 0.000 0.900 142 Q HN 0.203 nan 8.270 nan 0.000 0.436 143 A N 1.220 124.101 122.820 0.101 0.000 1.902 143 A HA -0.174 4.146 4.320 0.000 0.000 0.217 143 A C 2.055 179.697 177.584 0.096 0.000 1.181 143 A CA 1.133 53.202 52.037 0.054 0.000 0.623 143 A CB -0.653 18.098 19.000 -0.415 0.000 0.818 143 A HN 0.282 nan 8.150 nan 0.000 0.443 144 I N -0.874 119.718 120.570 0.036 0.000 2.226 144 I HA -0.265 3.905 4.170 0.000 0.000 0.245 144 I C 2.554 178.740 176.117 0.114 0.000 1.100 144 I CA 1.831 63.166 61.300 0.059 0.000 1.374 144 I CB -0.421 37.594 38.000 0.025 0.000 1.057 144 I HN 0.483 nan 8.210 nan 0.000 0.413 145 E N 0.864 121.139 120.200 0.124 0.000 2.058 145 E HA -0.293 4.057 4.350 0.000 0.000 0.194 145 E C 2.103 178.802 176.600 0.166 0.000 0.997 145 E CA 1.717 58.196 56.400 0.132 0.000 0.801 145 E CB -0.180 29.599 29.700 0.131 0.000 0.746 145 E HN 0.414 nan 8.360 nan 0.000 0.450 146 F N 0.370 120.392 119.950 0.120 0.000 2.102 146 F HA -0.186 4.341 4.527 0.000 0.000 0.298 146 F C 1.956 177.841 175.800 0.142 0.000 1.105 146 F CA 1.225 59.318 58.000 0.155 0.000 1.239 146 F CB -0.470 38.646 39.000 0.194 0.000 0.991 146 F HN -0.114 nan 8.300 nan 0.000 0.474 147 V N 1.265 121.157 119.914 -0.037 0.000 2.392 147 V HA -0.348 3.772 4.120 0.000 0.000 0.249 147 V C 2.154 178.228 176.094 -0.034 0.000 1.059 147 V CA 2.343 64.606 62.300 -0.061 0.000 1.051 147 V CB -0.958 30.968 31.823 0.171 0.000 0.658 147 V HN 0.457 nan 8.190 nan 0.000 0.455 148 N N -0.404 118.321 118.700 0.042 0.000 2.188 148 N HA -0.227 4.513 4.740 0.000 0.000 0.184 148 N C 1.975 177.435 175.510 -0.082 0.000 1.018 148 N CA 1.307 54.395 53.050 0.064 0.000 0.858 148 N CB -0.052 38.526 38.487 0.151 0.000 0.989 148 N HN 0.594 nan 8.380 nan 0.000 0.426 149 Q N 0.358 120.087 119.800 -0.119 0.000 2.046 149 Q HA -0.209 4.131 4.340 0.000 0.000 0.200 149 Q C 2.016 177.810 176.000 -0.343 0.000 0.975 149 Q CA 1.297 57.028 55.803 -0.121 0.000 0.836 149 Q CB -0.141 28.598 28.738 0.001 0.000 0.896 149 Q HN 0.414 nan 8.270 nan 0.000 0.428 150 Y N -0.180 119.599 120.300 -0.868 0.000 2.089 150 Y HA -0.294 4.256 4.550 0.000 0.000 0.282 150 Y C 1.705 177.070 175.900 -0.891 0.000 1.139 150 Y CA 1.997 59.236 58.100 -1.435 0.000 1.123 150 Y CB -0.646 36.918 38.460 -1.493 0.000 0.980 150 Y HN 0.172 nan 8.280 nan 0.000 0.493 151 Y N 0.259 120.386 120.300 -0.289 0.000 2.403 151 Y HA -0.058 4.492 4.550 0.000 0.000 0.291 151 Y C 2.500 178.308 175.900 -0.153 0.000 1.143 151 Y CA 1.402 59.398 58.100 -0.173 0.000 1.257 151 Y CB -0.746 37.367 38.460 -0.578 0.000 0.984 151 Y HN 0.292 nan 8.280 nan 0.000 0.550 152 G N -1.783 106.924 108.800 -0.155 0.000 3.088 152 G HA2 -0.057 3.903 3.960 0.000 0.000 0.212 152 G HA3 -0.057 3.903 3.960 0.000 0.000 0.212 152 G C 1.213 176.027 174.900 -0.144 0.000 1.173 152 G CA 0.619 45.673 45.100 -0.076 0.000 0.779 152 G HN 0.387 nan 8.290 nan 0.000 0.540 153 S N -0.406 115.065 115.700 -0.382 0.000 2.597 153 S HA 0.445 4.915 4.470 0.000 0.000 0.224 153 S C -0.006 174.253 174.600 -0.570 0.000 0.955 153 S CA -0.769 57.175 58.200 -0.427 0.000 0.933 153 S CB -0.307 62.655 63.200 -0.396 0.000 0.788 153 S HN 0.022 nan 8.310 nan 0.000 0.488 154 F N 2.471 122.323 119.950 -0.164 0.000 2.458 154 F HA 0.496 5.023 4.527 0.000 0.000 0.330 154 F C 1.544 177.310 175.800 -0.057 0.000 1.082 154 F CA -1.326 56.604 58.000 -0.117 0.000 0.995 154 F CB 1.317 40.239 39.000 -0.129 0.000 1.170 154 F HN -0.103 nan 8.300 nan 0.000 0.478 155 K N 0.858 121.349 120.400 0.152 0.000 2.155 155 K HA -0.008 4.312 4.320 0.000 0.000 0.203 155 K C 0.070 176.722 176.600 0.087 0.000 1.052 155 K CA 1.022 57.360 56.287 0.085 0.000 0.948 155 K CB -0.349 32.187 32.500 0.060 0.000 0.728 155 K HN 0.697 nan 8.250 nan 0.000 0.448 156 E N 0.801 121.067 120.200 0.110 0.000 2.855 156 E HA 0.378 4.728 4.350 0.000 0.000 0.259 156 E C -0.612 176.027 176.600 0.065 0.000 1.390 156 E CA -0.382 56.053 56.400 0.059 0.000 1.069 156 E CB 0.490 30.197 29.700 0.012 0.000 1.172 156 E HN 0.303 nan 8.360 nan 0.000 0.668 157 A N 0.703 123.541 122.820 0.029 0.000 2.311 157 A HA 0.279 4.599 4.320 0.000 0.000 0.306 157 A C -0.304 177.284 177.584 0.007 0.000 1.189 157 A CA -0.639 51.420 52.037 0.037 0.000 0.791 157 A CB 0.585 19.601 19.000 0.027 0.000 1.172 157 A HN 0.440 nan 8.150 nan 0.000 0.481 158 K N 3.575 123.987 120.400 0.020 0.000 2.576 158 K HA 0.155 4.475 4.320 0.000 0.000 0.209 158 K C 0.890 177.479 176.600 -0.019 0.000 1.049 158 K CA -0.415 55.863 56.287 -0.015 0.000 1.140 158 K CB 0.081 32.566 32.500 -0.026 0.000 0.871 158 K HN 0.734 nan 8.250 nan 0.000 0.479 159 I N 1.724 122.295 120.570 0.002 0.000 2.404 159 I HA -0.466 3.704 4.170 0.000 0.000 0.236 159 I C 2.041 178.110 176.117 -0.080 0.000 0.953 159 I CA 2.018 63.305 61.300 -0.022 0.000 1.253 159 I CB -1.071 36.913 38.000 -0.027 0.000 0.960 159 I HN 0.428 nan 8.210 nan 0.000 0.402 160 E N 0.362 120.517 120.200 -0.076 0.000 2.012 160 E HA -0.236 4.114 4.350 0.000 0.000 0.197 160 E C 2.094 178.616 176.600 -0.129 0.000 1.007 160 E CA 1.511 57.858 56.400 -0.088 0.000 0.816 160 E CB -0.257 29.408 29.700 -0.059 0.000 0.762 160 E HN 0.577 nan 8.360 nan 0.000 0.451 161 E N -0.167 119.953 120.200 -0.133 0.000 2.147 161 E HA -0.263 4.088 4.350 0.000 0.000 0.199 161 E C 2.082 178.373 176.600 -0.515 0.000 1.005 161 E CA 1.165 57.458 56.400 -0.179 0.000 0.810 161 E CB -0.305 29.387 29.700 -0.013 0.000 0.736 161 E HN 0.427 nan 8.360 nan 0.000 0.460 162 H N 0.231 118.770 119.070 -0.886 0.000 2.270 162 H HA -0.160 4.396 4.556 0.000 0.000 0.299 162 H C 2.426 177.460 175.328 -0.490 0.000 1.077 162 H CA 1.282 56.674 56.048 -1.094 0.000 1.294 162 H CB 0.036 29.431 29.762 -0.611 0.000 1.371 162 H HN 0.099 nan 8.280 nan 0.000 0.491 163 L N 1.101 122.158 121.223 -0.277 0.000 2.012 163 L HA -0.132 4.208 4.340 0.000 0.000 0.210 163 L C 2.657 179.442 176.870 -0.141 0.000 1.073 163 L CA 2.006 56.707 54.840 -0.233 0.000 0.748 163 L CB -1.085 40.860 42.059 -0.190 0.000 0.891 163 L HN 0.414 nan 8.230 nan 0.000 0.431 164 A N -0.387 122.358 122.820 -0.125 0.000 1.903 164 A HA -0.327 3.993 4.320 0.000 0.000 0.219 164 A C 2.463 180.022 177.584 -0.043 0.000 1.191 164 A CA 2.296 54.289 52.037 -0.072 0.000 0.638 164 A CB -0.697 18.268 19.000 -0.058 0.000 0.823 164 A HN 0.521 nan 8.150 nan 0.000 0.451 165 R N -0.599 119.873 120.500 -0.047 0.000 2.062 165 R HA -0.027 4.313 4.340 0.000 0.000 0.229 165 R C 2.026 178.347 176.300 0.035 0.000 1.128 165 R CA 1.790 57.911 56.100 0.036 0.000 0.960 165 R CB -1.230 29.156 30.300 0.143 0.000 0.855 165 R HN 0.281 nan 8.270 nan 0.000 0.432 166 V N 0.894 120.820 119.914 0.020 0.000 2.392 166 V HA -0.223 3.897 4.120 0.000 0.000 0.249 166 V C 2.041 178.117 176.094 -0.030 0.000 1.059 166 V CA 2.498 64.803 62.300 0.008 0.000 1.051 166 V CB -0.343 31.475 31.823 -0.008 0.000 0.658 166 V HN 0.578 nan 8.190 nan 0.000 0.455 167 E N -0.523 119.653 120.200 -0.041 0.000 2.072 167 E HA -0.152 4.199 4.350 0.000 0.000 0.191 167 E C 2.199 178.785 176.600 -0.024 0.000 0.985 167 E CA 1.238 57.614 56.400 -0.040 0.000 0.801 167 E CB -0.292 29.381 29.700 -0.046 0.000 0.750 167 E HN 0.703 nan 8.360 nan 0.000 0.452 168 A N 0.347 123.162 122.820 -0.009 0.000 1.873 168 A HA -0.121 4.199 4.320 0.000 0.000 0.215 168 A C 2.390 179.979 177.584 0.009 0.000 1.186 168 A CA 1.266 53.309 52.037 0.009 0.000 0.616 168 A CB -0.664 18.354 19.000 0.029 0.000 0.823 168 A HN 0.210 nan 8.150 nan 0.000 0.442 169 V N 0.063 119.972 119.914 -0.007 0.000 2.332 169 V HA -0.248 3.873 4.120 0.000 0.000 0.248 169 V C 2.768 178.802 176.094 -0.100 0.000 1.055 169 V CA 2.510 64.767 62.300 -0.071 0.000 1.038 169 V CB -1.265 30.448 31.823 -0.184 0.000 0.651 169 V HN 0.638 nan 8.190 nan 0.000 0.450 170 T N -0.085 114.422 114.554 -0.077 0.000 2.652 170 T HA -0.267 4.083 4.350 0.000 0.000 0.267 170 T C 1.970 176.651 174.700 -0.032 0.000 1.039 170 T CA 1.931 63.994 62.100 -0.062 0.000 1.153 170 T CB -0.287 68.553 68.868 -0.048 0.000 0.863 170 T HN 0.477 nan 8.240 nan 0.000 0.428 171 K N 1.302 121.692 120.400 -0.018 0.000 2.032 171 K HA -0.213 4.107 4.320 0.000 0.000 0.209 171 K C 2.300 178.907 176.600 0.011 0.000 1.048 171 K CA 1.973 58.258 56.287 -0.003 0.000 0.927 171 K CB -0.301 32.200 32.500 0.001 0.000 0.712 171 K HN 0.462 nan 8.250 nan 0.000 0.441 172 E N 0.431 120.645 120.200 0.024 0.000 2.118 172 E HA -0.179 4.171 4.350 0.000 0.000 0.195 172 E C 2.101 178.736 176.600 0.058 0.000 0.992 172 E CA 1.378 57.810 56.400 0.053 0.000 0.804 172 E CB -0.065 29.691 29.700 0.095 0.000 0.741 172 E HN 0.453 nan 8.360 nan 0.000 0.458 173 I N 0.671 121.263 120.570 0.037 0.000 2.286 173 I HA -0.189 3.982 4.170 0.000 0.000 0.245 173 I C 2.068 178.200 176.117 0.026 0.000 1.104 173 I CA 1.033 62.357 61.300 0.041 0.000 1.397 173 I CB -0.282 37.719 38.000 0.001 0.000 1.072 173 I HN 0.089 nan 8.210 nan 0.000 0.417 174 E N 0.273 120.479 120.200 0.010 0.000 2.338 174 E HA -0.171 4.179 4.350 0.000 0.000 0.197 174 E C 1.754 178.361 176.600 0.013 0.000 1.007 174 E CA 1.668 58.073 56.400 0.007 0.000 0.849 174 E CB -0.035 29.665 29.700 -0.001 0.000 0.774 174 E HN 0.597 nan 8.360 nan 0.000 0.506 175 T N -3.510 111.056 114.554 0.019 0.000 3.010 175 T HA 0.054 4.404 4.350 0.000 0.000 0.257 175 T C 1.589 176.304 174.700 0.025 0.000 1.020 175 T CA 0.615 62.726 62.100 0.019 0.000 0.938 175 T CB 0.530 69.409 68.868 0.018 0.000 1.049 175 T HN 0.127 nan 8.240 nan 0.000 0.522 176 T N -3.440 111.134 114.554 0.033 0.000 2.993 176 T HA 0.499 4.849 4.350 0.000 0.000 0.260 176 T C 1.798 176.520 174.700 0.038 0.000 0.939 176 T CA 0.741 62.862 62.100 0.036 0.000 0.886 176 T CB 0.048 68.942 68.868 0.044 0.000 1.209 176 T HN 1.054 nan 8.240 nan 0.000 0.518 177 G N 0.285 109.111 108.800 0.043 0.000 2.157 177 G HA2 -0.070 3.890 3.960 0.000 0.000 0.239 177 G HA3 -0.070 3.890 3.960 0.000 0.000 0.239 177 G C 0.160 175.098 174.900 0.064 0.000 0.982 177 G CA 0.565 45.691 45.100 0.043 0.000 0.650 177 G HN 1.136 nan 8.290 nan 0.000 0.527 178 T N -1.625 112.987 114.554 0.098 0.000 2.661 178 T HA 0.618 4.968 4.350 0.000 0.000 0.303 178 T C -1.904 172.953 174.700 0.262 0.000 1.658 178 T CA 0.548 62.744 62.100 0.159 0.000 0.974 178 T CB 0.891 69.792 68.868 0.055 0.000 1.857 178 T HN 1.760 nan 8.240 nan 0.000 0.475 179 Y N -0.240 120.060 120.300 -0.000 0.000 2.624 179 Y HA 0.801 5.351 4.550 0.000 0.000 0.334 179 Y C -1.392 174.517 175.900 0.016 0.000 1.155 179 Y CA -1.216 56.893 58.100 0.015 0.000 1.046 179 Y CB 0.749 39.228 38.460 0.032 0.000 1.316 179 Y HN 0.443 nan 8.280 nan 0.000 0.457 180 Q N 2.487 122.277 119.800 -0.017 0.000 2.235 180 Q HA 0.536 4.876 4.340 0.000 0.000 0.256 180 Q C -0.819 175.161 176.000 -0.034 0.000 0.951 180 Q CA -0.770 54.983 55.803 -0.085 0.000 0.890 180 Q CB 2.662 31.404 28.738 0.006 0.000 1.279 180 Q HN 0.849 nan 8.270 nan 0.000 0.444 181 L N 1.445 122.633 121.223 -0.058 0.000 2.357 181 L HA 0.350 4.691 4.340 0.000 0.000 0.273 181 L C 1.098 177.989 176.870 0.035 0.000 1.080 181 L CA -0.602 54.249 54.840 0.018 0.000 0.803 181 L CB 1.087 43.134 42.059 -0.020 0.000 1.174 181 L HN 0.714 nan 8.230 nan 0.000 0.443 182 T N -0.903 113.673 114.554 0.037 0.000 2.754 182 T HA 0.173 4.523 4.350 0.000 0.000 0.286 182 T C 1.336 176.045 174.700 0.014 0.000 0.997 182 T CA -0.106 62.006 62.100 0.020 0.000 0.982 182 T CB 1.188 70.056 68.868 0.000 0.000 1.027 182 T HN 0.689 nan 8.240 nan 0.000 0.529 183 G N 0.111 108.924 108.800 0.021 0.000 2.545 183 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 183 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 183 G C 1.174 176.103 174.900 0.048 0.000 1.218 183 G CA 1.142 46.256 45.100 0.024 0.000 0.787 183 G HN 0.880 nan 8.290 nan 0.000 0.571 184 D N -0.094 120.357 120.400 0.083 0.000 2.310 184 D HA -0.011 4.629 4.640 0.000 0.000 0.212 184 D C 2.372 178.834 176.300 0.269 0.000 0.965 184 D CA 0.808 54.914 54.000 0.177 0.000 0.879 184 D CB -0.024 40.923 40.800 0.245 0.000 0.921 184 D HN 0.522 nan 8.370 nan 0.000 0.510 185 E N -0.721 119.532 120.200 0.088 0.000 2.072 185 E HA -0.108 4.242 4.350 0.000 0.000 0.190 185 E C 1.872 178.639 176.600 0.278 0.000 0.982 185 E CA 0.280 56.740 56.400 0.100 0.000 0.803 185 E CB 0.011 29.685 29.700 -0.043 0.000 0.755 185 E HN 0.231 nan 8.360 nan 0.000 0.453 186 L N 1.224 122.507 121.223 0.100 0.000 2.046 186 L HA -0.166 4.174 4.340 0.000 0.000 0.208 186 L C 1.974 178.860 176.870 0.027 0.000 1.077 186 L CA 1.524 56.356 54.840 -0.013 0.000 0.747 186 L CB -0.267 41.738 42.059 -0.091 0.000 0.896 186 L HN 0.128 nan 8.230 nan 0.000 0.432 