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 3e2q_1_A DATA FIRST_RESID 88 DATA SEQUENCE QSVSRAAITA AYRRPETEAV SMLLEQARLP QPVAEQAHKL AYQLADKLRN DATA SEQUENCE QKNASGRAGM VQGLLQEFSL SSQEGVALMC LAEALLRIPD KATRDALXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXGEPLIRKG VDMAMRLMGE QFVTGETIAE ALANARKLEE KGFRYSYDML DATA SEQUENCE GEAALTAADA QAYMVSYQQA IHAIGKASNG RGIYEGPGIS IKLSALHPRY DATA SEQUENCE SRAQYDRVME ELYPRLKSLT LLARQYDIGI NIDAEESDRL EISLDLLEKL DATA SEQUENCE CFEPELAGWN GIGFVIQAYQ KRCPLVIDYL IDLATRSRRR LMIRLVKGAY DATA SEQUENCE WDSEIKRAQM DGLEGYPVYT RKVYTDVSYL ACAKKLLAVP NLIYPQFATH DATA SEQUENCE NAHTLAAIYQ LAGQNYYPGQ YEFQCLHGMG EPLYEQVTGK VADGKLNRPC DATA SEQUENCE RISAPVGTHE TLLAYLVRRL LENGANTSFV NRIADTSLPL DELVADPVTA DATA SEQUENCE VEKLAQQEGQ TGLPHPKIPL PRD 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 88 Q HA 0.000 nan 4.340 nan 0.000 0.214 88 Q C 0.000 175.992 176.000 -0.014 0.000 1.003 88 Q CA 0.000 55.783 55.803 -0.032 0.000 1.022 88 Q CB 0.000 28.714 28.738 -0.039 0.000 1.108 89 S N -0.662 115.037 115.700 -0.001 0.000 2.587 89 S HA 0.165 4.635 4.470 0.000 0.000 0.260 89 S C 1.226 175.842 174.600 0.026 0.000 1.353 89 S CA -0.272 57.942 58.200 0.023 0.000 0.995 89 S CB 0.585 63.822 63.200 0.061 0.000 0.912 89 S HN 0.455 nan 8.310 nan 0.000 0.568 90 V N 2.014 121.949 119.914 0.034 0.000 2.287 90 V HA -0.210 3.910 4.120 0.000 0.000 0.248 90 V C 3.021 179.142 176.094 0.046 0.000 1.053 90 V CA 2.516 64.836 62.300 0.033 0.000 1.027 90 V CB -1.664 30.179 31.823 0.033 0.000 0.646 90 V HN 1.081 nan 8.190 nan 0.000 0.447 91 S N -0.047 115.700 115.700 0.078 0.000 2.383 91 S HA -0.161 4.309 4.470 0.000 0.000 0.227 91 S C 2.064 176.707 174.600 0.073 0.000 1.026 91 S CA 0.736 59.002 58.200 0.110 0.000 0.981 91 S CB -0.383 62.932 63.200 0.193 0.000 0.818 91 S HN 0.434 nan 8.310 nan 0.000 0.472 92 R N 1.865 122.382 120.500 0.028 0.000 2.092 92 R HA 0.223 4.564 4.340 0.000 0.000 0.231 92 R C 2.679 178.947 176.300 -0.053 0.000 1.119 92 R CA 1.303 57.351 56.100 -0.087 0.000 0.970 92 R CB -1.545 28.676 30.300 -0.131 0.000 0.864 92 R HN 0.595 nan 8.270 nan 0.000 0.440 93 A N 1.172 123.981 122.820 -0.019 0.000 1.933 93 A HA -0.064 4.256 4.320 0.000 0.000 0.218 93 A C 2.360 179.945 177.584 0.001 0.000 1.175 93 A CA 1.781 53.812 52.037 -0.010 0.000 0.628 93 A CB -0.512 18.487 19.000 -0.001 0.000 0.814 93 A HN 0.328 nan 8.150 nan 0.000 0.444 94 A N -0.163 122.664 122.820 0.012 0.000 1.930 94 A HA -0.038 4.282 4.320 0.000 0.000 0.217 94 A C 2.092 179.687 177.584 0.017 0.000 1.175 94 A CA 1.392 53.442 52.037 0.022 0.000 0.627 94 A CB -0.561 18.460 19.000 0.035 0.000 0.815 94 A HN 0.503 nan 8.150 nan 0.000 0.443 95 I N -0.496 120.073 120.570 -0.002 0.000 2.142 95 I HA -0.238 3.933 4.170 0.000 0.000 0.240 95 I C 2.614 178.709 176.117 -0.038 0.000 1.078 95 I CA 1.825 63.108 61.300 -0.027 0.000 1.343 95 I CB -0.713 37.243 38.000 -0.074 0.000 1.046 95 I HN 0.246 nan 8.210 nan 0.000 0.405 96 T N 0.820 115.354 114.554 -0.033 0.000 2.720 96 T HA -0.190 4.160 4.350 0.000 0.000 0.268 96 T C 1.952 176.694 174.700 0.071 0.000 1.037 96 T CA 1.542 63.646 62.100 0.008 0.000 1.144 96 T CB -0.352 68.521 68.868 0.008 0.000 0.864 96 T HN 0.493 nan 8.240 nan 0.000 0.444 97 A N 0.861 123.708 122.820 0.045 0.000 2.121 97 A HA 0.345 4.665 4.320 0.000 0.000 0.218 97 A C 2.315 179.939 177.584 0.067 0.000 1.154 97 A CA 1.382 53.450 52.037 0.052 0.000 0.679 97 A CB -0.548 18.471 19.000 0.033 0.000 0.795 97 A HN 0.501 nan 8.150 nan 0.000 0.458 98 A N -2.408 120.453 122.820 0.069 0.000 2.308 98 A HA 0.243 4.563 4.320 0.000 0.000 0.217 98 A C 1.554 179.208 177.584 0.117 0.000 1.216 98 A CA 0.231 52.312 52.037 0.073 0.000 0.864 98 A CB -0.663 18.371 19.000 0.056 0.000 0.902 98 A HN 0.615 nan 8.150 nan 0.000 0.499 99 Y N 0.665 120.957 120.300 -0.013 0.000 2.029 99 Y HA -0.302 4.249 4.550 0.001 0.000 0.269 99 Y C 1.546 177.423 175.900 -0.039 0.000 1.201 99 Y CA 1.771 59.857 58.100 -0.024 0.000 1.115 99 Y CB 0.102 38.544 38.460 -0.029 0.000 0.945 99 Y HN 0.264 nan 8.280 nan 0.000 0.497 100 R N 0.257 120.852 120.500 0.159 0.000 2.698 100 R HA 0.158 4.498 4.340 0.000 0.000 0.422 100 R C -0.673 175.635 176.300 0.013 0.000 1.073 100 R CA -0.393 55.722 56.100 0.026 0.000 1.054 100 R CB 0.473 30.707 30.300 -0.111 0.000 1.373 100 R HN 0.245 nan 8.270 nan 0.000 0.593 101 R N 0.246 120.768 120.500 0.036 0.000 2.643 101 R HA 0.235 4.575 4.340 0.000 0.000 0.270 101 R C -2.385 173.937 176.300 0.037 0.000 1.061 101 R CA -1.441 54.679 56.100 0.033 0.000 1.107 101 R CB -0.263 30.064 30.300 0.044 0.000 0.999 101 R HN -0.221 nan 8.270 nan 0.000 0.460 102 P HA -0.095 nan 4.420 nan 0.000 0.265 102 P C -0.163 177.183 177.300 0.075 0.000 1.187 102 P CA 0.230 63.363 63.100 0.054 0.000 0.766 102 P CB 0.573 32.298 31.700 0.041 0.000 0.820 103 E N 0.919 121.183 120.200 0.108 0.000 2.106 103 E HA -0.163 4.187 4.350 0.000 0.000 0.192 103 E C 1.660 178.279 176.600 0.032 0.000 0.984 103 E CA 1.843 58.321 56.400 0.131 0.000 0.806 103 E CB -0.272 29.556 29.700 0.214 0.000 0.750 103 E HN 0.636 nan 8.360 nan 0.000 0.458 104 T N -0.582 113.988 114.554 0.026 0.000 2.720 104 T HA -0.248 4.103 4.350 0.000 0.000 0.268 104 T C 1.861 176.555 174.700 -0.011 0.000 1.037 104 T CA 1.585 63.678 62.100 -0.011 0.000 1.144 104 T CB -0.271 68.607 68.868 0.016 0.000 0.864 104 T HN 0.200 nan 8.240 nan 0.000 0.444 105 E N 1.567 121.779 120.200 0.019 0.000 2.028 105 E HA -0.027 4.323 4.350 0.000 0.000 0.191 105 E C 2.539 179.162 176.600 0.038 0.000 0.988 105 E CA 0.879 57.294 56.400 0.025 0.000 0.799 105 E CB -0.468 29.252 29.700 0.033 0.000 0.755 105 E HN 0.582 nan 8.360 nan 0.000 0.447 106 A N 0.634 123.498 122.820 0.074 0.000 1.883 106 A HA -0.156 4.164 4.320 0.000 0.000 0.217 106 A C 2.421 180.067 177.584 0.102 0.000 1.186 106 A CA 1.684 53.804 52.037 0.139 0.000 0.624 106 A CB -0.794 18.355 19.000 0.248 0.000 0.822 106 A HN 0.243 nan 8.150 nan 0.000 0.444 107 V N -0.231 119.684 119.914 0.001 0.000 2.358 107 V HA -0.192 3.928 4.120 0.000 0.000 0.246 107 V C 2.754 178.786 176.094 -0.104 0.000 1.047 107 V CA 2.222 64.418 62.300 -0.172 0.000 1.035 107 V CB -0.770 30.740 31.823 -0.522 0.000 0.658 107 V HN 0.551 nan 8.190 nan 0.000 0.452 108 S N -0.357 115.302 115.700 -0.068 0.000 2.400 108 S HA -0.183 4.287 4.470 0.000 0.000 0.232 108 S C 1.909 176.503 174.600 -0.010 0.000 1.025 108 S CA 1.741 59.920 58.200 -0.035 0.000 0.993 108 S CB -0.329 62.860 63.200 -0.019 0.000 0.808 108 S HN 0.497 nan 8.310 nan 0.000 0.478 109 M N 0.457 120.061 119.600 0.007 0.000 2.254 109 M HA 0.042 4.523 4.480 0.000 0.000 0.265 109 M C 1.605 177.920 176.300 0.024 0.000 1.066 109 M CA 1.103 56.416 55.300 0.022 0.000 1.123 109 M CB -0.384 32.240 32.600 0.040 0.000 1.388 109 M HN 0.253 nan 8.290 nan 0.000 0.425 110 L N -0.774 120.459 121.223 0.018 0.000 2.341 110 L HA -0.107 4.233 4.340 0.000 0.000 0.214 110 L C 2.272 179.147 176.870 0.008 0.000 1.115 110 L CA 0.001 54.852 54.840 0.020 0.000 0.820 110 L CB -0.507 41.556 42.059 0.007 0.000 0.944 110 L HN 0.225 nan 8.230 nan 0.000 0.452 111 L N 0.212 121.432 121.223 -0.004 0.000 1.989 111 L HA -0.212 4.128 4.340 0.000 0.000 0.211 111 L C 2.612 179.487 176.870 0.009 0.000 1.071 111 L CA 1.884 56.723 54.840 -0.002 0.000 0.749 111 L CB -0.543 41.511 42.059 -0.008 0.000 0.890 111 L HN 0.213 nan 8.230 nan 0.000 0.431 112 E N -0.718 119.488 120.200 0.009 0.000 2.208 112 E HA -0.163 4.188 4.350 0.000 0.000 0.193 112 E C 2.090 178.698 176.600 0.014 0.000 0.988 112 E CA 0.721 57.127 56.400 0.011 0.000 0.828 112 E CB -0.150 29.556 29.700 0.010 0.000 0.763 112 E HN 0.688 nan 8.360 nan 0.000 0.478 113 Q N 0.121 119.931 119.800 0.017 0.000 2.230 113 Q HA 0.039 4.379 4.340 0.000 0.000 0.202 113 Q C 1.901 177.913 176.000 0.020 0.000 0.963 113 Q CA 1.242 57.056 55.803 0.018 0.000 0.866 113 Q CB -0.007 28.746 28.738 0.024 0.000 0.931 113 Q HN 0.164 nan 8.270 nan 0.000 0.452 114 A N 1.214 124.048 122.820 0.024 0.000 2.081 114 A HA 0.001 4.321 4.320 0.000 0.000 0.214 114 A C 1.145 178.748 177.584 0.033 0.000 1.158 114 A CA -0.281 51.775 52.037 0.032 0.000 0.724 114 A CB -0.059 18.965 19.000 0.039 0.000 0.826 114 A HN 0.118 nan 8.150 nan 0.000 0.463 115 R N 0.575 121.090 120.500 0.025 0.000 2.458 115 R HA 0.211 4.551 4.340 0.000 0.000 0.303 115 R C -1.204 175.110 176.300 0.025 0.000 1.013 115 R CA -0.241 55.875 56.100 0.026 0.000 1.026 115 R CB -0.030 30.280 30.300 0.018 0.000 0.948 115 R HN 0.192 nan 8.270 nan 0.000 0.417 116 L N 8.110 129.354 121.223 0.035 0.000 2.331 116 L HA 0.277 4.617 4.340 0.000 0.000 0.278 116 L C -1.844 175.040 176.870 0.022 0.000 1.106 116 L CA -1.599 53.258 54.840 0.029 0.000 0.824 116 L CB 0.938 43.025 42.059 0.046 0.000 1.142 116 L HN 0.623 nan 8.230 nan 0.000 0.443 117 P HA 0.027 nan 4.420 nan 0.000 0.264 117 P C 0.673 177.981 177.300 0.014 0.000 1.183 117 P CA 0.397 63.503 63.100 0.011 0.000 0.763 117 P CB 0.505 32.209 31.700 0.006 0.000 0.807 118 Q N 5.071 124.877 119.800 0.011 0.000 2.142 118 Q HA -0.233 4.107 4.340 0.000 0.000 0.213 118 Q C -0.586 175.423 176.000 0.015 0.000 1.004 118 Q CA 2.799 58.608 55.803 0.010 0.000 0.883 118 Q CB -3.156 25.585 28.738 0.004 0.000 0.939 118 Q HN 0.541 nan 8.270 nan 0.000 0.413 119 P HA -0.105 nan 4.420 nan 0.000 0.214 119 P C 1.618 178.934 177.300 0.025 0.000 1.163 119 P CA 1.499 64.609 63.100 0.017 0.000 0.883 119 P CB -0.249 31.459 31.700 0.013 0.000 0.788 120 V N 0.300 120.227 119.914 0.022 0.000 2.332 120 V HA -0.277 3.843 4.120 0.000 0.000 0.248 120 V C 2.520 178.638 176.094 0.040 0.000 1.055 120 V CA 2.260 64.574 62.300 0.024 0.000 1.038 120 V CB -1.803 30.025 31.823 0.009 0.000 0.651 120 V HN 0.104 nan 8.190 nan 0.000 0.450 121 A N -0.051 122.796 122.820 0.047 0.000 1.908 121 A HA -0.254 4.067 4.320 0.000 0.000 0.218 121 A C 2.341 179.985 177.584 0.100 0.000 1.181 121 A CA 2.531 54.614 52.037 0.077 0.000 0.627 121 A CB -0.806 18.231 19.000 0.062 0.000 0.818 121 A HN 0.638 nan 8.150 nan 0.000 0.445 122 E N -0.906 119.336 120.200 0.070 0.000 2.047 122 E HA -0.235 4.115 4.350 0.000 0.000 0.191 122 E C 2.013 178.680 176.600 0.110 0.000 0.987 122 E CA 1.551 58.001 56.400 0.082 0.000 0.799 122 E CB -0.675 29.050 29.700 0.042 0.000 0.752 122 E HN 0.636 nan 8.360 nan 0.000 0.449 123 Q N -0.485 119.362 119.800 0.078 0.000 2.119 123 Q HA 0.041 4.381 4.340 0.000 0.000 0.201 123 Q C 2.531 178.574 176.000 0.072 0.000 0.972 123 Q CA 1.595 57.442 55.803 0.073 0.000 0.847 123 Q CB -0.613 28.167 28.738 0.071 0.000 0.903 123 Q HN 0.611 nan 8.270 nan 0.000 0.433 124 A N 0.228 123.089 122.820 0.068 0.000 1.877 124 A HA -0.251 4.069 4.320 0.000 0.000 0.216 124 A C 1.988 179.607 177.584 0.057 0.000 1.186 124 A CA 1.994 54.041 52.037 0.016 0.000 0.620 124 A CB -0.883 18.095 19.000 -0.037 0.000 0.822 124 A HN 0.507 nan 8.150 nan 0.000 0.443 125 H N -0.003 119.108 119.070 0.068 0.000 2.319 125 H HA -0.090 4.466 4.556 0.000 0.000 0.299 125 H C 1.990 177.374 175.328 0.094 0.000 1.092 125 H CA 2.309 58.425 56.048 0.113 0.000 1.302 125 H CB -0.098 29.717 29.762 0.089 0.000 1.373 125 H HN 0.449 nan 8.280 nan 0.000 0.497 126 K N -0.459 119.958 120.400 0.027 0.000 2.057 126 K HA -0.128 4.192 4.320 0.000 0.000 0.207 126 K C 2.177 178.752 176.600 -0.043 0.000 1.049 126 K CA 1.330 57.594 56.287 -0.039 0.000 0.931 126 K CB -0.248 32.261 32.500 0.015 0.000 0.714 126 K HN 0.214 nan 8.250 nan 0.000 0.440 127 L N 1.141 122.336 121.223 -0.046 0.000 2.027 127 L HA -0.079 4.261 4.340 0.000 0.000 0.206 127 L C 2.227 179.028 176.870 -0.115 0.000 1.074 127 L CA 1.821 56.603 54.840 -0.097 0.000 0.745 127 L CB -0.812 41.164 42.059 -0.139 0.000 0.898 127 L HN 0.118 nan 8.230 nan 0.000 0.433 128 A N -1.204 121.551 122.820 -0.108 0.000 1.883 128 A HA -0.326 3.994 4.320 0.000 0.000 0.217 128 A C 2.359 179.905 177.584 -0.064 0.000 1.186 128 A CA 2.059 54.038 52.037 -0.098 0.000 0.624 128 A CB -1.393 17.594 19.000 -0.023 0.000 0.822 128 A HN 0.651 nan 8.150 nan 0.000 0.444 129 Y N 0.308 120.473 120.300 -0.225 0.000 2.128 129 Y HA -0.246 4.304 4.550 0.000 0.000 0.284 129 Y C 3.128 178.949 175.900 -0.130 0.000 1.154 129 Y CA 3.375 61.349 58.100 -0.210 0.000 1.149 129 Y CB -0.676 37.582 38.460 -0.336 0.000 0.976 129 Y HN 0.467 nan 8.280 nan 0.000 0.505 130 Q N 0.585 120.438 119.800 0.088 0.000 2.050 130 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 130 Q C 2.264 178.218 176.000 -0.077 0.000 0.980 130 Q CA 2.131 57.949 55.803 0.024 0.000 0.840 130 Q CB -1.279 27.460 28.738 0.001 0.000 0.898 130 Q HN 0.721 nan 8.270 nan 0.000 0.424 131 L N 0.018 121.172 121.223 -0.114 0.000 2.012 131 L HA -0.145 4.195 4.340 0.000 0.000 0.210 131 L C 3.046 179.850 176.870 -0.111 0.000 1.073 131 L CA 1.237 55.993 54.840 -0.141 0.000 0.748 131 L CB -0.540 41.398 42.059 -0.202 0.000 0.891 131 L HN 0.538 nan 8.230 nan 0.000 0.431 132 A N -0.406 122.354 122.820 -0.101 0.000 1.898 132 A HA -0.256 4.064 4.320 0.000 0.000 0.216 132 A C 1.982 179.462 177.584 -0.174 0.000 1.181 132 A CA 1.933 53.925 52.037 -0.076 0.000 0.620 132 A CB -0.569 18.399 19.000 -0.053 0.000 0.819 132 A HN 0.423 nan 8.150 nan 0.000 0.442 133 D N -0.273 119.969 120.400 -0.263 0.000 2.097 133 D HA -0.137 4.503 4.640 0.000 0.000 0.195 133 D C 1.916 178.136 176.300 -0.133 0.000 0.989 133 D CA 1.541 55.390 54.000 -0.252 0.000 0.827 133 D CB -0.157 40.482 40.800 -0.268 0.000 0.966 133 D HN 0.434 nan 8.370 nan 0.000 0.456 134 K N -0.566 119.773 120.400 -0.101 0.000 2.097 134 K HA -0.125 4.195 4.320 0.000 0.000 0.206 134 K C 2.007 178.566 176.600 -0.069 0.000 1.049 134 K CA 0.471 56.715 56.287 -0.071 0.000 0.933 134 K CB -0.107 32.355 32.500 -0.064 0.000 0.717 134 K HN 0.147 nan 8.250 nan 0.000 0.442 135 L N 1.249 122.426 121.223 -0.076 0.000 2.027 135 L HA -0.097 4.243 4.340 0.000 0.000 0.206 135 L C 2.341 179.169 176.870 -0.071 0.000 1.074 135 L CA 1.588 56.391 54.840 -0.062 0.000 0.745 135 L CB -0.367 41.667 42.059 -0.042 0.000 0.898 135 L HN 0.026 nan 8.230 nan 0.000 0.433 136 R N -0.824 119.619 120.500 -0.094 0.000 2.115 136 R HA -0.130 4.210 4.340 0.000 0.000 0.230 136 R C 1.111 177.362 176.300 -0.080 0.000 1.111 136 R CA 1.317 57.356 56.100 -0.101 0.000 0.976 136 R CB -0.068 30.152 30.300 -0.133 0.000 0.870 136 R HN 0.331 nan 8.270 nan 0.000 0.445 137 N N 0.073 118.729 118.700 -0.074 0.000 2.279 137 N HA 0.026 4.766 4.740 0.000 0.000 0.226 137 N C 1.341 176.825 175.510 -0.044 0.000 1.126 137 N CA 0.580 53.596 53.050 -0.056 0.000 0.846 137 N CB 0.589 39.044 38.487 -0.052 0.000 1.050 137 N HN 0.291 nan 8.380 nan 0.000 0.502 138 Q N 0.931 120.705 119.800 -0.045 0.000 1.978 138 Q HA -0.197 4.144 4.340 0.000 0.000 0.211 138 Q C 1.056 177.039 176.000 -0.028 0.000 1.013 138 Q CA 2.004 57.786 55.803 -0.035 0.000 0.869 138 Q CB -0.924 27.793 28.738 -0.035 0.000 0.953 138 Q HN 0.517 nan 8.270 nan 0.000 0.415 139 K N 0.446 120.829 120.400 -0.029 0.000 3.101 139 K HA 0.262 4.583 4.320 0.000 0.000 0.229 139 K C -0.033 176.553 176.600 -0.024 0.000 1.232 139 K CA 0.134 56.407 56.287 -0.024 0.000 1.210 139 K CB 0.058 32.544 32.500 -0.023 0.000 1.284 139 K HN 0.572 nan 8.250 nan 0.000 0.448 140 N N 0.723 119.408 118.700 -0.025 0.000 2.714 140 N HA -0.276 4.464 4.740 0.000 0.000 0.250 140 N C 0.673 176.167 175.510 -0.026 0.000 1.117 140 N CA 0.697 53.733 53.050 -0.023 0.000 0.719 140 N CB -0.956 37.521 38.487 -0.018 0.000 1.081 140 N HN 0.489 nan 8.380 nan 0.000 0.557 141 A N -0.896 121.905 122.820 -0.032 0.000 1.917 141 A HA -0.195 4.125 4.320 0.000 0.000 0.219 141 A C 2.340 179.903 177.584 -0.035 0.000 1.182 141 A CA 2.384 54.400 52.037 -0.035 0.000 0.633 141 A CB -0.874 18.101 19.000 -0.043 0.000 0.819 141 A HN 0.544 nan 8.150 nan 0.000 0.448 142 S N -1.157 114.521 115.700 -0.037 0.000 2.377 142 S HA 0.074 4.545 4.470 0.000 0.000 0.223 142 S C 2.070 176.655 174.600 -0.024 0.000 1.030 142 S CA 1.350 59.529 58.200 -0.034 0.000 0.970 142 S CB -0.675 62.501 63.200 -0.040 0.000 0.830 142 S HN 0.698 nan 8.310 nan 0.000 0.473 143 G N 1.444 110.232 108.800 -0.020 0.000 2.442 143 G HA2 -0.217 3.743 3.960 0.000 0.000 0.219 143 G HA3 -0.217 3.743 3.960 0.000 0.000 0.219 143 G C 1.603 176.494 174.900 -0.014 0.000 1.141 143 G CA 0.641 45.732 45.100 -0.014 0.000 0.763 143 G HN 0.524 nan 8.290 nan 0.000 0.554 144 R N 0.440 120.930 120.500 -0.017 0.000 2.092 144 R