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 3f6k_1_A DATA FIRST_RESID 55 DATA SEQUENCE RVRDFVAKLA NNTHQHVFDD LRGSVSLSWV GDSTGVILVL TTFHVPLXXX DATA SEQUENCE XXGQSKLYRS EDYGKNFKDI TDLINNTFIR TEFGMAIGPE NSGKVVLTAE DATA SEQUENCE VSGGSRGGRI FRSSDFAKNF VQTDLPFHPL TQMMYSPQNS DYLLALSTEN DATA SEQUENCE GLWVSKNFGG KWEEIHKAVc LAKWGSDNTI FFTTYANGSc KADLGALELW DATA SEQUENCE RTSDLGKSFK TIGVKIYSFG LGGRFLFASV MADKDTTRRI HVSTDQGDTW DATA SEQUENCE SMAQLPSVGQ EQFYSILAAN DDMVFMHVDE PGDTGFGTIF TSDDRGIVYS DATA SEQUENCE KSLDRHLYTT TGGETDFTNV TSLRGVYITS VLSEDNSIQT MITFDQGGRW DATA SEQUENCE THLRKPENSE cDATAKNKNE cSLHIHASYS ISQKLNVPMA PLSEPNAVGI DATA SEQUENCE VIAHGSVGDA ISVMVPDVYI SDDGGYSWTK MLEGPHYYTI LDSGGIIVAI DATA SEQUENCE EHSSRPINVI KFSTDEGQCW QTYTFTRDPI YFTGLASEPG ARSMNISIWG DATA SEQUENCE FTESFLTSQW VSYTIDFKDI LERNcEEKDY TIWLAHSTDP EDYEDGcILG DATA SEQUENCE YKEQFLRLRK SSMcQNGRDY VVTKQPSIcL cSLEDFLcDF GYYRPENDSK DATA SEQUENCE cVEQPELKGH DLEFCLYGRE EHLTTNGYRK IPGDKcQGGV NPVREVKDLK DATA SEQUENCE KKCTSNFLSP EK 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 55 R HA 0.000 nan 4.340 nan 0.000 0.208 55 R C 0.000 176.321 176.300 0.035 0.000 0.893 55 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 55 R CB 0.000 30.274 30.300 -0.044 0.000 0.687 56 V N 5.243 125.195 119.914 0.063 0.000 2.488 56 V HA 0.319 4.439 4.120 0.001 0.000 0.277 56 V C 0.611 176.856 176.094 0.252 0.000 1.046 56 V CA -0.262 62.127 62.300 0.148 0.000 0.986 56 V CB 1.061 33.003 31.823 0.198 0.000 0.989 56 V HN -0.019 nan 8.190 nan 0.000 0.475 57 R N 3.086 123.691 120.500 0.175 0.000 2.459 57 R HA 0.298 4.639 4.340 0.001 0.000 0.281 57 R C 0.177 176.562 176.300 0.141 0.000 1.050 57 R CA -0.516 55.672 56.100 0.148 0.000 1.055 57 R CB 0.276 30.622 30.300 0.076 0.000 1.045 57 R HN 0.801 nan 8.270 nan 0.000 0.495 58 D N 1.113 121.555 120.400 0.071 0.000 2.983 58 D HA -0.209 4.432 4.640 0.001 0.000 0.225 58 D C 1.005 177.306 176.300 0.002 0.000 1.174 58 D CA 1.269 55.267 54.000 -0.004 0.000 0.831 58 D CB -1.194 39.607 40.800 0.002 0.000 1.104 58 D HN 0.679 nan 8.370 nan 0.000 0.421 59 F N -1.131 118.853 119.950 0.057 0.000 2.161 59 F HA -0.152 4.375 4.527 0.001 0.000 0.300 59 F C 1.928 177.720 175.800 -0.013 0.000 1.089 59 F CA 0.832 58.867 58.000 0.059 0.000 1.282 59 F CB -0.954 38.186 39.000 0.234 0.000 1.010 59 F HN 0.041 nan 8.300 nan 0.000 0.485 60 V N 1.510 121.140 119.914 -0.473 0.000 2.295 60 V HA -0.280 3.841 4.120 0.001 0.000 0.246 60 V C 3.013 179.053 176.094 -0.091 0.000 1.049 60 V CA 2.011 64.184 62.300 -0.210 0.000 1.024 60 V CB -1.574 30.109 31.823 -0.234 0.000 0.648 60 V HN 0.580 nan 8.190 nan 0.000 0.447 61 A N -0.481 122.281 122.820 -0.097 0.000 1.978 61 A HA -0.243 4.077 4.320 0.001 0.000 0.220 61 A C 2.220 179.760 177.584 -0.073 0.000 1.170 61 A CA 1.926 53.926 52.037 -0.062 0.000 0.636 61 A CB -0.426 18.542 19.000 -0.052 0.000 0.810 61 A HN 0.574 nan 8.150 nan 0.000 0.448 62 K N -0.957 119.392 120.400 -0.085 0.000 2.418 62 K HA 0.243 4.563 4.320 0.001 0.000 0.195 62 K C 1.327 177.807 176.600 -0.200 0.000 1.035 62 K CA 0.448 56.675 56.287 -0.101 0.000 1.003 62 K CB -0.002 32.463 32.500 -0.059 0.000 0.793 62 K HN 0.455 nan 8.250 nan 0.000 0.494 63 L N -0.905 120.144 121.223 -0.291 0.000 2.467 63 L HA 0.159 4.499 4.340 0.001 0.000 0.213 63 L C 2.243 178.939 176.870 -0.291 0.000 1.053 63 L CA 0.214 54.743 54.840 -0.518 0.000 0.847 63 L CB -0.103 41.283 42.059 -1.122 0.000 1.075 63 L HN 0.052 nan 8.230 nan 0.000 0.479 64 A N 0.431 123.184 122.820 -0.110 0.000 1.940 64 A HA -0.253 4.067 4.320 0.001 0.000 0.219 64 A C 1.818 179.393 177.584 -0.016 0.000 1.176 64 A CA 2.250 54.327 52.037 0.066 0.000 0.631 64 A CB -0.563 18.491 19.000 0.089 0.000 0.814 64 A HN 0.429 nan 8.150 nan 0.000 0.446 65 N N -0.453 118.207 118.700 -0.066 0.000 2.322 65 N HA 0.030 4.771 4.740 0.001 0.000 0.194 65 N C 0.328 175.757 175.510 -0.134 0.000 1.126 65 N CA 0.216 53.218 53.050 -0.080 0.000 0.845 65 N CB -0.071 38.391 38.487 -0.041 0.000 0.976 65 N HN 0.362 nan 8.380 nan 0.000 0.475 66 N N -0.827 117.772 118.700 -0.168 0.000 2.235 66 N HA 0.115 4.856 4.740 0.001 0.000 0.231 66 N C -0.905 174.479 175.510 -0.210 0.000 1.177 66 N CA 0.152 53.114 53.050 -0.147 0.000 0.874 66 N CB 1.026 39.444 38.487 -0.115 0.000 1.097 66 N HN 0.002 nan 8.380 nan 0.000 0.518 67 T N 0.224 114.587 114.554 -0.318 0.000 2.779 67 T HA 0.375 4.726 4.350 0.001 0.000 0.280 67 T C -0.846 173.694 174.700 -0.267 0.000 0.987 67 T CA -0.232 61.812 62.100 -0.093 0.000 0.966 67 T CB 1.156 70.127 68.868 0.173 0.000 0.933 67 T HN 0.103 nan 8.240 nan 0.000 0.442 68 H N 1.461 120.635 119.070 0.172 0.000 2.658 68 H HA 0.396 4.953 4.556 0.001 0.000 0.337 68 H C -0.332 175.025 175.328 0.049 0.000 1.009 68 H CA -0.582 55.531 56.048 0.107 0.000 1.231 68 H CB 1.376 31.189 29.762 0.085 0.000 1.508 68 H HN 0.399 nan 8.280 nan 0.000 0.517 69 Q N 2.792 122.615 119.800 0.039 0.000 2.271 69 Q HA 0.246 4.586 4.340 0.001 0.000 0.258 69 Q C -1.200 174.705 176.000 -0.158 0.000 0.936 69 Q CA -0.865 54.769 55.803 -0.281 0.000 0.909 69 Q CB 1.077 29.611 28.738 -0.340 0.000 1.253 69 Q HN 0.729 nan 8.270 nan 0.000 0.440 70 H N 1.898 120.774 119.070 -0.323 0.000 2.589 70 H HA 0.499 5.056 4.556 0.001 0.000 0.351 70 H C -1.594 173.466 175.328 -0.446 0.000 1.074 70 H CA -0.540 55.297 56.048 -0.351 0.000 1.203 70 H CB 1.522 31.069 29.762 -0.359 0.000 1.558 70 H HN 0.365 nan 8.280 nan 0.000 0.522 71 V N 6.574 125.958 119.914 -0.883 0.000 2.370 71 V HA 0.224 4.344 4.120 0.001 0.000 0.283 71 V C -0.649 175.110 176.094 -0.559 0.000 1.023 71 V CA -0.483 61.532 62.300 -0.475 0.000 0.857 71 V CB 0.508 32.171 31.823 -0.267 0.000 0.985 71 V HN 0.644 nan 8.190 nan 0.000 0.443 72 F N 3.756 123.634 119.950 -0.120 0.000 2.404 72 F HA 0.295 4.822 4.527 0.001 0.000 0.358 72 F C 1.619 177.435 175.800 0.027 0.000 1.120 72 F CA -0.454 57.479 58.000 -0.112 0.000 1.144 72 F CB 0.737 39.595 39.000 -0.237 0.000 1.133 72 F HN 0.604 nan 8.300 nan 0.000 0.495 73 D N 1.584 122.096 120.400 0.186 0.000 2.190 73 D HA -0.144 4.497 4.640 0.001 0.000 0.200 73 D C -0.195 176.225 176.300 0.200 0.000 0.992 73 D CA 1.298 55.400 54.000 0.169 0.000 0.854 73 D CB -0.103 40.795 40.800 0.163 0.000 0.936 73 D HN 0.541 nan 8.370 nan 0.000 0.462 74 D N -0.721 119.843 120.400 0.273 0.000 2.871 74 D HA 0.341 4.982 4.640 0.001 0.000 0.209 74 D C -0.656 175.758 176.300 0.189 0.000 1.292 74 D CA -0.569 53.550 54.000 0.198 0.000 0.869 74 D CB 1.039 41.925 40.800 0.145 0.000 1.663 74 D HN -0.011 nan 8.370 nan 0.000 0.557 75 L N 0.730 121.963 121.223 0.017 0.000 3.293 75 L HA 0.243 4.583 4.340 0.001 0.000 0.345 75 L C -0.568 176.092 176.870 -0.350 0.000 1.311 75 L CA -0.422 54.246 54.840 -0.287 0.000 0.846 75 L CB 0.174 41.781 42.059 -0.753 0.000 1.293 75 L HN 0.197 nan 8.230 nan 0.000 0.601 76 R N 0.556 120.921 120.500 -0.226 0.000 2.707 76 R HA 0.702 5.042 4.340 0.001 0.000 0.270 76 R C 0.767 177.031 176.300 -0.060 0.000 1.083 76 R CA 0.607 56.569 56.100 -0.230 0.000 1.182 76 R CB 0.302 30.263 30.300 -0.566 0.000 1.084 76 R HN 0.412 nan 8.270 nan 0.000 0.528 77 G N 0.346 109.170 108.800 0.040 0.000 2.741 77 G HA2 -0.262 3.698 3.960 0.001 0.000 0.222 77 G HA3 -0.262 3.698 3.960 0.001 0.000 0.222 77 G C -0.808 174.120 174.900 0.048 0.000 1.364 77 G CA -0.288 44.905 45.100 0.154 0.000 0.866 77 G HN 0.534 nan 8.290 nan 0.000 0.555 78 S N -0.589 115.151 115.700 0.067 0.000 2.546 78 S HA 0.370 4.841 4.470 0.001 0.000 0.290 78 S C 0.509 175.067 174.600 -0.070 0.000 1.262 78 S CA 0.179 58.378 58.200 -0.003 0.000 1.083 78 S CB 0.702 63.917 63.200 0.025 0.000 0.859 78 S HN 1.138 nan 8.310 nan 0.000 0.495 79 V N 4.198 124.008 119.914 -0.173 0.000 2.495 79 V HA 0.706 4.826 4.120 0.001 0.000 0.298 79 V C -0.101 175.834 176.094 -0.266 0.000 1.031 79 V CA -0.641 61.486 62.300 -0.288 0.000 0.871 79 V CB 1.974 33.469 31.823 -0.547 0.000 0.988 79 V HN 0.948 nan 8.190 nan 0.000 0.432 80 S N 4.609 120.162 115.700 -0.245 0.000 2.564 80 S HA 0.898 5.368 4.470 0.001 0.000 0.274 80 S C -1.276 173.190 174.600 -0.224 0.000 1.124 80 S CA -0.811 57.268 58.200 -0.201 0.000 0.869 80 S CB 2.303 65.444 63.200 -0.099 0.000 1.105 80 S HN 0.662 nan 8.310 nan 0.000 0.472 81 L N 0.942 122.044 121.223 -0.202 0.000 2.410 81 L HA 0.847 5.188 4.340 0.001 0.000 0.270 81 L C -1.149 175.672 176.870 -0.081 0.000 0.983 81 L CA 0.079 54.795 54.840 -0.206 0.000 0.822 81 L CB 2.176 44.019 42.059 -0.360 0.000 1.285 81 L HN 0.865 nan 8.230 nan 0.000 0.409 82 S N 3.124 118.782 115.700 -0.070 0.000 2.538 82 S HA 0.557 5.028 4.470 0.001 0.000 0.288 82 S C -1.633 172.955 174.600 -0.019 0.000 1.108 82 S CA -0.392 57.832 58.200 0.041 0.000 0.971 82 S CB 0.930 64.182 63.200 0.087 0.000 1.041 82 S HN 0.537 nan 8.310 nan 0.000 0.483 83 W N 1.952 123.297 121.300 0.075 0.000 2.315 83 W HA 0.537 5.198 4.660 0.001 0.000 0.316 83 W C -0.524 176.039 176.519 0.072 0.000 1.211 83 W CA -0.509 56.874 57.345 0.064 0.000 1.201 83 W CB 0.809 30.302 29.460 0.054 0.000 1.184 83 W HN 0.267 nan 8.180 nan 0.000 0.544 84 V N 4.566 124.649 119.914 0.282 0.000 2.313 84 V HA 0.766 4.887 4.120 0.001 0.000 0.278 84 V C 0.547 176.845 176.094 0.341 0.000 1.017 84 V CA -0.519 61.938 62.300 0.261 0.000 0.823 84 V CB 0.347 32.312 31.823 0.237 0.000 1.010 84 V HN 0.921 nan 8.190 nan 0.000 0.443 85 G N 4.224 113.195 108.800 0.285 0.000 2.758 85 G HA2 -0.118 3.842 3.960 0.001 0.000 0.686 85 G HA3 -0.118 3.842 3.960 0.001 0.000 0.686 85 G C -0.847 174.149 174.900 0.161 0.000 1.389 85 G CA -0.257 45.012 45.100 0.281 0.000 0.845 85 G HN 0.858 nan 8.290 nan 0.000 0.572 86 D N -0.382 120.081 120.400 0.105 0.000 2.177 86 D HA 0.593 5.233 4.640 0.001 0.000 0.247 86 D C 1.071 177.402 176.300 0.051 0.000 1.063 86 D CA 1.027 55.065 54.000 0.063 0.000 0.867 86 D CB 0.732 41.562 40.800 0.051 0.000 1.168 86 D HN 1.349 nan 8.370 nan 0.000 0.445 87 S N 0.999 116.749 115.700 0.083 0.000 3.586 87 S HA -0.208 4.262 4.470 0.001 0.000 0.309 87 S C 1.161 175.783 174.600 0.036 0.000 1.195 87 S CA 1.186 59.456 58.200 0.117 0.000 0.895 87 S CB -2.101 61.141 63.200 0.070 0.000 0.983 87 S HN 0.757 nan 8.310 nan 0.000 0.563 88 T N -2.935 111.582 114.554 -0.062 0.000 3.000 88 T HA 0.479 4.829 4.350 0.001 0.000 0.248 88 T C 1.772 176.339 174.700 -0.221 0.000 1.034 88 T CA 0.972 62.956 62.100 -0.193 0.000 1.060 88 T CB 0.243 68.906 68.868 -0.340 0.000 0.983 88 T HN 1.714 nan 8.240 nan 0.000 0.482 89 G N 1.271 109.784 108.800 -0.477 0.000 2.168 89 G HA2 -0.237 3.723 