187 I N -1.285 119.331 120.570 0.077 0.000 2.099 187 I HA -0.349 3.821 4.170 0.000 0.000 0.239 187 I C 2.399 178.604 176.117 0.147 0.000 1.066 187 I CA 1.914 63.255 61.300 0.069 0.000 1.324 187 I CB -0.506 37.538 38.000 0.072 0.000 1.037 187 I HN 0.331 nan 8.210 nan 0.000 0.401 188 F N 1.777 121.805 119.950 0.130 0.000 2.120 188 F HA -0.309 4.218 4.527 0.000 0.000 0.300 188 F C 2.395 178.303 175.800 0.180 0.000 1.095 188 F CA 1.615 59.712 58.000 0.162 0.000 1.249 188 F CB -0.330 38.834 39.000 0.273 0.000 0.995 188 F HN 0.030 nan 8.300 nan 0.000 0.480 189 A N 0.135 123.161 122.820 0.343 0.000 1.855 189 A HA -0.191 4.129 4.320 0.000 0.000 0.215 189 A C 2.300 179.843 177.584 -0.068 0.000 1.191 189 A CA 2.632 54.768 52.037 0.164 0.000 0.613 189 A CB -1.666 17.389 19.000 0.091 0.000 0.829 189 A HN 0.545 nan 8.150 nan 0.000 0.442 190 T N -1.238 113.277 114.554 -0.066 0.000 2.720 190 T HA -0.198 4.152 4.350 0.000 0.000 0.268 190 T C 1.822 176.562 174.700 0.067 0.000 1.037 190 T CA 1.718 63.794 62.100 -0.040 0.000 1.144 190 T CB -0.391 68.453 68.868 -0.039 0.000 0.864 190 T HN 0.536 nan 8.240 nan 0.000 0.444 191 K N 0.649 121.092 120.400 0.072 0.000 2.025 191 K HA -0.096 4.224 4.320 0.000 0.000 0.207 191 K C 2.682 179.386 176.600 0.174 0.000 1.049 191 K CA 1.521 57.935 56.287 0.212 0.000 0.933 191 K CB -0.265 32.320 32.500 0.142 0.000 0.714 191 K HN 0.280 nan 8.250 nan 0.000 0.438 192 Q N 0.996 120.729 119.800 -0.112 0.000 2.124 192 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 192 Q C 1.845 177.727 176.000 -0.196 0.000 0.977 192 Q CA 1.832 57.460 55.803 -0.292 0.000 0.850 192 Q CB -0.274 28.131 28.738 -0.556 0.000 0.901 192 Q HN 0.327 nan 8.270 nan 0.000 0.429 193 A N -0.643 122.066 122.820 -0.185 0.000 1.933 193 A HA -0.176 4.144 4.320 0.000 0.000 0.218 193 A C 1.823 179.339 177.584 -0.114 0.000 1.175 193 A CA 1.451 53.282 52.037 -0.343 0.000 0.628 193 A CB -1.156 17.306 19.000 -0.897 0.000 0.814 193 A HN 0.720 nan 8.150 nan 0.000 0.444 194 W N 0.897 122.148 121.300 -0.080 0.000 2.407 194 W HA -0.081 4.579 4.660 0.000 0.000 0.305 194 W C 2.276 178.690 176.519 -0.176 0.000 1.196 194 W CA 1.381 58.677 57.345 -0.082 0.000 1.311 194 W CB -0.678 28.729 29.460 -0.088 0.000 1.135 194 W HN 0.355 nan 8.180 nan 0.000 0.514 195 R N 0.475 120.900 120.500 -0.125 0.000 2.159 195 R HA -0.160 4.180 4.340 0.000 0.000 0.237 195 R C 1.185 177.326 176.300 -0.265 0.000 1.131 195 R CA 1.676 57.507 56.100 -0.448 0.000 0.982 195 R CB -0.496 29.256 30.300 -0.913 0.000 0.868 195 R HN 0.091 nan 8.270 nan 0.000 0.453 196 N N 0.141 118.731 118.700 -0.184 0.000 2.336 196 N HA 0.048 4.788 4.740 0.000 0.000 0.189 196 N C -0.636 174.794 175.510 -0.134 0.000 1.113 196 N CA 0.420 53.396 53.050 -0.123 0.000 0.858 196 N CB 1.025 39.479 38.487 -0.054 0.000 0.970 196 N HN 0.134 nan 8.380 nan 0.000 0.471 197 A N 2.615 125.344 122.820 -0.151 0.000 2.437 197 A HA 0.234 4.554 4.320 0.000 0.000 0.303 197 A C -0.997 176.521 177.584 -0.110 0.000 1.324 197 A CA -1.092 50.812 52.037 -0.223 0.000 0.983 197 A CB 0.457 19.387 19.000 -0.116 0.000 1.142 197 A HN -0.002 nan 8.150 nan 0.000 0.541 198 P HA -0.149 nan 4.420 nan 0.000 0.222 198 P C 0.774 178.049 177.300 -0.043 0.000 1.147 198 P CA 1.055 64.123 63.100 -0.053 0.000 0.790 198 P CB 0.218 31.884 31.700 -0.057 0.000 0.780 199 R N -1.474 118.961 120.500 -0.108 0.000 2.359 199 R HA 0.177 4.518 4.340 0.000 0.000 0.231 199 R C 0.403 176.730 176.300 0.044 0.000 0.913 199 R CA -0.208 55.866 56.100 -0.044 0.000 1.075 199 R CB -0.232 29.875 30.300 -0.322 0.000 1.087 199 R HN 0.136 nan 8.270 nan 0.000 0.515 200 C N 0.865 120.166 119.300 0.001 0.000 2.255 200 C HA 0.334 4.794 4.460 0.000 0.000 0.326 200 C C 1.729 176.720 174.990 0.002 0.000 1.258 200 C CA -0.807 58.233 59.018 0.037 0.000 1.676 200 C CB -0.565 27.239 27.740 0.107 0.000 2.314 200 C HN 0.571 nan 8.230 nan 0.000 0.509 201 I N 4.134 124.667 120.570 -0.062 0.000 3.059 201 I HA 0.139 4.309 4.170 0.000 0.000 0.270 201 I C 1.919 178.088 176.117 0.086 0.000 1.238 201 I CA 1.173 62.389 61.300 -0.141 0.000 1.478 201 I CB 0.149 38.038 38.000 -0.185 0.000 1.097 201 I HN 0.912 nan 8.210 nan 0.000 0.455 202 G N -0.025 108.813 108.800 0.063 0.000 3.314 202 G HA2 0.014 3.974 3.960 0.000 0.000 0.238 202 G HA3 0.014 3.974 3.960 0.000 0.000 0.238 202 G C 1.280 176.138 174.900 -0.070 0.000 1.184 202 G CA -0.360 44.763 45.100 0.038 0.000 0.806 202 G HN 0.256 nan 8.290 nan 0.000 0.536 203 R N -0.348 119.997 120.500 -0.259 0.000 2.303 203 R HA -0.055 4.285 4.340 0.000 0.000 0.225 203 R C 2.072 177.784 176.300 -0.979 0.000 1.114 203 R CA 0.357 55.924 56.100 -0.890 0.000 1.007 203 R CB -0.191 29.404 30.300 -1.175 0.000 0.861 203 R HN 0.434 nan 8.270 nan 0.000 0.471 204 I N 1.069 121.314 120.570 -0.543 0.000 2.530 204 I HA -0.246 3.924 4.170 0.000 0.000 0.257 204 I C 1.421 177.405 176.117 -0.221 0.000 1.179 204 I CA 1.627 62.807 61.300 -0.201 0.000 1.440 204 I CB 0.054 38.052 38.000 -0.004 0.000 1.087 204 I HN 0.089 nan 8.210 nan 0.000 0.440 205 Q N 0.049 119.621 119.800 -0.381 0.000 2.320 205 Q HA -0.052 4.288 4.340 0.000 0.000 0.201 205 Q C 1.637 177.123 176.000 -0.857 0.000 0.910 205 Q CA 0.290 55.854 55.803 -0.399 0.000 0.946 205 Q CB -0.351 28.311 28.738 -0.126 0.000 1.062 205 Q HN 0.809 nan 8.270 nan 0.000 0.503 206 W N 1.327 121.824 121.300 -1.339 0.000 2.290 206 W HA -0.259 4.401 4.660 0.000 0.000 0.318 206 W C 1.272 177.469 176.519 -0.537 0.000 1.248 206 W CA 1.708 58.186 57.345 -1.446 0.000 1.263 206 W CB -1.420 27.393 29.460 -1.078 0.000 1.147 206 W HN 0.166 nan 8.180 nan 0.000 0.494 207 S N 0.296 115.096 115.700 -1.499 0.000 2.603 207 S HA -0.048 4.422 4.470 0.000 0.000 0.229 207 S C 0.656 174.951 174.600 -0.508 0.000 0.972 207 S CA 0.375 57.858 58.200 -1.194 0.000 0.935 207 S CB -0.677 61.664 63.200 -1.433 0.000 0.769 207 S HN 0.266 nan 8.310 nan 0.000 0.536 208 N N 1.141 119.649 118.700 -0.320 0.000 2.816 208 N HA 0.493 5.233 4.740 0.000 0.000 0.236 208 N C -1.573 174.002 175.510 0.108 0.000 1.076 208 N CA -0.312 52.685 53.050 -0.087 0.000 0.902 208 N CB 1.008 39.466 38.487 -0.049 0.000 1.149 208 N HN 0.387 nan 8.380 nan 0.000 0.506 209 L N 2.011 123.270 121.223 0.060 0.000 2.482 209 L HA 0.416 4.756 4.340 0.000 0.000 0.263 209 L C -0.979 175.843 176.870 -0.081 0.000 0.957 209 L CA -0.618 54.258 54.840 0.060 0.000 0.836 209 L CB 2.127 44.263 42.059 0.127 0.000 1.324 209 L HN 0.219 nan 8.230 nan 0.000 0.406 210 Q N 2.922 122.622 119.800 -0.166 0.000 2.296 210 Q HA 0.589 4.929 4.340 0.000 0.000 0.257 210 Q C -1.701 173.940 176.000 -0.598 0.000 0.942 210 Q CA -0.283 55.262 55.803 -0.431 0.000 0.939 210 Q CB 1.422 29.763 28.738 -0.661 0.000 1.198 210 Q HN 0.510 nan 8.270 nan 0.000 0.429 211 V N 5.672 125.262 119.914 -0.541 0.000 2.370 211 V HA 0.423 4.543 4.120 0.000 0.000 0.279 211 V C -0.689 175.081 176.094 -0.540 0.000 1.029 211 V CA -0.562 61.468 62.300 -0.450 0.000 0.870 211 V CB 0.495 32.175 31.823 -0.239 0.000 0.984 211 V HN 0.651 nan 8.190 nan 0.000 0.451 212 F N 2.697 122.465 119.950 -0.304 0.000 2.332 212 F HA 0.356 4.883 4.527 0.000 0.000 0.368 212 F C 0.495 176.115 175.800 -0.300 0.000 1.110 212 F CA -1.230 56.589 58.000 -0.302 0.000 1.087 212 F CB 1.016 39.802 39.000 -0.358 0.000 1.235 212 F HN 0.460 nan 8.300 nan 0.000 0.470 213 D N 3.404 123.780 120.400 -0.039 0.000 2.383 213 D HA 0.321 4.961 4.640 0.000 0.000 0.245 213 D C 0.297 176.504 176.300 -0.156 0.000 1.263 213 D CA 0.219 54.160 54.000 -0.099 0.000 0.936 213 D CB 0.898 41.668 40.800 -0.051 0.000 1.053 213 D HN 0.584 nan 8.370 nan 0.000 0.507 214 A N 4.501 127.142 122.820 -0.298 0.000 2.630 214 A HA 0.158 4.479 4.320 0.000 0.000 0.290 214 A C 1.657 179.159 177.584 -0.137 0.000 1.267 214 A CA -0.401 51.368 52.037 -0.446 0.000 0.950 214 A CB 0.061 18.491 19.000 -0.949 0.000 1.144 214 A HN 0.516 nan 8.150 nan 0.000 0.527 215 R N 0.364 120.817 120.500 -0.078 0.000 2.285 215 R HA -0.087 4.253 4.340 0.000 0.000 0.213 215 R C 1.951 178.211 176.300 -0.066 0.000 1.068 215 R CA 1.351 57.431 56.100 -0.033 0.000 1.004 215 R CB -0.081 30.233 30.300 0.023 0.000 0.873 215 R HN 0.632 nan 8.270 nan 0.000 0.467 216 S N -0.490 115.193 115.700 -0.028 0.000 2.527 216 S HA -0.039 4.431 4.470 0.000 0.000 0.222 216 S C 1.124 175.721 174.600 -0.004 0.000 0.985 216 S CA -0.373 57.827 58.200 -0.002 0.000 0.921 216 S CB -0.298 62.930 63.200 0.046 0.000 0.772 216 S HN 0.309 nan 8.310 nan 0.000 0.529 217 C N 3.161 122.450 119.300 -0.017 0.000 2.641 217 C HA 0.404 4.864 4.460 0.000 0.000 0.412 217 C C 1.829 176.746 174.990 -0.122 0.000 1.312 217 C CA 0.646 59.661 59.018 -0.005 0.000 1.838 217 C CB 0.176 27.936 27.740 0.033 0.000 2.682 217 C HN 0.750 nan 8.230 nan 0.000 0.627 218 S N 0.968 116.734 115.700 0.109 0.000 2.661 218 S HA 0.216 4.686 4.470 0.000 0.000 0.275 218 S C 0.034 174.839 174.600 0.342 0.000 1.075 218 S CA 0.340 58.711 58.200 0.285 0.000 1.251 218 S CB 0.037 63.335 63.200 0.164 0.000 1.167 218 S HN 1.039 nan 8.310 nan 0.000 0.648 219 T N -1.374 113.331 114.554 0.251 0.000 2.903 219 T HA 0.827 5.178 4.350 0.000 0.000 0.299 219 T C 1.108 175.885 174.700 0.128 0.000 1.093 219 T CA -0.202 61.999 62.100 0.168 0.000 1.002 219 T CB 1.484 70.423 68.868 0.119 0.000 1.127 219 T HN 0.244 nan 8.240 nan 0.000 0.488 220 A N 1.512 124.392 122.820 0.100 0.000 1.948 220 A HA -0.113 4.207 4.320 0.000 0.000 0.220 220 A C 2.338 179.895 177.584 -0.045 0.000 1.177 220 A CA 2.134 54.212 52.037 0.068 0.000 0.636 220 A CB -0.878 18.251 19.000 0.214 0.000 0.815 220 A HN 0.879 nan 8.150 nan 0.000 0.449 221 R N 0.370 120.944 120.500 0.123 0.000 2.083 221 R HA -0.157 4.184 4.340 0.000 0.000 0.237 221 R C 1.903 178.198 176.300 -0.008 0.000 1.137 221 R CA 2.297 58.453 56.100 0.094 0.000 0.951 221 R CB -0.625 29.789 30.300 0.189 0.000 0.851 221 R HN 0.694 nan 8.270 nan 0.000 0.434 222 E N -0.474 119.744 120.200 0.031 0.000 2.153 222 E HA -0.181 4.169 4.350 0.000 0.000 0.194 222 E C 2.069 178.710 176.600 0.069 0.000 0.988 222 E CA 1.469 57.886 56.400 0.029 0.000 0.811 222 E CB -0.143 29.605 29.700 0.080 0.000 0.746 222 E HN 0.388 nan 8.360 nan 0.000 0.466 223 M N -0.040 119.564 119.600 0.006 0.000 2.086 223 M HA -0.157 4.323 4.480 0.000 0.000 0.261 223 M C 2.173 178.499 176.300 0.043 0.000 1.067 223 M CA 1.313 56.586 55.300 -0.046 0.000 1.116 223 M CB -0.276 32.127 32.600 -0.328 0.000 1.348 223 M HN 0.129 nan 8.290 nan 0.000 0.407 224 F N 1.602 121.330 119.950 -0.371 0.000 2.069 224 F HA -0.225 4.302 4.527 0.000 0.000 0.298 224 F C 2.113 177.806 175.800 -0.178 0.000 1.113 224 F CA 1.922 59.667 58.000 -0.424 0.000 1.214 224 F CB -0.440 37.991 39.000 -0.948 0.000 0.978 224 F HN 0.154 nan 8.300 nan 0.000 0.474 225 E N -1.089 118.982 120.200 -0.216 0.000 2.085 225 E HA -0.269 4.081 4.350 0.000 0.000 0.194 225 E C 2.180 178.618 176.600 -0.271 0.000 0.994 225 E CA 1.429 57.650 56.400 -0.297 0.000 0.801 225 E CB -0.466 29.115 29.700 -0.199 0.000 0.743 225 E HN 0.521 nan 8.360 nan 0.000 0.453 226 H N 0.282 119.282 119.070 -0.118 0.000 2.389 226 H HA -0.038 4.518 4.556 0.000 0.000 0.299 226 H C 2.215 177.451 175.328 -0.154 0.000 1.081 226 H CA 1.001 56.982 56.048 -0.112 0.000 1.345 226 H CB -0.055 29.760 29.762 0.088 0.000 1.393 226 H HN 0.179 nan 8.280 nan 0.000 0.520 227 I N -0.370 120.228 120.570 0.047 0.000 2.315 227 I HA -0.262 3.908 4.170 0.000 0.000 0.248 227 I C 2.485 178.507 176.117 -0.159 0.000 1.117 227 I CA 0.591 61.878 61.300 -0.022 0.000 1.404 227 I CB -0.062 37.945 38.000 0.013 0.000 1.071 227 I HN 0.216 nan 8.210 nan 0.000 0.419 228 C N 0.147 119.256 119.300 -0.319 0.000 2.457 228 C HA -0.113 4.347 4.460 0.000 0.000 0.278 228 C C 2.916 177.800 174.990 -0.177 0.000 1.309 228 C CA 0.638 59.467 59.018 -0.316 0.000 1.735 228 C CB -1.104 26.337 27.740 -0.500 0.000 1.992 228 C HN 0.476 nan 8.230 nan 0.000 0.493 229 R N 0.141 120.522 120.500 -0.198 0.000 2.120 229 R HA -0.168 4.172 4.340 0.000 0.000 0.234 229 R C 2.116 178.321 176.300 -0.158 0.000 1.123 229 R CA 1.765 57.746 56.100 -0.198 0.000 0.975 229 R CB -0.594 29.520 30.300 -0.311 0.000 0.866 229 R HN 0.787 nan 8.270 nan 0.000 0.446 230 H N -0.494 118.402 119.070 -0.291 0.000 2.307 230 H HA -0.043 4.513 4.556 0.000 0.000 0.303 230 H C 1.973 177.363 175.328 0.104 0.000 1.073 230 H CA 1.426 57.419 56.048 -0.091 0.000 1.338 230 H CB 0.202 29.907 29.762 -0.096 0.000 1.389 230 H HN 0.042 nan 8.280 nan 0.000 0.503 231 V N 1.268 121.248 119.914 0.110 0.000 2.252 231 V HA -0.310 3.810 4.120 0.000 0.000 0.249 231 V C 2.632 178.786 176.094 0.100 