HA 0.145 4.485 4.340 0.000 0.000 0.231 144 R C 3.037 179.327 176.300 -0.016 0.000 1.119 144 R CA 0.996 57.086 56.100 -0.016 0.000 0.970 144 R CB -0.349 29.941 30.300 -0.018 0.000 0.864 144 R HN 0.335 nan 8.270 nan 0.000 0.440 145 A N 0.861 123.669 122.820 -0.019 0.000 1.908 145 A HA -0.108 4.213 4.320 0.000 0.000 0.218 145 A C 2.402 179.977 177.584 -0.016 0.000 1.181 145 A CA 1.813 53.839 52.037 -0.019 0.000 0.627 145 A CB -1.260 17.725 19.000 -0.024 0.000 0.818 145 A HN 0.466 nan 8.150 nan 0.000 0.445 146 G N -1.160 107.632 108.800 -0.014 0.000 2.432 146 G HA2 -0.048 3.912 3.960 0.000 0.000 0.219 146 G HA3 -0.048 3.912 3.960 0.000 0.000 0.219 146 G C 1.708 176.603 174.900 -0.009 0.000 1.135 146 G CA 2.573 47.666 45.100 -0.010 0.000 0.767 146 G HN 0.798 nan 8.290 nan 0.000 0.550 147 M N 0.298 119.892 119.600 -0.010 0.000 2.132 147 M HA 0.198 4.678 4.480 0.000 0.000 0.263 147 M C 2.765 179.059 176.300 -0.009 0.000 1.065 147 M CA 1.821 57.116 55.300 -0.009 0.000 1.122 147 M CB -1.262 31.332 32.600 -0.009 0.000 1.365 147 M HN 0.118 nan 8.290 nan 0.000 0.411 148 V N 1.129 121.036 119.914 -0.010 0.000 2.237 148 V HA -0.294 3.826 4.120 0.000 0.000 0.245 148 V C 3.170 179.259 176.094 -0.009 0.000 1.046 148 V CA 2.719 65.013 62.300 -0.010 0.000 1.007 148 V CB -1.605 30.211 31.823 -0.012 0.000 0.638 148 V HN 0.834 nan 8.190 nan 0.000 0.445 149 Q N 0.240 120.034 119.800 -0.010 0.000 2.234 149 Q HA -0.175 4.166 4.340 0.000 0.000 0.206 149 Q C 2.254 178.249 176.000 -0.007 0.000 0.980 149 Q CA 2.091 57.889 55.803 -0.009 0.000 0.869 149 Q CB -1.658 27.074 28.738 -0.010 0.000 0.912 149 Q HN 0.739 nan 8.270 nan 0.000 0.436 150 G N -0.453 108.343 108.800 -0.007 0.000 2.470 150 G HA2 0.129 4.089 3.960 0.000 0.000 0.220 150 G HA3 0.129 4.089 3.960 0.000 0.000 0.220 150 G C 1.516 176.413 174.900 -0.006 0.000 1.121 150 G CA 1.926 47.022 45.100 -0.006 0.000 0.766 150 G HN 1.232 nan 8.290 nan 0.000 0.553 151 L N -0.850 120.369 121.223 -0.006 0.000 2.537 151 L HA 0.703 5.044 4.340 0.000 0.000 0.224 151 L C 3.066 179.932 176.870 -0.006 0.000 1.065 151 L CA 1.235 56.071 54.840 -0.006 0.000 0.860 151 L CB -1.194 40.862 42.059 -0.006 0.000 1.086 151 L HN 0.421 nan 8.230 nan 0.000 0.482 152 L N -0.988 120.231 121.223 -0.007 0.000 2.353 152 L HA 0.137 4.477 4.340 0.000 0.000 0.220 152 L C 2.497 179.363 176.870 -0.006 0.000 1.133 152 L CA 3.102 57.938 54.840 -0.007 0.000 0.798 152 L CB -2.014 40.040 42.059 -0.008 0.000 0.922 152 L HN 0.870 nan 8.230 nan 0.000 0.445 153 Q N -0.941 118.856 119.800 -0.006 0.000 2.390 153 Q HA 0.181 4.521 4.340 0.000 0.000 0.216 153 Q C 2.138 178.136 176.000 -0.005 0.000 0.916 153 Q CA 1.669 57.469 55.803 -0.005 0.000 0.911 153 Q CB -0.843 27.892 28.738 -0.005 0.000 1.035 153 Q HN 1.024 nan 8.270 nan 0.000 0.541 154 E N -1.051 119.146 120.200 -0.005 0.000 2.463 154 E HA 0.189 4.539 4.350 0.000 0.000 0.201 154 E C 1.422 178.020 176.600 -0.004 0.000 1.045 154 E CA 1.568 57.966 56.400 -0.004 0.000 0.872 154 E CB -1.140 28.558 29.700 -0.004 0.000 0.797 154 E HN 1.361 nan 8.360 nan 0.000 0.538 155 F N -2.564 117.383 119.950 -0.004 0.000 2.925 155 F HA 0.686 5.213 4.527 0.000 0.000 0.355 155 F C 1.809 177.606 175.800 -0.004 0.000 1.073 155 F CA 0.648 58.646 58.000 -0.004 0.000 1.127 155 F CB -0.526 38.471 39.000 -0.004 0.000 1.123 155 F HN 0.973 nan 8.300 nan 0.000 0.551 156 S N 0.096 115.793 115.700 -0.005 0.000 3.628 156 S HA 0.347 4.817 4.470 0.000 0.000 0.373 156 S C 0.135 174.732 174.600 -0.005 0.000 0.968 156 S CA 0.919 59.116 58.200 -0.005 0.000 1.215 156 S CB -2.794 60.403 63.200 -0.004 0.000 0.912 156 S HN 2.458 nan 8.310 nan 0.000 0.495 157 L N -0.292 120.928 121.223 -0.005 0.000 2.334 157 L HA 1.028 5.368 4.340 0.000 0.000 0.275 157 L C 0.937 177.804 176.870 -0.006 0.000 1.036 157 L CA 0.024 54.861 54.840 -0.006 0.000 0.807 157 L CB 0.411 42.466 42.059 -0.006 0.000 1.231 157 L HN 1.793 nan 8.230 nan 0.000 0.438 158 S N 0.486 116.183 115.700 -0.006 0.000 2.626 158 S HA 0.594 5.065 4.470 0.000 0.000 0.257 158 S C 1.791 176.387 174.600 -0.007 0.000 1.288 158 S CA 0.422 58.618 58.200 -0.007 0.000 0.980 158 S CB -0.270 62.927 63.200 -0.006 0.000 0.975 158 S HN 2.150 nan 8.310 nan 0.000 0.577 159 S N -0.296 115.399 115.700 -0.008 0.000 2.348 159 S HA 0.077 4.547 4.470 0.000 0.000 0.221 159 S C 2.244 176.839 174.600 -0.008 0.000 1.033 159 S CA 2.416 60.610 58.200 -0.009 0.000 1.010 159 S CB -1.357 61.837 63.200 -0.010 0.000 0.891 159 S HN 1.270 nan 8.310 nan 0.000 0.442 160 Q N -0.365 119.430 119.800 -0.008 0.000 2.500 160 Q HA 0.217 4.557 4.340 0.000 0.000 0.213 160 Q C 1.895 177.891 176.000 -0.007 0.000 0.974 160 Q CA 1.956 57.755 55.803 -0.007 0.000 0.918 160 Q CB -1.570 27.164 28.738 -0.006 0.000 0.980 160 Q HN 0.985 nan 8.270 nan 0.000 0.505 161 E N -0.186 120.010 120.200 -0.006 0.000 2.045 161 E HA 0.179 4.529 4.350 0.000 0.000 0.190 161 E C 2.541 179.137 176.600 -0.006 0.000 0.968 161 E CA 1.001 57.398 56.400 -0.006 0.000 0.813 161 E CB -1.275 28.421 29.700 -0.006 0.000 0.780 161 E HN 0.691 nan 8.360 nan 0.000 0.455 162 G N 0.650 109.445 108.800 -0.007 0.000 2.469 162 G HA2 -0.214 3.746 3.960 0.000 0.000 0.220 162 G HA3 -0.214 3.746 3.960 0.000 0.000 0.220 162 G C 1.926 176.821 174.900 -0.007 0.000 1.136 162 G CA 1.583 46.678 45.100 -0.007 0.000 0.759 162 G HN 0.423 nan 8.290 nan 0.000 0.562 163 V N 1.477 121.386 119.914 -0.008 0.000 2.332 163 V HA -0.165 3.956 4.120 0.000 0.000 0.248 163 V C 3.322 179.412 176.094 -0.007 0.000 1.055 163 V CA 2.048 64.343 62.300 -0.008 0.000 1.038 163 V CB -0.883 30.935 31.823 -0.008 0.000 0.651 163 V HN 0.501 nan 8.190 nan 0.000 0.450 164 A N -0.270 122.546 122.820 -0.006 0.000 1.902 164 A HA -0.205 4.115 4.320 0.000 0.000 0.217 164 A C 2.165 179.745 177.584 -0.006 0.000 1.181 164 A CA 2.126 54.159 52.037 -0.006 0.000 0.623 164 A CB -0.548 18.449 19.000 -0.005 0.000 0.818 164 A HN 0.460 nan 8.150 nan 0.000 0.443 165 L N -0.940 120.280 121.223 -0.006 0.000 2.056 165 L HA -0.127 4.214 4.340 0.000 0.000 0.207 165 L C 2.349 179.215 176.870 -0.006 0.000 1.078 165 L CA 1.915 56.751 54.840 -0.005 0.000 0.749 165 L CB -0.482 41.573 42.059 -0.005 0.000 0.901 165 L HN 0.287 nan 8.230 nan 0.000 0.433 166 M N -1.302 118.295 119.600 -0.006 0.000 2.149 166 M HA -0.250 4.231 4.480 0.000 0.000 0.261 166 M C 2.477 178.773 176.300 -0.006 0.000 1.064 166 M CA 1.564 56.860 55.300 -0.007 0.000 1.102 166 M CB -1.869 30.727 32.600 -0.008 0.000 1.369 166 M HN 0.402 nan 8.290 nan 0.000 0.408 167 C N 0.118 119.414 119.300 -0.006 0.000 2.432 167 C HA -0.141 4.319 4.460 0.000 0.000 0.277 167 C C 2.867 177.854 174.990 -0.005 0.000 1.249 167 C CA 0.515 59.529 59.018 -0.006 0.000 1.725 167 C CB -1.208 26.529 27.740 -0.006 0.000 2.028 167 C HN 0.536 nan 8.230 nan 0.000 0.477 168 L N 1.423 122.643 121.223 -0.005 0.000 2.017 168 L HA -0.137 4.203 4.340 0.000 0.000 0.208 168 L C 2.697 179.564 176.870 -0.004 0.000 1.073 168 L CA 2.427 57.265 54.840 -0.004 0.000 0.745 168 L CB -1.103 40.953 42.059 -0.004 0.000 0.894 168 L HN 0.348 nan 8.230 nan 0.000 0.432 169 A N -0.395 122.422 122.820 -0.005 0.000 1.933 169 A HA -0.271 4.049 4.320 0.000 0.000 0.218 169 A C 2.217 179.798 177.584 -0.005 0.000 1.175 169 A CA 1.742 53.776 52.037 -0.005 0.000 0.628 169 A CB -0.563 18.434 19.000 -0.005 0.000 0.814 169 A HN 0.636 nan 8.150 nan 0.000 0.444 170 E N -0.060 120.137 120.200 -0.005 0.000 2.072 170 E HA -0.107 4.243 4.350 0.000 0.000 0.191 170 E C 2.146 178.743 176.600 -0.005 0.000 0.985 170 E CA 0.977 57.374 56.400 -0.005 0.000 0.801 170 E CB -0.254 29.442 29.700 -0.006 0.000 0.750 170 E HN 0.516 nan 8.360 nan 0.000 0.452 171 A N 1.231 124.048 122.820 -0.004 0.000 1.902 171 A HA -0.149 4.171 4.320 0.000 0.000 0.217 171 A C 2.231 179.813 177.584 -0.004 0.000 1.181 171 A CA 1.133 53.168 52.037 -0.004 0.000 0.623 171 A CB -0.683 18.314 19.000 -0.004 0.000 0.818 171 A HN 0.316 nan 8.150 nan 0.000 0.443 172 L N -0.792 120.429 121.223 -0.004 0.000 2.046 172 L HA -0.156 4.184 4.340 0.000 0.000 0.208 172 L C 2.323 179.191 176.870 -0.003 0.000 1.077 172 L CA 1.006 55.844 54.840 -0.003 0.000 0.747 172 L CB -0.437 41.620 42.059 -0.003 0.000 0.896 172 L HN 0.355 nan 8.230 nan 0.000 0.432 173 L N -0.705 120.516 121.223 -0.004 0.000 2.465 173 L HA -0.108 4.233 4.340 0.000 0.000 0.224 173 L C 2.281 179.149 176.870 -0.004 0.000 1.145 173 L CA 0.637 55.475 54.840 -0.004 0.000 0.834 173 L CB -0.307 41.749 42.059 -0.004 0.000 0.944 173 L HN 0.191 nan 8.230 nan 0.000 0.451 174 R N -0.261 120.237 120.500 -0.004 0.000 2.310 174 R HA 0.189 4.529 4.340 0.000 0.000 0.202 174 R C 0.353 176.652 176.300 -0.003 0.000 0.933 174 R CA -0.015 56.083 56.100 -0.003 0.000 1.054 174 R CB 0.133 30.431 30.300 -0.004 0.000 0.985 174 R HN 0.263 nan 8.270 nan 0.000 0.489 175 I N 2.673 123.241 120.570 -0.003 0.000 2.436 175 I HA 0.048 4.218 4.170 0.000 0.000 0.289 175 I C -1.469 174.647 176.117 -0.002 0.000 1.083 175 I CA -1.735 59.563 61.300 -0.003 0.000 1.372 175 I CB 1.181 39.180 38.000 -0.003 0.000 1.408 175 I HN -0.192 nan 8.210 nan 0.000 0.516 176 P HA -0.069 nan 4.420 nan 0.000 0.218 176 P C -0.324 176.975 177.300 -0.002 0.000 1.149 176 P CA 1.254 64.353 63.100 -0.002 0.000 0.817 176 P CB 0.194 31.893 31.700 -0.002 0.000 0.785 177 D N -0.813 119.586 120.400 -0.002 0.000 2.308 177 D HA 0.070 4.711 4.640 0.000 0.000 0.242 177 D C 0.780 177.079 176.300 -0.002 0.000 1.059 177 D CA -0.424 53.575 54.000 -0.002 0.000 0.830 177 D CB 1.871 42.670 40.800 -0.002 0.000 1.161 177 D HN -0.059 nan 8.370 nan 0.000 0.494 178 K N 1.979 122.378 120.400 -0.002 0.000 2.097 178 K HA -0.168 4.153 4.320 0.000 0.000 0.206 178 K C 1.659 178.258 176.600 -0.002 0.000 1.049 178 K CA 1.180 57.466 56.287 -0.002 0.000 0.933 178 K CB 0.126 32.625 32.500 -0.002 0.000 0.717 178 K HN 0.423 nan 8.250 nan 0.000 0.442 179 A N 0.536 123.355 122.820 -0.002 0.000 1.902 179 A HA -0.144 4.176 4.320 0.000 0.000 0.217 179 A C 2.148 179.731 177.584 -0.002 0.000 1.181 179 A CA 2.187 54.224 52.037 -0.002 0.000 0.623 179 A CB -0.996 18.003 19.000 -0.001 0.000 0.818 179 A HN 0.438 nan 8.150 nan 0.000 0.443 180 T N -0.693 113.860 114.554 -0.002 0.000 2.708 180 T HA -0.158 4.192 4.350 0.000 0.000 0.266 180 T C 2.063 176.762 174.700 -0.002 0.000 1.037 180 T CA 1.449 63.548 62.100 -0.002 0.000 1.146 180 T CB -0.264 68.603 68.868 -0.002 0.000 0.865 180 T HN 0.562 nan 8.240 nan 0.000 0.435 181 R N 1.034 121.533 120.500 -0.002 0.000 2.080 181 R HA -0.167 4.173 4.340 0.000 0.000 0.236 181 R C 1.991 178.290 176.300 -0.002 0.000 1.137 181 R CA 2.067 58.165 56.100 -0.002 0.000 0.943 181 R CB -0.386 29.913 30.300 -0.002 0.000 0.846 181 R HN 0.286 nan 8.270 nan 0.000 0.431 182 D N 0.213 120.612 120.400 -0.002 0.000 2.116 182 D HA -0.181 4.460 4.640 0.000 0.000 0.193 182 D C 1.730 178.029 176.300 -0.002 0.000 0.998 182 D CA 1.748 55.747 54.000 -0.002 0.000 0.836 182 D CB -0.374 40.425 40.800 -0.002 0.000 0.951 182 D HN 0.440 nan 8.370 nan 0.000 0.449 183 A N 0.345 123.164 122.820 -0.002 0.000 1.969 183 A HA -0.053 4.267 4.320 0.000 0.000 0.218 183 A C 1.356 178.939 177.584 -0.002 0.000 1.169 183 A CA 0.329 52.365 52.037 -0.002 0.000 0.635 183 A CB -0.459 18.540 19.000 -0.002 0.000 0.810 183 A HN 0.230 nan 8.150 nan 0.000 0.445 241 E N 0.353 120.559 120.200 0.010 0.000 2.208 241 E HA 0.049 4.399 4.350 0.000 0.000 0.193 241 E C -0.498 176.110 176.600 0.013 0.000 0.988 241 E CA 1.537 57.944 56.400 0.012 0.000 0.828 241 E CB -0.595 29.113 29.700 0.013 0.000 0.763 241 E HN 0.244 nan 8.360 nan 0.000 0.478 242 P HA -0.160 nan 4.420 nan 0.000 0.218 242 P C 1.776 179.083 177.300 0.011 0.000 1.148 242 P CA 2.224 65.331 63.100 0.012 0.000 0.822 242 P CB -0.228 31.478 31.700 0.010 0.000 0.784 243 L N -0.753 120.476 121.223 0.009 0.000 2.093 243 L HA -0.071 4.269 4.340 0.000 0.000 0.208 243 L C 2.703 179.579 176.870 0.011 0.000 1.085 243 L CA 2.670 57.515 54.840 0.008 0.000 0.755 243 L CB -2.413 39.651 42.059 0.007 0.000 0.904 243 L HN 0.073 nan 8.230 nan 0.000 0.435 244 I N -0.308 120.270 120.570 0.013 0.000 2.202 244 I HA -0.023 4.148 4.170 0.000 0.000 0.242 244 I C 3.068 179.196 176.117 0.019 0.000 1.091 244 I CA 3.161 64.470 61.300 0.015 0.000 1.368 244 I CB -1.834 36.175 38.000 0.016 0.000 1.058 244 I HN 0.699 nan 8.210 nan 0.000 0.410 245 R N 0.840 121.351 120.500 0.019 0.000 2.081 245 R HA -0.125 4.215 4.340 0.000 0.000 0.235 245 R C 2.611 178.924 176.300 0.023 0.000 1.131 245 R CA 2.867 58.981 56.100 0.024 0.000 0.960 245 R CB -1.788 28.527 30.300 0.024 0.000 0.856 245 R HN 0.940 nan 8.270 nan 0.000 0.436 246 K N 0.097 120.506 120.400 0.016 0.000 2.097 246 K HA 0.117 4.438 4.320 0.000 0.000 0.205 246 K C 2.744 179.350 176.600 0.009 0.000 1.050 246 K CA 1.416 57.709 56.287 0.010 0.000 0.938 246 K CB -1.399 31.104 32.500 0.004 0.000 0.718 246 K HN 0.640 nan 8.250 nan 0.000 0.442 247 G N 0.545 109.352 108.800 0.012 0.000 2.421 247 G HA2 -0.146 3.815 3.960 0.000 0.000 0.216 247 G HA3 -0.146 3.815 3.960 0.000 0.000 0.216 247 G C 1.817 176.728 174.900 0.020 0.000 1.171 247 G CA 1.137 46.245 45.100 0.013 0.000 0.775 247 G HN 0.324 nan 8.290 nan 0.000 0.543 248 V N 1.248 121.177 119.914 0.025 0.000 2.343 248 V HA -0.188 3.932 4.120 0.000 0.000 0.247 248 V C 2.479 178.597 176.094 0.040 0.000 1.051 248 V CA 2.372 64.693 62.300 0.034 0.000 1.036 248 V CB -0.467 31.378 31.823 0.037 0.000 0.654 248 V HN 0.473 nan 8.190 nan 0.000 0.451 249 D N -0.676 119.746 120.400 0.037 0.000 2.123 249 D HA -0.249 4.391 4.640 0.000 0.000 0.196 249 D C 2.007 178.323 176.300 0.027 0.000 0.992 249 D CA 1.739 55.764 54.000 0.040 0.000 0.833 249 D CB -0.101 40.716 40.800 0.029 0.000 0.954 249 D HN 0.300 nan 8.370 nan 0.000 0.455 250 M N 0.118 119.724 119.600 0.011 0.000 2.156 250 M HA 0.156 4.636 4.480 0.000 0.000 0.264 250 M C 1.910 178.221 176.300 0.019 0.000 1.067 250 M CA 1.550 56.851 55.300 0.002 0.000 1.131 250 M CB -0.579 32.017 32.600 -0.006 0.000 1.368 250 M HN 0.069 nan 8.290 nan 0.000 0.416 251 A N 0.173 123.009 122.820 0.027 0.000 1.902 251 A HA -0.210 4.110 4.320 0.000 0.000 0.217 251 A C 2.366 179.983 177.584 0.054 0.000 1.181 251 A CA 2.055 54.113 52.037 0.035 0.000 0.623 251 A CB -0.945 18.076 19.000 0.035 0.000 0.818 251 A HN 0.692 nan 8.150 nan 0.000 0.443 252 M N -0.664 118.974 119.600 0.064 0.000 2.080 252 M HA -0.227 4.253 4.480 0.000 0.000 0.260 252 M C 2.274 178.636 176.300 0.103 0.000 1.068 252 M CA 2.054 57.409 55.300 0.090 0.000 1.109 252 M CB -0.198 32.459 32.600 0.095 0.000 1.342 252 M HN 0.400 nan 8.290 nan 0.000 0.405 253 R N -0.084 120.464 120.500 0.080 0.000 2.075 253 R HA -0.094 4.246 4.340 0.000 0.000 0.232 253 R C 2.110 178.447 176.300 0.062 0.000 1.126 253 R CA 1.119 57.266 56.100 0.078 0.000 0.963 253 R CB -0.496 29.829 30.300 0.042 0.000 0.858 253 R HN 0.291 nan 8.270 nan 0.000 0.435 254 L N 0.440 121.688 121.223 0.041 0.000 2.017 254 L HA -0.100 4.241 4.340 0.000 0.000 0.208 254 L C 2.195 179.080 176.870 0.026 0.000 1.073 254 L CA 1.798 56.652 54.840 0.024 0.000 0.745 254 L CB -0.463 41.604 42.059 0.014 0.000 0.894 254 L HN 0.220 nan 8.230 nan 0.000 0.432 255 M N -1.780 117.854 119.600 0.056 0.000 2.394 255 M HA -0.033 4.447 4.480 0.000 0.000 0.264 255 M C 1.977 178.355 176.300 0.129 0.000 1.073 255 M CA 1.210 56.556 55.300 0.077 0.000 1.111 255 M CB -0.587 32.086 32.600 0.122 0.000 1.401 255 M HN 0.344 nan 8.290 nan 0.000 0.448 256 G N -0.181 108.720 108.800 0.168 0.000 2.551 256 G HA2 -0.105 3.855 3.960 0.000 0.000 0.216 256 G HA3 -0.105 3.855 3.960 0.000 0.000 0.216 256 G C 1.277 176.283 174.900 0.177 0.000 1.137 256 G CA 0.142 45.408 45.100 0.276 0.000 0.798 256 G HN 0.427 nan 8.290 nan 0.000 0.536 257 E N 0.755 120.993 120.200 0.064 0.000 2.097 257 E HA -0.264 4.086 4.350 0.000 0.000 0.196 257 E C 2.665 179.251 176.600 -0.022 0.000 1.000 257 E CA 1.449 57.869 56.400 0.033 0.000 0.804 257 E CB -0.138 29.566 29.700 0.007 0.000 0.740 257 E HN 0.770 nan 8.360 nan 0.000 0.454 258 Q N -0.280 119.388 119.800 -0.220 0.000 2.291 258 Q HA -0.155 4.185 4.340 0.000 0.000 0.206 258 Q C 1.469 177.207 176.000 -0.438 0.000 0.976 258 Q CA 1.386 56.938 55.803 -0.418 0.000 0.875 258 Q CB -0.267 28.050 28.738 -0.703 0.000 0.927 258 Q HN 0.348 nan 8.270 nan 0.000 0.450 259 F N 0.594 120.592 119.950 0.080 0.000 2.746 259 F HA 0.242 4.770 4.527 0.000 