3.960 0.001 0.000 0.263 89 G HA3 -0.237 3.723 3.960 0.001 0.000 0.263 89 G C 0.101 174.746 174.900 -0.424 0.000 0.977 89 G CA 0.145 44.662 45.100 -0.971 0.000 0.659 89 G HN 0.751 nan 8.290 nan 0.000 0.533 90 V N 1.648 121.431 119.914 -0.219 0.000 2.455 90 V HA 0.556 4.677 4.120 0.001 0.000 0.273 90 V C 0.698 176.678 176.094 -0.191 0.000 1.045 90 V CA 0.042 62.254 62.300 -0.147 0.000 0.976 90 V CB 1.136 32.952 31.823 -0.012 0.000 0.993 90 V HN 0.322 nan 8.190 nan 0.000 0.475 91 I N 6.033 126.412 120.570 -0.318 0.000 2.498 91 I HA 0.476 4.647 4.170 0.001 0.000 0.290 91 I C -0.623 175.449 176.117 -0.075 0.000 1.032 91 I CA -0.517 60.538 61.300 -0.409 0.000 1.073 91 I CB 2.141 39.795 38.000 -0.576 0.000 1.251 91 I HN 0.342 nan 8.210 nan 0.000 0.426 92 L N 6.354 127.570 121.223 -0.012 0.000 2.322 92 L HA 0.594 4.934 4.340 0.001 0.000 0.281 92 L C -0.829 176.099 176.870 0.097 0.000 1.014 92 L CA -0.884 54.026 54.840 0.117 0.000 0.815 92 L CB 2.103 44.231 42.059 0.116 0.000 1.247 92 L HN 0.289 nan 8.230 nan 0.000 0.421 93 V N 4.800 124.821 119.914 0.180 0.000 2.409 93 V HA 0.413 4.534 4.120 0.001 0.000 0.291 93 V C -0.374 175.763 176.094 0.071 0.000 1.020 93 V CA -0.530 61.789 62.300 0.031 0.000 0.848 93 V CB 2.001 33.782 31.823 -0.069 0.000 0.990 93 V HN 0.443 nan 8.190 nan 0.000 0.430 94 L N 5.535 126.740 121.223 -0.029 0.000 2.342 94 L HA 0.961 5.301 4.340 0.001 0.000 0.271 94 L C 0.121 176.958 176.870 -0.055 0.000 1.008 94 L CA 0.324 55.147 54.840 -0.028 0.000 0.818 94 L CB 2.407 44.440 42.059 -0.044 0.000 1.296 94 L HN 0.830 nan 8.230 nan 0.000 0.427 95 T N 0.060 114.607 114.554 -0.010 0.000 2.907 95 T HA 0.740 5.091 4.350 0.001 0.000 0.292 95 T C -0.552 174.198 174.700 0.083 0.000 1.043 95 T CA -0.450 61.668 62.100 0.030 0.000 1.003 95 T CB 1.645 70.583 68.868 0.117 0.000 1.084 95 T HN 0.861 nan 8.240 nan 0.000 0.483 96 T N 2.326 116.972 114.554 0.153 0.000 3.071 96 T HA 0.665 5.016 4.350 0.001 0.000 0.311 96 T C -1.527 173.357 174.700 0.307 0.000 1.042 96 T CA -0.875 61.333 62.100 0.180 0.000 1.028 96 T CB 0.385 69.362 68.868 0.181 0.000 1.068 96 T HN 0.805 nan 8.240 nan 0.000 0.451 97 F N 1.530 121.543 119.950 0.105 0.000 2.613 97 F HA 0.836 5.364 4.527 0.001 0.000 0.310 97 F C -0.838 174.942 175.800 -0.033 0.000 1.085 97 F CA -1.306 56.746 58.000 0.087 0.000 0.945 97 F CB 1.023 40.044 39.000 0.036 0.000 1.298 97 F HN 0.501 nan 8.300 nan 0.000 0.455 98 H N 0.175 119.269 119.070 0.041 0.000 2.533 98 H HA 0.596 5.153 4.556 0.001 0.000 0.343 98 H C -0.940 174.411 175.328 0.039 0.000 1.160 98 H CA -1.150 54.836 56.048 -0.104 0.000 1.218 98 H CB 2.229 31.927 29.762 -0.106 0.000 1.566 98 H HN 0.675 nan 8.280 nan 0.000 0.522 99 V N 4.217 124.178 119.914 0.080 0.000 2.240 99 V HA 0.338 4.459 4.120 0.001 0.000 0.265 99 V C -2.279 173.844 176.094 0.047 0.000 1.073 99 V CA -1.468 60.882 62.300 0.084 0.000 0.857 99 V CB -0.138 31.724 31.823 0.066 0.000 1.114 99 V HN 0.675 nan 8.190 nan 0.000 0.469 100 P HA 0.596 nan 4.420 nan 0.000 0.288 100 P C -0.764 176.541 177.300 0.009 0.000 1.363 100 P CA -0.099 63.016 63.100 0.025 0.000 0.837 100 P CB 0.896 32.606 31.700 0.016 0.000 0.981 108 Q N 0.382 119.624 119.800 -0.929 0.000 2.375 108 Q HA 0.763 5.104 4.340 0.001 0.000 0.271 108 Q C -0.707 174.979 176.000 -0.522 0.000 1.074 108 Q CA -0.815 54.610 55.803 -0.630 0.000 0.808 108 Q CB 2.687 31.095 28.738 -0.549 0.000 1.327 108 Q HN 0.451 nan 8.270 nan 0.000 0.441 109 S N 1.338 116.936 115.700 -0.170 0.000 2.536 109 S HA 0.577 5.047 4.470 0.001 0.000 0.298 109 S C -1.062 173.491 174.600 -0.078 0.000 1.083 109 S CA -0.845 57.302 58.200 -0.088 0.000 0.995 109 S CB 1.090 64.234 63.200 -0.094 0.000 1.058 109 S HN 0.271 nan 8.310 nan 0.000 0.488 110 K N 1.708 122.087 120.400 -0.036 0.000 2.316 110 K HA 0.601 4.921 4.320 0.001 0.000 0.251 110 K C -1.518 174.962 176.600 -0.200 0.000 0.934 110 K CA -0.762 55.449 56.287 -0.126 0.000 0.802 110 K CB 2.290 34.788 32.500 -0.003 0.000 1.171 110 K HN 0.424 nan 8.250 nan 0.000 0.426 111 L N 2.799 123.804 121.223 -0.363 0.000 2.381 111 L HA 0.483 4.824 4.340 0.001 0.000 0.274 111 L C -1.757 174.917 176.870 -0.326 0.000 0.988 111 L CA -0.512 54.181 54.840 -0.245 0.000 0.824 111 L CB 1.144 43.065 42.059 -0.229 0.000 1.263 111 L HN 0.500 nan 8.230 nan 0.000 0.410 112 Y N 3.642 124.019 120.300 0.129 0.000 2.499 112 Y HA 0.736 5.287 4.550 0.001 0.000 0.347 112 Y C -0.199 175.894 175.900 0.322 0.000 0.987 112 Y CA -0.697 57.556 58.100 0.255 0.000 1.044 112 Y CB 2.072 40.751 38.460 0.365 0.000 1.245 112 Y HN 0.506 nan 8.280 nan 0.000 0.461 113 R N 1.209 121.986 120.500 0.462 0.000 2.574 113 R HA 0.654 4.995 4.340 0.001 0.000 0.288 113 R C -1.367 174.930 176.300 -0.005 0.000 1.004 113 R CA -0.471 55.776 56.100 0.244 0.000 0.895 113 R CB 1.842 32.232 30.300 0.150 0.000 1.191 113 R HN 0.722 nan 8.270 nan 0.000 0.444 114 S N 1.377 116.876 115.700 -0.335 0.000 2.578 114 S HA 0.250 4.721 4.470 0.001 0.000 0.301 114 S C -0.033 174.375 174.600 -0.320 0.000 1.091 114 S CA -0.644 57.178 58.200 -0.630 0.000 1.032 114 S CB 1.244 63.701 63.200 -1.237 0.000 1.064 114 S HN 0.756 nan 8.310 nan 0.000 0.508 115 E N 1.207 121.261 120.200 -0.244 0.000 2.660 115 E HA 0.192 4.543 4.350 0.001 0.000 0.216 115 E C -0.930 175.598 176.600 -0.120 0.000 0.986 115 E CA -0.261 56.041 56.400 -0.162 0.000 1.037 115 E CB 0.034 29.673 29.700 -0.102 0.000 1.041 115 E HN 0.596 nan 8.360 nan 0.000 0.480 116 D N -0.131 120.190 120.400 -0.132 0.000 2.895 116 D HA 0.061 4.702 4.640 0.001 0.000 0.350 116 D C -0.553 175.864 176.300 0.194 0.000 1.389 116 D CA -1.028 52.994 54.000 0.037 0.000 0.812 116 D CB -0.816 39.968 40.800 -0.027 0.000 1.164 116 D HN 0.117 nan 8.370 nan 0.000 0.455 117 Y N 0.315 120.614 120.300 -0.002 0.000 4.490 117 Y HA -0.150 4.401 4.550 0.001 0.000 0.233 117 Y C 1.710 177.676 175.900 0.109 0.000 1.101 117 Y CA 1.075 59.282 58.100 0.177 0.000 2.010 117 Y CB -1.421 37.172 38.460 0.221 0.000 1.622 117 Y HN 0.573 nan 8.280 nan 0.000 0.675 118 G N -1.187 107.586 108.800 -0.045 0.000 2.179 118 G HA2 -0.308 3.653 3.960 0.001 0.000 0.220 118 G HA3 -0.308 3.653 3.960 0.001 0.000 0.220 118 G C 1.029 175.956 174.900 0.044 0.000 0.990 118 G CA 0.323 45.402 45.100 -0.035 0.000 0.646 118 G HN 0.441 nan 8.290 nan 0.000 0.517 119 K N -0.174 120.207 120.400 -0.032 0.000 2.025 119 K HA 0.005 4.326 4.320 0.001 0.000 0.207 119 K C 0.668 177.255 176.600 -0.022 0.000 1.049 119 K CA 1.187 57.454 56.287 -0.034 0.000 0.933 119 K CB -0.072 32.262 32.500 -0.276 0.000 0.714 119 K HN 0.391 nan 8.250 nan 0.000 0.438 120 N N 0.047 118.655 118.700 -0.154 0.000 2.314 120 N HA 0.258 4.999 4.740 0.001 0.000 0.294 120 N C -1.128 174.152 175.510 -0.382 0.000 1.029 120 N CA -0.353 52.623 53.050 -0.123 0.000 0.845 120 N CB 1.470 39.916 38.487 -0.068 0.000 1.321 120 N HN -0.125 nan 8.380 nan 0.000 0.481 121 F N 0.603 120.227 119.950 -0.543 0.000 2.483 121 F HA 0.449 4.977 4.527 0.001 0.000 0.329 121 F C 0.767 176.479 175.800 -0.147 0.000 1.064 121 F CA -0.797 56.952 58.000 -0.419 0.000 0.986 121 F CB 1.860 40.483 39.000 -0.629 0.000 1.218 121 F HN 0.117 nan 8.300 nan 0.000 0.484 122 K N 1.399 121.928 120.400 0.216 0.000 2.397 122 K HA 0.201 4.522 4.320 0.001 0.000 0.253 122 K C -1.540 175.225 176.600 0.275 0.000 0.932 122 K CA -0.776 55.635 56.287 0.206 0.000 0.795 122 K CB 1.443 34.010 32.500 0.112 0.000 1.159 122 K HN 0.541 nan 8.250 nan 0.000 0.424 123 D N 4.839 125.379 120.400 0.234 0.000 2.358 123 D HA 0.061 4.702 4.640 0.001 0.000 0.258 123 D C 0.567 176.852 176.300 -0.024 0.000 1.223 123 D CA -0.169 53.851 54.000 0.033 0.000 0.886 123 D CB 0.462 41.288 40.800 0.043 0.000 1.120 123 D HN 0.592 nan 8.370 nan 0.000 0.482 124 I N 0.511 121.034 120.570 -0.079 0.000 3.856 124 I HA 0.157 4.327 4.170 0.001 0.000 0.330 124 I C 1.122 177.156 176.117 -0.138 0.000 1.546 124 I CA -0.571 60.701 61.300 -0.047 0.000 1.132 124 I CB 0.317 38.343 38.000 0.042 0.000 1.157 124 I HN 0.012 nan 8.210 nan 0.000 0.440 125 T N 1.803 116.236 114.554 -0.200 0.000 2.737 125 T HA -0.180 4.171 4.350 0.001 0.000 0.269 125 T C 1.459 176.040 174.700 -0.198 0.000 1.040 125 T CA 2.310 64.271 62.100 -0.233 0.000 1.142 125 T CB -0.401 68.340 68.868 -0.212 0.000 0.861 125 T HN 0.636 nan 8.240 nan 0.000 0.456 126 D N 1.923 122.247 120.400 -0.126 0.000 2.182 126 D HA -0.103 4.538 4.640 0.001 0.000 0.201 126 D C 2.035 178.273 176.300 -0.102 0.000 0.986 126 D CA 0.717 54.663 54.000 -0.090 0.000 0.847 126 D CB -0.837 39.939 40.800 -0.040 0.000 0.942 126 D HN 0.351 nan 8.370 nan 0.000 0.467 127 L N 0.673 121.829 121.223 -0.111 0.000 2.131 127 L HA -0.063 4.278 4.340 0.001 0.000 0.210 127 L C 2.269 178.976 176.870 -0.272 0.000 1.092 127 L CA 0.954 55.740 54.840 -0.091 0.000 0.759 127 L CB -0.548 41.521 42.059 0.016 0.000 0.903 127 L HN 0.169 nan 8.230 nan 0.000 0.435 128 I N -3.390 116.869 120.570 -0.519 0.000 3.858 128 I HA 0.174 4.345 4.170 0.001 0.000 0.325 128 I C -0.082 175.670 176.117 -0.609 0.000 1.403 128 I CA -0.188 60.505 61.300 -1.013 0.000 1.169 128 I CB -0.403 36.840 38.000 -1.262 0.000 1.077 128 I HN 0.130 nan 8.210 nan 0.000 0.403 129 N N 3.035 121.586 118.700 -0.248 0.000 2.721 129 N HA -0.266 4.475 4.740 0.001 0.000 0.249 129 N C -0.165 175.280 175.510 -0.108 0.000 1.072 129 N CA 1.179 54.173 53.050 -0.093 0.000 0.710 129 N CB -1.773 36.735 38.487 0.035 0.000 0.993 129 N HN 0.718 nan 8.380 nan 0.000 0.547 130 N N -3.253 115.348 118.700 -0.164 0.000 2.696 130 N HA -0.213 4.528 4.740 0.001 0.000 0.249 130 N C -0.578 174.865 175.510 -0.113 0.000 1.090 130 N CA 1.563 54.533 53.050 -0.133 0.000 0.716 130 N CB -1.489 36.952 38.487 -0.078 0.000 1.020 130 N HN 0.417 nan 8.380 nan 0.000 0.548 131 T N 0.937 115.399 114.554 -0.152 0.000 2.904 131 T HA 0.245 4.596 4.350 0.001 0.000 0.290 131 T C 0.244 174.923 174.700 -0.035 0.000 1.018 131 T CA -0.457 61.615 62.100 -0.046 0.000 1.075 131 T CB 0.696 69.595 68.868 0.053 0.000 0.986 131 T HN 0.180 nan 8.240 nan 0.000 0.523 132 F N 4.484 124.354 119.950 -0.133 0.000 2.466 132 F HA 0.346 4.874 4.527 0.001 0.000 0.363 132 F C -0.447 175.294 175.800 -0.098 0.000 1.109 132 F CA -1.454 56.446 58.000 -0.167 0.000 1.161 132 F CB -0.161 38.718 39.000 -0.202 0.000 1.117 132 F HN 0.234 nan 8.300 nan 0.000 0.539 133 I N 7.150 127.369 120.570 -0.585 0.000 2.342 133 I HA 0.240 4.410 4.170 0.001 0.000 0.291 133 I C 0.401 176.047 176.117 -0.786 0.000 1.010 133 I CA -0.416 60.569 61.300 -0.525 0.000 1.308 133 I CB 1.009 38.841 