0.000 1.056 231 V CA 2.320 64.640 62.300 0.033 0.000 1.022 231 V CB -0.685 31.099 31.823 -0.065 0.000 0.641 231 V HN 0.424 nan 8.190 nan 0.000 0.445 232 R N -1.239 119.307 120.500 0.076 0.000 2.091 232 R HA -0.246 4.094 4.340 0.000 0.000 0.238 232 R C 2.378 178.757 176.300 0.130 0.000 1.136 232 R CA 2.322 58.467 56.100 0.075 0.000 0.959 232 R CB -0.476 29.850 30.300 0.043 0.000 0.856 232 R HN 0.665 nan 8.270 nan 0.000 0.437 233 Y N 0.502 120.871 120.300 0.116 0.000 2.114 233 Y HA -0.166 4.384 4.550 0.000 0.000 0.284 233 Y C 2.289 178.289 175.900 0.167 0.000 1.143 233 Y CA 2.155 60.357 58.100 0.169 0.000 1.135 233 Y CB -0.325 38.319 38.460 0.307 0.000 0.980 233 Y HN 0.010 nan 8.280 nan 0.000 0.499 234 S N -0.524 115.274 115.700 0.164 0.000 2.387 234 S HA -0.152 4.319 4.470 0.000 0.000 0.226 234 S C 1.861 176.476 174.600 0.024 0.000 1.026 234 S CA 1.504 59.747 58.200 0.072 0.000 0.972 234 S CB -0.586 62.816 63.200 0.337 0.000 0.814 234 S HN 0.589 nan 8.310 nan 0.000 0.477 235 T N 1.934 116.521 114.554 0.055 0.000 2.720 235 T HA -0.126 4.224 4.350 0.000 0.000 0.268 235 T C 1.009 175.711 174.700 0.004 0.000 1.037 235 T CA 1.212 63.342 62.100 0.049 0.000 1.144 235 T CB -0.680 68.216 68.868 0.047 0.000 0.864 235 T HN 0.463 nan 8.240 nan 0.000 0.444 236 N N 1.978 120.651 118.700 -0.045 0.000 2.702 236 N HA -0.280 4.460 4.740 0.000 0.000 0.255 236 N C 0.067 175.554 175.510 -0.039 0.000 0.983 236 N CA 0.907 53.912 53.050 -0.076 0.000 0.768 236 N CB -2.127 36.271 38.487 -0.148 0.000 0.918 236 N HN 0.656 nan 8.380 nan 0.000 0.540 237 N N -1.433 117.257 118.700 -0.018 0.000 2.727 237 N HA -0.254 4.486 4.740 0.000 0.000 0.249 237 N C 0.982 176.482 175.510 -0.016 0.000 1.048 237 N CA 1.367 54.408 53.050 -0.015 0.000 0.714 237 N CB -1.253 37.223 38.487 -0.019 0.000 0.959 237 N HN 1.102 nan 8.380 nan 0.000 0.544 238 G N -0.192 108.606 108.800 -0.002 0.000 2.336 238 G HA2 -0.317 3.643 3.960 0.000 0.000 0.233 238 G HA3 -0.317 3.643 3.960 0.000 0.000 0.233 238 G C 0.085 174.990 174.900 0.009 0.000 1.053 238 G CA 0.319 45.422 45.100 0.006 0.000 0.625 238 G HN 0.519 nan 8.290 nan 0.000 0.511 239 N N 2.586 121.274 118.700 -0.021 0.000 3.050 239 N HA 0.358 5.098 4.740 0.000 0.000 0.289 239 N C 0.774 176.271 175.510 -0.021 0.000 1.209 239 N CA -0.143 52.879 53.050 -0.046 0.000 1.154 239 N CB -0.073 38.376 38.487 -0.063 0.000 1.444 239 N HN 0.426 nan 8.380 nan 0.000 0.529 240 I N 1.285 121.880 120.570 0.042 0.000 2.919 240 I HA -0.156 4.014 4.170 0.000 0.000 0.303 240 I C 1.067 177.311 176.117 0.211 0.000 1.221 240 I CA 0.681 62.067 61.300 0.143 0.000 1.444 240 I CB -0.409 37.757 38.000 0.276 0.000 1.331 240 I HN 0.399 nan 8.210 nan 0.000 0.572 241 R N 2.973 123.582 120.500 0.182 0.000 2.771 241 R HA 0.631 4.971 4.340 0.000 0.000 0.274 241 R C -0.839 175.600 176.300 0.232 0.000 0.987 241 R CA -0.867 55.367 56.100 0.223 0.000 0.908 241 R CB 1.159 31.473 30.300 0.024 0.000 1.213 241 R HN 0.431 nan 8.270 nan 0.000 0.468 242 S N 0.431 116.260 115.700 0.215 0.000 2.548 242 S HA 0.636 5.106 4.470 0.000 0.000 0.277 242 S C -0.448 174.220 174.600 0.113 0.000 1.315 242 S CA -0.183 58.064 58.200 0.080 0.000 1.050 242 S CB 1.307 64.482 63.200 -0.041 0.000 0.918 242 S HN 0.729 nan 8.310 nan 0.000 0.497 243 A N 2.573 125.422 122.820 0.048 0.000 2.610 243 A HA 0.815 5.135 4.320 0.000 0.000 0.291 243 A C -1.447 176.051 177.584 -0.142 0.000 1.086 243 A CA -0.650 51.322 52.037 -0.109 0.000 0.677 243 A CB 1.143 20.079 19.000 -0.107 0.000 1.278 243 A HN 0.804 nan 8.150 nan 0.000 0.414 244 I N 0.559 120.965 120.570 -0.272 0.000 2.607 244 I HA 0.572 4.743 4.170 0.000 0.000 0.290 244 I C -1.134 174.886 176.117 -0.162 0.000 1.129 244 I CA -0.097 61.138 61.300 -0.109 0.000 1.042 244 I CB 2.320 40.272 38.000 -0.079 0.000 1.242 244 I HN 0.598 nan 8.210 nan 0.000 0.421 245 T N 6.564 121.070 114.554 -0.079 0.000 2.756 245 T HA 0.419 4.769 4.350 0.000 0.000 0.290 245 T C -0.570 173.886 174.700 -0.406 0.000 0.985 245 T CA -0.317 61.649 62.100 -0.223 0.000 0.955 245 T CB 1.313 70.024 68.868 -0.261 0.000 0.930 245 T HN 0.263 nan 8.240 nan 0.000 0.451 246 V N 5.426 125.105 119.914 -0.392 0.000 2.350 246 V HA 0.446 4.566 4.120 0.000 0.000 0.276 246 V C -0.404 175.500 176.094 -0.318 0.000 1.028 246 V CA -0.789 61.324 62.300 -0.312 0.000 0.860 246 V CB 0.057 31.709 31.823 -0.285 0.000 0.990 246 V HN 0.688 nan 8.190 nan 0.000 0.453 247 F N 6.267 126.239 119.950 0.037 0.000 2.378 247 F HA 0.494 5.021 4.527 0.000 0.000 0.325 247 F C -1.642 174.184 175.800 0.044 0.000 1.097 247 F CA -2.768 55.218 58.000 -0.022 0.000 1.079 247 F CB 0.464 39.482 39.000 0.031 0.000 1.240 247 F HN 0.313 nan 8.300 nan 0.000 0.519 248 P HA -0.112 nan 4.420 nan 0.000 0.261 248 P C -0.755 176.569 177.300 0.041 0.000 1.158 248 P CA 0.089 63.165 63.100 -0.040 0.000 0.758 248 P CB 0.236 31.710 31.700 -0.377 0.000 0.763 249 Q N 3.089 122.798 119.800 -0.152 0.000 2.524 249 Q HA 0.048 4.388 4.340 0.000 0.000 0.246 249 Q C 0.242 176.116 176.000 -0.211 0.000 1.063 249 Q CA -0.363 55.107 55.803 -0.554 0.000 0.945 249 Q CB 0.579 28.705 28.738 -1.021 0.000 1.292 249 Q HN 0.397 nan 8.270 nan 0.000 0.518 250 R N 0.890 121.258 120.500 -0.219 0.000 2.442 250 R HA 0.038 4.378 4.340 0.000 0.000 0.291 250 R C 0.145 176.406 176.300 -0.064 0.000 1.069 250 R CA 0.683 56.746 56.100 -0.061 0.000 1.022 250 R CB 0.570 30.834 30.300 -0.060 0.000 0.976 250 R HN 0.939 nan 8.270 nan 0.000 0.443 251 S N 2.530 118.244 115.700 0.023 0.000 2.860 251 S HA 0.012 4.482 4.470 0.000 0.000 0.181 251 S C 0.985 175.616 174.600 0.052 0.000 0.763 251 S CA 0.288 58.507 58.200 0.032 0.000 0.829 251 S CB -0.222 63.019 63.200 0.069 0.000 0.793 251 S HN 0.714 nan 8.310 nan 0.000 0.614 252 D N 1.281 121.753 120.400 0.119 0.000 2.149 252 D HA 0.304 4.944 4.640 0.000 0.000 0.201 252 D C 1.431 177.737 176.300 0.011 0.000 0.972 252 D CA 1.587 55.639 54.000 0.086 0.000 0.835 252 D CB -0.209 40.684 40.800 0.155 0.000 0.966 252 D HN 0.734 nan 8.370 nan 0.000 0.476 253 G N -0.123 108.680 108.800 0.005 0.000 2.176 253 G HA2 -0.311 3.649 3.960 0.000 0.000 0.232 253 G HA3 -0.311 3.649 3.960 0.000 0.000 0.232 253 G C 1.073 175.929 174.900 -0.074 0.000 0.986 253 G CA 0.415 45.498 45.100 -0.027 0.000 0.643 253 G HN 0.313 nan 8.290 nan 0.000 0.522 254 K N -0.642 119.669 120.400 -0.148 0.000 2.367 254 K HA 0.229 4.549 4.320 0.000 0.000 0.195 254 K C 0.354 176.684 176.600 -0.450 0.000 1.060 254 K CA 0.279 56.376 56.287 -0.315 0.000 1.022 254 K CB 0.416 32.649 32.500 -0.445 0.000 0.894 254 K HN 0.539 nan 8.250 nan 0.000 0.540 255 H N 0.976 120.036 119.070 -0.017 0.000 2.351 255 H HA 0.214 4.770 4.556 0.000 0.000 0.232 255 H C -1.243 174.065 175.328 -0.034 0.000 1.452 255 H CA -0.714 55.307 56.048 -0.046 0.000 1.236 255 H CB 0.293 30.050 29.762 -0.009 0.000 1.579 255 H HN -0.064 nan 8.280 nan 0.000 0.535 256 D N 0.837 121.250 120.400 0.021 0.000 2.256 256 D HA 0.122 4.762 4.640 0.000 0.000 0.250 256 D C -0.323 175.981 176.300 0.007 0.000 1.093 256 D CA -0.153 53.892 54.000 0.075 0.000 0.882 256 D CB 0.877 41.721 40.800 0.073 0.000 1.185 256 D HN 0.251 nan 8.370 nan 0.000 0.437 257 F N 2.935 122.937 119.950 0.087 0.000 2.361 257 F HA 0.371 4.899 4.527 0.000 0.000 0.364 257 F C 0.845 176.699 175.800 0.091 0.000 1.117 257 F CA -0.623 57.401 58.000 0.039 0.000 1.071 257 F CB 0.736 39.744 39.000 0.014 0.000 1.188 257 F HN 0.152 nan 8.300 nan 0.000 0.464 258 R N 1.262 121.905 120.500 0.238 0.000 2.663 258 R HA 0.720 5.060 4.340 0.000 0.000 0.267 258 R C -2.287 174.215 176.300 0.336 0.000 1.038 258 R CA -1.096 55.178 56.100 0.291 0.000 0.886 258 R CB 1.307 31.767 30.300 0.266 0.000 1.249 258 R HN 0.183 nan 8.270 nan 0.000 0.463 259 V N 2.342 122.455 119.914 0.332 0.000 2.385 259 V HA 0.117 4.237 4.120 0.000 0.000 0.269 259 V C 0.081 176.447 176.094 0.455 0.000 1.043 259 V CA -0.434 62.065 62.300 0.332 0.000 0.906 259 V CB 0.686 32.647 31.823 0.231 0.000 0.995 259 V HN 0.742 nan 8.190 nan 0.000 0.467 260 W N 2.286 123.704 121.300 0.196 0.000 2.519 260 W HA 0.030 4.690 4.660 0.000 0.000 0.266 260 W C 0.996 177.710 176.519 0.325 0.000 1.253 260 W CA -0.531 57.025 57.345 0.352 0.000 1.274 260 W CB -0.889 28.875 29.460 0.506 0.000 1.114 260 W HN 0.516 nan 8.180 nan 0.000 0.596 261 N N 0.086 118.939 118.700 0.255 0.000 2.479 261 N HA 0.226 4.966 4.740 0.000 0.000 0.257 261 N C 1.214 176.597 175.510 -0.211 0.000 1.232 261 N CA 0.729 53.562 53.050 -0.362 0.000 0.920 261 N CB 0.687 38.998 38.487 -0.293 0.000 1.105 261 N HN -0.064 nan 8.380 nan 0.000 0.444 262 A N 1.729 124.357 122.820 -0.320 0.000 1.898 262 A HA -0.098 4.222 4.320 0.000 0.000 0.216 262 A C 0.425 177.912 177.584 -0.161 0.000 1.181 262 A CA 1.411 53.363 52.037 -0.142 0.000 0.620 262 A CB -0.061 18.880 19.000 -0.097 0.000 0.819 262 A HN 0.730 nan 8.150 nan 0.000 0.442 263 Q N -1.747 117.920 119.800 -0.222 0.000 2.421 263 Q HA 0.515 4.856 4.340 0.000 0.000 0.280 263 Q C 0.277 176.120 176.000 -0.262 0.000 1.085 263 Q CA -0.615 55.050 55.803 -0.230 0.000 0.807 263 Q CB 1.886 30.509 28.738 -0.192 0.000 1.405 263 Q HN 0.265 nan 8.270 nan 0.000 0.419 264 L N 0.670 121.742 121.223 -0.253 0.000 2.013 264 L HA -0.089 4.252 4.340 0.000 0.000 0.212 264 L C 0.592 177.291 176.870 -0.285 0.000 1.073 264 L CA 1.523 56.228 54.840 -0.225 0.000 0.753 264 L CB -0.132 41.782 42.059 -0.241 0.000 0.890 264 L HN 0.513 nan 8.230 nan 0.000 0.432 265 I N -0.751 119.559 120.570 -0.434 0.000 2.406 265 I HA 0.398 4.568 4.170 0.000 0.000 0.290 265 I C -0.148 175.358 176.117 -1.018 0.000 0.999 265 I CA -0.376 60.517 61.300 -0.678 0.000 1.124 265 I CB 1.877 39.407 38.000 -0.783 0.000 1.289 265 I HN 0.058 nan 8.210 nan 0.000 0.441 266 R N 3.939 123.942 120.500 -0.828 0.000 2.664 266 R HA 0.418 4.758 4.340 0.000 0.000 0.260 266 R C -1.812 174.219 176.300 -0.448 0.000 1.062 266 R CA -0.805 54.883 56.100 -0.685 0.000 0.902 266 R CB 1.869 31.969 30.300 -0.334 0.000 1.258 266 R HN 0.325 nan 8.270 nan 0.000 0.465 267 Y N 0.712 120.988 120.300 -0.039 0.000 2.307 267 Y HA 0.518 5.068 4.550 0.000 0.000 0.324 267 Y C 0.903 176.808 175.900 0.009 0.000 1.238 267 Y CA -0.365 57.765 58.100 0.050 0.000 1.280 267 Y CB 1.078 39.671 38.460 0.220 0.000 1.248 267 Y HN 0.671 nan 8.280 nan 0.000 0.508 268 A N 0.993 123.898 122.820 0.141 0.000 2.296 268 A HA 0.714 5.034 4.320 0.000 0.000 0.264 268 A C 0.361 177.809 177.584 -0.228 0.000 1.097 268 A CA 0.186 52.142 52.037 -0.135 0.000 0.811 268 A CB -0.108 18.736 19.000 -0.260 0.000 1.072 268 A HN 0.935 nan 8.150 nan 0.000 0.495 269 G N -0.545 108.002 108.800 -0.421 0.000 2.739 269 G HA2 0.571 4.531 3.960 0.000 0.000 0.291 269 G HA3 0.571 4.531 3.960 0.000 0.000 0.291 269 G C -1.401 173.296 174.900 -0.338 0.000 1.478 269 G CA -0.290 44.633 45.100 -0.294 0.000 1.062 269 G HN 0.517 nan 8.290 nan 0.000 0.532 270 Y N 0.218 120.583 120.300 0.109 0.000 2.429 270 Y HA 0.552 5.102 4.550 0.000 0.000 0.342 270 Y C 0.470 176.438 175.900 0.113 0.000 1.004 270 Y CA -0.990 57.200 58.100 0.151 0.000 1.075 270 Y CB 2.476 41.103 38.460 0.279 0.000 1.214 270 Y HN 0.470 nan 8.280 nan 0.000 0.455 271 Q N 3.433 123.389 119.800 0.259 0.000 2.406 271 Q HA 0.312 4.652 4.340 0.000 0.000 0.242 271 Q C -0.763 175.318 176.000 0.135 0.000 1.036 271 Q CA -0.636 55.259 55.803 0.152 0.000 0.904 271 Q CB 0.436 29.242 28.738 0.113 0.000 1.244 271 Q HN 0.551 nan 8.270 nan 0.000 0.478 272 M N 4.048 123.707 119.600 0.098 0.000 2.232 272 M HA 0.113 4.593 4.480 0.000 0.000 0.321 272 M C -1.575 174.728 176.300 0.004 0.000 1.101 272 M CA -2.009 53.309 55.300 0.030 0.000 1.181 272 M CB -0.291 32.318 32.600 0.014 0.000 1.432 272 M HN 0.407 nan 8.290 nan 0.000 0.457 273 P HA -0.169 nan 4.420 nan 0.000 0.218 273 P C 0.641 177.931 177.300 -0.017 0.000 1.148 273 P CA 1.318 64.399 63.100 -0.031 0.000 0.822 273 P CB -0.035 31.629 31.700 -0.060 0.000 0.784 274 D N -1.912 118.478 120.400 -0.016 0.000 2.363 274 D HA 0.012 4.652 4.640 0.000 0.000 0.226 274 D C 1.485 177.787 176.300 0.003 0.000 1.020 274 D CA 1.013 55.008 54.000 -0.008 0.000 0.892 274 D CB -0.604 40.189 40.800 -0.011 0.000 0.900 274 D HN 0.271 nan 8.370 nan 0.000 0.531 275 G N 0.362 109.168 108.800 0.010 0.000 2.254 275 G HA2 -0.291 3.669 3.960 0.000 0.000 0.225 275 G HA3 -0.291 3.669 3.960 0.000 0.000 0.225 275 G C 0.500 175.416 174.900 0.027 0.000 1.003 275 G CA 0.403 45.515 45.100 0.020 0.000 0.622 275 G HN 0.817 nan 8.290 nan 0.000 0.507 276 S N 0.284 115.998 115.700 0.024 0.000 2.596 276 S HA 0.658 5.128 4.470 0.000 0.000 0.260 276 S C 0.336 174.962 174.600 