0.000 0.297 259 F C 0.393 176.390 175.800 0.328 0.000 1.113 259 F CA -0.630 57.469 58.000 0.165 0.000 1.367 259 F CB 1.087 40.236 39.000 0.247 0.000 1.111 259 F HN -0.176 nan 8.300 nan 0.000 0.590 260 V N 0.509 120.660 119.914 0.396 0.000 2.394 260 V HA 0.112 4.232 4.120 0.000 0.000 0.282 260 V C 0.814 177.006 176.094 0.163 0.000 1.031 260 V CA -0.063 62.382 62.300 0.242 0.000 0.881 260 V CB 1.401 33.307 31.823 0.139 0.000 0.982 260 V HN 0.141 nan 8.190 nan 0.000 0.451 261 T N 3.059 117.614 114.554 0.000 0.000 2.896 261 T HA 0.214 4.564 4.350 0.000 0.000 0.263 261 T C 0.705 175.355 174.700 -0.082 0.000 1.050 261 T CA 1.214 63.191 62.100 -0.205 0.000 1.140 261 T CB 0.150 68.894 68.868 -0.207 0.000 0.877 261 T HN 0.911 nan 8.240 nan 0.000 0.457 262 G N -0.353 108.430 108.800 -0.028 0.000 2.632 262 G HA2 0.430 4.390 3.960 0.000 0.000 0.292 262 G HA3 0.430 4.390 3.960 0.000 0.000 0.292 262 G C -0.262 174.630 174.900 -0.014 0.000 1.465 262 G CA -0.488 44.597 45.100 -0.026 0.000 0.824 262 G HN -0.154 nan 8.290 nan 0.000 0.509 263 E N -0.520 119.672 120.200 -0.013 0.000 2.152 263 E HA 0.012 4.362 4.350 0.000 0.000 0.192 263 E C 1.458 178.042 176.600 -0.027 0.000 0.983 263 E CA 1.632 58.027 56.400 -0.008 0.000 0.818 263 E CB 0.155 29.856 29.700 0.002 0.000 0.758 263 E HN 0.686 nan 8.360 nan 0.000 0.467 264 T N -2.367 112.162 114.554 -0.041 0.000 2.901 264 T HA 0.369 4.719 4.350 0.000 0.000 0.293 264 T C 0.900 175.547 174.700 -0.087 0.000 1.084 264 T CA -0.808 61.257 62.100 -0.058 0.000 1.008 264 T CB 1.544 70.379 68.868 -0.055 0.000 1.170 264 T HN -0.150 nan 8.240 nan 0.000 0.509 265 I N 1.612 122.117 120.570 -0.109 0.000 2.361 265 I HA 0.082 4.253 4.170 0.000 0.000 0.251 265 I C 2.505 178.492 176.117 -0.216 0.000 1.133 265 I CA 1.888 63.076 61.300 -0.186 0.000 1.413 265 I CB -0.920 36.971 38.000 -0.183 0.000 1.073 265 I HN 0.884 nan 8.210 nan 0.000 0.424 266 A N -0.184 122.547 122.820 -0.147 0.000 1.902 266 A HA -0.268 4.052 4.320 0.000 0.000 0.217 266 A C 2.397 179.905 177.584 -0.126 0.000 1.181 266 A CA 1.896 53.853 52.037 -0.132 0.000 0.623 266 A CB -0.852 18.093 19.000 -0.091 0.000 0.818 266 A HN 0.611 nan 8.150 nan 0.000 0.443 267 E N -0.023 120.114 120.200 -0.104 0.000 2.077 267 E HA -0.122 4.228 4.350 0.000 0.000 0.193 267 E C 2.152 178.687 176.600 -0.108 0.000 0.989 267 E CA 1.069 57.417 56.400 -0.087 0.000 0.800 267 E CB -0.294 29.370 29.700 -0.061 0.000 0.746 267 E HN 0.501 nan 8.360 nan 0.000 0.452 268 A N 1.327 124.068 122.820 -0.130 0.000 1.865 268 A HA -0.193 4.127 4.320 0.000 0.000 0.217 268 A C 2.257 179.727 177.584 -0.190 0.000 1.191 268 A CA 1.536 53.495 52.037 -0.128 0.000 0.623 268 A CB -0.853 18.087 19.000 -0.099 0.000 0.826 268 A HN 0.346 nan 8.150 nan 0.000 0.444 269 L N -0.840 120.198 121.223 -0.307 0.000 2.131 269 L HA -0.180 4.160 4.340 0.000 0.000 0.210 269 L C 3.011 179.786 176.870 -0.159 0.000 1.092 269 L CA 0.913 55.582 54.840 -0.286 0.000 0.759 269 L CB -0.454 41.417 42.059 -0.313 0.000 0.903 269 L HN 0.447 nan 8.230 nan 0.000 0.435 270 A N -0.057 122.686 122.820 -0.130 0.000 2.019 270 A HA -0.198 4.122 4.320 0.000 0.000 0.219 270 A C 1.812 179.350 177.584 -0.077 0.000 1.164 270 A CA 1.725 53.711 52.037 -0.085 0.000 0.644 270 A CB -0.691 18.267 19.000 -0.070 0.000 0.805 270 A HN 0.582 nan 8.150 nan 0.000 0.449 271 N N -0.624 118.013 118.700 -0.106 0.000 2.336 271 N HA 0.239 4.980 4.740 0.000 0.000 0.189 271 N C 1.438 176.873 175.510 -0.125 0.000 1.113 271 N CA 0.365 53.356 53.050 -0.098 0.000 0.858 271 N CB 0.107 38.529 38.487 -0.107 0.000 0.970 271 N HN 0.493 nan 8.380 nan 0.000 0.471 272 A N 1.416 124.138 122.820 -0.164 0.000 1.975 272 A HA -0.016 4.304 4.320 0.000 0.000 0.215 272 A C 2.500 180.120 177.584 0.059 0.000 1.170 272 A CA 1.035 52.946 52.037 -0.209 0.000 0.656 272 A CB -0.544 18.321 19.000 -0.225 0.000 0.821 272 A HN 0.361 nan 8.150 nan 0.000 0.449 273 R N -0.530 119.997 120.500 0.044 0.000 2.091 273 R HA -0.149 4.191 4.340 0.000 0.000 0.238 273 R C 2.501 178.867 176.300 0.109 0.000 1.136 273 R CA 2.934 59.083 56.100 0.082 0.000 0.959 273 R CB -1.857 28.472 30.300 0.049 0.000 0.856 273 R HN 0.754 nan 8.270 nan 0.000 0.437 274 K N 0.901 121.354 120.400 0.088 0.000 2.020 274 K HA 0.014 4.334 4.320 0.000 0.000 0.212 274 K C 2.377 179.053 176.600 0.127 0.000 1.050 274 K CA 1.824 58.164 56.287 0.088 0.000 0.929 274 K CB -0.813 31.722 32.500 0.059 0.000 0.714 274 K HN 0.518 nan 8.250 nan 0.000 0.443 275 L N -0.139 121.183 121.223 0.165 0.000 2.249 275 L HA -0.003 4.337 4.340 0.000 0.000 0.207 275 L C 2.707 179.783 176.870 0.343 0.000 1.090 275 L CA 0.672 55.626 54.840 0.190 0.000 0.802 275 L CB -0.142 41.874 42.059 -0.072 0.000 0.947 275 L HN 0.479 nan 8.230 nan 0.000 0.453 276 E N 0.534 120.933 120.200 0.331 0.000 2.110 276 E HA -0.237 4.113 4.350 0.000 0.000 0.193 276 E C 1.795 178.519 176.600 0.206 0.000 0.988 276 E CA 1.091 57.665 56.400 0.289 0.000 0.804 276 E CB 0.035 29.898 29.700 0.272 0.000 0.745 276 E HN 0.498 nan 8.360 nan 0.000 0.458 277 E N 0.403 120.708 120.200 0.175 0.000 2.338 277 E HA -0.134 4.217 4.350 0.000 0.000 0.197 277 E C 1.366 178.048 176.600 0.135 0.000 1.007 277 E CA 0.646 57.125 56.400 0.131 0.000 0.849 277 E CB 0.114 29.877 29.700 0.105 0.000 0.774 277 E HN 0.126 nan 8.360 nan 0.000 0.506 278 K N -0.940 119.575 120.400 0.192 0.000 2.374 278 K HA 0.107 4.427 4.320 0.000 0.000 0.196 278 K C 0.936 177.611 176.600 0.125 0.000 1.023 278 K CA 0.465 56.867 56.287 0.192 0.000 1.103 278 K CB 1.092 33.769 32.500 0.296 0.000 0.848 278 K HN 0.182 nan 8.250 nan 0.000 0.528 279 G N 0.817 109.686 108.800 0.115 0.000 2.184 279 G HA2 -0.216 3.744 3.960 0.000 0.000 0.206 279 G HA3 -0.216 3.744 3.960 0.000 0.000 0.206 279 G C -0.050 174.806 174.900 -0.074 0.000 0.995 279 G CA -0.664 44.436 45.100 -0.001 0.000 0.651 279 G HN 0.112 nan 8.290 nan 0.000 0.511 280 F N 0.909 120.871 119.950 0.020 0.000 2.403 280 F HA 0.753 5.280 4.527 0.000 0.000 0.320 280 F C 1.351 177.120 175.800 -0.051 0.000 1.176 280 F CA 0.089 58.056 58.000 -0.055 0.000 1.206 280 F CB 0.674 39.598 39.000 -0.127 0.000 1.235 280 F HN 0.027 nan 8.300 nan 0.000 0.565 281 R N -0.013 120.523 120.500 0.059 0.000 2.912 281 R HA 0.582 4.922 4.340 0.000 0.000 0.262 281 R C -1.872 174.322 176.300 -0.175 0.000 1.057 281 R CA -0.979 55.147 56.100 0.043 0.000 0.981 281 R CB 1.719 32.055 30.300 0.060 0.000 1.201 281 R HN 0.494 nan 8.270 nan 0.000 0.484 282 Y N -0.940 119.354 120.300 -0.011 0.000 2.536 282 Y HA 0.489 5.040 4.550 0.000 0.000 0.347 282 Y C -0.246 175.506 175.900 -0.247 0.000 1.000 282 Y CA -0.560 57.415 58.100 -0.208 0.000 1.051 282 Y CB 2.723 40.925 38.460 -0.431 0.000 1.259 282 Y HN 0.403 nan 8.280 nan 0.000 0.468 283 S N 1.978 117.578 115.700 -0.167 0.000 2.561 283 S HA 0.548 5.018 4.470 0.000 0.000 0.303 283 S C -1.783 172.673 174.600 -0.241 0.000 1.110 283 S CA -0.500 57.629 58.200 -0.119 0.000 1.034 283 S CB 0.223 63.413 63.200 -0.017 0.000 1.010 283 S HN 0.485 nan 8.310 nan 0.000 0.482 284 Y N 2.746 123.111 120.300 0.108 0.000 2.327 284 Y HA 0.357 4.907 4.550 0.000 0.000 0.336 284 Y C 0.417 176.362 175.900 0.074 0.000 1.035 284 Y CA -0.565 57.581 58.100 0.076 0.000 1.165 284 Y CB 0.983 39.466 38.460 0.038 0.000 1.181 284 Y HN 0.596 nan 8.280 nan 0.000 0.494 285 D N 4.377 124.875 120.400 0.163 0.000 2.473 285 D HA 0.180 4.820 4.640 0.000 0.000 0.226 285 D C -0.745 175.596 176.300 0.067 0.000 1.089 285 D CA -0.562 53.501 54.000 0.105 0.000 0.883 285 D CB 0.465 41.288 40.800 0.039 0.000 1.029 285 D HN 0.279 nan 8.370 nan 0.000 0.517 286 M N 3.933 123.604 119.600 0.117 0.000 2.292 286 M HA 0.154 4.634 4.480 0.000 0.000 0.342 286 M C 0.136 176.399 176.300 -0.062 0.000 1.538 286 M CA -0.094 55.211 55.300 0.008 0.000 1.163 286 M CB -0.055 32.500 32.600 -0.075 0.000 1.823 286 M HN 0.322 nan 8.290 nan 0.000 0.462 287 L N 2.544 123.717 121.223 -0.082 0.000 2.439 287 L HA 0.613 4.953 4.340 0.000 0.000 0.269 287 L C 0.923 177.739 176.870 -0.091 0.000 1.179 287 L CA 0.002 54.788 54.840 -0.089 0.000 0.828 287 L CB 0.548 42.554 42.059 -0.088 0.000 1.106 287 L HN 0.918 nan 8.230 nan 0.000 0.467 288 G N 1.931 110.665 108.800 -0.110 0.000 3.239 288 G HA2 0.145 4.105 3.960 0.000 0.000 0.666 288 G HA3 0.145 4.105 3.960 0.000 0.000 0.666 288 G C -1.169 173.415 174.900 -0.528 0.000 1.313 288 G CA -0.521 44.453 45.100 -0.211 0.000 1.001 288 G HN 0.804 nan 8.290 nan 0.000 0.573 289 E N 1.005 121.042 120.200 -0.271 0.000 2.454 289 E HA 0.737 5.088 4.350 0.000 0.000 0.279 289 E C 0.468 177.070 176.600 0.004 0.000 1.029 289 E CA -0.783 55.514 56.400 -0.172 0.000 0.831 289 E CB 1.322 31.020 29.700 -0.004 0.000 1.405 289 E HN 2.420 nan 8.360 nan 0.000 0.463 290 A N -0.316 122.540 122.820 0.059 0.000 2.610 290 A HA -0.018 4.302 4.320 0.000 0.000 0.299 290 A C 0.587 178.275 177.584 0.174 0.000 1.487 290 A CA 0.678 52.797 52.037 0.138 0.000 0.743 290 A CB -2.313 16.770 19.000 0.139 0.000 1.070 290 A HN 1.415 nan 8.150 nan 0.000 0.439 291 A N -0.287 122.662 122.820 0.215 0.000 2.567 291 A HA 0.412 4.732 4.320 0.000 0.000 0.240 291 A C 1.278 178.956 177.584 0.157 0.000 1.053 291 A CA 0.821 53.014 52.037 0.260 0.000 0.755 291 A CB -0.013 19.161 19.000 0.289 0.000 0.978 291 A HN 1.214 nan 8.150 nan 0.000 0.507 292 L N 1.899 123.192 121.223 0.116 0.000 2.357 292 L HA 0.101 4.441 4.340 0.000 0.000 0.211 292 L C 1.456 178.352 176.870 0.043 0.000 1.075 292 L CA 1.161 56.048 54.840 0.078 0.000 0.830 292 L CB -0.313 41.786 42.059 0.066 0.000 0.996 292 L HN 0.919 nan 8.230 nan 0.000 0.467 293 T N -4.792 109.777 114.554 0.026 0.000 2.926 293 T HA 0.600 4.950 4.350 0.000 0.000 0.289 293 T C 0.892 175.581 174.700 -0.019 0.000 1.054 293 T CA -0.126 61.973 62.100 -0.002 0.000 1.015 293 T CB 2.411 71.273 68.868 -0.011 0.000 1.167 293 T HN -0.026 nan 8.240 nan 0.000 0.526 294 A N 0.828 123.629 122.820 -0.032 0.000 1.933 294 A HA 0.220 4.540 4.320 0.000 0.000 0.218 294 A C 2.562 180.124 177.584 -0.036 0.000 1.175 294 A CA 1.967 53.980 52.037 -0.039 0.000 0.628 294 A CB -1.531 17.448 19.000 -0.035 0.000 0.814 294 A HN 1.320 nan 8.150 nan 0.000 0.444 295 A N 0.028 122.823 122.820 -0.042 0.000 1.933 295 A HA -0.180 4.140 4.320 0.000 0.000 0.218 295 A C 1.764 179.286 177.584 -0.103 0.000 1.175 295 A CA 1.915 53.916 52.037 -0.060 0.000 0.628 295 A CB -0.576 18.390 19.000 -0.057 0.000 0.814 295 A HN 0.461 nan 8.150 nan 0.000 0.444 296 D N 0.169 120.505 120.400 -0.107 0.000 2.097 296 D HA -0.072 4.568 4.640 0.000 0.000 0.195 296 D C 2.247 178.423 176.300 -0.207 0.000 0.989 296 D CA 1.697 55.575 54.000 -0.204 0.000 0.827 296 D CB -0.501 40.249 40.800 -0.084 0.000 0.966 296 D HN 0.416 nan 8.370 nan 0.000 0.456 297 A N 0.518 123.335 122.820 -0.006 0.000 1.933 297 A HA -0.218 4.102 4.320 0.000 0.000 0.218 297 A C 2.142 179.766 177.584 0.067 0.000 1.175 297 A CA 1.783 53.889 52.037 0.116 0.000 0.628 297 A CB -0.581 18.473 19.000 0.090 0.000 0.814 297 A HN 0.142 nan 8.150 nan 0.000 0.444 298 Q N 0.055 119.852 119.800 -0.005 0.000 2.084 298 Q HA -0.025 4.315 4.340 0.000 0.000 0.202 298 Q C 2.021 177.999 176.000 -0.036 0.000 0.978 298 Q CA 2.184 57.984 55.803 -0.005 0.000 0.844 298 Q CB -0.642 28.084 28.738 -0.021 0.000 0.898 298 Q HN 0.539 nan 8.270 nan 0.000 0.426 299 A N -0.732 122.009 122.820 -0.131 0.000 1.902 299 A HA -0.164 4.156 4.320 0.000 0.000 0.217 299 A C 1.811 179.294 177.584 -0.167 0.000 1.181 299 A CA 1.466 53.390 52.037 -0.189 0.000 0.623 299 A CB -0.943 17.874 19.000 -0.306 0.000 0.818 299 A HN 0.513 nan 8.150 nan 0.000 0.443 300 Y N -1.149 119.103 120.300 -0.079 0.000 2.181 300 Y HA -0.186 4.365 4.550 0.000 0.000 0.288 300 Y C 2.449 178.277 175.900 -0.121 0.000 1.146 300 Y CA 1.557 59.555 58.100 -0.170 0.000 1.164 300 Y CB -0.769 37.621 38.460 -0.118 0.000 0.982 300 Y HN 0.389 nan 8.280 nan 0.000 0.515 301 M N -0.354 119.358 119.600 0.187 0.000 2.080 301 M HA -0.156 4.325 4.480 0.000 0.000 0.260 301 M C 2.013 178.402 176.300 0.148 0.000 1.068 301 M CA 1.553 56.982 55.300 0.216 0.000 1.109 301 M CB -0.851 31.835 32.600 0.145 0.000 1.342 301 M HN 0.014 nan 8.290 nan 0.000 0.405 302 V N -0.680 119.275 119.914 0.069 0.000 2.407 302 V HA -0.241 3.879 4.120 0.000 0.000 0.248 302 V C 2.542 178.659 176.094 0.040 0.000 1.055 302 V CA 2.035 64.363 62.300 0.047 0.000 1.049 302 V CB -1.100 30.728 31.823 0.007 0.000 0.662 302 V HN 0.688 nan 8.190 nan 0.000 0.455 303 S N -1.362 114.333 115.700 -0.009 0.000 2.368 303 S HA -0.186 4.284 4.470 0.000 0.000 0.224 303 S C 1.975 176.567 174.600 -0.014 0.000 1.029 303 S CA 1.452 59.622 58.200 -0.050 0.000 0.988 303 S CB -0.343 62.789 63.200 -0.113 0.000 0.838 303 S HN 0.592 nan 8.310 nan 0.000 0.462 304 Y N 2.063 122.399 120.300 0.060 0.000 2.145 304 Y HA -0.097 4.453 4.550 0.000 0.000 0.286 304 Y C 2.714 178.626 175.900 0.021 0.000 1.145 304 Y CA 1.469 59.590 58.100 0.036 0.000 1.148 304 Y CB -0.940 37.540 38.460 0.034 0.000 0.981 304 Y HN 0.396 nan 8.280 nan 0.000 0.507 305 Q N -0.274 119.645 119.800 0.199 0.000 2.061 305 Q HA -0.302 4.039 4.340 0.000 0.000 0.204 305 Q C 2.365 178.468 176.000 0.171 0.000 0.984 305 Q CA 1.920 57.806 55.803 0.140 0.000 0.846 305 Q CB -0.353 28.475 28.738 0.151 0.000 0.902 305 Q HN 0.595 nan 8.270 nan 0.000 0.421 306 Q N 0.354 120.246 119.800 0.154 0.000 2.084 306 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 306 Q C 2.015 178.057 176.000 0.070 0.000 0.978 306 Q CA 1.430 57.310 55.803 0.129 0.000 0.844 306 Q CB -0.182 28.585 28.738 0.050 0.000 0.898 306 Q HN 0.356 nan 8.270 nan 0.000 0.426 307 A N 1.040 123.886 122.820 0.042 0.000 1.902 307 A HA -0.166 4.154 4.320 0.000 0.000 0.217 307 A C 2.039 179.598 177.584 -0.042 0.000 1.181 307 A CA 1.462 53.498 52.037 -0.003 0.000 0.623 307 A CB -0.676 18.354 19.000 0.050 0.000 0.818 307 A HN 0.504 nan 8.150 nan 0.000 0.443 308 I N -1.268 119.283 120.570 -0.032 0.000 2.179 308 I HA -0.258 3.913 4.170 0.000 0.000 0.242 308 I C 2.488 178.391 176.117 -0.357 0.000 1.088 308 I CA 1.320 62.536 61.300 -0.140 0.000 1.357 308 I CB -0.611 37.322 38.000 -0.111 0.000 1.051 308 I HN 0.410 nan 8.210 nan 0.000 0.409 309 H N 0.688 119.631 119.070 -0.212 0.000 2.319 309 H HA -0.175 4.381 4.556 0.000 0.000 0.297 309 H C 2.338 177.421 175.328 -0.408 0.000 1.097 309 H CA 1.877 57.724 56.048 -0.334 0.000 1.285 309 H CB -0.247 29.486 29.762 -0.049 0.000 1.368 309 H HN 0.399 nan 8.280 nan 0.000 0.495 310 A N 0.898 123.641 122.820 -0.129 0.000 1.873 310 A HA -0.087 4.233 4.320 0.000 0.000 0.215 310 A C 2.713 180.167 177.584 -0.217 0.000 1.186 310 A CA 1.199 53.144 52.037 -0.153 0.000 0.616 310 A CB -0.708 18.210 19.000 -0.135 0.000 0.823 310 A HN 0.281 nan 8.150 nan 0.000 0.442 311 I N -0.208 120.221 120.570 -0.234 0.000 2.315 311 I HA -0.166 4.004 4.170 0.000 0.000 0.248 311 I C 2.663 178.664 176.117 -0.194 0.000 1.117 311 I CA 1.059 62.248 61.300 -0.185 0.000 1.404 311 I CB -0.601 37.347 38.000 -0.087 0.000 1.071 311 I HN 0.387 nan 8.210 nan 0.000 0.419 312 G N 0.945 109.491 108.800 -0.425 0.000 2.422 312 G HA2 -0.213 3.748 3.960 0.000 0.000 0.218 312 G HA3 -0.213 3.748 3.960 0.000 0.000 0.218 312 G C 1.751 176.486 174.900 -0.275 0.000 1.146 312 G CA 0.550 45.319 45.100 -0.551 0.000 0.769 312 G HN 0.315 nan 8.290 nan 0.000 0.547 313 K N 0.474 120.694 120.400 -0.300 0.000 2.057 313 K HA 0.128 4.448 4.320 0.000 0.000 0.206 313 K C 2.941 179.531 176.600 -0.016 0.000 1.050 313 K CA 0.904 57.166 56.287 -0.042 0.000 0.935 313 K CB -0.177 32.308 32.500 -0.026 0.000 0.715 313 K HN 0.253 nan 8.250 nan 0.000 0.439 314 A N 0.857 123.643 122.820 -0.057 0.000 1.902 314 A HA -0.189 4.131 4.320 0.000 0.000 0.217 314 A C 2.203 179.800 177.584 0.020 0.000 1.181 314 A CA 1.988 54.010 52.037 -0.025 0.000 0.623 314 A CB -0.758 18.207 19.000 -0.058 0.000 0.818 314 A HN 0.275 nan 8.150 nan 0.000 0.443 315 S N -0.263 115.454 115.700 0.028 0.000 2.370 315 S HA -0.270 4.200 4.470 0.000 0.000 0.226 315 S C 1.131 175.779 174.600 0.079 0.000 1.033 315 S CA 1.579 59.821 58.200 0.071 0.000 1.011 315 S CB -0.613 62.638 63.200 0.085 0.000 0.852 315 S HN 0.741 nan 8.310 nan 0.000 0.457 316 N N -0.220 118.532 118.700 0.086 0.000 2.740 316 N HA -0.205 4.536 4.740 0.000 0.000 0.248 316 N C 0.500 176.063 175.510 0.088 0.000 1.062 316 N CA 0.534 53.637 53.050 0.088 0.000 0.704 316 N CB -1.523 37.003 38.487 0.065 