38.000 -0.280 0.000 1.400 133 I HN 0.527 nan 8.210 nan 0.000 0.488 134 R N 4.213 124.386 120.500 -0.544 0.000 2.316 134 R HA 0.183 4.524 4.340 0.001 0.000 0.314 134 R C 0.977 177.215 176.300 -0.103 0.000 1.069 134 R CA -0.132 55.764 56.100 -0.339 0.000 0.959 134 R CB 0.626 30.915 30.300 -0.018 0.000 0.987 134 R HN 0.568 nan 8.270 nan 0.000 0.446 135 T N 1.614 116.108 114.554 -0.100 0.000 2.985 135 T HA -0.113 4.237 4.350 0.001 0.000 0.266 135 T C 1.525 176.192 174.700 -0.054 0.000 1.076 135 T CA 0.832 62.905 62.100 -0.045 0.000 1.135 135 T CB -0.019 68.838 68.868 -0.018 0.000 0.890 135 T HN 0.579 nan 8.240 nan 0.000 0.480 136 E N 1.184 121.303 120.200 -0.135 0.000 2.136 136 E HA -0.194 4.157 4.350 0.001 0.000 0.208 136 E C 1.168 177.566 176.600 -0.337 0.000 1.035 136 E CA 1.699 57.920 56.400 -0.298 0.000 0.838 136 E CB -0.449 28.948 29.700 -0.505 0.000 0.748 136 E HN 0.606 nan 8.360 nan 0.000 0.459 137 F N -0.340 119.606 119.950 -0.006 0.000 2.789 137 F HA 0.300 4.827 4.527 0.001 0.000 0.300 137 F C 1.651 177.473 175.800 0.036 0.000 1.132 137 F CA 0.549 58.559 58.000 0.016 0.000 1.404 137 F CB -0.355 38.645 39.000 -0.000 0.000 1.114 137 F HN 0.206 nan 8.300 nan 0.000 0.584 138 G N 1.197 110.085 108.800 0.147 0.000 2.668 138 G HA2 -0.317 3.644 3.960 0.001 0.000 0.266 138 G HA3 -0.317 3.644 3.960 0.001 0.000 0.266 138 G C -0.184 174.805 174.900 0.148 0.000 1.328 138 G CA -0.370 44.800 45.100 0.116 0.000 0.911 138 G HN 0.121 nan 8.290 nan 0.000 0.567 139 M N 0.811 120.495 119.600 0.141 0.000 2.180 139 M HA 0.568 5.049 4.480 0.001 0.000 0.350 139 M C 0.453 176.886 176.300 0.221 0.000 1.125 139 M CA -0.197 55.207 55.300 0.174 0.000 1.031 139 M CB 2.031 34.723 32.600 0.153 0.000 1.623 139 M HN 1.019 nan 8.290 nan 0.000 0.451 140 A N 5.493 128.481 122.820 0.279 0.000 2.366 140 A HA 0.553 4.874 4.320 0.001 0.000 0.322 140 A C -0.298 177.572 177.584 0.475 0.000 1.397 140 A CA -0.649 51.614 52.037 0.377 0.000 0.984 140 A CB -0.065 19.151 19.000 0.361 0.000 1.149 140 A HN 0.715 nan 8.150 nan 0.000 0.540 141 I N 2.879 123.638 120.570 0.316 0.000 2.395 141 I HA 0.262 4.433 4.170 0.001 0.000 0.289 141 I C 1.202 177.222 176.117 -0.161 0.000 1.023 141 I CA 0.032 61.410 61.300 0.130 0.000 1.350 141 I CB 0.638 38.701 38.000 0.106 0.000 1.409 141 I HN 0.635 nan 8.210 nan 0.000 0.507 142 G N 7.674 116.123 108.800 -0.584 0.000 2.634 142 G HA2 0.425 4.385 3.960 0.001 0.000 0.255 142 G HA3 0.425 4.385 3.960 0.001 0.000 0.255 142 G C -2.392 172.163 174.900 -0.575 0.000 1.205 142 G CA -0.688 43.651 45.100 -1.268 0.000 0.884 142 G HN 0.446 nan 8.290 nan 0.000 0.549 143 P HA 0.089 nan 4.420 nan 0.000 0.272 143 P C 0.357 177.560 177.300 -0.162 0.000 1.240 143 P CA -0.084 62.884 63.100 -0.220 0.000 0.791 143 P CB 0.954 32.550 31.700 -0.174 0.000 0.978 144 E N 0.500 120.656 120.200 -0.074 0.000 3.333 144 E HA -0.260 4.091 4.350 0.001 0.000 0.342 144 E C 0.193 176.789 176.600 -0.007 0.000 1.501 144 E CA 1.260 57.640 56.400 -0.033 0.000 1.770 144 E CB -1.635 28.037 29.700 -0.047 0.000 1.817 144 E HN 0.564 nan 8.360 nan 0.000 0.485 145 N N 0.755 119.465 118.700 0.016 0.000 2.538 145 N HA 0.134 4.874 4.740 0.001 0.000 0.291 145 N C 0.823 176.344 175.510 0.018 0.000 1.323 145 N CA 0.803 53.924 53.050 0.119 0.000 0.934 145 N CB 0.183 38.778 38.487 0.180 0.000 1.255 145 N HN 0.370 nan 8.380 nan 0.000 0.509 146 S N -0.674 114.922 115.700 -0.174 0.000 2.399 146 S HA -0.052 4.418 4.470 0.001 0.000 0.231 146 S C 1.657 175.908 174.600 -0.581 0.000 1.022 146 S CA 1.059 59.072 58.200 -0.313 0.000 0.983 146 S CB -0.357 62.618 63.200 -0.374 0.000 0.803 146 S HN 0.421 nan 8.310 nan 0.000 0.480 147 G N 1.140 109.417 108.800 -0.871 0.000 2.148 147 G HA2 -0.263 3.697 3.960 0.001 0.000 0.254 147 G HA3 -0.263 3.697 3.960 0.001 0.000 0.254 147 G C -0.085 174.283 174.900 -0.888 0.000 0.981 147 G CA 0.318 44.351 45.100 -1.778 0.000 0.670 147 G HN 0.624 nan 8.290 nan 0.000 0.528 148 K N -0.133 119.906 120.400 -0.602 0.000 2.270 148 K HA 0.563 4.884 4.320 0.001 0.000 0.276 148 K C -0.163 176.396 176.600 -0.068 0.000 1.023 148 K CA -0.294 55.756 56.287 -0.396 0.000 0.955 148 K CB 2.108 34.284 32.500 -0.540 0.000 0.975 148 K HN 0.108 nan 8.250 nan 0.000 0.471 149 V N 2.692 122.723 119.914 0.195 0.000 2.668 149 V HA 0.244 4.365 4.120 0.001 0.000 0.304 149 V C -0.753 175.624 176.094 0.471 0.000 1.071 149 V CA -1.014 61.467 62.300 0.302 0.000 0.894 149 V CB 1.987 33.924 31.823 0.190 0.000 1.008 149 V HN 0.446 nan 8.190 nan 0.000 0.425 150 V N 6.051 126.234 119.914 0.448 0.000 2.487 150 V HA 0.580 4.701 4.120 0.001 0.000 0.298 150 V C -0.421 175.834 176.094 0.268 0.000 1.028 150 V CA -0.479 62.014 62.300 0.322 0.000 0.860 150 V CB 1.830 33.771 31.823 0.198 0.000 0.991 150 V HN 0.682 nan 8.190 nan 0.000 0.427 151 L N 3.587 124.962 121.223 0.252 0.000 2.334 151 L HA 0.675 5.016 4.340 0.001 0.000 0.276 151 L C 0.036 176.953 176.870 0.078 0.000 1.014 151 L CA -0.409 54.524 54.840 0.155 0.000 0.815 151 L CB 2.242 44.363 42.059 0.103 0.000 1.268 151 L HN 0.527 nan 8.230 nan 0.000 0.428 152 T N 1.683 116.234 114.554 -0.005 0.000 2.771 152 T HA 0.647 4.998 4.350 0.001 0.000 0.281 152 T C 0.042 174.683 174.700 -0.098 0.000 0.982 152 T CA -0.487 61.519 62.100 -0.157 0.000 0.978 152 T CB 1.677 70.308 68.868 -0.395 0.000 0.930 152 T HN 0.671 nan 8.240 nan 0.000 0.447 153 A N 2.401 125.152 122.820 -0.113 0.000 2.282 153 A HA 0.714 5.034 4.320 0.001 0.000 0.319 153 A C 0.018 177.550 177.584 -0.086 0.000 1.121 153 A CA -0.715 51.281 52.037 -0.069 0.000 0.836 153 A CB 0.640 19.676 19.000 0.060 0.000 1.146 153 A HN 0.699 nan 8.150 nan 0.000 0.494 154 E N 0.469 120.635 120.200 -0.057 0.000 2.229 154 E HA 0.424 4.775 4.350 0.001 0.000 0.283 154 E C -0.150 176.489 176.600 0.065 0.000 1.030 154 E CA -0.240 56.196 56.400 0.060 0.000 0.836 154 E CB 0.776 30.620 29.700 0.239 0.000 1.068 154 E HN 0.675 nan 8.360 nan 0.000 0.401 155 V N 2.065 122.006 119.914 0.044 0.000 3.109 155 V HA 0.625 4.746 4.120 0.001 0.000 0.317 155 V C 0.353 176.472 176.094 0.041 0.000 1.074 155 V CA -0.544 61.774 62.300 0.029 0.000 1.033 155 V CB 1.152 32.981 31.823 0.010 0.000 1.111 155 V HN 0.774 nan 8.190 nan 0.000 0.458 156 S N 0.829 116.543 115.700 0.023 0.000 2.589 156 S HA 0.308 4.779 4.470 0.001 0.000 0.265 156 S C 1.333 175.939 174.600 0.009 0.000 1.342 156 S CA 0.079 58.287 58.200 0.014 0.000 1.005 156 S CB 0.608 63.810 63.200 0.003 0.000 0.909 156 S HN 1.568 nan 8.310 nan 0.000 0.555 157 G N -0.003 108.794 108.800 -0.005 0.000 2.509 157 G HA2 0.129 4.090 3.960 0.001 0.000 0.218 157 G HA3 0.129 4.090 3.960 0.001 0.000 0.218 157 G C 1.191 176.082 174.900 -0.014 0.000 1.124 157 G CA 0.300 45.388 45.100 -0.020 0.000 0.776 157 G HN 0.956 nan 8.290 nan 0.000 0.547 158 G N 0.281 109.080 108.800 -0.002 0.000 2.484 158 G HA2 0.064 4.024 3.960 0.001 0.000 0.218 158 G HA3 0.064 4.024 3.960 0.001 0.000 0.218 158 G C 0.989 175.901 174.900 0.021 0.000 1.130 158 G CA 0.433 45.535 45.100 0.004 0.000 0.784 158 G HN 0.371 nan 8.290 nan 0.000 0.543 159 S N 0.683 116.409 115.700 0.044 0.000 2.560 159 S HA 0.153 4.623 4.470 0.001 0.000 0.284 159 S C 1.595 176.280 174.600 0.142 0.000 1.327 159 S CA -0.579 57.662 58.200 0.069 0.000 1.055 159 S CB 1.047 64.303 63.200 0.092 0.000 0.868 159 S HN 0.381 nan 8.310 nan 0.000 0.506 160 R N 2.454 122.969 120.500 0.025 0.000 2.057 160 R HA 0.098 4.438 4.340 0.001 0.000 0.229 160 R C 1.171 177.345 176.300 -0.209 0.000 1.136 160 R CA 0.787 56.885 56.100 -0.003 0.000 0.952 160 R CB -0.978 29.287 30.300 -0.059 0.000 0.848 160 R HN 0.608 nan 8.270 nan 0.000 0.430 161 G N -0.728 107.776 108.800 -0.495 0.000 2.730 161 G HA2 0.536 4.497 3.960 0.001 0.000 0.289 161 G HA3 0.536 4.497 3.960 0.001 0.000 0.289 161 G C -0.384 173.954 174.900 -0.936 0.000 1.341 161 G CA -0.237 44.236 45.100 -1.044 0.000 0.932 161 G HN 0.295 nan 8.290 nan 0.000 0.481 162 G N -1.244 106.964 108.800 -0.985 0.000 2.546 162 G HA2 0.563 4.524 3.960 0.001 0.000 0.239 162 G HA3 0.563 4.524 3.960 0.001 0.000 0.239 162 G C -0.178 174.409 174.900 -0.523 0.000 1.476 162 G CA -0.471 44.289 45.100 -0.566 0.000 1.064 162 G HN 0.726 nan 8.290 nan 0.000 0.561 163 R N -1.195 119.024 120.500 -0.469 0.000 2.579 163 R HA 0.423 4.764 4.340 0.001 0.000 0.260 163 R C -1.327 174.699 176.300 -0.457 0.000 1.103 163 R CA -0.610 55.218 56.100 -0.452 0.000 0.942 163 R CB 1.228 31.306 30.300 -0.369 0.000 1.251 163 R HN 0.686 nan 8.270 nan 0.000 0.450 164 I N -0.414 119.861 120.570 -0.492 0.000 2.892 164 I HA 0.648 4.818 4.170 0.001 0.000 0.306 164 I C -1.369 174.448 176.117 -0.500 0.000 1.078 164 I CA -1.148 59.928 61.300 -0.374 0.000 1.032 164 I CB 2.191 40.035 38.000 -0.259 0.000 1.229 164 I HN 0.368 nan 8.210 nan 0.000 0.435 165 F N 2.461 122.387 119.950 -0.040 0.000 2.449 165 F HA 0.589 5.116 4.527 0.001 0.000 0.342 165 F C -0.047 175.911 175.800 0.263 0.000 1.127 165 F CA -0.518 57.533 58.000 0.084 0.000 0.975 165 F CB 1.693 40.676 39.000 -0.028 0.000 1.146 165 F HN 0.470 nan 8.300 nan 0.000 0.444 166 R N 1.259 121.969 120.500 0.350 0.000 2.599 166 R HA 0.802 5.143 4.340 0.001 0.000 0.295 166 R C -1.098 175.324 176.300 0.202 0.000 0.963 166 R CA -0.838 55.375 56.100 0.189 0.000 0.883 166 R CB 2.018 32.134 30.300 -0.307 0.000 1.171 166 R HN 0.536 nan 8.270 nan 0.000 0.450 167 S N 0.802 116.581 115.700 0.131 0.000 2.521 167 S HA 0.275 4.745 4.470 0.001 0.000 0.295 167 S C 0.219 174.850 174.600 0.051 0.000 1.098 167 S CA -0.569 57.550 58.200 -0.135 0.000 0.999 167 S CB 1.698 64.396 63.200 -0.838 0.000 1.034 167 S HN 0.733 nan 8.310 nan 0.000 0.483 168 S N 1.582 117.259 115.700 -0.039 0.000 2.578 168 S HA 0.196 4.667 4.470 0.001 0.000 0.231 168 S C -0.225 174.210 174.600 -0.275 0.000 0.994 168 S CA -0.244 57.812 58.200 -0.239 0.000 0.956 168 S CB -0.205 62.867 63.200 -0.212 0.000 0.870 168 S HN 0.768 nan 8.310 nan 0.000 0.494 169 D N 0.550 120.834 120.400 -0.194 0.000 3.010 169 D HA 0.290 4.930 4.640 0.001 0.000 0.347 169 D C -0.294 176.045 176.300 0.066 0.000 1.340 169 D CA -1.161 52.809 54.000 -0.049 0.000 0.858 169 D CB -1.331 39.490 40.800 0.035 0.000 1.111 169 D HN 0.137 nan 8.370 nan 0.000 0.482 170 F N 0.461 120.347 119.950 -0.108 0.000 3.091 170 F HA -0.211 4.317 4.527 0.001 0.000 0.288 170 F C 1.437 177.182 175.800 -0.092 0.000 0.907 170 F CA 0.406 58.357 58.000 -0.081 0.000 1.028 170 F CB -2.088 36.878 39.000 -0.055 0.000 1.022 170 F HN 0.489 nan 8.300 nan 0.000 0.665 171 A N -1.974 120.764 122.820 -0.137 