0.042 0.000 1.336 276 S CA -0.059 58.157 58.200 0.028 0.000 0.993 276 S CB 1.100 64.313 63.200 0.022 0.000 0.923 276 S HN 0.719 nan 8.310 nan 0.000 0.567 277 I N 0.867 121.460 120.570 0.038 0.000 2.433 277 I HA 0.445 4.615 4.170 0.000 0.000 0.292 277 I C 0.302 176.444 176.117 0.043 0.000 1.001 277 I CA -0.579 60.750 61.300 0.048 0.000 1.119 277 I CB 1.815 39.826 38.000 0.019 0.000 1.289 277 I HN 0.669 nan 8.210 nan 0.000 0.438 278 R N 4.588 125.151 120.500 0.106 0.000 2.343 278 R HA 0.666 5.006 4.340 0.000 0.000 0.320 278 R C 0.071 176.441 176.300 0.117 0.000 0.956 278 R CA 0.260 56.431 56.100 0.119 0.000 0.836 278 R CB 1.337 31.750 30.300 0.188 0.000 1.151 278 R HN 0.948 nan 8.270 nan 0.000 0.450 279 G N 2.891 111.671 108.800 -0.033 0.000 2.445 279 G HA2 -0.238 3.723 3.960 0.000 0.000 0.212 279 G HA3 -0.238 3.723 3.960 0.000 0.000 0.212 279 G C -1.336 173.258 174.900 -0.510 0.000 1.217 279 G CA -0.276 44.760 45.100 -0.107 0.000 1.002 279 G HN 0.601 nan 8.290 nan 0.000 0.574 280 D N 1.602 121.833 120.400 -0.281 0.000 2.380 280 D HA 0.544 5.185 4.640 0.000 0.000 0.230 280 D C -0.965 175.262 176.300 -0.122 0.000 1.154 280 D CA -1.939 51.897 54.000 -0.274 0.000 0.859 280 D CB 1.406 42.348 40.800 0.236 0.000 1.045 280 D HN -0.014 nan 8.370 nan 0.000 0.495 281 P HA -0.117 nan 4.420 nan 0.000 0.218 281 P C 0.967 178.282 177.300 0.024 0.000 1.148 281 P CA 1.039 64.115 63.100 -0.039 0.000 0.822 281 P CB 0.264 31.945 31.700 -0.032 0.000 0.784 282 A N -0.432 122.422 122.820 0.056 0.000 2.076 282 A HA -0.160 4.160 4.320 0.000 0.000 0.220 282 A C 1.655 179.298 177.584 0.098 0.000 1.160 282 A CA 1.497 53.591 52.037 0.095 0.000 0.653 282 A CB -0.940 18.140 19.000 0.134 0.000 0.801 282 A HN 0.188 nan 8.150 nan 0.000 0.455 283 N N -0.343 118.402 118.700 0.074 0.000 2.275 283 N HA 0.156 4.896 4.740 0.000 0.000 0.236 283 N C 0.994 176.524 175.510 0.034 0.000 1.154 283 N CA 0.215 53.306 53.050 0.069 0.000 0.866 283 N CB 0.857 39.373 38.487 0.048 0.000 1.093 283 N HN 0.232 nan 8.380 nan 0.000 0.515 284 V N 0.841 120.771 119.914 0.026 0.000 2.358 284 V HA -0.193 3.927 4.120 0.000 0.000 0.246 284 V C 2.424 178.524 176.094 0.010 0.000 1.047 284 V CA 1.627 63.930 62.300 0.004 0.000 1.035 284 V CB -0.253 31.587 31.823 0.030 0.000 0.658 284 V HN 0.358 nan 8.190 nan 0.000 0.452 285 E N -0.394 119.836 120.200 0.050 0.000 2.051 285 E HA -0.253 4.098 4.350 0.000 0.000 0.192 285 E C 2.101 178.623 176.600 -0.130 0.000 0.991 285 E CA 1.536 57.954 56.400 0.031 0.000 0.799 285 E CB -0.186 29.612 29.700 0.163 0.000 0.748 285 E HN 0.539 nan 8.360 nan 0.000 0.449 286 F N 1.268 121.045 119.950 -0.288 0.000 2.171 286 F HA -0.177 4.350 4.527 0.000 0.000 0.300 286 F C 2.300 177.887 175.800 -0.355 0.000 1.090 286 F CA 1.791 59.483 58.000 -0.514 0.000 1.293 286 F CB -0.466 38.304 39.000 -0.383 0.000 1.013 286 F HN -0.021 nan 8.300 nan 0.000 0.486 287 T N 0.245 114.699 114.554 -0.167 0.000 2.720 287 T HA -0.222 4.128 4.350 0.000 0.000 0.268 287 T C 1.928 176.524 174.700 -0.172 0.000 1.037 287 T CA 1.479 63.450 62.100 -0.214 0.000 1.144 287 T CB -0.264 68.497 68.868 -0.179 0.000 0.864 287 T HN 0.253 nan 8.240 nan 0.000 0.444 288 Q N 0.492 120.211 119.800 -0.136 0.000 2.061 288 Q HA -0.046 4.294 4.340 0.000 0.000 0.204 288 Q C 2.383 178.282 176.000 -0.168 0.000 0.984 288 Q CA 0.944 56.695 55.803 -0.085 0.000 0.846 288 Q CB -0.810 27.896 28.738 -0.053 0.000 0.902 288 Q HN 0.381 nan 8.270 nan 0.000 0.421 289 L N 0.305 121.330 121.223 -0.330 0.000 2.043 289 L HA -0.245 4.095 4.340 0.000 0.000 0.212 289 L C 2.232 178.899 176.870 -0.338 0.000 1.075 289 L CA 1.737 56.355 54.840 -0.370 0.000 0.752 289 L CB -0.897 40.780 42.059 -0.636 0.000 0.891 289 L HN 0.309 nan 8.230 nan 0.000 0.432 290 C N -0.009 119.024 119.300 -0.444 0.000 2.429 290 C HA -0.167 4.293 4.460 0.000 0.000 0.277 290 C C 2.803 177.797 174.990 0.008 0.000 1.262 290 C CA 0.547 59.388 59.018 -0.295 0.000 1.733 290 C CB -0.764 26.698 27.740 -0.462 0.000 2.010 290 C HN 0.525 nan 8.230 nan 0.000 0.483 291 I N 1.126 121.740 120.570 0.073 0.000 2.226 291 I HA -0.195 3.975 4.170 0.000 0.000 0.245 291 I C 2.027 178.144 176.117 -0.000 0.000 1.100 291 I CA 1.556 62.920 61.300 0.108 0.000 1.374 291 I CB -0.584 37.477 38.000 0.102 0.000 1.057 291 I HN 0.342 nan 8.210 nan 0.000 0.413 292 D N 0.762 121.126 120.400 -0.061 0.000 2.218 292 D HA -0.091 4.549 4.640 0.000 0.000 0.204 292 D C 2.105 178.328 176.300 -0.129 0.000 0.976 292 D CA 1.103 55.039 54.000 -0.107 0.000 0.853 292 D CB -0.094 40.615 40.800 -0.151 0.000 0.939 292 D HN 0.346 nan 8.370 nan 0.000 0.481 293 L N -0.840 120.313 121.223 -0.117 0.000 2.591 293 L HA 0.203 4.543 4.340 0.000 0.000 0.228 293 L C 1.545 178.372 176.870 -0.072 0.000 1.133 293 L CA 0.578 55.350 54.840 -0.114 0.000 0.880 293 L CB 0.029 42.014 42.059 -0.122 0.000 1.033 293 L HN 0.157 nan 8.230 nan 0.000 0.450 294 G N -1.324 107.454 108.800 -0.037 0.000 2.255 294 G HA2 -0.268 3.693 3.960 0.000 0.000 0.196 294 G HA3 -0.268 3.693 3.960 0.000 0.000 0.196 294 G C -0.190 174.721 174.900 0.019 0.000 0.998 294 G CA -0.499 44.584 45.100 -0.029 0.000 0.656 294 G HN 0.259 nan 8.290 nan 0.000 0.490 295 W N 3.480 124.706 121.300 -0.123 0.000 2.308 295 W HA 0.563 5.223 4.660 0.000 0.000 0.324 295 W C 0.680 177.146 176.519 -0.089 0.000 1.387 295 W CA -0.169 57.113 57.345 -0.104 0.000 1.250 295 W CB 0.635 30.030 29.460 -0.109 0.000 1.257 295 W HN 0.090 nan 8.180 nan 0.000 0.554 296 K N 9.476 129.461 120.400 -0.692 0.000 2.284 296 K HA 0.185 4.505 4.320 0.000 0.000 0.287 296 K C -2.041 173.857 176.600 -1.170 0.000 1.081 296 K CA -1.599 54.279 56.287 -0.682 0.000 0.910 296 K CB 0.483 32.707 32.500 -0.460 0.000 1.088 296 K HN 0.238 nan 8.250 nan 0.000 0.478 297 P HA -0.014 nan 4.420 nan 0.000 0.265 297 P C -0.736 175.980 177.300 -0.974 0.000 1.193 297 P CA 0.183 62.675 63.100 -1.012 0.000 0.765 297 P CB 0.777 31.933 31.700 -0.907 0.000 0.823 298 K N 1.503 121.449 120.400 -0.757 0.000 2.360 298 K HA 0.069 4.389 4.320 0.000 0.000 0.196 298 K C -0.265 176.146 176.600 -0.316 0.000 1.049 298 K CA -0.094 55.956 56.287 -0.395 0.000 1.049 298 K CB -0.162 32.254 32.500 -0.139 0.000 0.881 298 K HN 0.298 nan 8.250 nan 0.000 0.542 299 Y N 0.203 120.118 120.300 -0.641 0.000 3.234 299 Y HA -0.245 4.305 4.550 0.000 0.000 0.207 299 Y C 0.536 176.327 175.900 -0.181 0.000 1.316 299 Y CA 0.564 58.206 58.100 -0.763 0.000 1.309 299 Y CB -2.160 35.976 38.460 -0.539 0.000 1.408 299 Y HN 0.179 nan 8.280 nan 0.000 0.544 300 G N -0.486 108.426 108.800 0.188 0.000 2.644 300 G HA2 0.616 4.576 3.960 0.000 0.000 0.307 300 G HA3 0.616 4.576 3.960 0.000 0.000 0.307 300 G C 0.517 175.543 174.900 0.210 0.000 1.250 300 G CA -1.030 44.184 45.100 0.189 0.000 0.996 300 G HN 0.232 nan 8.290 nan 0.000 0.489 301 R N -1.036 119.485 120.500 0.035 0.000 2.153 301 R HA 0.093 4.433 4.340 0.000 0.000 0.218 301 R C -0.108 175.837 176.300 -0.592 0.000 1.072 301 R CA 0.943 56.891 56.100 -0.255 0.000 0.990 301 R CB 0.031 30.059 30.300 -0.454 0.000 0.889 301 R HN 0.385 nan 8.270 nan 0.000 0.452 302 F N 0.892 120.829 119.950 -0.021 0.000 2.577 302 F HA 0.253 4.781 4.527 0.000 0.000 0.342 302 F C -0.855 174.866 175.800 -0.132 0.000 1.479 302 F CA -1.214 56.502 58.000 -0.473 0.000 1.110 302 F CB 0.596 39.101 39.000 -0.826 0.000 1.306 302 F HN -0.281 nan 8.300 nan 0.000 0.554 303 D N 1.586 122.160 120.400 0.289 0.000 2.295 303 D HA 0.219 4.859 4.640 0.000 0.000 0.248 303 D C 0.202 176.759 176.300 0.429 0.000 1.154 303 D CA 0.012 54.243 54.000 0.386 0.000 0.857 303 D CB 2.318 43.407 40.800 0.483 0.000 1.117 303 D HN -0.047 nan 8.370 nan 0.000 0.468 304 V N 2.923 123.060 119.914 0.371 0.000 2.521 304 V HA 0.006 4.126 4.120 0.000 0.000 0.286 304 V C 0.882 177.008 176.094 0.052 0.000 1.034 304 V CA -0.490 61.928 62.300 0.196 0.000 1.045 304 V CB 1.134 33.028 31.823 0.119 0.000 0.974 304 V HN 0.253 nan 8.190 nan 0.000 0.480 305 V N 8.531 128.371 119.914 -0.124 0.000 2.811 305 V HA 0.196 4.316 4.120 0.000 0.000 0.302 305 V C -1.465 174.454 176.094 -0.291 0.000 1.063 305 V CA -1.037 61.040 62.300 -0.371 0.000 1.088 305 V CB 1.216 32.899 31.823 -0.234 0.000 0.982 305 V HN 0.826 nan 8.190 nan 0.000 0.485 306 P HA 0.171 nan 4.420 nan 0.000 0.274 306 P C -0.807 176.463 177.300 -0.051 0.000 1.231 306 P CA -0.603 62.368 63.100 -0.215 0.000 0.790 306 P CB 0.887 32.399 31.700 -0.314 0.000 0.951 307 L N 2.606 123.867 121.223 0.063 0.000 2.360 307 L HA 0.100 4.440 4.340 0.000 0.000 0.276 307 L C 0.033 176.994 176.870 0.151 0.000 1.121 307 L CA 0.015 54.941 54.840 0.143 0.000 0.845 307 L CB 0.550 42.744 42.059 0.225 0.000 1.143 307 L HN 0.097 nan 8.230 nan 0.000 0.452 308 V N 6.870 126.890 119.914 0.175 0.000 2.259 308 V HA 0.308 4.428 4.120 0.000 0.000 0.267 308 V C 0.232 176.317 176.094 -0.015 0.000 1.051 308 V CA -0.527 61.800 62.300 0.045 0.000 0.830 308 V CB 0.430 32.293 31.823 0.067 0.000 1.080 308 V HN 0.494 nan 8.190 nan 0.000 0.467 309 L N 3.892 125.121 121.223 0.009 0.000 2.357 309 L HA 0.609 4.949 4.340 0.000 0.000 0.273 309 L C 0.066 176.834 176.870 -0.170 0.000 1.080 309 L CA -0.270 54.554 54.840 -0.028 0.000 0.803 309 L CB 1.345 43.412 42.059 0.013 0.000 1.174 309 L HN 0.552 nan 8.230 nan 0.000 0.443 310 Q N 2.299 122.014 119.800 -0.142 0.000 2.320 310 Q HA 0.589 4.929 4.340 0.000 0.000 0.268 310 Q C -1.334 174.564 176.000 -0.170 0.000 1.023 310 Q CA -0.652 55.048 55.803 -0.172 0.000 0.744 310 Q CB 2.030 30.737 28.738 -0.052 0.000 1.246 310 Q HN 0.777 nan 8.270 nan 0.000 0.462 311 A N 4.343 127.021 122.820 -0.236 0.000 2.289 311 A HA 0.299 4.619 4.320 0.000 0.000 0.298 311 A C 0.068 177.194 177.584 -0.764 0.000 1.208 311 A CA -0.376 51.364 52.037 -0.494 0.000 0.845 311 A CB 0.231 19.129 19.000 -0.169 0.000 1.125 311 A HN 1.002 nan 8.150 nan 0.000 0.517 312 N N 1.878 119.560 118.700 -1.696 0.000 2.837 312 N HA -0.222 4.518 4.740 0.000 0.000 0.293 312 N C 0.935 176.302 175.510 -0.239 0.000 1.035 312 N CA 1.915 54.442 53.050 -0.871 0.000 0.831 312 N CB -1.445 36.714 38.487 -0.546 0.000 0.957 312 N HN 2.185 nan 8.380 nan 0.000 0.594 313 G N 0.382 109.084 108.800 -0.163 0.000 2.377 313 G HA2 -0.430 3.531 3.960 0.000 0.000 0.250 313 G HA3 -0.430 3.531 3.960 0.000 0.000 0.250 313 G C 0.396 175.320 174.900 0.040 0.000 1.039 313 G CA 0.638 45.719 45.100 -0.031 0.000 0.625 313 G HN 0.849 nan 8.290 nan 0.000 0.526 314 R N 1.327 121.806 120.500 -0.035 0.000 2.758 314 R HA 0.254 4.595 4.340 0.000 0.000 0.263 314 R C -0.024 176.267 176.300 -0.014 0.000 1.010 314 R CA 0.029 56.125 56.100 -0.007 0.000 1.114 314 R CB 0.191 30.465 30.300 -0.043 0.000 0.985 314 R HN 0.280 nan 8.270 nan 0.000 0.439 315 D N 3.175 123.602 120.400 0.045 0.000 2.472 315 D HA 0.010 4.650 4.640 0.000 0.000 0.237 315 D C -1.905 174.275 176.300 -0.200 0.000 1.141 315 D CA -0.787 53.204 54.000 -0.015 0.000 0.875 315 D CB 0.326 41.250 40.800 0.207 0.000 1.192 315 D HN 0.285 nan 8.370 nan 0.000 0.450 316 P HA 0.069 nan 4.420 nan 0.000 0.269 316 P C -0.751 176.391 177.300 -0.263 0.000 1.215 316 P CA 0.014 62.785 63.100 -0.549 0.000 0.780 316 P CB 0.886 31.893 31.700 -1.156 0.000 0.898 317 E N 1.199 121.290 120.200 -0.182 0.000 2.248 317 E HA 0.426 4.776 4.350 0.000 0.000 0.267 317 E C -0.505 175.978 176.600 -0.195 0.000 0.877 317 E CA -0.864 55.431 56.400 -0.174 0.000 0.759 317 E CB 1.595 31.228 29.700 -0.113 0.000 1.182 317 E HN 0.360 nan 8.360 nan 0.000 0.418 318 L N 2.710 123.726 121.223 -0.345 0.000 2.350 318 L HA 0.517 4.857 4.340 0.000 0.000 0.275 318 L C -0.642 175.858 176.870 -0.618 0.000 1.099 318 L CA -0.320 54.347 54.840 -0.288 0.000 0.808 318 L CB 0.175 42.114 42.059 -0.200 0.000 1.149 318 L HN 0.459 nan 8.230 nan 0.000 0.442 319 F N 0.181 119.986 119.950 -0.241 0.000 2.581 319 F HA 0.315 4.842 4.527 0.000 0.000 0.311 319 F C 0.040 175.695 175.800 -0.242 0.000 1.113 319 F CA -0.713 57.012 58.000 -0.460 0.000 0.935 319 F CB 1.936 40.377 39.000 -0.931 0.000 1.232 319 F HN 0.419 nan 8.300 nan 0.000 0.445 320 E N 3.953 124.139 120.200 -0.022 0.000 2.174 320 E HA 0.421 4.771 4.350 0.000 0.000 0.282 320 E C -0.792 175.975 176.600 0.278 0.000 0.992 320 E CA -0.462 56.011 56.400 0.121 0.000 0.803 320 E CB 0.988 30.759 29.700 0.120 0.000 1.090 320 E HN 0.594 nan 8.360 nan 0.000 0.396 321 I N 6.491 127.229 120.570 0.280 0.000 2.452 321 I HA 0.104 4.274 4.170 0.000 0.000 0.287 321 I C -1.968 174.269 176.117 0.199 0.000 1.079 321 I CA -1.940 59.535 61.300 0.291 0.000 1.387 321 I CB 0.538 38.622 38.000 0.140 0.000 1.404 321 I HN 0.344 nan 8.210 nan 0.000 0.522 322 