0.000 0.968 316 N HN 0.868 nan 8.380 nan 0.000 0.547 317 G N -0.417 108.446 108.800 0.105 0.000 2.143 317 G HA2 -0.332 3.628 3.960 0.000 0.000 0.249 317 G HA3 -0.332 3.628 3.960 0.000 0.000 0.249 317 G C 0.734 175.685 174.900 0.086 0.000 0.981 317 G CA 0.572 45.728 45.100 0.094 0.000 0.665 317 G HN 0.590 nan 8.290 nan 0.000 0.528 318 R N 0.314 120.866 120.500 0.088 0.000 2.189 318 R HA 0.316 4.656 4.340 0.000 0.000 0.223 318 R C 1.806 178.157 176.300 0.085 0.000 1.092 318 R CA 1.304 57.455 56.100 0.084 0.000 0.989 318 R CB -0.192 30.162 30.300 0.089 0.000 0.876 318 R HN 1.660 nan 8.270 nan 0.000 0.457 319 G N 0.203 109.055 108.800 0.088 0.000 2.710 319 G HA2 -0.243 3.717 3.960 0.000 0.000 0.668 319 G HA3 -0.243 3.717 3.960 0.000 0.000 0.668 319 G C 0.493 175.395 174.900 0.004 0.000 1.320 319 G CA -0.222 44.918 45.100 0.067 0.000 0.860 319 G HN 0.273 nan 8.290 nan 0.000 0.538 320 I N -2.834 117.650 120.570 -0.144 0.000 2.761 320 I HA 0.127 4.297 4.170 0.000 0.000 0.261 320 I C 2.062 177.944 176.117 -0.393 0.000 1.198 320 I CA 1.255 62.364 61.300 -0.318 0.000 1.482 320 I CB -0.291 37.346 38.000 -0.604 0.000 1.100 320 I HN 0.514 nan 8.210 nan 0.000 0.445 321 Y N 1.615 121.837 120.300 -0.131 0.000 2.266 321 Y HA 0.127 4.678 4.550 0.000 0.000 0.294 321 Y C 2.627 178.506 175.900 -0.035 0.000 1.127 321 Y CA 0.641 58.646 58.100 -0.159 0.000 1.140 321 Y CB -0.077 38.227 38.460 -0.258 0.000 1.071 321 Y HN 0.026 nan 8.280 nan 0.000 0.525 322 E N 0.387 120.678 120.200 0.152 0.000 2.299 322 E HA 0.084 4.434 4.350 0.000 0.000 0.193 322 E C 0.996 177.663 176.600 0.112 0.000 0.998 322 E CA 0.519 56.991 56.400 0.119 0.000 0.851 322 E CB -0.089 29.673 29.700 0.103 0.000 0.795 322 E HN 0.338 nan 8.360 nan 0.000 0.492 323 G N 2.929 111.788 108.800 0.099 0.000 2.477 323 G HA2 0.359 4.320 3.960 0.000 0.000 0.304 323 G HA3 0.359 4.320 3.960 0.000 0.000 0.304 323 G C -2.515 172.460 174.900 0.125 0.000 1.175 323 G CA -1.134 44.033 45.100 0.112 0.000 0.907 323 G HN -0.128 nan 8.290 nan 0.000 0.509 324 P HA 0.341 nan 4.420 nan 0.000 0.272 324 P C 0.190 177.594 177.300 0.173 0.000 1.230 324 P CA 0.025 63.253 63.100 0.213 0.000 0.788 324 P CB 1.660 33.572 31.700 0.354 0.000 0.949 325 G N 0.251 109.151 108.800 0.167 0.000 3.105 325 G HA2 0.677 4.637 3.960 0.000 0.000 0.277 325 G HA3 0.677 4.637 3.960 0.000 0.000 0.277 325 G C -1.605 173.405 174.900 0.183 0.000 1.375 325 G CA -0.742 44.444 45.100 0.142 0.000 0.962 325 G HN 0.571 nan 8.290 nan 0.000 0.541 326 I N -0.133 120.519 120.570 0.136 0.000 2.828 326 I HA 0.647 4.818 4.170 0.000 0.000 0.302 326 I C -0.347 175.819 176.117 0.081 0.000 1.101 326 I CA -0.915 60.472 61.300 0.145 0.000 1.031 326 I CB 2.393 40.470 38.000 0.129 0.000 1.231 326 I HN 0.662 nan 8.210 nan 0.000 0.427 327 S N 7.003 122.754 115.700 0.086 0.000 2.536 327 S HA 0.766 5.236 4.470 0.000 0.000 0.298 327 S C -0.656 173.947 174.600 0.004 0.000 1.083 327 S CA -0.715 57.506 58.200 0.036 0.000 0.995 327 S CB 1.785 65.017 63.200 0.054 0.000 1.058 327 S HN 0.638 nan 8.310 nan 0.000 0.488 328 I N -1.407 119.097 120.570 -0.111 0.000 2.828 328 I HA 0.670 4.840 4.170 0.000 0.000 0.302 328 I C -1.270 174.784 176.117 -0.105 0.000 1.101 328 I CA -1.166 59.967 61.300 -0.279 0.000 1.031 328 I CB 2.184 39.756 38.000 -0.714 0.000 1.231 328 I HN 0.529 nan 8.210 nan 0.000 0.427 329 K N 4.101 124.494 120.400 -0.011 0.000 2.235 329 K HA 0.474 4.794 4.320 0.000 0.000 0.266 329 K C 0.525 177.050 176.600 -0.124 0.000 0.980 329 K CA -0.656 55.610 56.287 -0.036 0.000 0.849 329 K CB 2.448 34.955 32.500 0.010 0.000 1.098 329 K HN 0.654 nan 8.250 nan 0.000 0.445 330 L N 1.332 122.417 121.223 -0.231 0.000 2.131 330 L HA -0.226 4.114 4.340 0.000 0.000 0.210 330 L C 2.287 178.726 176.870 -0.718 0.000 1.092 330 L CA 1.409 55.989 54.840 -0.432 0.000 0.759 330 L CB -0.476 41.299 42.059 -0.474 0.000 0.903 330 L HN 0.703 nan 8.230 nan 0.000 0.435 331 S N 0.037 115.334 115.700 -0.671 0.000 2.474 331 S HA -0.098 4.372 4.470 0.000 0.000 0.235 331 S C 2.018 176.564 174.600 -0.091 0.000 0.997 331 S CA 0.739 58.713 58.200 -0.377 0.000 0.949 331 S CB -0.229 62.987 63.200 0.026 0.000 0.766 331 S HN 0.356 nan 8.310 nan 0.000 0.517 332 A N 1.123 123.883 122.820 -0.099 0.000 2.067 332 A HA 0.410 4.730 4.320 0.000 0.000 0.217 332 A C 2.035 179.720 177.584 0.169 0.000 1.156 332 A CA 0.567 52.573 52.037 -0.051 0.000 0.683 332 A CB -0.423 18.431 19.000 -0.243 0.000 0.808 332 A HN 0.567 nan 8.150 nan 0.000 0.455 333 L N -1.661 119.621 121.223 0.099 0.000 2.607 333 L HA 0.204 4.544 4.340 0.000 0.000 0.228 333 L C 0.414 177.393 176.870 0.181 0.000 1.123 333 L CA 0.058 54.988 54.840 0.149 0.000 0.890 333 L CB 0.038 42.147 42.059 0.082 0.000 1.103 333 L HN 0.532 nan 8.230 nan 0.000 0.468 334 H N -0.249 118.857 119.070 0.061 0.000 2.966 334 H HA 0.347 4.903 4.556 0.000 0.000 0.347 334 H C -2.716 172.700 175.328 0.146 0.000 1.048 334 H CA -1.761 54.352 56.048 0.109 0.000 1.295 334 H CB 2.265 32.118 29.762 0.151 0.000 1.744 334 H HN -0.261 nan 8.280 nan 0.000 0.513 335 P HA 0.078 nan 4.420 nan 0.000 0.268 335 P C -0.480 176.856 177.300 0.060 0.000 1.204 335 P CA -0.015 63.052 63.100 -0.054 0.000 0.768 335 P CB 0.508 32.132 31.700 -0.127 0.000 0.842 336 R N 1.184 121.767 120.500 0.138 0.000 3.416 336 R HA -0.250 4.091 4.340 0.000 0.000 0.263 336 R C 0.739 177.195 176.300 0.260 0.000 1.053 336 R CA 0.448 56.647 56.100 0.164 0.000 0.705 336 R CB -3.063 27.299 30.300 0.103 0.000 1.124 336 R HN 0.628 nan 8.270 nan 0.000 0.444 337 Y N 1.634 122.049 120.300 0.192 0.000 2.193 337 Y HA -0.309 4.241 4.550 0.001 0.000 0.285 337 Y C 2.326 178.290 175.900 0.107 0.000 1.166 337 Y CA 2.301 60.517 58.100 0.193 0.000 1.181 337 Y CB -0.233 38.320 38.460 0.155 0.000 0.976 337 Y HN 0.433 nan 8.280 nan 0.000 0.520 338 S N -0.106 115.644 115.700 0.083 0.000 2.402 338 S HA -0.226 4.244 4.470 0.000 0.000 0.233 338 S C 1.668 176.221 174.600 -0.079 0.000 1.030 338 S CA 1.658 59.836 58.200 -0.036 0.000 1.003 338 S CB -0.379 62.846 63.200 0.041 0.000 0.813 338 S HN 0.624 nan 8.310 nan 0.000 0.477 339 R N 0.622 121.108 120.500 -0.023 0.000 2.572 339 R HA 0.482 4.822 4.340 0.000 0.000 0.370 339 R C 0.108 176.410 176.300 0.003 0.000 1.005 339 R CA 0.242 56.332 56.100 -0.016 0.000 1.146 339 R CB 0.730 31.038 30.300 0.013 0.000 1.390 339 R HN 0.404 nan 8.270 nan 0.000 0.553 340 A N 1.661 124.484 122.820 0.005 0.000 2.462 340 A HA 0.093 4.413 4.320 0.000 0.000 0.243 340 A C 0.260 177.843 177.584 -0.001 0.000 1.076 340 A CA 0.099 52.172 52.037 0.060 0.000 0.773 340 A CB 0.381 19.454 19.000 0.121 0.000 1.010 340 A HN 0.108 nan 8.150 nan 0.000 0.493 341 Q N 0.648 120.474 119.800 0.044 0.000 2.260 341 Q HA 0.113 4.453 4.340 0.000 0.000 0.238 341 Q C 0.562 176.598 176.000 0.061 0.000 0.948 341 Q CA -0.303 55.534 55.803 0.057 0.000 0.895 341 Q CB 0.712 29.495 28.738 0.075 0.000 1.218 341 Q HN 0.868 nan 8.270 nan 0.000 0.470 342 Y N 2.463 122.747 120.300 -0.026 0.000 2.114 342 Y HA -0.327 4.224 4.550 0.000 0.000 0.282 342 Y C 1.346 177.237 175.900 -0.015 0.000 1.165 342 Y CA 2.376 60.459 58.100 -0.027 0.000 1.148 342 Y CB 0.237 38.682 38.460 -0.026 0.000 0.972 342 Y HN 0.644 nan 8.280 nan 0.000 0.504 343 D N -0.126 120.393 120.400 0.198 0.000 2.097 343 D HA -0.165 4.475 4.640 0.000 0.000 0.195 343 D C 2.272 178.574 176.300 0.004 0.000 0.989 343 D CA 1.416 55.482 54.000 0.111 0.000 0.827 343 D CB -0.327 40.560 40.800 0.145 0.000 0.966 343 D HN 0.399 nan 8.370 nan 0.000 0.456 344 R N 0.291 120.811 120.500 0.035 0.000 2.115 344 R HA -0.041 4.299 4.340 0.000 0.000 0.230 344 R C 2.347 178.648 176.300 0.002 0.000 1.111 344 R CA 0.412 56.560 56.100 0.079 0.000 0.976 344 R CB -0.190 30.215 30.300 0.174 0.000 0.870 344 R HN 0.090 nan 8.270 nan 0.000 0.445 345 V N 0.985 120.785 119.914 -0.190 0.000 2.358 345 V HA -0.261 3.859 4.120 0.000 0.000 0.246 345 V C 2.383 178.380 176.094 -0.162 0.000 1.047 345 V CA 1.478 63.584 62.300 -0.324 0.000 1.035 345 V CB -0.278 31.369 31.823 -0.293 0.000 0.658 345 V HN 0.274 nan 8.190 nan 0.000 0.452 346 M N -0.544 118.907 119.600 -0.249 0.000 2.175 346 M HA -0.121 4.359 4.480 0.000 0.000 0.264 346 M C 2.103 178.394 176.300 -0.016 0.000 1.063 346 M CA 1.506 56.686 55.300 -0.199 0.000 1.119 346 M CB -1.147 31.207 32.600 -0.410 0.000 1.377 346 M HN 0.449 nan 8.290 nan 0.000 0.415 347 E N -0.293 119.907 120.200 0.001 0.000 2.152 347 E HA -0.142 4.208 4.350 0.000 0.000 0.192 347 E C 1.676 178.336 176.600 0.101 0.000 0.983 347 E CA 0.985 57.421 56.400 0.060 0.000 0.818 347 E CB 0.187 29.923 29.700 0.060 0.000 0.758 347 E HN 0.610 nan 8.360 nan 0.000 0.467 348 E N 0.006 120.282 120.200 0.128 0.000 2.288 348 E HA 0.098 4.448 4.350 0.000 0.000 0.200 348 E C 1.996 178.706 176.600 0.184 0.000 0.880 348 E CA -0.139 56.366 56.400 0.174 0.000 0.971 348 E CB 0.134 29.989 29.700 0.259 0.000 0.954 348 E HN 0.038 nan 8.360 nan 0.000 0.489 349 L N 0.646 121.982 121.223 0.188 0.000 2.072 349 L HA -0.104 4.236 4.340 0.000 0.000 0.205 349 L C 2.464 179.388 176.870 0.090 0.000 1.079 349 L CA 1.162 56.090 54.840 0.146 0.000 0.752 349 L CB -0.109 41.988 42.059 0.064 0.000 0.906 349 L HN 0.190 nan 8.230 nan 0.000 0.436 350 Y N 1.347 121.647 120.300 0.000 0.000 2.128 350 Y HA -0.187 4.364 4.550 0.000 0.000 0.284 350 Y C -0.669 175.241 175.900 0.016 0.000 1.154 350 Y CA 1.794 59.893 58.100 -0.002 0.000 1.149 350 Y CB -1.323 37.122 38.460 -0.025 0.000 0.976 350 Y HN 0.199 nan 8.280 nan 0.000 0.505 351 P HA -0.141 nan 4.420 nan 0.000 0.218 351 P C 1.108 178.325 177.300 -0.139 0.000 1.148 351 P CA 1.949 64.992 63.100 -0.094 0.000 0.822 351 P CB -0.055 31.667 31.700 0.037 0.000 0.784 352 R N -1.086 119.367 120.500 -0.078 0.000 2.062 352 R HA -0.066 4.274 4.340 0.000 0.000 0.229 352 R C 2.189 178.418 176.300 -0.118 0.000 1.128 352 R CA 0.905 56.973 56.100 -0.053 0.000 0.960 352 R CB -1.265 29.046 30.300 0.018 0.000 0.855 352 R HN 0.148 nan 8.270 nan 0.000 0.432 353 L N 1.883 123.000 121.223 -0.176 0.000 2.012 353 L HA -0.208 4.132 4.340 0.000 0.000 0.210 353 L C 2.245 178.954 176.870 -0.268 0.000 1.073 353 L CA 1.895 56.612 54.840 -0.204 0.000 0.748 353 L CB -0.461 41.492 42.059 -0.178 0.000 0.891 353 L HN 0.018 nan 8.230 nan 0.000 0.431 354 K N -1.243 118.872 120.400 -0.474 0.000 2.063 354 K HA -0.206 4.114 4.320 0.000 0.000 0.208 354 K C 2.335 178.817 176.600 -0.197 0.000 1.048 354 K CA 1.644 57.697 56.287 -0.389 0.000 0.928 354 K CB -0.324 31.866 32.500 -0.517 0.000 0.713 354 K HN 0.444 nan 8.250 nan 0.000 0.442 355 S N 0.707 116.308 115.700 -0.164 0.000 2.356 355 S HA -0.094 4.376 4.470 0.000 0.000 0.223 355 S C 1.996 176.544 174.600 -0.087 0.000 1.032 355 S CA 1.116 59.258 58.200 -0.097 0.000 1.005 355 S CB -0.251 62.913 63.200 -0.060 0.000 0.867 355 S HN 0.360 nan 8.310 nan 0.000 0.449 356 L N 0.691 121.863 121.223 -0.086 0.000 2.046 356 L HA -0.094 4.246 4.340 0.000 0.000 0.208 356 L C 2.780 179.602 176.870 -0.081 0.000 1.077 356 L CA 1.654 56.449 54.840 -0.075 0.000 0.747 356 L CB -1.159 40.842 42.059 -0.095 0.000 0.896 356 L HN 0.354 nan 8.230 nan 0.000 0.432 357 T N 0.202 114.705 114.554 -0.084 0.000 2.777 357 T HA -0.123 4.227 4.350 0.000 0.000 0.266 357 T C 2.001 176.607 174.700 -0.157 0.000 1.040 357 T CA 1.038 63.107 62.100 -0.052 0.000 1.141 357 T CB -0.206 68.664 68.868 0.003 0.000 0.868 357 T HN 0.186 nan 8.240 nan 0.000 0.444 358 L N 0.252 121.377 121.223 -0.163 0.000 2.083 358 L HA -0.056 4.284 4.340 0.000 0.000 0.209 358 L C 2.431 179.154 176.870 -0.244 0.000 1.083 358 L CA 0.776 55.484 54.840 -0.220 0.000 0.752 358 L CB -0.476 41.493 42.059 -0.150 0.000 0.899 358 L HN 0.228 nan 8.230 nan 0.000 0.433 359 L N 0.017 121.140 121.223 -0.166 0.000 2.056 359 L HA -0.099 4.241 4.340 0.000 0.000 0.207 359 L C 2.655 179.474 176.870 -0.086 0.000 1.078 359 L CA 1.901 56.660 54.840 -0.134 0.000 0.749 359 L CB -0.645 41.349 42.059 -0.108 0.000 0.901 359 L HN 0.127 nan 8.230 nan 0.000 0.433 360 A N -0.403 122.366 122.820 -0.086 0.000 1.908 360 A HA -0.262 4.058 4.320 0.000 0.000 0.218 360 A C 2.549 180.025 177.584 -0.179 0.000 1.181 360 A CA 1.870 53.903 52.037 -0.008 0.000 0.627 360 A CB -0.707 18.349 19.000 0.094 0.000 0.818 360 A HN 0.491 nan 8.150 nan 0.000 0.445 361 R N -0.318 119.771 120.500 -0.685 0.000 2.096 361 R HA -0.163 4.177 4.340 0.000 0.000 0.235 361 R C 2.203 178.124 176.300 -0.633 0.000 1.127 361 R CA 1.764 57.060 56.100 -1.341 0.000 0.968 361 R CB -0.351 28.941 30.300 -1.681 0.000 0.861 361 R HN 0.719 nan 8.270 nan 0.000 0.440 362 Q N -0.974 118.572 119.800 -0.424 0.000 2.181 362 Q HA -0.192 4.149 4.340 0.000 0.000 0.205 362 Q C 1.174 176.973 176.000 -0.335 0.000 0.980 362 Q CA 1.733 57.315 55.803 -0.368 0.000 0.862 362 Q CB -0.014 28.480 28.738 -0.406 0.000 0.905 362 Q HN 0.504 nan 8.270 nan 0.000 0.429 363 Y N -0.368 119.857 120.300 -0.126 0.000 2.457 363 Y HA 0.019 4.570 4.550 0.000 0.000 0.263 363 Y C 0.033 175.946 175.900 0.021 0.000 1.164 363 Y CA -0.080 57.995 58.100 -0.041 0.000 1.274 363 Y CB 0.675 39.115 38.460 -0.033 0.000 1.097 363 Y HN 0.043 nan 8.280 nan 0.000 0.523 364 D N 1.362 121.857 120.400 0.158 0.000 2.699 364 D HA -0.205 4.435 4.640 0.000 0.000 0.239 364 D C -0.555 175.939 176.300 0.324 0.000 1.136 364 D CA 0.734 54.926 54.000 0.321 0.000 0.668 364 D CB -1.232 39.714 40.800 0.244 0.000 1.060 364 D HN 0.555 nan 8.370 nan 0.000 0.429 365 I N -3.041 117.737 120.570 0.348 0.000 2.693 365 I HA 0.782 4.952 4.170 0.000 0.000 0.303 365 I C 1.067 177.348 176.117 0.274 0.000 1.025 365 I CA -0.848 60.594 61.300 0.237 0.000 1.086 365 I CB 1.996 40.091 38.000 0.160 0.000 1.268 365 I HN 0.024 nan 8.210 nan 0.000 0.440 366 G N 4.320 113.177 108.800 0.096 0.000 2.441 366 G HA2 0.421 4.381 3.960 0.000 0.000 0.243 366 G HA3 0.421 4.381 3.960 0.000 0.000 0.243 366 G C -0.815 174.146 174.900 0.102 0.000 1.281 366 G CA -0.433 44.678 45.100 0.020 0.000 0.854 366 G HN 0.780 nan 8.290 nan 0.000 0.560 367 I N 1.516 122.150 120.570 0.106 0.000 2.468 367 I HA 0.357 4.528 4.170 0.000 0.000 0.285 367 I C -0.973 175.175 176.117 0.052 0.000 1.039 367 I CA -1.016 60.338 61.300 0.090 0.000 1.074 367 I CB 1.680 39.754 38.000 0.123 0.000 1.228 367 I HN 0.480 nan 8.210 nan 0.000 0.436 368 N N 7.143 125.859 118.700 0.027 0.000 2.400 368 N HA 0.496 5.236 4.740 0.000 0.000 0.288 368 N C -1.234 174.276 175.510 0.000 0.000 1.024 368 N CA -0.518 52.547 53.050 0.024 0.000 0.894 368 N CB 1.421 39.917 38.487 0.015 0.000 1.173 368 N HN 0.532 nan 8.380 nan 0.000 0.487 369 I N 2.475 123.061 120.570 0.026 0.000 2.301 369 I HA 0.152 4.322 4.170 0.000 0.000 0.292 369 I C -0.089 175.943 176.117 -0.142 0.000 1.046 369 I CA -0.641 60.648 61.300 -0.018 0.000 1.282 369 I CB 0.484 38.562 38.000 0.129 0.000 1.409 369 I HN 0.458 nan 8.210 nan 0.000 0.484 370 D N 5.275 125.618 120.400 -0.095 0.000 2.382 370 D HA 0.288 4.928 4.640 0.000 0.000 0.240 370 D C 0.132 176.353 176.300 -0.133 0.000 1.146 370 D CA 0.146 54.099 54.000 -0.079 0.000 0.897 370 D CB 1.135 41.945 40.800 0.016 0.000 1.197 370 D HN 0.568 nan 8.370 nan 0.000 0.432 371 A N 2.025 124.780 122.820 -0.109 0.000 2.290 371 A HA 0.445 4.766 4.320 0.000 0.000 0.310 371 A C 0.369 177.974 177.584 0.035 0.000 1.202 371 A CA -0.457 51.527 52.037 -0.089 0.000 0.837 371 A CB 0.808 19.749 19.000 -0.100 0.000 1.139 371 A HN 0.543 nan 8.150 nan 0.000 0.509 372 E N 0.487 120.653 120.200 -0.056 0.000 3.446 372 E HA 0.219 4.569 4.350 0.000 0.000 0.229 372 E C -0.333 175.944 176.600 -0.539 0.000 0.740 372 E CA -0.843 55.363 56.400 -0.323 0.000 1.531 372 E CB 0.036 29.664 29.700 -0.119 0.000 1.891 372 E HN 0.844 nan 8.360 nan 0.000 0.383 373 E N 1.314 121.212 120.200 -0.504 0.000 2.404 373 E HA -0.031 4.320 4.350 0.000 0.000 0.261 373 E C 0.690 177.225 176.600 -0.109 0.000 1.074 373 E CA 0.396 56.605 56.400 -0.319 0.000 0.917 373 E CB 1.105 30.690 29.700 -0.191 0.000 0.965 373 E HN 0.474 nan 8.360 nan 0.000 0.433 374 S N 1.365 117.045 115.700 -0.033 0.000 2.423 374 S HA -0.202 4.268 4.470 0.000 0.000 0.231 374 S C 1.037 175.657 174.600 0.032 0.000 1.014 374 S CA 1.172 59.387 58.200 0.025 0.000 0.965 374 S CB -0.336 62.907 63.200 0.071 0.000 0.785 374 S HN 0.671 nan 8.310 nan 0.000 0.495 375 D N 0.609 121.032 120.400 0.039 0.000 2.352 375 D HA -0.013 4.627 4.640 0.000 0.000 0.232 375 D C 1.438 177.720 176.300 -0.029 