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 1o7a_1_E DATA FIRST_RESID 54 DATA SEQUENCE PALWPLPLSV KMTPNLLHLA PENFYISHSP NSTAGPSCTL LEEAFRRYHG DATA SEQUENCE YIFGXXXXXX XXXXXXXXTQ VQQLLVSITL QSECDAFPNI SSDESYTLLV DATA SEQUENCE KEPVAVLKAN RVWGALRGLE TFSQLVYQDS YGTFTINEST IIDSPRFSHR DATA SEQUENCE GILIDTSRHY LPVKIILKTL DAMAFNKFNV LHWHIVDDQS FPYQSITFPE DATA SEQUENCE LSNKGSYSLS HVYTPNDVRM VIEYARLRGI RVLPEFDTPG HTLSWGKGQK DATA SEQUENCE DLLTPCYSXX XKLDSFGPIN PTLNTTYSFL TTFFKEISEV FPDQFIHLGG DATA SEQUENCE DEVEFKCWES NPKIQDFMRQ KGFGTDFKKL ESFYIQKVLD IIATINKGSI DATA SEQUENCE VWQEVFDDKA KLAPGTIVEV WKDSAYPEEL SRVTASGFPV ILSAPWYLDL DATA SEQUENCE ISYGQDWRKY YKVEPLDFGG TQKQKQLFIG GEACLWGEYV DATNLTPRLW DATA SEQUENCE PRASAVGERL WSSKDVRDMD DAYDRLTRHR cRMVERGIAA QPLYAGYcNH DATA SEQUENCE E 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 54 P HA 0.000 nan 4.420 nan 0.000 0.216 54 P C 0.000 177.243 177.300 -0.095 0.000 1.155 54 P CA 0.000 63.008 63.100 -0.153 0.000 0.800 54 P CB 0.000 31.533 31.700 -0.279 0.000 0.726 55 A N 1.234 124.012 122.820 -0.071 0.000 2.316 55 A HA 0.575 4.895 4.320 -0.000 0.000 0.311 55 A C -0.467 177.127 177.584 0.017 0.000 1.339 55 A CA -0.107 51.916 52.037 -0.023 0.000 0.960 55 A CB 0.061 19.045 19.000 -0.026 0.000 1.152 55 A HN 0.089 nan 8.150 nan 0.000 0.547 56 L N 3.347 124.579 121.223 0.015 0.000 2.275 56 L HA 0.516 4.856 4.340 -0.000 0.000 0.288 56 L C -0.391 176.480 176.870 0.002 0.000 1.046 56 L CA -0.290 54.547 54.840 -0.005 0.000 0.805 56 L CB 0.762 42.804 42.059 -0.029 0.000 1.193 56 L HN 0.767 nan 8.230 nan 0.000 0.426 57 W N 6.621 127.746 121.300 -0.292 0.000 3.216 57 W HA 0.345 5.005 4.660 -0.000 0.000 0.335 57 W C -2.834 173.414 176.519 -0.452 0.000 1.077 57 W CA -1.763 55.322 57.345 -0.434 0.000 1.252 57 W CB 2.406 31.375 29.460 -0.818 0.000 1.312 57 W HN 0.323 nan 8.180 nan 0.000 0.446 58 P HA 0.060 nan 4.420 nan 0.000 0.272 58 P C -0.293 176.735 177.300 -0.453 0.000 1.230 58 P CA -0.315 62.333 63.100 -0.752 0.000 0.788 58 P CB 0.839 32.250 31.700 -0.481 0.000 0.949 59 L N 4.693 125.686 121.223 -0.385 0.000 2.462 59 L HA 0.248 4.588 4.340 -0.000 0.000 0.272 59 L C -2.249 174.614 176.870 -0.013 0.000 1.166 59 L CA -1.502 53.241 54.840 -0.161 0.000 0.880 59 L CB -0.380 41.605 42.059 -0.123 0.000 1.142 59 L HN 0.288 nan 8.230 nan 0.000 0.473 60 P HA -0.020 nan 4.420 nan 0.000 0.269 60 P C 0.478 177.834 177.300 0.095 0.000 1.215 60 P CA -0.373 62.807 63.100 0.134 0.000 0.780 60 P CB 0.598 32.358 31.700 0.100 0.000 0.898 61 L N 2.369 123.650 121.223 0.098 0.000 2.013 61 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 61 L C 0.657 177.520 176.870 -0.011 0.000 1.073 61 L CA 2.173 57.016 54.840 0.005 0.000 0.753 61 L CB -0.671 41.354 42.059 -0.057 0.000 0.890 61 L HN 0.348 nan 8.230 nan 0.000 0.432 62 S N -0.986 114.706 115.700 -0.013 0.000 2.707 62 S HA 0.624 5.094 4.470 -0.000 0.000 0.303 62 S C -1.197 173.405 174.600 0.003 0.000 1.132 62 S CA -0.730 57.463 58.200 -0.012 0.000 1.046 62 S CB 1.007 64.192 63.200 -0.025 0.000 1.004 62 S HN -0.017 nan 8.310 nan 0.000 0.483 63 V N 5.962 125.882 119.914 0.009 0.000 2.407 63 V HA 0.523 4.643 4.120 -0.000 0.000 0.291 63 V C -0.490 175.613 176.094 0.015 0.000 1.018 63 V CA -0.694 61.617 62.300 0.018 0.000 0.842 63 V CB 1.661 33.495 31.823 0.018 0.000 0.996 63 V HN 0.815 nan 8.190 nan 0.000 0.426 64 K N 4.859 125.271 120.400 0.019 0.000 2.464 64 K HA 0.586 4.906 4.320 -0.000 0.000 0.252 64 K C -0.740 175.873 176.600 0.021 0.000 1.000 64 K CA -0.500 55.797 56.287 0.017 0.000 0.951 64 K CB 1.682 34.191 32.500 0.016 0.000 1.183 64 K HN 0.571 nan 8.250 nan 0.000 0.445 65 M N 2.174 121.784 119.600 0.017 0.000 2.363 65 M HA 0.258 4.738 4.480 -0.000 0.000 0.343 65 M C -0.097 176.213 176.300 0.016 0.000 1.165 65 M CA -0.028 55.283 55.300 0.017 0.000 1.046 65 M CB 1.509 34.116 32.600 0.012 0.000 1.648 65 M HN 0.623 nan 8.290 nan 0.000 0.452 66 T N 0.518 115.083 114.554 0.018 0.000 2.940 66 T HA 0.736 5.086 4.350 -0.000 0.000 0.288 66 T C -2.433 172.277 174.700 0.017 0.000 1.045 66 T CA -1.441 60.669 62.100 0.016 0.000 1.018 66 T CB 1.584 70.462 68.868 0.016 0.000 1.151 66 T HN 0.624 nan 8.240 nan 0.000 0.529 67 P HA 0.224 nan 4.420 nan 0.000 0.261 67 P C -0.690 176.622 177.300 0.019 0.000 1.352 67 P CA -0.396 62.715 63.100 0.019 0.000 0.891 67 P CB 0.015 31.725 31.700 0.018 0.000 1.383 68 N N 1.345 120.053 118.700 0.013 0.000 2.422 68 N HA 0.189 4.929 4.740 -0.000 0.000 0.264 68 N C 0.116 175.615 175.510 -0.019 0.000 1.063 68 N CA -0.085 52.967 53.050 0.003 0.000 0.959 68 N CB 1.175 39.665 38.487 0.004 0.000 1.087 68 N HN 0.172 nan 8.380 nan 0.000 0.483 69 L N 2.846 124.045 121.223 -0.041 0.000 2.312 69 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 69 L C 0.169 176.879 176.870 -0.267 0.000 1.070 69 L CA -0.521 54.237 54.840 -0.136 0.000 0.805 69 L CB 0.660 42.653 42.059 -0.109 0.000 1.174 69 L HN 0.232 nan 8.230 nan 0.000 0.434 70 L N 2.400 123.398 121.223 -0.375 0.000 2.341 70 L HA 0.557 4.897 4.340 -0.000 0.000 0.267 70 L C -0.911 175.597 176.870 -0.603 0.000 1.009 70 L CA -0.841 53.784 54.840 -0.359 0.000 0.819 70 L CB 2.179 44.160 42.059 -0.129 0.000 1.323 70 L HN 0.561 nan 8.230 nan 0.000 0.425 71 H N 0.836 119.900 119.070 -0.009 0.000 2.771 71 H HA 0.751 5.307 4.556 -0.000 0.000 0.367 71 H C -1.279 174.060 175.328 0.019 0.000 1.172 71 H CA -0.699 55.342 56.048 -0.012 0.000 1.186 71 H CB 2.102 31.867 29.762 0.005 0.000 1.790 71 H HN 0.200 nan 8.280 nan 0.000 0.556 72 L N 0.945 122.268 121.223 0.166 0.000 2.381 72 L HA 0.652 4.992 4.340 -0.000 0.000 0.268 72 L C -0.424 176.516 176.870 0.117 0.000 0.997 72 L CA -0.731 54.164 54.840 0.092 0.000 0.818 72 L CB 1.912 43.900 42.059 -0.118 0.000 1.310 72 L HN 0.750 nan 8.230 nan 0.000 0.416 73 A N 3.326 126.171 122.820 0.042 0.000 2.253 73 A HA 0.719 5.039 4.320 -0.000 0.000 0.316 73 A C -1.935 175.433 177.584 -0.360 0.000 1.327 73 A CA -1.346 50.652 52.037 -0.065 0.000 0.917 73 A CB 0.512 19.511 19.000 -0.002 0.000 1.162 73 A HN 0.642 nan 8.150 nan 0.000 0.535 74 P HA -0.211 nan 4.420 nan 0.000 0.217 74 P C 0.910 177.835 177.300 -0.624 0.000 1.162 74 P CA 1.403 63.751 63.100 -1.253 0.000 0.901 74 P CB 0.345 31.584 31.700 -0.768 0.000 0.793 75 E N -1.868 118.130 120.200 -0.338 0.000 2.489 75 E HA 0.033 4.383 4.350 -0.000 0.000 0.193 75 E C 0.561 177.025 176.600 -0.227 0.000 1.057 75 E CA 0.312 56.572 56.400 -0.234 0.000 0.866 75 E CB -0.756 28.864 29.700 -0.134 0.000 0.916 75 E HN 0.380 nan 8.360 nan 0.000 0.500 76 N N -0.129 118.439 118.700 -0.219 0.000 2.588 76 N HA 0.057 4.797 4.740 -0.000 0.000 0.298 76 N C -1.354 174.110 175.510 -0.077 0.000 1.718 76 N CA -0.101 52.882 53.050 -0.113 0.000 0.888 76 N CB 0.396 38.905 38.487 0.037 0.000 1.389 76 N HN -0.128 nan 8.380 nan 0.000 0.491 77 F N 1.536 121.182 119.950 -0.506 0.000 2.539 77 F HA 0.468 4.995 4.527 -0.000 0.000 0.318 77 F C -1.803 173.753 175.800 -0.407 0.000 1.135 77 F CA -0.554 57.296 58.000 -0.250 0.000 0.915 77 F CB 0.868 39.817 39.000 -0.084 0.000 1.176 77 F HN -0.076 nan 8.300 nan 0.000 0.440 78 Y N 6.032 125.874 120.300 -0.764 0.000 2.425 78 Y HA 0.599 5.149 4.550 -0.000 0.000 0.344 78 Y C -0.414 174.995 175.900 -0.818 0.000 0.969 78 Y CA -1.289 56.471 58.100 -0.566 0.000 1.052 78 Y CB 1.802 40.068 38.460 -0.324 0.000 1.215 78 Y HN 0.366 nan 8.280 nan 0.000 0.451 79 I N 3.384 123.690 120.570 -0.441 0.000 2.307 79 I HA 0.415 4.585 4.170 -0.000 0.000 0.289 79 I C -0.504 175.168 176.117 -0.742 0.000 1.021 79 I CA -0.050 60.838 61.300 -0.687 0.000 1.224 79 I CB 0.667 38.261 38.000 -0.678 0.000 1.376 79 I HN 0.589 nan 8.210 nan 0.000 0.470 80 S N 4.219 119.534 115.700 -0.641 0.000 2.671 80 S HA 0.526 4.996 4.470 -0.000 0.000 0.299 80 S C -0.601 173.816 174.600 -0.306 0.000 1.116 80 S CA -0.856 57.112 58.200 -0.386 0.000 0.912 80 S CB 1.563 64.649 63.200 -0.190 0.000 1.130 80 S HN 0.448 nan 8.310 nan 0.000 0.501 81 H N 1.330 120.451 119.070 0.085 0.000 2.646 81 H HA 0.305 4.861 4.556 -0.000 0.000 0.325 81 H C 0.508 175.838 175.328 0.003 0.000 1.075 81 H CA 0.008 56.116 56.048 0.100 0.000 1.421 81 H CB 1.110 30.936 29.762 0.107 0.000 1.461 81 H HN 0.564 nan 8.280 nan 0.000 0.525 82 S N 4.412 120.176 115.700 0.106 0.000 2.572 82 S HA 0.026 4.496 4.470 -0.000 0.000 0.279 82 S C -1.069 173.559 174.600 0.047 0.000 1.341 82 S CA -1.159 57.064 58.200 0.039 0.000 1.043 82 S CB 0.698 63.911 63.200 0.021 0.000 0.887 82 S HN 0.506 nan 8.310 nan 0.000 0.516 83 P HA -0.044 nan 4.420 nan 0.000 0.222 83 P C -0.418 176.885 177.300 0.004 0.000 1.147 83 P CA 0.743 63.847 63.100 0.008 0.000 0.790 83 P CB -0.111 31.586 31.700 -0.005 0.000 0.780 84 N N 0.534 119.239 118.700 0.008 0.000 2.589 84 N HA 0.285 5.025 4.740 -0.000 0.000 0.232 84 N C -0.444 175.073 175.510 0.013 0.000 1.015 84 N CA 0.253 53.306 53.050 0.006 0.000 0.931 84 N CB 0.877 39.367 38.487 0.005 0.000 1.150 84 N HN -0.010 nan 8.380 nan 0.000 0.512 85 S N -0.334 115.369 115.700 0.005 0.000 2.565 85 S HA 0.216 4.686 4.470 -0.000 0.000 0.274 85 S C 0.634 175.222 174.600 -0.021 0.000 1.144 85 S CA -0.575 57.629 58.200 0.007 0.000 0.849 85 S CB 0.453 63.676 63.200 0.039 0.000 1.103 85 S HN 0.461 nan 8.310 nan 0.000 0.455 86 T N 0.447 114.986 114.554 -0.026 0.000 3.100 86 T HA 0.537 4.887 4.350 -0.000 0.000 0.253 86 T C 0.602 175.253 174.700 -0.082 0.000 1.118 86 T CA 0.532 62.605 62.100 -0.044 0.000 1.058 86 T CB -0.056 68.792 68.868 -0.034 0.000 0.953 86 T HN 0.974 nan 8.240 nan 0.000 0.515 87 A N 0.022 122.783 122.820 -0.099 0.000 2.340 87 A HA 0.885 5.205 4.320 -0.000 0.000 0.331 87 A C 0.321 177.659 177.584 -0.410 0.000 1.140 87 A CA -0.409 51.511 52.037 -0.195 0.000 0.801 87 A CB 1.480 20.401 19.000 -0.131 0.000 1.234 87 A HN 0.549 nan 8.150 nan 0.000 0.469 88 G N -0.287 108.167 108.800 -0.577 0.000 3.086 88 G HA2 0.588 4.548 3.960 -0.000 0.000 0.282 88 G HA3 0.588 4.548 3.960 -0.000 0.000 0.282 88 G C -2.553 171.897 174.900 -0.750 0.000 1.343 88 G CA -1.072 43.557 45.100 -0.785 0.000 0.895 88 G HN 0.297 nan 8.290 nan 0.000 0.557 89 P HA -0.055 nan 4.420 nan 0.000 0.226 89 P C 1.785 179.046 177.300 -0.065 0.000 1.146 89 P CA 1.823 64.909 63.100 -0.022 0.000 0.773 89 P CB 0.223 31.943 31.700 0.032 0.000 0.772 90 S N -2.774 112.854 115.700 -0.120 0.000 2.603 90 S HA -0.024 4.446 4.470 -0.000 0.000 0.220 90 S C 0.931 175.466 174.600 -0.108 0.000 0.967 90 S CA -0.285 57.859 58.200 -0.094 0.000 0.920 90 S CB -1.311 61.837 63.200 -0.087 0.000 0.773 90 S HN 0.180 nan 8.310 nan 0.000 0.529 91 C N 3.609 122.823 119.300 -0.143 0.000 2.158 91 C HA 0.447 4.907 4.460 -0.000 0.000 0.350 91 C C 1.895 176.802 174.990 -0.139 0.000 1.064 91 C CA -0.302 58.627 59.018 -0.149 0.000 1.507 91 C CB -1.769 25.862 27.740 -0.181 0.000 1.934 91 C HN 0.609 nan 8.230 nan 0.000 0.479 92 T N 4.038 118.521 114.554 -0.118 0.000 2.665 92 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 92 T C 1.781 176.396 174.700 -0.142 0.000 1.035 92 T CA 2.144 64.179 62.100 -0.108 0.000 1.151 92 T CB -0.291 68.529 68.868 -0.080 0.000 0.862 92 T HN 0.818 nan 8.240 nan 0.000 0.438 93 L N 0.301 121.431 121.223 -0.155 0.000 2.043 93 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 93 L C 2.258 178.991 176.870 -0.227 0.000 1.075 93 L CA 1.585 56.324 54.840 -0.167 0.000 0.752 93 L CB -0.283 41.663 42.059 -0.188 0.000 0.891 93 L HN 0.283 nan 8.230 nan 0.000 0.432 94 L N -0.875 120.158 121.223 -0.317 0.000 2.131 94 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 94 L C 2.712 179.025 176.870 -0.929 0.000 1.087 94 L CA 0.625 55.106 54.840 -0.597 0.000 0.767 94 L CB -0.621 41.092 42.059 -0.576 0.000 0.917 94 L HN 0.252 nan 8.230 nan 0.000 0.441 95 E N 0.237 120.103 120.200 -0.557 0.000 2.085 95 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 95 E C 2.089 178.574 176.600 -0.192 0.000 0.994 95 E CA 1.072 57.253 56.400 -0.366 0.000 0.801 95 E CB -0.092 29.527 29.700 -0.135 0.000 0.743 95 E HN 0.415 nan 8.360 nan 0.000 0.453 96 E N 0.528 120.637 120.200 -0.151 0.000 2.077 96 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 96 E C 2.007 178.600 176.600 -0.012 0.000 0.989 96 E CA 0.990 57.348 56.400 -0.070 0.000 0.800 96 E CB -0.257 29.398 29.700 -0.075 0.000 0.746 96 E HN 0.212 nan 8.360 nan 0.000 0.452 97 A N 0.726 123.537 122.820 -0.015 0.000 1.933 97 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 97 A C 2.188 180.014 177.584 0.403 0.000 1.175 97 A CA 0.956 53.108 52.037 0.192 0.000 0.628 97 A CB -0.926 18.170 19.000 0.160 0.000 0.814 97 A HN 0.224 nan 8.150 nan 0.000 0.444 98 F N -0.726 119.271 119.950 0.078 0.000 2.069 98 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 98 F C 2.735 178.604 175.800 0.116 0.000 1.113 98 F CA 1.488 59.530 58.000 0.070 0.000 1.214 98 F CB -0.206 38.770 39.000 -0.039 0.000 0.978 98 F HN 0.213 nan 8.300 nan 0.000 0.474 99 R N 0.837 121.487 120.500 0.251 0.000 2.081 99 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 99 R C 2.372 178.714 176.300 0.069 0.000 1.131 99 R CA 1.399 57.575 56.100 0.126 0.000 0.960 99 R CB -0.309 30.014 30.300 0.038 0.000 0.856 99 R HN 0.120 nan 8.270 nan 0.000 0.436 100 R N -0.819 119.688 120.500 0.010 0.000 2.091 100 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 100 R C 1.765 177.874 176.300 -0.320 0.000 1.136 100 R CA 1.936 57.909 56.100 -0.212 0.000 0.959 100 R CB -0.328 29.867 30.300 -0.175 0.000 0.856 100 R HN 0.322 nan 8.270 nan 0.000 0.437 101 Y N -0.907 119.467 120.300 0.124 0.000 2.395 101 Y HA -0.159 4.391 4.550 -0.000 0.000 0.293 101 Y C 2.463 178.457 175.900 0.156 0.000 1.123 101 Y CA 1.394 59.622 58.100 0.213 0.000 1.227 101 Y CB -0.189 38.418 38.460 0.245 0.000 1.012 101 Y HN 0.278 nan 8.280 nan 0.000 0.552 102 H N -0.361 118.831 119.070 0.202 0.000 2.387 102 H HA -0.119 4.437 4.556 -0.000 0.000 0.299 102 H C 2.246 177.661 175.328 0.144 0.000 1.090 102 H CA 1.556 57.746 56.048 0.236 0.000 1.332 102 H CB -0.338 29.544 29.762 0.199 0.000 1.386 102 H HN 0.448 nan 8.280 nan 0.000 0.516 103 G N -0.750 108.131 108.800 0.135 0.000 2.402 103 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 103 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 103 G C 1.581 176.433 174.900 -0.080 0.000 1.162 103 G CA 0.593 45.687 45.100 -0.011 0.000 0.777 103 G HN 0.465 nan 8.290 nan 0.000 0.539 104 Y N 0.399 120.664 120.300 -0.058 0.000 2.224 104 Y HA -0.054 4.496 4.550 -0.000 0.000 0.289 104 Y C 2.748 178.561 175.900 -0.146 0.000 1.146 104 Y CA 0.528 58.552 58.100 -0.126 0.000 1.182 104 Y CB -0.068 38.269 38.460 -0.206 0.000 0.983 104 Y HN 0.132 nan 8.280 nan 0.000 0.524 105 I N -1.560 118.967 120.570 -0.072 0.000 2.286 105 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 105 I C 1.252 176.970 176.117 -0.665 0.000 1.104 105 I CA 1.541 62.576 61.300 -0.442 0.000 1.397 105 I CB -0.218 37.331 38.000 -0.751 0.000 1.072 105 I HN 0.132 nan 8.210 nan 0.000 0.417 106 F N -0.176 119.624 119.950 -0.250 0.000 2.694 106 F HA 0.440 4.967 4.527 -0.000 0.000 0.292 106 F C 1.147 176.927 175.800 -0.034 0.000 1.121 106 F CA 0.394 58.192 58.000 -0.336 0.000 1.352 106 F CB 0.434 39.112 39.000 -0.536 0.000 1.107 106 F HN 0.079 nan 8.300 nan 0.000 0.597 123 Q N 2.225 122.086 119.800 0.102 0.000 2.303 123 Q HA 0.606 4.946 4.340 -0.000 0.000 0.257 123 Q C -0.531 175.546 176.000 0.128 0.000 0.941 123 Q CA -0.449 55.428 55.803 0.123 0.000 0.931 123 Q CB 1.676 30.491 28.738 0.127 0.000 1.215 123 Q HN 0.252 nan 8.270 nan 0.000 0.437 124 V N 6.369 126.374 119.914 0.151 0.000 2.353 124 V HA 0.083 4.203 4.120 -0.000 0.000 0.264 124 V C 0.552 176.858 176.094 0.354 0.000 1.049 124 V CA 0.118 62.549 62.300 0.219 0.000 0.896 124 V CB 0.933 32.895 31.823 0.230 0.000 1.025 124 V HN 1.023 nan 8.190 nan 0.000 0.475 125 Q N 4.375 124.343 119.800 0.280 0.000 2.360 125 Q HA 0.253 4.593 4.340 -0.000 0.000 0.202 125 Q C 0.382 176.493 176.000 0.185 0.000 0.915 125 Q CA 0.042 56.022 55.803 0.295 0.000 0.943 125 Q CB 0.525 29.372 28.738 0.182 0.000 1.064 125 Q HN 0.827 nan 8.270 nan 0.000 0.511 126 Q N 0.290 120.145 119.800 0.092 0.000 2.617 126 Q HA 0.372 4.712 4.340 -0.000 0.000 0.270 126 Q C -2.389 173.478 176.000 -0.221 0.000 0.967 126 Q CA -0.745 54.891 55.803 -0.278 0.000 0.887 126 Q CB 1.703 30.353 28.738 -0.147 0.000 1.516 126 Q HN 0.230 nan 8.270 nan 0.000 0.395 127 L N 4.367 125.304 121.223 -0.477 0.000 2.294 127 L HA 0.538 4.878 4.340 -0.000 0.000 0.283 127 L C -1.796 174.830 176.870 -0.407 0.000 1.015 127 L CA -0.241 54.361 54.840 -0.398 0.000 0.831 127 L CB 1.270 42.961 42.059 -0.614 0.000 1.217 127 L HN 0.717 nan 8.230 nan 0.000 0.420 128 L N 5.683 126.748 121.223 -0.265 0.000 2.292 128 L HA 0.526 4.866 4.340 -0.000 0.000 0.284 128 L C -0.599 176.157 176.870 -0.190 0.000 1.065 128 L CA -0.770 53.942 54.840 -0.212 0.000 0.806 128 L CB 1.725 43.715 42.059 -0.114 0.000 1.175 128 L HN 0.342 nan 8.230 nan 0.000 0.431 129 V N 2.528 122.344 119.914 -0.164 0.000 2.384 129 V HA 0.303 4.423 4.120 -0.000 0.000 0.287 129 V C 0.020 176.148 176.094 