P HA -0.024 nan 4.420 nan 0.000 0.260 322 P C -1.737 175.619 177.300 0.094 0.000 1.185 322 P CA -0.801 62.381 63.100 0.136 0.000 0.763 322 P CB -0.010 31.756 31.700 0.111 0.000 0.776 323 P HA -0.223 nan 4.420 nan 0.000 0.218 323 P C 0.401 177.736 177.300 0.059 0.000 1.146 323 P CA 1.483 64.630 63.100 0.079 0.000 0.813 323 P CB 0.038 31.788 31.700 0.083 0.000 0.778 324 D N -0.574 119.858 120.400 0.053 0.000 2.351 324 D HA -0.063 4.577 4.640 0.000 0.000 0.216 324 D C 1.798 178.116 176.300 0.030 0.000 0.968 324 D CA 0.748 54.771 54.000 0.038 0.000 0.899 324 D CB -0.391 40.430 40.800 0.035 0.000 0.907 324 D HN 0.268 nan 8.370 nan 0.000 0.514 325 L N -0.241 121.000 121.223 0.031 0.000 2.556 325 L HA 0.147 4.487 4.340 0.000 0.000 0.226 325 L C 0.166 177.048 176.870 0.020 0.000 1.089 325 L CA 0.012 54.862 54.840 0.018 0.000 0.864 325 L CB 0.614 42.673 42.059 -0.000 0.000 1.067 325 L HN -0.138 nan 8.230 nan 0.000 0.477 326 V N 2.622 122.554 119.914 0.030 0.000 2.356 326 V HA 0.101 4.221 4.120 0.000 0.000 0.258 326 V C 0.025 176.151 176.094 0.053 0.000 1.065 326 V CA -0.318 62.002 62.300 0.034 0.000 0.935 326 V CB 0.950 32.796 31.823 0.039 0.000 1.061 326 V HN 0.052 nan 8.190 nan 0.000 0.484 327 L N 6.149 127.407 121.223 0.059 0.000 2.305 327 L HA 0.517 4.857 4.340 0.000 0.000 0.281 327 L C 0.095 177.006 176.870 0.068 0.000 1.085 327 L CA 0.648 55.517 54.840 0.049 0.000 0.813 327 L CB 0.730 42.814 42.059 0.043 0.000 1.157 327 L HN 0.679 nan 8.230 nan 0.000 0.436 328 E N 2.975 123.188 120.200 0.022 0.000 2.359 328 E HA 0.653 5.003 4.350 0.000 0.000 0.266 328 E C -1.557 174.975 176.600 -0.114 0.000 0.920 328 E CA -1.032 55.374 56.400 0.011 0.000 0.788 328 E CB 2.559 32.292 29.700 0.055 0.000 1.279 328 E HN 0.358 nan 8.360 nan 0.000 0.438 329 V N 1.404 121.218 119.914 -0.167 0.000 2.483 329 V HA 0.469 4.589 4.120 0.000 0.000 0.297 329 V C -0.591 175.433 176.094 -0.118 0.000 1.027 329 V CA -0.717 61.410 62.300 -0.288 0.000 0.855 329 V CB 1.513 32.861 31.823 -0.792 0.000 0.995 329 V HN 0.795 nan 8.190 nan 0.000 0.424 330 A N 7.035 129.801 122.820 -0.089 0.000 2.409 330 A HA 0.673 4.993 4.320 0.000 0.000 0.262 330 A C 0.095 177.700 177.584 0.034 0.000 1.113 330 A CA -0.353 51.665 52.037 -0.031 0.000 0.790 330 A CB 0.167 19.151 19.000 -0.027 0.000 1.046 330 A HN 0.694 nan 8.150 nan 0.000 0.496 331 M N 2.588 122.251 119.600 0.105 0.000 2.200 331 M HA 0.317 4.797 4.480 0.000 0.000 0.355 331 M C 0.334 176.803 176.300 0.281 0.000 1.283 331 M CA 0.401 55.836 55.300 0.225 0.000 1.124 331 M CB -0.037 32.768 32.600 0.342 0.000 1.625 331 M HN 0.896 nan 8.290 nan 0.000 0.463 332 E N 1.343 121.682 120.200 0.232 0.000 2.390 332 E HA 0.410 4.760 4.350 0.000 0.000 0.280 332 E C -1.510 175.082 176.600 -0.014 0.000 0.992 332 E CA -0.888 55.639 56.400 0.211 0.000 0.790 332 E CB 1.898 31.694 29.700 0.160 0.000 1.248 332 E HN 0.652 nan 8.360 nan 0.000 0.447 333 H N 2.167 121.047 119.070 -0.317 0.000 2.472 333 H HA 0.269 4.825 4.556 0.000 0.000 0.338 333 H C -1.752 173.241 175.328 -0.558 0.000 1.133 333 H CA -2.273 53.414 56.048 -0.601 0.000 1.216 333 H CB 2.090 31.337 29.762 -0.858 0.000 1.497 333 H HN 0.451 nan 8.280 nan 0.000 0.500 334 P HA -0.038 nan 4.420 nan 0.000 0.230 334 P C 0.279 177.390 177.300 -0.316 0.000 1.158 334 P CA 1.052 63.682 63.100 -0.784 0.000 0.769 334 P CB 0.858 31.973 31.700 -0.975 0.000 0.807 335 K N -1.585 118.743 120.400 -0.121 0.000 2.418 335 K HA 0.113 4.433 4.320 0.000 0.000 0.208 335 K C 0.184 176.747 176.600 -0.062 0.000 1.261 335 K CA 0.062 56.279 56.287 -0.116 0.000 0.874 335 K CB 0.047 32.408 32.500 -0.232 0.000 1.451 335 K HN -0.055 nan 8.250 nan 0.000 0.466 336 Y N 3.690 123.824 120.300 -0.275 0.000 2.674 336 Y HA 0.076 4.626 4.550 0.000 0.000 0.354 336 Y C 0.981 176.577 175.900 -0.507 0.000 1.089 336 Y CA -0.401 57.319 58.100 -0.632 0.000 1.444 336 Y CB -0.373 37.247 38.460 -1.399 0.000 1.187 336 Y HN 0.201 nan 8.280 nan 0.000 0.523 337 E N 3.094 123.245 120.200 -0.081 0.000 2.274 337 E HA -0.151 4.199 4.350 0.000 0.000 0.194 337 E C 1.473 178.113 176.600 0.066 0.000 0.996 337 E CA 0.835 57.242 56.400 0.011 0.000 0.840 337 E CB -0.100 29.643 29.700 0.072 0.000 0.772 337 E HN 0.892 nan 8.360 nan 0.000 0.491 338 W N -0.023 121.376 121.300 0.166 0.000 2.525 338 W HA -0.071 4.589 4.660 0.000 0.000 0.259 338 W C 1.241 177.835 176.519 0.125 0.000 1.253 338 W CA -0.133 57.274 57.345 0.104 0.000 1.262 338 W CB -0.767 28.717 29.460 0.040 0.000 1.122 338 W HN -0.041 nan 8.180 nan 0.000 0.607 339 F N 2.671 122.417 119.950 -0.341 0.000 2.161 339 F HA -0.146 4.381 4.527 0.000 0.000 0.300 339 F C 2.719 178.530 175.800 0.018 0.000 1.089 339 F CA 2.167 60.018 58.000 -0.248 0.000 1.282 339 F CB -0.315 38.446 39.000 -0.398 0.000 1.010 339 F HN -0.254 nan 8.300 nan 0.000 0.485 340 R N 0.110 120.713 120.500 0.173 0.000 2.127 340 R HA -0.180 4.161 4.340 0.000 0.000 0.238 340 R C 1.927 178.275 176.300 0.081 0.000 1.134 340 R CA 1.655 57.830 56.100 0.124 0.000 0.975 340 R CB -0.513 29.852 30.300 0.108 0.000 0.865 340 R HN 0.399 nan 8.270 nan 0.000 0.447 341 E N 0.604 120.871 120.200 0.111 0.000 2.333 341 E HA -0.155 4.195 4.350 0.000 0.000 0.198 341 E C 1.613 178.242 176.600 0.048 0.000 1.007 341 E CA 0.699 57.156 56.400 0.094 0.000 0.845 341 E CB -0.011 29.771 29.700 0.137 0.000 0.766 341 E HN 0.381 nan 8.360 nan 0.000 0.507 342 L N 0.369 121.586 121.223 -0.009 0.000 2.395 342 L HA -0.011 4.329 4.340 0.000 0.000 0.218 342 L C 0.278 177.136 176.870 -0.020 0.000 1.130 342 L CA 0.305 55.102 54.840 -0.072 0.000 0.826 342 L CB -0.362 41.533 42.059 -0.272 0.000 0.941 342 L HN 0.079 nan 8.230 nan 0.000 0.451 343 E N 1.067 121.268 120.200 0.002 0.000 2.228 343 E HA -0.211 4.140 4.350 0.000 0.000 0.213 343 E C -0.373 176.251 176.600 0.041 0.000 1.282 343 E CA 0.064 56.487 56.400 0.039 0.000 0.707 343 E CB -1.531 28.216 29.700 0.078 0.000 1.150 343 E HN 0.444 nan 8.360 nan 0.000 0.362 344 L N 0.468 121.666 121.223 -0.041 0.000 2.416 344 L HA 0.607 4.947 4.340 0.000 0.000 0.262 344 L C 0.586 177.329 176.870 -0.212 0.000 1.093 344 L CA -0.252 54.514 54.840 -0.123 0.000 0.801 344 L CB 1.119 43.044 42.059 -0.222 0.000 1.191 344 L HN 0.209 nan 8.230 nan 0.000 0.459 345 K N -0.433 119.749 120.400 -0.363 0.000 2.735 345 K HA 0.422 4.742 4.320 0.000 0.000 0.295 345 K C -2.132 174.545 176.600 0.129 0.000 1.052 345 K CA -1.080 55.104 56.287 -0.172 0.000 0.853 345 K CB 1.716 34.007 32.500 -0.348 0.000 1.535 345 K HN 0.592 nan 8.250 nan 0.000 0.383 346 W N 1.459 122.736 121.300 -0.038 0.000 3.146 346 W HA 0.332 4.993 4.660 0.000 0.000 0.319 346 W C -1.396 175.171 176.519 0.080 0.000 1.258 346 W CA -0.785 56.590 57.345 0.050 0.000 1.189 346 W CB 1.589 30.943 29.460 -0.177 0.000 1.412 346 W HN 0.684 nan 8.180 nan 0.000 0.567 347 Y N 0.939 121.171 120.300 -0.114 0.000 2.304 347 Y HA 0.552 5.103 4.550 0.000 0.000 0.327 347 Y C 0.759 176.862 175.900 0.339 0.000 1.209 347 Y CA 0.087 58.193 58.100 0.010 0.000 1.299 347 Y CB 0.384 38.721 38.460 -0.205 0.000 1.249 347 Y HN 0.342 nan 8.280 nan 0.000 0.519 348 A N 2.650 125.718 122.820 0.414 0.000 2.067 348 A HA 0.083 4.403 4.320 0.000 0.000 0.217 348 A C 0.422 178.352 177.584 0.577 0.000 1.156 348 A CA 0.255 52.612 52.037 0.534 0.000 0.683 348 A CB -0.258 18.915 19.000 0.288 0.000 0.808 348 A HN 0.664 nan 8.150 nan 0.000 0.455 349 L N 1.791 123.305 121.223 0.484 0.000 2.262 349 L HA 0.405 4.745 4.340 0.000 0.000 0.288 349 L C -2.508 174.512 176.870 0.251 0.000 1.035 349 L CA -2.139 52.878 54.840 0.294 0.000 0.820 349 L CB 1.586 43.731 42.059 0.144 0.000 1.204 349 L HN -0.045 nan 8.230 nan 0.000 0.424 350 P HA 0.291 nan 4.420 nan 0.000 0.258 350 P C -1.293 175.880 177.300 -0.212 0.000 1.647 350 P CA -0.302 62.623 63.100 -0.291 0.000 1.099 350 P CB 1.009 32.121 31.700 -0.979 0.000 1.604 351 A N 4.380 127.089 122.820 -0.185 0.000 2.316 351 A HA 0.418 4.739 4.320 0.000 0.000 0.324 351 A C 0.046 177.398 177.584 -0.387 0.000 1.375 351 A CA -0.668 51.194 52.037 -0.291 0.000 0.882 351 A CB 0.660 19.485 19.000 -0.290 0.000 1.152 351 A HN 0.281 nan 8.150 nan 0.000 0.512 352 V N 2.382 121.923 119.914 -0.622 0.000 2.479 352 V HA 0.320 4.441 4.120 0.000 0.000 0.281 352 V C 1.210 176.887 176.094 -0.694 0.000 1.031 352 V CA 1.052 62.937 62.300 -0.691 0.000 1.038 352 V CB 0.850 32.097 31.823 -0.959 0.000 0.981 352 V HN 1.036 nan 8.190 nan 0.000 0.478 353 A N 4.287 126.894 122.820 -0.355 0.000 2.358 353 A HA 0.162 4.482 4.320 0.000 0.000 0.223 353 A C 1.207 178.759 177.584 -0.053 0.000 1.218 353 A CA 0.154 52.077 52.037 -0.190 0.000 0.942 353 A CB 0.002 18.939 19.000 -0.106 0.000 1.005 353 A HN 0.810 nan 8.150 nan 0.000 0.514 354 N N 0.070 118.740 118.700 -0.051 0.000 2.376 354 N HA 0.268 5.008 4.740 0.000 0.000 0.249 354 N C -0.284 175.270 175.510 0.073 0.000 1.140 354 N CA -0.021 53.049 53.050 0.033 0.000 0.870 354 N CB -0.292 38.213 38.487 0.029 0.000 1.124 354 N HN 0.366 nan 8.380 nan 0.000 0.505 355 M N 0.159 119.811 119.600 0.087 0.000 2.644 355 M HA 0.413 4.893 4.480 0.000 0.000 0.316 355 M C -0.817 175.629 176.300 0.244 0.000 1.200 355 M CA -1.012 54.392 55.300 0.173 0.000 0.944 355 M CB 2.717 35.431 32.600 0.190 0.000 1.691 355 M HN 0.055 nan 8.290 nan 0.000 0.471 356 L N 2.821 124.211 121.223 0.278 0.000 2.296 356 L HA 0.534 4.874 4.340 0.000 0.000 0.286 356 L C -1.410 175.671 176.870 0.351 0.000 1.023 356 L CA -0.987 54.032 54.840 0.299 0.000 0.812 356 L CB 1.257 43.459 42.059 0.238 0.000 1.223 356 L HN 0.601 nan 8.230 nan 0.000 0.421 357 L N 5.260 126.679 121.223 0.327 0.000 2.265 357 L HA 0.415 4.755 4.340 0.000 0.000 0.288 357 L C -0.330 176.682 176.870 0.237 0.000 1.058 357 L CA 0.358 55.287 54.840 0.149 0.000 0.809 357 L CB 1.044 43.126 42.059 0.039 0.000 1.179 357 L HN 0.610 nan 8.230 nan 0.000 0.429 358 E N 5.020 125.336 120.200 0.194 0.000 2.133 358 E HA 0.408 4.758 4.350 0.000 0.000 0.274 358 E C -1.823 174.851 176.600 0.123 0.000 0.930 358 E CA -0.453 56.089 56.400 0.237 0.000 0.770 358 E CB 1.558 31.498 29.700 0.400 0.000 1.104 358 E HN 0.501 nan 8.360 nan 0.000 0.403 359 V N 3.333 123.305 119.914 0.097 0.000 2.419 359 V HA 0.341 4.461 4.120 0.000 0.000 0.287 359 V C 0.636 176.667 176.094 -0.106 0.000 1.017 359 V CA -0.304 61.947 62.300 -0.083 0.000 0.844 359 V CB 1.347 33.034 31.823 -0.226 0.000 1.011 359 V HN 0.892 nan 8.190 nan 0.000 0.429 360 G N 3.588 112.389 108.800 0.003 0.000 2.393 360 G HA2 0.081 4.042 3.960 0.000 0.000 0.299 360 G HA3 0.081 4.042 3.960 0.000 0.000 0.299 360 G C 1.290 176.303 174.900 0.189 0.000 0.990 360 G CA 1.146 46.346 45.100 0.167 0.000 1.118 360 G HN 2.240 nan 8.290 nan 0.000 0.513 361 G N -1.416 107.460 108.800 0.126 0.000 2.383 361 G HA2 -0.261 3.699 3.960 0.000 0.000 0.229 361 G HA3 -0.261 3.699 3.960 0.000 0.000 0.229 361 G C 0.729 175.655 174.900 0.044 0.000 1.089 361 G CA 0.416 45.575 45.100 0.098 0.000 0.640 361 G HN 1.352 nan 8.290 nan 0.000 0.510 362 L N 1.131 122.362 121.223 0.014 0.000 2.467 362 L HA 0.533 4.873 4.340 0.000 0.000 0.270 362 L C 0.472 177.288 176.870 -0.090 0.000 1.205 362 L CA 0.168 54.931 54.840 -0.127 0.000 0.828 362 L CB 0.491 42.390 42.059 -0.267 0.000 1.101 362 L HN 0.312 nan 8.230 nan 0.000 0.479 363 E N 1.735 121.793 120.200 -0.236 0.000 2.246 363 E HA 0.420 4.770 4.350 0.000 0.000 0.266 363 E C -1.608 174.840 176.600 -0.253 0.000 0.880 363 E CA -0.468 55.874 56.400 -0.097 0.000 0.762 363 E CB 1.954 31.619 29.700 -0.059 0.000 1.180 363 E HN 0.232 nan 8.360 nan 0.000 0.416 364 F N 3.591 123.567 119.950 0.043 0.000 2.366 364 F HA 0.274 4.801 4.527 0.000 0.000 0.366 364 F C -1.573 174.304 175.800 0.128 0.000 1.096 364 F CA -2.197 55.850 58.000 0.078 0.000 1.060 364 F CB 1.469 40.502 39.000 0.055 0.000 1.282 364 F HN 0.322 nan 8.300 nan 0.000 0.450 365 P HA 0.081 nan 4.420 nan 0.000 0.241 365 P C 0.453 177.920 177.300 0.278 0.000 1.191 365 P CA 0.519 63.754 63.100 0.224 0.000 0.771 365 P CB 0.694 32.485 31.700 0.152 0.000 0.929 366 G N 0.466 109.487 108.800 0.368 0.000 2.744 366 G HA2 0.447 4.407 3.960 0.000 0.000 0.309 366 G HA3 0.447 4.407 3.960 0.000 0.000 0.309 366 G C -0.355 174.784 174.900 0.399 0.000 1.328 366 G CA -0.418 44.965 45.100 0.472 0.000 1.034 366 G HN 0.254 nan 8.290 nan 0.000 0.518 367 C N 1.504 120.965 119.300 0.267 0.000 2.996 367 C HA 0.426 4.886 4.460 0.000 0.000 0.221 367 C C -2.599 172.466 174.990 0.126 0.000 1.122 367 C CA -1.841 57.261 59.018 0.140 0.000 1.040 367 C CB 0.392 28.256 27.740 0.205 0.000 1.804 367 C HN 0.515 nan 8.230 nan 0.000 0.659 368 P HA 0.364 nan 