0.000 1.055 375 D CA 0.100 54.133 54.000 0.055 0.000 0.891 375 D CB -0.250 40.578 40.800 0.046 0.000 0.897 375 D HN 0.286 nan 8.370 nan 0.000 0.529 376 R N -0.272 120.199 120.500 -0.048 0.000 2.397 376 R HA 0.185 4.526 4.340 0.000 0.000 0.241 376 R C 1.603 177.915 176.300 0.021 0.000 0.914 376 R CA -0.278 55.782 56.100 -0.067 0.000 1.071 376 R CB -0.244 30.022 30.300 -0.056 0.000 1.116 376 R HN 0.193 nan 8.270 nan 0.000 0.524 377 L N 1.890 123.115 121.223 0.002 0.000 1.989 377 L HA -0.139 4.201 4.340 0.000 0.000 0.211 377 L C 1.970 178.864 176.870 0.038 0.000 1.071 377 L CA 2.000 56.859 54.840 0.031 0.000 0.749 377 L CB -0.257 41.780 42.059 -0.037 0.000 0.890 377 L HN 0.007 nan 8.230 nan 0.000 0.431 378 E N -0.375 119.805 120.200 -0.033 0.000 2.058 378 E HA -0.258 4.093 4.350 0.000 0.000 0.194 378 E C 2.256 178.872 176.600 0.026 0.000 0.997 378 E CA 1.790 58.168 56.400 -0.037 0.000 0.801 378 E CB -0.521 29.146 29.700 -0.054 0.000 0.746 378 E HN 0.558 nan 8.360 nan 0.000 0.450 379 I N 1.452 122.051 120.570 0.049 0.000 2.361 379 I HA -0.240 3.930 4.170 0.000 0.000 0.251 379 I C 2.415 178.617 176.117 0.142 0.000 1.133 379 I CA 1.505 62.859 61.300 0.089 0.000 1.413 379 I CB -0.338 37.687 38.000 0.042 0.000 1.073 379 I HN 0.026 nan 8.210 nan 0.000 0.424 380 S N 0.147 115.965 115.700 0.196 0.000 2.382 380 S HA -0.159 4.312 4.470 0.000 0.000 0.228 380 S C 2.040 176.806 174.600 0.277 0.000 1.027 380 S CA 1.302 59.681 58.200 0.299 0.000 0.991 380 S CB -1.024 62.397 63.200 0.368 0.000 0.823 380 S HN 0.518 nan 8.310 nan 0.000 0.469 381 L N 1.337 122.659 121.223 0.165 0.000 2.056 381 L HA -0.080 4.260 4.340 0.000 0.000 0.207 381 L C 2.448 179.329 176.870 0.020 0.000 1.078 381 L CA 1.487 56.330 54.840 0.005 0.000 0.749 381 L CB -0.736 41.221 42.059 -0.170 0.000 0.901 381 L HN 0.258 nan 8.230 nan 0.000 0.433 382 D N 0.312 120.741 120.400 0.048 0.000 2.123 382 D HA -0.169 4.472 4.640 0.000 0.000 0.196 382 D C 2.382 178.727 176.300 0.076 0.000 0.992 382 D CA 1.227 55.276 54.000 0.081 0.000 0.833 382 D CB -0.165 40.733 40.800 0.163 0.000 0.954 382 D HN 0.269 nan 8.370 nan 0.000 0.455 383 L N 0.081 121.368 121.223 0.106 0.000 2.056 383 L HA -0.142 4.198 4.340 0.000 0.000 0.207 383 L C 2.429 179.423 176.870 0.207 0.000 1.078 383 L CA 0.423 55.365 54.840 0.171 0.000 0.749 383 L CB -0.317 41.874 42.059 0.219 0.000 0.901 383 L HN 0.061 nan 8.230 nan 0.000 0.433 384 L N 0.349 121.658 121.223 0.142 0.000 2.046 384 L HA -0.234 4.106 4.340 0.000 0.000 0.208 384 L C 2.466 179.399 176.870 0.105 0.000 1.077 384 L CA 1.936 56.817 54.840 0.067 0.000 0.747 384 L CB -0.483 41.450 42.059 -0.211 0.000 0.896 384 L HN 0.253 nan 8.230 nan 0.000 0.432 385 E N 0.126 120.415 120.200 0.147 0.000 2.049 385 E HA -0.323 4.028 4.350 0.000 0.000 0.198 385 E C 2.320 179.087 176.600 0.279 0.000 1.007 385 E CA 2.206 58.749 56.400 0.239 0.000 0.809 385 E CB -0.337 29.503 29.700 0.234 0.000 0.749 385 E HN 0.507 nan 8.360 nan 0.000 0.450 386 K N -0.517 119.975 120.400 0.154 0.000 2.057 386 K HA -0.156 4.164 4.320 0.000 0.000 0.207 386 K C 2.191 178.945 176.600 0.258 0.000 1.049 386 K CA 1.284 57.617 56.287 0.077 0.000 0.931 386 K CB -0.307 31.986 32.500 -0.345 0.000 0.714 386 K HN 0.224 nan 8.250 nan 0.000 0.440 387 L N 1.190 122.629 121.223 0.359 0.000 2.042 387 L HA -0.213 4.127 4.340 0.000 0.000 0.210 387 L C 2.016 179.004 176.870 0.196 0.000 1.076 387 L CA 1.703 56.754 54.840 0.351 0.000 0.749 387 L CB -0.634 41.585 42.059 0.267 0.000 0.893 387 L HN 0.307 nan 8.230 nan 0.000 0.432 388 C N -1.017 118.350 119.300 0.112 0.000 2.449 388 C HA -0.063 4.397 4.460 0.000 0.000 0.283 388 C C 2.054 176.900 174.990 -0.240 0.000 1.453 388 C CA 0.318 59.283 59.018 -0.089 0.000 1.779 388 C CB -1.609 25.998 27.740 -0.222 0.000 1.779 388 C HN 0.500 nan 8.230 nan 0.000 0.546 389 F N 0.130 120.119 119.950 0.066 0.000 2.664 389 F HA 0.196 4.723 4.527 0.000 0.000 0.303 389 F C 0.955 176.793 175.800 0.064 0.000 1.092 389 F CA 0.039 58.070 58.000 0.052 0.000 1.305 389 F CB -0.059 38.961 39.000 0.032 0.000 1.054 389 F HN 0.055 nan 8.300 nan 0.000 0.565 390 E N 1.887 122.206 120.200 0.199 0.000 2.351 390 E HA 0.013 4.363 4.350 0.000 0.000 0.266 390 E C -1.599 175.063 176.600 0.103 0.000 1.031 390 E CA -1.388 55.105 56.400 0.155 0.000 0.911 390 E CB 0.657 30.442 29.700 0.142 0.000 0.986 390 E HN 0.113 nan 8.360 nan 0.000 0.446 391 P HA -0.174 nan 4.420 nan 0.000 0.216 391 P C 0.683 178.005 177.300 0.037 0.000 1.150 391 P CA 1.298 64.436 63.100 0.064 0.000 0.843 391 P CB 0.319 32.052 31.700 0.054 0.000 0.787 392 E N -1.043 119.170 120.200 0.022 0.000 2.418 392 E HA -0.034 4.316 4.350 0.000 0.000 0.197 392 E C 1.327 177.909 176.600 -0.031 0.000 1.026 392 E CA 0.512 56.902 56.400 -0.017 0.000 0.862 392 E CB -0.343 29.334 29.700 -0.039 0.000 0.799 392 E HN 0.311 nan 8.360 nan 0.000 0.518 393 L N 0.271 121.506 121.223 0.019 0.000 2.667 393 L HA 0.273 4.614 4.340 0.000 0.000 0.232 393 L C 0.700 177.643 176.870 0.120 0.000 1.138 393 L CA -0.671 54.214 54.840 0.074 0.000 0.921 393 L CB 0.226 42.361 42.059 0.126 0.000 1.180 393 L HN -0.051 nan 8.230 nan 0.000 0.487 394 A N 0.395 123.256 122.820 0.068 0.000 2.520 394 A HA 0.406 4.726 4.320 0.000 0.000 0.245 394 A C 1.470 179.102 177.584 0.080 0.000 1.072 394 A CA 0.783 52.853 52.037 0.054 0.000 0.761 394 A CB -0.169 18.854 19.000 0.038 0.000 1.004 394 A HN 0.592 nan 8.150 nan 0.000 0.499 395 G N 0.480 109.318 108.800 0.065 0.000 2.184 395 G HA2 -0.274 3.686 3.960 0.000 0.000 0.264 395 G HA3 -0.274 3.686 3.960 0.000 0.000 0.264 395 G C -0.069 174.911 174.900 0.134 0.000 0.975 395 G CA 0.642 45.784 45.100 0.069 0.000 0.642 395 G HN 1.448 nan 8.290 nan 0.000 0.536 396 W N 1.249 122.520 121.300 -0.048 0.000 2.478 396 W HA 0.747 5.407 4.660 0.000 0.000 0.318 396 W C 0.102 176.583 176.519 -0.065 0.000 1.062 396 W CA -1.198 56.116 57.345 -0.053 0.000 1.210 396 W CB 0.920 30.350 29.460 -0.050 0.000 1.325 396 W HN -0.056 nan 8.180 nan 0.000 0.496 397 N N 3.463 121.749 118.700 -0.690 0.000 2.321 397 N HA 0.126 4.866 4.740 0.000 0.000 0.242 397 N C 1.028 175.969 175.510 -0.949 0.000 1.141 397 N CA 0.194 52.877 53.050 -0.612 0.000 0.864 397 N CB 1.046 39.318 38.487 -0.359 0.000 1.100 397 N HN 0.726 nan 8.380 nan 0.000 0.510 398 G N -0.052 107.643 108.800 -1.842 0.000 3.042 398 G HA2 0.144 4.104 3.960 0.000 0.000 0.212 398 G HA3 0.144 4.104 3.960 0.000 0.000 0.212 398 G C 0.529 174.973 174.900 -0.760 0.000 1.166 398 G CA -0.178 43.924 45.100 -1.664 0.000 0.767 398 G HN 0.209 nan 8.290 nan 0.000 0.546 399 I N 1.937 122.239 120.570 -0.446 0.000 2.452 399 I HA 0.355 4.526 4.170 0.000 0.000 0.287 399 I C 0.940 177.020 176.117 -0.062 0.000 1.079 399 I CA -0.168 61.087 61.300 -0.076 0.000 1.387 399 I CB 1.111 39.122 38.000 0.018 0.000 1.404 399 I HN 0.030 nan 8.210 nan 0.000 0.522 400 G N 5.720 114.532 108.800 0.020 0.000 2.473 400 G HA2 0.713 4.673 3.960 0.000 0.000 0.321 400 G HA3 0.713 4.673 3.960 0.000 0.000 0.321 400 G C -1.673 173.343 174.900 0.194 0.000 1.200 400 G CA -0.330 44.809 45.100 0.066 0.000 0.963 400 G HN 0.395 nan 8.290 nan 0.000 0.483 401 F N 1.040 120.982 119.950 -0.013 0.000 2.604 401 F HA 0.482 5.009 4.527 0.000 0.000 0.316 401 F C -0.688 175.114 175.800 0.003 0.000 1.136 401 F CA -0.733 57.273 58.000 0.009 0.000 0.989 401 F CB 1.975 40.989 39.000 0.024 0.000 1.258 401 F HN 0.427 nan 8.300 nan 0.000 0.451 402 V N 6.642 126.322 119.914 -0.391 0.000 2.546 402 V HA 0.485 4.605 4.120 0.000 0.000 0.284 402 V C 0.142 176.071 176.094 -0.275 0.000 1.050 402 V CA -0.458 61.693 62.300 -0.250 0.000 0.981 402 V CB 1.362 33.069 31.823 -0.194 0.000 0.990 402 V HN 0.613 nan 8.190 nan 0.000 0.474 403 I N 2.112 122.643 120.570 -0.065 0.000 2.689 403 I HA 0.664 4.834 4.170 0.000 0.000 0.299 403 I C -0.789 175.342 176.117 0.023 0.000 1.059 403 I CA -0.944 60.366 61.300 0.017 0.000 1.055 403 I CB 2.163 40.228 38.000 0.109 0.000 1.243 403 I HN 0.479 nan 8.210 nan 0.000 0.425 404 Q N 3.678 123.522 119.800 0.074 0.000 2.372 404 Q HA 0.507 4.848 4.340 0.000 0.000 0.259 404 Q C 0.727 176.843 176.000 0.193 0.000 0.993 404 Q CA -0.516 55.332 55.803 0.075 0.000 0.854 404 Q CB 2.163 30.971 28.738 0.117 0.000 1.231 404 Q HN 0.885 nan 8.270 nan 0.000 0.462 405 A N 2.938 125.864 122.820 0.177 0.000 2.125 405 A HA -0.189 4.131 4.320 0.000 0.000 0.219 405 A C 1.333 179.203 177.584 0.478 0.000 1.156 405 A CA 1.087 53.292 52.037 0.279 0.000 0.671 405 A CB -0.435 18.735 19.000 0.284 0.000 0.794 405 A HN 0.854 nan 8.150 nan 0.000 0.459 406 Y N 0.004 120.504 120.300 0.334 0.000 2.616 406 Y HA 0.190 4.740 4.550 0.001 0.000 0.296 406 Y C 0.509 176.615 175.900 0.343 0.000 1.154 406 Y CA -0.497 57.866 58.100 0.437 0.000 1.325 406 Y CB -1.347 37.349 38.460 0.394 0.000 1.007 406 Y HN 0.394 nan 8.280 nan 0.000 0.542 407 Q N 1.419 121.550 119.800 0.552 0.000 2.259 407 Q HA 0.152 4.492 4.340 0.000 0.000 0.249 407 Q C 0.628 176.682 176.000 0.091 0.000 0.914 407 Q CA -0.392 55.531 55.803 0.200 0.000 0.904 407 Q CB 1.591 30.456 28.738 0.211 0.000 1.213 407 Q HN 0.291 nan 8.270 nan 0.000 0.428 408 K N 1.348 121.668 120.400 -0.133 0.000 2.209 408 K HA -0.147 4.173 4.320 0.000 0.000 0.204 408 K C 1.535 178.173 176.600 0.063 0.000 1.048 408 K CA 1.151 57.384 56.287 -0.091 0.000 0.940 408 K CB 0.127 32.545 32.500 -0.136 0.000 0.729 408 K HN 0.381 nan 8.250 nan 0.000 0.451 409 R N -0.056 120.474 120.500 0.050 0.000 2.276 409 R HA -0.020 4.321 4.340 0.000 0.000 0.203 409 R C 2.283 178.635 176.300 0.086 0.000 1.017 409 R CA 0.307 56.433 56.100 0.043 0.000 1.010 409 R CB -0.413 29.864 30.300 -0.038 0.000 0.900 409 R HN 0.263 nan 8.270 nan 0.000 0.469 410 C N 1.605 120.985 119.300 0.134 0.000 2.393 410 C HA -0.056 4.405 4.460 0.000 0.000 0.276 410 C C -0.564 174.498 174.990 0.120 0.000 1.215 410 C CA 0.862 59.966 59.018 0.144 0.000 1.743 410 C CB -0.791 27.059 27.740 0.182 0.000 2.044 410 C HN 0.284 nan 8.230 nan 0.000 0.464 411 P HA -0.057 nan 4.420 nan 0.000 0.218 411 P C 1.606 178.958 177.300 0.087 0.000 1.149 411 P CA 1.189 64.346 63.100 0.094 0.000 0.817 411 P CB -0.265 31.492 31.700 0.095 0.000 0.785 412 L N -1.169 120.106 121.223 0.088 0.000 2.156 412 L HA -0.060 4.280 4.340 0.000 0.000 0.208 412 L C 2.390 179.326 176.870 0.110 0.000 1.095 412 L CA 1.391 56.281 54.840 0.083 0.000 0.770 412 L CB -1.769 40.327 42.059 0.061 0.000 0.914 412 L HN -0.083 nan 8.230 nan 0.000 0.439 413 V N 0.185 120.169 119.914 0.117 0.000 2.407 413 V HA -0.270 3.850 4.120 0.000 0.000 0.248 413 V C 2.529 178.737 176.094 0.189 0.000 1.055 413 V CA 1.434 63.838 62.300 0.173 0.000 1.049 413 V CB -0.280 31.649 31.823 0.177 0.000 0.662 413 V HN 0.278 nan 8.190 nan 0.000 0.455 414 I N 0.066 120.710 120.570 0.124 0.000 2.226 414 I HA -0.226 3.945 4.170 0.000 0.000 0.245 414 I C 2.289 178.440 176.117 0.056 0.000 1.100 414 I CA 1.534 62.881 61.300 0.078 0.000 1.374 414 I CB -0.493 37.539 38.000 0.053 0.000 1.057 414 I HN 0.308 nan 8.210 nan 0.000 0.413 415 D N 0.119 120.564 120.400 0.074 0.000 2.123 415 D HA -0.250 4.390 4.640 0.000 0.000 0.196 415 D C 1.910 178.247 176.300 0.062 0.000 0.992 415 D CA 1.425 55.460 54.000 0.059 0.000 0.833 415 D CB -0.412 40.430 40.800 0.070 0.000 0.954 415 D HN 0.408 nan 8.370 nan 0.000 0.455 416 Y N 1.420 121.723 120.300 0.005 0.000 2.181 416 Y HA -0.131 4.420 4.550 0.000 0.000 0.288 416 Y C 2.128 178.017 175.900 -0.019 0.000 1.146 416 Y CA 1.254 59.352 58.100 -0.004 0.000 1.164 416 Y CB -0.496 37.959 38.460 -0.008 0.000 0.982 416 Y HN -0.094 nan 8.280 nan 0.000 0.515 417 L N -0.264 120.794 121.223 -0.275 0.000 2.083 417 L HA -0.215 4.125 4.340 0.000 0.000 0.209 417 L C 2.489 179.195 176.870 -0.273 0.000 1.083 417 L CA 1.386 56.009 54.840 -0.363 0.000 0.752 417 L CB -0.571 41.419 42.059 -0.115 0.000 0.899 417 L HN 0.281 nan 8.230 nan 0.000 0.433 418 I N 0.166 120.644 120.570 -0.154 0.000 2.163 418 I HA -0.340 3.830 4.170 0.000 0.000 0.243 418 I C 2.220 178.259 176.117 -0.129 0.000 1.085 418 I CA 1.820 63.056 61.300 -0.107 0.000 1.347 418 I CB -0.302 37.667 38.000 -0.051 0.000 1.044 418 I HN 0.315 nan 8.210 nan 0.000 0.408 419 D N 0.652 120.962 120.400 -0.149 0.000 2.144 419 D HA -0.209 4.431 4.640 0.000 0.000 0.200 419 D C 2.036 178.237 176.300 -0.165 0.000 0.978 419 D CA 0.875 54.803 54.000 -0.120 0.000 0.833 419 D CB 0.077 40.836 40.800 -0.069 0.000 0.961 419 D HN 0.158 nan 8.370 nan 0.000 0.470 420 L N 0.370 121.389 121.223 -0.340 0.000 2.056 420 L HA 0.072 4.412 4.340 0.000 0.000 0.207 420 L C 2.145 178.876 176.870 -0.231 0.000 1.078 420 L CA 2.020 56.670 54.840 -0.316 0.000 0.749 420 L CB -0.992 40.721 42.059 -0.576 0.000 0.901 420 L HN 0.075 nan 8.230 nan 0.000 0.433 421 A N -1.420 121.269 122.820 -0.218 0.000 1.908 421 A HA -0.203 4.117 4.320 0.000 0.000 0.218 421 A C 2.251 179.759 177.584 -0.127 0.000 1.181 421 A CA 2.326 54.263 52.037 -0.166 0.000 0.627 421 A CB -1.226 17.698 19.000 -0.127 0.000 0.818 421 A HN 0.529 nan 8.150 nan 0.000 0.445 422 T N -0.387 114.109 114.554 -0.097 0.000 2.674 422 T HA -0.132 4.218 4.350 0.000 0.000 0.265 422 T C 2.092 176.770 174.700 -0.037 0.000 1.039 422 T CA 1.562 63.629 62.100 -0.056 0.000 1.150 422 T CB -0.233 68.614 68.868 -0.037 0.000 0.864 422 T HN 0.513 nan 8.240 nan 0.000 0.427 423 R N 1.309 121.801 120.500 -0.013 0.000 2.096 423 R HA -0.037 4.303 4.340 0.000 0.000 0.235 423 R C 2.672 178.990 176.300 0.031 0.000 1.127 423 R CA 1.636 57.789 56.100 0.088 0.000 0.968 423 R CB -0.262 30.177 30.300 0.231 0.000 0.861 423 R HN 0.456 nan 8.270 nan 0.000 0.440 424 S N -0.484 115.065 115.700 -0.252 0.000 2.575 424 S HA 0.137 4.607 4.470 0.000 0.000 0.215 424 S C 0.846 175.268 174.600 -0.297 0.000 0.966 424 S CA 0.364 58.189 58.200 -0.624 0.000 0.911 424 S CB 0.403 62.964 63.200 -1.065 0.000 0.780 424 S HN 0.429 nan 8.310 nan 0.000 0.514 425 R N 0.726 121.131 120.500 -0.158 0.000 3.267 425 R HA -0.169 4.171 4.340 0.000 0.000 0.254 425 R C 0.004 176.246 176.300 -0.096 0.000 0.993 425 R CA 1.500 57.545 56.100 -0.092 0.000 0.670 425 R CB -3.146 27.122 30.300 -0.052 0.000 1.125 425 R HN 1.090 nan 8.270 nan 0.000 0.434 426 R N -1.621 118.812 120.500 -0.113 0.000 2.781 426 R HA 0.751 5.091 4.340 0.000 0.000 0.269 426 R C -0.576 175.669 176.300 -0.092 0.000 1.025 426 R CA -0.919 55.120 56.100 -0.102 0.000 0.914 426 R CB 1.349 31.575 30.300 -0.124 0.000 1.236 426 R HN 0.337 nan 8.270 nan 0.000 0.465 427 R N 1.741 122.190 120.500 -0.086 0.000 2.255 427 R HA 0.390 4.730 4.340 0.000 0.000 0.326 427 R C -0.873 175.379 176.300 -0.079 0.000 0.986 427 R CA -0.558 55.509 56.100 -0.054 0.000 0.847 427 R CB 0.884 31.179 30.300 -0.009 0.000 1.111 427 R HN 0.584 nan 8.270 nan 0.000 0.452 428 L N 5.335 126.523 121.223 -0.060 0.000 2.350 428 L HA 0.356 4.697 4.340 0.000 0.000 0.275 428 L C 0.286 177.156 176.870 -0.001 0.000 1.099 428 L CA -0.438 54.366 54.840 -0.060 0.000 0.808 428 L CB 1.501 43.520 42.059 -0.066 0.000 1.149 428 L HN 0.535 nan 8.230 nan 0.000 0.442 429 M N 4.824 124.421 119.600 -0.005 0.000 2.108 429 M HA 0.343 4.823 4.480 0.000 0.000 0.347 429 M C -0.875 175.445 176.300 0.035 0.000 1.326 429 M CA -0.147 55.194 55.300 0.070 0.000 1.126 429 M CB 0.655 33.281 32.600 0.042 0.000 1.606 429 M HN 0.278 nan 8.290 nan 0.000 0.462 430 I N 4.306 124.862 120.570 -0.023 0.000 2.355 430 I HA 0.369 4.539 4.170 0.000 0.000 0.288 430 I C 0.141 176.171 176.117 -0.145 0.000 0.999 430 I CA -0.496 60.779 61.300 -0.040 0.000 1.163 430 I CB 1.324 39.295 38.000 -0.048 0.000 1.316 430 I HN 0.665 nan 8.210 nan 0.000 0.454 431 R N 5.125 125.571 120.500 -0.090 0.000 2.216 431 R HA 0.376 4.716 4.340 0.000 0.000 0.332 431 R C -0.551 175.683 176.300 -0.109 0.000 1.056 431 R CA -0.837 55.191 56.100 -0.120 0.000 0.901 431 R CB 1.131 31.394 30.300 -0.062 0.000 1.039 431 R HN 0.332 nan 8.270 nan 0.000 0.456 432 L N 5.600 126.725 121.223 -0.163 0.000 2.260 432 L HA 0.294 4.634 4.340 0.000 0.000 0.289 432 L C -0.372 176.536 176.870 0.063 0.000 1.057 432 L CA -0.317 54.447 54.840 -0.126 0.000 0.811 432 L CB 1.295 43.181 42.059 -0.288 0.000 1.184 432 L HN 0.440 nan 8.230 nan 0.000 0.429 433 V N 2.308 122.277 119.914 0.093 0.000 3.074 433 V HA 0.602 4.722 4.120 0.000 0.000 0.314 433 V C 0.793 176.993 176.094 0.178 0.000 1.117 433 V CA -0.699 61.701 62.300 0.168 0.000 1.014 433 V CB 1.797 33.634 31.823 0.024 