0.000 2.899 171 A HA -0.396 3.925 4.320 0.001 0.000 0.257 171 A C 1.585 179.131 177.584 -0.062 0.000 1.335 171 A CA 1.904 53.796 52.037 -0.242 0.000 0.924 171 A CB -1.683 17.388 19.000 0.117 0.000 1.105 171 A HN 0.571 nan 8.150 nan 0.000 0.765 172 K N 0.252 120.633 120.400 -0.032 0.000 2.103 172 K HA 0.030 4.351 4.320 0.001 0.000 0.204 172 K C 0.425 177.051 176.600 0.042 0.000 1.052 172 K CA 1.707 58.016 56.287 0.037 0.000 0.945 172 K CB 0.028 32.555 32.500 0.045 0.000 0.722 172 K HN 0.734 nan 8.250 nan 0.000 0.443 173 N N -0.717 117.955 118.700 -0.047 0.000 2.235 173 N HA 0.238 4.979 4.740 0.001 0.000 0.293 173 N C -1.431 174.024 175.510 -0.091 0.000 1.083 173 N CA -0.496 52.569 53.050 0.026 0.000 0.801 173 N CB 1.496 40.004 38.487 0.035 0.000 1.559 173 N HN -0.134 nan 8.380 nan 0.000 0.472 174 F N 0.347 120.356 119.950 0.098 0.000 2.563 174 F HA 0.518 5.046 4.527 0.001 0.000 0.316 174 F C 0.148 176.037 175.800 0.148 0.000 1.076 174 F CA -0.812 57.273 58.000 0.141 0.000 0.921 174 F CB 1.962 41.054 39.000 0.153 0.000 1.209 174 F HN -0.016 nan 8.300 nan 0.000 0.462 175 V N 2.815 122.925 119.914 0.326 0.000 2.680 175 V HA 0.401 4.522 4.120 0.001 0.000 0.309 175 V C -0.841 175.351 176.094 0.163 0.000 1.052 175 V CA -0.557 61.872 62.300 0.214 0.000 0.908 175 V CB 1.964 33.851 31.823 0.106 0.000 1.001 175 V HN 0.799 nan 8.190 nan 0.000 0.431 176 Q N 2.941 122.764 119.800 0.038 0.000 2.267 176 Q HA 0.486 4.827 4.340 0.001 0.000 0.255 176 Q C -1.038 174.808 176.000 -0.258 0.000 0.923 176 Q CA -0.202 55.403 55.803 -0.330 0.000 0.925 176 Q CB 1.302 29.840 28.738 -0.333 0.000 1.195 176 Q HN 0.802 nan 8.270 nan 0.000 0.417 177 T N 3.805 118.158 114.554 -0.336 0.000 2.848 177 T HA 0.275 4.626 4.350 0.001 0.000 0.285 177 T C -1.292 173.229 174.700 -0.298 0.000 0.995 177 T CA -0.807 61.156 62.100 -0.228 0.000 0.970 177 T CB 1.176 69.954 68.868 -0.150 0.000 0.976 177 T HN 0.522 nan 8.240 nan 0.000 0.441 178 D N 2.741 122.993 120.400 -0.246 0.000 2.225 178 D HA 0.341 4.982 4.640 0.001 0.000 0.248 178 D C 0.021 176.122 176.300 -0.332 0.000 1.096 178 D CA -0.241 53.582 54.000 -0.295 0.000 0.863 178 D CB 1.424 42.087 40.800 -0.227 0.000 1.156 178 D HN 0.346 nan 8.370 nan 0.000 0.450 179 L N 3.833 124.740 121.223 -0.526 0.000 2.375 179 L HA 0.239 4.579 4.340 0.001 0.000 0.271 179 L C -1.376 175.088 176.870 -0.678 0.000 1.107 179 L CA -1.515 52.865 54.840 -0.766 0.000 0.806 179 L CB 1.113 42.364 42.059 -1.347 0.000 1.146 179 L HN 0.205 nan 8.230 nan 0.000 0.447 180 P HA 0.084 nan 4.420 nan 0.000 0.253 180 P C -0.853 176.132 177.300 -0.525 0.000 1.459 180 P CA 0.293 63.149 63.100 -0.407 0.000 0.908 180 P CB -0.314 31.297 31.700 -0.148 0.000 1.470 181 F N -3.084 116.318 119.950 -0.913 0.000 2.779 181 F HA 0.533 5.060 4.527 0.001 0.000 0.316 181 F C -0.967 174.358 175.800 -0.791 0.000 1.164 181 F CA -1.397 56.108 58.000 -0.826 0.000 0.924 181 F CB 0.726 39.002 39.000 -1.205 0.000 1.348 181 F HN -0.260 nan 8.300 nan 0.000 0.467 182 H N 1.013 119.937 119.070 -0.244 0.000 2.541 182 H HA 0.375 4.932 4.556 0.001 0.000 0.316 182 H C -2.685 172.580 175.328 -0.105 0.000 1.043 182 H CA -1.627 54.255 56.048 -0.277 0.000 1.232 182 H CB 1.665 31.356 29.762 -0.119 0.000 1.406 182 H HN 0.222 nan 8.280 nan 0.000 0.469 183 P HA -0.055 nan 4.420 nan 0.000 0.271 183 P C 0.634 178.024 177.300 0.150 0.000 1.216 183 P CA -0.281 62.792 63.100 -0.044 0.000 0.776 183 P CB 1.136 32.553 31.700 -0.470 0.000 0.881 184 L N 2.317 123.702 121.223 0.269 0.000 2.577 184 L HA 0.260 4.601 4.340 0.001 0.000 0.225 184 L C 0.487 177.614 176.870 0.428 0.000 1.053 184 L CA 1.280 56.318 54.840 0.331 0.000 0.866 184 L CB -0.417 41.762 42.059 0.201 0.000 1.132 184 L HN 0.392 nan 8.230 nan 0.000 0.486 185 T N -2.217 112.573 114.554 0.394 0.000 2.950 185 T HA 0.350 4.701 4.350 0.001 0.000 0.288 185 T C -0.222 174.763 174.700 0.475 0.000 1.035 185 T CA -0.597 61.724 62.100 0.368 0.000 1.028 185 T CB 1.216 70.218 68.868 0.224 0.000 1.109 185 T HN 0.272 nan 8.240 nan 0.000 0.514 186 Q N 0.750 120.814 119.800 0.441 0.000 2.361 186 Q HA 0.216 4.557 4.340 0.001 0.000 0.276 186 Q C -0.367 175.773 176.000 0.235 0.000 1.022 186 Q CA -0.166 55.859 55.803 0.370 0.000 0.898 186 Q CB 0.401 29.320 28.738 0.302 0.000 1.246 186 Q HN 0.646 nan 8.270 nan 0.000 0.410 187 M N 3.362 123.059 119.600 0.161 0.000 2.245 187 M HA 0.101 4.582 4.480 0.001 0.000 0.344 187 M C -0.469 175.930 176.300 0.165 0.000 1.170 187 M CA 1.071 56.465 55.300 0.157 0.000 1.135 187 M CB 0.574 33.239 32.600 0.108 0.000 1.574 187 M HN 0.562 nan 8.290 nan 0.000 0.452 188 M N 3.301 123.046 119.600 0.242 0.000 2.181 188 M HA 0.371 4.851 4.480 0.001 0.000 0.323 188 M C -1.523 175.064 176.300 0.479 0.000 1.004 188 M CA -0.560 54.970 55.300 0.383 0.000 0.941 188 M CB 1.307 34.189 32.600 0.469 0.000 1.579 188 M HN 0.425 nan 8.290 nan 0.000 0.427 189 Y N 0.651 121.162 120.300 0.353 0.000 2.309 189 Y HA 0.242 4.793 4.550 0.001 0.000 0.327 189 Y C 0.984 176.672 175.900 -0.353 0.000 1.172 189 Y CA 0.032 58.200 58.100 0.113 0.000 1.280 189 Y CB 1.098 39.582 38.460 0.041 0.000 1.234 189 Y HN 0.594 nan 8.280 nan 0.000 0.512 190 S N 3.996 119.184 115.700 -0.854 0.000 2.533 190 S HA 0.094 4.565 4.470 0.001 0.000 0.282 190 S C -1.662 172.647 174.600 -0.485 0.000 1.304 190 S CA -1.257 56.082 58.200 -1.435 0.000 1.063 190 S CB 0.620 62.804 63.200 -1.692 0.000 0.881 190 S HN 0.464 nan 8.310 nan 0.000 0.493 191 P HA -0.044 nan 4.420 nan 0.000 0.221 191 P C 1.200 178.417 177.300 -0.138 0.000 1.150 191 P CA 0.690 63.722 63.100 -0.113 0.000 0.800 191 P CB 0.086 31.785 31.700 -0.001 0.000 0.787 192 Q N -0.849 118.848 119.800 -0.172 0.000 2.230 192 Q HA -0.060 4.281 4.340 0.001 0.000 0.202 192 Q C 0.116 175.967 176.000 -0.249 0.000 0.963 192 Q CA 0.799 56.502 55.803 -0.167 0.000 0.866 192 Q CB 0.041 28.699 28.738 -0.132 0.000 0.931 192 Q HN 0.012 nan 8.270 nan 0.000 0.452 193 N N -0.743 117.751 118.700 -0.343 0.000 2.655 193 N HA 0.009 4.750 4.740 0.001 0.000 0.277 193 N C -0.403 174.913 175.510 -0.324 0.000 1.177 193 N CA 0.261 53.049 53.050 -0.438 0.000 0.882 193 N CB 1.374 39.354 38.487 -0.846 0.000 1.481 193 N HN 0.112 nan 8.380 nan 0.000 0.547 194 S N 1.149 116.721 115.700 -0.214 0.000 2.507 194 S HA -0.049 4.422 4.470 0.001 0.000 0.235 194 S C 0.668 175.307 174.600 0.065 0.000 0.988 194 S CA 0.849 59.002 58.200 -0.078 0.000 0.944 194 S CB 0.119 63.174 63.200 -0.242 0.000 0.762 194 S HN 0.456 nan 8.310 nan 0.000 0.526 195 D N -0.080 120.305 120.400 -0.026 0.000 2.349 195 D HA 0.096 4.737 4.640 0.001 0.000 0.215 195 D C -0.663 175.855 176.300 0.363 0.000 1.016 195 D CA 0.369 54.457 54.000 0.146 0.000 0.870 195 D CB 0.067 40.919 40.800 0.088 0.000 0.917 195 D HN 0.405 nan 8.370 nan 0.000 0.524 196 Y N 0.934 121.238 120.300 0.006 0.000 2.341 196 Y HA 0.422 4.973 4.550 0.001 0.000 0.340 196 Y C 0.466 176.443 175.900 0.128 0.000 0.997 196 Y CA -0.912 57.199 58.100 0.018 0.000 1.149 196 Y CB 0.470 38.854 38.460 -0.126 0.000 1.171 196 Y HN -0.291 nan 8.280 nan 0.000 0.494 197 L N 5.460 126.886 121.223 0.339 0.000 2.354 197 L HA 0.671 5.011 4.340 0.001 0.000 0.269 197 L C -0.769 176.400 176.870 0.498 0.000 1.005 197 L CA -1.308 53.748 54.840 0.360 0.000 0.819 197 L CB 1.992 44.119 42.059 0.112 0.000 1.311 197 L HN 0.436 nan 8.230 nan 0.000 0.423 198 L N 1.105 122.652 121.223 0.539 0.000 2.333 198 L HA 1.121 5.462 4.340 0.001 0.000 0.263 198 L C -0.745 176.323 176.870 0.330 0.000 1.014 198 L CA -0.594 54.439 54.840 0.322 0.000 0.820 198 L CB 2.072 44.072 42.059 -0.098 0.000 1.352 198 L HN 0.681 nan 8.230 nan 0.000 0.421 199 A N 2.148 125.119 122.820 0.252 0.000 2.594 199 A HA 0.714 5.035 4.320 0.001 0.000 0.296 199 A C -1.620 175.992 177.584 0.045 0.000 1.061 199 A CA -0.531 51.604 52.037 0.164 0.000 0.689 199 A CB 1.047 20.154 19.000 0.178 0.000 1.280 199 A HN 0.842 nan 8.150 nan 0.000 0.406 200 L N 1.969 123.236 121.223 0.072 0.000 2.343 200 L HA 0.598 4.938 4.340 0.001 0.000 0.275 200 L C 1.001 177.920 176.870 0.082 0.000 1.056 200 L CA -0.485 54.390 54.840 0.059 0.000 0.804 200 L CB 1.990 44.104 42.059 0.092 0.000 1.203 200 L HN 0.981 nan 8.230 nan 0.000 0.440 201 S N -1.080 114.670 115.700 0.085 0.000 2.730 201 S HA 0.216 4.687 4.470 0.001 0.000 0.284 201 S C 1.004 175.713 174.600 0.182 0.000 1.153 201 S CA -0.037 58.270 58.200 0.177 0.000 0.995 201 S CB 1.430 64.743 63.200 0.188 0.000 1.058 201 S HN 0.743 nan 8.310 nan 0.000 0.552 202 T N -1.953 112.718 114.554 0.195 0.000 3.035 202 T HA 0.043 4.394 4.350 0.001 0.000 0.268 202 T C 0.844 175.620 174.700 0.127 0.000 1.109 202 T CA 1.001 63.189 62.100 0.146 0.000 1.119 202 T CB -0.603 68.337 68.868 0.120 0.000 0.900 202 T HN 0.744 nan 8.240 nan 0.000 0.503 203 E N 1.170 121.459 120.200 0.149 0.000 2.465 203 E HA 0.191 4.541 4.350 0.001 0.000 0.191 203 E C -0.231 176.447 176.600 0.129 0.000 1.053 203 E CA -0.384 56.095 56.400 0.131 0.000 0.869 203 E CB -0.246 29.536 29.700 0.135 0.000 0.977 203 E HN 0.582 nan 8.360 nan 0.000 0.483 204 N N -0.002 118.779 118.700 0.135 0.000 2.740 204 N HA -0.160 4.581 4.740 0.001 0.000 0.248 204 N C -0.218 175.316 175.510 0.040 0.000 1.062 204 N CA 0.607 53.731 53.050 0.123 0.000 0.704 204 N CB -1.078 37.541 38.487 0.221 0.000 0.968 204 N HN 0.296 nan 8.380 nan 0.000 0.547 205 G N -0.306 108.522 108.800 0.048 0.000 2.400 205 G HA2 0.562 4.522 3.960 0.001 0.000 0.301 205 G HA3 0.562 4.522 3.960 0.001 0.000 0.301 205 G C -0.398 174.418 174.900 -0.139 0.000 1.154 205 G CA -0.608 44.427 45.100 -0.109 0.000 0.852 205 G HN 0.187 nan 8.290 nan 0.000 0.511 206 L N 1.734 122.755 121.223 -0.335 0.000 2.264 206 L HA 0.686 5.027 4.340 0.001 0.000 0.289 206 L C -1.321 175.278 176.870 -0.451 0.000 1.044 206 L CA -1.234 53.411 54.840 -0.325 0.000 0.807 206 L CB 0.417 42.190 42.059 -0.476 0.000 1.192 206 L HN 0.508 nan 8.230 nan 0.000 0.425 207 W N 4.640 125.735 121.300 -0.342 0.000 2.632 207 W HA 0.711 5.371 4.660 0.001 0.000 0.328 207 W C -0.833 175.724 176.519 0.063 0.000 1.044 207 W CA -0.604 56.607 57.345 -0.223 0.000 1.225 207 W CB 1.927 31.019 29.460 -0.614 0.000 1.396 207 W HN 0.232 nan 8.180 nan 0.000 0.499 208 V N 2.309 122.406 119.914 0.306 0.000 2.680 208 V HA 0.664 4.784 4.120 0.001 0.000 0.309 208 V C -0.468 175.649 176.094 0.038 0.000 1.052 208 V CA -0.956 61.451 62.300 0.178 0.000 0.908 208 V CB 1.843 33.664 31.823 -0.002 0.000 1.001 208 V HN 0.462 nan 8.190 nan 0.000 0.431 209 S N 2.306 117.844 115.700 -0.271 0.000 2.521 209 S HA 0.528 