0.057 0.000 1.020 129 V CA -0.352 61.916 62.300 -0.054 0.000 0.850 129 V CB 1.571 33.407 31.823 0.023 0.000 0.987 129 V HN 0.763 nan 8.190 nan 0.000 0.436 130 S N 6.065 121.792 115.700 0.043 0.000 2.530 130 S HA 0.638 5.108 4.470 -0.000 0.000 0.322 130 S C -0.714 173.917 174.600 0.052 0.000 1.085 130 S CA -0.651 57.581 58.200 0.053 0.000 1.096 130 S CB 0.488 63.707 63.200 0.031 0.000 0.988 130 S HN 0.480 nan 8.310 nan 0.000 0.466 131 I N 5.625 126.223 120.570 0.047 0.000 2.307 131 I HA 0.225 4.395 4.170 -0.000 0.000 0.289 131 I C 1.507 177.634 176.117 0.016 0.000 1.021 131 I CA -0.207 61.108 61.300 0.023 0.000 1.224 131 I CB 0.379 38.376 38.000 -0.006 0.000 1.376 131 I HN 0.620 nan 8.210 nan 0.000 0.470 132 T N 5.918 120.486 114.554 0.024 0.000 2.701 132 T HA 0.066 4.416 4.350 -0.000 0.000 0.263 132 T C 1.155 175.865 174.700 0.016 0.000 1.040 132 T CA 1.048 63.161 62.100 0.022 0.000 1.147 132 T CB 0.054 68.940 68.868 0.030 0.000 0.865 132 T HN 0.337 nan 8.240 nan 0.000 0.426 133 L N 0.476 121.711 121.223 0.020 0.000 2.440 133 L HA 0.378 4.718 4.340 -0.000 0.000 0.262 133 L C 0.381 177.257 176.870 0.009 0.000 1.072 133 L CA -1.173 53.679 54.840 0.020 0.000 0.798 133 L CB 0.311 42.392 42.059 0.036 0.000 1.307 133 L HN 0.031 nan 8.230 nan 0.000 0.475 134 Q N 0.428 120.236 119.800 0.013 0.000 2.320 134 Q HA -0.080 4.260 4.340 -0.000 0.000 0.311 134 Q C 1.232 177.228 176.000 -0.006 0.000 1.083 134 Q CA 0.393 56.199 55.803 0.005 0.000 1.001 134 Q CB 0.562 29.313 28.738 0.020 0.000 1.074 134 Q HN 0.733 nan 8.270 nan 0.000 0.379 135 S N 2.859 118.533 115.700 -0.044 0.000 2.400 135 S HA -0.240 4.230 4.470 -0.000 0.000 0.232 135 S C 0.431 174.943 174.600 -0.147 0.000 1.025 135 S CA 1.228 59.367 58.200 -0.102 0.000 0.993 135 S CB -0.033 63.090 63.200 -0.128 0.000 0.808 135 S HN 0.861 nan 8.310 nan 0.000 0.478 136 E N -0.686 119.479 120.200 -0.060 0.000 3.070 136 E HA -0.239 4.111 4.350 -0.000 0.000 0.285 136 E C 1.299 177.831 176.600 -0.113 0.000 0.972 136 E CA 0.540 56.950 56.400 0.018 0.000 0.915 136 E CB -2.788 27.048 29.700 0.226 0.000 1.466 136 E HN 0.930 nan 8.360 nan 0.000 0.432 137 C N -0.876 118.310 119.300 -0.190 0.000 2.411 137 C HA -0.137 4.323 4.460 -0.000 0.000 0.279 137 C C 1.603 176.497 174.990 -0.160 0.000 1.288 137 C CA 1.180 60.051 59.018 -0.244 0.000 1.764 137 C CB -0.200 27.418 27.740 -0.203 0.000 1.974 137 C HN 0.266 nan 8.230 nan 0.000 0.498 138 D N 1.432 121.780 120.400 -0.086 0.000 2.340 138 D HA 0.401 5.041 4.640 -0.000 0.000 0.217 138 D C 1.061 177.327 176.300 -0.057 0.000 1.081 138 D CA 0.765 54.719 54.000 -0.077 0.000 0.842 138 D CB 0.338 41.109 40.800 -0.048 0.000 0.934 138 D HN 0.741 nan 8.370 nan 0.000 0.511 139 A N -0.055 122.794 122.820 0.047 0.000 2.239 139 A HA 0.606 4.926 4.320 -0.000 0.000 0.303 139 A C -0.487 177.153 177.584 0.094 0.000 1.114 139 A CA -0.402 51.722 52.037 0.145 0.000 0.871 139 A CB 0.550 19.720 19.000 0.284 0.000 1.201 139 A HN -0.027 nan 8.150 nan 0.000 0.506 140 F N 0.753 120.828 119.950 0.209 0.000 2.421 140 F HA 0.444 4.971 4.527 0.000 0.000 0.337 140 F C -1.586 174.147 175.800 -0.113 0.000 1.105 140 F CA -1.970 56.097 58.000 0.111 0.000 1.049 140 F CB 1.437 40.477 39.000 0.068 0.000 1.139 140 F HN 0.347 nan 8.300 nan 0.000 0.479 141 P HA -0.018 nan 4.420 nan 0.000 0.268 141 P C -1.052 176.069 177.300 -0.298 0.000 1.208 141 P CA -0.034 62.556 63.100 -0.849 0.000 0.777 141 P CB 1.007 32.130 31.700 -0.962 0.000 0.875 142 N N 1.233 119.759 118.700 -0.290 0.000 2.509 142 N HA 0.149 4.889 4.740 -0.000 0.000 0.280 142 N C 0.800 176.284 175.510 -0.043 0.000 1.306 142 N CA -0.616 52.394 53.050 -0.066 0.000 0.782 142 N CB 1.802 40.286 38.487 -0.004 0.000 1.493 142 N HN 0.134 nan 8.380 nan 0.000 0.498 143 I N 1.766 122.379 120.570 0.072 0.000 2.454 143 I HA -0.164 4.006 4.170 -0.000 0.000 0.254 143 I C 1.724 177.872 176.117 0.052 0.000 1.156 143 I CA 1.734 63.076 61.300 0.070 0.000 1.433 143 I CB -0.310 37.765 38.000 0.124 0.000 1.082 143 I HN 0.584 nan 8.210 nan 0.000 0.432 144 S N -1.236 114.498 115.700 0.056 0.000 2.634 144 S HA 0.244 4.714 4.470 -0.000 0.000 0.221 144 S C 0.880 175.507 174.600 0.044 0.000 0.952 144 S CA -0.434 57.800 58.200 0.056 0.000 0.930 144 S CB -0.793 62.450 63.200 0.071 0.000 0.780 144 S HN 0.275 nan 8.310 nan 0.000 0.498 145 S N 3.323 119.015 115.700 -0.013 0.000 2.537 145 S HA 0.110 4.580 4.470 -0.000 0.000 0.286 145 S C -0.133 174.528 174.600 0.103 0.000 1.299 145 S CA -0.181 58.005 58.200 -0.023 0.000 1.067 145 S CB 0.349 63.300 63.200 -0.414 0.000 0.864 145 S HN 0.478 nan 8.310 nan 0.000 0.494 146 D N 2.526 123.060 120.400 0.225 0.000 2.338 146 D HA 0.067 4.707 4.640 -0.000 0.000 0.255 146 D C 0.404 176.882 176.300 0.296 0.000 1.237 146 D CA -0.002 54.123 54.000 0.208 0.000 0.883 146 D CB 0.471 41.383 40.800 0.187 0.000 1.087 146 D HN 0.572 nan 8.370 nan 0.000 0.485 147 E N 1.248 121.595 120.200 0.245 0.000 2.465 147 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 147 E C 0.506 177.334 176.600 0.380 0.000 1.028 147 E CA -0.284 56.331 56.400 0.357 0.000 0.899 147 E CB 0.394 30.323 29.700 0.383 0.000 1.032 147 E HN 0.421 nan 8.360 nan 0.000 0.468 148 S N 0.783 116.618 115.700 0.226 0.000 2.593 148 S HA 0.344 4.814 4.470 -0.000 0.000 0.269 148 S C -0.275 174.480 174.600 0.258 0.000 1.334 148 S CA -0.568 57.723 58.200 0.152 0.000 1.015 148 S CB 0.360 63.575 63.200 0.025 0.000 0.912 148 S HN 0.294 nan 8.310 nan 0.000 0.541 149 Y N -2.578 117.798 120.300 0.128 0.000 2.713 149 Y HA 0.704 5.254 4.550 -0.000 0.000 0.335 149 Y C -1.144 174.805 175.900 0.081 0.000 1.222 149 Y CA -1.133 57.026 58.100 0.098 0.000 1.061 149 Y CB 0.794 39.316 38.460 0.104 0.000 1.314 149 Y HN 0.633 nan 8.280 nan 0.000 0.453 150 T N 3.111 117.804 114.554 0.232 0.000 2.886 150 T HA 0.555 4.905 4.350 -0.000 0.000 0.292 150 T C -1.479 173.371 174.700 0.251 0.000 1.012 150 T CA -0.576 61.607 62.100 0.138 0.000 0.982 150 T CB 1.345 70.252 68.868 0.066 0.000 1.018 150 T HN 0.725 nan 8.240 nan 0.000 0.451 151 L N 4.065 125.431 121.223 0.239 0.000 2.325 151 L HA 0.566 4.906 4.340 -0.000 0.000 0.281 151 L C -1.122 175.833 176.870 0.142 0.000 1.004 151 L CA -0.871 54.097 54.840 0.214 0.000 0.823 151 L CB 1.030 43.261 42.059 0.286 0.000 1.236 151 L HN 0.515 nan 8.230 nan 0.000 0.415 152 L N 5.908 127.197 121.223 0.109 0.000 2.313 152 L HA 0.382 4.722 4.340 -0.000 0.000 0.273 152 L C -0.434 176.500 176.870 0.107 0.000 1.028 152 L CA -0.591 54.302 54.840 0.089 0.000 0.871 152 L CB 1.538 43.633 42.059 0.060 0.000 1.242 152 L HN 0.251 nan 8.230 nan 0.000 0.434 153 V N 4.550 124.542 119.914 0.130 0.000 2.353 153 V HA 0.340 4.460 4.120 -0.000 0.000 0.264 153 V C 0.100 176.255 176.094 0.102 0.000 1.049 153 V CA -0.315 62.081 62.300 0.160 0.000 0.896 153 V CB 0.600 32.524 31.823 0.169 0.000 1.025 153 V HN 0.769 nan 8.190 nan 0.000 0.475 154 K N 3.090 123.549 120.400 0.097 0.000 2.551 154 K HA 0.694 5.014 4.320 -0.000 0.000 0.269 154 K C -0.935 175.709 176.600 0.072 0.000 0.949 154 K CA -1.087 55.241 56.287 0.067 0.000 0.849 154 K CB 2.318 34.849 32.500 0.052 0.000 1.411 154 K HN 0.474 nan 8.250 nan 0.000 0.432 155 E N 1.752 121.986 120.200 0.057 0.000 2.343 155 E HA 0.219 4.569 4.350 -0.000 0.000 0.269 155 E C -1.794 174.837 176.600 0.052 0.000 1.047 155 E CA -1.357 55.080 56.400 0.062 0.000 0.874 155 E CB 0.742 30.470 29.700 0.047 0.000 1.033 155 E HN 0.442 nan 8.360 nan 0.000 0.409 156 P HA 0.038 nan 4.420 nan 0.000 0.222 156 P C -0.366 176.980 177.300 0.077 0.000 1.157 156 P CA 0.199 63.338 63.100 0.065 0.000 0.816 156 P CB 0.453 32.181 31.700 0.046 0.000 0.813 157 V N 0.821 120.768 119.914 0.055 0.000 2.444 157 V HA 0.581 4.701 4.120 -0.000 0.000 0.294 157 V C 0.212 176.331 176.094 0.042 0.000 1.022 157 V CA -1.156 61.167 62.300 0.038 0.000 0.850 157 V CB 1.345 33.167 31.823 -0.002 0.000 0.992 157 V HN 0.123 nan 8.190 nan 0.000 0.426 158 A N 4.721 127.575 122.820 0.056 0.000 2.304 158 A HA 0.833 5.153 4.320 -0.000 0.000 0.271 158 A C -0.494 177.074 177.584 -0.027 0.000 1.091 158 A CA -0.382 51.688 52.037 0.055 0.000 0.812 158 A CB 1.062 20.136 19.000 0.124 0.000 1.056 158 A HN 0.742 nan 8.150 nan 0.000 0.489 159 V N 1.714 121.621 119.914 -0.013 0.000 2.577 159 V HA 0.427 4.547 4.120 -0.000 0.000 0.303 159 V C -1.098 174.983 176.094 -0.022 0.000 1.042 159 V CA -0.440 61.840 62.300 -0.035 0.000 0.872 159 V CB 1.481 33.302 31.823 -0.004 0.000 0.998 159 V HN 0.826 nan 8.190 nan 0.000 0.423 160 L N 5.164 126.352 121.223 -0.058 0.000 2.298 160 L HA 0.675 5.015 4.340 -0.000 0.000 0.284 160 L C -0.494 176.390 176.870 0.023 0.000 1.013 160 L CA -0.114 54.715 54.840 -0.019 0.000 0.824 160 L CB 1.171 43.164 42.059 -0.109 0.000 1.221 160 L HN 0.707 nan 8.230 nan 0.000 0.418 161 K N 4.550 124.997 120.400 0.079 0.000 2.345 161 K HA 0.921 5.241 4.320 -0.000 0.000 0.255 161 K C -1.624 175.051 176.600 0.125 0.000 0.934 161 K CA -0.445 55.890 56.287 0.080 0.000 0.801 161 K CB 1.663 34.200 32.500 0.063 0.000 1.137 161 K HN 0.810 nan 8.250 nan 0.000 0.424 162 A N 3.136 126.019 122.820 0.105 0.000 2.539 162 A HA 0.331 4.651 4.320 -0.000 0.000 0.296 162 A C -0.206 177.429 177.584 0.085 0.000 1.073 162 A CA -0.848 51.267 52.037 0.130 0.000 0.700 162 A CB 1.424 20.515 19.000 0.151 0.000 1.296 162 A HN 0.863 nan 8.150 nan 0.000 0.405 163 N N 0.313 119.069 118.700 0.093 0.000 2.166 163 N HA -0.048 4.692 4.740 -0.000 0.000 0.186 163 N C 0.320 175.863 175.510 0.055 0.000 1.019 163 N CA 1.183 54.276 53.050 0.073 0.000 0.856 163 N CB -0.060 38.478 38.487 0.084 0.000 0.993 163 N HN 0.585 nan 8.380 nan 0.000 0.426 164 R N -0.932 119.602 120.500 0.056 0.000 2.869 164 R HA 0.242 4.582 4.340 -0.000 0.000 0.263 164 R C 1.410 177.602 176.300 -0.180 0.000 1.066 164 R CA -0.490 55.583 56.100 -0.045 0.000 0.960 164 R CB 0.270 30.608 30.300 0.063 0.000 1.221 164 R HN -0.130 nan 8.270 nan 0.000 0.474 165 V N -1.927 117.700 119.914 -0.478 0.000 2.490 165 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 165 V C 1.550 177.388 176.094 -0.426 0.000 1.061 165 V CA 1.310 63.300 62.300 -0.515 0.000 1.064 165 V CB -0.784 30.596 31.823 -0.739 0.000 0.670 165 V HN 0.717 nan 8.190 nan 0.000 0.461 166 W N 1.757 123.103 121.300 0.076 0.000 2.335 166 W HA 0.054 4.715 4.660 0.000 0.000 0.311 166 W C 2.737 179.336 176.519 0.133 0.000 1.213 166 W CA 1.109 58.514 57.345 0.100 0.000 1.274 166 W CB -1.150 28.378 29.460 0.113 0.000 1.148 166 W HN 0.323 nan 8.180 nan 0.000 0.498 167 G N 0.228 109.205 108.800 0.295 0.000 2.422 167 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.218 167 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.218 167 G C 1.652 176.644 174.900 0.154 0.000 1.140 167 G CA 1.119 46.410 45.100 0.319 0.000 0.775 167 G HN 0.320 nan 8.290 nan 0.000 0.545 168 A N 0.717 123.571 122.820 0.057 0.000 1.902 168 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 168 A C 2.412 179.946 177.584 -0.084 0.000 1.181 168 A CA 1.147 53.171 52.037 -0.022 0.000 0.623 168 A CB -0.398 18.605 19.000 0.004 0.000 0.818 168 A HN 0.349 nan 8.150 nan 0.000 0.443 169 L N -0.897 120.313 121.223 -0.021 0.000 2.012 169 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 169 L C 2.885 179.694 176.870 -0.102 0.000 1.073 169 L CA 1.360 56.196 54.840 -0.007 0.000 0.748 169 L CB -0.540 41.587 42.059 0.113 0.000 0.891 169 L HN 0.305 nan 8.230 nan 0.000 0.431 170 R N 0.159 120.619 120.500 -0.067 0.000 2.096 170 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 170 R C 2.259 178.214 176.300 -0.575 0.000 1.127 170 R CA 1.393 57.382 56.100 -0.184 0.000 0.968 170 R CB -1.370 28.975 30.300 0.074 0.000 0.861 170 R HN 0.437 nan 8.270 nan 0.000 0.440 171 G N 1.038 109.311 108.800 -0.878 0.000 2.422 171 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 171 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 171 G C 1.620 176.195 174.900 -0.542 0.000 1.146 171 G CA 0.266 44.664 45.100 -1.170 0.000 0.769 171 G HN 0.192 nan 8.290 nan 0.000 0.547 172 L N -0.018 120.924 121.223 -0.468 0.000 2.093 172 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 172 L C 2.761 179.208 176.870 -0.704 0.000 1.085 172 L CA 1.298 55.815 54.840 -0.538 0.000 0.755 172 L CB -0.238 41.430 42.059 -0.651 0.000 0.904 172 L HN 0.227 nan 8.230 nan 0.000 0.435 173 E N 0.158 119.958 120.200 -0.666 0.000 2.077 173 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 173 E C 2.000 178.512 176.600 -0.147 0.000 0.989 173 E CA 2.063 58.282 56.400 -0.301 0.000 0.800 173 E CB -0.224 29.435 29.700 -0.069 0.000 0.746 173 E HN 0.273 nan 8.360 nan 0.000 0.452 174 T N 0.286 114.726 114.554 -0.190 0.000 2.821 174 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 174 T C 1.468 176.158 174.700 -0.017 0.000 1.046 174 T CA 1.185 63.234 62.100 -0.085 0.000 1.139 174 T CB -0.556 68.295 68.868 -0.029 0.000 0.871 174 T HN 0.258 nan 8.240 nan 0.000 0.454 175 F N 2.754 122.605 119.950 -0.163 0.000 2.095 175 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 175 F C 2.635 178.380 175.800 -0.092 0.000 1.104 175 F CA 1.632 59.567 58.000 -0.107 0.000 1.232 175 F CB -0.567 38.361 39.000 -0.119 0.000 0.987 175 F HN 0.212 nan 8.300 nan 0.000 0.475 176 S N -0.428 115.280 115.700 0.013 0.000 2.419 176 S HA -0.240 4.230 4.470 -0.000 0.000 0.233 176 S C 1.766 176.295 174.600 -0.118 0.000 1.016 176 S CA 1.328 59.508 58.200 -0.034 0.000 0.974 176 S CB -0.745 62.590 63.200 0.225 0.000 0.786 176 S HN 0.687 nan 8.310 nan 0.000 0.492 177 Q N -0.273 119.472 119.800 -0.092 0.000 2.311 177 Q HA 0.172 4.512 4.340 -0.000 0.000 0.203 177 Q C 1.569 177.516 176.000 -0.088 0.000 0.954 177 Q CA 0.460 56.219 55.803 -0.073 0.000 0.885 177 Q CB -0.143 28.576 28.738 -0.033 0.000 0.963 177 Q HN 0.402 nan 8.270 nan 0.000 0.471 178 L N -0.081 121.047 121.223 -0.159 0.000 2.179 178 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 178 L C 0.763 177.555 176.870 -0.130 0.000 1.096 178 L CA 0.827 55.582 54.840 -0.142 0.000 0.779 178 L CB -0.220 41.712 42.059 -0.212 0.000 0.922 178 L HN -0.068 nan 8.230 nan 0.000 0.443 179 V N 0.500 120.218 119.914 -0.327 0.000 2.637 179 V HA 0.133 4.253 4.120 -0.000 0.000 0.296 179 V C -0.144 175.902 176.094 -0.081 0.000 1.046 179 V CA -0.300 61.801 62.300 -0.331 0.000 1.066 179 V CB 0.131 31.651 31.823 -0.505 0.000 0.968 179 V HN 0.373 nan 8.190 nan 0.000 0.483 180 Y N 1.521 121.742 120.300 -0.133 0.000 2.670 180 Y HA 0.699 5.249 4.550 -0.000 0.000 0.334 180 Y C -0.747 175.081 175.900 -0.120 0.000 1.185 180 Y CA -1.436 56.598 58.100 -0.110 0.000 1.053 180 Y CB 1.467 39.861 38.460 -0.111 0.000 1.298 180 Y HN 0.449 nan 8.280 nan 0.000 0.459 181 Q N 2.204 121.966 119.800 -0.064 0.000 2.271 181 Q HA 0.264 4.604 4.340 -0.000 0.000 0.258 181 Q C -0.943 175.061 176.000 0.006 0.000 0.936 181 Q CA -1.000 54.654 55.803 -0.248 0.000 0.909 181 Q CB 1.733 30.226 28.738 -0.410 0.000 1.253 181 Q HN 0.787 nan 8.270 nan 0.000 0.440 182 D N 0.133 120.530 120.400 -0.006 0.000 2.425 182 D HA 0.045 4.685 4.640 -0.000 0.000 0.274 182 D C 0.522 176.848 176.300 0.043 0.000 1.242 182 D CA -0.356 53.721 54.000 0.129 0.000 1.060 182 D CB 0.271 41.174 40.800 0.172 0.000 1.112 182 D HN 0.305 nan 8.370 nan 0.000 0.561 183 S N -1.597 114.132 115.700 0.048 0.000 2.423 183 S HA -0.201 4.269 4.470 -0.000 0.000 0.238 183 S C 1.021 175.404 174.600 -0.361 0.000 1.028 183 S CA 1.176 59.284 58.200 -0.153 0.000 1.000 183 S CB -0.602 62.479 63.200 -0.199 0.000 0.797 183 S HN 0.488 nan 8.310 nan 0.000 0.487 184 Y N 0.124 120.398 120.300 -0.043 0.000 2.555 184 Y HA 0.416 4.966 4.550 -0.000 0.000 0.259 184 Y C 1.673 177.519 175.900 -0.091 0.000 1.179 184 Y CA -0.143 57.922 58.100 -0.058 0.000 1.230 184 Y CB 0.074 38.502 38.460 -0.053 0.000 1.146 184 Y HN 0.263 nan 8.280 nan 0.000 0.526 185 G N -0.270 108.503 108.800 -0.046 0.000 2.199 185 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.254 185 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.254 185 G C 0.330 175.069 174.900 -0.268 0.000 0.982 185 G CA 0.250 45.251 45.100 -0.165 0.000 0.632 185 G HN 0.258 nan 8.290 nan 0.000 0.529 186 T N 1.925 116.399 114.554 -0.133 0.000 2.829 186 T HA 0.383 4.733 4.350 -0.000 0.000 0.293 186 T C 0.397 174.992 174.700 -0.175 0.000 0.970 186 T CA 0.104 62.133 62.100 -0.117 0.000 1.168 186 T CB 0.251 69.062 68.868 -0.094 0.000 0.911 186 T HN 0.212 nan 8.240 nan 0.000 0.535 187 F N 3.052 123.003 119.950 0.001 0.000 2.541 187 F HA 0.231 4.758 4.527 -0.000 0.000 0.378 187 F C 1.433 177.169 175.800 -0.107 0.000 1.068 187 F CA 0.084 58.043 58.000 -0.069 0.000 1.199 187 F CB 0.308 39.330 39.000 0.036 0.000 1.091 187 F HN 0.441 nan 8.300 nan 0.000 0.555 188 T N 5.356 119.754 114.554 -0.261 0.000 2.906 188 T HA 0.694 5.044 4.350 -0.000 0.000 0.295 188 T C -1.108 173.164 174.700 -0.713 0.000 1.061 188 T CA -0.682 61.123 62.100 -0.491 0.000 1.000 188 T CB 2.142 70.621 68.868 -0.648 0.000 1.103 188 T HN 0.499 nan 8.240 nan 0.000 0.486 189 I N 1.852 122.138 120.570 -0.475 0.000 2.722 189 