0.000 1.057 433 V HN 0.756 nan 8.190 nan 0.000 0.438 434 K N 1.530 122.000 120.400 0.116 0.000 2.076 434 K HA 0.493 4.813 4.320 0.000 0.000 0.204 434 K C 0.780 177.144 176.600 -0.394 0.000 1.051 434 K CA 1.153 57.461 56.287 0.035 0.000 0.949 434 K CB -0.004 32.506 32.500 0.016 0.000 0.726 434 K HN 1.425 nan 8.250 nan 0.000 0.443 435 G N -0.637 107.862 108.800 -0.502 0.000 2.397 435 G HA2 0.213 4.173 3.960 0.000 0.000 0.453 435 G HA3 0.213 4.173 3.960 0.000 0.000 0.453 435 G C -0.446 174.210 174.900 -0.408 0.000 1.579 435 G CA -0.398 44.116 45.100 -0.976 0.000 0.906 435 G HN 0.107 nan 8.290 nan 0.000 0.675 436 A N 0.632 123.379 122.820 -0.123 0.000 2.390 436 A HA 0.556 4.876 4.320 0.000 0.000 0.232 436 A C 0.724 178.198 177.584 -0.183 0.000 1.233 436 A CA 0.570 52.480 52.037 -0.211 0.000 0.907 436 A CB 0.084 18.810 19.000 -0.457 0.000 0.967 436 A HN 0.939 nan 8.150 nan 0.000 0.512 437 Y N -2.903 117.617 120.300 0.367 0.000 2.720 437 Y HA 0.163 4.713 4.550 0.000 0.000 0.277 437 Y C 1.195 177.292 175.900 0.329 0.000 1.144 437 Y CA -1.222 57.063 58.100 0.309 0.000 1.221 437 Y CB -0.283 38.325 38.460 0.247 0.000 1.163 437 Y HN 0.560 nan 8.280 nan 0.000 0.537 438 W N 1.753 123.287 121.300 0.389 0.000 2.355 438 W HA -0.198 4.462 4.660 0.000 0.000 0.309 438 W C 1.636 178.197 176.519 0.070 0.000 1.206 438 W CA 2.125 59.585 57.345 0.191 0.000 1.284 438 W CB -0.029 29.576 29.460 0.242 0.000 1.145 438 W HN 0.100 nan 8.180 nan 0.000 0.502 439 D N -0.430 120.122 120.400 0.252 0.000 2.123 439 D HA -0.188 4.452 4.640 0.000 0.000 0.196 439 D C 2.173 178.395 176.300 -0.129 0.000 0.992 439 D CA 2.054 56.057 54.000 0.004 0.000 0.833 439 D CB -0.451 40.444 40.800 0.158 0.000 0.954 439 D HN 0.168 nan 8.370 nan 0.000 0.455 440 S N 0.575 116.275 115.700 0.001 0.000 2.383 440 S HA -0.104 4.366 4.470 0.000 0.000 0.227 440 S C 1.772 176.333 174.600 -0.065 0.000 1.026 440 S CA 0.654 58.858 58.200 0.007 0.000 0.981 440 S CB 0.047 63.319 63.200 0.119 0.000 0.818 440 S HN 0.240 nan 8.310 nan 0.000 0.472 441 E N 1.184 121.316 120.200 -0.113 0.000 2.077 441 E HA -0.101 4.249 4.350 0.000 0.000 0.193 441 E C 2.056 178.519 176.600 -0.228 0.000 0.989 441 E CA 0.811 57.106 56.400 -0.175 0.000 0.800 441 E CB -0.311 29.228 29.700 -0.268 0.000 0.746 441 E HN 0.394 nan 8.360 nan 0.000 0.452 442 I N 1.152 121.446 120.570 -0.461 0.000 2.179 442 I HA -0.223 3.947 4.170 0.000 0.000 0.242 442 I C 2.251 178.285 176.117 -0.138 0.000 1.088 442 I CA 1.167 62.213 61.300 -0.422 0.000 1.357 442 I CB -0.891 36.593 38.000 -0.859 0.000 1.051 442 I HN 0.011 nan 8.210 nan 0.000 0.409 443 K N 0.645 120.949 120.400 -0.160 0.000 2.009 443 K HA -0.230 4.090 4.320 0.000 0.000 0.210 443 K C 2.215 178.790 176.600 -0.041 0.000 1.049 443 K CA 1.638 57.881 56.287 -0.073 0.000 0.929 443 K CB -0.286 32.179 32.500 -0.058 0.000 0.714 443 K HN 0.042 nan 8.250 nan 0.000 0.440 444 R N 0.547 121.020 120.500 -0.045 0.000 2.096 444 R HA -0.138 4.202 4.340 0.000 0.000 0.240 444 R C 1.982 178.253 176.300 -0.049 0.000 1.139 444 R CA 1.962 58.039 56.100 -0.038 0.000 0.952 444 R CB -0.714 29.564 30.300 -0.036 0.000 0.854 444 R HN 0.235 nan 8.270 nan 0.000 0.436 445 A N 0.109 122.906 122.820 -0.039 0.000 1.933 445 A HA -0.179 4.141 4.320 0.000 0.000 0.218 445 A C 2.062 179.568 177.584 -0.130 0.000 1.175 445 A CA 1.582 53.559 52.037 -0.100 0.000 0.628 445 A CB -0.461 18.486 19.000 -0.089 0.000 0.814 445 A HN 0.577 nan 8.150 nan 0.000 0.444 446 Q N -1.291 118.490 119.800 -0.032 0.000 2.297 446 Q HA 0.011 4.351 4.340 0.000 0.000 0.204 446 Q C 1.977 177.947 176.000 -0.050 0.000 0.962 446 Q CA 1.270 57.054 55.803 -0.032 0.000 0.879 446 Q CB -0.149 28.608 28.738 0.032 0.000 0.947 446 Q HN 0.724 nan 8.270 nan 0.000 0.462 447 M N -0.081 119.490 119.600 -0.047 0.000 2.394 447 M HA -0.074 4.407 4.480 0.000 0.000 0.266 447 M C 0.606 176.872 176.300 -0.056 0.000 1.098 447 M CA 0.824 56.099 55.300 -0.043 0.000 1.149 447 M CB 0.378 32.959 32.600 -0.031 0.000 1.369 447 M HN -0.009 nan 8.290 nan 0.000 0.450 448 D N 0.308 120.662 120.400 -0.076 0.000 2.349 448 D HA 0.073 4.713 4.640 0.000 0.000 0.224 448 D C 1.109 177.347 176.300 -0.104 0.000 1.029 448 D CA 0.574 54.522 54.000 -0.087 0.000 0.879 448 D CB -0.326 40.414 40.800 -0.101 0.000 0.906 448 D HN 0.435 nan 8.370 nan 0.000 0.528 449 G N 1.378 110.110 108.800 -0.112 0.000 2.422 449 G HA2 -0.309 3.651 3.960 0.000 0.000 0.301 449 G HA3 -0.309 3.651 3.960 0.000 0.000 0.301 449 G C 0.376 175.191 174.900 -0.143 0.000 0.981 449 G CA 0.269 45.297 45.100 -0.120 0.000 0.994 449 G HN 0.308 nan 8.290 nan 0.000 0.514 450 L N -1.058 120.052 121.223 -0.188 0.000 2.543 450 L HA 0.289 4.629 4.340 0.000 0.000 0.231 450 L C 2.234 178.977 176.870 -0.212 0.000 1.194 450 L CA 0.081 54.803 54.840 -0.197 0.000 0.823 450 L CB 0.214 42.135 42.059 -0.230 0.000 1.374 450 L HN 0.422 nan 8.230 nan 0.000 0.507 451 E N -1.119 118.968 120.200 -0.188 0.000 2.204 451 E HA 0.101 4.451 4.350 0.000 0.000 0.195 451 E C 0.571 177.059 176.600 -0.185 0.000 0.990 451 E CA 0.522 56.828 56.400 -0.155 0.000 0.821 451 E CB -0.467 29.163 29.700 -0.118 0.000 0.750 451 E HN 0.901 nan 8.360 nan 0.000 0.477 452 G N -1.497 107.144 108.800 -0.264 0.000 2.490 452 G HA2 0.479 4.440 3.960 0.000 0.000 0.308 452 G HA3 0.479 4.440 3.960 0.000 0.000 0.308 452 G C -1.608 173.037 174.900 -0.426 0.000 1.286 452 G CA -0.806 44.109 45.100 -0.310 0.000 0.825 452 G HN 0.196 nan 8.290 nan 0.000 0.479 453 Y N 0.602 120.858 120.300 -0.073 0.000 2.352 453 Y HA 0.438 4.988 4.550 0.000 0.000 0.326 453 Y C -1.153 174.691 175.900 -0.094 0.000 1.166 453 Y CA -1.775 56.267 58.100 -0.097 0.000 1.182 453 Y CB 2.448 40.858 38.460 -0.083 0.000 1.216 453 Y HN 0.286 nan 8.280 nan 0.000 0.474 454 P HA -0.018 nan 4.420 nan 0.000 0.245 454 P C -0.289 176.988 177.300 -0.038 0.000 1.206 454 P CA 0.679 63.831 63.100 0.087 0.000 0.781 454 P CB 0.348 32.163 31.700 0.191 0.000 0.994 455 V N -4.059 115.804 119.914 -0.084 0.000 3.046 455 V HA 0.510 4.630 4.120 0.000 0.000 0.316 455 V C -0.224 175.821 176.094 -0.082 0.000 1.104 455 V CA -1.750 60.449 62.300 -0.170 0.000 1.006 455 V CB 0.846 32.488 31.823 -0.303 0.000 1.058 455 V HN -0.177 nan 8.190 nan 0.000 0.440 456 Y N 0.907 121.365 120.300 0.263 0.000 2.426 456 Y HA 0.386 4.936 4.550 0.000 0.000 0.344 456 Y C 1.989 178.125 175.900 0.393 0.000 1.256 456 Y CA 0.713 59.015 58.100 0.336 0.000 1.451 456 Y CB 1.065 39.760 38.460 0.391 0.000 1.342 456 Y HN 0.882 nan 8.280 nan 0.000 0.600 457 T N -2.493 112.366 114.554 0.508 0.000 3.001 457 T HA 0.324 4.675 4.350 0.000 0.000 0.251 457 T C 0.389 175.286 174.700 0.330 0.000 1.040 457 T CA -0.310 62.037 62.100 0.410 0.000 0.985 457 T CB 0.138 69.122 68.868 0.195 0.000 1.011 457 T HN 0.446 nan 8.240 nan 0.000 0.509 458 R N 1.120 121.705 120.500 0.141 0.000 2.445 458 R HA 0.449 4.789 4.340 0.000 0.000 0.308 458 R C 1.057 177.203 176.300 -0.256 0.000 0.961 458 R CA -0.832 55.134 56.100 -0.223 0.000 0.862 458 R CB 1.407 31.217 30.300 -0.817 0.000 1.144 458 R HN -0.092 nan 8.270 nan 0.000 0.447 459 K N 2.314 122.562 120.400 -0.252 0.000 2.097 459 K HA -0.105 4.215 4.320 0.000 0.000 0.206 459 K C 1.529 178.033 176.600 -0.161 0.000 1.049 459 K CA 1.454 57.611 56.287 -0.216 0.000 0.933 459 K CB 0.070 32.431 32.500 -0.232 0.000 0.717 459 K HN 0.442 nan 8.250 nan 0.000 0.442 460 V N 1.163 120.937 119.914 -0.233 0.000 2.594 460 V HA -0.232 3.888 4.120 0.000 0.000 0.253 460 V C 1.811 177.882 176.094 -0.039 0.000 1.069 460 V CA 1.568 63.776 62.300 -0.153 0.000 1.082 460 V CB -0.497 31.225 31.823 -0.169 0.000 0.680 460 V HN 0.257 nan 8.190 nan 0.000 0.469 461 Y N 0.710 120.945 120.300 -0.108 0.000 2.242 461 Y HA -0.097 4.454 4.550 0.000 0.000 0.291 461 Y C 2.798 178.475 175.900 -0.373 0.000 1.137 461 Y CA 1.428 59.364 58.100 -0.273 0.000 1.181 461 Y CB -1.712 36.546 38.460 -0.336 0.000 0.989 461 Y HN 0.243 nan 8.280 nan 0.000 0.527 462 T N 0.041 114.598 114.554 0.005 0.000 2.788 462 T HA -0.165 4.185 4.350 0.000 0.000 0.268 462 T C 1.390 176.153 174.700 0.105 0.000 1.044 462 T CA 1.681 63.857 62.100 0.126 0.000 1.139 462 T CB -0.334 68.673 68.868 0.231 0.000 0.867 462 T HN 0.270 nan 8.240 nan 0.000 0.454 463 D N 0.720 121.148 120.400 0.047 0.000 2.097 463 D HA -0.062 4.579 4.640 0.000 0.000 0.195 463 D C 2.263 178.618 176.300 0.091 0.000 0.989 463 D CA 0.679 54.707 54.000 0.047 0.000 0.827 463 D CB -0.565 40.231 40.800 -0.007 0.000 0.966 463 D HN 0.198 nan 8.370 nan 0.000 0.456 464 V N 0.608 120.552 119.914 0.049 0.000 2.295 464 V HA -0.227 3.893 4.120 0.000 0.000 0.246 464 V C 2.595 178.721 176.094 0.054 0.000 1.049 464 V CA 1.879 64.205 62.300 0.044 0.000 1.024 464 V CB -0.626 31.203 31.823 0.011 0.000 0.648 464 V HN 0.205 nan 8.190 nan 0.000 0.447 465 S N -1.181 114.531 115.700 0.020 0.000 2.370 465 S HA -0.297 4.173 4.470 0.000 0.000 0.226 465 S C 1.998 176.692 174.600 0.158 0.000 1.033 465 S CA 2.116 60.367 58.200 0.085 0.000 1.011 465 S CB -0.514 62.770 63.200 0.140 0.000 0.852 465 S HN 0.661 nan 8.310 nan 0.000 0.457 466 Y N 1.581 121.924 120.300 0.072 0.000 2.165 466 Y HA -0.100 4.450 4.550 0.000 0.000 0.286 466 Y C 2.019 177.951 175.900 0.053 0.000 1.155 466 Y CA 1.969 60.117 58.100 0.078 0.000 1.164 466 Y CB -0.223 38.275 38.460 0.064 0.000 0.978 466 Y HN 0.262 nan 8.280 nan 0.000 0.513 467 L N -0.817 120.561 121.223 0.259 0.000 2.056 467 L HA -0.194 4.146 4.340 0.000 0.000 0.207 467 L C 2.784 179.687 176.870 0.054 0.000 1.078 467 L CA 1.008 55.934 54.840 0.143 0.000 0.749 467 L CB -0.981 41.151 42.059 0.122 0.000 0.901 467 L HN 0.290 nan 8.230 nan 0.000 0.433 468 A N -0.716 122.139 122.820 0.058 0.000 1.902 468 A HA -0.228 4.093 4.320 0.000 0.000 0.217 468 A C 2.392 179.990 177.584 0.025 0.000 1.181 468 A CA 1.898 53.958 52.037 0.037 0.000 0.623 468 A CB -1.153 17.874 19.000 0.045 0.000 0.818 468 A HN 0.536 nan 8.150 nan 0.000 0.443 469 C N -1.120 118.191 119.300 0.018 0.000 2.440 469 C HA 0.120 4.580 4.460 0.000 0.000 0.278 469 C C 3.301 178.285 174.990 -0.010 0.000 1.295 469 C CA 0.576 59.592 59.018 -0.004 0.000 1.738 469 C CB -1.307 26.415 27.740 -0.030 0.000 1.987 469 C HN 0.704 nan 8.230 nan 0.000 0.492 470 A N 0.723 123.523 122.820 -0.035 0.000 1.902 470 A HA -0.201 4.119 4.320 0.000 0.000 0.217 470 A C 2.186 179.781 177.584 0.018 0.000 1.181 470 A CA 1.587 53.645 52.037 0.036 0.000 0.623 470 A CB -0.448 18.424 19.000 -0.212 0.000 0.818 470 A HN 0.676 nan 8.150 nan 0.000 0.443 471 K N -0.131 120.255 120.400 -0.023 0.000 2.057 471 K HA -0.154 4.166 4.320 0.000 0.000 0.207 471 K C 2.061 178.663 176.600 0.004 0.000 1.049 471 K CA 1.669 57.944 56.287 -0.021 0.000 0.931 471 K CB -0.210 32.281 32.500 -0.016 0.000 0.714 471 K HN 0.460 nan 8.250 nan 0.000 0.440 472 K N 0.857 121.265 120.400 0.013 0.000 2.063 472 K HA -0.110 4.210 4.320 0.000 0.000 0.208 472 K C 2.165 178.775 176.600 0.017 0.000 1.048 472 K CA 1.170 57.466 56.287 0.016 0.000 0.928 472 K CB -0.157 32.355 32.500 0.020 0.000 0.713 472 K HN 0.087 nan 8.250 nan 0.000 0.442 473 L N 0.678 121.917 121.223 0.027 0.000 2.056 473 L HA -0.149 4.191 4.340 0.000 0.000 0.207 473 L C 2.261 179.146 176.870 0.025 0.000 1.078 473 L CA 0.943 55.791 54.840 0.012 0.000 0.749 473 L CB -0.373 41.678 42.059 -0.014 0.000 0.901 473 L HN 0.156 nan 8.230 nan 0.000 0.433 474 L N -0.249 121.008 121.223 0.057 0.000 2.275 474 L HA -0.120 4.221 4.340 0.000 0.000 0.215 474 L C 2.666 179.548 176.870 0.021 0.000 1.119 474 L CA 0.645 55.506 54.840 0.035 0.000 0.790 474 L CB -0.527 41.528 42.059 -0.007 0.000 0.919 474 L HN 0.222 nan 8.230 nan 0.000 0.443 475 A N -0.218 122.611 122.820 0.015 0.000 2.119 475 A HA -0.005 4.315 4.320 0.000 0.000 0.217 475 A C 1.251 178.846 177.584 0.018 0.000 1.153 475 A CA 1.170 53.215 52.037 0.014 0.000 0.692 475 A CB -0.300 18.706 19.000 0.009 0.000 0.799 475 A HN 0.262 nan 8.150 nan 0.000 0.458 476 V N -3.986 115.939 119.914 0.019 0.000 2.454 476 V HA 0.317 4.437 4.120 0.000 0.000 0.255 476 V C -2.204 173.908 176.094 0.030 0.000 1.009 476 V CA -1.219 61.091 62.300 0.017 0.000 1.149 476 V CB 0.719 32.543 31.823 0.002 0.000 1.418 476 V HN 0.124 nan 8.190 nan 0.000 0.567 477 P HA -0.100 nan 4.420 nan 0.000 0.222 477 P C 1.298 178.644 177.300 0.076 0.000 1.147 477 P CA 1.401 64.556 63.100 0.090 0.000 0.790 477 P CB 0.079 31.869 31.700 0.150 0.000 0.780 478 N N 0.097 118.821 118.700 0.040 0.000 2.409 478 N HA -0.066 4.675 4.740 0.000 0.000 0.179 478 N C 1.510 177.025 175.510 0.009 0.000 1.032 478 N CA 0.905 53.966 53.050 0.019 0.000 0.898 478 N CB -0.956 37.531 38.487 0.000 0.000 0.971 478 N HN 0.264 nan 8.380 nan 0.000 0.441 479 L N -0.631 120.596 121.223 0.006 0.000 2.537 479 L HA 0.351 4.691 4.340 0.000 0.000 0.224 479 L C 0.077 176.941 176.870 -0.010 0.000 1.065 479 L CA 0.223 55.053 54.840 -0.016 0.000 0.860 479 L CB 0.354 42.394 42.059 -0.031 0.000 1.086 479 L HN -0.027 nan 8.230 nan 0.000 0.482 480 I N -0.775 119.806 120.570 0.018 0.000 2.582 480 I HA 0.206 4.377 4.170 0.000 0.000 0.292 480 I C -1.233 174.942 176.117 0.097 0.000 1.066 480 I CA -0.631 60.684 61.300 0.024 0.000 1.053 480 I CB 1.873 39.860 38.000 -0.021 0.000 1.241 480 I HN -0.101 nan 8.210 nan 0.000 0.421 481 Y N 8.487 128.771 120.300 -0.028 0.000 2.504 481 Y HA 0.534 5.084 4.550 0.000 0.000 0.339 481 Y C -2.500 173.344 175.900 -0.094 0.000 0.974 481 Y CA -2.828 55.269 58.100 -0.005 0.000 1.232 481 Y CB 1.050 39.573 38.460 0.105 0.000 1.108 481 Y HN 0.304 nan 8.280 nan 0.000 0.509 482 P HA 0.238 nan 4.420 nan 0.000 0.280 482 P C -1.533 175.174 177.300 -0.989 0.000 1.244 482 P CA -0.252 62.403 63.100 -0.742 0.000 0.784 482 P CB 0.995 32.204 31.700 -0.818 0.000 0.913 483 Q N 2.128 121.409 119.800 -0.866 0.000 2.347 483 Q HA 0.412 4.752 4.340 0.000 0.000 0.265 483 Q C -1.127 174.602 176.000 -0.452 0.000 1.024 483 Q CA -0.247 55.221 55.803 -0.558 0.000 0.731 483 Q CB 1.069 29.630 28.738 -0.294 0.000 1.245 483 Q HN 0.402 nan 8.270 nan 0.000 0.472 484 F N 1.694 121.630 119.950 -0.022 0.000 2.335 484 F HA 0.439 4.967 4.527 0.000 0.000 0.365 484 F C 0.583 176.539 175.800 0.260 0.000 1.122 484 F CA -0.795 57.289 58.000 0.140 0.000 1.151 484 F CB 0.915 40.004 39.000 0.148 0.000 1.282 484 F HN 0.491 nan 8.300 nan 0.000 0.513 485 A N 3.243 126.264 122.820 0.334 0.000 2.309 485 A HA 0.629 4.949 4.320 0.000 0.000 0.290 485 A C 0.147 177.806 177.584 0.126 0.000 1.206 485 A CA -0.056 52.086 52.037 0.175 0.000 0.850 485 A CB 0.628 19.670 19.000 0.071 0.000 1.118 485 A HN 0.637 nan 8.150 nan 0.000 0.523 486 T N 1.198 115.753 114.554 0.000 0.000 2.977 486 T HA 0.404 4.754 4.350 0.000 0.000 0.345 486 T C -0.418 174.164 174.700 -0.196 0.000 1.562 486 T CA -0.480 61.501 62.100 -0.198 0.000 1.090 486 T CB 0.612 69.353 68.868 -0.212 0.000 1.383 486 T HN 0.711 nan 8.240 nan 0.000 0.484 487 H N 1.578 120.628 119.070 -0.034 0.000 2.672 487 H HA 0.371 4.927 4.556 0.000 0.000 0.277 487 H C 0.531 175.644 175.328 -0.358 0.000 1.074 487 H CA -0.527 55.487 56.048 -0.056 0.000 1.173 487 H CB 0.471 30.264 29.762 0.052 0.000 1.558 487 H HN 0.251 nan 8.280 nan 0.000 0.539 488 N N 1.283 119.688 118.700 -0.492 0.000 2.426 488 N HA 0.131 4.871 4.740 0.000 0.000 0.257 488 N C 0.915 175.823 175.510 -1.004 0.000 1.002 488 N CA 0.070 52.450 53.050 -1.117 0.000 0.942 488 N CB 1.422 39.548 38.487 -0.602 0.000 1.112 488 N HN 0.270 nan 8.380 nan 0.000 0.499 489 A N 3.879 125.883 122.820 -1.360 0.000 1.933 489 A HA -0.197 4.123 4.320 0.000 0.000 0.218 489 A C 1.979 179.335 177.584 -0.379 0.000 1.175 489 A CA 1.241 52.910 52.037 -0.613 0.000 0.628 489 A CB -0.847 17.991 19.000 -0.270 0.000 0.814 489 A HN 0.914 nan 8.150 nan 0.000 0.444 490 H N 0.022 118.880 119.070 -0.353 0.000 2.326 490 H HA -0.092 4.464 4.556 0.000 0.000 0.301 490 H C 1.985 177.202 175.328 -0.186 0.000 1.081 490 H CA 2.034 57.976 56.048 -0.177 0.000 1.334 490 H CB -0.250 29.468 29.762 -0.073 0.000 1.385 490 H HN 0.426 nan 8.280 nan 0.000 0.504 491 T N 2.166 116.584 114.554 -0.226 0.000 2.684 491 T HA -0.161 4.190 4.350 0.000 0.000 0.267 491 T C 2.297 176.862 174.700 -0.226 0.000 1.036 491 T CA 1.274 63.230 62.100 -0.240 0.000 1.148 491 T CB -0.531 68.117 68.868 -0.367 0.000 0.863 491 T HN 0.267 nan 8.240 nan 0.000 0.436 492 L N 0.646 121.706 121.223 -0.272 0.000 1.989 492 L HA -0.126 4.214 4.340 0.000 0.000 0.211 492 L C 2.772 