4.420 nan 0.000 0.268 368 P C -0.541 176.781 177.300 0.038 0.000 1.204 368 P CA 0.911 63.972 63.100 -0.065 0.000 0.768 368 P CB 0.577 32.253 31.700 -0.041 0.000 0.842 369 F N 0.816 120.704 119.950 -0.104 0.000 2.620 369 F HA 0.727 5.254 4.527 0.000 0.000 0.320 369 F C -0.643 175.044 175.800 -0.189 0.000 1.069 369 F CA -1.152 56.757 58.000 -0.151 0.000 0.953 369 F CB 1.781 40.535 39.000 -0.410 0.000 1.322 369 F HN 0.377 nan 8.300 nan 0.000 0.479 370 N N -0.245 118.511 118.700 0.092 0.000 2.591 370 N HA 0.669 5.409 4.740 0.000 0.000 0.263 370 N C -1.415 174.020 175.510 -0.124 0.000 1.308 370 N CA -0.381 52.646 53.050 -0.039 0.000 0.837 370 N CB 1.839 40.323 38.487 -0.004 0.000 1.548 370 N HN 1.127 nan 8.380 nan 0.000 0.493 371 G N -0.714 107.971 108.800 -0.193 0.000 3.183 371 G HA2 0.684 4.644 3.960 0.000 0.000 0.247 371 G HA3 0.684 4.644 3.960 0.000 0.000 0.247 371 G C -1.707 173.121 174.900 -0.120 0.000 1.211 371 G CA -0.808 44.105 45.100 -0.311 0.000 0.835 371 G HN 0.686 nan 8.290 nan 0.000 0.604 372 W N -1.575 119.716 121.300 -0.014 0.000 2.671 372 W HA 0.820 5.480 4.660 0.000 0.000 0.360 372 W C -1.188 175.312 176.519 -0.032 0.000 1.128 372 W CA -1.991 55.355 57.345 0.003 0.000 1.184 372 W CB 0.349 29.845 29.460 0.061 0.000 1.415 372 W HN 0.399 nan 8.180 nan 0.000 0.604 373 Y N 1.888 122.345 120.300 0.261 0.000 2.314 373 Y HA 0.284 4.834 4.550 0.000 0.000 0.334 373 Y C 0.639 176.575 175.900 0.060 0.000 1.266 373 Y CA -0.644 57.490 58.100 0.056 0.000 1.391 373 Y CB 1.078 39.469 38.460 -0.114 0.000 1.306 373 Y HN 0.366 nan 8.280 nan 0.000 0.558 374 M N 1.860 121.588 119.600 0.212 0.000 2.243 374 M HA 0.339 4.819 4.480 0.000 0.000 0.324 374 M C 1.061 177.331 176.300 -0.050 0.000 1.031 374 M CA -0.230 55.122 55.300 0.086 0.000 0.949 374 M CB 1.380 34.017 32.600 0.060 0.000 1.615 374 M HN 0.869 nan 8.290 nan 0.000 0.430 375 G N 1.830 110.557 108.800 -0.122 0.000 2.679 375 G HA2 -0.377 3.583 3.960 0.000 0.000 0.222 375 G HA3 -0.377 3.583 3.960 0.000 0.000 0.222 375 G C 1.152 175.889 174.900 -0.271 0.000 1.164 375 G CA 2.176 47.138 45.100 -0.230 0.000 0.769 375 G HN 0.877 nan 8.290 nan 0.000 0.610 376 T N -0.752 113.655 114.554 -0.245 0.000 2.778 376 T HA -0.106 4.244 4.350 0.000 0.000 0.269 376 T C 1.944 176.478 174.700 -0.276 0.000 1.050 376 T CA 1.818 63.738 62.100 -0.299 0.000 1.137 376 T CB -0.388 68.254 68.868 -0.376 0.000 0.860 376 T HN 0.590 nan 8.240 nan 0.000 0.468 377 E N 1.078 121.140 120.200 -0.230 0.000 2.038 377 E HA -0.090 4.260 4.350 0.000 0.000 0.195 377 E C 2.215 178.567 176.600 -0.414 0.000 1.000 377 E CA 1.693 57.974 56.400 -0.199 0.000 0.803 377 E CB -0.367 29.350 29.700 0.028 0.000 0.750 377 E HN 0.609 nan 8.360 nan 0.000 0.448 378 I N 0.533 120.692 120.570 -0.685 0.000 2.206 378 I HA -0.087 4.083 4.170 0.000 0.000 0.239 378 I C 2.687 178.243 176.117 -0.934 0.000 1.078 378 I CA 1.007 61.592 61.300 -1.191 0.000 1.367 378 I CB -0.842 36.278 38.000 -1.467 0.000 1.078 378 I HN 0.122 nan 8.210 nan 0.000 0.413 379 G N 1.131 109.610 108.800 -0.535 0.000 2.491 379 G HA2 -0.184 3.776 3.960 0.000 0.000 0.218 379 G HA3 -0.184 3.776 3.960 0.000 0.000 0.218 379 G C 1.649 176.500 174.900 -0.083 0.000 1.180 379 G CA 1.436 46.432 45.100 -0.173 0.000 0.774 379 G HN 0.238 nan 8.290 nan 0.000 0.562 380 V N 0.589 120.403 119.914 -0.167 0.000 2.300 380 V HA -0.000 4.120 4.120 0.000 0.000 0.241 380 V C 2.874 178.908 176.094 -0.101 0.000 1.034 380 V CA 1.420 63.648 62.300 -0.120 0.000 1.021 380 V CB -0.497 31.222 31.823 -0.173 0.000 0.662 380 V HN 0.142 nan 8.190 nan 0.000 0.458 381 R N 0.923 121.327 120.500 -0.160 0.000 2.072 381 R HA -0.067 4.273 4.340 0.000 0.000 0.221 381 R C 2.030 178.278 176.300 -0.087 0.000 1.166 381 R CA 1.655 57.682 56.100 -0.120 0.000 0.917 381 R CB -1.442 28.774 30.300 -0.140 0.000 0.815 381 R HN 0.471 nan 8.270 nan 0.000 0.444 382 D N 0.463 120.729 120.400 -0.223 0.000 2.149 382 D HA -0.168 4.472 4.640 0.000 0.000 0.194 382 D C 1.820 178.133 176.300 0.022 0.000 1.001 382 D CA 1.229 55.092 54.000 -0.229 0.000 0.849 382 D CB -0.206 40.062 40.800 -0.887 0.000 0.939 382 D HN 0.125 nan 8.370 nan 0.000 0.449 383 F N -0.264 119.620 119.950 -0.111 0.000 2.530 383 F HA 0.084 4.611 4.527 0.000 0.000 0.292 383 F C 2.211 178.064 175.800 0.088 0.000 1.109 383 F CA -0.307 57.706 58.000 0.021 0.000 1.450 383 F CB -0.289 38.693 39.000 -0.030 0.000 1.114 383 F HN 0.029 nan 8.300 nan 0.000 0.560 384 C N -1.428 118.004 119.300 0.220 0.000 3.188 384 C HA 0.212 4.672 4.460 0.000 0.000 0.315 384 C C 0.390 175.439 174.990 0.098 0.000 1.285 384 C CA -0.637 58.468 59.018 0.146 0.000 1.729 384 C CB -0.410 27.384 27.740 0.091 0.000 2.257 384 C HN 0.054 nan 8.230 nan 0.000 0.645 385 D N 1.272 121.721 120.400 0.082 0.000 2.472 385 D HA 0.064 4.704 4.640 0.000 0.000 0.237 385 D C 1.199 177.545 176.300 0.077 0.000 1.141 385 D CA 0.324 54.358 54.000 0.056 0.000 0.875 385 D CB 0.966 41.794 40.800 0.047 0.000 1.192 385 D HN -0.025 nan 8.370 nan 0.000 0.450 386 V N 2.330 122.278 119.914 0.056 0.000 2.407 386 V HA -0.232 3.888 4.120 0.000 0.000 0.248 386 V C 2.189 178.317 176.094 0.056 0.000 1.055 386 V CA 1.612 63.947 62.300 0.059 0.000 1.049 386 V CB -0.584 31.267 31.823 0.047 0.000 0.662 386 V HN 0.651 nan 8.190 nan 0.000 0.455 387 Q N -0.255 119.576 119.800 0.052 0.000 2.415 387 Q HA 0.023 4.363 4.340 0.000 0.000 0.206 387 Q C 1.010 177.043 176.000 0.055 0.000 0.946 387 Q CA 0.437 56.269 55.803 0.048 0.000 0.951 387 Q CB 0.207 28.973 28.738 0.047 0.000 1.026 387 Q HN 0.448 nan 8.270 nan 0.000 0.510 388 R N -0.397 120.151 120.500 0.081 0.000 3.237 388 R HA 0.261 4.601 4.340 0.000 0.000 0.193 388 R C 1.296 177.661 176.300 0.108 0.000 1.551 388 R CA -0.629 55.545 56.100 0.124 0.000 0.855 388 R CB -1.108 29.318 30.300 0.210 0.000 2.062 388 R HN 0.032 nan 8.270 nan 0.000 0.507 389 Y N 1.576 122.016 120.300 0.233 0.000 2.497 389 Y HA -0.038 4.512 4.550 0.000 0.000 0.292 389 Y C 0.641 176.640 175.900 0.165 0.000 1.137 389 Y CA 1.124 59.367 58.100 0.239 0.000 1.285 389 Y CB -0.413 38.286 38.460 0.397 0.000 0.991 389 Y HN 0.550 nan 8.280 nan 0.000 0.556 390 N N 1.170 120.025 118.700 0.259 0.000 2.666 390 N HA -0.228 4.512 4.740 0.000 0.000 0.274 390 N C 0.594 176.202 175.510 0.164 0.000 1.043 390 N CA 0.316 53.471 53.050 0.175 0.000 0.782 390 N CB -0.840 37.717 38.487 0.117 0.000 0.912 390 N HN 0.646 nan 8.380 nan 0.000 0.556 391 I N -1.948 118.726 120.570 0.174 0.000 3.883 391 I HA 0.029 4.199 4.170 0.000 0.000 0.326 391 I C 1.830 178.027 176.117 0.134 0.000 1.283 391 I CA -0.382 60.989 61.300 0.118 0.000 1.161 391 I CB -0.014 38.009 38.000 0.038 0.000 1.012 391 I HN 0.223 nan 8.210 nan 0.000 0.421 392 L N 2.083 123.404 121.223 0.163 0.000 2.010 392 L HA -0.288 4.052 4.340 0.000 0.000 0.219 392 L C 2.607 179.670 176.870 0.321 0.000 1.077 392 L CA 2.528 57.493 54.840 0.208 0.000 0.773 392 L CB -0.721 41.423 42.059 0.142 0.000 0.892 392 L HN 0.518 nan 8.230 nan 0.000 0.436 393 E N -1.029 119.346 120.200 0.290 0.000 2.077 393 E HA -0.286 4.064 4.350 0.000 0.000 0.193 393 E C 2.151 178.774 176.600 0.037 0.000 0.989 393 E CA 1.387 57.914 56.400 0.211 0.000 0.800 393 E CB -0.190 29.566 29.700 0.092 0.000 0.746 393 E HN 0.632 nan 8.360 nan 0.000 0.452 394 E N -0.206 120.011 120.200 0.028 0.000 2.058 394 E HA -0.198 4.152 4.350 0.000 0.000 0.194 394 E C 2.085 178.647 176.600 -0.064 0.000 0.997 394 E CA 1.632 58.006 56.400 -0.044 0.000 0.801 394 E CB 0.095 29.779 29.700 -0.028 0.000 0.746 394 E HN 0.180 nan 8.360 nan 0.000 0.450 395 V N 0.484 120.434 119.914 0.060 0.000 2.490 395 V HA -0.212 3.908 4.120 0.000 0.000 0.250 395 V C 2.316 178.483 176.094 0.121 0.000 1.061 395 V CA 1.821 64.226 62.300 0.175 0.000 1.064 395 V CB -0.885 31.146 31.823 0.346 0.000 0.670 395 V HN 0.482 nan 8.190 nan 0.000 0.461 396 G N -0.059 108.827 108.800 0.144 0.000 2.404 396 G HA2 -0.197 3.763 3.960 0.000 0.000 0.215 396 G HA3 -0.197 3.763 3.960 0.000 0.000 0.215 396 G C 1.749 176.557 174.900 -0.154 0.000 1.174 396 G CA 0.514 45.681 45.100 0.113 0.000 0.780 396 G HN 0.436 nan 8.290 nan 0.000 0.537 397 R N -0.159 120.192 120.500 -0.247 0.000 2.075 397 R HA 0.038 4.378 4.340 0.000 0.000 0.232 397 R C 2.687 178.767 176.300 -0.366 0.000 1.126 397 R CA 0.739 56.661 56.100 -0.297 0.000 0.963 397 R CB -0.246 29.895 30.300 -0.265 0.000 0.858 397 R HN 0.126 nan 8.270 nan 0.000 0.435 398 R N 0.535 120.726 120.500 -0.514 0.000 2.152 398 R HA -0.004 4.336 4.340 0.000 0.000 0.232 398 R C 1.968 177.700 176.300 -0.946 0.000 1.117 398 R CA 1.110 56.635 56.100 -0.959 0.000 0.981 398 R CB -0.255 29.047 30.300 -1.663 0.000 0.870 398 R HN 0.327 nan 8.270 nan 0.000 0.451 399 M N -0.646 118.649 119.600 -0.508 0.000 2.595 399 M HA 0.077 4.557 4.480 0.000 0.000 0.248 399 M C 0.731 176.910 176.300 -0.203 0.000 1.119 399 M CA 0.823 55.968 55.300 -0.259 0.000 1.079 399 M CB 0.264 32.860 32.600 -0.007 0.000 1.472 399 M HN 0.364 nan 8.290 nan 0.000 0.501 400 G N 1.785 110.446 108.800 -0.231 0.000 2.160 400 G HA2 -0.241 3.719 3.960 0.000 0.000 0.251 400 G HA3 -0.241 3.719 3.960 0.000 0.000 0.251 400 G C -0.002 174.831 174.900 -0.111 0.000 1.008 400 G CA -0.145 44.853 45.100 -0.169 0.000 0.724 400 G HN 0.403 nan 8.290 nan 0.000 0.514 401 L N -0.365 120.797 121.223 -0.100 0.000 2.453 401 L HA 0.356 4.696 4.340 0.000 0.000 0.261 401 L C 0.993 177.774 176.870 -0.149 0.000 1.179 401 L CA -0.586 54.228 54.840 -0.044 0.000 0.813 401 L CB 0.487 42.600 42.059 0.090 0.000 1.110 401 L HN 0.189 nan 8.230 nan 0.000 0.466 402 E N 0.422 120.573 120.200 -0.082 0.000 2.053 402 E HA -0.031 4.319 4.350 0.000 0.000 0.297 402 E C 0.881 177.254 176.600 -0.377 0.000 1.173 402 E CA -0.016 56.315 56.400 -0.116 0.000 1.219 402 E CB -0.094 29.612 29.700 0.010 0.000 1.103 402 E HN 0.641 nan 8.360 nan 0.000 0.476 403 T N -2.135 111.950 114.554 -0.783 0.000 3.139 403 T HA -0.152 4.198 4.350 0.000 0.000 0.267 403 T C 0.910 174.938 174.700 -1.120 0.000 1.164 403 T CA 1.035 62.130 62.100 -1.675 0.000 1.075 403 T CB -0.179 67.764 68.868 -1.542 0.000 0.904 403 T HN 0.449 nan 8.240 nan 0.000 0.540 404 H N -0.239 118.634 119.070 -0.327 0.000 2.615 404 H HA 0.392 4.948 4.556 0.000 0.000 0.275 404 H C 0.913 176.262 175.328 0.035 0.000 0.981 404 H CA 0.005 55.993 56.048 -0.099 0.000 1.252 404 H CB 0.455 30.161 29.762 -0.093 0.000 1.447 404 H HN 0.243 nan 8.280 nan 0.000 0.498 405 K N 1.959 122.449 120.400 0.149 0.000 2.250 405 K HA 0.026 4.346 4.320 0.000 0.000 0.285 405 K C 0.449 177.207 176.600 0.264 0.000 1.097 405 K CA -0.165 56.222 56.287 0.166 0.000 0.913 405 K CB 0.488 33.061 32.500 0.121 0.000 1.179 405 K HN 0.091 nan 8.250 nan 0.000 0.462 406 L N 4.574 125.945 121.223 0.247 0.000 2.127 406 L HA -0.120 4.220 4.340 0.000 0.000 0.211 406 L C 1.754 178.707 176.870 0.138 0.000 1.089 406 L CA 1.985 56.965 54.840 0.234 0.000 0.757 406 L CB -0.341 41.806 42.059 0.146 0.000 0.899 406 L HN 0.784 nan 8.230 nan 0.000 0.434 407 A N -1.928 120.962 122.820 0.117 0.000 2.276 407 A HA 0.046 4.366 4.320 0.000 0.000 0.212 407 A C 2.110 179.749 177.584 0.092 0.000 1.230 407 A CA 0.782 52.866 52.037 0.078 0.000 0.844 407 A CB -0.720 18.317 19.000 0.062 0.000 0.860 407 A HN 0.538 nan 8.150 nan 0.000 0.486 408 S N -0.664 115.125 115.700 0.149 0.000 2.528 408 S HA 0.179 4.650 4.470 0.000 0.000 0.219 408 S C 0.852 175.538 174.600 0.144 0.000 0.985 408 S CA 0.455 58.749 58.200 0.156 0.000 0.914 408 S CB -0.648 62.679 63.200 0.211 0.000 0.776 408 S HN 0.742 nan 8.310 nan 0.000 0.526 409 L N 0.907 122.186 121.223 0.093 0.000 3.865 409 L HA -0.175 4.165 4.340 0.000 0.000 0.408 409 L C 1.661 178.535 176.870 0.007 0.000 1.209 409 L CA 0.778 55.616 54.840 -0.004 0.000 0.940 409 L CB -2.462 39.604 42.059 0.012 0.000 1.971 409 L HN 0.764 nan 8.230 nan 0.000 0.899 410 W N 0.263 121.575 121.300 0.020 0.000 2.363 410 W HA -0.162 4.498 4.660 0.000 0.000 0.296 410 W C 1.712 178.250 176.519 0.030 0.000 1.212 410 W CA 1.350 58.707 57.345 0.021 0.000 1.260 410 W CB -0.693 28.765 29.460 -0.002 0.000 1.131 410 W HN 0.258 nan 8.180 nan 0.000 0.530 411 K N 0.811 120.619 120.400 -0.986 0.000 2.057 411 K HA -0.160 4.160 4.320 0.000 0.000 0.207 411 K C 1.691 178.098 176.600 -0.321 0.000 1.049 411 K CA 2.066 57.801 56.287 -0.920 0.000 0.931 411 K CB -0.333 31.559 32.500 -1.013 0.000 0.714 411 K HN 0.099 nan 8.250 nan 0.000 0.440 412 D N 0.788 121.057 120.400 -0.219 0.000 2.117 412 D HA -0.156 4.484 4.640 0.000 0.000 0.198 412 D C 1.998 178.298 176.300 0.000 0.000 0.982 412 D CA 1.144 55.092 54.000 -0.087 0.000 0.828 