4.999 4.470 0.001 0.000 0.295 209 S C 0.155 174.575 174.600 -0.301 0.000 1.098 209 S CA -0.688 57.164 58.200 -0.580 0.000 0.999 209 S CB 1.650 63.961 63.200 -1.483 0.000 1.034 209 S HN 0.743 nan 8.310 nan 0.000 0.483 210 K N 1.987 122.235 120.400 -0.253 0.000 2.358 210 K HA 0.175 4.495 4.320 0.001 0.000 0.197 210 K C 0.111 176.751 176.600 0.067 0.000 1.025 210 K CA 0.028 56.205 56.287 -0.183 0.000 1.104 210 K CB 0.122 32.480 32.500 -0.236 0.000 0.855 210 K HN 0.649 nan 8.250 nan 0.000 0.531 211 N N 0.183 118.874 118.700 -0.015 0.000 2.610 211 N HA -0.021 4.719 4.740 0.001 0.000 0.307 211 N C -0.346 175.221 175.510 0.095 0.000 1.813 211 N CA -0.677 52.406 53.050 0.055 0.000 0.901 211 N CB -0.415 38.077 38.487 0.008 0.000 1.354 211 N HN 0.010 nan 8.380 nan 0.000 0.491 212 F N 1.902 121.817 119.950 -0.059 0.000 3.027 212 F HA -0.138 4.390 4.527 0.001 0.000 0.276 212 F C 1.084 176.831 175.800 -0.088 0.000 0.967 212 F CA 1.036 59.014 58.000 -0.037 0.000 0.929 212 F CB -1.437 37.577 39.000 0.024 0.000 0.873 212 F HN 0.707 nan 8.300 nan 0.000 0.787 213 G N -0.063 108.492 108.800 -0.409 0.000 2.143 213 G HA2 -0.171 3.789 3.960 0.001 0.000 0.248 213 G HA3 -0.171 3.789 3.960 0.001 0.000 0.248 213 G C 1.461 176.230 174.900 -0.218 0.000 0.991 213 G CA 0.885 45.698 45.100 -0.480 0.000 0.689 213 G HN 1.654 nan 8.290 nan 0.000 0.522 214 G N -0.513 108.143 108.800 -0.240 0.000 2.404 214 G HA2 0.217 4.177 3.960 0.001 0.000 0.215 214 G HA3 0.217 4.177 3.960 0.001 0.000 0.215 214 G C 0.770 175.639 174.900 -0.051 0.000 1.174 214 G CA 1.241 46.283 45.100 -0.097 0.000 0.780 214 G HN 0.488 nan 8.290 nan 0.000 0.537 215 K N -0.690 119.609 120.400 -0.170 0.000 2.422 215 K HA 0.391 4.712 4.320 0.001 0.000 0.251 215 K C -1.870 174.626 176.600 -0.174 0.000 0.933 215 K CA -0.623 55.647 56.287 -0.028 0.000 0.798 215 K CB 2.345 34.847 32.500 0.004 0.000 1.238 215 K HN 0.208 nan 8.250 nan 0.000 0.428 216 W N 1.244 122.628 121.300 0.140 0.000 2.719 216 W HA 0.371 5.031 4.660 0.001 0.000 0.352 216 W C 0.005 176.714 176.519 0.316 0.000 1.085 216 W CA -0.531 56.973 57.345 0.265 0.000 1.187 216 W CB 1.313 31.009 29.460 0.394 0.000 1.417 216 W HN 0.494 nan 8.180 nan 0.000 0.557 217 E N 0.016 120.500 120.200 0.473 0.000 2.314 217 E HA 0.395 4.746 4.350 0.001 0.000 0.272 217 E C -1.265 175.233 176.600 -0.169 0.000 0.884 217 E CA -1.221 55.291 56.400 0.188 0.000 0.753 217 E CB 2.015 31.736 29.700 0.035 0.000 1.213 217 E HN 0.499 nan 8.360 nan 0.000 0.432 218 E N 3.289 122.985 120.200 -0.840 0.000 2.194 218 E HA 0.221 4.571 4.350 0.001 0.000 0.284 218 E C 0.588 176.820 176.600 -0.612 0.000 1.035 218 E CA -0.591 55.053 56.400 -1.259 0.000 0.836 218 E CB 0.762 29.174 29.700 -2.147 0.000 1.070 218 E HN 0.772 nan 8.360 nan 0.000 0.401 219 I N -0.255 120.051 120.570 -0.441 0.000 3.645 219 I HA 0.296 4.467 4.170 0.001 0.000 0.300 219 I C 0.244 176.240 176.117 -0.202 0.000 1.260 219 I CA 0.011 61.204 61.300 -0.179 0.000 1.365 219 I CB 0.265 38.249 38.000 -0.025 0.000 1.077 219 I HN 0.494 nan 8.210 nan 0.000 0.439 220 H N 1.238 120.000 119.070 -0.514 0.000 3.079 220 H HA 0.384 4.940 4.556 0.001 0.000 0.356 220 H C -0.580 174.432 175.328 -0.527 0.000 1.221 220 H CA -0.567 55.133 56.048 -0.580 0.000 1.185 220 H CB 2.512 31.805 29.762 -0.781 0.000 1.882 220 H HN -0.068 nan 8.280 nan 0.000 0.543 221 K N 1.345 121.472 120.400 -0.456 0.000 2.334 221 K HA 0.283 4.604 4.320 0.001 0.000 0.195 221 K C 0.160 176.630 176.600 -0.216 0.000 1.045 221 K CA 0.555 56.645 56.287 -0.328 0.000 1.004 221 K CB 0.818 33.094 32.500 -0.373 0.000 0.837 221 K HN 0.434 nan 8.250 nan 0.000 0.510 222 A N 1.753 124.465 122.820 -0.179 0.000 3.258 222 A HA 0.368 4.689 4.320 0.001 0.000 0.318 222 A C -0.818 176.553 177.584 -0.356 0.000 0.990 222 A CA -0.465 51.303 52.037 -0.449 0.000 0.885 222 A CB 0.480 19.000 19.000 -0.799 0.000 1.090 222 A HN -0.076 nan 8.150 nan 0.000 0.479 223 V N -0.057 119.812 119.914 -0.075 0.000 2.513 223 V HA 0.191 4.312 4.120 0.001 0.000 0.299 223 V C 0.728 176.933 176.094 0.186 0.000 1.035 223 V CA -0.411 61.903 62.300 0.023 0.000 0.889 223 V CB 1.328 33.092 31.823 -0.097 0.000 0.988 223 V HN 0.800 nan 8.190 nan 0.000 0.440 224 c N 3.816 122.555 118.600 0.231 0.000 2.535 224 c HA 0.469 5.039 4.570 0.001 0.000 0.310 224 c C 0.178 174.376 174.090 0.180 0.000 1.344 224 c CA 0.087 56.541 56.329 0.210 0.000 1.831 224 c CB -0.056 42.571 42.510 0.195 0.000 2.284 224 c HN 0.644 nan 8.230 nan 0.000 0.523 225 L N 0.356 121.725 121.223 0.243 0.000 2.482 225 L HA 0.788 5.128 4.340 0.001 0.000 0.263 225 L C -1.169 175.933 176.870 0.387 0.000 0.957 225 L CA -0.455 54.544 54.840 0.265 0.000 0.836 225 L CB 1.388 43.603 42.059 0.260 0.000 1.324 225 L HN 0.101 nan 8.230 nan 0.000 0.406 226 A N 4.213 127.220 122.820 0.311 0.000 2.486 226 A HA 0.919 5.240 4.320 0.001 0.000 0.300 226 A C -1.550 176.216 177.584 0.304 0.000 1.048 226 A CA -0.673 51.580 52.037 0.360 0.000 0.696 226 A CB 1.609 20.696 19.000 0.145 0.000 1.278 226 A HN 0.597 nan 8.150 nan 0.000 0.405 227 K N 0.903 121.553 120.400 0.417 0.000 2.508 227 K HA 0.456 4.776 4.320 0.001 0.000 0.260 227 K C -1.658 175.149 176.600 0.345 0.000 0.949 227 K CA -0.562 55.941 56.287 0.360 0.000 0.834 227 K CB 1.778 34.534 32.500 0.427 0.000 1.365 227 K HN 0.623 nan 8.250 nan 0.000 0.437 228 W N 1.135 122.645 121.300 0.350 0.000 2.287 228 W HA 0.327 4.988 4.660 0.001 0.000 0.313 228 W C 0.916 177.649 176.519 0.356 0.000 1.267 228 W CA 0.015 57.538 57.345 0.296 0.000 1.201 228 W CB 1.263 30.869 29.460 0.244 0.000 1.196 228 W HN 0.863 nan 8.180 nan 0.000 0.536 229 G N 1.034 110.198 108.800 0.608 0.000 2.773 229 G HA2 0.433 4.393 3.960 0.001 0.000 0.186 229 G HA3 0.433 4.393 3.960 0.001 0.000 0.186 229 G C -0.538 174.595 174.900 0.388 0.000 1.411 229 G CA -0.663 44.783 45.100 0.576 0.000 1.054 229 G HN 0.380 nan 8.290 nan 0.000 0.579 230 S N 0.031 115.908 115.700 0.295 0.000 2.632 230 S HA 0.384 4.854 4.470 0.001 0.000 0.271 230 S C -0.391 174.299 174.600 0.151 0.000 1.260 230 S CA -0.181 58.131 58.200 0.186 0.000 1.010 230 S CB 0.972 64.255 63.200 0.138 0.000 0.965 230 S HN 0.589 nan 8.310 nan 0.000 0.534 231 D N 1.667 122.127 120.400 0.098 0.000 2.772 231 D HA -0.155 4.485 4.640 0.001 0.000 0.233 231 D C -0.368 176.004 176.300 0.121 0.000 1.143 231 D CA 0.495 54.541 54.000 0.077 0.000 0.700 231 D CB -1.386 39.452 40.800 0.064 0.000 1.076 231 D HN 0.711 nan 8.370 nan 0.000 0.430 232 N N -1.575 117.227 118.700 0.169 0.000 2.776 232 N HA -0.154 4.586 4.740 0.001 0.000 0.249 232 N C -0.412 175.359 175.510 0.435 0.000 1.111 232 N CA 1.484 54.730 53.050 0.327 0.000 0.711 232 N CB -1.594 37.091 38.487 0.330 0.000 1.065 232 N HN 0.352 nan 8.380 nan 0.000 0.556 233 T N 1.012 115.750 114.554 0.307 0.000 2.889 233 T HA 0.610 4.961 4.350 0.001 0.000 0.291 233 T C 0.998 175.729 174.700 0.051 0.000 0.995 233 T CA -0.165 61.981 62.100 0.077 0.000 1.092 233 T CB 1.509 70.306 68.868 -0.119 0.000 0.954 233 T HN 0.083 nan 8.240 nan 0.000 0.506 234 I N 2.920 123.393 120.570 -0.162 0.000 2.406 234 I HA 0.428 4.599 4.170 0.001 0.000 0.290 234 I C -0.902 175.100 176.117 -0.192 0.000 0.999 234 I CA -0.711 60.488 61.300 -0.168 0.000 1.124 234 I CB 1.149 39.032 38.000 -0.195 0.000 1.289 234 I HN 0.481 nan 8.210 nan 0.000 0.441 235 F N 6.846 126.925 119.950 0.216 0.000 2.443 235 F HA 0.679 5.207 4.527 0.001 0.000 0.335 235 F C -0.203 175.702 175.800 0.176 0.000 1.104 235 F CA -0.777 57.258 58.000 0.059 0.000 1.013 235 F CB 1.381 40.360 39.000 -0.036 0.000 1.136 235 F HN 0.260 nan 8.300 nan 0.000 0.470 236 F N -0.954 119.026 119.950 0.049 0.000 2.678 236 F HA 0.731 5.258 4.527 0.001 0.000 0.308 236 F C -0.947 174.849 175.800 -0.007 0.000 1.118 236 F CA -1.269 56.777 58.000 0.076 0.000 0.959 236 F CB 0.976 39.984 39.000 0.012 0.000 1.305 236 F HN 0.413 nan 8.300 nan 0.000 0.443 237 T N -0.556 114.150 114.554 0.253 0.000 2.929 237 T HA 0.804 5.154 4.350 0.001 0.000 0.284 237 T C -0.367 174.404 174.700 0.119 0.000 1.014 237 T CA -0.294 61.886 62.100 0.134 0.000 1.051 237 T CB 1.664 70.677 68.868 0.242 0.000 1.028 237 T HN 1.066 nan 8.240 nan 0.000 0.485 238 T N -0.588 113.981 114.554 0.025 0.000 2.906 238 T HA 0.663 5.014 4.350 0.001 0.000 0.295 238 T C -1.084 173.652 174.700 0.060 0.000 1.061 238 T CA -1.038 61.023 62.100 -0.066 0.000 1.000 238 T CB 1.241 69.867 68.868 -0.403 0.000 1.103 238 T HN 0.856 nan 8.240 nan 0.000 0.486 239 Y N -0.135 120.161 120.300 -0.007 0.000 2.468 239 Y HA 0.871 5.422 4.550 0.001 0.000 0.342 239 Y C -0.616 175.290 175.900 0.010 0.000 1.021 239 Y CA -1.666 56.437 58.100 0.005 0.000 1.079 239 Y CB 1.575 40.034 38.460 -0.002 0.000 1.226 239 Y HN 1.003 nan 8.280 nan 0.000 0.460 240 A N 3.321 126.219 122.820 0.131 0.000 2.679 240 A HA 0.679 5.000 4.320 0.001 0.000 0.288 240 A C -0.674 176.974 177.584 0.107 0.000 1.160 240 A CA -0.319 51.752 52.037 0.056 0.000 0.763 240 A CB -0.031 18.988 19.000 0.032 0.000 1.270 240 A HN 0.874 nan 8.150 nan 0.000 0.417 241 N N 0.462 119.244 118.700 0.137 0.000 2.512 241 N HA 0.093 4.833 4.740 0.001 0.000 0.287 241 N C 0.205 175.786 175.510 0.118 0.000 1.109 241 N CA 1.022 54.135 53.050 0.104 0.000 2.069 241 N CB -0.257 38.282 38.487 0.086 0.000 1.933 241 N HN 1.493 nan 8.380 nan 0.000 1.346 242 G N 0.405 109.299 108.800 0.157 0.000 2.519 242 G HA2 0.498 4.459 3.960 0.001 0.000 0.292 242 G HA3 0.498 4.459 3.960 0.001 0.000 0.292 242 G C -0.798 174.072 174.900 -0.050 0.000 1.507 242 G CA 0.504 45.668 45.100 0.107 0.000 0.806 242 G HN 1.006 nan 8.290 nan 0.000 0.523 243 S N -1.147 114.411 115.700 -0.238 0.000 3.576 243 S HA -0.265 4.206 4.470 0.001 0.000 0.486 243 S C 1.720 175.778 174.600 -0.904 0.000 1.157 243 S CA 0.773 58.594 58.200 -0.631 0.000 0.873 243 S CB -0.974 62.050 63.200 -0.294 0.000 0.920 243 S HN 1.707 nan 8.310 nan 0.000 0.394 244 c N 4.168 122.160 118.600 -1.013 0.000 2.401 244 c HA -0.145 4.425 4.570 0.001 0.000 0.276 244 c C 2.664 176.583 174.090 -0.285 0.000 1.233 244 c CA 1.470 57.480 56.329 -0.532 0.000 1.753 244 c CB -1.680 40.667 42.510 -0.272 0.000 2.029 244 c HN 1.001 nan 8.230 nan 0.000 0.478 245 K N 1.287 121.541 120.400 -0.242 0.000 2.116 245 K HA 0.082 4.403 4.320 0.001 0.000 0.203 245 K C 2.040 178.557 176.600 -0.138 0.000 1.052 245 K CA 1.373 57.562 56.287 -0.163 0.000 0.952 245 K CB -0.282 32.145 32.500 -0.122 0.000 0.729 245 K HN 0.421 nan 8.250 nan 0.000 0.446 246 A N 1.221 123.957 122.820 -0.139 0.000 2.169 246 A HA -0.076 4.245 4.320 0.001 