179.558 176.870 -0.140 0.000 1.071 492 L CA 1.725 56.419 54.840 -0.242 0.000 0.749 492 L CB -0.575 41.150 42.059 -0.556 0.000 0.890 492 L HN 0.295 nan 8.230 nan 0.000 0.431 493 A N -0.432 122.236 122.820 -0.252 0.000 1.933 493 A HA -0.145 4.175 4.320 0.000 0.000 0.218 493 A C 2.403 179.918 177.584 -0.115 0.000 1.175 493 A CA 1.606 53.537 52.037 -0.176 0.000 0.628 493 A CB -0.886 17.974 19.000 -0.232 0.000 0.814 493 A HN 0.602 nan 8.150 nan 0.000 0.444 494 A N -0.251 122.395 122.820 -0.290 0.000 1.877 494 A HA -0.053 4.267 4.320 0.000 0.000 0.216 494 A C 1.962 179.460 177.584 -0.144 0.000 1.186 494 A CA 1.728 53.621 52.037 -0.241 0.000 0.620 494 A CB -0.539 18.270 19.000 -0.319 0.000 0.822 494 A HN 0.383 nan 8.150 nan 0.000 0.443 495 I N -1.670 118.809 120.570 -0.153 0.000 2.226 495 I HA -0.203 3.967 4.170 0.000 0.000 0.245 495 I C 2.278 178.267 176.117 -0.214 0.000 1.100 495 I CA 1.175 62.277 61.300 -0.330 0.000 1.374 495 I CB -0.921 36.775 38.000 -0.507 0.000 1.057 495 I HN 0.545 nan 8.210 nan 0.000 0.413 496 Y N 1.330 121.617 120.300 -0.022 0.000 2.151 496 Y HA -0.321 4.229 4.550 0.000 0.000 0.284 496 Y C 2.470 178.364 175.900 -0.012 0.000 1.166 496 Y CA 1.817 59.970 58.100 0.089 0.000 1.163 496 Y CB -0.061 38.491 38.460 0.154 0.000 0.974 496 Y HN 0.230 nan 8.280 nan 0.000 0.511 497 Q N -0.040 119.779 119.800 0.032 0.000 2.137 497 Q HA -0.076 4.265 4.340 0.000 0.000 0.198 497 Q C 2.435 178.369 176.000 -0.110 0.000 0.960 497 Q CA 1.269 57.042 55.803 -0.049 0.000 0.847 497 Q CB -0.406 28.348 28.738 0.028 0.000 0.915 497 Q HN 0.550 nan 8.270 nan 0.000 0.448 498 L N 0.521 121.662 121.223 -0.137 0.000 2.191 498 L HA -0.100 4.241 4.340 0.000 0.000 0.212 498 L C 2.236 179.002 176.870 -0.172 0.000 1.103 498 L CA 0.846 55.597 54.840 -0.149 0.000 0.769 498 L CB -0.475 41.473 42.059 -0.184 0.000 0.908 498 L HN 0.108 nan 8.230 nan 0.000 0.438 499 A N -0.274 122.401 122.820 -0.242 0.000 2.119 499 A HA 0.304 4.625 4.320 0.000 0.000 0.217 499 A C 1.330 178.866 177.584 -0.079 0.000 1.153 499 A CA 0.880 52.794 52.037 -0.204 0.000 0.692 499 A CB -0.499 18.312 19.000 -0.316 0.000 0.799 499 A HN 0.487 nan 8.150 nan 0.000 0.458 500 G N -1.630 107.110 108.800 -0.099 0.000 2.728 500 G HA2 -0.232 3.728 3.960 0.000 0.000 0.294 500 G HA3 -0.232 3.728 3.960 0.000 0.000 0.294 500 G C 0.229 175.103 174.900 -0.044 0.000 1.342 500 G CA 0.126 45.193 45.100 -0.055 0.000 0.866 500 G HN 0.353 nan 8.290 nan 0.000 0.534 501 Q N -0.029 119.764 119.800 -0.012 0.000 2.016 501 Q HA -0.042 4.298 4.340 0.000 0.000 0.200 501 Q C 1.205 177.228 176.000 0.039 0.000 0.978 501 Q CA 1.699 57.501 55.803 -0.001 0.000 0.833 501 Q CB -0.024 28.721 28.738 0.012 0.000 0.895 501 Q HN 0.572 nan 8.270 nan 0.000 0.427 502 N N 0.796 119.538 118.700 0.070 0.000 3.188 502 N HA 0.089 4.829 4.740 0.000 0.000 0.279 502 N C -1.282 174.325 175.510 0.162 0.000 1.213 502 N CA -0.269 52.846 53.050 0.109 0.000 1.138 502 N CB 0.115 38.657 38.487 0.092 0.000 1.417 502 N HN 0.193 nan 8.380 nan 0.000 0.526 503 Y N 2.635 122.946 120.300 0.018 0.000 2.597 503 Y HA 0.108 4.658 4.550 0.000 0.000 0.336 503 Y C -0.464 175.451 175.900 0.025 0.000 1.216 503 Y CA -0.357 57.711 58.100 -0.054 0.000 1.463 503 Y CB 0.227 38.631 38.460 -0.093 0.000 1.303 503 Y HN 0.366 nan 8.280 nan 0.000 0.576 504 Y N 4.192 123.891 120.300 -1.001 0.000 2.524 504 Y HA 0.505 5.055 4.550 0.000 0.000 0.347 504 Y C -2.519 172.668 175.900 -1.188 0.000 1.005 504 Y CA -3.247 54.367 58.100 -0.810 0.000 1.025 504 Y CB 1.148 39.377 38.460 -0.386 0.000 1.275 504 Y HN 0.325 nan 8.280 nan 0.000 0.460 505 P HA -0.137 nan 4.420 nan 0.000 0.217 505 P C 1.444 178.544 177.300 -0.333 0.000 1.151 505 P CA 2.741 65.631 63.100 -0.351 0.000 0.849 505 P CB 0.028 31.673 31.700 -0.090 0.000 0.787 506 G N -0.807 107.809 108.800 -0.306 0.000 2.956 506 G HA2 -0.168 3.793 3.960 0.000 0.000 0.207 506 G HA3 -0.168 3.793 3.960 0.000 0.000 0.207 506 G C 1.437 176.243 174.900 -0.156 0.000 1.162 506 G CA -0.047 44.840 45.100 -0.354 0.000 0.796 506 G HN 0.308 nan 8.290 nan 0.000 0.527 507 Q N -0.438 118.975 119.800 -0.645 0.000 2.049 507 Q HA 0.083 4.423 4.340 0.000 0.000 0.198 507 Q C 0.449 176.439 176.000 -0.017 0.000 0.971 507 Q CA 0.824 56.249 55.803 -0.630 0.000 0.833 507 Q CB 0.042 28.095 28.738 -1.141 0.000 0.896 507 Q HN 0.617 nan 8.270 nan 0.000 0.434 508 Y N -2.096 118.120 120.300 -0.140 0.000 2.779 508 Y HA 0.409 4.959 4.550 0.000 0.000 0.340 508 Y C -1.914 173.857 175.900 -0.215 0.000 1.252 508 Y CA -1.252 56.632 58.100 -0.360 0.000 1.072 508 Y CB 0.580 38.911 38.460 -0.214 0.000 1.343 508 Y HN 0.101 nan 8.280 nan 0.000 0.450 509 E N 1.127 121.149 120.200 -0.297 0.000 2.416 509 E HA 0.587 4.937 4.350 0.000 0.000 0.273 509 E C -1.921 174.626 176.600 -0.088 0.000 0.935 509 E CA -0.963 55.316 56.400 -0.201 0.000 0.784 509 E CB 2.679 32.364 29.700 -0.025 0.000 1.301 509 E HN 0.484 nan 8.360 nan 0.000 0.454 510 F N 0.373 120.404 119.950 0.135 0.000 2.380 510 F HA 0.380 4.908 4.527 0.000 0.000 0.321 510 F C 0.702 176.444 175.800 -0.096 0.000 1.103 510 F CA -0.315 57.761 58.000 0.127 0.000 1.067 510 F CB 1.511 40.614 39.000 0.171 0.000 1.265 510 F HN 0.312 nan 8.300 nan 0.000 0.517 511 Q N 0.631 120.492 119.800 0.101 0.000 2.456 511 Q HA 0.641 4.981 4.340 0.000 0.000 0.284 511 Q C -1.459 174.475 176.000 -0.110 0.000 1.061 511 Q CA -0.979 54.790 55.803 -0.057 0.000 0.799 511 Q CB 2.837 31.576 28.738 0.001 0.000 1.445 511 Q HN 0.878 nan 8.270 nan 0.000 0.411 512 C N -1.170 118.091 119.300 -0.064 0.000 3.318 512 C HA 0.725 5.185 4.460 0.000 0.000 0.322 512 C C -1.191 173.953 174.990 0.256 0.000 1.398 512 C CA -1.022 58.088 59.018 0.153 0.000 1.339 512 C CB 0.329 28.222 27.740 0.254 0.000 1.668 512 C HN 0.854 nan 8.230 nan 0.000 0.462 513 L N 1.852 123.391 121.223 0.526 0.000 2.312 513 L HA 0.377 4.717 4.340 0.000 0.000 0.281 513 L C 0.461 177.494 176.870 0.271 0.000 1.070 513 L CA -0.224 54.827 54.840 0.351 0.000 0.805 513 L CB 0.603 42.875 42.059 0.356 0.000 1.174 513 L HN 0.900 nan 8.230 nan 0.000 0.434 514 H N 2.323 121.506 119.070 0.187 0.000 3.094 514 H HA 0.158 4.715 4.556 0.000 0.000 0.320 514 H C 1.054 176.508 175.328 0.210 0.000 1.000 514 H CA 1.093 57.236 56.048 0.158 0.000 1.413 514 H CB 0.605 30.465 29.762 0.164 0.000 1.405 514 H HN 0.761 nan 8.280 nan 0.000 0.586 515 G N 3.327 111.795 108.800 -0.553 0.000 2.195 515 G HA2 -0.288 3.672 3.960 0.000 0.000 0.246 515 G HA3 -0.288 3.672 3.960 0.000 0.000 0.246 515 G C 0.814 175.627 174.900 -0.145 0.000 0.984 515 G CA 0.607 45.434 45.100 -0.455 0.000 0.633 515 G HN 0.605 nan 8.290 nan 0.000 0.525 516 M N -1.053 118.483 119.600 -0.108 0.000 2.363 516 M HA 0.293 4.773 4.480 0.000 0.000 0.243 516 M C 2.286 178.409 176.300 -0.295 0.000 1.364 516 M CA 1.244 56.395 55.300 -0.249 0.000 1.104 516 M CB 0.687 32.983 32.600 -0.508 0.000 1.570 516 M HN 0.218 nan 8.290 nan 0.000 0.564 517 G N -0.154 108.572 108.800 -0.124 0.000 2.921 517 G HA2 0.021 3.981 3.960 0.000 0.000 0.213 517 G HA3 0.021 3.981 3.960 0.000 0.000 0.213 517 G C 1.002 176.065 174.900 0.272 0.000 1.143 517 G CA 0.088 45.313 45.100 0.208 0.000 0.764 517 G HN 0.274 nan 8.290 nan 0.000 0.542 518 E N 1.221 121.486 120.200 0.108 0.000 2.085 518 E HA -0.084 4.267 4.350 0.000 0.000 0.194 518 E C -0.121 176.540 176.600 0.101 0.000 0.994 518 E CA 1.567 58.008 56.400 0.068 0.000 0.801 518 E CB -0.626 29.035 29.700 -0.064 0.000 0.743 518 E HN 0.333 nan 8.360 nan 0.000 0.453 519 P HA -0.168 nan 4.420 nan 0.000 0.215 519 P C 1.453 178.760 177.300 0.013 0.000 1.157 519 P CA 0.805 63.917 63.100 0.021 0.000 0.868 519 P CB 0.031 31.724 31.700 -0.011 0.000 0.788 520 L N -1.501 119.712 121.223 -0.017 0.000 2.017 520 L HA -0.158 4.183 4.340 0.000 0.000 0.208 520 L C 2.119 178.846 176.870 -0.239 0.000 1.073 520 L CA 1.909 56.644 54.840 -0.175 0.000 0.745 520 L CB -1.540 40.337 42.059 -0.303 0.000 0.894 520 L HN -0.040 nan 8.230 nan 0.000 0.432 521 Y N 0.007 120.343 120.300 0.060 0.000 2.561 521 Y HA 0.034 4.584 4.550 0.000 0.000 0.291 521 Y C 2.577 178.591 175.900 0.190 0.000 1.141 521 Y CA 0.922 59.081 58.100 0.099 0.000 1.303 521 Y CB -0.612 37.994 38.460 0.244 0.000 1.015 521 Y HN 0.400 nan 8.280 nan 0.000 0.547 522 E N 0.596 120.984 120.200 0.313 0.000 2.338 522 E HA -0.185 4.165 4.350 0.000 0.000 0.197 522 E C 1.570 178.226 176.600 0.094 0.000 1.007 522 E CA 1.255 57.807 56.400 0.253 0.000 0.849 522 E CB -0.589 29.208 29.700 0.162 0.000 0.774 522 E HN 0.673 nan 8.360 nan 0.000 0.506 523 Q N -0.841 118.963 119.800 0.006 0.000 2.425 523 Q HA 0.146 4.486 4.340 0.000 0.000 0.204 523 Q C 1.810 177.751 176.000 -0.099 0.000 0.933 523 Q CA 0.757 56.522 55.803 -0.064 0.000 0.939 523 Q CB 0.808 29.473 28.738 -0.122 0.000 1.044 523 Q HN 0.491 nan 8.270 nan 0.000 0.513 524 V N -0.735 119.131 119.914 -0.080 0.000 2.854 524 V HA 0.034 4.154 4.120 0.000 0.000 0.236 524 V C 0.817 176.866 176.094 -0.074 0.000 1.157 524 V CA 0.708 62.944 62.300 -0.106 0.000 1.187 524 V CB 1.039 32.784 31.823 -0.131 0.000 0.949 524 V HN 0.076 nan 8.190 nan 0.000 0.488 525 T N 1.398 115.877 114.554 -0.125 0.000 2.832 525 T HA 0.604 4.954 4.350 0.000 0.000 0.296 525 T C 0.205 174.800 174.700 -0.175 0.000 0.968 525 T CA 0.770 62.700 62.100 -0.284 0.000 1.107 525 T CB 0.782 69.130 68.868 -0.867 0.000 0.916 525 T HN 0.867 nan 8.240 nan 0.000 0.517 526 G N 2.518 111.250 108.800 -0.113 0.000 2.347 526 G HA2 0.040 4.001 3.960 0.000 0.000 0.341 526 G HA3 0.040 4.001 3.960 0.000 0.000 0.341 526 G C -1.454 173.435 174.900 -0.019 0.000 1.287 526 G CA -1.175 43.902 45.100 -0.039 0.000 0.984 526 G HN 0.651 nan 8.290 nan 0.000 0.526 527 K N -0.095 120.306 120.400 0.003 0.000 2.270 527 K HA 0.428 4.748 4.320 0.000 0.000 0.276 527 K C 1.489 178.093 176.600 0.006 0.000 1.023 527 K CA -0.347 55.946 56.287 0.009 0.000 0.955 527 K CB 1.995 34.506 32.500 0.018 0.000 0.975 527 K HN 0.284 nan 8.250 nan 0.000 0.471 528 V N 2.348 122.269 119.914 0.012 0.000 2.469 528 V HA -0.276 3.844 4.120 0.000 0.000 0.251 528 V C 2.082 178.183 176.094 0.011 0.000 1.064 528 V CA 2.376 64.683 62.300 0.012 0.000 1.066 528 V CB -0.652 31.186 31.823 0.026 0.000 0.667 528 V HN 0.964 nan 8.190 nan 0.000 0.461 529 A N -0.451 122.378 122.820 0.015 0.000 2.067 529 A HA -0.182 4.138 4.320 0.000 0.000 0.219 529 A C 1.683 179.274 177.584 0.011 0.000 1.158 529 A CA 1.684 53.730 52.037 0.014 0.000 0.661 529 A CB -0.363 18.647 19.000 0.017 0.000 0.801 529 A HN 0.540 nan 8.150 nan 0.000 0.452 530 D N -1.142 119.265 120.400 0.010 0.000 2.325 530 D HA 0.307 4.948 4.640 0.000 0.000 0.225 530 D C 1.207 177.508 176.300 0.003 0.000 1.096 530 D CA 0.919 54.925 54.000 0.010 0.000 0.844 530 D CB 0.020 40.830 40.800 0.016 0.000 0.925 530 D HN 0.524 nan 8.370 nan 0.000 0.513 531 G N 0.984 109.782 108.800 -0.003 0.000 2.147 531 G HA2 -0.262 3.698 3.960 0.000 0.000 0.244 531 G HA3 -0.262 3.698 3.960 0.000 0.000 0.244 531 G C 0.425 175.308 174.900 -0.029 0.000 1.005 531 G CA 0.060 45.152 45.100 -0.014 0.000 0.713 531 G HN 0.131 nan 8.290 nan 0.000 0.515 532 K N -0.640 119.745 120.400 -0.026 0.000 2.267 532 K HA 0.690 5.010 4.320 0.000 0.000 0.236 532 K C 1.478 178.045 176.600 -0.055 0.000 1.030 532 K CA -1.023 55.236 56.287 -0.046 0.000 0.930 532 K CB 0.470 32.950 32.500 -0.033 0.000 1.182 532 K HN 0.068 nan 8.250 nan 0.000 0.474 533 L N 0.498 121.673 121.223 -0.079 0.000 2.567 533 L HA 0.111 4.452 4.340 0.000 0.000 0.225 533 L C 0.562 177.426 176.870 -0.010 0.000 1.119 533 L CA 0.142 54.945 54.840 -0.062 0.000 0.871 533 L CB -0.373 41.589 42.059 -0.162 0.000 1.036 533 L HN 0.777 nan 8.230 nan 0.000 0.459 534 N N 1.778 120.454 118.700 -0.041 0.000 2.725 534 N HA -0.175 4.565 4.740 0.000 0.000 0.251 534 N C -0.667 174.747 175.510 -0.160 0.000 1.031 534 N CA 0.035 53.049 53.050 -0.060 0.000 0.720 534 N CB -0.064 38.413 38.487 -0.016 0.000 0.930 534 N HN 0.224 nan 8.380 nan 0.000 0.543 535 R N 0.647 121.067 120.500 -0.134 0.000 2.534 535 R HA 0.482 4.822 4.340 0.000 0.000 0.301 535 R C -2.507 173.749 176.300 -0.073 0.000 0.961 535 R CA -1.621 54.357 56.100 -0.203 0.000 0.871 535 R CB 1.524 31.839 30.300 0.025 0.000 1.170 535 R HN 0.136 nan 8.270 nan 0.000 0.446 536 P HA 0.135 nan 4.420 nan 0.000 0.275 536 P C -0.328 176.944 177.300 -0.046 0.000 1.227 536 P CA -0.404 62.641 63.100 -0.091 0.000 0.781 536 P CB 0.852 32.540 31.700 -0.020 0.000 0.906 537 C N 4.452 123.646 119.300 -0.177 0.000 2.441 537 C HA 0.533 4.993 4.460 0.000 0.000 0.318 537 C C 0.005 174.946 174.990 -0.081 0.000 1.222 537 C CA -0.690 58.231 59.018 -0.162 0.000 1.474 537 C CB 0.471 27.986 27.740 -0.374 0.000 2.125 537 C HN 0.647 nan 8.230 nan 0.000 0.479 538 R N 5.409 125.867 120.500 -0.069 0.000 2.255 538 R HA 0.611 4.951 4.340 0.000 0.000 0.326 538 R C -0.818 175.412 176.300 -0.116 0.000 0.986 538 R CA -0.432 55.624 56.100 -0.073 0.000 0.847 538 R CB 0.545 30.833 30.300 -0.021 0.000 1.111 538 R HN 0.814 nan 8.270 nan 0.000 0.452 539 I N 2.786 123.213 120.570 -0.239 0.000 2.371 539 I HA 0.048 4.218 4.170 0.000 0.000 0.290 539 I C 0.543 176.600 176.117 -0.101 0.000 1.028 539 I CA -0.036 61.141 61.300 -0.204 0.000 1.345 539 I CB 1.690 39.434 38.000 -0.427 0.000 1.407 539 I HN 0.506 nan 8.210 nan 0.000 0.501 540 S N 5.641 121.355 115.700 0.023 0.000 2.474 540 S HA 0.565 5.035 4.470 0.000 0.000 0.276 540 S C -0.060 174.610 174.600 0.115 0.000 1.227 540 S CA -0.648 57.587 58.200 0.059 0.000 1.050 540 S CB 0.281 63.547 63.200 0.111 0.000 0.939 540 S HN 0.674 nan 8.310 nan 0.000 0.490 541 A N 7.395 130.242 122.820 0.046 0.000 2.293 541 A HA 0.653 4.973 4.320 0.000 0.000 0.312 541 A C -2.836 174.783 177.584 0.059 0.000 1.309 541 A CA -1.838 50.240 52.037 0.068 0.000 0.839 541 A CB 0.645 19.649 19.000 0.008 0.000 1.155 541 A HN 0.604 nan 8.150 nan 0.000 0.501 542 P HA 0.284 nan 4.420 nan 0.000 0.271 542 P C -0.646 176.635 177.300 -0.031 0.000 1.216 542 P CA 0.094 63.118 63.100 -0.127 0.000 0.771 542 P CB 1.146 32.633 31.700 -0.354 0.000 0.864 543 V N 3.506 123.405 119.914 -0.025 0.000 2.483 543 V HA 0.891 5.011 4.120 0.000 0.000 0.297 543 V C 0.452 176.526 176.094 -0.034 0.000 1.027 543 V CA -0.092 62.204 62.300 -0.007 0.000 0.855 543 V CB 1.291 33.125 31.823 0.019 0.000 0.995 543 V HN 0.900 nan 8.190 nan 0.000 0.424 544 G N 2.730 111.514 108.800 -0.027 0.000 2.321 544 G HA2 0.485 4.445 3.960 0.000 0.000 0.298 544 G HA3 0.485 4.445 3.960 0.000 0.000 0.298 544 G C -0.605 174.287 174.900 -0.013 0.000 1.385 544 G CA -0.003 45.081 45.100 -0.027 0.000 0.856 544 G HN 0.878 nan 8.290 nan 0.000 0.584 545 T N -2.780 111.752 114.554 -0.035 0.000 2.849 545 T HA 0.490 4.840 4.350 0.000 0.000 0.276 545 T C 1.658 176.330 174.700 -0.047 0.000 0.971 545 T CA 0.771 62.846 62.100 -0.041 0.000 0.949 545 T CB 0.979 69.770 68.868 -0.128 0.000 1.093 545 T HN 1.339 nan 8.240 nan 0.000 0.545 546 H N -0.821 118.269 119.070 0.034 0.000 2.457 546 H HA 0.022 4.578 4.556 0.000 0.000 0.297 546 H C 1.547 176.905 175.328 0.050 0.000 1.092 546 H CA 1.710 57.785 56.048 0.045 0.000 1.309 546 H CB -0.573 29.213 29.762 0.039 0.000 1.382 546 H HN 0.761 nan 8.280 nan 0.000 0.535 547 E N 0.358 120.304 120.200 -0.423 0.000 2.418 547 E HA -0.066 4.284 4.350 0.000 0.000 0.197 547 E C 1.111 177.689 176.600 -0.036 0.000 1.026 547 E CA 1.289 57.564 56.400 -0.208 0.000 0.862 547 E CB 0.197 29.726 29.700 -0.285 0.000 0.799 547 E HN 0.817 nan 8.360 nan 0.000 0.518 548 T N -2.266 112.281 114.554 -0.011 0.000 3.091 548 T HA 0.133 4.483 4.350 0.000 0.000 0.277 548 T C 1.281 176.021 174.700 0.068 0.000 0.996 548 T CA -0.369 61.761 62.100 0.050 0.000 0.897 548 T CB 0.196 69.093 68.868 0.048 0.000 1.109 548 T HN -0.013 nan 8.240 nan 0.000 0.534 549 L N 0.738 122.012 121.223 0.085 0.000 2.307 549 L HA 0.450 4.790 4.340 0.000 0.000 0.211 549 L C 1.875 178.840 176.870 0.158 0.000 1.099 549 L CA 0.767 55.682 54.840 0.125 0.000 0.816 549 L CB -0.741 41.403 42.059 0.142 0.000 0.952 549 L HN 0.297 nan 8.230 nan 0.000 0.455 550 L N 0.513 121.816 121.223 0.132 0.000 1.971 550 L HA -0.204 4.136 4.340 0.000 0.000 0.215 550 L C 2.520 179.460 176.870 0.117 0.000 1.072 550 L CA 2.475 57.387 54.840 0.121 0.000 0.758 550 L CB -1.226 40.895 42.059 0.104 0.000 0.889 550 L HN 0.268 nan 8.230 nan 0.000 0.433 551 A N -1.799 121.095 122.820 0.123 0.000 1.902 551 A HA -0.290 4.030 4.320 0.000 