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 189 I C -1.452 174.581 176.117 -0.139 0.000 1.267 189 I CA -0.816 60.309 61.300 -0.292 0.000 1.036 189 I CB 2.021 39.831 38.000 -0.316 0.000 1.281 189 I HN 0.507 nan 8.210 nan 0.000 0.423 190 N N 5.181 123.880 118.700 -0.003 0.000 2.525 190 N HA 0.136 4.876 4.740 -0.000 0.000 0.271 190 N C -0.641 174.869 175.510 0.001 0.000 1.194 190 N CA -0.204 52.853 53.050 0.013 0.000 0.964 190 N CB 0.659 39.179 38.487 0.056 0.000 1.126 190 N HN 0.527 nan 8.380 nan 0.000 0.452 191 E N 0.734 120.936 120.200 0.003 0.000 2.384 191 E HA 0.240 4.590 4.350 -0.000 0.000 0.266 191 E C -0.796 175.822 176.600 0.030 0.000 1.012 191 E CA -0.036 56.376 56.400 0.020 0.000 0.901 191 E CB 0.311 30.020 29.700 0.016 0.000 0.967 191 E HN 0.698 nan 8.360 nan 0.000 0.435 192 S N 2.428 118.155 115.700 0.046 0.000 2.636 192 S HA 0.416 4.886 4.470 -0.000 0.000 0.266 192 S C -1.082 173.555 174.600 0.061 0.000 1.147 192 S CA -1.006 57.222 58.200 0.047 0.000 0.815 192 S CB 1.883 65.109 63.200 0.044 0.000 1.119 192 S HN 0.367 nan 8.310 nan 0.000 0.470 193 T N 1.252 115.839 114.554 0.054 0.000 2.928 193 T HA 0.633 4.983 4.350 -0.000 0.000 0.296 193 T C -1.066 173.668 174.700 0.056 0.000 1.000 193 T CA -0.401 61.734 62.100 0.058 0.000 0.989 193 T CB 0.626 69.519 68.868 0.040 0.000 1.005 193 T HN 0.620 nan 8.240 nan 0.000 0.442 194 I N 3.879 124.495 120.570 0.078 0.000 2.498 194 I HA 0.544 4.714 4.170 -0.000 0.000 0.290 194 I C -0.833 175.292 176.117 0.013 0.000 1.032 194 I CA -0.956 60.384 61.300 0.066 0.000 1.073 194 I CB 2.102 40.186 38.000 0.141 0.000 1.251 194 I HN 0.473 nan 8.210 nan 0.000 0.426 195 I N 4.964 125.499 120.570 -0.059 0.000 2.418 195 I HA 0.433 4.603 4.170 -0.000 0.000 0.287 195 I C -1.117 174.868 176.117 -0.220 0.000 1.008 195 I CA -0.280 60.938 61.300 -0.137 0.000 1.104 195 I CB 1.850 39.805 38.000 -0.076 0.000 1.264 195 I HN 0.467 nan 8.210 nan 0.000 0.438 196 D N 3.906 124.034 120.400 -0.452 0.000 2.661 196 D HA 0.731 5.371 4.640 -0.000 0.000 0.228 196 D C -1.358 174.776 176.300 -0.277 0.000 1.183 196 D CA -0.109 53.673 54.000 -0.364 0.000 0.844 196 D CB 2.363 42.874 40.800 -0.482 0.000 1.555 196 D HN 0.559 nan 8.370 nan 0.000 0.453 197 S N 1.125 116.734 115.700 -0.152 0.000 2.565 197 S HA 0.662 5.132 4.470 -0.000 0.000 0.274 197 S C -3.090 171.007 174.600 -0.838 0.000 1.144 197 S CA -1.176 56.840 58.200 -0.308 0.000 0.849 197 S CB 2.174 65.239 63.200 -0.225 0.000 1.103 197 S HN 0.272 nan 8.310 nan 0.000 0.455 198 P HA 0.336 nan 4.420 nan 0.000 0.278 198 P C 0.259 177.097 177.300 -0.770 0.000 1.238 198 P CA -0.537 61.625 63.100 -1.563 0.000 0.794 198 P CB 1.245 32.163 31.700 -1.304 0.000 0.955 199 R N 1.492 121.580 120.500 -0.686 0.000 2.075 199 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 199 R C -0.027 175.846 176.300 -0.712 0.000 1.126 199 R CA 1.225 56.924 56.100 -0.669 0.000 0.963 199 R CB -0.052 29.814 30.300 -0.724 0.000 0.858 199 R HN 0.413 nan 8.270 nan 0.000 0.435 200 F N -1.215 118.680 119.950 -0.092 0.000 2.551 200 F HA 0.215 4.742 4.527 0.000 0.000 0.316 200 F C 1.073 176.866 175.800 -0.012 0.000 1.089 200 F CA -0.927 57.089 58.000 0.027 0.000 0.915 200 F CB 2.181 41.281 39.000 0.167 0.000 1.186 200 F HN -0.104 nan 8.300 nan 0.000 0.456 201 S N -0.455 115.378 115.700 0.222 0.000 2.501 201 S HA -0.001 4.469 4.470 -0.000 0.000 0.220 201 S C 0.305 174.976 174.600 0.119 0.000 0.997 201 S CA 0.405 58.675 58.200 0.117 0.000 0.919 201 S CB -0.598 62.651 63.200 0.081 0.000 0.778 201 S HN 0.695 nan 8.310 nan 0.000 0.523 202 H N 1.884 121.002 119.070 0.080 0.000 2.641 202 H HA 0.538 5.094 4.556 -0.000 0.000 0.295 202 H C -0.537 174.843 175.328 0.086 0.000 1.070 202 H CA -0.632 55.436 56.048 0.034 0.000 1.257 202 H CB 0.271 29.996 29.762 -0.062 0.000 1.393 202 H HN 0.150 nan 8.280 nan 0.000 0.464 203 R N 4.362 124.832 120.500 -0.049 0.000 2.407 203 R HA 0.360 4.700 4.340 -0.000 0.000 0.298 203 R C -0.467 175.968 176.300 0.225 0.000 1.166 203 R CA -0.682 55.482 56.100 0.108 0.000 1.006 203 R CB 1.662 31.980 30.300 0.030 0.000 1.145 203 R HN 0.661 nan 8.270 nan 0.000 0.538 204 G N 2.142 111.104 108.800 0.269 0.000 2.597 204 G HA2 0.661 4.621 3.960 -0.000 0.000 0.317 204 G HA3 0.661 4.621 3.960 -0.000 0.000 0.317 204 G C -0.676 174.302 174.900 0.130 0.000 1.230 204 G CA -0.476 44.760 45.100 0.228 0.000 0.996 204 G HN 0.244 nan 8.290 nan 0.000 0.490 205 I N 0.654 121.181 120.570 -0.072 0.000 2.499 205 I HA 0.337 4.507 4.170 -0.000 0.000 0.288 205 I C -0.715 175.261 176.117 -0.235 0.000 1.048 205 I CA -0.544 60.579 61.300 -0.295 0.000 1.062 205 I CB 1.589 39.330 38.000 -0.431 0.000 1.238 205 I HN 0.364 nan 8.210 nan 0.000 0.426 206 L N 8.114 129.120 121.223 -0.363 0.000 2.272 206 L HA 0.642 4.982 4.340 -0.000 0.000 0.289 206 L C -0.469 176.073 176.870 -0.547 0.000 1.032 206 L CA -0.439 54.090 54.840 -0.518 0.000 0.810 206 L CB 0.985 42.525 42.059 -0.866 0.000 1.205 206 L HN 0.581 nan 8.230 nan 0.000 0.422 207 I N 0.989 121.310 120.570 -0.414 0.000 2.750 207 I HA 0.598 4.768 4.170 -0.000 0.000 0.308 207 I C -1.279 174.684 176.117 -0.257 0.000 1.016 207 I CA -0.724 60.369 61.300 -0.346 0.000 1.098 207 I CB 1.993 39.812 38.000 -0.301 0.000 1.279 207 I HN 0.478 nan 8.210 nan 0.000 0.454 208 D N 3.121 123.424 120.400 -0.162 0.000 2.471 208 D HA 0.254 4.894 4.640 -0.000 0.000 0.245 208 D C 0.250 176.632 176.300 0.138 0.000 1.116 208 D CA -0.449 53.559 54.000 0.013 0.000 0.853 208 D CB 1.726 42.521 40.800 -0.008 0.000 1.123 208 D HN 0.748 nan 8.370 nan 0.000 0.540 209 T N -0.021 114.679 114.554 0.243 0.000 3.186 209 T HA 0.135 4.485 4.350 -0.000 0.000 0.257 209 T C 1.154 176.046 174.700 0.319 0.000 1.029 209 T CA -0.028 62.263 62.100 0.320 0.000 0.916 209 T CB 0.271 69.456 68.868 0.529 0.000 1.041 209 T HN 0.149 nan 8.240 nan 0.000 0.562 210 S N 0.660 116.501 115.700 0.235 0.000 2.566 210 S HA 0.168 4.638 4.470 -0.000 0.000 0.234 210 S C 1.976 176.664 174.600 0.147 0.000 1.075 210 S CA -0.206 58.081 58.200 0.146 0.000 0.926 210 S CB -0.031 63.238 63.200 0.115 0.000 0.811 210 S HN 0.277 nan 8.310 nan 0.000 0.518 211 R N 0.626 121.224 120.500 0.164 0.000 2.148 211 R HA 0.261 4.601 4.340 -0.000 0.000 0.227 211 R C -0.122 176.124 176.300 -0.090 0.000 1.103 211 R CA 1.017 57.156 56.100 0.066 0.000 0.983 211 R CB -0.375 29.967 30.300 0.069 0.000 0.874 211 R HN 0.537 nan 8.270 nan 0.000 0.451 212 H N -3.077 116.159 119.070 0.276 0.000 3.029 212 H HA 0.199 4.755 4.556 0.000 0.000 0.358 212 H C -1.640 173.906 175.328 0.362 0.000 1.129 212 H CA -0.918 55.308 56.048 0.297 0.000 1.230 212 H CB 1.235 31.089 29.762 0.152 0.000 1.827 212 H HN -0.010 nan 8.280 nan 0.000 0.530 213 Y N 3.132 123.694 120.300 0.437 0.000 2.346 213 Y HA 0.388 4.938 4.550 -0.000 0.000 0.330 213 Y C -1.014 175.085 175.900 0.332 0.000 1.178 213 Y CA -0.265 58.068 58.100 0.389 0.000 1.331 213 Y CB 0.510 39.234 38.460 0.439 0.000 1.253 213 Y HN 0.457 nan 8.280 nan 0.000 0.529 214 L N 8.814 129.860 121.223 -0.294 0.000 2.349 214 L HA 0.429 4.769 4.340 -0.000 0.000 0.278 214 L C -2.371 174.271 176.870 -0.380 0.000 0.996 214 L CA -2.332 52.399 54.840 -0.181 0.000 0.825 214 L CB 1.653 43.663 42.059 -0.081 0.000 1.243 214 L HN 0.576 nan 8.230 nan 0.000 0.412 215 P HA -0.028 nan 4.420 nan 0.000 0.266 215 P C 1.064 178.364 177.300 -0.000 0.000 1.193 215 P CA -0.173 62.943 63.100 0.027 0.000 0.770 215 P CB 0.870 32.627 31.700 0.094 0.000 0.836 216 V N 3.291 123.257 119.914 0.087 0.000 2.380 216 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 216 V C 2.301 178.339 176.094 -0.093 0.000 1.063 216 V CA 2.023 64.336 62.300 0.021 0.000 1.055 216 V CB -0.944 30.933 31.823 0.090 0.000 0.657 216 V HN 0.696 nan 8.190 nan 0.000 0.455 217 K N -0.228 120.134 120.400 -0.063 0.000 2.147 217 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 217 K C 2.043 178.579 176.600 -0.106 0.000 1.049 217 K CA 1.761 57.989 56.287 -0.097 0.000 0.936 217 K CB -0.179 32.292 32.500 -0.048 0.000 0.722 217 K HN 0.477 nan 8.250 nan 0.000 0.446 218 I N 0.667 121.187 120.570 -0.083 0.000 2.617 218 I HA -0.124 4.046 4.170 -0.000 0.000 0.256 218 I C 1.652 177.693 176.117 -0.126 0.000 1.167 218 I CA 0.753 62.006 61.300 -0.078 0.000 1.469 218 I CB 0.160 38.129 38.000 -0.051 0.000 1.098 218 I HN 0.166 nan 8.210 nan 0.000 0.436 219 I N -0.012 120.445 120.570 -0.189 0.000 2.315 219 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 219 I C 2.184 178.155 176.117 -0.243 0.000 1.117 219 I CA 1.190 62.324 61.300 -0.277 0.000 1.404 219 I CB -0.336 37.402 38.000 -0.437 0.000 1.071 219 I HN 0.205 nan 8.210 nan 0.000 0.419 220 L N 0.408 121.464 121.223 -0.278 0.000 2.093 220 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 220 L C 2.543 179.313 176.870 -0.167 0.000 1.085 220 L CA 1.306 55.912 54.840 -0.391 0.000 0.755 220 L CB -0.617 41.002 42.059 -0.734 0.000 0.904 220 L HN 0.161 nan 8.230 nan 0.000 0.435 221 K N -0.067 120.254 120.400 -0.132 0.000 2.057 221 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 221 K C 2.070 178.618 176.600 -0.086 0.000 1.049 221 K CA 1.743 57.986 56.287 -0.074 0.000 0.931 221 K CB -0.076 32.394 32.500 -0.049 0.000 0.714 221 K HN 0.167 nan 8.250 nan 0.000 0.440 222 T N 1.253 115.775 114.554 -0.053 0.000 2.746 222 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 222 T C 1.658 176.336 174.700 -0.038 0.000 1.039 222 T CA 1.195 63.308 62.100 0.023 0.000 1.142 222 T CB -0.146 68.718 68.868 -0.006 0.000 0.866 222 T HN 0.127 nan 8.240 nan 0.000 0.444 223 L N 0.839 122.030 121.223 -0.053 0.000 2.083 223 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 223 L C 2.510 179.301 176.870 -0.132 0.000 1.083 223 L CA 1.121 55.950 54.840 -0.018 0.000 0.752 223 L CB -0.508 41.623 42.059 0.121 0.000 0.899 223 L HN 0.201 nan 8.230 nan 0.000 0.433 224 D N 0.095 120.374 120.400 -0.202 0.000 2.117 224 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 224 D C 2.233 177.804 176.300 -1.215 0.000 0.982 224 D CA 1.510 55.159 54.000 -0.584 0.000 0.828 224 D CB 0.054 40.612 40.800 -0.404 0.000 0.967 224 D HN 0.313 nan 8.370 nan 0.000 0.464 225 A N 0.720 123.011 122.820 -0.881 0.000 1.933 225 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 225 A C 2.276 179.346 177.584 -0.857 0.000 1.175 225 A CA 1.259 52.650 52.037 -1.077 0.000 0.628 225 A CB -0.516 17.591 19.000 -1.489 0.000 0.814 225 A HN 0.148 nan 8.150 nan 0.000 0.444 226 M N -0.612 118.739 119.600 -0.414 0.000 2.086 226 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 226 M C 2.553 178.874 176.300 0.034 0.000 1.067 226 M CA 1.473 56.785 55.300 0.019 0.000 1.116 226 M CB -0.398 32.269 32.600 0.112 0.000 1.348 226 M HN 0.471 nan 8.290 nan 0.000 0.407 227 A N 0.306 123.034 122.820 -0.154 0.000 1.908 227 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 227 A C 1.771 179.399 177.584 0.073 0.000 1.181 227 A CA 1.604 53.612 52.037 -0.048 0.000 0.627 227 A CB -0.996 17.944 19.000 -0.099 0.000 0.818 227 A HN 0.442 nan 8.150 nan 0.000 0.445 228 F N 0.350 120.275 119.950 -0.041 0.000 2.269 228 F HA -0.068 4.459 4.527 0.000 0.000 0.301 228 F C 1.936 177.791 175.800 0.092 0.000 1.082 228 F CA 0.667 58.646 58.000 -0.034 0.000 1.360 228 F CB -0.672 38.216 39.000 -0.186 0.000 1.041 228 F HN 0.288 nan 8.300 nan 0.000 0.512 229 N N 0.036 118.910 118.700 0.291 0.000 2.236 229 N HA -0.006 4.734 4.740 -0.000 0.000 0.196 229 N C 0.281 175.900 175.510 0.181 0.000 1.114 229 N CA 0.122 53.397 53.050 0.375 0.000 0.859 229 N CB 0.287 39.166 38.487 0.653 0.000 0.982 229 N HN 0.194 nan 8.380 nan 0.000 0.493 230 K N 0.045 120.506 120.400 0.101 0.000 3.209 230 K HA -0.177 4.143 4.320 -0.000 0.000 0.289 230 K C -0.641 176.023 176.600 0.107 0.000 1.191 230 K CA 0.503 56.790 56.287 -0.001 0.000 0.851 230 K CB -1.740 30.541 32.500 -0.365 0.000 1.242 230 K HN 0.096 nan 8.250 nan 0.000 0.480 231 F N 1.647 121.689 119.950 0.154 0.000 2.450 231 F HA 0.048 4.575 4.527 -0.000 0.000 0.339 231 F C 1.704 177.570 175.800 0.110 0.000 1.146 231 F CA 0.333 58.424 58.000 0.152 0.000 1.267 231 F CB 0.443 39.538 39.000 0.157 0.000 1.178 231 F HN 0.153 nan 8.300 nan 0.000 0.585 232 N N -0.320 118.528 118.700 0.247 0.000 2.160 232 N HA 0.138 4.878 4.740 -0.000 0.000 0.226 232 N C -1.199 174.337 175.510 0.043 0.000 1.256 232 N CA 0.181 53.311 53.050 0.133 0.000 0.890 232 N CB 0.373 38.921 38.487 0.102 0.000 1.116 232 N HN 0.180 nan 8.380 nan 0.000 0.517 233 V N 1.620 121.556 119.914 0.038 0.000 2.525 233 V HA 0.392 4.512 4.120 -0.000 0.000 0.299 233 V C -1.227 174.879 176.094 0.019 0.000 1.034 233 V CA -0.903 61.367 62.300 -0.049 0.000 0.863 233 V CB 2.108 33.729 31.823 -0.337 0.000 0.999 233 V HN 0.164 nan 8.190 nan 0.000 0.423 234 L N 5.090 126.331 121.223 0.030 0.000 2.264 234 L HA 0.496 4.836 4.340 -0.000 0.000 0.287 234 L C -0.047 176.871 176.870 0.079 0.000 1.039 234 L CA 0.052 54.898 54.840 0.010 0.000 0.829 234 L CB 0.563 42.606 42.059 -0.028 0.000 1.211 234 L HN 0.766 nan 8.230 nan 0.000 0.427 235 H N 5.187 124.226 119.070 -0.051 0.000 2.911 235 H HA 0.098 4.654 4.556 -0.000 0.000 0.273 235 H C -1.139 174.167 175.328 -0.037 0.000 1.157 235 H CA -0.651 55.371 56.048 -0.043 0.000 1.402 235 H CB 0.409 30.127 29.762 -0.073 0.000 1.463 235 H HN 0.731 nan 8.280 nan 0.000 0.475 236 W N 7.260 128.558 121.300 -0.003 0.000 2.318 236 W HA 0.100 4.760 4.660 0.000 0.000 0.362 236 W C -0.679 175.730 176.519 -0.184 0.000 0.978 236 W CA -1.067 56.196 57.345 -0.138 0.000 1.509 236 W CB -0.852 28.490 29.460 -0.198 0.000 1.437 236 W HN 0.702 nan 8.180 nan 0.000 0.361 237 H N 5.545 124.655 119.070 0.068 0.000 3.045 237 H HA 0.078 4.634 4.556 -0.000 0.000 0.254 237 H C 1.523 176.800 175.328 -0.085 0.000 1.747 237 H CA 0.405 56.398 56.048 -0.091 0.000 1.444 237 H CB -0.020 29.604 29.762 -0.230 0.000 1.778 237 H HN 0.596 nan 8.280 nan 0.000 0.544 238 I N 3.361 123.639 120.570 -0.487 0.000 2.439 238 I HA -0.089 4.081 4.170 -0.000 0.000 0.251 238 I C -0.058 175.801 176.117 -0.430 0.000 1.139 238 I CA 0.694 61.639 61.300 -0.591 0.000 1.438 238 I CB 0.356 37.540 38.000 -1.361 0.000 1.085 238 I HN 0.388 nan 8.210 nan 0.000 0.427 239 V N -2.366 117.198 119.914 -0.583 0.000 3.001 239 V HA 0.632 4.752 4.120 -0.000 0.000 0.314 239 V C -0.795 175.238 176.094 -0.102 0.000 1.099 239 V CA -0.765 61.287 62.300 -0.414 0.000 0.989 239 V CB 1.893 33.197 31.823 -0.865 0.000 1.040 239 V HN 0.134 nan 8.190 nan 0.000 0.434 240 D N -0.191 120.274 120.400 0.109 0.000 3.376 240 D HA 0.178 4.818 4.640 -0.000 0.000 0.344 240 D C -0.129 176.338 176.300 0.278 0.000 1.428 240 D CA -0.121 54.053 54.000 0.289 0.000 0.949 240 D CB 1.993 42.999 40.800 0.343 0.000 1.451 240 D HN 0.567 nan 8.370 nan 0.000 0.578 241 D N -0.106 120.446 120.400 0.255 0.000 2.097 241 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 241 D C 1.712 178.070 176.300 0.096 0.000 0.989 241 D CA 1.605 55.703 54.000 0.163 0.000 0.827 241 D CB 0.099 40.959 40.800 0.100 0.000 0.966 241 D HN 0.239 nan 8.370 nan 0.000 0.456 242 Q N 0.135 119.972 119.800 0.061 0.000 2.167 242 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 242 Q C 0.576 176.456 176.000 -0.199 0.000 0.970 242 Q CA 0.505 56.305 55.803 -0.005 0.000 0.855 242 Q CB 0.182 28.951 28.738 0.052 0.000 0.911 242 Q HN 0.259 nan 8.270 nan 0.000 0.438 243 S N -2.067 113.501 115.700 -0.220 0.000 2.567 243 S HA 0.533 5.003 4.470 -0.000 0.000 0.270 243 S C -1.569 172.980 174.600 -0.084 0.000 1.152 243 S CA -1.029 56.956 58.200 -0.359 0.000 0.835 243 S CB 0.405 62.972 63.200 -1.054 0.000 1.115 243 S HN 0.123 nan 8.310 nan 0.000 0.459 244 F N 3.085 122.938 119.950 -0.161 0.000 2.564 244 F HA 0.505 5.032 4.527 0.000 0.000 0.361 244 F C -2.064 173.729 175.800 -0.012 0.000 1.161 244 F CA -2.004 55.943 58.000 -0.088 0.000 1.198 244 F CB 2.120 41.033 39.000 -0.145 0.000 1.424 244 F HN 0.468 nan 8.300 nan 0.000 0.517 245 P HA -0.152 nan 4.420 nan 0.000 0.231 245 P C 0.189 177.664 177.300 0.292 0.000 1.168 245 P CA 0.678 63.895 63.100 0.195 0.000 0.779 245 P CB -0.109 31.759 31.700 0.280 0.000 0.844 246 Y N 2.281 122.664 120.300 0.139 0.000 2.569 246 Y HA 0.054 4.604 4.550 -0.000 0.000 0.332 246 Y C 0.786 176.910 175.900 0.374 0.000 1.120 246 Y CA -0.165 58.073 58.100 0.229 0.000 1.416 246 Y CB 0.192 38.717 38.460 0.107 0.000 1.210 246 Y HN -0.095 nan 8.280 nan 0.000 0.528 247 Q N 5.545 125.091 119.800 -0.423 0.000 2.361 247 Q HA 0.165 4.505 4.340 -0.000 0.000 0.250 247 Q C -0.718 174.872 176.000 -0.683 0.000 1.023 247 Q CA -0.358 55.234 55.803 -0.352 0.000 0.915 247 Q CB 0.642 29.277 28.738 -0.172 0.000 1.238 247 Q HN 0.714 nan 8.270 nan 0.000 0.451 248 S N 4.773 120.289 115.700 -0.307 0.000 2.499 248 S HA 0.223 4.693 4.470 -0.000 0.000 0.279 248 S C 1.205 175.779 174.600 -0.044 0.000 1.219 248 S CA -0.797 57.354 58.200 -0.082 0.000 1.062 248 S CB 0.511 63.922 63.200 0.352 0.000 0.978 248 S HN 0.728 nan 8.310 nan 0.000 0.489 249 I N 4.701 125.230 120.570 -0.068 0.000 2.406 249 I HA -0.067 4.103 4.170 -0.000 0.000 0.249 249 I C 2.661 178.711 