0.000 0.212 246 A C 1.330 178.874 177.584 -0.066 0.000 1.153 246 A CA 0.992 52.977 52.037 -0.088 0.000 0.756 246 A CB 0.034 18.992 19.000 -0.071 0.000 0.813 246 A HN 0.111 nan 8.150 nan 0.000 0.471 247 D N -0.645 119.705 120.400 -0.084 0.000 2.368 247 D HA 0.148 4.788 4.640 0.001 0.000 0.218 247 D C -0.039 176.236 176.300 -0.042 0.000 1.112 247 D CA -0.254 53.734 54.000 -0.020 0.000 0.834 247 D CB -0.043 40.794 40.800 0.061 0.000 0.953 247 D HN 0.266 nan 8.370 nan 0.000 0.505 248 L N -0.044 121.112 121.223 -0.112 0.000 2.525 248 L HA 0.237 4.577 4.340 0.001 0.000 0.278 248 L C 1.635 178.430 176.870 -0.125 0.000 1.218 248 L CA 1.392 56.101 54.840 -0.219 0.000 0.878 248 L CB 0.640 42.491 42.059 -0.347 0.000 1.127 248 L HN 0.287 nan 8.230 nan 0.000 0.492 249 G N 3.023 111.766 108.800 -0.095 0.000 2.184 249 G HA2 -0.254 3.707 3.960 0.001 0.000 0.264 249 G HA3 -0.254 3.707 3.960 0.001 0.000 0.264 249 G C 0.531 175.468 174.900 0.063 0.000 0.975 249 G CA 0.395 45.566 45.100 0.118 0.000 0.642 249 G HN 1.363 nan 8.290 nan 0.000 0.536 250 A N -0.114 122.724 122.820 0.030 0.000 2.616 250 A HA 0.741 5.061 4.320 0.001 0.000 0.294 250 A C 0.758 178.367 177.584 0.042 0.000 1.091 250 A CA -0.173 51.882 52.037 0.029 0.000 0.971 250 A CB 0.222 19.240 19.000 0.030 0.000 1.222 250 A HN 0.510 nan 8.150 nan 0.000 0.521 251 L N 0.783 122.034 121.223 0.046 0.000 2.466 251 L HA 0.341 4.681 4.340 0.001 0.000 0.257 251 L C 0.525 177.428 176.870 0.056 0.000 1.189 251 L CA -0.379 54.505 54.840 0.074 0.000 0.813 251 L CB 0.534 42.647 42.059 0.090 0.000 1.118 251 L HN 0.515 nan 8.230 nan 0.000 0.471 252 E N 1.162 121.417 120.200 0.092 0.000 2.207 252 E HA 0.544 4.895 4.350 0.001 0.000 0.270 252 E C -1.263 175.399 176.600 0.103 0.000 0.927 252 E CA -0.989 55.465 56.400 0.090 0.000 0.799 252 E CB 2.561 32.382 29.700 0.201 0.000 1.172 252 E HN 0.208 nan 8.360 nan 0.000 0.404 253 L N 2.448 123.660 121.223 -0.019 0.000 2.282 253 L HA 0.487 4.827 4.340 0.001 0.000 0.288 253 L C -1.723 175.083 176.870 -0.106 0.000 1.033 253 L CA -0.256 54.521 54.840 -0.105 0.000 0.807 253 L CB 0.373 42.319 42.059 -0.189 0.000 1.209 253 L HN 0.600 nan 8.230 nan 0.000 0.423 254 W N 4.907 125.842 121.300 -0.608 0.000 2.706 254 W HA 0.694 5.354 4.660 0.001 0.000 0.346 254 W C -0.250 175.953 176.519 -0.527 0.000 1.071 254 W CA -0.606 56.342 57.345 -0.661 0.000 1.206 254 W CB 1.334 30.053 29.460 -1.233 0.000 1.413 254 W HN 0.404 nan 8.180 nan 0.000 0.542 255 R N 0.919 121.406 120.500 -0.022 0.000 2.686 255 R HA 0.645 4.986 4.340 0.001 0.000 0.286 255 R C -1.244 175.117 176.300 0.103 0.000 0.969 255 R CA -0.468 55.617 56.100 -0.024 0.000 0.898 255 R CB 2.130 32.420 30.300 -0.017 0.000 1.183 255 R HN 0.451 nan 8.270 nan 0.000 0.456 256 T N 1.057 115.637 114.554 0.043 0.000 2.890 256 T HA 0.235 4.586 4.350 0.001 0.000 0.295 256 T C 0.183 174.818 174.700 -0.108 0.000 0.993 256 T CA -0.409 61.649 62.100 -0.069 0.000 0.979 256 T CB 1.441 70.202 68.868 -0.177 0.000 0.967 256 T HN 0.566 nan 8.240 nan 0.000 0.441 257 S N 2.898 118.537 115.700 -0.102 0.000 2.501 257 S HA 0.049 4.519 4.470 0.001 0.000 0.220 257 S C 0.764 175.352 174.600 -0.020 0.000 0.997 257 S CA 0.379 58.546 58.200 -0.054 0.000 0.919 257 S CB -0.001 63.175 63.200 -0.040 0.000 0.778 257 S HN 0.921 nan 8.310 nan 0.000 0.523 258 D N 0.375 120.733 120.400 -0.069 0.000 2.788 258 D HA 0.267 4.908 4.640 0.001 0.000 0.289 258 D C 0.270 176.515 176.300 -0.092 0.000 1.340 258 D CA -0.459 53.506 54.000 -0.058 0.000 0.831 258 D CB -0.792 39.964 40.800 -0.074 0.000 1.103 258 D HN 0.123 nan 8.370 nan 0.000 0.476 259 L N 0.038 121.215 121.223 -0.076 0.000 3.865 259 L HA -0.237 4.104 4.340 0.001 0.000 0.408 259 L C 1.280 178.057 176.870 -0.154 0.000 1.209 259 L CA 0.517 55.300 54.840 -0.096 0.000 0.940 259 L CB -1.710 40.276 42.059 -0.123 0.000 1.971 259 L HN 0.615 nan 8.230 nan 0.000 0.899 260 G N -1.877 106.764 108.800 -0.265 0.000 2.184 260 G HA2 -0.243 3.718 3.960 0.001 0.000 0.206 260 G HA3 -0.243 3.718 3.960 0.001 0.000 0.206 260 G C 0.916 175.584 174.900 -0.388 0.000 0.995 260 G CA 0.244 45.136 45.100 -0.347 0.000 0.651 260 G HN 0.218 nan 8.290 nan 0.000 0.511 261 K N 0.527 120.751 120.400 -0.294 0.000 2.001 261 K HA 0.122 4.443 4.320 0.001 0.000 0.208 261 K C 1.103 177.578 176.600 -0.207 0.000 1.048 261 K CA 1.562 57.741 56.287 -0.181 0.000 0.932 261 K CB -0.231 32.203 32.500 -0.111 0.000 0.715 261 K HN 0.514 nan 8.250 nan 0.000 0.437 262 S N -0.349 115.166 115.700 -0.308 0.000 2.607 262 S HA 0.621 5.092 4.470 0.001 0.000 0.303 262 S C -0.545 173.787 174.600 -0.447 0.000 1.086 262 S CA -0.760 57.317 58.200 -0.204 0.000 0.995 262 S CB 1.321 64.468 63.200 -0.088 0.000 1.084 262 S HN 0.019 nan 8.310 nan 0.000 0.507 263 F N 0.825 120.858 119.950 0.138 0.000 2.603 263 F HA 0.637 5.164 4.527 0.001 0.000 0.317 263 F C 0.068 175.859 175.800 -0.015 0.000 1.066 263 F CA -0.810 57.296 58.000 0.177 0.000 0.941 263 F CB 1.837 41.141 39.000 0.506 0.000 1.291 263 F HN 0.371 nan 8.300 nan 0.000 0.472 264 K N 1.047 121.505 120.400 0.096 0.000 2.507 264 K HA 0.363 4.683 4.320 0.001 0.000 0.251 264 K C -1.059 175.338 176.600 -0.339 0.000 0.943 264 K CA -0.541 55.673 56.287 -0.122 0.000 0.794 264 K CB 1.821 34.288 32.500 -0.055 0.000 1.188 264 K HN 0.787 nan 8.250 nan 0.000 0.428 265 T N 2.810 116.997 114.554 -0.612 0.000 2.752 265 T HA 0.255 4.606 4.350 0.001 0.000 0.295 265 T C 1.180 175.693 174.700 -0.312 0.000 0.923 265 T CA -0.629 61.025 62.100 -0.744 0.000 1.112 265 T CB -0.251 68.122 68.868 -0.825 0.000 0.884 265 T HN 0.617 nan 8.240 nan 0.000 0.525 266 I N 0.616 121.083 120.570 -0.172 0.000 4.018 266 I HA 0.606 4.777 4.170 0.001 0.000 0.337 266 I C 0.687 176.823 176.117 0.032 0.000 1.327 266 I CA -0.850 60.491 61.300 0.069 0.000 1.100 266 I CB 0.062 38.222 38.000 0.266 0.000 1.025 266 I HN 0.787 nan 8.210 nan 0.000 0.396 267 G N 1.140 109.837 108.800 -0.171 0.000 2.655 267 G HA2 0.535 4.495 3.960 0.001 0.000 0.296 267 G HA3 0.535 4.495 3.960 0.001 0.000 0.296 267 G C -1.277 173.479 174.900 -0.241 0.000 1.485 267 G CA -0.196 44.708 45.100 -0.327 0.000 0.869 267 G HN 0.215 nan 8.290 nan 0.000 0.540 268 V N -1.808 117.959 119.914 -0.245 0.000 3.126 268 V HA 0.874 4.995 4.120 0.001 0.000 0.314 268 V C 0.387 176.386 176.094 -0.157 0.000 1.138 268 V CA -1.162 61.046 62.300 -0.153 0.000 1.034 268 V CB 1.828 33.579 31.823 -0.119 0.000 1.075 268 V HN 0.939 nan 8.190 nan 0.000 0.442 269 K N 0.302 120.652 120.400 -0.083 0.000 3.069 269 K HA -0.127 4.194 4.320 0.001 0.000 0.267 269 K C -0.123 176.448 176.600 -0.048 0.000 1.082 269 K CA 0.541 56.794 56.287 -0.057 0.000 0.782 269 K CB -1.573 30.881 32.500 -0.076 0.000 1.230 269 K HN 0.680 nan 8.250 nan 0.000 0.488 270 I N 0.378 120.928 120.570 -0.034 0.000 2.575 270 I HA -0.010 4.161 4.170 0.001 0.000 0.285 270 I C 1.917 178.108 176.117 0.123 0.000 1.085 270 I CA 0.113 61.422 61.300 0.015 0.000 1.403 270 I CB 0.328 38.337 38.000 0.014 0.000 1.409 270 I HN 0.127 nan 8.210 nan 0.000 0.557 271 Y N 3.523 123.842 120.300 0.032 0.000 2.382 271 Y HA 0.131 4.682 4.550 0.001 0.000 0.292 271 Y C 1.429 177.391 175.900 0.104 0.000 1.151 271 Y CA 0.619 58.756 58.100 0.062 0.000 1.198 271 Y CB 0.816 39.313 38.460 0.062 0.000 1.195 271 Y HN 0.645 nan 8.280 nan 0.000 0.530 272 S N -1.509 114.402 115.700 0.351 0.000 2.672 272 S HA 0.563 5.033 4.470 0.001 0.000 0.271 272 S C -1.835 172.983 174.600 0.363 0.000 1.171 272 S CA -0.404 57.975 58.200 0.299 0.000 0.817 272 S CB 0.662 64.011 63.200 0.248 0.000 1.150 272 S HN 0.195 nan 8.310 nan 0.000 0.478 273 F N -0.713 119.333 119.950 0.160 0.000 2.662 273 F HA 0.942 5.470 4.527 0.001 0.000 0.312 273 F C -0.310 175.605 175.800 0.192 0.000 1.113 273 F CA -0.243 57.861 58.000 0.174 0.000 0.951 273 F CB 1.100 40.190 39.000 0.150 0.000 1.344 273 F HN 0.846 nan 8.300 nan 0.000 0.462 274 G N 1.278 110.202 108.800 0.206 0.000 2.660 274 G HA2 0.620 4.580 3.960 0.001 0.000 0.290 274 G HA3 0.620 4.580 3.960 0.001 0.000 0.290 274 G C -2.746 172.364 174.900 0.351 0.000 1.432 274 G CA -1.041 44.130 45.100 0.117 0.000 0.807 274 G HN 0.605 nan 8.290 nan 0.000 0.485 275 L N 0.221 121.624 121.223 0.300 0.000 2.346 275 L HA 0.891 5.232 4.340 0.001 0.000 0.276 275 L C 0.542 177.643 176.870 0.385 0.000 1.006 275 L CA -0.778 54.255 54.840 0.321 0.000 0.817 275 L CB 1.808 44.024 42.059 0.262 0.000 1.272 275 L HN 0.972 nan 8.230 nan 0.000 0.421 276 G N 0.388 109.468 108.800 0.467 0.000 2.711 276 G HA2 0.562 4.523 3.960 0.001 0.000 0.288 276 G HA3 0.562 4.523 3.960 0.001 0.000 0.288 276 G C 0.043 175.182 174.900 0.399 0.000 1.451 276 G CA 0.250 45.630 45.100 0.465 0.000 1.186 276 G HN 0.939 nan 8.290 nan 0.000 0.560 277 G N 2.227 111.174 108.800 0.244 0.000 2.622 277 G HA2 -0.368 3.593 3.960 0.001 0.000 0.307 277 G HA3 -0.368 3.593 3.960 0.001 0.000 0.307 277 G C 1.223 176.070 174.900 -0.089 0.000 1.226 277 G CA 0.945 46.096 45.100 0.084 0.000 0.997 277 G HN 0.932 nan 8.290 nan 0.000 0.551 278 R N -0.164 120.071 120.500 -0.442 0.000 2.313 278 R HA 0.328 4.668 4.340 0.001 0.000 0.199 278 R C 0.123 176.092 176.300 -0.551 0.000 0.958 278 R CA 0.082 55.860 56.100 -0.536 0.000 1.047 278 R CB -0.136 29.703 30.300 -0.770 0.000 0.955 278 R HN 0.249 nan 8.270 nan 0.000 0.481 279 F N -0.065 119.839 119.950 -0.077 0.000 2.450 279 F HA 0.320 4.848 4.527 0.001 0.000 0.332 279 F C -0.173 175.417 175.800 -0.350 0.000 1.093 279 F CA -1.553 56.256 58.000 -0.318 0.000 1.003 279 F CB 0.998 39.637 39.000 -0.601 0.000 1.151 279 F HN -0.242 nan 8.300 nan 0.000 0.474 280 L N 3.749 124.818 121.223 -0.257 0.000 2.287 280 L HA 0.625 4.966 4.340 0.001 0.000 0.287 280 L C -1.565 175.194 176.870 -0.184 0.000 1.022 280 L CA -0.434 54.286 54.840 -0.200 0.000 0.814 280 L CB 0.217 42.074 42.059 -0.337 0.000 1.217 280 L HN 0.401 nan 8.230 nan 0.000 0.420 281 F N 4.158 124.259 119.950 0.252 0.000 2.480 281 F HA 0.827 5.354 4.527 0.001 0.000 0.329 281 F C 0.366 176.361 175.800 0.324 0.000 1.091 281 F CA -0.399 57.764 58.000 0.271 0.000 0.972 281 F CB 2.001 41.092 39.000 0.152 0.000 1.150 281 F HN 0.641 nan 8.300 nan 0.000 0.467 282 A N 1.346 124.441 122.820 0.459 0.000 2.393 282 A HA 0.708 5.028 4.320 0.001 0.000 0.306 282 A C -0.825 176.840 177.584 0.134 0.000 1.050 282 A CA -0.737 51.447 52.037 0.246 0.000 0.724 282 A CB 1.159 20.115 19.000 -0.073 0.000 1.248 282 A HN 0.728 nan 8.150 nan 0.000 0.424 283 S N 0.882 116.658 115.700 0.126 0.000 2.508 283 S HA 0.741 5.211 4.470 0.001 0.000 