0.000 0.217 551 A C 2.329 179.967 177.584 0.090 0.000 1.181 551 A CA 1.878 53.980 52.037 0.109 0.000 0.623 551 A CB -1.292 17.786 19.000 0.130 0.000 0.818 551 A HN 0.680 nan 8.150 nan 0.000 0.443 552 Y N 0.068 120.372 120.300 0.007 0.000 2.145 552 Y HA -0.184 4.366 4.550 0.000 0.000 0.286 552 Y C 2.162 178.018 175.900 -0.073 0.000 1.145 552 Y CA 1.823 59.904 58.100 -0.032 0.000 1.148 552 Y CB -0.090 38.371 38.460 0.001 0.000 0.981 552 Y HN 0.264 nan 8.280 nan 0.000 0.507 553 L N -0.433 120.876 121.223 0.145 0.000 2.046 553 L HA -0.172 4.169 4.340 0.000 0.000 0.208 553 L C 2.182 179.017 176.870 -0.058 0.000 1.077 553 L CA 1.812 56.688 54.840 0.061 0.000 0.747 553 L CB -1.093 41.066 42.059 0.166 0.000 0.896 553 L HN 0.262 nan 8.230 nan 0.000 0.432 554 V N 0.727 120.628 119.914 -0.022 0.000 2.287 554 V HA -0.291 3.829 4.120 0.000 0.000 0.248 554 V C 2.815 178.844 176.094 -0.109 0.000 1.053 554 V CA 1.956 64.235 62.300 -0.034 0.000 1.027 554 V CB -0.653 31.174 31.823 0.008 0.000 0.646 554 V HN 0.481 nan 8.190 nan 0.000 0.447 555 R N -0.417 119.970 120.500 -0.189 0.000 2.105 555 R HA -0.121 4.220 4.340 0.000 0.000 0.239 555 R C 2.527 178.631 176.300 -0.328 0.000 1.135 555 R CA 1.133 57.069 56.100 -0.273 0.000 0.967 555 R CB -0.331 29.723 30.300 -0.409 0.000 0.861 555 R HN 0.417 nan 8.270 nan 0.000 0.442 556 R N 0.792 121.012 120.500 -0.467 0.000 2.092 556 R HA -0.052 4.288 4.340 0.000 0.000 0.231 556 R C 2.333 178.444 176.300 -0.315 0.000 1.119 556 R CA 0.988 56.740 56.100 -0.579 0.000 0.970 556 R CB -0.655 28.956 30.300 -1.149 0.000 0.864 556 R HN 0.301 nan 8.270 nan 0.000 0.440 557 L N 0.533 121.650 121.223 -0.177 0.000 2.046 557 L HA -0.158 4.182 4.340 0.000 0.000 0.208 557 L C 2.498 179.344 176.870 -0.040 0.000 1.077 557 L CA 1.192 56.004 54.840 -0.047 0.000 0.747 557 L CB -0.545 41.514 42.059 -0.001 0.000 0.896 557 L HN 0.117 nan 8.230 nan 0.000 0.432 558 L N -0.455 120.736 121.223 -0.054 0.000 2.056 558 L HA -0.210 4.131 4.340 0.000 0.000 0.207 558 L C 2.637 179.492 176.870 -0.025 0.000 1.078 558 L CA 1.237 56.067 54.840 -0.016 0.000 0.749 558 L CB -0.445 41.618 42.059 0.006 0.000 0.901 558 L HN 0.319 nan 8.230 nan 0.000 0.433 559 E N 0.585 120.745 120.200 -0.068 0.000 2.051 559 E HA -0.232 4.118 4.350 0.000 0.000 0.192 559 E C 1.825 178.407 176.600 -0.031 0.000 0.991 559 E CA 1.702 58.067 56.400 -0.058 0.000 0.799 559 E CB 0.080 29.718 29.700 -0.103 0.000 0.748 559 E HN 0.480 nan 8.360 nan 0.000 0.449 560 N N -0.872 117.808 118.700 -0.033 0.000 2.270 560 N HA -0.046 4.694 4.740 0.000 0.000 0.181 560 N C 1.507 177.019 175.510 0.004 0.000 1.016 560 N CA 1.031 54.086 53.050 0.007 0.000 0.870 560 N CB 0.027 38.549 38.487 0.058 0.000 0.979 560 N HN 0.182 nan 8.380 nan 0.000 0.431 561 G N -0.610 108.190 108.800 -0.000 0.000 2.777 561 G HA2 0.249 4.210 3.960 0.000 0.000 0.211 561 G HA3 0.249 4.210 3.960 0.000 0.000 0.211 561 G C 0.205 175.100 174.900 -0.009 0.000 1.149 561 G CA -0.012 45.088 45.100 0.000 0.000 0.785 561 G HN 0.353 nan 8.290 nan 0.000 0.536 562 A N 1.560 124.370 122.820 -0.016 0.000 2.450 562 A HA 0.293 4.613 4.320 0.000 0.000 0.255 562 A C 1.647 179.206 177.584 -0.042 0.000 1.096 562 A CA 0.043 52.063 52.037 -0.029 0.000 0.778 562 A CB 0.266 19.237 19.000 -0.048 0.000 1.031 562 A HN 0.388 nan 8.150 nan 0.000 0.494 563 N N 2.414 121.089 118.700 -0.041 0.000 2.348 563 N HA -0.200 4.540 4.740 0.000 0.000 0.185 563 N C 1.040 176.512 175.510 -0.064 0.000 1.019 563 N CA 2.067 55.088 53.050 -0.048 0.000 0.880 563 N CB -0.615 37.851 38.487 -0.035 0.000 0.965 563 N HN 0.652 nan 8.380 nan 0.000 0.437 564 T N -3.280 111.227 114.554 -0.079 0.000 3.067 564 T HA 0.126 4.476 4.350 0.000 0.000 0.261 564 T C 0.880 175.536 174.700 -0.073 0.000 1.110 564 T CA -0.256 61.787 62.100 -0.095 0.000 1.113 564 T CB -0.219 68.559 68.868 -0.150 0.000 0.917 564 T HN 0.022 nan 8.240 nan 0.000 0.499 565 S N 1.659 117.326 115.700 -0.056 0.000 2.531 565 S HA 0.336 4.806 4.470 0.000 0.000 0.279 565 S C 0.463 175.075 174.600 0.021 0.000 1.305 565 S CA -0.776 57.419 58.200 -0.008 0.000 1.058 565 S CB 0.367 63.566 63.200 -0.003 0.000 0.899 565 S HN 0.390 nan 8.310 nan 0.000 0.493 566 F N 4.650 124.565 119.950 -0.058 0.000 2.115 566 F HA -0.223 4.304 4.527 0.000 0.000 0.300 566 F C 2.102 177.876 175.800 -0.044 0.000 1.092 566 F CA 2.172 60.141 58.000 -0.053 0.000 1.245 566 F CB -0.381 38.590 39.000 -0.049 0.000 0.995 566 F HN 0.492 nan 8.300 nan 0.000 0.481 567 V N -1.250 118.741 119.914 0.128 0.000 2.759 567 V HA -0.207 3.913 4.120 0.000 0.000 0.256 567 V C 2.137 178.180 176.094 -0.085 0.000 1.080 567 V CA 2.111 64.432 62.300 0.035 0.000 1.101 567 V CB -1.097 30.786 31.823 0.100 0.000 0.698 567 V HN 0.574 nan 8.190 nan 0.000 0.477 568 N N 1.331 119.981 118.700 -0.083 0.000 2.251 568 N HA -0.092 4.648 4.740 0.000 0.000 0.181 568 N C 2.082 177.504 175.510 -0.148 0.000 1.019 568 N CA 1.446 54.441 53.050 -0.092 0.000 0.862 568 N CB -0.024 38.426 38.487 -0.061 0.000 0.992 568 N HN 0.548 nan 8.380 nan 0.000 0.429 569 R N 0.621 120.999 120.500 -0.203 0.000 2.115 569 R HA 0.005 4.345 4.340 0.000 0.000 0.226 569 R C 2.280 178.388 176.300 -0.320 0.000 1.100 569 R CA 0.527 56.485 56.100 -0.236 0.000 0.980 569 R CB -0.436 29.725 30.300 -0.231 0.000 0.875 569 R HN 0.290 nan 8.270 nan 0.000 0.445 570 I N 1.205 121.482 120.570 -0.487 0.000 2.454 570 I HA -0.186 3.984 4.170 0.000 0.000 0.254 570 I C 1.959 177.919 176.117 -0.262 0.000 1.156 570 I CA 0.941 61.957 61.300 -0.474 0.000 1.433 570 I CB -0.018 37.612 38.000 -0.617 0.000 1.082 570 I HN 0.134 nan 8.210 nan 0.000 0.432 571 A N -0.639 122.059 122.820 -0.203 0.000 2.208 571 A HA -0.094 4.226 4.320 0.000 0.000 0.209 571 A C 0.906 178.421 177.584 -0.114 0.000 1.161 571 A CA 0.391 52.348 52.037 -0.133 0.000 0.782 571 A CB -0.350 18.589 19.000 -0.102 0.000 0.816 571 A HN 0.437 nan 8.150 nan 0.000 0.477 572 D N 0.786 121.109 120.400 -0.128 0.000 2.453 572 D HA 0.144 4.784 4.640 0.000 0.000 0.223 572 D C 1.397 177.637 176.300 -0.100 0.000 1.183 572 D CA 0.627 54.566 54.000 -0.101 0.000 0.933 572 D CB 0.579 41.320 40.800 -0.097 0.000 1.038 572 D HN 0.258 nan 8.370 nan 0.000 0.513 573 T N -0.498 114.006 114.554 -0.084 0.000 3.098 573 T HA -0.153 4.197 4.350 0.000 0.000 0.266 573 T C 1.650 176.312 174.700 -0.064 0.000 1.145 573 T CA 0.973 63.026 62.100 -0.078 0.000 1.092 573 T CB -0.200 68.629 68.868 -0.065 0.000 0.908 573 T HN 0.243 nan 8.240 nan 0.000 0.526 574 S N 0.246 115.910 115.700 -0.059 0.000 2.528 574 S HA 0.217 4.688 4.470 0.000 0.000 0.219 574 S C 0.547 175.117 174.600 -0.049 0.000 0.985 574 S CA -0.646 57.526 58.200 -0.046 0.000 0.914 574 S CB -0.536 62.641 63.200 -0.039 0.000 0.776 574 S HN 0.453 nan 8.310 nan 0.000 0.526 575 L N 3.516 124.700 121.223 -0.065 0.000 2.278 575 L HA 0.535 4.875 4.340 0.000 0.000 0.287 575 L C -2.773 174.058 176.870 -0.065 0.000 1.072 575 L CA -2.143 52.657 54.840 -0.067 0.000 0.819 575 L CB 0.423 42.428 42.059 -0.090 0.000 1.176 575 L HN -0.072 nan 8.230 nan 0.000 0.435 576 P HA 0.055 nan 4.420 nan 0.000 0.269 576 P C 0.961 178.245 177.300 -0.026 0.000 1.209 576 P CA -0.104 62.986 63.100 -0.017 0.000 0.776 576 P CB 0.667 32.377 31.700 0.018 0.000 0.876 577 L N 1.272 122.467 121.223 -0.047 0.000 2.043 577 L HA -0.244 4.096 4.340 0.000 0.000 0.212 577 L C 1.692 178.586 176.870 0.040 0.000 1.075 577 L CA 1.697 56.463 54.840 -0.122 0.000 0.752 577 L CB -0.621 41.171 42.059 -0.444 0.000 0.891 577 L HN 0.422 nan 8.230 nan 0.000 0.432 578 D N -0.203 120.313 120.400 0.193 0.000 2.149 578 D HA -0.185 4.456 4.640 0.000 0.000 0.198 578 D C 2.115 178.507 176.300 0.153 0.000 0.990 578 D CA 1.178 55.343 54.000 0.274 0.000 0.839 578 D CB -0.031 40.921 40.800 0.253 0.000 0.948 578 D HN 0.465 nan 8.370 nan 0.000 0.460 579 E N 0.054 120.296 120.200 0.070 0.000 2.072 579 E HA -0.126 4.224 4.350 0.000 0.000 0.190 579 E C 2.142 178.747 176.600 0.009 0.000 0.982 579 E CA 0.150 56.563 56.400 0.023 0.000 0.803 579 E CB -0.082 29.614 29.700 -0.006 0.000 0.755 579 E HN 0.097 nan 8.360 nan 0.000 0.453 580 L N 1.162 122.380 121.223 -0.008 0.000 2.043 580 L HA -0.145 4.195 4.340 0.000 0.000 0.212 580 L C 2.035 178.961 176.870 0.094 0.000 1.075 580 L CA 1.588 56.414 54.840 -0.023 0.000 0.752 580 L CB -0.192 41.795 42.059 -0.120 0.000 0.891 580 L HN 0.111 nan 8.230 nan 0.000 0.432 581 V N -2.603 117.381 119.914 0.118 0.000 3.249 581 V HA 0.554 4.674 4.120 0.000 0.000 0.338 581 V C 0.980 177.124 176.094 0.084 0.000 1.363 581 V CA -0.323 62.077 62.300 0.167 0.000 1.205 581 V CB -1.434 30.498 31.823 0.181 0.000 1.164 581 V HN 0.356 nan 8.190 nan 0.000 0.458 582 A N 1.171 124.002 122.820 0.018 0.000 2.540 582 A HA 0.232 4.553 4.320 0.000 0.000 0.239 582 A C 0.282 177.714 177.584 -0.255 0.000 1.061 582 A CA 0.439 52.449 52.037 -0.044 0.000 0.758 582 A CB -0.166 18.811 19.000 -0.037 0.000 0.991 582 A HN 0.725 nan 8.150 nan 0.000 0.502 583 D N 2.499 122.766 120.400 -0.222 0.000 2.417 583 D HA 0.261 4.901 4.640 0.000 0.000 0.250 583 D C -1.561 174.620 176.300 -0.199 0.000 1.166 583 D CA -1.126 52.689 54.000 -0.309 0.000 0.881 583 D CB 0.876 41.639 40.800 -0.061 0.000 1.164 583 D HN 0.167 nan 8.370 nan 0.000 0.467 584 P HA -0.116 nan 4.420 nan 0.000 0.217 584 P C 1.444 178.731 177.300 -0.022 0.000 1.151 584 P CA 0.322 63.370 63.100 -0.087 0.000 0.828 584 P CB 0.226 31.896 31.700 -0.049 0.000 0.788 585 V N -0.223 119.688 119.914 -0.004 0.000 2.295 585 V HA -0.238 3.883 4.120 0.000 0.000 0.246 585 V C 2.325 178.422 176.094 0.006 0.000 1.049 585 V CA 2.561 64.869 62.300 0.014 0.000 1.024 585 V CB -1.791 30.046 31.823 0.022 0.000 0.648 585 V HN 0.184 nan 8.190 nan 0.000 0.447 586 T N 0.307 114.856 114.554 -0.009 0.000 2.788 586 T HA -0.145 4.206 4.350 0.000 0.000 0.268 586 T C 2.048 176.740 174.700 -0.014 0.000 1.044 586 T CA 1.516 63.608 62.100 -0.013 0.000 1.139 586 T CB -0.414 68.439 68.868 -0.025 0.000 0.867 586 T HN 0.569 nan 8.240 nan 0.000 0.454 587 A N 0.969 123.775 122.820 -0.024 0.000 1.902 587 A HA -0.057 4.264 4.320 0.000 0.000 0.217 587 A C 2.574 180.161 177.584 0.006 0.000 1.181 587 A CA 1.347 53.370 52.037 -0.024 0.000 0.623 587 A CB -0.996 17.976 19.000 -0.047 0.000 0.818 587 A HN 0.362 nan 8.150 nan 0.000 0.443 588 V N 0.199 120.135 119.914 0.038 0.000 2.427 588 V HA -0.251 3.869 4.120 0.000 0.000 0.248 588 V C 2.358 178.490 176.094 0.064 0.000 1.051 588 V CA 2.211 64.571 62.300 0.099 0.000 1.048 588 V CB -0.817 31.087 31.823 0.136 0.000 0.666 588 V HN 0.642 nan 8.190 nan 0.000 0.456 589 E N -0.143 120.076 120.200 0.032 0.000 2.150 589 E HA -0.194 4.156 4.350 0.000 0.000 0.193 589 E C 2.262 178.871 176.600 0.015 0.000 0.985 589 E CA 0.886 57.298 56.400 0.020 0.000 0.814 589 E CB -0.109 29.596 29.700 0.009 0.000 0.752 589 E HN 0.588 nan 8.360 nan 0.000 0.466 590 K N 0.714 121.119 120.400 0.009 0.000 2.025 590 K HA -0.102 4.218 4.320 0.000 0.000 0.207 590 K C 2.276 178.881 176.600 0.007 0.000 1.049 590 K CA 0.860 57.148 56.287 0.002 0.000 0.933 590 K CB -0.191 32.303 32.500 -0.009 0.000 0.714 590 K HN 0.118 nan 8.250 nan 0.000 0.438 591 L N 0.774 122.007 121.223 0.016 0.000 2.079 591 L HA -0.222 4.118 4.340 0.000 0.000 0.210 591 L C 2.616 179.507 176.870 0.035 0.000 1.081 591 L CA 1.180 56.034 54.840 0.024 0.000 0.752 591 L CB -0.568 41.518 42.059 0.046 0.000 0.896 591 L HN 0.229 nan 8.230 nan 0.000 0.433 592 A N -0.986 121.860 122.820 0.042 0.000 1.902 592 A HA -0.250 4.070 4.320 0.000 0.000 0.217 592 A C 2.280 179.877 177.584 0.022 0.000 1.181 592 A CA 1.535 53.593 52.037 0.035 0.000 0.623 592 A CB -0.517 18.501 19.000 0.029 0.000 0.818 592 A HN 0.408 nan 8.150 nan 0.000 0.443 593 Q N -0.398 119.411 119.800 0.015 0.000 2.167 593 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 593 Q C 2.156 178.161 176.000 0.008 0.000 0.970 593 Q CA 2.043 57.852 55.803 0.009 0.000 0.855 593 Q CB -0.183 28.558 28.738 0.005 0.000 0.911 593 Q HN 0.871 nan 8.270 nan 0.000 0.438 594 Q N -0.245 119.560 119.800 0.008 0.000 2.137 594 Q HA -0.100 4.241 4.340 0.000 0.000 0.198 594 Q C 1.140 177.145 176.000 0.009 0.000 0.960 594 Q CA 1.176 56.982 55.803 0.005 0.000 0.847 594 Q CB 0.241 28.978 28.738 -0.000 0.000 0.915 594 Q HN 0.389 nan 8.270 nan 0.000 0.448 595 E N -1.641 118.569 120.200 0.016 0.000 2.415 595 E HA 0.130 4.480 4.350 0.000 0.000 0.197 595 E C 0.710 177.324 176.600 0.023 0.000 1.007 595 E CA 0.414 56.827 56.400 0.021 0.000 0.890 595 E CB 0.935 30.653 29.700 0.031 0.000 0.891 595 E HN 0.567 nan 8.360 nan 0.000 0.496 596 G N 1.926 110.739 108.800 0.021 0.000 2.195 596 G HA2 -0.255 3.705 3.960 0.000 0.000 0.224 596 G HA3 -0.255 3.705 3.960 0.000 0.000 0.224 596 G C 0.103 175.015 174.900 0.020 0.000 0.990 596 G CA 0.333 45.444 45.100 0.019 0.000 0.639 596 G HN 0.331 nan 8.290 nan 0.000 0.514 597 Q N -0.820 118.995 119.800 0.026 0.000 2.647 597 Q HA 0.589 4.929 4.340 0.000 0.000 0.283 597 Q C -1.115 174.902 176.000 0.028 0.000 0.943 597 Q CA -0.488 55.329 55.803 0.023 0.000 0.813 597 Q CB 0.371 29.123 28.738 0.023 0.000 1.477 597 Q HN 0.137 nan 8.270 nan 0.000 0.393 598 T N 0.991 115.553 114.554 0.013 0.000 2.869 598 T HA 0.529 4.879 4.350 0.000 0.000 0.295 598 T C 0.864 175.544 174.700 -0.034 0.000 0.987 598 T CA 0.855 62.955 62.100 -0.000 0.000 1.109 598 T CB 0.766 69.624 68.868 -0.018 0.000 0.932 598 T HN 1.275 nan 8.240 nan 0.000 0.518 599 G N 2.701 111.464 108.800 -0.063 0.000 2.182 599 G HA2 -0.207 3.753 3.960 0.000 0.000 0.248 599 G HA3 -0.207 3.753 3.960 0.000 0.000 0.248 599 G C 0.080 174.967 174.900 -0.021 0.000 1.042 599 G CA -0.450 44.475 45.100 -0.291 0.000 0.775 599 G HN 0.686 nan 8.290 nan 0.000 0.501 600 L N 0.464 121.775 121.223 0.147 0.000 2.483 600 L HA 0.273 4.613 4.340 0.000 0.000 0.276 600 L C -1.223 175.829 176.870 0.304 0.000 1.213 600 L CA -1.634 53.312 54.840 0.177 0.000 0.843 600 L CB 0.413 42.551 42.059 0.132 0.000 1.107 600 L HN -0.000 nan 8.230 nan 0.000 0.487 601 P HA -0.031 nan 4.420 nan 0.000 0.271 601 P C -0.462 176.988 177.300 0.250 0.000 1.233 601 P CA -0.274 63.012 63.100 0.310 0.000 0.789 601 P CB 0.259 32.113 31.700 0.257 0.000 0.951 602 H N 2.928 122.085 119.070 0.145 0.000 3.167 602 H HA -0.045 4.511 4.556 0.000 0.000 0.306 602 H C -1.369 174.005 175.328 0.077 0.000 0.965 602 H CA -0.708 55.385 56.048 0.075 0.000 1.408 602 H CB 0.143 29.947 29.762 0.069 0.000 1.406 602 H HN 0.228 nan 8.280 nan 0.000 0.576 603 P HA -0.099 nan 4.420 nan 0.000 0.221 603 P C 0.578 178.020 177.300 0.236 0.000 1.145 603 P CA 1.659 64.851 63.100 0.153 0.000 0.795 603 P CB 0.260 31.989 31.700 0.048 0.000 0.775 604 K N -1.108 119.559 120.400 0.444 0.000 2.358 604 K HA 0.233 4.553 4.320 0.000 0.000 0.197 604 K C 0.367 177.018 176.600 0.085 0.000 1.025 604 K CA 0.117 56.529 56.287 0.209 0.000 1.104 604 K CB 0.407 33.001 32.500 0.156 0.000 0.855 604 K HN 0.185 nan 8.250 nan 0.000 0.531 605 I N 2.496 123.141 120.570 0.125 0.000 2.750 605 I HA 0.224 4.394 4.170 0.000 0.000 0.279 605 I C -2.592 173.620 176.117 0.159 0.000 1.206 605 I CA -2.133 59.203 61.300 0.059 0.000 1.101 605 I CB 0.864 38.822 38.000 -0.070 0.000 1.431 605 I HN -0.203 nan 8.210 nan 0.000 0.551 606 P HA 0.182 nan 4.420 nan 0.000 0.273 606 P C -0.004 177.438 177.300 0.236 0.000 1.250 606 P CA -0.334 62.866 63.100 0.168 0.000 0.793 606 P CB 0.706 32.470 31.700 0.107 0.000 1.011 607 L N 2.227 123.546 121.223 0.160 0.000 2.483 607 L HA 0.012 4.353 4.340 0.000 0.000 0.276 607 L C -1.112 175.736 176.870 -0.036 0.000 1.213 607 L CA -1.030 53.839 54.840 0.049 0.000 0.843 607 L CB -0.249 41.805 42.059 -0.008 0.000 1.107 607 L HN 0.367 nan 8.230 nan 0.000 0.487 608 P HA -0.173 nan 4.420 nan 0.000 0.217 608 P C 0.836 178.081 177.300 -0.091 0.000 1.151 608 P CA 1.474 64.475 63.100 -0.165 0.000 0.849 608 P CB 0.104 31.627 31.700 -0.295 0.000 0.787 609 R N -0.893 119.551 120.500 -0.093 0.000 2.340 609 R HA 0.075 4.415 4.340 0.000 0.000 0.215 609 R C -0.059 176.223 176.300 -0.030 0.000 1.017 609 R CA 0.243 56.307 56.100 -0.060 0.000 1.111 609 R CB -0.343 29.918 30.300 -0.065 0.000 1.049 609 R HN 0.308 nan 8.270 nan 0.000 0.490 610 D N 0.000 120.392 120.400 -0.014 0.000 6.856 610 D HA 0.000 4.640 4.640 0.000 0.000 0.175 610 D CA 0.000 54.004 54.000 0.006 0.000 0.868 610 D CB 0.000 40.814 40.800 0.023 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683