176.117 -0.112 0.000 1.122 249 I CA 1.509 62.762 61.300 -0.080 0.000 1.431 249 I CB -1.860 36.091 38.000 -0.081 0.000 1.087 249 I HN 0.857 nan 8.210 nan 0.000 0.424 250 T N -2.093 112.369 114.554 -0.154 0.000 3.023 250 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 250 T C 0.665 174.983 174.700 -0.638 0.000 1.093 250 T CA 0.636 62.497 62.100 -0.399 0.000 1.129 250 T CB -0.420 68.161 68.868 -0.479 0.000 0.899 250 T HN 0.105 nan 8.240 nan 0.000 0.491 251 F N 2.144 122.125 119.950 0.052 0.000 2.660 251 F HA 0.395 4.922 4.527 -0.000 0.000 0.352 251 F C -1.839 173.967 175.800 0.010 0.000 1.257 251 F CA -2.476 55.568 58.000 0.072 0.000 1.200 251 F CB 1.868 40.977 39.000 0.181 0.000 1.473 251 F HN -0.084 nan 8.300 nan 0.000 0.561 252 P HA -0.194 nan 4.420 nan 0.000 0.219 252 P C 1.042 178.353 177.300 0.018 0.000 1.146 252 P CA 1.474 64.593 63.100 0.030 0.000 0.808 252 P CB 0.480 32.179 31.700 -0.002 0.000 0.779 253 E N -0.177 120.043 120.200 0.034 0.000 2.274 253 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 253 E C 2.262 178.803 176.600 -0.098 0.000 0.996 253 E CA 0.369 56.758 56.400 -0.019 0.000 0.840 253 E CB -0.796 28.899 29.700 -0.007 0.000 0.772 253 E HN 0.357 nan 8.360 nan 0.000 0.491 254 L N 1.087 122.214 121.223 -0.160 0.000 1.971 254 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 254 L C 2.603 179.268 176.870 -0.343 0.000 1.072 254 L CA 1.999 56.548 54.840 -0.485 0.000 0.758 254 L CB -0.679 40.869 42.059 -0.850 0.000 0.889 254 L HN 0.179 nan 8.230 nan 0.000 0.433 255 S N -1.083 114.557 115.700 -0.099 0.000 2.395 255 S HA -0.076 4.394 4.470 -0.000 0.000 0.225 255 S C 1.776 176.381 174.600 0.008 0.000 1.027 255 S CA 0.706 58.945 58.200 0.066 0.000 0.965 255 S CB -0.476 62.795 63.200 0.119 0.000 0.812 255 S HN 0.337 nan 8.310 nan 0.000 0.482 256 N N 2.203 120.893 118.700 -0.018 0.000 2.094 256 N HA -0.033 4.707 4.740 -0.000 0.000 0.191 256 N C 1.532 177.029 175.510 -0.022 0.000 1.023 256 N CA 1.332 54.372 53.050 -0.017 0.000 0.857 256 N CB -0.211 38.265 38.487 -0.018 0.000 1.013 256 N HN 0.435 nan 8.380 nan 0.000 0.426 257 K N -0.705 119.668 120.400 -0.045 0.000 2.308 257 K HA 0.199 4.519 4.320 -0.000 0.000 0.197 257 K C 1.712 178.284 176.600 -0.046 0.000 1.049 257 K CA 0.470 56.727 56.287 -0.049 0.000 0.991 257 K CB 0.031 32.488 32.500 -0.071 0.000 0.836 257 K HN 0.185 nan 8.250 nan 0.000 0.500 258 G N 1.568 110.337 108.800 -0.052 0.000 2.939 258 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.210 258 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.210 258 G C 0.608 175.515 174.900 0.012 0.000 1.160 258 G CA 0.044 45.136 45.100 -0.014 0.000 0.770 258 G HN 0.300 nan 8.290 nan 0.000 0.543 259 S N -1.012 114.698 115.700 0.016 0.000 2.632 259 S HA 0.316 4.786 4.470 -0.000 0.000 0.267 259 S C 0.967 175.551 174.600 -0.027 0.000 1.276 259 S CA -0.561 57.630 58.200 -0.014 0.000 0.998 259 S CB 0.847 64.067 63.200 0.033 0.000 0.953 259 S HN 0.113 nan 8.310 nan 0.000 0.547 260 Y N 1.427 121.708 120.300 -0.032 0.000 2.274 260 Y HA 0.078 4.628 4.550 -0.000 0.000 0.290 260 Y C 1.631 177.476 175.900 -0.091 0.000 1.145 260 Y CA 1.000 59.023 58.100 -0.127 0.000 1.203 260 Y CB -0.558 37.694 38.460 -0.346 0.000 0.984 260 Y HN 1.003 nan 8.280 nan 0.000 0.533 261 S N -3.245 112.541 115.700 0.143 0.000 2.643 261 S HA 0.199 4.669 4.470 -0.000 0.000 0.266 261 S C -0.183 174.463 174.600 0.077 0.000 1.130 261 S CA -0.814 57.459 58.200 0.122 0.000 0.817 261 S CB 0.288 63.596 63.200 0.180 0.000 1.107 261 S HN -0.120 nan 8.310 nan 0.000 0.471 262 L N 2.011 123.250 121.223 0.026 0.000 2.362 262 L HA 0.103 4.443 4.340 -0.000 0.000 0.219 262 L C 2.579 179.397 176.870 -0.086 0.000 1.134 262 L CA 1.997 56.823 54.840 -0.024 0.000 0.807 262 L CB -0.645 41.402 42.059 -0.020 0.000 0.927 262 L HN 0.942 nan 8.230 nan 0.000 0.447 263 S N -2.866 112.763 115.700 -0.118 0.000 2.575 263 S HA 0.003 4.473 4.470 -0.000 0.000 0.215 263 S C 0.683 174.886 174.600 -0.662 0.000 0.966 263 S CA -0.080 57.943 58.200 -0.294 0.000 0.911 263 S CB -0.518 62.514 63.200 -0.281 0.000 0.780 263 S HN 0.485 nan 8.310 nan 0.000 0.514 264 H N 1.519 120.287 119.070 -0.503 0.000 2.421 264 H HA 0.587 5.143 4.556 -0.000 0.000 0.241 264 H C -0.150 174.688 175.328 -0.817 0.000 1.428 264 H CA -0.282 55.103 56.048 -1.104 0.000 1.136 264 H CB 0.583 30.000 29.762 -0.574 0.000 1.612 264 H HN 0.379 nan 8.280 nan 0.000 0.537 265 V N -2.623 116.985 119.914 -0.509 0.000 3.040 265 V HA 0.517 4.637 4.120 -0.000 0.000 0.312 265 V C -1.003 175.027 176.094 -0.106 0.000 1.115 265 V CA -1.206 60.993 62.300 -0.169 0.000 0.998 265 V CB 1.999 33.785 31.823 -0.062 0.000 1.042 265 V HN 0.188 nan 8.190 nan 0.000 0.433 266 Y N 1.776 122.255 120.300 0.299 0.000 2.478 266 Y HA 0.562 5.112 4.550 -0.000 0.000 0.329 266 Y C 1.270 177.239 175.900 0.115 0.000 0.967 266 Y CA -0.356 57.910 58.100 0.277 0.000 1.255 266 Y CB 1.561 40.229 38.460 0.346 0.000 1.103 266 Y HN 0.963 nan 8.280 nan 0.000 0.497 267 T N -0.017 114.661 114.554 0.206 0.000 2.726 267 T HA 0.123 4.473 4.350 -0.000 0.000 0.294 267 T C -1.856 172.892 174.700 0.079 0.000 1.013 267 T CA -1.627 60.523 62.100 0.084 0.000 0.996 267 T CB 1.037 69.944 68.868 0.065 0.000 1.016 267 T HN 0.252 nan 8.240 nan 0.000 0.529 268 P HA -0.050 nan 4.420 nan 0.000 0.216 268 P C 1.364 178.688 177.300 0.040 0.000 1.150 268 P CA 0.882 63.984 63.100 0.004 0.000 0.837 268 P CB -0.050 31.635 31.700 -0.025 0.000 0.786 269 N N -1.046 117.686 118.700 0.053 0.000 2.188 269 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 269 N C 1.342 176.914 175.510 0.104 0.000 1.018 269 N CA 1.066 54.155 53.050 0.065 0.000 0.858 269 N CB -0.795 37.725 38.487 0.055 0.000 0.989 269 N HN 0.059 nan 8.380 nan 0.000 0.426 270 D N -0.225 120.265 120.400 0.150 0.000 2.097 270 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 270 D C 1.978 178.419 176.300 0.235 0.000 0.989 270 D CA 0.767 54.898 54.000 0.218 0.000 0.827 270 D CB -0.268 40.750 40.800 0.363 0.000 0.966 270 D HN 0.017 nan 8.370 nan 0.000 0.456 271 V N 1.070 121.129 119.914 0.241 0.000 2.295 271 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 271 V C 2.512 178.685 176.094 0.132 0.000 1.049 271 V CA 1.602 64.040 62.300 0.231 0.000 1.024 271 V CB -0.406 31.473 31.823 0.094 0.000 0.648 271 V HN 0.105 nan 8.190 nan 0.000 0.447 272 R N -0.767 119.776 120.500 0.072 0.000 2.091 272 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 272 R C 2.279 178.651 176.300 0.120 0.000 1.136 272 R CA 2.001 58.142 56.100 0.069 0.000 0.959 272 R CB -0.485 29.849 30.300 0.056 0.000 0.856 272 R HN 0.420 nan 8.270 nan 0.000 0.437 273 M N 0.440 120.111 119.600 0.118 0.000 2.108 273 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 273 M C 1.899 178.277 176.300 0.129 0.000 1.066 273 M CA 1.628 56.997 55.300 0.115 0.000 1.107 273 M CB -0.099 32.547 32.600 0.077 0.000 1.356 273 M HN -0.056 nan 8.290 nan 0.000 0.406 274 V N 0.130 120.114 119.914 0.116 0.000 2.295 274 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 274 V C 2.374 178.576 176.094 0.180 0.000 1.049 274 V CA 2.111 64.460 62.300 0.081 0.000 1.024 274 V CB -0.712 31.118 31.823 0.011 0.000 0.648 274 V HN 0.532 nan 8.190 nan 0.000 0.447 275 I N -0.008 120.694 120.570 0.220 0.000 2.179 275 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 275 I C 2.644 178.952 176.117 0.318 0.000 1.088 275 I CA 1.828 63.287 61.300 0.265 0.000 1.357 275 I CB -0.338 37.782 38.000 0.199 0.000 1.051 275 I HN 0.338 nan 8.210 nan 0.000 0.409 276 E N 0.560 120.928 120.200 0.279 0.000 2.072 276 E HA -0.265 4.085 4.350 -0.000 0.000 0.191 276 E C 2.105 178.828 176.600 0.205 0.000 0.985 276 E CA 1.478 58.020 56.400 0.238 0.000 0.801 276 E CB -0.475 29.334 29.700 0.182 0.000 0.750 276 E HN 0.470 nan 8.360 nan 0.000 0.452 277 Y N 0.217 120.569 120.300 0.086 0.000 2.207 277 Y HA -0.184 4.366 4.550 -0.000 0.000 0.287 277 Y C 2.104 178.042 175.900 0.063 0.000 1.156 277 Y CA 1.921 60.054 58.100 0.054 0.000 1.182 277 Y CB -0.489 37.986 38.460 0.025 0.000 0.979 277 Y HN 0.155 nan 8.280 nan 0.000 0.521 278 A N 0.150 123.117 122.820 0.246 0.000 1.873 278 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 278 A C 2.351 180.028 177.584 0.154 0.000 1.186 278 A CA 1.603 53.745 52.037 0.175 0.000 0.616 278 A CB -0.753 18.357 19.000 0.182 0.000 0.823 278 A HN 0.483 nan 8.150 nan 0.000 0.442 279 R N -0.228 120.389 120.500 0.195 0.000 2.091 279 R HA -0.078 4.262 4.340 -0.000 0.000 0.238 279 R C 1.861 178.256 176.300 0.159 0.000 1.136 279 R CA 1.532 57.746 56.100 0.189 0.000 0.959 279 R CB -0.433 29.926 30.300 0.098 0.000 0.856 279 R HN 0.531 nan 8.270 nan 0.000 0.437 280 L N 0.021 121.278 121.223 0.056 0.000 2.265 280 L HA -0.129 4.211 4.340 -0.000 0.000 0.215 280 L C 1.810 178.695 176.870 0.025 0.000 1.117 280 L CA 1.245 56.082 54.840 -0.006 0.000 0.782 280 L CB -0.121 41.875 42.059 -0.105 0.000 0.914 280 L HN 0.164 nan 8.230 nan 0.000 0.441 281 R N -0.555 119.972 120.500 0.045 0.000 2.468 281 R HA 0.204 4.544 4.340 -0.000 0.000 0.280 281 R C 1.042 177.453 176.300 0.184 0.000 0.963 281 R CA 0.481 56.630 56.100 0.081 0.000 1.083 281 R CB 0.635 30.934 30.300 -0.002 0.000 1.200 281 R HN 0.269 nan 8.270 nan 0.000 0.541 282 G N 1.604 110.579 108.800 0.291 0.000 2.176 282 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 282 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 282 G C 0.004 174.994 174.900 0.151 0.000 1.024 282 G CA 0.007 45.329 45.100 0.369 0.000 0.755 282 G HN 0.269 nan 8.290 nan 0.000 0.507 283 I N 0.104 120.751 120.570 0.127 0.000 2.378 283 I HA 0.425 4.595 4.170 -0.000 0.000 0.291 283 I C 0.804 176.976 176.117 0.092 0.000 0.992 283 I CA -1.011 60.345 61.300 0.094 0.000 1.154 283 I CB 1.385 39.447 38.000 0.103 0.000 1.315 283 I HN 0.009 nan 8.210 nan 0.000 0.448 284 R N 4.540 125.072 120.500 0.053 0.000 2.390 284 R HA 0.468 4.808 4.340 -0.000 0.000 0.291 284 R C -0.911 175.453 176.300 0.106 0.000 1.070 284 R CA -0.587 55.559 56.100 0.076 0.000 1.014 284 R CB 1.239 31.556 30.300 0.028 0.000 1.007 284 R HN 0.340 nan 8.270 nan 0.000 0.466 285 V N 5.155 125.167 119.914 0.163 0.000 2.333 285 V HA 0.152 4.272 4.120 -0.000 0.000 0.274 285 V C -0.538 175.656 176.094 0.167 0.000 1.028 285 V CA -0.671 61.752 62.300 0.206 0.000 0.851 285 V CB 1.103 33.134 31.823 0.346 0.000 1.000 285 V HN 0.462 nan 8.190 nan 0.000 0.456 286 L N 9.697 130.972 121.223 0.088 0.000 2.259 286 L HA 0.631 4.971 4.340 -0.000 0.000 0.288 286 L C -2.241 174.550 176.870 -0.132 0.000 1.051 286 L CA -1.628 53.203 54.840 -0.015 0.000 0.824 286 L CB 1.301 43.336 42.059 -0.040 0.000 1.206 286 L HN 0.363 nan 8.230 nan 0.000 0.429 287 P HA 0.179 nan 4.420 nan 0.000 0.279 287 P C -1.296 175.790 177.300 -0.358 0.000 1.239 287 P CA -0.324 62.411 63.100 -0.609 0.000 0.789 287 P CB 1.218 32.145 31.700 -1.289 0.000 0.933 288 E N 2.644 122.582 120.200 -0.436 0.000 2.185 288 E HA 0.370 4.720 4.350 -0.000 0.000 0.261 288 E C -1.630 174.701 176.600 -0.449 0.000 0.879 288 E CA -0.643 55.603 56.400 -0.256 0.000 0.756 288 E CB 0.644 30.248 29.700 -0.161 0.000 1.152 288 E HN 0.248 nan 8.360 nan 0.000 0.416 289 F N 3.462 123.460 119.950 0.080 0.000 2.366 289 F HA 0.183 4.710 4.527 -0.000 0.000 0.357 289 F C 0.145 176.224 175.800 0.464 0.000 1.107 289 F CA -0.850 57.312 58.000 0.270 0.000 1.208 289 F CB 0.858 40.136 39.000 0.464 0.000 1.464 289 F HN 0.403 nan 8.300 nan 0.000 0.501 290 D N 2.602 123.241 120.400 0.397 0.000 2.434 290 D HA 0.174 4.814 4.640 -0.000 0.000 0.252 290 D C 0.117 176.640 176.300 0.373 0.000 1.185 290 D CA 0.719 54.966 54.000 0.412 0.000 0.886 290 D CB 0.762 41.783 40.800 0.368 0.000 1.148 290 D HN 0.522 nan 8.370 nan 0.000 0.483 291 T N 0.757 115.512 114.554 0.335 0.000 2.843 291 T HA 0.519 4.869 4.350 -0.000 0.000 0.302 291 T C -2.394 172.489 174.700 0.306 0.000 1.232 291 T CA -1.157 61.049 62.100 0.176 0.000 1.009 291 T CB 2.345 71.329 68.868 0.193 0.000 1.254 291 T HN 0.086 nan 8.240 nan 0.000 0.504 292 P HA 0.211 nan 4.420 nan 0.000 0.235 292 P C 0.957 178.147 177.300 -0.185 0.000 1.177 292 P CA 0.344 63.312 63.100 -0.220 0.000 0.785 292 P CB -0.168 31.201 31.700 -0.551 0.000 0.885 293 G N -0.702 108.047 108.800 -0.084 0.000 2.588 293 G HA2 0.134 4.094 3.960 -0.000 0.000 0.281 293 G HA3 0.134 4.094 3.960 -0.000 0.000 0.281 293 G C -0.116 174.784 174.900 0.001 0.000 1.236 293 G CA -0.222 44.794 45.100 -0.140 0.000 0.969 293 G HN 0.260 nan 8.290 nan 0.000 0.504 294 H N -1.490 117.544 119.070 -0.060 0.000 2.741 294 H HA -0.178 4.378 4.556 0.000 0.000 0.305 294 H C 1.174 176.544 175.328 0.069 0.000 1.169 294 H CA 1.386 57.447 56.048 0.022 0.000 1.144 294 H CB -1.805 28.017 29.762 0.099 0.000 1.397 294 H HN 0.664 nan 8.280 nan 0.000 0.409 295 T N -3.213 111.349 114.554 0.014 0.000 3.252 295 T HA 0.208 4.558 4.350 -0.000 0.000 0.286 295 T C 1.639 176.376 174.700 0.061 0.000 1.013 295 T CA -0.034 62.016 62.100 -0.083 0.000 0.914 295 T CB 0.272 68.769 68.868 -0.618 0.000 1.131 295 T HN 0.065 nan 8.240 nan 0.000 0.529 296 L N 3.081 124.353 121.223 0.082 0.000 2.013 296 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 296 L C 2.651 179.583 176.870 0.103 0.000 1.073 296 L CA 2.480 57.353 54.840 0.055 0.000 0.753 296 L CB -0.865 41.216 42.059 0.037 0.000 0.890 296 L HN 0.557 nan 8.230 nan 0.000 0.432 297 S N -2.389 113.439 115.700 0.214 0.000 2.474 297 S HA -0.204 4.266 4.470 -0.000 0.000 0.235 297 S C 1.649 176.374 174.600 0.209 0.000 0.997 297 S CA 0.816 59.128 58.200 0.187 0.000 0.949 297 S CB -1.051 62.266 63.200 0.195 0.000 0.766 297 S HN 0.563 nan 8.310 nan 0.000 0.517 298 W N 2.284 123.576 121.300 -0.014 0.000 2.467 298 W HA 0.320 4.980 4.660 -0.000 0.000 0.275 298 W C 2.625 178.951 176.519 -0.323 0.000 1.239 298 W CA 0.077 57.301 57.345 -0.202 0.000 1.266 298 W CB -1.154 28.220 29.460 -0.142 0.000 1.112 298 W HN 0.421 nan 8.180 nan 0.000 0.576 299 G N 0.718 109.482 108.800 -0.061 0.000 2.432 299 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 299 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 299 G C 1.667 176.407 174.900 -0.266 0.000 1.135 299 G CA 0.795 45.741 45.100 -0.257 0.000 0.767 299 G HN 0.067 nan 8.290 nan 0.000 0.550 300 K N 0.550 120.838 120.400 -0.186 0.000 2.074 300 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 300 K C 2.389 178.892 176.600 -0.161 0.000 1.048 300 K CA 1.499 57.690 56.287 -0.160 0.000 0.926 300 K CB -0.691 31.747 32.500 -0.104 0.000 0.713 300 K HN 0.338 nan 8.250 nan 0.000 0.444 301 G N 0.035 108.723 108.800 -0.186 0.000 3.044 301 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.223 301 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.223 301 G C 0.150 174.940 174.900 -0.184 0.000 1.123 301 G CA -0.097 44.903 45.100 -0.166 0.000 0.765 301 G HN 0.181 nan 8.290 nan 0.000 0.546 302 Q N 1.486 121.120 119.800 -0.276 0.000 2.401 302 Q HA 0.399 4.739 4.340 -0.000 0.000 0.260 302 Q C -0.532 175.265 176.000 -0.339 0.000 1.034 302 Q CA -0.651 54.926 55.803 -0.376 0.000 0.737 302 Q CB 0.676 28.967 28.738 -0.746 0.000 1.227 302 Q HN -0.158 nan 8.270 nan 0.000 0.488 303 K N 2.673 122.935 120.400 -0.229 0.000 2.326 303 K HA 0.132 4.452 4.320 -0.000 0.000 0.275 303 K C -0.264 176.230 176.600 -0.177 0.000 1.018 303 K CA 0.253 56.429 56.287 -0.186 0.000 0.962 303 K CB 0.491 32.927 32.500 -0.107 0.000 0.953 303 K HN 0.765 nan 8.250 nan 0.000 0.475 304 D N 0.357 120.673 120.400 -0.140 0.000 3.079 304 D HA -0.213 4.427 4.640 -0.000 0.000 0.214 304 D C 0.876 177.095 176.300 -0.135 0.000 1.145 304 D CA 0.708 54.657 54.000 -0.085 0.000 0.958 304 D CB -0.880 39.891 40.800 -0.048 0.000 1.117 304 D HN 0.396 nan 8.370 nan 0.000 0.416 305 L N -0.243 120.837 121.223 -0.237 0.000 2.102 305 L HA 0.101 4.441 4.340 -0.000 0.000 0.202 305 L C 0.690 177.445 176.870 -0.192 0.000 1.076 305 L CA 1.185 55.848 54.840 -0.294 0.000 0.761 305 L CB 0.010 41.771 42.059 -0.498 0.000 0.921 305 L HN 0.021 nan 8.230 nan 0.000 0.444 306 L N 0.235 121.358 121.223 -0.165 0.000 2.417 306 L HA 0.212 4.552 4.340 -0.000 0.000 0.268 306 L C 0.345 177.294 176.870 0.132 0.000 1.158 306 L CA 0.344 55.155 54.840 -0.048 0.000 0.819 306 L CB 0.557 42.557 42.059 -0.099 0.000 1.112 306 L HN 0.083 nan 8.230 nan 0.000 0.458 307 T N 4.575 119.229 114.554 0.167 0.000 2.814 307 T HA 0.263 4.613 4.350 -0.000 0.000 0.297 307 T C -2.359 172.420 174.700 0.132 0.000 0.956 307 T CA -0.825 61.388 62.100 0.190 0.000 1.123 307 T CB 0.677 69.726 68.868 0.302 0.000 0.902 307 T HN 0.335 nan 8.240 nan 0.000 0.528 308 P HA 0.291 nan 4.420 nan 0.000 0.282 308 P C -0.503 176.499 177.300 -0.498 0.000 1.262 308 P CA -0.542 62.301 63.100 -0.428 0.000 0.773 308 P CB 0.239 31.720 31.700 -0.364 0.000 0.879 309 C N 3.663 122.594 119.300 -0.614 0.000 2.459 309 C HA 0.483 4.943 4.460 -0.000 0.000 0.374 309 C C 0.289 174.902 174.990 -0.628 0.000 1.241 309 C CA 0.030 58.803 59.018 -0.409 0.000 2.352 309 C CB -0.677 26.890 27.740 -0.288 0.000 2.490 309 C HN 0.551 nan 8.230 nan 0.000 0.583 310 Y N -0.296 