0.284 283 S C -0.462 174.162 174.600 0.040 0.000 1.192 283 S CA -0.570 57.674 58.200 0.072 0.000 1.070 283 S CB 1.250 64.512 63.200 0.103 0.000 1.004 283 S HN 0.918 nan 8.310 nan 0.000 0.493 284 V N 4.185 124.083 119.914 -0.027 0.000 2.656 284 V HA 0.431 4.552 4.120 0.001 0.000 0.307 284 V C -0.160 175.901 176.094 -0.054 0.000 1.051 284 V CA -0.811 61.413 62.300 -0.126 0.000 0.893 284 V CB 1.951 33.500 31.823 -0.457 0.000 0.999 284 V HN 0.931 nan 8.190 nan 0.000 0.426 285 M N 3.332 122.918 119.600 -0.024 0.000 2.188 285 M HA 0.511 4.992 4.480 0.001 0.000 0.357 285 M C 0.360 176.643 176.300 -0.028 0.000 1.204 285 M CA -0.286 55.014 55.300 0.001 0.000 1.095 285 M CB 1.588 34.230 32.600 0.071 0.000 1.604 285 M HN 0.775 nan 8.290 nan 0.000 0.464 286 A N 3.654 126.459 122.820 -0.025 0.000 2.451 286 A HA 0.205 4.526 4.320 0.001 0.000 0.266 286 A C 0.100 177.678 177.584 -0.009 0.000 1.119 286 A CA -0.625 51.395 52.037 -0.028 0.000 0.786 286 A CB -0.178 18.810 19.000 -0.020 0.000 1.061 286 A HN 0.829 nan 8.150 nan 0.000 0.503 287 D N 1.806 122.199 120.400 -0.011 0.000 2.414 287 D HA 0.135 4.776 4.640 0.001 0.000 0.242 287 D C 0.223 176.531 176.300 0.013 0.000 1.129 287 D CA -0.166 53.834 54.000 0.001 0.000 0.885 287 D CB 0.851 41.648 40.800 -0.004 0.000 1.198 287 D HN 0.522 nan 8.370 nan 0.000 0.437 288 K N -0.127 120.281 120.400 0.015 0.000 3.291 288 K HA -0.185 4.136 4.320 0.001 0.000 0.290 288 K C -1.615 174.996 176.600 0.019 0.000 1.235 288 K CA 1.096 57.394 56.287 0.018 0.000 0.848 288 K CB -1.276 31.237 32.500 0.022 0.000 1.295 288 K HN 0.721 nan 8.250 nan 0.000 0.497 289 D N -3.621 116.789 120.400 0.017 0.000 2.653 289 D HA 0.340 4.981 4.640 0.001 0.000 0.258 289 D C 0.521 176.831 176.300 0.015 0.000 1.252 289 D CA 0.238 54.247 54.000 0.015 0.000 0.777 289 D CB 1.041 41.849 40.800 0.013 0.000 1.339 289 D HN -0.040 nan 8.370 nan 0.000 0.422 290 T N -3.063 111.497 114.554 0.010 0.000 3.022 290 T HA 0.207 4.558 4.350 0.001 0.000 0.250 290 T C 1.002 175.695 174.700 -0.011 0.000 1.060 290 T CA 0.456 62.564 62.100 0.013 0.000 1.013 290 T CB -0.258 68.617 68.868 0.010 0.000 0.982 290 T HN 0.414 nan 8.240 nan 0.000 0.508 291 T N 1.034 115.573 114.554 -0.026 0.000 2.816 291 T HA 0.614 4.965 4.350 0.001 0.000 0.282 291 T C -0.080 174.582 174.700 -0.063 0.000 0.993 291 T CA -1.028 61.037 62.100 -0.057 0.000 0.994 291 T CB 1.383 70.225 68.868 -0.044 0.000 1.025 291 T HN 0.748 nan 8.240 nan 0.000 0.529 292 R N -0.153 120.295 120.500 -0.087 0.000 2.817 292 R HA 0.763 5.104 4.340 0.001 0.000 0.268 292 R C -1.110 175.207 176.300 0.029 0.000 1.027 292 R CA -1.293 54.773 56.100 -0.057 0.000 0.928 292 R CB 1.669 31.873 30.300 -0.161 0.000 1.228 292 R HN 0.689 nan 8.270 nan 0.000 0.469 293 R N 0.495 121.024 120.500 0.048 0.000 2.799 293 R HA 0.483 4.824 4.340 0.001 0.000 0.270 293 R C -0.764 175.515 176.300 -0.035 0.000 1.010 293 R CA -1.107 55.000 56.100 0.012 0.000 0.916 293 R CB 1.887 32.183 30.300 -0.008 0.000 1.228 293 R HN 0.421 nan 8.270 nan 0.000 0.469 294 I N 2.236 122.651 120.570 -0.258 0.000 2.385 294 I HA 0.276 4.447 4.170 0.001 0.000 0.294 294 I C -0.282 175.822 176.117 -0.022 0.000 0.988 294 I CA -0.329 60.840 61.300 -0.218 0.000 1.265 294 I CB 1.132 38.831 38.000 -0.502 0.000 1.388 294 I HN 0.504 nan 8.210 nan 0.000 0.480 295 H N 3.681 122.762 119.070 0.018 0.000 2.622 295 H HA 0.682 5.239 4.556 0.001 0.000 0.363 295 H C -0.669 174.876 175.328 0.361 0.000 1.151 295 H CA -0.571 55.568 56.048 0.152 0.000 1.184 295 H CB 2.140 31.941 29.762 0.064 0.000 1.643 295 H HN 0.200 nan 8.280 nan 0.000 0.531 296 V N 1.118 121.293 119.914 0.435 0.000 2.735 296 V HA 0.582 4.703 4.120 0.001 0.000 0.310 296 V C -0.290 175.807 176.094 0.005 0.000 1.061 296 V CA -0.735 61.651 62.300 0.143 0.000 0.913 296 V CB 1.928 33.718 31.823 -0.055 0.000 1.005 296 V HN 0.758 nan 8.190 nan 0.000 0.428 297 S N 1.412 116.903 115.700 -0.347 0.000 2.538 297 S HA 0.556 5.026 4.470 0.001 0.000 0.288 297 S C 0.419 174.835 174.600 -0.307 0.000 1.108 297 S CA 0.194 58.062 58.200 -0.552 0.000 0.971 297 S CB 1.906 64.295 63.200 -1.352 0.000 1.041 297 S HN 1.028 nan 8.310 nan 0.000 0.483 298 T N -0.130 114.314 114.554 -0.183 0.000 3.129 298 T HA 0.251 4.602 4.350 0.001 0.000 0.267 298 T C -0.131 174.492 174.700 -0.128 0.000 1.018 298 T CA -0.113 61.914 62.100 -0.122 0.000 0.903 298 T CB -0.323 68.517 68.868 -0.046 0.000 1.067 298 T HN 0.605 nan 8.240 nan 0.000 0.549 299 D N 0.833 121.130 120.400 -0.172 0.000 2.957 299 D HA 0.140 4.780 4.640 0.001 0.000 0.352 299 D C 0.246 176.482 176.300 -0.107 0.000 1.352 299 D CA -0.580 53.351 54.000 -0.114 0.000 0.831 299 D CB -0.467 40.278 40.800 -0.093 0.000 1.147 299 D HN 0.355 nan 8.370 nan 0.000 0.467 300 Q N 0.015 119.765 119.800 -0.084 0.000 2.457 300 Q HA -0.202 4.139 4.340 0.001 0.000 0.283 300 Q C 0.977 176.975 176.000 -0.004 0.000 1.234 300 Q CA 0.709 56.565 55.803 0.087 0.000 0.877 300 Q CB -1.960 26.940 28.738 0.269 0.000 1.250 300 Q HN 0.825 nan 8.270 nan 0.000 0.481 301 G N -0.638 107.931 108.800 -0.386 0.000 2.148 301 G HA2 -0.310 3.651 3.960 0.001 0.000 0.254 301 G HA3 -0.310 3.651 3.960 0.001 0.000 0.254 301 G C 0.336 175.132 174.900 -0.173 0.000 0.981 301 G CA 0.369 45.182 45.100 -0.479 0.000 0.670 301 G HN 0.445 nan 8.290 nan 0.000 0.528 302 D N 0.042 120.345 120.400 -0.162 0.000 2.144 302 D HA 0.078 4.718 4.640 0.001 0.000 0.200 302 D C 1.746 178.004 176.300 -0.070 0.000 0.978 302 D CA 2.025 55.986 54.000 -0.064 0.000 0.833 302 D CB 0.114 40.883 40.800 -0.050 0.000 0.961 302 D HN 0.831 nan 8.370 nan 0.000 0.470 303 T N -2.996 111.430 114.554 -0.212 0.000 2.909 303 T HA 0.549 4.900 4.350 0.001 0.000 0.299 303 T C -1.426 173.073 174.700 -0.335 0.000 1.073 303 T CA -0.934 61.087 62.100 -0.132 0.000 0.999 303 T CB 1.666 70.508 68.868 -0.044 0.000 1.098 303 T HN -0.026 nan 8.240 nan 0.000 0.477 304 W N 0.745 122.073 121.300 0.046 0.000 2.936 304 W HA 0.706 5.366 4.660 0.001 0.000 0.338 304 W C -0.409 176.168 176.519 0.097 0.000 1.121 304 W CA -0.599 56.789 57.345 0.072 0.000 1.209 304 W CB 2.698 32.207 29.460 0.082 0.000 1.420 304 W HN 0.802 nan 8.180 nan 0.000 0.516 305 S N 2.180 118.088 115.700 0.348 0.000 2.548 305 S HA 0.561 5.032 4.470 0.001 0.000 0.286 305 S C -0.527 174.157 174.600 0.140 0.000 1.098 305 S CA -1.024 57.318 58.200 0.238 0.000 0.930 305 S CB 1.440 64.783 63.200 0.239 0.000 1.070 305 S HN 0.534 nan 8.310 nan 0.000 0.480 306 M N 2.390 121.971 119.600 -0.032 0.000 2.228 306 M HA 0.699 5.180 4.480 0.001 0.000 0.351 306 M C -0.118 176.198 176.300 0.027 0.000 1.233 306 M CA -0.125 54.993 55.300 -0.304 0.000 1.129 306 M CB 0.314 32.653 32.600 -0.435 0.000 1.604 306 M HN 0.589 nan 8.290 nan 0.000 0.457 307 A N 3.101 125.881 122.820 -0.067 0.000 2.322 307 A HA 0.217 4.538 4.320 0.001 0.000 0.269 307 A C -0.030 177.518 177.584 -0.060 0.000 1.094 307 A CA -0.626 51.417 52.037 0.009 0.000 0.807 307 A CB 0.574 19.534 19.000 -0.066 0.000 1.047 307 A HN 0.892 nan 8.150 nan 0.000 0.487 308 Q N 1.418 121.088 119.800 -0.217 0.000 3.027 308 Q HA 0.431 4.771 4.340 0.001 0.000 0.260 308 Q C -1.509 174.343 176.000 -0.247 0.000 1.379 308 Q CA 0.287 55.842 55.803 -0.413 0.000 1.038 308 Q CB -0.403 27.820 28.738 -0.858 0.000 1.578 308 Q HN 0.616 nan 8.270 nan 0.000 0.571 309 L N 3.005 123.996 121.223 -0.387 0.000 2.465 309 L HA 0.563 4.904 4.340 0.001 0.000 0.257 309 L C -2.351 174.077 176.870 -0.737 0.000 0.988 309 L CA -2.251 52.086 54.840 -0.837 0.000 0.827 309 L CB 2.704 44.236 42.059 -0.879 0.000 1.397 309 L HN 0.368 nan 8.230 nan 0.000 0.410 310 P HA 0.062 nan 4.420 nan 0.000 0.269 310 P C -0.558 176.638 177.300 -0.173 0.000 1.209 310 P CA -0.242 62.586 63.100 -0.453 0.000 0.776 310 P CB 0.846 32.330 31.700 -0.359 0.000 0.876 311 S N 1.265 116.919 115.700 -0.076 0.000 2.600 311 S HA 0.439 4.910 4.470 0.001 0.000 0.265 311 S C 0.319 174.858 174.600 -0.101 0.000 1.325 311 S CA -0.558 57.628 58.200 -0.023 0.000 1.002 311 S CB 0.390 63.579 63.200 -0.019 0.000 0.921 311 S HN 0.483 nan 8.310 nan 0.000 0.554 312 V N -1.211 118.617 119.914 -0.143 0.000 2.962 312 V HA 0.932 5.052 4.120 0.001 0.000 0.313 312 V C 0.536 176.512 176.094 -0.198 0.000 1.099 312 V CA -0.494 61.647 62.300 -0.265 0.000 0.971 312 V CB 1.074 32.562 31.823 -0.559 0.000 1.028 312 V HN 1.166 nan 8.190 nan 0.000 0.430 313 G N 0.796 109.490 108.800 -0.177 0.000 2.563 313 G HA2 0.350 4.311 3.960 0.001 0.000 0.283 313 G HA3 0.350 4.311 3.960 0.001 0.000 0.283 313 G C 0.190 175.004 174.900 -0.143 0.000 1.309 313 G CA -0.258 44.764 45.100 -0.130 0.000 1.022 313 G HN 0.861 nan 8.290 nan 0.000 0.501 314 Q N -0.940 118.813 119.800 -0.079 0.000 2.224 314 Q HA -0.062 4.279 4.340 0.001 0.000 0.203 314 Q C 1.850 177.844 176.000 -0.009 0.000 0.970 314 Q CA 0.824 56.610 55.803 -0.028 0.000 0.865 314 Q CB 0.139 28.900 28.738 0.039 0.000 0.922 314 Q HN 0.521 nan 8.270 nan 0.000 0.445 315 E N 0.425 120.607 120.200 -0.031 0.000 2.489 315 E HA 0.012 4.363 4.350 0.001 0.000 0.193 315 E C 0.044 176.631 176.600 -0.022 0.000 1.057 315 E CA 0.320 56.712 56.400 -0.014 0.000 0.866 315 E CB 0.325 30.012 29.700 -0.021 0.000 0.916 315 E HN 0.451 nan 8.360 nan 0.000 0.500 316 Q N -0.178 119.565 119.800 -0.095 0.000 2.194 316 Q HA 0.545 4.885 4.340 0.001 0.000 0.245 316 Q C -0.340 175.576 176.000 -0.139 0.000 0.993 316 Q CA -0.739 54.952 55.803 -0.187 0.000 0.930 316 Q CB 1.341 29.866 28.738 -0.355 0.000 1.238 316 Q HN -0.004 nan 8.270 nan 0.000 0.486 317 F N -2.325 117.411 119.950 -0.355 0.000 2.662 317 F HA 0.635 5.163 4.527 0.001 0.000 0.312 317 F C -1.682 173.833 175.800 -0.474 0.000 1.113 317 F CA -1.296 56.501 58.000 -0.338 0.000 0.951 317 F CB 0.891 39.773 39.000 -0.196 0.000 1.344 317 F HN 0.356 nan 8.300 nan 0.000 0.462 318 Y N 0.360 120.669 120.300 0.016 0.000 2.487 318 Y HA 0.694 5.245 4.550 0.001 0.000 0.337 318 Y C 0.083 176.073 175.900 0.150 0.000 1.076 318 Y CA -1.042 57.034 58.100 -0.041 0.000 1.115 318 Y CB 2.085 40.480 38.460 -0.109 0.000 1.235 318 Y HN 0.808 nan 8.280 nan 0.000 0.468 319 S N 2.134 118.013 115.700 0.298 0.000 2.572 319 S HA 0.543 5.014 4.470 0.001 0.000 0.274 319 S C -1.620 173.078 174.600 0.164 0.000 1.150 319 S CA -0.686 57.662 58.200 0.247 0.000 0.944 319 S CB 0.459 63.843 63.200 0.307 0.000 1.071 319 S HN 0.463 nan 8.310 nan 0.000 0.479 320 I N 6.522 127.139 120.570 0.077 0.000 2.294 320 I HA 0.181 4.352 4.170 0.001 0.000 0.295 320 I C 1.333 177.507 176.117 0.096 0.000 1.098 320 I CA 0.064 61.375 61.300 