412 D CB -0.014 40.748 40.800 -0.063 0.000 0.967 412 D HN 0.331 nan 8.370 nan 0.000 0.464 413 Q N 0.697 120.527 119.800 0.048 0.000 2.079 413 Q HA -0.061 4.279 4.340 0.000 0.000 0.200 413 Q C 2.337 178.435 176.000 0.163 0.000 0.974 413 Q CA 1.116 56.990 55.803 0.118 0.000 0.840 413 Q CB -0.108 28.723 28.738 0.155 0.000 0.898 413 Q HN 0.187 nan 8.270 nan 0.000 0.430 414 A N 0.834 123.763 122.820 0.181 0.000 1.845 414 A HA -0.167 4.153 4.320 0.000 0.000 0.215 414 A C 2.294 179.994 177.584 0.193 0.000 1.195 414 A CA 1.573 53.756 52.037 0.243 0.000 0.616 414 A CB -1.163 18.008 19.000 0.285 0.000 0.832 414 A HN 0.266 nan 8.150 nan 0.000 0.443 415 V N -0.026 119.948 119.914 0.099 0.000 2.380 415 V HA -0.235 3.885 4.120 0.000 0.000 0.251 415 V C 2.414 178.549 176.094 0.069 0.000 1.063 415 V CA 2.546 64.885 62.300 0.067 0.000 1.055 415 V CB -0.448 31.369 31.823 -0.011 0.000 0.657 415 V HN 0.340 nan 8.190 nan 0.000 0.455 416 V N 0.061 120.020 119.914 0.074 0.000 2.307 416 V HA -0.140 3.980 4.120 0.000 0.000 0.245 416 V C 2.633 178.781 176.094 0.090 0.000 1.045 416 V CA 2.091 64.433 62.300 0.070 0.000 1.024 416 V CB -0.757 31.112 31.823 0.077 0.000 0.651 416 V HN 0.565 nan 8.190 nan 0.000 0.449 417 E N 0.121 120.415 120.200 0.157 0.000 2.110 417 E HA -0.144 4.206 4.350 0.000 0.000 0.193 417 E C 2.169 178.850 176.600 0.134 0.000 0.988 417 E CA 1.232 57.754 56.400 0.205 0.000 0.804 417 E CB -0.303 29.594 29.700 0.328 0.000 0.745 417 E HN 0.572 nan 8.360 nan 0.000 0.458 418 I N 1.644 122.328 120.570 0.191 0.000 2.226 418 I HA -0.251 3.919 4.170 0.000 0.000 0.245 418 I C 2.057 178.228 176.117 0.091 0.000 1.100 418 I CA 0.887 62.319 61.300 0.219 0.000 1.374 418 I CB -0.313 37.876 38.000 0.315 0.000 1.057 418 I HN 0.070 nan 8.210 nan 0.000 0.413 419 N N 0.703 119.430 118.700 0.046 0.000 2.459 419 N HA -0.041 4.699 4.740 0.000 0.000 0.181 419 N C 1.859 177.336 175.510 -0.055 0.000 1.046 419 N CA 1.037 54.075 53.050 -0.019 0.000 0.904 419 N CB 0.224 38.683 38.487 -0.048 0.000 0.964 419 N HN 0.414 nan 8.380 nan 0.000 0.444 420 I N 0.703 121.216 120.570 -0.095 0.000 2.480 420 I HA -0.104 4.067 4.170 0.000 0.000 0.251 420 I C 2.373 178.329 176.117 -0.268 0.000 1.124 420 I CA 0.233 61.420 61.300 -0.188 0.000 1.444 420 I CB -0.173 37.660 38.000 -0.278 0.000 1.098 420 I HN 0.004 nan 8.210 nan 0.000 0.428 421 A N 0.827 123.443 122.820 -0.340 0.000 1.877 421 A HA -0.151 4.169 4.320 0.000 0.000 0.216 421 A C 2.411 179.957 177.584 -0.063 0.000 1.186 421 A CA 1.656 53.472 52.037 -0.368 0.000 0.620 421 A CB -0.925 17.621 19.000 -0.757 0.000 0.822 421 A HN 0.211 nan 8.150 nan 0.000 0.443 422 V N -0.281 119.635 119.914 0.003 0.000 2.255 422 V HA -0.261 3.859 4.120 0.000 0.000 0.247 422 V C 2.523 178.655 176.094 0.063 0.000 1.051 422 V CA 2.079 64.424 62.300 0.074 0.000 1.018 422 V CB -0.853 30.945 31.823 -0.041 0.000 0.641 422 V HN 0.481 nan 8.190 nan 0.000 0.445 423 L N -0.380 120.828 121.223 -0.024 0.000 2.046 423 L HA -0.163 4.177 4.340 0.000 0.000 0.208 423 L C 2.447 179.341 176.870 0.040 0.000 1.077 423 L CA 2.234 57.062 54.840 -0.020 0.000 0.747 423 L CB -1.202 40.834 42.059 -0.038 0.000 0.896 423 L HN 0.561 nan 8.230 nan 0.000 0.432 424 H N -0.969 118.052 119.070 -0.081 0.000 2.293 424 H HA -0.122 4.434 4.556 0.000 0.000 0.300 424 H C 2.305 177.615 175.328 -0.030 0.000 1.082 424 H CA 1.998 57.986 56.048 -0.100 0.000 1.308 424 H CB -0.063 29.567 29.762 -0.220 0.000 1.375 424 H HN 0.220 nan 8.280 nan 0.000 0.495 425 S N -0.194 115.440 115.700 -0.110 0.000 2.359 425 S HA -0.159 4.311 4.470 0.000 0.000 0.224 425 S C 1.984 176.535 174.600 -0.081 0.000 1.035 425 S CA 1.465 59.592 58.200 -0.122 0.000 1.018 425 S CB -0.571 62.659 63.200 0.049 0.000 0.876 425 S HN 0.339 nan 8.310 nan 0.000 0.448 426 F N 1.894 121.773 119.950 -0.117 0.000 2.134 426 F HA -0.115 4.412 4.527 0.000 0.000 0.299 426 F C 2.705 178.439 175.800 -0.109 0.000 1.097 426 F CA 1.184 59.134 58.000 -0.084 0.000 1.264 426 F CB -0.688 38.281 39.000 -0.052 0.000 1.001 426 F HN 0.222 nan 8.300 nan 0.000 0.479 427 Q N -0.109 119.724 119.800 0.056 0.000 2.050 427 Q HA -0.240 4.100 4.340 0.000 0.000 0.202 427 Q C 2.256 178.194 176.000 -0.103 0.000 0.980 427 Q CA 1.651 57.436 55.803 -0.031 0.000 0.840 427 Q CB -0.312 28.401 28.738 -0.042 0.000 0.898 427 Q HN 0.343 nan 8.270 nan 0.000 0.424 428 K N 0.830 121.104 120.400 -0.210 0.000 2.147 428 K HA -0.178 4.142 4.320 0.000 0.000 0.205 428 K C 1.397 177.906 176.600 -0.152 0.000 1.049 428 K CA 1.241 57.392 56.287 -0.227 0.000 0.936 428 K CB 0.160 32.417 32.500 -0.404 0.000 0.722 428 K HN 0.184 nan 8.250 nan 0.000 0.446 429 Q N 0.364 120.073 119.800 -0.152 0.000 2.246 429 Q HA 0.101 4.441 4.340 0.000 0.000 0.202 429 Q C -0.747 175.191 176.000 -0.104 0.000 0.883 429 Q CA -0.235 55.488 55.803 -0.133 0.000 0.952 429 Q CB 0.509 29.141 28.738 -0.176 0.000 1.078 429 Q HN 0.300 nan 8.270 nan 0.000 0.493 430 N N -0.036 118.617 118.700 -0.077 0.000 2.738 430 N HA -0.146 4.594 4.740 0.000 0.000 0.249 430 N C -1.360 174.128 175.510 -0.035 0.000 1.047 430 N CA 0.593 53.612 53.050 -0.052 0.000 0.707 430 N CB -1.380 37.077 38.487 -0.051 0.000 0.937 430 N HN 0.014 nan 8.380 nan 0.000 0.545 431 V N 0.680 120.592 119.914 -0.004 0.000 2.487 431 V HA 0.261 4.381 4.120 0.000 0.000 0.298 431 V C 0.796 177.002 176.094 0.187 0.000 1.028 431 V CA -0.677 61.663 62.300 0.068 0.000 0.860 431 V CB 2.117 33.924 31.823 -0.027 0.000 0.991 431 V HN 0.187 nan 8.190 nan 0.000 0.427 432 T N 6.684 121.294 114.554 0.093 0.000 2.908 432 T HA 0.275 4.625 4.350 0.000 0.000 0.301 432 T C -0.255 174.476 174.700 0.052 0.000 1.019 432 T CA 0.781 62.856 62.100 -0.042 0.000 1.152 432 T CB -0.063 68.674 68.868 -0.219 0.000 0.966 432 T HN 0.358 nan 8.240 nan 0.000 0.540 433 I N 2.704 123.226 120.570 -0.081 0.000 3.004 433 I HA 0.509 4.679 4.170 0.000 0.000 0.305 433 I C -1.080 174.986 176.117 -0.085 0.000 1.312 433 I CA -1.074 60.165 61.300 -0.101 0.000 0.992 433 I CB 2.422 40.250 38.000 -0.287 0.000 1.282 433 I HN 0.689 nan 8.210 nan 0.000 0.449 434 M N 5.449 125.066 119.600 0.030 0.000 2.326 434 M HA 0.326 4.807 4.480 0.000 0.000 0.292 434 M C -1.404 174.930 176.300 0.056 0.000 1.081 434 M CA -0.642 54.707 55.300 0.082 0.000 0.919 434 M CB 1.837 34.610 32.600 0.288 0.000 1.634 434 M HN 0.536 nan 8.290 nan 0.000 0.451 435 D N 3.654 124.073 120.400 0.031 0.000 2.339 435 D HA 0.049 4.689 4.640 0.000 0.000 0.245 435 D C 0.852 177.157 176.300 0.009 0.000 1.115 435 D CA -0.116 53.900 54.000 0.027 0.000 0.917 435 D CB 0.552 41.344 40.800 -0.012 0.000 1.192 435 D HN 0.822 nan 8.370 nan 0.000 0.428 436 H N 0.860 119.815 119.070 -0.192 0.000 2.489 436 H HA -0.157 4.399 4.556 0.000 0.000 0.293 436 H C 1.014 176.232 175.328 -0.183 0.000 1.066 436 H CA 1.205 57.124 56.048 -0.215 0.000 1.305 436 H CB -0.565 29.024 29.762 -0.288 0.000 1.386 436 H HN 0.510 nan 8.280 nan 0.000 0.551 437 H N 1.015 119.871 119.070 -0.357 0.000 2.343 437 H HA 0.063 4.619 4.556 0.000 0.000 0.303 437 H C 2.363 177.655 175.328 -0.059 0.000 1.068 437 H CA 1.327 57.245 56.048 -0.218 0.000 1.359 437 H CB -0.077 29.529 29.762 -0.259 0.000 1.402 437 H HN 0.334 nan 8.280 nan 0.000 0.515 438 S N 0.795 116.542 115.700 0.078 0.000 2.382 438 S HA -0.097 4.373 4.470 0.000 0.000 0.228 438 S C 2.410 177.076 174.600 0.111 0.000 1.027 438 S CA 0.856 59.108 58.200 0.085 0.000 0.991 438 S CB -0.200 63.041 63.200 0.068 0.000 0.823 438 S HN 0.525 nan 8.310 nan 0.000 0.469 439 A N 1.719 124.603 122.820 0.107 0.000 1.873 439 A HA 0.158 4.478 4.320 0.000 0.000 0.215 439 A C 2.389 180.069 177.584 0.160 0.000 1.186 439 A CA 1.624 53.744 52.037 0.138 0.000 0.616 439 A CB -1.186 17.882 19.000 0.114 0.000 0.823 439 A HN 0.506 nan 8.150 nan 0.000 0.442 440 A N -0.048 122.849 122.820 0.129 0.000 1.908 440 A HA -0.197 4.123 4.320 0.000 0.000 0.218 440 A C 1.904 179.620 177.584 0.219 0.000 1.181 440 A CA 1.688 53.823 52.037 0.163 0.000 0.627 440 A CB -0.591 18.483 19.000 0.122 0.000 0.818 440 A HN 0.645 nan 8.150 nan 0.000 0.445 441 E N 0.191 120.493 120.200 0.170 0.000 2.204 441 E HA -0.136 4.214 4.350 0.000 0.000 0.194 441 E C 2.290 178.985 176.600 0.158 0.000 0.989 441 E CA 1.302 57.794 56.400 0.153 0.000 0.824 441 E CB -0.179 29.587 29.700 0.110 0.000 0.756 441 E HN 0.817 nan 8.360 nan 0.000 0.477 442 S N 0.429 116.232 115.700 0.172 0.000 2.414 442 S HA -0.106 4.364 4.470 0.000 0.000 0.227 442 S C 1.847 176.568 174.600 0.201 0.000 1.022 442 S CA 0.157 58.454 58.200 0.162 0.000 0.958 442 S CB -0.383 62.911 63.200 0.157 0.000 0.797 442 S HN 0.273 nan 8.310 nan 0.000 0.493 443 F N 2.356 122.382 119.950 0.126 0.000 2.186 443 F HA 0.075 4.602 4.527 0.000 0.000 0.299 443 F C 2.203 178.128 175.800 0.208 0.000 1.090 443 F CA 1.160 59.264 58.000 0.174 0.000 1.307 443 F CB -0.292 38.783 39.000 0.126 0.000 1.019 443 F HN 0.081 nan 8.300 nan 0.000 0.489 444 M N 0.239 119.958 119.600 0.199 0.000 2.117 444 M HA -0.171 4.309 4.480 0.000 0.000 0.262 444 M C 2.199 178.521 176.300 0.036 0.000 1.065 444 M CA 1.576 56.952 55.300 0.127 0.000 1.114 444 M CB -1.307 31.402 32.600 0.181 0.000 1.361 444 M HN 0.094 nan 8.290 nan 0.000 0.408 445 K N 0.148 120.582 120.400 0.056 0.000 2.097 445 K HA -0.191 4.129 4.320 0.000 0.000 0.205 445 K C 1.985 178.581 176.600 -0.007 0.000 1.050 445 K CA 1.301 57.614 56.287 0.043 0.000 0.938 445 K CB -0.760 31.779 32.500 0.066 0.000 0.718 445 K HN 0.305 nan 8.250 nan 0.000 0.442 446 Y N 0.447 120.646 120.300 -0.168 0.000 2.163 446 Y HA -0.137 4.413 4.550 0.000 0.000 0.288 446 Y C 2.145 177.845 175.900 -0.333 0.000 1.136 446 Y CA 2.273 60.228 58.100 -0.241 0.000 1.147 446 Y CB -0.412 37.860 38.460 -0.312 0.000 0.987 446 Y HN 0.132 nan 8.280 nan 0.000 0.509 447 M N 0.253 119.409 119.600 -0.740 0.000 2.108 447 M HA -0.295 4.185 4.480 0.000 0.000 0.261 447 M C 2.497 178.496 176.300 -0.501 0.000 1.066 447 M CA 2.311 57.165 55.300 -0.744 0.000 1.107 447 M CB -0.346 31.950 32.600 -0.507 0.000 1.356 447 M HN 0.558 nan 8.290 nan 0.000 0.406 448 Q N 0.154 119.817 119.800 -0.229 0.000 2.061 448 Q HA -0.237 4.103 4.340 0.000 0.000 0.204 448 Q C 1.499 177.445 176.000 -0.090 0.000 0.984 448 Q CA 2.048 57.845 55.803 -0.010 0.000 0.846 448 Q CB -0.119 28.715 28.738 0.160 0.000 0.902 448 Q HN 0.557 nan 8.270 nan 0.000 0.421 449 N N 0.484 119.091 118.700 -0.155 0.000 2.149 449 N HA -0.155 4.585 4.740 0.000 0.000 0.188 449 N C 1.540 176.910 175.510 -0.234 0.000 1.019 449 N CA 1.249 54.215 53.050 -0.140 0.000 0.857 449 N CB -0.170 38.261 38.487 -0.094 0.000 0.997 449 N HN 0.319 nan 8.380 nan 0.000 0.426 450 E N -0.091 119.839 120.200 -0.450 0.000 2.047 450 E HA -0.108 4.242 4.350 0.000 0.000 0.191 450 E C 1.829 178.151 176.600 -0.462 0.000 0.987 450 E CA 0.835 56.907 56.400 -0.546 0.000 0.799 450 E CB -0.475 28.722 29.700 -0.837 0.000 0.752 450 E HN 0.506 nan 8.360 nan 0.000 0.449 451 Y N 0.971 121.013 120.300 -0.431 0.000 2.333 451 Y HA -0.095 4.455 4.550 0.000 0.000 0.290 451 Y C 2.481 178.303 175.900 -0.131 0.000 1.144 451 Y CA 1.123 59.038 58.100 -0.308 0.000 1.228 451 Y CB 0.010 38.168 38.460 -0.504 0.000 0.985 451 Y HN -0.033 nan 8.280 nan 0.000 0.542 452 R N -0.878 119.624 120.500 0.003 0.000 2.161 452 R HA -0.060 4.280 4.340 0.000 0.000 0.213 452 R C 2.327 178.614 176.300 -0.022 0.000 1.055 452 R CA 1.297 57.410 56.100 0.022 0.000 0.996 452 R CB -0.152 30.166 30.300 0.031 0.000 0.901 452 R HN 0.365 nan 8.270 nan 0.000 0.456 453 S N 0.864 116.518 115.700 -0.077 0.000 2.444 453 S HA -0.049 4.421 4.470 0.000 0.000 0.223 453 S C 1.769 176.313 174.600 -0.093 0.000 1.054 453 S CA -0.008 58.148 58.200 -0.074 0.000 0.947 453 S CB 0.020 63.173 63.200 -0.077 0.000 0.850 453 S HN 0.330 nan 8.310 nan 0.000 0.527 454 R N 0.926 121.331 120.500 -0.158 0.000 2.509 454 R HA 0.469 4.809 4.340 0.000 0.000 0.300 454 R C 0.907 177.107 176.300 -0.167 0.000 0.985 454 R CA 0.158 56.166 56.100 -0.154 0.000 1.092 454 R CB -0.413 29.776 30.300 -0.185 0.000 1.237 454 R HN 0.481 nan 8.270 nan 0.000 0.546 455 G N 0.345 109.042 108.800 -0.173 0.000 2.371 455 G HA2 -0.050 3.910 3.960 0.000 0.000 0.299 455 G HA3 -0.050 3.910 3.960 0.000 0.000 0.299 455 G C 0.176 174.884 174.900 -0.320 0.000 1.014 455 G CA 0.310 45.326 45.100 -0.139 0.000 1.097 455 G HN 0.905 nan 8.290 nan 0.000 0.512 456 G N -2.290 106.025 108.800 -0.808 0.000 2.358 456 G HA2 0.567 4.527 3.960 0.000 0.000 0.301 456 G HA3 0.567 4.527 3.960 0.000 0.000 0.301 456 G C -0.763 173.556 174.900 -0.967 0.000 1.539 456 G CA 0.226 44.773 45.100 -0.921 0.000 0.893 456 G HN 2.016 nan 