119.951 120.300 -0.089 0.000 2.805 310 Y HA 0.668 5.218 4.550 0.000 0.000 0.323 310 Y C 0.482 176.352 175.900 -0.050 0.000 1.279 310 Y CA -0.375 57.684 58.100 -0.069 0.000 1.103 310 Y CB 1.603 40.037 38.460 -0.044 0.000 1.324 310 Y HN 0.762 nan 8.280 nan 0.000 0.498 316 L N 2.251 123.309 121.223 -0.274 0.000 3.355 316 L HA 0.089 4.429 4.340 -0.000 0.000 0.251 316 L C -1.430 175.230 176.870 -0.349 0.000 0.980 316 L CA -0.490 54.197 54.840 -0.254 0.000 1.051 316 L CB 1.776 43.668 42.059 -0.278 0.000 1.710 316 L HN 0.990 nan 8.230 nan 0.000 0.469 317 D N 0.522 120.797 120.400 -0.209 0.000 2.663 317 D HA 0.036 4.676 4.640 -0.000 0.000 0.243 317 D C 0.309 176.505 176.300 -0.174 0.000 1.218 317 D CA 0.104 54.018 54.000 -0.144 0.000 0.846 317 D CB 0.662 41.468 40.800 0.010 0.000 1.014 317 D HN 0.233 nan 8.370 nan 0.000 0.476 318 S N -0.189 115.245 115.700 -0.443 0.000 2.509 318 S HA 0.637 5.107 4.470 -0.000 0.000 0.297 318 S C -1.200 172.981 174.600 -0.698 0.000 1.118 318 S CA -0.663 57.331 58.200 -0.344 0.000 1.074 318 S CB 0.543 63.593 63.200 -0.251 0.000 1.038 318 S HN 0.114 nan 8.310 nan 0.000 0.498 319 F N 1.485 121.362 119.950 -0.121 0.000 2.576 319 F HA 0.711 5.238 4.527 0.000 0.000 0.313 319 F C 0.903 176.627 175.800 -0.126 0.000 1.078 319 F CA -0.551 57.377 58.000 -0.121 0.000 0.921 319 F CB 2.057 40.994 39.000 -0.105 0.000 1.232 319 F HN 0.742 nan 8.300 nan 0.000 0.459 320 G N 0.378 109.206 108.800 0.045 0.000 3.135 320 G HA2 0.650 4.610 3.960 -0.000 0.000 0.159 320 G HA3 0.650 4.610 3.960 -0.000 0.000 0.159 320 G C -2.820 172.024 174.900 -0.095 0.000 1.244 320 G CA -1.489 43.563 45.100 -0.080 0.000 0.965 320 G HN 0.332 nan 8.290 nan 0.000 0.599 321 P HA 0.175 nan 4.420 nan 0.000 0.272 321 P C 0.075 177.357 177.300 -0.029 0.000 1.254 321 P CA -0.230 62.745 63.100 -0.209 0.000 0.795 321 P CB 0.896 32.336 31.700 -0.434 0.000 1.022 322 I N 1.108 121.601 120.570 -0.128 0.000 2.752 322 I HA -0.100 4.069 4.170 -0.000 0.000 0.289 322 I C 1.447 177.571 176.117 0.012 0.000 1.197 322 I CA 0.391 61.600 61.300 -0.151 0.000 1.432 322 I CB -0.356 37.451 38.000 -0.322 0.000 1.359 322 I HN 0.316 nan 8.210 nan 0.000 0.571 323 N N 9.716 128.404 118.700 -0.019 0.000 2.406 323 N HA 0.063 4.803 4.740 -0.000 0.000 0.265 323 N C -1.603 173.813 175.510 -0.156 0.000 1.203 323 N CA -1.621 51.403 53.050 -0.044 0.000 0.945 323 N CB 0.852 39.311 38.487 -0.047 0.000 1.165 323 N HN 0.332 nan 8.380 nan 0.000 0.485 324 P HA 0.015 nan 4.420 nan 0.000 0.245 324 P C 0.631 177.924 177.300 -0.013 0.000 1.212 324 P CA 0.625 63.729 63.100 0.006 0.000 0.774 324 P CB 0.066 31.804 31.700 0.062 0.000 0.999 325 T N -3.458 110.880 114.554 -0.359 0.000 3.069 325 T HA 0.231 4.581 4.350 -0.000 0.000 0.252 325 T C 0.630 175.222 174.700 -0.181 0.000 1.053 325 T CA -0.131 61.546 62.100 -0.706 0.000 0.964 325 T CB -0.389 67.880 68.868 -0.998 0.000 1.005 325 T HN -0.050 nan 8.240 nan 0.000 0.532 326 L N 2.561 123.769 121.223 -0.025 0.000 2.325 326 L HA 0.495 4.835 4.340 -0.000 0.000 0.278 326 L C 1.362 178.347 176.870 0.191 0.000 1.023 326 L CA -0.967 53.910 54.840 0.061 0.000 0.811 326 L CB 1.468 43.527 42.059 -0.001 0.000 1.249 326 L HN 0.240 nan 8.230 nan 0.000 0.431 327 N N -0.652 118.179 118.700 0.218 0.000 2.494 327 N HA -0.144 4.596 4.740 -0.000 0.000 0.182 327 N C 1.136 176.774 175.510 0.212 0.000 1.076 327 N CA 0.980 54.202 53.050 0.287 0.000 0.908 327 N CB -0.058 38.560 38.487 0.219 0.000 0.967 327 N HN 0.809 nan 8.380 nan 0.000 0.449 328 T N -2.299 112.330 114.554 0.126 0.000 2.867 328 T HA -0.069 4.281 4.350 -0.000 0.000 0.268 328 T C 1.945 176.693 174.700 0.081 0.000 1.057 328 T CA 1.348 63.508 62.100 0.100 0.000 1.136 328 T CB -0.584 68.311 68.868 0.045 0.000 0.874 328 T HN 0.067 nan 8.240 nan 0.000 0.466 329 T N 1.131 115.674 114.554 -0.019 0.000 2.737 329 T HA -0.017 4.333 4.350 -0.000 0.000 0.265 329 T C 1.503 176.165 174.700 -0.064 0.000 1.038 329 T CA 1.347 63.367 62.100 -0.133 0.000 1.144 329 T CB -0.519 68.117 68.868 -0.387 0.000 0.866 329 T HN 0.502 nan 8.240 nan 0.000 0.434 330 Y N 0.987 121.403 120.300 0.193 0.000 2.314 330 Y HA 0.018 4.568 4.550 -0.000 0.000 0.293 330 Y C 2.948 178.952 175.900 0.173 0.000 1.129 330 Y CA 0.581 58.782 58.100 0.168 0.000 1.201 330 Y CB -0.742 37.784 38.460 0.110 0.000 0.999 330 Y HN 0.170 nan 8.280 nan 0.000 0.541 331 S N -0.038 115.840 115.700 0.297 0.000 2.356 331 S HA -0.238 4.232 4.470 -0.000 0.000 0.223 331 S C 2.048 176.812 174.600 0.274 0.000 1.032 331 S CA 1.331 59.683 58.200 0.252 0.000 1.005 331 S CB -0.726 62.608 63.200 0.223 0.000 0.867 331 S HN 0.467 nan 8.310 nan 0.000 0.449 332 F N 2.080 122.097 119.950 0.111 0.000 2.075 332 F HA -0.017 4.510 4.527 0.000 0.000 0.297 332 F C 1.856 177.710 175.800 0.089 0.000 1.113 332 F CA 1.690 59.711 58.000 0.035 0.000 1.218 332 F CB -0.435 38.461 39.000 -0.173 0.000 0.984 332 F HN 0.199 nan 8.300 nan 0.000 0.472 333 L N -0.156 121.090 121.223 0.038 0.000 2.131 333 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 333 L C 2.355 179.334 176.870 0.182 0.000 1.092 333 L CA 1.670 56.533 54.840 0.038 0.000 0.759 333 L CB -1.207 41.051 42.059 0.332 0.000 0.903 333 L HN 0.225 nan 8.230 nan 0.000 0.435 334 T N -1.151 113.525 114.554 0.203 0.000 2.708 334 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 334 T C 1.920 176.708 174.700 0.147 0.000 1.037 334 T CA 1.999 64.217 62.100 0.196 0.000 1.146 334 T CB -0.247 68.725 68.868 0.172 0.000 0.865 334 T HN 0.352 nan 8.240 nan 0.000 0.435 335 T N 1.704 116.345 114.554 0.146 0.000 2.777 335 T HA 0.001 4.351 4.350 -0.000 0.000 0.266 335 T C 1.560 176.333 174.700 0.120 0.000 1.040 335 T CA 0.836 63.027 62.100 0.152 0.000 1.141 335 T CB -0.492 68.541 68.868 0.276 0.000 0.868 335 T HN 0.313 nan 8.240 nan 0.000 0.444 336 F N 1.362 121.243 119.950 -0.116 0.000 2.069 336 F HA -0.074 4.453 4.527 0.000 0.000 0.298 336 F C 1.702 177.301 175.800 -0.335 0.000 1.113 336 F CA 1.205 59.003 58.000 -0.336 0.000 1.214 336 F CB -0.519 37.907 39.000 -0.956 0.000 0.978 336 F HN 0.073 nan 8.300 nan 0.000 0.474 337 F N 0.658 120.545 119.950 -0.105 0.000 2.365 337 F HA -0.075 4.452 4.527 -0.000 0.000 0.300 337 F C 2.270 177.965 175.800 -0.174 0.000 1.090 337 F CA 1.290 59.185 58.000 -0.175 0.000 1.408 337 F CB -0.903 38.098 39.000 0.002 0.000 1.060 337 F HN -0.054 nan 8.300 nan 0.000 0.534 338 K N 1.066 121.484 120.400 0.029 0.000 2.026 338 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 338 K C 2.048 178.607 176.600 -0.068 0.000 1.048 338 K CA 1.810 58.097 56.287 -0.000 0.000 0.929 338 K CB -0.481 32.023 32.500 0.006 0.000 0.713 338 K HN 0.351 nan 8.250 nan 0.000 0.439 339 E N -0.142 119.966 120.200 -0.152 0.000 2.058 339 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 339 E C 1.812 178.306 176.600 -0.177 0.000 0.997 339 E CA 1.394 57.687 56.400 -0.178 0.000 0.801 339 E CB -0.050 29.507 29.700 -0.238 0.000 0.746 339 E HN 0.233 nan 8.360 nan 0.000 0.450 340 I N 1.777 122.165 120.570 -0.303 0.000 2.208 340 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 340 I C 2.720 178.878 176.117 0.069 0.000 1.097 340 I CA 1.673 62.888 61.300 -0.142 0.000 1.363 340 I CB -1.643 36.196 38.000 -0.268 0.000 1.051 340 I HN 0.229 nan 8.210 nan 0.000 0.413 341 S N 0.034 115.745 115.700 0.019 0.000 2.474 341 S HA -0.117 4.353 4.470 -0.000 0.000 0.235 341 S C 1.627 176.222 174.600 -0.007 0.000 0.997 341 S CA 0.845 59.058 58.200 0.022 0.000 0.949 341 S CB -0.340 62.862 63.200 0.002 0.000 0.766 341 S HN 0.567 nan 8.310 nan 0.000 0.517 342 E N 0.238 120.421 120.200 -0.029 0.000 2.340 342 E HA 0.139 4.489 4.350 -0.000 0.000 0.194 342 E C 1.722 178.274 176.600 -0.081 0.000 0.996 342 E CA 0.403 56.772 56.400 -0.050 0.000 0.869 342 E CB 0.187 29.856 29.700 -0.052 0.000 0.835 342 E HN 0.380 nan 8.360 nan 0.000 0.493 343 V N 0.497 120.355 119.914 -0.093 0.000 2.599 343 V HA -0.018 4.102 4.120 -0.000 0.000 0.245 343 V C 0.293 176.129 176.094 -0.429 0.000 1.046 343 V CA 0.955 63.109 62.300 -0.244 0.000 1.065 343 V CB -0.008 31.655 31.823 -0.267 0.000 0.703 343 V HN 0.067 nan 8.190 nan 0.000 0.464 344 F N 1.445 121.349 119.950 -0.077 0.000 2.411 344 F HA 0.426 4.953 4.527 -0.000 0.000 0.352 344 F C -1.274 174.421 175.800 -0.175 0.000 1.123 344 F CA -2.226 55.717 58.000 -0.095 0.000 1.044 344 F CB 1.205 40.183 39.000 -0.036 0.000 1.135 344 F HN -0.033 nan 8.300 nan 0.000 0.461 345 P HA -0.084 nan 4.420 nan 0.000 0.236 345 P C 0.030 177.215 177.300 -0.191 0.000 1.177 345 P CA 0.475 63.353 63.100 -0.370 0.000 0.773 345 P CB 0.148 31.182 31.700 -1.111 0.000 0.878 346 D N 0.358 120.723 120.400 -0.059 0.000 2.449 346 D HA -0.090 4.550 4.640 -0.000 0.000 0.236 346 D C 1.575 177.873 176.300 -0.004 0.000 1.149 346 D CA 0.177 54.191 54.000 0.023 0.000 0.878 346 D CB 0.658 41.518 40.800 0.099 0.000 1.198 346 D HN -0.042 nan 8.370 nan 0.000 0.446 347 Q N 2.014 121.799 119.800 -0.025 0.000 2.291 347 Q HA -0.094 4.246 4.340 -0.000 0.000 0.206 347 Q C -0.451 175.288 176.000 -0.434 0.000 0.976 347 Q CA 1.019 56.682 55.803 -0.234 0.000 0.875 347 Q CB 0.082 28.630 28.738 -0.317 0.000 0.927 347 Q HN 0.462 nan 8.270 nan 0.000 0.450 348 F N 0.049 119.976 119.950 -0.038 0.000 2.522 348 F HA 0.521 5.048 4.527 -0.000 0.000 0.324 348 F C -0.346 175.404 175.800 -0.084 0.000 1.077 348 F CA -1.044 56.914 58.000 -0.069 0.000 0.944 348 F CB 1.523 40.476 39.000 -0.078 0.000 1.175 348 F HN -0.145 nan 8.300 nan 0.000 0.468 349 I N 2.503 123.119 120.570 0.078 0.000 2.436 349 I HA 0.211 4.381 4.170 -0.000 0.000 0.289 349 I C -0.677 175.436 176.117 -0.007 0.000 1.010 349 I CA -0.746 60.562 61.300 0.013 0.000 1.098 349 I CB 1.530 39.517 38.000 -0.021 0.000 1.266 349 I HN 0.523 nan 8.210 nan 0.000 0.434 350 H N 7.068 126.058 119.070 -0.134 0.000 2.668 350 H HA 0.292 4.848 4.556 -0.000 0.000 0.303 350 H C 0.270 175.552 175.328 -0.077 0.000 1.074 350 H CA 0.147 56.066 56.048 -0.215 0.000 1.406 350 H CB 1.450 30.955 29.762 -0.429 0.000 1.442 350 H HN 0.592 nan 8.280 nan 0.000 0.482 351 L N 4.399 125.665 121.223 0.071 0.000 2.592 351 L HA 0.120 4.460 4.340 -0.000 0.000 0.227 351 L C 1.765 178.835 176.870 0.334 0.000 1.127 351 L CA 0.490 55.436 54.840 0.176 0.000 0.884 351 L CB -0.147 41.929 42.059 0.028 0.000 1.065 351 L HN 0.949 nan 8.230 nan 0.000 0.457 352 G N 0.912 109.976 108.800 0.439 0.000 2.543 352 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.286 352 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.286 352 G C 0.808 176.075 174.900 0.611 0.000 1.153 352 G CA 0.068 45.510 45.100 0.570 0.000 0.968 352 G HN 0.807 nan 8.290 nan 0.000 0.544 353 G N -0.558 108.582 108.800 0.566 0.000 2.144 353 G HA2 0.078 4.038 3.960 -0.000 0.000 0.218 353 G HA3 0.078 4.038 3.960 -0.000 0.000 0.218 353 G C 0.085 175.253 174.900 0.446 0.000 0.988 353 G CA 1.228 46.605 45.100 0.462 0.000 0.659 353 G HN 2.033 nan 8.290 nan 0.000 0.522 354 D N 0.482 121.155 120.400 0.454 0.000 2.283 354 D HA 0.400 5.040 4.640 -0.000 0.000 0.248 354 D C 0.650 177.049 176.300 0.165 0.000 1.072 354 D CA -0.070 54.084 54.000 0.255 0.000 0.929 354 D CB 0.407 41.068 40.800 -0.231 0.000 1.182 354 D HN 0.503 nan 8.370 nan 0.000 0.433 355 E N -0.901 119.366 120.200 0.111 0.000 2.202 355 E HA -0.162 4.188 4.350 -0.000 0.000 0.214 355 E C -0.461 176.023 176.600 -0.194 0.000 1.303 355 E CA 0.035 56.412 56.400 -0.038 0.000 0.714 355 E CB -1.375 28.300 29.700 -0.042 0.000 1.130 355 E HN 0.265 nan 8.360 nan 0.000 0.356 356 V N 1.488 121.273 119.914 -0.214 0.000 2.521 356 V HA -0.016 4.104 4.120 -0.000 0.000 0.286 356 V C 0.903 176.614 176.094 -0.639 0.000 1.034 356 V CA 0.529 62.608 62.300 -0.369 0.000 1.045 356 V CB 0.894 32.573 31.823 -0.240 0.000 0.974 356 V HN 0.202 nan 8.190 nan 0.000 0.480 357 E N 4.759 124.611 120.200 -0.580 0.000 2.081 357 E HA 0.261 4.611 4.350 -0.000 0.000 0.281 357 E C 0.188 176.484 176.600 -0.506 0.000 0.986 357 E CA -0.170 55.907 56.400 -0.540 0.000 0.796 357 E CB 0.710 30.184 29.700 -0.376 0.000 1.085 357 E HN 0.658 nan 8.360 nan 0.000 0.398 358 F N 1.963 121.675 119.950 -0.397 0.000 2.546 358 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 358 F C 2.273 177.814 175.800 -0.432 0.000 1.120 358 F CA -0.063 57.675 58.000 -0.436 0.000 1.456 358 F CB 0.044 38.883 39.000 -0.268 0.000 1.088 358 F HN 0.358 nan 8.300 nan 0.000 0.572 359 K N 0.884 121.197 120.400 -0.145 0.000 2.015 359 K HA -0.269 4.051 4.320 -0.000 0.000 0.216 359 K C 2.253 178.788 176.600 -0.109 0.000 1.052 359 K CA 1.878 58.089 56.287 -0.127 0.000 0.937 359 K CB -1.132 31.298 32.500 -0.116 0.000 0.719 359 K HN 0.343 nan 8.250 nan 0.000 0.446 360 C N -0.406 118.821 119.300 -0.122 0.000 2.413 360 C HA -0.121 4.339 4.460 -0.000 0.000 0.277 360 C C 2.271 177.324 174.990 0.105 0.000 1.265 360 C CA 0.694 59.683 59.018 -0.048 0.000 1.752 360 C CB -1.372 26.309 27.740 -0.098 0.000 1.998 360 C HN 0.630 nan 8.230 nan 0.000 0.489 361 W N 1.045 122.269 121.300 -0.126 0.000 2.354 361 W HA -0.005 4.655 4.660 -0.000 0.000 0.315 361 W C 2.627 179.075 176.519 -0.118 0.000 1.206 361 W CA 1.459 58.745 57.345 -0.099 0.000 1.290 361 W CB -1.442 27.935 29.460 -0.138 0.000 1.152 361 W HN 0.498 nan 8.180 nan 0.000 0.489 362 E N 0.386 120.473 120.200 -0.189 0.000 2.153 362 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 362 E C 2.024 178.692 176.600 0.113 0.000 0.988 362 E CA 1.921 58.267 56.400 -0.091 0.000 0.811 362 E CB -0.201 29.337 29.700 -0.270 0.000 0.746 362 E HN 0.177 nan 8.360 nan 0.000 0.466 363 S N 0.110 115.862 115.700 0.087 0.000 2.603 363 S HA -0.022 4.448 4.470 -0.000 0.000 0.220 363 S C 0.697 175.417 174.600 0.200 0.000 0.967 363 S CA -0.274 57.999 58.200 0.123 0.000 0.920 363 S CB -0.080 63.178 63.200 0.097 0.000 0.773 363 S HN 0.101 nan 8.310 nan 0.000 0.529 364 N N 2.258 121.091 118.700 0.221 0.000 2.426 364 N HA 0.305 5.045 4.740 -0.000 0.000 0.257 364 N C -2.258 173.325 175.510 0.122 0.000 1.002 364 N CA -1.924 51.276 53.050 0.250 0.000 0.942 364 N CB 1.826 40.475 38.487 0.270 0.000 1.112 364 N HN -0.031 nan 8.380 nan 0.000 0.499 365 P HA -0.127 nan 4.420 nan 0.000 0.215 365 P C 0.864 178.172 177.300 0.013 0.000 1.157 365 P CA 1.656 64.737 63.100 -0.032 0.000 0.874 365 P CB 0.415 32.028 31.700 -0.145 0.000 0.790 366 K N -1.185 119.227 120.400 0.021 0.000 2.097 366 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 366 K C 1.929 178.571 176.600 0.071 0.000 1.050 366 K CA 1.164 57.477 56.287 0.042 0.000 0.938 366 K CB -0.628 31.898 32.500 0.042 0.000 0.718 366 K HN 0.073 nan 8.250 nan 0.000 0.442 367 I N 1.630 122.247 120.570 0.079 0.000 2.252 367 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 367 I C 2.418 178.624 176.117 0.150 0.000 1.102 367 I CA 1.368 62.717 61.300 0.082 0.000 1.385 367 I CB -0.365 37.683 38.000 0.079 0.000 1.064 367 I HN 0.122 nan 8.210 nan 0.000 0.414 368 Q N 0.268 120.157 119.800 0.148 0.000 2.096 368 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 368 Q C 1.866 177.894 176.000 0.046 0.000 0.982 368 Q CA 1.588 57.462 55.803 0.117 0.000 0.850 368 Q CB -0.477 28.326 28.738 0.109 0.000 0.901 368 Q HN 0.505 nan 8.270 nan 0.000 0.422 369 D N -0.085 120.341 120.400 0.044 0.000 2.123 369 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 369 D C 1.651 177.942 176.300 -0.014 0.000 0.992 369 D CA 0.694 54.698 54.000 0.006 0.000 0.833 369 D CB -0.456 40.354 40.800 0.017 0.000 0.954 369 D HN 0.165 nan 8.370 nan 0.000 0.455 370 F N 0.918 120.792 119.950 -0.127 0.000 2.134 370 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 370 F C 2.271 177.887 175.800 -0.306 0.000 1.097 370 F CA 1.132 59.010 58.000 -0.204 0.000 1.264 370 F CB -0.064 38.828 39.000 -0.179 0.000 1.001 370 F HN -0.173 nan 8.300 nan 0.000 0.479 371 M N 0.027 119.594 119.600 -0.054 0.000 2.080 371 M HA -0.242 4.238 4.480 -0.000 0.000 0.260 371 M C 2.402 178.515 176.300 -0.311 0.000 1.068 371 M CA 1.821 57.007 55.300 -0.190 0.000 1.109 371 M CB -1.400 31.115 32.600 -0.142 0.000 1.342 371 M HN 0.205 nan 8.290 nan 0.000 0.405 372 R N 0.497 120.867 120.500 -0.217 0.000 2.073 372 R HA -0.190 4.150 4.340 -0.000 0.000 0.234 372 R C 2.088 178.215 176.300 -0.288 0.000 1.134 372 R CA 1.853 57.831 56.100 -0.204 0.000 0.952 372 R CB -0.172 30.051 30.300 -0.129 0.000 0.850 372 R HN 0.495 nan 8.270 nan 0.000 0.433 373 Q N -0.180 119.410 119.800 -0.350 0.000 2.170 373 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 373 Q C 1.678 177.343 176.000 -0.559 0.000 0.976 373 Q CA 1.108 56.672 55.803 -0.399 0.000 0.858 373 Q CB 0.145 28.651 28.738 -0.386 0.000 0.907 373 Q HN 0.155 nan 8.270 nan 0.000 0.433 374 K N -0.554 119.333 120.400 -0.855 0.000 2.400 374 K HA 0.067 4.387 4.320 -0.000 0.000 0.194 374 K C 0.848 176.959 176.600 -0.815 0.000 1.033 374 K CA 0.767 56.386 56.287 -1.113 0.000 1.021 374 K CB 0.598 31.855 32.500 -2.071 0.000 0.808 374 K HN 0.354 nan 8.250 nan 0.000 0.505 375 G N 1.617 110.102 108.800 -0.525 0.000 2.225 375 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.264 375 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.264 375 G C 0.461 175.341 174.900 -0.033 0.000 1.060 375 G CA -0.029 44.929 45.100 -0.237 0.000 0.833 375 G HN 0.417 nan 8.290 nan 0.000 0.498 376 F N 0.472 120.295 119.950 -0.211 0.000 2.765 376 F HA 0.276 4.803 4.527 0.000 0.000 0.302 376 F C 2.250 177.919 175.800 -0.218 0.000 1.111 376 F CA 0.076 57.951 58.000 -0.209 0.000 1.359 376 F CB 0.229 39.077 39.000 -0.254 0.000 1.097 376 F HN 0.699 nan 8.300 nan 0.000 0.577 377 G N 1.682 110.469 108.800 -0.022 0.000 2.591 377 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.298 377 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.298 377 G C 0.735 175.543 174.900 -0.153 0.000 1.195 377 G CA 0.696 45.752 45.100 -0.072 0.000 0.989 377 G HN 0.318 nan 8.290 nan 0.000 0.551 378 T N -2.350 112.120 114.554 -0.140 0.000 3.174 378 T HA 0.439 4.789 4.350 -0.000 0.000 0.269 378 T C 0.190 174.764 174.700 -0.209 0.000 1.017 378 T CA 1.019 63.012 62.100 -0.178 0.000 0.899 378 T CB 0.647 69.516 68.868 0.000 0.000 1.077 378 T HN 0.578 nan 8.240 nan 0.000 0.552 379 D N 0.962 121.221 120.400 -0.234 0.000 2.468 379 D HA 0.285 4.925 4.640 -0.000 0.000 0.218 379 D C 0.086 176.199 176.300 -0.312 0.000 1.155 379 D CA -1.329 52.568 54.000 -0.170 0.000 0.924 379 D CB -0.375 40.356 40.800 -0.115 0.000 1.029 379 D HN 0.241 nan 8.370 nan 0.000 0.515 380 F N 1.651 121.453 119.950 -0.248 0.000 2.722 380 F HA 0.030 4.557 4.527 -0.000 0.000 0.298 380 F C 2.128 177.585 175.800 -0.572 0.000 1.175 380 F CA 0.503 58.216 58.000 -0.478 0.000 1.462 380 F CB 0.125 38.627 39.000 -0.829 0.000 1.111 380 F HN 0.263 nan 8.300 nan 0.000 0.592 381 K N 0.161 120.447 120.400 -0.190 0.000 2.228 381 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 381 K C 1.815 178.387 176.600 -0.047 0.000 1.051 381 K CA 0.787 57.094 56.287 0.033 0.000 0.960 381 K CB -0.020 32.550 32.500 0.118 0.000 0.743 381 K HN 0.238 nan 8.250 nan 0.000 0.458 382 K N 0.919 121.168 120.400 -0.253 0.000 2.155 382 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 382 K C 2.024 178.279 176.600 -0.576 0.000 1.052 382 K CA 0.628 56.586 56.287 -0.550 0.000 0.948 382 K CB 0.059 31.977 32.500 -0.970 0.000 0.728 382 K HN 0.086 nan 8.250 nan 0.000 0.448 383 L N 1.214 122.258 121.223 -0.297 0.000 2.072 383 L HA -0.165 4.175 4.340 -0.000 0.000 0.205 383 L C 2.507 179.531 176.870 0.256 0.000 1.079 383 L CA 1.489 56.366 54.840 0.061 0.000 0.752 383 L CB -0.217 41.853 42.059 0.018 0.000 0.906 383 L HN 0.316 nan 8.230 nan 0.000 0.436 384 E N -0.525 119.887 120.200 0.354 0.000 2.085 384 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 384 E C 2.017 178.874 176.600 0.429 0.000 0.994 384 E CA 1.660 58.411 56.400 0.585 0.000 0.801 384 E CB 0.136 30.221 29.700 0.641 0.000 0.743 384 E HN 0.410 nan 8.360 nan 0.000 0.453 385 S N 0.086 115.935 115.700 0.248 0.000 2.387 385 S HA -0.101 4.369 4.470 -0.000 0.000 0.226 385 S C 1.418 176.135 174.600 0.195 0.000 1.026 385 S CA 0.835 59.137 58.200 0.170 0.000 0.972 385 S CB -0.393 62.841 63.200 0.056 0.000 0.814 385 S HN 0.395 nan 8.310 nan 0.000 0.477 386 F N 1.628 121.641 119.950 0.104 0.000 2.095 386 F HA -0.173 4.354 4.527 0.000 0.000 0.298 386 F C 2.074 178.009 175.800 0.225 0.000 1.104 386 F CA 1.400 59.511 58.000 0.186 0.000 1.232 386 F CB -0.726 38.488 39.000 0.357 0.000 0.987 386 F HN 0.245 nan 8.300 nan 0.000 0.475 387 Y N 0.381 120.804 120.300 0.206 0.000 2.089 387 Y HA -0.224 4.326 4.550 -0.000 0.000 0.282 387 Y C 2.318 178.302 175.900 0.141 0.000 1.139 387 Y CA 2.100 60.321 58.100 0.202 0.000 1.123 387 Y CB -0.960 37.702 38.460 0.336 0.000 0.980 387 Y HN 0.138 nan 8.280 nan 0.000 0.493 388 I N 0.906 121.527 120.570 0.085 0.000 2.361 388 I HA -0.315 3.855 4.170 -0.000 0.000 0.251 388 I C 2.215 178.256 176.117 -0.125 0.000 1.133 388 I CA 1.631 62.910 61.300 -0.036 0.000 1.413 388 I CB -0.597 37.505 38.000 0.170 0.000 1.073 388 I HN 0.414 nan 8.210 nan 0.000 0.424 389 Q N -0.305 119.434 119.800 -0.102 0.000 2.167 389 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 389 Q C 2.151 178.030 176.000 -0.202 0.000 0.970 389 Q CA 1.377 57.108 55.803 -0.120 0.000 0.855 389 Q CB -0.112 28.579 28.738 -0.078 0.000 0.911 389 Q HN 0.470 nan 8.270 nan 0.000 0.438 390 K N -0.150 120.057 120.400 -0.322 0.000 2.155 390 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 390 K C 1.981 178.453 176.600 -0.213 0.000 1.052 390 K CA 1.009 57.085 56.287 -0.353 0.000 0.948 390 K CB 0.154 32.268 32.500 -0.643 0.000 0.728 390 K HN 0.026 nan 8.250 nan 0.000 0.448 391 V N 1.460 121.224 119.914 -0.251 0.000 2.453 391 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 391 V C 2.101 178.078 176.094 -0.195 0.000 1.048 391 V CA 1.127 63.306 62.300 -0.202 0.000 1.049 391 V CB -0.317 31.337 31.823 -0.282 0.000 0.672 391 V HN 0.232 nan 8.190 nan 0.000 0.457 392 L N 0.118 121.239 121.223 -0.170 0.000 2.046 392 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 392 L C 2.282 179.082 176.870 -0.117 0.000 1.077 392 L CA 1.918 56.676 54.840 -0.137 0.000 0.747 392 L CB -1.501 40.500 42.059 -0.096 0.000 0.896 392 L HN 0.363 nan 8.230 nan 0.000 0.432 393 D N -0.364 119.971 120.400 -0.109 0.000 2.117 393 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 393 D C 2.394 178.651 176.300 -0.071 0.000 0.987 393 D CA 1.048 54.998 54.000 -0.084 0.000 0.829 393 D CB 0.021 40.767 40.800 -0.090 0.000 0.961 393 D HN 0.297 nan 8.370 nan 0.000 0.460 394 I N 0.910 121.438 120.570 -0.070 0.000 2.163 394 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 394 I C 2.176 178.257 176.117 -0.060 0.000 1.085 394 I CA 0.572 61.855 61.300 -0.028 0.000 1.347 394 I CB -0.111 37.912 38.000 0.038 0.000 1.044 394 I HN -0.007 nan 8.210 nan 0.000 0.408 395 I N 1.133 121.621 120.570 -0.136 0.000 2.286 395 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 395 I C 2.779 178.831 176.117 -0.108 0.000 1.115 395 I CA 1.594 62.797 61.300 -0.162 0.000 1.392 395 I CB -1.658 36.202 38.000 -0.234 0.000 1.065 395 I HN 0.180 nan 8.210 nan 0.000 0.418 396 A N 0.601 123.367 122.820 -0.090 0.000 2.125 396 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 396 A C 2.239 179.792 177.584 -0.052 0.000 1.156 396 A CA 1.958 53.953 52.037 -0.069 0.000 0.671 396 A CB -0.938 18.031 19.000 -0.052 0.000 0.794 396 A HN 0.575 nan 8.150 nan 0.000 0.459 397 T N -2.184 112.344 114.554 -0.043 0.000 3.065 397 T HA 0.213 4.563 4.350 -0.000 0.000 0.252 397 T C 1.059 175.745 174.700 -0.023 0.000 1.099 397 T CA 0.677 62.762 62.100 -0.025 0.000 1.063 397 T CB -0.452 68.409 68.868 -0.011 0.000 0.948 397 T HN 0.725 nan 8.240 nan 0.000 0.506 398 I N -1.216 119.334 120.570 -0.033 0.000 3.736 398 I HA 0.491 4.661 4.170 -0.000 0.000 0.338 398 I C 0.195 176.284 176.117 -0.047 0.000 1.558 398 I CA -0.713 60.570 61.300 -0.028 0.000 1.147 398 I CB -0.825 37.168 38.000 -0.011 0.000 1.275 398 I HN 0.058 nan 8.210 nan 0.000 0.454 399 N N 2.119 120.785 118.700 -0.058 0.000 2.727 399 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 399 N C -0.709 174.730 175.510 -0.117 0.000 1.048 399 N CA 1.038 54.042 53.050 -0.076 0.000 0.714 399 N CB -0.686 37.768 38.487 -0.056 0.000 0.959 399 N HN 0.589 nan 8.380 nan 0.000 0.544 400 K N -0.776 119.538 120.400 -0.143 0.000 2.443 400 K HA 0.830 5.150 4.320 -0.000 0.000 0.251 400 K C 0.370 176.808 176.600 -0.270 0.000 0.972 400 K CA -0.107 56.054 56.287 -0.210 0.000 0.833 400 K CB 1.664 34.076 32.500 -0.147 0.000 1.317 400 K HN 0.197 nan 8.250 nan 0.000 0.441 401 G N -0.164 108.358 108.800 -0.464 0.000 2.491 401 G HA2 0.560 4.520 3.960 -0.000 0.000 0.327 401 G HA3 0.560 4.520 3.960 -0.000 0.000 0.327 401 G C -0.965 173.895 174.900 -0.067 0.000 1.189 401 G CA -0.418 44.437 45.100 -0.407 0.000 0.956 401 G HN 0.400 nan 8.290 nan 0.000 0.491 402 S N -0.955 114.807 115.700 0.102 0.000 2.536 402 S HA 0.662 5.132 4.470 -0.000 0.000 0.298 402 S C -0.629 173.969 174.600 -0.004 0.000 1.083 402 S CA -0.354 57.867 58.200 0.035 0.000 0.995 402 S CB 1.466 64.619 63.200 -0.079 0.000 1.058 402 S HN 0.453 nan 8.310 nan 0.000 0.488 403 I N 2.300 122.737 120.570 -0.223 0.000 2.545 403 I HA 0.610 4.780 4.170 -0.000 0.000 0.292 403 I C -0.799 174.880 176.117 -0.730 0.000 1.040 403 I CA -1.024 59.962 61.300 -0.523 0.000 1.068 403 I CB 1.964 39.516 38.000 -0.748 0.000 1.251 403 I HN 0.449 nan 8.210 nan 0.000 0.424 404 V N 0.854 120.428 119.914 -0.566 0.000 3.007 404 V HA 0.563 4.683 4.120 -0.000 0.000 0.311 404 V C -1.001 175.033 176.094 -0.099 0.000 1.120 404 V CA -0.972 61.136 62.300 -0.320 0.000 0.980 404 V CB 1.612 33.398 31.823 -0.061 0.000 1.033 404 V HN 0.758 nan 8.190 nan 0.000 0.429 405 W N 1.704 123.162 121.300 0.264 0.000 2.137 405 W HA 0.305 4.965 4.660 -0.000 0.000 0.344 405 W C 2.114 178.829 176.519 0.327 0.000 1.286 405 W CA 0.372 57.955 57.345 0.396 0.000 1.240 405 W CB 0.841 30.559 29.460 0.430 0.000 1.141 405 W HN 0.914 nan 8.180 nan 0.000 0.579 406 Q N 0.199 120.387 119.800 0.647 0.000 2.197 406 Q HA -0.290 4.050 4.340 -0.000 0.000 0.207 406 Q C 1.209 177.414 176.000 0.341 0.000 0.984 406 Q CA 2.100 58.125 55.803 0.371 0.000 0.869 406 Q CB -0.272 28.593 28.738 0.211 0.000 0.906 406 Q HN 0.594 nan 8.270 nan 0.000 0.426 407 E N 0.901 121.326 120.200 0.375 0.000 2.130 407 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 407 E C 2.026 178.778 176.600 0.254 0.000 0.998 407 E CA 1.704 58.270 56.400 0.278 0.000 0.806 407 E CB -0.226 29.648 29.700 0.290 0.000 0.738 407 E HN 0.255 nan 8.360 nan 0.000 0.459 408 V N 0.396 120.480 119.914 0.283 0.000 2.287 408 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 408 V C 1.924 178.118 176.094 0.165 0.000 1.053 408 V CA 1.944 64.376 62.300 0.220 0.000 1.027 408 V CB -0.487 31.452 31.823 0.194 0.000 0.646 408 V HN 0.271 nan 8.190 nan 0.000 0.447 409 F N 1.492 121.465 119.950 0.039 0.000 2.128 409 F HA -0.126 4.401 4.527 0.000 0.000 0.295 409 F C 2.198 178.026 175.800 0.046 0.000 1.100 409 F CA 1.864 59.860 58.000 -0.006 0.000 1.260 409 F CB -0.381 38.600 39.000 -0.033 0.000 1.009 409 F HN 0.201 nan 8.300 nan 0.000 0.476 410 D N 0.161 120.631 120.400 0.117 0.000 2.182 410 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 410 D C 1.273 177.551 176.300 -0.036 0.000 0.986 410 D CA 1.415 55.426 54.000 0.019 0.000 0.847 410 D CB -0.535 40.330 40.800 0.109 0.000 0.942 410 D HN 0.355 nan 8.370 nan 0.000 0.467 411 D N 0.243 120.661 120.400 0.030 0.000 2.325 411 D HA 0.036 4.676 4.640 -0.000 0.000 0.234 411 D C 0.213 176.513 176.300 -0.001 0.000 1.122 411 D CA 0.051 54.088 54.000 0.061 0.000 0.850 411 D CB 0.030 40.935 40.800 0.174 0.000 0.921 411 D HN 0.205 nan 8.370 nan 0.000 0.513 412 K N -0.947 119.390 120.400 -0.105 0.000 3.192 412 K HA -0.166 4.154 4.320 -0.000 0.000 0.278 412 K C 0.079 176.638 176.600 -0.068 0.000 1.164 412 K CA 0.418 56.626 56.287 -0.132 0.000 0.816 412 K CB -1.892 30.555 32.500 -0.088 0.000 1.256 412 K HN 0.240 nan 8.250 nan 0.000 0.497 413 A N 1.550 124.349 122.820 -0.035 0.000 2.425 413 A HA 0.198 4.518 4.320 -0.000 0.000 0.242 413 A C 0.274 177.857 177.584 -0.002 0.000 1.077 413 A CA 0.065 52.107 52.037 0.008 0.000 0.781 413 A CB 0.323 19.348 19.000 0.042 0.000 1.020 413 A HN 0.243 nan 8.150 nan 0.000 0.494 414 K N 1.638 122.052 120.400 0.023 0.000 2.285 414 K HA 0.430 4.750 4.320 -0.000 0.000 0.286 414 K C -1.060 175.572 176.600 0.054 0.000 1.072 414 K CA 0.231 56.551 56.287 0.055 0.000 0.913 414 K CB 0.541 33.075 32.500 0.056 0.000 1.067 414 K HN 0.544 nan 8.250 nan 0.000 0.479 415 L N 2.293 123.574 121.223 0.098 0.000 2.334 415 L HA 0.502 4.842 4.340 -0.000 0.000 0.276 415 L C 0.243 177.263 176.870 0.250 0.000 1.014 415 L CA -1.056 53.812 54.840 0.046 0.000 0.815 415 L CB 1.767 43.616 42.059 -0.350 0.000 1.268 415 L HN 0.623 nan 8.230 nan 0.000 0.428 416 A N 3.574 126.498 122.820 0.172 0.000 2.351 416 A HA 0.602 4.922 4.320 -0.000 0.000 0.257 416 A C -2.349 175.429 177.584 0.323 0.000 1.087 416 A CA -1.251 50.904 52.037 0.197 0.000 0.798 416 A CB -0.268 18.790 19.000 0.097 0.000 1.033 416 A HN 0.451 nan 8.150 nan 0.000 0.488 417 P HA 0.245 nan 4.420 nan 0.000 0.266 417 P C 1.034 178.458 177.300 0.206 0.000 1.193 417 P CA 1.891 65.107 63.100 0.192 0.000 0.770 417 P CB 0.529 32.272 31.700 0.071 0.000 0.836 418 G N 0.896 109.832 108.800 0.226 0.000 2.199 418 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 418 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 418 G C 0.284 175.314 174.900 0.217 0.000 0.982 418 G CA 0.186 45.405 45.100 0.198 0.000 0.632 418 G HN 0.621 nan 8.290 nan 0.000 0.529 419 T N 1.673 116.363 114.554 0.227 0.000 2.870 419 T HA 0.525 4.875 4.350 -0.000 0.000 0.300 419 T C 0.813 175.517 174.700 0.007 0.000 0.989 419 T CA 0.208 62.349 62.100 0.068 0.000 1.139 419 T CB 1.289 70.106 68.868 -0.085 0.000 0.920 419 T HN 0.336 nan 8.240 nan 0.000 0.537 420 I N 2.948 123.460 120.570 -0.097 0.000 2.440 420 I HA 0.378 4.548 4.170 -0.000 0.000 0.294 420 I C -0.182 175.777 176.117 -0.262 0.000 0.995 420 I CA -0.853 60.324 61.300 -0.205 0.000 1.306 420 I CB 1.410 39.187 38.000 -0.371 0.000 1.407 420 I HN 0.249 nan 8.210 nan 0.000 0.501 421 V N 5.220 124.989 119.914 -0.241 0.000 2.495 421 V HA 0.280 4.400 4.120 -0.000 0.000 0.298 421 V C -0.167 175.830 176.094 -0.162 0.000 1.031 421 V CA -0.675 61.503 62.300 -0.204 0.000 0.871 421 V CB 1.682 33.364 31.823 -0.235 0.000 0.988 421 V HN 0.713 nan 8.190 nan 0.000 0.432 422 E N 3.488 123.662 120.200 -0.043 0.000 2.109 422 E HA 0.473 4.823 4.350 -0.000 0.000 0.278 422 E C -1.199 175.621 176.600 0.366 0.000 0.954 422 E CA -0.489 55.977 56.400 0.110 0.000 0.779 422 E CB 1.607 31.389 29.700 0.137 0.000 1.093 422 E HN 0.520 nan 8.360 nan 0.000 0.401 423 V N 7.618 127.660 119.914 0.214 0.000 2.389 423 V HA 0.091 4.211 4.120 -0.000 0.000 0.264 423 V C 0.596 176.863 176.094 0.288 0.000 1.049 423 V CA -0.246 62.162 62.300 0.179 0.000 0.932 423 V CB 0.093 31.926 31.823 0.017 0.000 1.011 423 V HN 0.833 nan 8.190 nan 0.000 0.475 424 W N 3.372 124.782 121.300 0.183 0.000 2.865 424 W HA 0.353 5.013 4.660 -0.000 0.000 0.300 424 W C 0.131 176.606 176.519 -0.074 0.000 1.096 424 W CA -0.705 56.729 57.345 0.148 0.000 1.524 424 W CB 0.205 29.795 29.460 0.217 0.000 0.991 424 W HN 0.315 nan 8.180 nan 0.000 0.571 425 K N 2.896 122.862 120.400 -0.723 0.000 2.349 425 K HA -0.020 4.300 4.320 -0.000 0.000 0.288 425 K C 0.665 177.089 176.600 -0.294 0.000 1.058 425 K CA -0.022 55.794 56.287 -0.784 0.000 0.953 425 K CB 1.453 33.404 32.500 -0.915 0.000 0.997 425 K HN -0.252 nan 8.250 nan 0.000 0.477 426 D N 1.793 122.059 120.400 -0.223 0.000 2.117 426 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 426 D C 0.151 176.480 176.300 0.047 0.000 0.987 426 D CA 0.927 54.909 54.000 -0.029 0.000 0.829 426 D CB 0.044 40.805 40.800 -0.066 0.000 0.961 426 D HN 0.547 nan 8.370 nan 0.000 0.460 427 S N -0.195 115.468 115.700 -0.062 0.000 2.571 427 S HA 0.325 4.795 4.470 -0.000 0.000 0.297 427 S C 0.731 175.295 174.600 -0.059 0.000 1.234 427 S CA 0.104 58.268 58.200 -0.060 0.000 1.120 427 S CB 0.468 63.616 63.200 -0.087 0.000 0.923 427 S HN 0.558 nan 8.310 nan 0.000 0.504 428 A N 2.489 125.258 122.820 -0.085 0.000 2.745 428 A HA -0.224 4.096 4.320 -0.000 0.000 0.296 428 A C 0.618 178.129 177.584 -0.120 0.000 1.500 428 A CA 1.117 53.076 52.037 -0.131 0.000 0.766 428 A CB -2.911 16.039 19.000 -0.084 0.000 1.030 428 A HN 1.903 nan 8.150 nan 0.000 0.489 429 Y N -2.393 117.852 120.300 -0.092 0.000 2.403 429 Y HA 0.115 4.665 4.550 -0.000 0.000 0.291 429 Y C -0.542 175.300 175.900 -0.097 0.000 1.143 429 Y CA 0.796 58.832 58.100 -0.106 0.000 1.257 429 Y CB -1.615 36.776 38.460 -0.115 0.000 0.984 429 Y HN 0.396 nan 8.280 nan 0.000 0.550 430 P HA -0.130 nan 4.420 nan 0.000 0.217 430 P C 1.008 178.281 177.300 -0.046 0.000 1.150 430 P CA 2.283 65.279 63.100 -0.173 0.000 0.832 430 P CB 0.010 31.580 31.700 -0.217 0.000 0.787 431 E N -0.460 119.711 120.200 -0.047 0.000 2.152 431 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 431 E C 1.943 178.547 176.600 0.008 0.000 0.983 431 E CA 0.799 57.203 56.400 0.006 0.000 0.818 431 E CB -0.275 29.424 29.700 -0.001 0.000 0.758 431 E HN 0.279 nan 8.360 nan 0.000 0.467 432 E N 1.415 121.607 120.200 -0.012 0.000 2.106 432 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 432 E C 1.921 178.474 176.600 -0.079 0.000 0.984 432 E CA 0.742 57.141 56.400 -0.002 0.000 0.806 432 E CB -0.133 29.569 29.700 0.002 0.000 0.750 432 E HN 0.195 nan 8.360 nan 0.000 0.458 433 L N 0.018 121.132 121.223 -0.181 0.000 2.046 433 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 433 L C 2.480 179.126 176.870 -0.374 0.000 1.077 433 L CA 1.292 55.863 54.840 -0.448 0.000 0.747 433 L CB -0.397 41.087 42.059 -0.957 0.000 0.896 433 L HN 0.126 nan 8.230 nan 0.000 0.432 434 S N -0.415 115.216 115.700 -0.114 0.000 2.356 434 S HA -0.164 4.306 4.470 -0.000 0.000 0.223 434 S C 2.031 176.696 174.600 0.110 0.000 1.032 434 S CA 1.143 59.447 58.200 0.172 0.000 1.005 434 S CB -0.221 63.110 63.200 0.219 0.000 0.867 434 S