8.290 nan 0.000 0.636 457 C N 2.835 121.723 119.300 -0.687 0.000 3.044 457 C HA 0.604 5.064 4.460 0.000 0.000 0.382 457 C C -2.593 172.247 174.990 -0.250 0.000 1.071 457 C CA -1.140 57.615 59.018 -0.438 0.000 1.296 457 C CB 0.900 28.350 27.740 -0.483 0.000 1.730 457 C HN 0.707 nan 8.230 nan 0.000 0.513 458 P HA 0.366 nan 4.420 nan 0.000 0.263 458 P C -0.506 176.666 177.300 -0.214 0.000 1.195 458 P CA 0.787 63.453 63.100 -0.723 0.000 0.762 458 P CB 0.945 32.196 31.700 -0.748 0.000 0.799 459 A N 2.828 125.585 122.820 -0.105 0.000 2.459 459 A HA 0.375 4.695 4.320 0.000 0.000 0.296 459 A C -1.011 176.631 177.584 0.096 0.000 1.039 459 A CA -0.565 51.520 52.037 0.079 0.000 0.698 459 A CB 1.230 20.376 19.000 0.244 0.000 1.261 459 A HN 0.425 nan 8.150 nan 0.000 0.405 460 D N 2.199 122.656 120.400 0.094 0.000 2.467 460 D HA 0.140 4.780 4.640 0.000 0.000 0.220 460 D C 0.856 177.294 176.300 0.229 0.000 1.103 460 D CA -0.435 53.660 54.000 0.157 0.000 0.886 460 D CB 0.348 41.213 40.800 0.109 0.000 1.025 460 D HN 0.624 nan 8.370 nan 0.000 0.514 461 W N 4.382 125.727 121.300 0.076 0.000 2.304 461 W HA -0.250 4.410 4.660 0.000 0.000 0.315 461 W C 1.805 178.367 176.519 0.071 0.000 1.233 461 W CA 1.283 58.659 57.345 0.052 0.000 1.261 461 W CB -0.091 29.383 29.460 0.022 0.000 1.150 461 W HN 0.473 nan 8.180 nan 0.000 0.494 462 I N -1.140 119.742 120.570 0.520 0.000 2.335 462 I HA -0.319 3.851 4.170 0.000 0.000 0.251 462 I C 1.805 178.036 176.117 0.190 0.000 1.129 462 I CA 1.539 63.083 61.300 0.406 0.000 1.402 462 I CB -0.639 37.607 38.000 0.410 0.000 1.069 462 I HN 0.115 nan 8.210 nan 0.000 0.424 463 W N 0.171 121.472 121.300 0.001 0.000 2.630 463 W HA 0.121 4.781 4.660 0.000 0.000 0.271 463 W C 2.268 178.695 176.519 -0.154 0.000 1.244 463 W CA 0.261 57.575 57.345 -0.051 0.000 1.353 463 W CB -0.354 29.098 29.460 -0.013 0.000 1.080 463 W HN -0.053 nan 8.180 nan 0.000 0.594 464 L N -0.228 120.969 121.223 -0.044 0.000 2.109 464 L HA -0.054 4.287 4.340 0.000 0.000 0.207 464 L C 0.693 177.363 176.870 -0.333 0.000 1.086 464 L CA 0.428 55.107 54.840 -0.267 0.000 0.760 464 L CB -1.026 40.770 42.059 -0.437 0.000 0.910 464 L HN -0.401 nan 8.230 nan 0.000 0.437 465 V N 1.470 121.119 119.914 -0.442 0.000 2.446 465 V HA 0.094 4.214 4.120 0.000 0.000 0.276 465 V C -1.866 174.071 176.094 -0.262 0.000 1.030 465 V CA -1.289 60.748 62.300 -0.437 0.000 1.033 465 V CB 0.184 31.543 31.823 -0.774 0.000 0.993 465 V HN 0.047 nan 8.190 nan 0.000 0.477 466 P HA 0.042 nan 4.420 nan 0.000 0.265 466 P C -1.680 175.516 177.300 -0.173 0.000 1.187 466 P CA -0.808 62.195 63.100 -0.163 0.000 0.766 466 P CB 0.095 31.742 31.700 -0.089 0.000 0.820 467 P HA -0.072 nan 4.420 nan 0.000 0.236 467 P C 0.081 177.287 177.300 -0.157 0.000 1.172 467 P CA 1.387 64.382 63.100 -0.175 0.000 0.759 467 P CB -0.006 31.577 31.700 -0.195 0.000 0.843 468 M N -4.933 114.553 119.600 -0.190 0.000 2.484 468 M HA 0.529 5.009 4.480 0.000 0.000 0.289 468 M C -0.411 175.841 176.300 -0.079 0.000 1.206 468 M CA -0.665 54.546 55.300 -0.149 0.000 0.892 468 M CB 2.074 34.555 32.600 -0.199 0.000 1.712 468 M HN -0.374 nan 8.290 nan 0.000 0.462 469 S N 1.060 116.749 115.700 -0.018 0.000 3.631 469 S HA -0.169 4.301 4.470 0.000 0.000 0.366 469 S C 1.101 175.706 174.600 0.009 0.000 0.993 469 S CA 0.755 58.978 58.200 0.039 0.000 1.167 469 S CB -1.804 61.504 63.200 0.181 0.000 0.909 469 S HN 1.210 nan 8.310 nan 0.000 0.478 470 G N 2.418 111.180 108.800 -0.064 0.000 2.586 470 G HA2 -0.321 3.639 3.960 0.000 0.000 0.218 470 G HA3 -0.321 3.639 3.960 0.000 0.000 0.218 470 G C 1.488 176.215 174.900 -0.289 0.000 1.216 470 G CA 1.477 46.518 45.100 -0.098 0.000 0.786 470 G HN 1.285 nan 8.290 nan 0.000 0.583 471 S N 0.240 115.509 115.700 -0.717 0.000 2.547 471 S HA 0.044 4.514 4.470 0.000 0.000 0.235 471 S C 1.947 176.441 174.600 -0.176 0.000 0.980 471 S CA 0.634 58.243 58.200 -0.985 0.000 0.941 471 S CB -0.111 62.452 63.200 -1.061 0.000 0.763 471 S HN 0.183 nan 8.310 nan 0.000 0.532 472 I N 2.888 123.423 120.570 -0.059 0.000 3.428 472 I HA 0.079 4.249 4.170 0.000 0.000 0.286 472 I C 1.137 177.333 176.117 0.131 0.000 1.287 472 I CA 0.457 61.795 61.300 0.063 0.000 1.396 472 I CB -2.009 36.039 38.000 0.079 0.000 1.062 472 I HN 0.493 nan 8.210 nan 0.000 0.471 473 T N -1.359 113.281 114.554 0.144 0.000 2.855 473 T HA 0.396 4.746 4.350 0.000 0.000 0.281 473 T C -1.554 173.296 174.700 0.249 0.000 1.007 473 T CA -1.853 60.358 62.100 0.185 0.000 1.009 473 T CB 2.538 71.491 68.868 0.142 0.000 0.983 473 T HN -0.128 nan 8.240 nan 0.000 0.455 474 P HA -0.106 nan 4.420 nan 0.000 0.221 474 P C 1.766 179.257 177.300 0.317 0.000 1.145 474 P CA 0.957 64.253 63.100 0.326 0.000 0.795 474 P CB -0.297 31.544 31.700 0.235 0.000 0.775 475 V N -3.851 116.194 119.914 0.219 0.000 2.626 475 V HA -0.174 3.946 4.120 0.000 0.000 0.252 475 V C 2.332 178.459 176.094 0.055 0.000 1.067 475 V CA 1.204 63.585 62.300 0.134 0.000 1.081 475 V CB -2.150 29.655 31.823 -0.030 0.000 0.686 475 V HN -0.095 nan 8.190 nan 0.000 0.468 476 F N 1.784 121.664 119.950 -0.117 0.000 2.186 476 F HA -0.065 4.462 4.527 0.000 0.000 0.299 476 F C 2.271 178.219 175.800 0.247 0.000 1.090 476 F CA 1.839 59.789 58.000 -0.085 0.000 1.307 476 F CB -0.271 38.578 39.000 -0.252 0.000 1.019 476 F HN 0.282 nan 8.300 nan 0.000 0.489 477 H N -0.347 119.078 119.070 0.592 0.000 2.538 477 H HA 0.164 4.720 4.556 0.000 0.000 0.286 477 H C -0.004 175.571 175.328 0.413 0.000 1.035 477 H CA 0.085 56.436 56.048 0.504 0.000 1.169 477 H CB -0.265 29.768 29.762 0.451 0.000 1.417 477 H HN 0.268 nan 8.280 nan 0.000 0.567 478 Q N 1.702 121.789 119.800 0.478 0.000 2.333 478 Q HA 0.196 4.536 4.340 0.000 0.000 0.265 478 Q C -0.633 175.613 176.000 0.410 0.000 0.989 478 Q CA -0.489 55.544 55.803 0.383 0.000 0.842 478 Q CB 1.050 29.999 28.738 0.352 0.000 1.262 478 Q HN 0.237 nan 8.270 nan 0.000 0.451 479 E N 3.939 124.308 120.200 0.282 0.000 2.354 479 E HA 0.456 4.806 4.350 0.000 0.000 0.269 479 E C -0.354 176.384 176.600 0.230 0.000 1.036 479 E CA -0.013 56.523 56.400 0.226 0.000 0.876 479 E CB 0.806 30.608 29.700 0.171 0.000 1.009 479 E HN 0.683 nan 8.360 nan 0.000 0.416 480 M N 0.710 120.445 119.600 0.225 0.000 2.644 480 M HA 0.478 4.958 4.480 0.000 0.000 0.273 480 M C -1.567 174.845 176.300 0.186 0.000 1.253 480 M CA -0.969 54.468 55.300 0.229 0.000 0.852 480 M CB 1.407 34.182 32.600 0.291 0.000 1.708 480 M HN 0.210 nan 8.290 nan 0.000 0.471 481 L N 1.631 122.971 121.223 0.195 0.000 2.313 481 L HA 0.548 4.888 4.340 0.000 0.000 0.283 481 L C -0.817 176.126 176.870 0.122 0.000 1.013 481 L CA -0.445 54.519 54.840 0.206 0.000 0.816 481 L CB 1.746 43.984 42.059 0.299 0.000 1.236 481 L HN 0.837 nan 8.230 nan 0.000 0.419 482 N N 2.955 121.732 118.700 0.128 0.000 2.408 482 N HA 0.580 5.320 4.740 0.000 0.000 0.280 482 N C -1.732 173.846 175.510 0.113 0.000 1.002 482 N CA -0.405 52.645 53.050 0.001 0.000 0.907 482 N CB 1.285 39.807 38.487 0.058 0.000 1.161 482 N HN 0.495 nan 8.380 nan 0.000 0.488 483 Y N -0.353 119.970 120.300 0.039 0.000 2.624 483 Y HA 0.442 4.992 4.550 0.000 0.000 0.334 483 Y C -1.399 174.474 175.900 -0.044 0.000 1.155 483 Y CA -1.211 56.889 58.100 0.000 0.000 1.046 483 Y CB 0.464 38.932 38.460 0.014 0.000 1.316 483 Y HN -0.020 nan 8.280 nan 0.000 0.457 484 V N 3.861 123.790 119.914 0.025 0.000 2.465 484 V HA 0.465 4.585 4.120 0.000 0.000 0.279 484 V C 0.103 176.123 176.094 -0.122 0.000 1.045 484 V CA -0.334 61.778 62.300 -0.313 0.000 0.938 484 V CB 0.854 32.299 31.823 -0.630 0.000 0.986 484 V HN 0.776 nan 8.190 nan 0.000 0.467 485 L N 2.698 123.876 121.223 -0.076 0.000 2.535 485 L HA 0.783 5.123 4.340 0.000 0.000 0.259 485 L C 0.013 176.922 176.870 0.064 0.000 1.263 485 L CA -0.588 54.286 54.840 0.056 0.000 1.282 485 L CB 1.790 43.923 42.059 0.124 0.000 1.901 485 L HN 0.617 nan 8.230 nan 0.000 0.572 486 S N -0.681 115.090 115.700 0.117 0.000 2.562 486 S HA 0.505 4.975 4.470 0.000 0.000 0.274 486 S C -2.765 171.935 174.600 0.166 0.000 1.160 486 S CA -0.925 57.367 58.200 0.154 0.000 0.933 486 S CB 1.856 65.156 63.200 0.167 0.000 1.100 486 S HN 0.111 nan 8.310 nan 0.000 0.468 487 P HA 0.433 nan 4.420 nan 0.000 0.270 487 P C -1.250 176.055 177.300 0.007 0.000 1.227 487 P CA -0.032 63.092 63.100 0.040 0.000 0.788 487 P CB 0.236 31.896 31.700 -0.067 0.000 0.926 488 F N 0.287 120.059 119.950 -0.297 0.000 2.678 488 F HA 0.413 4.940 4.527 0.000 0.000 0.308 488 F C -1.606 173.869 175.800 -0.541 0.000 1.118 488 F CA -0.735 56.995 58.000 -0.450 0.000 0.959 488 F CB 1.195 39.882 39.000 -0.521 0.000 1.305 488 F HN 0.153 nan 8.300 nan 0.000 0.443 489 Y N 4.658 124.424 120.300 -0.890 0.000 2.595 489 Y HA 0.396 4.946 4.550 0.000 0.000 0.336 489 Y C -0.878 174.720 175.900 -0.505 0.000 0.996 489 Y CA -0.715 57.071 58.100 -0.523 0.000 1.260 489 Y CB 0.045 38.170 38.460 -0.558 0.000 1.108 489 Y HN 0.358 nan 8.280 nan 0.000 0.509 490 Y N 1.015 121.390 120.300 0.125 0.000 2.316 490 Y HA 0.285 4.836 4.550 0.000 0.000 0.324 490 Y C 0.119 176.034 175.900 0.024 0.000 1.267 490 Y CA -0.762 57.422 58.100 0.139 0.000 1.311 490 Y CB 0.632 39.215 38.460 0.205 0.000 1.267 490 Y HN 0.411 nan 8.280 nan 0.000 0.516 491 Y N 0.311 120.780 120.300 0.282 0.000 2.286 491 Y HA 0.361 4.911 4.550 0.000 0.000 0.347 491 Y C 0.100 176.069 175.900 0.115 0.000 1.351 491 Y CA -0.730 57.456 58.100 0.143 0.000 1.640 491 Y CB 0.534 39.046 38.460 0.086 0.000 1.560 491 Y HN 0.433 nan 8.280 nan 0.000 0.574 492 Q N -0.781 119.157 119.800 0.230 0.000 2.511 492 Q HA 0.486 4.826 4.340 0.000 0.000 0.289 492 Q C -1.787 174.189 176.000 -0.040 0.000 1.021 492 Q CA -1.113 54.732 55.803 0.070 0.000 0.785 492 Q CB 2.714 31.471 28.738 0.032 0.000 1.472 492 Q HN 0.303 nan 8.270 nan 0.000 0.411 493 V N 2.686 122.531 119.914 -0.115 0.000 2.455 493 V HA 0.028 4.148 4.120 0.000 0.000 0.273 493 V C 0.264 176.137 176.094 -0.368 0.000 1.045 493 V CA -0.409 61.763 62.300 -0.213 0.000 0.976 493 V CB 0.610 32.317 31.823 -0.193 0.000 0.993 493 V HN 0.666 nan 8.190 nan 0.000 0.475 494 E N 4.692 124.567 120.200 -0.542 0.000 2.729 494 E HA -0.073 4.277 4.350 0.000 0.000 0.246 494 E C 1.345 177.318 176.600 -1.044 0.000 0.984 494 E CA 0.583 56.420 56.400 -0.938 0.000 0.951 494 E CB 0.440 29.133 29.700 -1.678 0.000 0.914 494 E HN 0.691 nan 8.360 nan 0.000 0.509 495 A N 5.137 127.393 122.820 -0.940 0.000 1.929 495 A HA -0.266 4.054 4.320 0.000 0.000 0.221 495 A C 1.813 178.741 177.584 -1.093 0.000 1.211 495 A CA 2.352 53.712 52.037 -1.128 0.000 0.657 495 A CB -1.412 16.449 19.000 -1.897 0.000 0.827 495 A HN 0.981 nan 8.150 nan 0.000 0.462 496 W N 0.021 120.724 121.300 -0.995 0.000 2.387 496 W HA -0.058 4.602 4.660 0.000 0.000 0.272 496 W C 1.362 177.862 176.519 -0.032 0.000 1.224 496 W CA 1.159 58.314 57.345 -0.316 0.000 1.210 496 W CB -0.229 29.346 29.460 0.191 0.000 1.125 496 W HN 0.219 nan 8.180 nan 0.000 0.572 497 K N 0.378 120.544 120.400 -0.390 0.000 2.459 497 K HA 0.057 4.377 4.320 0.000 0.000 0.193 497 K C 1.282 177.819 176.600 -0.105 0.000 1.030 497 K CA 1.436 57.618 56.287 -0.175 0.000 1.026 497 K CB -0.120 32.195 32.500 -0.309 0.000 0.809 497 K HN 0.388 nan 8.250 nan 0.000 0.504 498 T N -3.619 110.841 114.554 -0.156 0.000 3.087 498 T HA 0.057 4.408 4.350 0.000 0.000 0.283 498 T C -0.051 174.600 174.700 -0.081 0.000 0.956 498 T CA -0.494 61.541 62.100 -0.109 0.000 0.894 498 T CB -0.218 68.562 68.868 -0.147 0.000 1.160 498 T HN 0.048 nan 8.240 nan 0.000 0.532 499 H N 2.421 121.369 119.070 -0.203 0.000 2.652 499 H HA 0.476 5.032 4.556 0.000 0.000 0.349 499 H C 0.199 175.388 175.328 -0.233 0.000 1.099 499 H CA -0.149 55.739 56.048 -0.268 0.000 1.417 499 H CB 1.185 30.708 29.762 -0.398 0.000 1.457 499 H HN 0.218 nan 8.280 nan 0.000 0.568 500 V N 3.219 122.670 119.914 -0.772 0.000 2.247 500 V HA 0.221 4.341 4.120 0.000 0.000 0.262 500 V C -0.293 175.487 176.094 -0.524 0.000 1.096 500 V CA -1.091 60.935 62.300 -0.456 0.000 0.895 500 V CB -1.163 30.479 31.823 -0.301 0.000 1.141 500 V HN 0.611 nan 8.190 nan 0.000 0.478 501 W N 2.743 123.966 121.300 -0.128 0.000 2.209 501 W HA 0.364 5.024 4.660 0.000 0.000 0.344 501 W C 0.831 177.348 176.519 -0.003 0.000 1.285 501 W CA 0.291 57.659 57.345 0.038 0.000 1.267 501 W CB 0.337 29.871 29.460 0.123 0.000 1.167 501 W HN 0.523 nan 8.180 nan 0.000 0.574 502 Q N 0.000 119.993 119.800 0.321 0.000 2.315 502 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 502 Q CA 0.000 55.907 55.803 0.173 0.000 1.022 502 Q CB 0.000 28.812 28.738 0.124 0.000 1.108 502 Q HN 0.000 nan 8.270 nan 0.000 0.481