HN 0.358 nan 8.310 nan 0.000 0.449 435 R N 0.516 121.067 120.500 0.084 0.000 2.070 435 R HA -0.065 4.275 4.340 -0.000 0.000 0.233 435 R C 2.316 178.679 176.300 0.105 0.000 1.137 435 R CA 1.478 57.675 56.100 0.162 0.000 0.945 435 R CB -0.887 29.563 30.300 0.251 0.000 0.845 435 R HN 0.268 nan 8.270 nan 0.000 0.430 436 V N 1.059 120.872 119.914 -0.167 0.000 2.287 436 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 436 V C 2.670 178.676 176.094 -0.146 0.000 1.053 436 V CA 2.439 64.432 62.300 -0.511 0.000 1.027 436 V CB -0.995 30.521 31.823 -0.511 0.000 0.646 436 V HN 0.598 nan 8.190 nan 0.000 0.447 437 T N -1.177 113.352 114.554 -0.041 0.000 2.904 437 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 437 T C 1.934 176.675 174.700 0.069 0.000 1.059 437 T CA 1.291 63.423 62.100 0.054 0.000 1.137 437 T CB -0.441 68.532 68.868 0.175 0.000 0.879 437 T HN 0.466 nan 8.240 nan 0.000 0.467 438 A N 1.815 124.694 122.820 0.098 0.000 1.940 438 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 438 A C 2.567 180.196 177.584 0.075 0.000 1.176 438 A CA 1.865 53.961 52.037 0.097 0.000 0.631 438 A CB -1.046 18.027 19.000 0.122 0.000 0.814 438 A HN 0.543 nan 8.150 nan 0.000 0.446 439 S N -1.530 114.242 115.700 0.119 0.000 2.607 439 S HA 0.317 4.787 4.470 -0.000 0.000 0.224 439 S C 1.400 175.868 174.600 -0.220 0.000 0.969 439 S CA 0.912 59.172 58.200 0.100 0.000 0.927 439 S CB -0.167 63.324 63.200 0.485 0.000 0.772 439 S HN 1.659 nan 8.310 nan 0.000 0.533 440 G N 0.774 109.463 108.800 -0.185 0.000 2.141 440 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 440 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 440 G C -0.133 174.543 174.900 -0.374 0.000 0.982 440 G CA -0.361 44.571 45.100 -0.279 0.000 0.662 440 G HN 0.416 nan 8.290 nan 0.000 0.527 441 F N 2.138 122.074 119.950 -0.023 0.000 2.404 441 F HA 0.532 5.059 4.527 -0.000 0.000 0.339 441 F C -1.256 174.487 175.800 -0.095 0.000 1.105 441 F CA -2.694 55.269 58.000 -0.061 0.000 1.087 441 F CB 1.391 40.323 39.000 -0.112 0.000 1.143 441 F HN -0.143 nan 8.300 nan 0.000 0.491 442 P HA 0.091 nan 4.420 nan 0.000 0.269 442 P C -0.834 176.404 177.300 -0.103 0.000 1.209 442 P CA 0.080 63.176 63.100 -0.007 0.000 0.776 442 P CB 1.913 33.599 31.700 -0.024 0.000 0.876 443 V N 4.038 123.836 119.914 -0.193 0.000 2.876 443 V HA 0.550 4.670 4.120 -0.000 0.000 0.312 443 V C -0.711 175.059 176.094 -0.541 0.000 1.085 443 V CA -1.116 60.998 62.300 -0.310 0.000 0.945 443 V CB 2.016 33.682 31.823 -0.261 0.000 1.017 443 V HN 0.340 nan 8.190 nan 0.000 0.428 444 I N 5.624 125.904 120.570 -0.485 0.000 2.498 444 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 444 I C -1.152 174.786 176.117 -0.299 0.000 1.032 444 I CA -0.776 60.212 61.300 -0.520 0.000 1.073 444 I CB 1.924 39.642 38.000 -0.469 0.000 1.251 444 I HN 0.464 nan 8.210 nan 0.000 0.426 445 L N 5.879 126.961 121.223 -0.235 0.000 2.307 445 L HA 0.473 4.813 4.340 -0.000 0.000 0.284 445 L C 0.633 177.644 176.870 0.236 0.000 1.023 445 L CA 0.599 55.449 54.840 0.017 0.000 0.810 445 L CB 1.595 43.723 42.059 0.115 0.000 1.231 445 L HN 0.723 nan 8.230 nan 0.000 0.423 446 S N 2.566 118.414 115.700 0.247 0.000 2.651 446 S HA 0.230 4.700 4.470 -0.000 0.000 0.259 446 S C 1.586 176.405 174.600 0.365 0.000 1.073 446 S CA 0.231 58.697 58.200 0.442 0.000 1.090 446 S CB -0.124 63.397 63.200 0.536 0.000 1.042 446 S HN 0.745 nan 8.310 nan 0.000 0.581 447 A N 3.699 126.567 122.820 0.080 0.000 1.909 447 A HA -0.061 4.259 4.320 -0.000 0.000 0.221 447 A C 0.164 177.656 177.584 -0.153 0.000 1.223 447 A CA 2.301 54.273 52.037 -0.109 0.000 0.658 447 A CB -1.909 16.823 19.000 -0.446 0.000 0.831 447 A HN 0.645 nan 8.150 nan 0.000 0.462 448 P HA 0.019 nan 4.420 nan 0.000 0.255 448 P C -0.339 176.987 177.300 0.043 0.000 1.248 448 P CA 0.305 63.248 63.100 -0.262 0.000 0.807 448 P CB 0.050 31.441 31.700 -0.515 0.000 1.150 449 W N -0.266 121.170 121.300 0.228 0.000 1.931 449 W HA 0.289 4.949 4.660 -0.000 0.000 0.346 449 W C -0.580 175.978 176.519 0.065 0.000 0.775 449 W CA -0.837 56.546 57.345 0.064 0.000 2.738 449 W CB -0.675 28.797 29.460 0.020 0.000 1.908 449 W HN -0.097 nan 8.180 nan 0.000 0.665 450 Y N 1.538 121.961 120.300 0.204 0.000 2.650 450 Y HA 0.151 4.701 4.550 -0.000 0.000 0.343 450 Y C 1.534 177.509 175.900 0.124 0.000 1.078 450 Y CA -0.115 58.097 58.100 0.188 0.000 1.356 450 Y CB 0.132 38.730 38.460 0.230 0.000 1.204 450 Y HN -0.056 nan 8.280 nan 0.000 0.508 451 L N 1.756 122.975 121.223 -0.007 0.000 2.456 451 L HA -0.144 4.196 4.340 -0.000 0.000 0.224 451 L C 1.669 178.587 176.870 0.080 0.000 1.148 451 L CA 0.928 55.750 54.840 -0.031 0.000 0.825 451 L CB -0.216 41.713 42.059 -0.217 0.000 0.937 451 L HN 0.589 nan 8.230 nan 0.000 0.450 452 D N 0.665 121.135 120.400 0.117 0.000 2.312 452 D HA -0.138 4.502 4.640 -0.000 0.000 0.211 452 D C 1.075 177.505 176.300 0.216 0.000 0.964 452 D CA 0.462 54.564 54.000 0.170 0.000 0.877 452 D CB -0.106 40.835 40.800 0.234 0.000 0.924 452 D HN 0.308 nan 8.370 nan 0.000 0.515 453 L N 2.614 123.993 121.223 0.260 0.000 2.399 453 L HA 0.293 4.633 4.340 -0.000 0.000 0.257 453 L C 0.713 177.713 176.870 0.217 0.000 1.236 453 L CA -0.643 54.336 54.840 0.232 0.000 1.144 453 L CB -0.223 41.992 42.059 0.260 0.000 1.379 453 L HN 0.036 nan 8.230 nan 0.000 0.414 454 I N -0.204 120.464 120.570 0.165 0.000 2.882 454 I HA 0.549 4.719 4.170 -0.000 0.000 0.286 454 I C 0.453 176.646 176.117 0.127 0.000 1.139 454 I CA 0.030 61.423 61.300 0.154 0.000 1.379 454 I CB 1.319 39.389 38.000 0.116 0.000 1.410 454 I HN 0.495 nan 8.210 nan 0.000 0.594 455 S N 2.877 118.654 115.700 0.130 0.000 2.625 455 S HA 0.381 4.851 4.470 -0.000 0.000 0.271 455 S C -0.956 173.736 174.600 0.152 0.000 1.161 455 S CA -0.862 57.414 58.200 0.127 0.000 0.820 455 S CB 0.927 64.188 63.200 0.102 0.000 1.137 455 S HN 0.736 nan 8.310 nan 0.000 0.470 456 Y N 1.949 122.275 120.300 0.043 0.000 2.497 456 Y HA 0.465 5.015 4.550 -0.000 0.000 0.334 456 Y C 1.015 176.947 175.900 0.054 0.000 1.199 456 Y CA 1.903 60.032 58.100 0.049 0.000 1.425 456 Y CB -0.107 38.375 38.460 0.037 0.000 1.291 456 Y HN 1.669 nan 8.280 nan 0.000 0.562 457 G N 4.367 112.720 108.800 -0.745 0.000 2.632 457 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.224 457 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.224 457 G C -0.750 174.062 174.900 -0.146 0.000 1.341 457 G CA -0.223 44.567 45.100 -0.517 0.000 0.880 457 G HN 0.784 nan 8.290 nan 0.000 0.566 458 Q N 1.337 121.082 119.800 -0.092 0.000 3.159 458 Q HA 0.142 4.482 4.340 -0.000 0.000 0.280 458 Q C 1.044 176.929 176.000 -0.193 0.000 1.403 458 Q CA 0.517 56.314 55.803 -0.010 0.000 0.957 458 Q CB -0.041 28.661 28.738 -0.060 0.000 1.729 458 Q HN 0.644 nan 8.270 nan 0.000 0.551 459 D N 0.410 120.759 120.400 -0.085 0.000 2.371 459 D HA -0.195 4.445 4.640 -0.000 0.000 0.221 459 D C 1.443 177.553 176.300 -0.317 0.000 0.986 459 D CA 0.209 54.067 54.000 -0.236 0.000 0.899 459 D CB -0.376 40.325 40.800 -0.166 0.000 0.902 459 D HN 0.681 nan 8.370 nan 0.000 0.530 460 W N 1.937 123.230 121.300 -0.012 0.000 2.374 460 W HA -0.077 4.583 4.660 -0.000 0.000 0.288 460 W C 1.415 178.037 176.519 0.170 0.000 1.218 460 W CA 0.267 57.716 57.345 0.173 0.000 1.245 460 W CB -0.823 28.744 29.460 0.178 0.000 1.126 460 W HN -0.047 nan 8.180 nan 0.000 0.545 461 R N 1.679 121.619 120.500 -0.933 0.000 2.081 461 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 461 R C 2.416 178.581 176.300 -0.225 0.000 1.131 461 R CA 2.347 57.921 56.100 -0.878 0.000 0.960 461 R CB -0.573 29.137 30.300 -0.984 0.000 0.856 461 R HN 0.319 nan 8.270 nan 0.000 0.436 462 K N -0.143 120.105 120.400 -0.253 0.000 2.155 462 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 462 K C 1.342 178.015 176.600 0.122 0.000 1.052 462 K CA 1.300 57.522 56.287 -0.109 0.000 0.948 462 K CB -0.183 32.199 32.500 -0.197 0.000 0.728 462 K HN 0.112 nan 8.250 nan 0.000 0.448 463 Y N 0.151 120.667 120.300 0.359 0.000 2.220 463 Y HA -0.117 4.433 4.550 -0.000 0.000 0.291 463 Y C 2.338 178.639 175.900 0.668 0.000 1.129 463 Y CA 0.511 58.980 58.100 0.614 0.000 1.161 463 Y CB -1.007 37.798 38.460 0.575 0.000 0.997 463 Y HN 0.119 nan 8.280 nan 0.000 0.522 464 Y N 1.044 121.673 120.300 0.548 0.000 2.293 464 Y HA -0.169 4.381 4.550 -0.000 0.000 0.291 464 Y C 1.977 178.092 175.900 0.359 0.000 1.137 464 Y CA 1.514 59.906 58.100 0.486 0.000 1.202 464 Y CB -0.101 38.680 38.460 0.534 0.000 0.990 464 Y HN -0.030 nan 8.280 nan 0.000 0.537 465 K N -0.049 120.552 120.400 0.336 0.000 2.439 465 K HA 0.016 4.336 4.320 -0.000 0.000 0.197 465 K C 0.285 176.984 176.600 0.165 0.000 1.041 465 K CA 0.158 56.556 56.287 0.186 0.000 0.970 465 K CB 0.003 32.583 32.500 0.133 0.000 0.773 465 K HN 0.006 nan 8.250 nan 0.000 0.479 466 V N 2.451 122.522 119.914 0.262 0.000 2.694 466 V HA -0.069 4.051 4.120 -0.000 0.000 0.306 466 V C 0.224 176.443 176.094 0.208 0.000 1.054 466 V CA 0.319 62.758 62.300 0.232 0.000 1.161 466 V CB 0.839 32.825 31.823 0.270 0.000 0.916 466 V HN 0.180 nan 8.190 nan 0.000 0.490 467 E N 7.540 127.824 120.200 0.140 0.000 2.255 467 E HA 0.398 4.748 4.350 -0.000 0.000 0.245 467 E C -2.022 174.635 176.600 0.094 0.000 0.909 467 E CA -2.556 53.912 56.400 0.113 0.000 0.747 467 E CB 1.689 31.425 29.700 0.059 0.000 1.215 467 E HN 0.300 nan 8.360 nan 0.000 0.424 468 P HA -0.173 nan 4.420 nan 0.000 0.216 468 P C 0.851 178.059 177.300 -0.153 0.000 1.154 468 P CA 1.160 64.200 63.100 -0.100 0.000 0.865 468 P CB 0.196 31.700 31.700 -0.328 0.000 0.789 469 L N -1.099 120.040 121.223 -0.140 0.000 2.650 469 L HA 0.031 4.371 4.340 -0.000 0.000 0.235 469 L C 0.162 176.931 176.870 -0.168 0.000 1.149 469 L CA 0.366 55.128 54.840 -0.130 0.000 0.887 469 L CB -0.704 41.269 42.059 -0.144 0.000 1.021 469 L HN -0.109 nan 8.230 nan 0.000 0.441 470 D N 1.691 122.102 120.400 0.019 0.000 2.551 470 D HA 0.279 4.919 4.640 -0.000 0.000 0.223 470 D C -0.369 175.991 176.300 0.100 0.000 1.144 470 D CA 0.286 54.279 54.000 -0.012 0.000 1.025 470 D CB -0.171 40.633 40.800 0.007 0.000 1.085 470 D HN 0.094 nan 8.370 nan 0.000 0.506 471 F N -2.266 117.655 119.950 -0.048 0.000 2.668 471 F HA 0.600 5.127 4.527 0.000 0.000 0.309 471 F C 0.301 176.090 175.800 -0.019 0.000 1.117 471 F CA -1.752 56.225 58.000 -0.038 0.000 0.951 471 F CB 0.580 39.573 39.000 -0.012 0.000 1.323 471 F HN -0.034 nan 8.300 nan 0.000 0.451 472 G N 0.347 109.241 108.800 0.157 0.000 2.299 472 G HA2 0.489 4.449 3.960 -0.000 0.000 0.256 472 G HA3 0.489 4.449 3.960 -0.000 0.000 0.256 472 G C -0.188 174.759 174.900 0.078 0.000 1.259 472 G CA 0.208 45.342 45.100 0.057 0.000 0.943 472 G HN 1.519 nan 8.290 nan 0.000 0.479 473 G N 0.931 109.691 108.800 -0.067 0.000 2.442 473 G HA2 0.608 4.568 3.960 -0.000 0.000 0.296 473 G HA3 0.608 4.568 3.960 -0.000 0.000 0.296 473 G C -0.201 174.655 174.900 -0.073 0.000 1.564 473 G CA 0.076 45.159 45.100 -0.028 0.000 0.828 473 G HN 1.071 nan 8.290 nan 0.000 0.571 474 T N -1.666 112.880 114.554 -0.014 0.000 2.698 474 T HA 0.274 4.624 4.350 -0.000 0.000 0.295 474 T C 1.416 176.099 174.700 -0.028 0.000 1.007 474 T CA 0.730 62.819 62.100 -0.018 0.000 0.980 474 T CB 1.372 70.244 68.868 0.007 0.000 1.036 474 T HN 0.667 nan 8.240 nan 0.000 0.526 475 Q N 0.073 119.860 119.800 -0.021 0.000 2.046 475 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 475 Q C 2.328 178.336 176.000 0.014 0.000 0.975 475 Q CA 1.424 57.217 55.803 -0.016 0.000 0.836 475 Q CB -0.153 28.576 28.738 -0.014 0.000 0.896 475 Q HN 0.709 nan 8.270 nan 0.000 0.428 476 K N 0.003 120.416 120.400 0.022 0.000 2.147 476 K HA -0.201 4.119 4.320 -0.000 0.000 0.205 476 K C 2.169 178.809 176.600 0.066 0.000 1.049 476 K CA 1.335 57.645 56.287 0.039 0.000 0.936 476 K CB -0.052 32.465 32.500 0.027 0.000 0.722 476 K HN 0.296 nan 8.250 nan 0.000 0.446 477 Q N 0.925 120.769 119.800 0.073 0.000 2.084 477 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 477 Q C 1.657 177.784 176.000 0.213 0.000 0.978 477 Q CA 1.466 57.348 55.803 0.132 0.000 0.844 477 Q CB 0.201 29.023 28.738 0.140 0.000 0.898 477 Q HN 0.197 nan 8.270 nan 0.000 0.426 478 K N -0.046 120.439 120.400 0.142 0.000 2.288 478 K HA -0.122 4.198 4.320 -0.000 0.000 0.201 478 K C 1.888 178.641 176.600 0.255 0.000 1.048 478 K CA 0.769 57.170 56.287 0.190 0.000 0.956 478 K CB 0.078 32.560 32.500 -0.030 0.000 0.746 478 K HN 0.286 nan 8.250 nan 0.000 0.461 479 Q N 0.515 120.418 119.800 0.172 0.000 2.364 479 Q HA -0.027 4.313 4.340 -0.000 0.000 0.207 479 Q C 1.609 177.724 176.000 0.191 0.000 0.970 479 Q CA 0.623 56.527 55.803 0.168 0.000 0.888 479 Q CB 0.064 28.862 28.738 0.100 0.000 0.951 479 Q HN 0.309 nan 8.270 nan 0.000 0.469 480 L N -0.435 120.907 121.223 0.199 0.000 2.554 480 L HA 0.054 4.394 4.340 -0.000 0.000 0.226 480 L C 0.418 177.385 176.870 0.162 0.000 1.137 480 L CA -0.266 54.663 54.840 0.149 0.000 0.863 480 L CB 0.098 42.224 42.059 0.110 0.000 0.985 480 L HN 0.146 nan 8.230 nan 0.000 0.451 481 F N 1.698 121.730 119.950 0.136 0.000 2.438 481 F HA 0.144 4.671 4.527 -0.000 0.000 0.360 481 F C 1.288 177.141 175.800 0.088 0.000 1.118 481 F CA -0.405 57.648 58.000 0.088 0.000 1.164 481 F CB 0.548 39.652 39.000 0.174 0.000 1.131 481 F HN -0.035 nan 8.300 nan 0.000 0.527 482 I N 2.766 123.222 120.570 -0.189 0.000 3.968 482 I HA 0.602 4.772 4.170 -0.000 0.000 0.328 482 I C 0.805 176.918 176.117 -0.006 0.000 1.290 482 I CA 0.433 61.738 61.300 0.008 0.000 1.163 482 I CB -0.333 37.640 38.000 -0.045 0.000 1.024 482 I HN 0.653 nan 8.210 nan 0.000 0.413 483 G N 0.332 108.866 108.800 -0.444 0.000 2.356 483 G HA2 0.427 4.387 3.960 -0.000 0.000 0.266 483 G HA3 0.427 4.387 3.960 -0.000 0.000 0.266 483 G C -0.932 173.828 174.900 -0.234 0.000 1.312 483 G CA -0.284 44.687 45.100 -0.215 0.000 0.922 483 G HN 0.572 nan 8.290 nan 0.000 0.480 484 G N -1.373 107.514 108.800 0.145 0.000 2.663 484 G HA2 0.727 4.687 3.960 -0.000 0.000 0.299 484 G HA3 0.727 4.687 3.960 -0.000 0.000 0.299 484 G C -1.740 173.371 174.900 0.352 0.000 1.372 484 G CA -0.183 45.096 45.100 0.299 0.000 0.781 484 G HN 0.751 nan 8.290 nan 0.000 0.491 485 E N -1.126 119.300 120.200 0.377 0.000 2.366 485 E HA 0.565 4.915 4.350 -0.000 0.000 0.278 485 E C -0.853 175.867 176.600 0.201 0.000 0.923 485 E CA -1.017 55.546 56.400 0.272 0.000 0.761 485 E CB 2.638 32.496 29.700 0.264 0.000 1.231 485 E HN 0.736 nan 8.360 nan 0.000 0.443 486 A N 1.575 124.397 122.820 0.003 0.000 2.276 486 A HA 0.520 4.840 4.320 -0.000 0.000 0.316 486 A C -0.487 176.943 177.584 -0.256 0.000 1.229 486 A CA -0.494 51.463 52.037 -0.135 0.000 0.851 486 A CB 0.207 19.032 19.000 -0.292 0.000 1.165 486 A HN 0.656 nan 8.150 nan 0.000 0.513 487 C N 2.453 121.572 119.300 -0.302 0.000 2.329 487 C HA 0.586 5.046 4.460 -0.000 0.000 0.329 487 C C 0.081 174.752 174.990 -0.532 0.000 1.275 487 C CA -0.355 58.323 59.018 -0.566 0.000 1.726 487 C CB 0.499 27.764 27.740 -0.791 0.000 2.291 487 C HN 0.797 nan 8.230 nan 0.000 0.514 488 L N 3.854 124.722 121.223 -0.591 0.000 2.502 488 L HA 0.460 4.800 4.340 -0.000 0.000 0.247 488 L C -0.668 175.986 176.870 -0.360 0.000 1.180 488 L CA -0.215 54.401 54.840 -0.373 0.000 0.956 488 L CB -0.274 41.585 42.059 -0.332 0.000 1.282 488 L HN 0.788 nan 8.230 nan 0.000 0.470 489 W N 1.926 123.078 121.300 -0.246 0.000 2.187 489 W HA 0.337 4.997 4.660 0.000 0.000 0.348 489 W C 1.565 178.024 176.519 -0.100 0.000 1.282 489 W CA 0.451 57.665 57.345 -0.219 0.000 1.271 489 W CB 0.706 30.023 29.460 -0.239 0.000 1.170 489 W HN 0.604 nan 8.180 nan 0.000 0.583 490 G N 0.721 109.637 108.800 0.192 0.000 3.189 490 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.225 490 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.225 490 G C 0.961 175.974 174.900 0.189 0.000 1.159 490 G CA -0.106 45.099 45.100 0.175 0.000 0.763 490 G HN 0.503 nan 8.290 nan 0.000 0.549 491 E N 0.101 120.312 120.200 0.019 0.000 2.130 491 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 491 E C 0.591 176.931 176.600 -0.434 0.000 0.998 491 E CA 1.299 57.520 56.400 -0.297 0.000 0.806 491 E CB -0.218 29.131 29.700 -0.585 0.000 0.738 491 E HN 0.712 nan 8.360 nan 0.000 0.459 492 Y N -1.391 119.024 120.300 0.193 0.000 2.706 492 Y HA 0.351 4.901 4.550 -0.000 0.000 0.255 492 Y C -0.515 175.390 175.900 0.008 0.000 1.163 492 Y CA -0.543 57.627 58.100 0.118 0.000 1.174 492 Y CB 1.036 39.545 38.460 0.082 0.000 1.200 492 Y HN -0.238 nan 8.280 nan 0.000 0.544 493 V N 1.861 121.807 119.914 0.053 0.000 2.531 493 V HA 0.425 4.545 4.120 -0.000 0.000 0.301 493 V C -0.800 175.181 176.094 -0.188 0.000 1.034 493 V CA -0.694 61.578 62.300 -0.045 0.000 0.865 493 V CB 1.790 33.626 31.823 0.021 0.000 0.995 493 V HN 0.327 nan 8.190 nan 0.000 0.424 494 D N 4.026 124.289 120.400 -0.229 0.000 2.958 494 D HA 0.521 5.161 4.640 -0.000 0.000 0.306 494 D C 0.998 177.262 176.300 -0.060 0.000 1.226 494 D CA 0.046 53.951 54.000 -0.159 0.000 1.032 494 D CB 1.339 41.969 40.800 -0.284 0.000 1.400 494 D HN 0.444 nan 8.370 nan 0.000 0.587 495 A N -0.680 122.134 122.820 -0.010 0.000 2.070 495 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 495 A C 1.877 179.460 177.584 -0.002 0.000 1.159 495 A CA 2.597 54.637 52.037 0.003 0.000 0.656 495 A CB -1.404 17.615 19.000 0.032 0.000 0.800 495 A HN 0.714 nan 8.150 nan 0.000 0.453 496 T N -1.815 112.731 114.554 -0.014 0.000 3.055 496 T HA -0.071 4.279 4.350 -0.000 0.000 0.265 496 T C 1.002 175.700 174.700 -0.003 0.000 1.111 496 T CA 1.273 63.369 62.100 -0.006 0.000 1.118 496 T CB -0.271 68.592 68.868 -0.008 0.000 0.909 496 T HN 0.656 nan 8.240 nan 0.000 0.501 497 N N -0.358 118.334 118.700 -0.013 0.000 2.036 497 N HA 0.172 4.912 4.740 -0.000 0.000 0.228 497 N C 1.139 176.645 175.510 -0.007 0.000 1.368 497 N CA -0.192 52.857 53.050 -0.002 0.000 0.846 497 N CB -0.597 37.892 38.487 0.002 0.000 1.145 497 N HN 0.371 nan 8.380 nan 0.000 0.502 498 L N 0.966 122.178 121.223 -0.019 0.000 1.994 498 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 498 L C 1.722 178.575 176.870 -0.028 0.000 1.071 498 L CA 1.911 56.729 54.840 -0.037 0.000 0.745 498 L CB -0.614 41.418 42.059 -0.045 0.000 0.892 498 L HN 0.101 nan 8.230 nan 0.000 0.431 499 T N 0.186 114.761 114.554 0.034 0.000 2.708 499 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 499 T C -0.613 174.166 174.700 0.131 0.000 1.037 499 T CA 1.698 63.880 62.100 0.137 0.000 1.146 499 T CB -1.109 67.851 68.868 0.154 0.000 0.865 499 T HN 0.323 nan 8.240 nan 0.000 0.435 500 P HA -0.020 nan 4.420 nan 0.000 0.217 500 P C 1.487 178.809 177.300 0.036 0.000 1.150 500 P CA 1.031 64.171 63.100 0.066 0.000 0.832 500 P CB 0.000 31.729 31.700 0.048 0.000 0.787 501 R N -0.633 119.867 120.500 0.000 0.000 2.090 501 R HA -0.062 4.278 4.340 -0.000 0.000 0.228 501 R C 2.033 178.267 176.300 -0.110 0.000 1.110 501 R CA 0.932 57.019 56.100 -0.022 0.000 0.973 501 R CB -0.855 29.436 30.300 -0.016 0.000 0.869 501 R HN 0.072 nan 8.270 nan 0.000 0.440 502 L N -0.463 120.615 121.223 -0.242 0.000 2.131 502 L HA 0.102 4.442 4.340 -0.000 0.000 0.206 502 L C -0.375 176.041 176.870 -0.757 0.000 1.087 502 L CA 1.275 55.761 54.840 -0.591 0.000 0.767 502 L CB 0.041 41.594 42.059 -0.842 0.000 0.917 502 L HN 0.098 nan 8.230 nan 0.000 0.441 503 W N -0.224 121.050 121.300 -0.043 0.000 2.666 503 W HA 0.444 5.104 4.660 0.000 0.000 0.334 503 W C -1.575 174.915 176.519 -0.048 0.000 1.051 503 W CA -1.549 55.768 57.345 -0.047 0.000 1.224 503 W CB 0.542 29.963 29.460 -0.065 0.000 1.405 503 W HN -0.184 nan 8.180 nan 0.000 0.513 504 P HA 0.086 nan 4.420 nan 0.000 0.261 504 P C 0.842 178.215 177.300 0.121 0.000 1.352 504 P CA 0.283 63.464 63.100 0.135 0.000 0.891 504 P CB 0.365 32.000 31.700 -0.109 0.000 1.383 505 R N 0.712 121.282 120.500 0.116 0.000 2.103 505 R HA -0.110 4.230 4.340 -0.000 0.000 0.242 505 R C 2.316 178.717 176.300 0.168 0.000 1.142 505 R CA 1.913 58.151 56.100 0.230 0.000 0.960 505 R CB -0.993 29.447 30.300 0.233 0.000 0.858 505 R HN 0.158 nan 8.270 nan 0.000 0.439 506 A N 0.269 123.040 122.820 -0.082 0.000 2.067 506 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 506 A C 2.069 179.878 177.584 0.375 0.000 1.158 506 A CA 1.273 53.239 52.037 -0.117 0.000 0.661 506 A CB -0.227 18.294 19.000 -0.799 0.000 0.801 506 A HN 0.217 nan 8.150 nan 0.000 0.452 507 S N 0.103 116.094 115.700 0.483 0.000 2.399 507 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 507 S C 2.252 177.311 174.600 0.765 0.000 1.022 507 S CA 1.093 59.677 58.200 0.640 0.000 0.983 507 S CB -0.374 62.952 63.200 0.210 0.000 0.803 507 S HN 0.800 nan 8.310 nan 0.000 0.480 508 A N 1.156 124.362 122.820 0.644 0.000 1.902 508 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 508 A C 2.320 180.287 177.584 0.640 0.000 1.181 508 A CA 1.592 54.160 52.037 0.885 0.000 0.623 508 A CB -0.842 18.710 19.000 0.919 0.000 0.818 508 A HN 0.365 nan 8.150 nan 0.000 0.443 509 V N -0.071 120.033 119.914 0.317 0.000 2.427 509 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 509 V C 2.812 178.892 176.094 -0.023 0.000 1.051 509 V CA 1.750 63.978 62.300 -0.119 0.000 1.048 509 V CB -1.554 29.979 31.823 -0.482 0.000 0.666 509 V HN 0.602 nan 8.190 nan 0.000 0.456 510 G N -0.176 108.713 108.800 0.149 0.000 2.446 510 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.217 510 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.217 510 G C 1.530 176.423 174.900 -0.013 0.000 1.168 510 G CA 1.131 46.080 45.100 -0.253 0.000 0.771 510 G HN 0.589 nan 8.290 nan 0.000 0.551 511 E N -0.076 120.223 120.200 0.164 0.000 2.072 511 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 511 E C 2.510 179.138 176.600 0.047 0.000 0.985 511 E CA 0.979 57.355 56.400 -0.040 0.000 0.801 511 E CB -0.090 29.428 29.700 -0.304 0.000 0.750 511 E HN 0.240 nan 8.360 nan 0.000 0.452 512 R N 0.459 121.016 120.500 0.096 0.000 2.120 512 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 512 R C 2.001 178.426 176.300 0.207 0.000 1.123 512 R CA 1.335 57.489 56.100 0.090 0.000 0.975 512 R CB -0.384 30.017 30.300 0.169 0.000 0.866 512 R HN 0.319 nan 8.270 nan 0.000 0.446 513 L N -1.377 119.955 121.223 0.182 0.000 2.375 513 L HA 0.005 4.345 4.340 -0.000 0.000 0.215 513 L C 2.096 179.119 176.870 0.255 0.000 1.108 513 L CA 0.366 55.408 54.840 0.337 0.000 0.830 513 L CB -0.350 41.810 42.059 0.168 0.000 0.959 513 L HN 0.340 nan 8.230 nan 0.000 0.457 514 W N 0.504 121.792 121.300 -0.019 0.000 2.644 514 W HA 0.152 4.812 4.660 -0.000 0.000 0.279 514 W C 0.887 177.348 176.519 -0.097 0.000 1.164 514 W CA 0.167 57.475 57.345 -0.062 0.000 1.457 514 W CB 0.092 29.492 29.460 -0.100 0.000 1.087 514 W HN -0.112 nan 8.180 nan 0.000 0.573 515 S N 1.591 117.400 115.700 0.182 0.000 2.600 515 S HA 0.151 4.621 4.470 -0.000 0.000 0.265 515 S C 0.292 174.850 174.600 -0.070 0.000 1.325 515 S CA -0.422 57.822 58.200 0.073 0.000 1.002 515 S CB 1.251 64.471 63.200 0.033 0.000 0.921 515 S HN 0.032 nan 8.310 nan 0.000 0.554 516 S N 1.433 117.086 115.700 -0.078 0.000 2.559 516 S HA -0.006 4.464 4.470 -0.000 0.000 0.282 516 S C 1.504 176.056 174.600 -0.079 0.000 1.336 516 S CA -0.347 57.790 58.200 -0.105 0.000 1.037 516 S CB 0.306 63.461 63.200 -0.075 0.000 0.853 516 S HN 0.753 nan 8.310 nan 0.000 0.523 517 K N 1.240 121.587 120.400 -0.088 0.000 2.160 517 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 517 K C 0.384 176.964 176.600 -0.032 0.000 1.047 517 K CA 1.606 57.863 56.287 -0.050 0.000 0.930 517 K CB -0.065 32.403 32.500 -0.053 0.000 0.720 517 K HN 0.525 nan 8.250 nan 0.000 0.450 518 D N 0.508 120.890 120.400 -0.031 0.000 2.349 518 D HA -0.009 4.631 4.640 -0.000 0.000 0.224 518 D C -0.230 176.075 176.300 0.008 0.000 1.029 518 D CA 0.254 54.247 54.000 -0.010 0.000 0.879 518 D CB 0.397 41.191 40.800 -0.011 0.000 0.906 518 D HN -0.042 nan 8.370 nan 0.000 0.528 519 V N 1.760 121.675 119.914 0.000 0.000 2.352 519 V HA 0.146 4.266 4.120 -0.000 0.000 0.253 519 V C 1.184 177.317 176.094 0.065 0.000 1.083 519 V CA 0.355 62.677 62.300 0.037 0.000 0.993 519 V CB 0.047 31.880 31.823 0.017 0.000 1.111 519 V HN 0.027 nan 8.190 nan 0.000 0.490 520 R N 1.613 122.190 120.500 0.129 0.000 2.526 520 R HA 0.153 4.493 4.340 -0.000 0.000 0.346 520 R C -0.083 176.390 176.300 0.289 0.000 0.926 520 R CA -0.493 55.724 56.100 0.196 0.000 1.147 520 R CB 0.654 31.009 30.300 0.091 0.000 1.629 520 R HN 0.655 nan 8.270 nan 0.000 0.516 521 D N 1.076 121.622 120.400 0.242 0.000 2.401 521 D HA 0.007 4.647 4.640 -0.000 0.000 0.254 521 D C 1.395 177.852 176.300 0.261 0.000 1.192 521 D CA 0.145 54.267 54.000 0.204 0.000 0.885 521 D CB 0.855 41.742 40.800 0.146 0.000 1.147 521 D HN -0.174 nan 8.370 nan 0.000 0.478 522 M N 2.456 122.191 119.600 0.224 0.000 2.175 522 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 522 M C 1.154 177.601 176.300 0.246 0.000 1.063 522 M CA 1.179 56.615 55.300 0.227 0.000 1.119 522 M CB -0.546 32.127 32.600 0.121 0.000 1.377 522 M HN 0.532 nan 8.290 nan 0.000 0.415 523 D N 0.214 120.721 120.400 0.178 0.000 2.117 523 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 523 D C 1.515 177.946 176.300 0.218 0.000 0.982 523 D CA 1.396 55.506 54.000 0.182 0.000 0.828 523 D CB -0.237 40.630 40.800 0.112 0.000 0.967 523 D HN 0.407 nan 8.370 nan 0.000 0.464 524 D N 0.662 121.171 120.400 0.181 0.000 2.178 524 D HA -0.055 4.585 4.640 -0.000 0.000 0.202 524 D C 2.010 178.427 176.300 0.195 0.000 0.974 524 D CA 1.197 55.293 54.000 0.159 0.000 0.841 524 D CB 0.087 40.965 40.800 0.130 0.000 0.953 524 D HN 0.065 nan 8.370 nan 0.000 0.478 525 A N -0.474 122.493 122.820 0.244 0.000 1.873 525 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 525 A C 2.215 179.919 177.584 0.200 0.000 1.186 525 A CA 1.487 53.682 52.037 0.263 0.000 0.616 525 A CB -1.378 17.655 19.000 0.056 0.000 0.823 525 A HN 0.493 nan 8.150 nan 0.000 0.442 526 Y N 1.262 121.650 120.300 0.147 0.000 2.207 526 Y HA -0.238 4.312 4.550 -0.000 0.000 0.287 526 Y C 1.795 177.657 175.900 -0.064 0.000 1.156 526 Y CA 2.075 60.178 58.100 0.006 0.000 1.182 526 Y CB -0.206 38.379 38.460 0.209 0.000 0.979 526 Y HN 0.361 nan 8.280 nan 0.000 0.521 527 D N -0.263 120.148 120.400 0.018 0.000 2.117 527 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 527 D C 2.248 178.470 176.300 -0.130 0.000 0.987 527 D CA 1.501 55.455 54.000 -0.077 0.000 0.829 527 D CB -0.223 40.604 40.800 0.045 0.000 0.961 527 D HN 0.385 nan 8.370 nan 0.000 0.460 528 R N -0.061 120.432 120.500 -0.013 0.000 2.093 528 R HA 0.116 4.456 4.340 -0.000 0.000 0.224 528 R C 2.412 178.678 176.300 -0.057 0.000 1.101 528 R CA 0.177 56.315 56.100 0.062 0.000 0.979 528 R CB -0.176 30.279 30.300 0.258 0.000 0.877 528 R HN 0.161 nan 8.270 nan 0.000 0.441 529 L N 0.390 121.424 121.223 -0.316 0.000 2.056 529 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 529 L C 1.882 178.380 176.870 -0.621 0.000 1.078 529 L CA 1.506 55.845 54.840 -0.835 0.000 0.749 529 L CB -0.371 40.929 42.059 -1.265 0.000 0.901 529 L HN 0.249 nan 8.230 nan 0.000 0.433 530 T N -0.352 113.826 114.554 -0.627 0.000 2.665 530 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 530 T C 1.915 176.390 174.700 -0.375 0.000 1.035 530 T CA 1.427 63.190 62.100 -0.562 0.000 1.151 530 T CB -0.074 68.371 68.868 -0.705 0.000 0.862 530 T HN 0.362 nan 8.240 nan 0.000 0.438 531 R N -0.491 119.831 120.500 -0.297 0.000 2.093 531 R HA -0.023 4.317 4.340 -0.000 0.000 0.224 531 R C 2.365 178.564 176.300 -0.168 0.000 1.101 531 R CA 1.188 57.161 56.100 -0.212 0.000 0.979 531 R CB -0.417 29.788 30.300 -0.159 0.000 0.877 531 R HN 0.479 nan 8.270 nan 0.000 0.441 532 H N 1.339 120.248 119.070 -0.268 0.000 2.387 532 H HA -0.034 4.522 4.556 -0.000 0.000 0.299 532 H C 2.177 177.334 175.328 -0.285 0.000 1.090 532 H CA 1.518 57.413 56.048 -0.254 0.000 1.332 532 H CB 0.030 29.610 29.762 -0.304 0.000 1.386 532 H HN -0.079 nan 8.280 nan 0.000 0.516 533 R N 0.034 120.303 120.500 -0.385 0.000 2.081 533 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 533 R C 2.114 178.242 176.300 -0.287 0.000 1.131 533 R CA 1.526 57.408 56.100 -0.364 0.000 0.960 533 R CB -1.056 29.060 30.300 -0.307 0.000 0.856 533 R HN 0.467 nan 8.270 nan 0.000 0.436 534 c N 0.386 118.835 118.600 -0.252 0.000 2.425 534 c HA -0.012 4.558 4.570 -0.000 0.000 0.277 534 c C 2.881 176.855 174.090 -0.193 0.000 1.280 534 c CA 0.827 57.042 56.329 -0.191 0.000 1.744 534 c CB -1.074 41.319 42.510 -0.193 0.000 1.989 534 c HN 0.538 nan 8.230 nan 0.000 0.491 535 R N 0.566 120.915 120.500 -0.251 0.000 2.081 535 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 535 R C 2.172 178.252 176.300 -0.367 0.000 1.131 535 R CA 1.653 57.583 56.100 -0.283 0.000 0.960 535 R CB -0.329 29.797 30.300 -0.290 0.000 0.856 535 R HN 0.465 nan 8.270 nan 0.000 0.436 536 M N 0.092 119.433 119.600 -0.431 0.000 2.117 536 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 536 M C 2.278 178.444 176.300 -0.223 0.000 1.065 536 M CA 1.453 56.523 55.300 -0.383 0.000 1.114 536 M CB -0.079 32.288 32.600 -0.388 0.000 1.361 536 M HN 0.052 nan 8.290 nan 0.000 0.408 537 V N 0.440 120.252 119.914 -0.170 0.000 2.332 537 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 537 V C 1.989 178.034 176.094 -0.081 0.000 1.055 537 V CA 1.962 64.210 62.300 -0.087 0.000 1.038 537 V CB -0.734 31.068 31.823 -0.035 0.000 0.651 537 V HN 0.488 nan 8.190 nan 0.000 0.450 538 E N -0.239 119.901 120.200 -0.100 0.000 2.153 538 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 538 E C 2.108 178.656 176.600 -0.086 0.000 0.988 538 E CA 0.843 57.193 56.400 -0.085 0.000 0.811 538 E CB -0.103 29.543 29.700 -0.090 0.000 0.746 538 E HN 0.533 nan 8.360 nan 0.000 0.466 539 R N -0.576 119.836 120.500 -0.147 0.000 2.335 539 R HA 0.097 4.437 4.340 -0.000 0.000 0.223 539 R C 0.786 177.103 176.300 0.030 0.000 0.940 539 R CA 0.500 56.541 56.100 -0.099 0.000 1.086 539 R CB 0.605 30.643 30.300 -0.437 0.000 1.073 539 R HN 0.226 nan 8.270 nan 0.000 0.504 540 G N 1.070 109.868 108.800 -0.003 0.000 2.141 540 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.242 540 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.242 540 G C 0.030 174.936 174.900 0.011 0.000 0.982 540 G CA -0.459 44.652 45.100 0.017 0.000 0.662 540 G HN 0.170 nan 8.290 nan 0.000 0.527 541 I N 1.392 121.954 120.570 -0.013 0.000 2.307 541 I HA 0.549 4.719 4.170 -0.000 0.000 0.289 541 I C 1.087 177.188 176.117 -0.026 0.000 1.021 541 I CA -0.634 60.643 61.300 -0.039 0.000 1.224 541 I CB 0.880 38.807 38.000 -0.122 0.000 1.376 541 I HN 0.291 nan 8.210 nan 0.000 0.470 542 A N 6.062 128.890 122.820 0.014 0.000 3.046 542 A HA 0.461 4.781 4.320 -0.000 0.000 0.259 542 A C 1.010 178.628 177.584 0.057 0.000 1.843 542 A CA -0.293 51.761 52.037 0.027 0.000 1.451 542 A CB -0.753 18.266 19.000 0.033 0.000 1.025 542 A HN 0.780 nan 8.150 nan 0.000 0.625 543 A N 1.514 124.359 122.820 0.041 0.000 2.440 543 A HA 0.458 4.778 4.320 -0.000 0.000 0.251 543 A C 0.701 178.306 177.584 0.035 0.000 1.089 543 A CA -0.360 51.725 52.037 0.080 0.000 0.779 543 A CB 0.089 19.107 19.000 0.029 0.000 1.022 543 A HN 0.871 nan 8.150 nan 0.000 0.492 544 Q N 3.146 122.975 119.800 0.049 0.000 2.382 544 Q HA 0.474 4.814 4.340 -0.000 0.000 0.229 544 Q C -2.420 173.581 176.000 0.000 0.000 1.006 544 Q CA -1.719 54.101 55.803 0.029 0.000 0.916 544 Q CB 0.188 28.954 28.738 0.046 0.000 1.235 544 Q HN 0.506 nan 8.270 nan 0.000 0.512 545 P HA -0.003 nan 4.420 nan 0.000 0.272 545 P C 0.032 177.346 177.300 0.023 0.000 1.230 545 P CA -0.103 62.990 63.100 -0.011 0.000 0.788 545 P CB 0.919 32.619 31.700 -0.001 0.000 0.949 546 L N 0.206 121.439 121.223 0.017 0.000 2.249 546 L HA 0.100 4.440 4.340 -0.000 0.000 0.207 546 L C 0.822 177.910 176.870 0.362 0.000 1.090 546 L CA 1.290 56.203 54.840 0.122 0.000 0.802 546 L CB -0.171 41.876 42.059 -0.020 0.000 0.947 546 L HN 0.462 nan 8.230 nan 0.000 0.453 547 Y N -1.578 118.805 120.300 0.139 0.000 2.930 547 Y HA 0.496 5.046 4.550 -0.000 0.000 0.336 547 Y C -0.730 175.231 175.900 0.101 0.000 1.416 547 Y CA -1.264 56.921 58.100 0.142 0.000 1.091 547 Y CB 0.566 39.163 38.460 0.227 0.000 1.631 547 Y HN -0.171 nan 8.280 nan 0.000 0.436 548 A N 1.394 123.738 122.820 -0.793 0.000 2.507 548 A HA 0.533 4.853 4.320 -0.000 0.000 0.235 548 A C 0.645 178.168 177.584 -0.101 0.000 1.070 548 A CA 1.417 53.187 52.037 -0.445 0.000 0.768 548 A CB -0.987 17.657 19.000 -0.595 0.000 1.011 548 A HN 2.007 nan 8.150 nan 0.000 0.502 549 G N -0.467 108.320 108.800 -0.022 0.000 2.339 549 G HA2 0.530 4.490 3.960 -0.000 0.000 0.275 549 G HA3 0.530 4.490 3.960 -0.000 0.000 0.275 549 G C -0.888 174.097 174.900 0.141 0.000 1.323 549 G CA 0.091 45.239 45.100 0.080 0.000 0.927 549 G HN 2.245 nan 8.290 nan 0.000 0.486 550 Y N -2.611 117.633 120.300 -0.093 0.000 2.725 550 Y HA 0.761 5.311 4.550 -0.000 0.000 0.333 550 Y C -0.640 175.159 175.900 -0.168 0.000 1.242 550 Y CA -1.474 56.544 58.100 -0.137 0.000 1.059 550 Y CB 0.912 39.289 38.460 -0.138 0.000 1.306 550 Y HN 0.871 nan 8.280 nan 0.000 0.454 551 c N 1.896 120.327 118.600 -0.281 0.000 2.455 551 c HA 0.339 4.909 4.570 -0.000 0.000 0.320 551 c C 0.294 174.198 174.090 -0.310 0.000 1.226 551 c CA -0.865 55.230 56.329 -0.390 0.000 1.569 551 c CB 1.120 43.474 42.510 -0.259 0.000 2.200 551 c HN 0.859 nan 8.230 nan 0.000 0.491 552 N N 1.736 120.282 118.700 -0.257 0.000 2.947 552 N HA -0.095 4.645 4.740 -0.000 0.000 0.289 552 N C 0.797 176.321 175.510 0.024 0.000 1.364 552 N CA 0.630 53.639 53.050 -0.068 0.000 1.062 552 N CB -0.316 38.121 38.487 -0.083 0.000 1.388 552 N HN 0.900 nan 8.380 nan 0.000 0.560 553 H N -2.654 116.439 119.070 0.038 0.000 2.067 553 H HA 0.464 5.020 4.556 -0.000 0.000 0.220 553 H C 0.551 175.900 175.328 0.035 0.000 0.883 553 H CA 0.817 56.876 56.048 0.018 0.000 1.042 553 H CB 0.424 30.183 29.762 -0.005 0.000 1.305 553 H HN 0.067 nan 8.280 nan 0.000 0.430 554 E N 0.000 120.257 120.200 0.095 0.000 2.725 554 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 554 E CA 0.000 nan 56.400 nan 0.000 0.976 554 E CB 0.000 nan 29.700 nan 0.000 0.812 554 E HN 0.000 nan 8.360 nan 0.000 0.440