0.019 0.000 1.277 320 I CB 0.192 38.173 38.000 -0.032 0.000 1.434 320 I HN 0.765 nan 8.210 nan 0.000 0.498 321 L N 4.901 126.155 121.223 0.051 0.000 2.056 321 L HA 0.009 4.350 4.340 0.001 0.000 0.207 321 L C 0.984 177.873 176.870 0.031 0.000 1.078 321 L CA 0.979 55.760 54.840 -0.098 0.000 0.749 321 L CB -0.141 41.515 42.059 -0.672 0.000 0.901 321 L HN 0.751 nan 8.230 nan 0.000 0.433 322 A N -1.162 121.740 122.820 0.137 0.000 2.594 322 A HA 0.779 5.100 4.320 0.001 0.000 0.296 322 A C -1.565 176.248 177.584 0.383 0.000 1.061 322 A CA 0.064 52.280 52.037 0.299 0.000 0.689 322 A CB 1.253 20.479 19.000 0.378 0.000 1.280 322 A HN 0.052 nan 8.150 nan 0.000 0.406 323 A N 1.770 124.812 122.820 0.371 0.000 2.547 323 A HA 0.844 5.165 4.320 0.001 0.000 0.297 323 A C -0.713 177.078 177.584 0.344 0.000 1.056 323 A CA -0.069 52.206 52.037 0.397 0.000 0.688 323 A CB 1.226 20.480 19.000 0.422 0.000 1.282 323 A HN 2.002 nan 8.150 nan 0.000 0.400 324 N N -0.126 118.776 118.700 0.335 0.000 3.513 324 N HA 0.351 5.092 4.740 0.001 0.000 0.351 324 N C -0.356 175.261 175.510 0.177 0.000 1.624 324 N CA -0.397 52.801 53.050 0.246 0.000 0.712 324 N CB 0.231 38.868 38.487 0.250 0.000 2.106 324 N HN 0.250 nan 8.380 nan 0.000 0.649 325 D N -0.986 119.484 120.400 0.117 0.000 2.347 325 D HA 0.012 4.653 4.640 0.001 0.000 0.215 325 D C -0.095 176.229 176.300 0.040 0.000 0.976 325 D CA 0.748 54.764 54.000 0.027 0.000 0.884 325 D CB 0.166 40.984 40.800 0.030 0.000 0.915 325 D HN 0.418 nan 8.370 nan 0.000 0.526 326 D N -0.216 120.264 120.400 0.134 0.000 2.490 326 D HA 0.086 4.726 4.640 0.001 0.000 0.244 326 D C 0.988 177.439 176.300 0.251 0.000 0.979 326 D CA 0.713 54.805 54.000 0.154 0.000 0.924 326 D CB 0.678 41.565 40.800 0.145 0.000 1.075 326 D HN 0.224 nan 8.370 nan 0.000 0.488 327 M N -1.010 118.773 119.600 0.305 0.000 3.008 327 M HA 0.460 4.941 4.480 0.001 0.000 0.271 327 M C -1.333 175.162 176.300 0.324 0.000 1.265 327 M CA -1.297 54.158 55.300 0.259 0.000 0.817 327 M CB 2.301 34.925 32.600 0.040 0.000 1.638 327 M HN -0.231 nan 8.290 nan 0.000 0.479 328 V N -1.439 118.577 119.914 0.171 0.000 2.876 328 V HA 0.785 4.906 4.120 0.001 0.000 0.312 328 V C -1.625 174.551 176.094 0.136 0.000 1.085 328 V CA -0.686 61.765 62.300 0.253 0.000 0.945 328 V CB 1.980 33.980 31.823 0.295 0.000 1.017 328 V HN 0.832 nan 8.190 nan 0.000 0.428 329 F N 4.120 124.119 119.950 0.082 0.000 2.404 329 F HA 0.755 5.282 4.527 0.001 0.000 0.354 329 F C 0.168 175.974 175.800 0.011 0.000 1.122 329 F CA -0.426 57.587 58.000 0.022 0.000 1.080 329 F CB 1.948 40.869 39.000 -0.132 0.000 1.131 329 F HN 0.574 nan 8.300 nan 0.000 0.471 330 M N 4.370 124.115 119.600 0.242 0.000 2.364 330 M HA 0.330 4.811 4.480 0.001 0.000 0.334 330 M C -1.288 175.154 176.300 0.238 0.000 1.107 330 M CA -0.535 54.855 55.300 0.150 0.000 0.988 330 M CB 0.891 33.498 32.600 0.012 0.000 1.673 330 M HN 0.553 nan 8.290 nan 0.000 0.441 331 H N 3.205 122.349 119.070 0.122 0.000 2.458 331 H HA 0.751 5.308 4.556 0.001 0.000 0.330 331 H C -1.711 173.632 175.328 0.025 0.000 1.111 331 H CA -0.632 55.498 56.048 0.136 0.000 1.245 331 H CB 1.072 30.974 29.762 0.234 0.000 1.456 331 H HN 0.506 nan 8.280 nan 0.000 0.488 332 V N 5.142 124.855 119.914 -0.336 0.000 2.378 332 V HA 0.098 4.218 4.120 0.001 0.000 0.288 332 V C -0.136 175.499 176.094 -0.766 0.000 1.016 332 V CA -1.000 61.034 62.300 -0.443 0.000 0.840 332 V CB 1.200 32.915 31.823 -0.180 0.000 0.994 332 V HN 0.891 nan 8.190 nan 0.000 0.431 333 D N 3.225 123.064 120.400 -0.934 0.000 2.455 333 D HA 0.085 4.725 4.640 0.001 0.000 0.241 333 D C 0.160 176.152 176.300 -0.513 0.000 1.138 333 D CA 0.243 53.753 54.000 -0.816 0.000 0.877 333 D CB 0.984 41.065 40.800 -1.198 0.000 1.187 333 D HN 0.653 nan 8.370 nan 0.000 0.451 334 E N 2.957 122.918 120.200 -0.399 0.000 2.373 334 E HA 0.255 4.606 4.350 0.001 0.000 0.267 334 E C -2.156 174.267 176.600 -0.294 0.000 1.032 334 E CA -1.615 54.600 56.400 -0.309 0.000 0.889 334 E CB 0.703 30.197 29.700 -0.344 0.000 0.984 334 E HN 0.276 nan 8.360 nan 0.000 0.425 335 P HA 0.162 nan 4.420 nan 0.000 0.271 335 P C -0.002 177.202 177.300 -0.161 0.000 1.216 335 P CA 0.326 63.323 63.100 -0.170 0.000 0.771 335 P CB 0.832 32.461 31.700 -0.117 0.000 0.864 336 G N 3.146 111.862 108.800 -0.140 0.000 2.173 336 G HA2 -0.170 3.790 3.960 0.001 0.000 0.174 336 G HA3 -0.170 3.790 3.960 0.001 0.000 0.174 336 G C -0.368 174.455 174.900 -0.128 0.000 1.025 336 G CA -0.119 44.914 45.100 -0.112 0.000 0.706 336 G HN 0.728 nan 8.290 nan 0.000 0.499 337 D N -0.466 119.850 120.400 -0.140 0.000 3.126 337 D HA -0.160 4.481 4.640 0.001 0.000 0.197 337 D C 1.139 177.347 176.300 -0.153 0.000 1.254 337 D CA 1.556 55.480 54.000 -0.127 0.000 0.785 337 D CB -1.902 38.869 40.800 -0.048 0.000 0.861 337 D HN 1.057 nan 8.370 nan 0.000 0.392 338 T N -2.608 111.761 114.554 -0.309 0.000 3.107 338 T HA 0.404 4.754 4.350 0.001 0.000 0.249 338 T C 1.793 176.338 174.700 -0.258 0.000 1.096 338 T CA 0.032 61.916 62.100 -0.360 0.000 1.012 338 T CB 0.272 68.648 68.868 -0.820 0.000 0.977 338 T HN 1.338 nan 8.240 nan 0.000 0.527 339 G N 1.755 110.450 108.800 -0.175 0.000 2.153 339 G HA2 -0.193 3.768 3.960 0.001 0.000 0.252 339 G HA3 -0.193 3.768 3.960 0.001 0.000 0.252 339 G C -0.109 174.839 174.900 0.080 0.000 0.994 339 G CA 0.493 45.588 45.100 -0.009 0.000 0.698 339 G HN 0.948 nan 8.290 nan 0.000 0.521 340 F N -2.454 117.516 119.950 0.032 0.000 2.664 340 F HA 0.916 5.443 4.527 0.001 0.000 0.317 340 F C 0.456 176.274 175.800 0.029 0.000 1.108 340 F CA -0.863 57.166 58.000 0.048 0.000 0.957 340 F CB 0.867 39.861 39.000 -0.010 0.000 1.365 340 F HN 0.610 nan 8.300 nan 0.000 0.475 341 G N -0.449 108.561 108.800 0.350 0.000 2.793 341 G HA2 0.615 4.576 3.960 0.001 0.000 0.248 341 G HA3 0.615 4.576 3.960 0.001 0.000 0.248 341 G C -1.627 173.236 174.900 -0.062 0.000 1.198 341 G CA -0.234 44.797 45.100 -0.114 0.000 0.865 341 G HN 1.168 nan 8.290 nan 0.000 0.534 342 T N -1.436 112.934 114.554 -0.306 0.000 2.912 342 T HA 0.709 5.059 4.350 0.001 0.000 0.299 342 T C -0.639 173.897 174.700 -0.274 0.000 1.052 342 T CA -0.530 61.419 62.100 -0.252 0.000 0.996 342 T CB 1.744 70.396 68.868 -0.361 0.000 1.070 342 T HN 0.484 nan 8.240 nan 0.000 0.465 343 I N 2.474 122.887 120.570 -0.261 0.000 2.385 343 I HA 0.494 4.664 4.170 0.001 0.000 0.294 343 I C -0.811 175.144 176.117 -0.270 0.000 0.988 343 I CA -0.814 60.411 61.300 -0.124 0.000 1.265 343 I CB 0.870 38.823 38.000 -0.078 0.000 1.388 343 I HN 0.562 nan 8.210 nan 0.000 0.480 344 F N 2.601 122.585 119.950 0.058 0.000 2.532 344 F HA 0.474 5.002 4.527 0.001 0.000 0.321 344 F C 0.393 176.250 175.800 0.095 0.000 1.089 344 F CA -0.658 57.398 58.000 0.093 0.000 0.926 344 F CB 2.300 41.359 39.000 0.098 0.000 1.168 344 F HN 0.345 nan 8.300 nan 0.000 0.459 345 T N -1.319 113.341 114.554 0.177 0.000 2.855 345 T HA 0.621 4.972 4.350 0.001 0.000 0.281 345 T C -0.252 174.348 174.700 -0.167 0.000 1.007 345 T CA -0.920 61.112 62.100 -0.113 0.000 1.009 345 T CB 1.460 70.103 68.868 -0.376 0.000 0.983 345 T HN 0.619 nan 8.240 nan 0.000 0.455 346 S N 1.812 117.273 115.700 -0.399 0.000 2.646 346 S HA 0.472 4.942 4.470 0.001 0.000 0.276 346 S C 0.078 174.413 174.600 -0.441 0.000 1.222 346 S CA -0.817 56.860 58.200 -0.872 0.000 1.014 346 S CB 0.576 63.219 63.200 -0.928 0.000 0.991 346 S HN 0.915 nan 8.310 nan 0.000 0.533 347 D N 0.377 120.537 120.400 -0.399 0.000 2.314 347 D HA -0.021 4.620 4.640 0.001 0.000 0.252 347 D C 0.765 176.996 176.300 -0.115 0.000 1.295 347 D CA -0.095 53.790 54.000 -0.192 0.000 0.995 347 D CB -0.010 40.707 40.800 -0.138 0.000 1.125 347 D HN 0.657 nan 8.370 nan 0.000 0.537 348 D N -1.401 118.997 120.400 -0.002 0.000 2.355 348 D HA -0.092 4.549 4.640 0.001 0.000 0.218 348 D C 1.357 177.789 176.300 0.219 0.000 1.004 348 D CA 0.244 54.318 54.000 0.123 0.000 0.880 348 D CB -0.164 40.690 40.800 0.091 0.000 0.911 348 D HN 0.347 nan 8.370 nan 0.000 0.528 349 R N -0.360 120.188 120.500 0.080 0.000 2.280 349 R HA 0.218 4.559 4.340 0.001 0.000 0.195 349 R C 1.376 177.649 176.300 -0.046 0.000 0.935 349 R CA 0.536 56.693 56.100 0.096 0.000 1.033 349 R CB 0.281 30.560 30.300 -0.034 0.000 0.964 349 R HN 0.252 nan 8.270 nan 0.000 0.489 350 G N 0.935 109.488 108.800 -0.413 0.000 2.153 350 G HA2 -0.271 3.690 3.960 0.001 0.000 0.252 350 G HA3 -0.271 3.690 3.960 0.001 0.000 0.252 350 G C 0.583 175.257 174.900 -0.377 0.000 0.994 350 G CA 0.452 45.041 45.100 -0.851 0.000 0.698 350 G HN 0.355 nan 8.290 nan 0.000 0.521 351 I N -1.178 119.195 120.570 -0.329 0.000 3.718 351 I HA 0.203 4.374 4.170 0.001 0.000 0.297 351 I C 0.717 176.725 176.117 -0.183 0.000 1.220 351 I CA 0.235 61.442 61.300 -0.155 0.000 1.381 351 I CB 0.757 38.598 38.000 -0.265 0.000 1.238 351 I HN 0.023 nan 8.210 nan 0.000 0.448 352 V N 1.311 121.030 119.914 -0.325 0.000 2.398 352 V HA 0.312 4.432 4.120 0.001 0.000 0.286 352 V C -1.189 174.717 176.094 -0.313 0.000 1.026 352 V CA -0.490 61.662 62.300 -0.246 0.000 0.868 352 V CB 1.067 32.816 31.823 -0.123 0.000 0.982 352 V HN 0.042 nan 8.190 nan 0.000 0.443 353 Y N 2.127 122.366 120.300 -0.101 0.000 2.446 353 Y HA 0.580 5.131 4.550 0.001 0.000 0.345 353 Y C 0.427 176.412 175.900 0.141 0.000 0.984 353 Y CA -0.322 57.777 58.100 -0.003 0.000 1.058 353 Y CB 2.325 40.732 38.460 -0.089 0.000 1.220 353 Y HN 0.560 nan 8.280 nan 0.000 0.455 354 S N 3.025 118.897 115.700 0.286 0.000 2.472 354 S HA 0.336 4.807 4.470 0.001 0.000 0.303 354 S C -0.854 173.908 174.600 0.269 0.000 1.099 354 S CA -0.945 57.399 58.200 0.241 0.000 1.077 354 S CB 0.718 63.980 63.200 0.103 0.000 1.031 354 S HN 0.629 nan 8.310 nan 0.000 0.487 355 K N 2.887 123.382 120.400 0.157 0.000 2.383 355 K HA 0.197 4.517 4.320 0.001 0.000 0.286 355 K C 0.630 177.176 176.600 -0.090 0.000 1.051 355 K CA -0.037 56.131 56.287 -0.199 0.000 0.974 355 K CB 0.592 32.971 32.500 -0.202 0.000 0.968 355 K HN 0.597 nan 8.250 nan 0.000 0.475 356 S N 3.957 119.590 115.700 -0.112 0.000 2.506 356 S HA 0.143 4.614 4.470 0.001 0.000 0.230 356 S C -0.420 174.211 174.600 0.051 0.000 1.066 356 S CA -0.174 58.090 58.200 0.107 0.000 0.940 356 S CB 0.152 63.505 63.200 0.255 0.000 0.818 356 S HN 0.564 nan 8.310 nan 0.000 0.518 357 L N 2.071 123.178 121.223 -0.193 0.000 2.562 357 L HA 0.522 4.862 4.340 0.001 0.000 0.266 357 L C -1.809 174.887 176.870 -0.290 0.000 0.949 357 L CA -0.353 54.263 54.840 -0.373 0.000 0.879 357 L CB 1.988 43.546 42.059 -0.836 0.000 1.278 357 L HN 0.004 nan 8.230 nan 0.000 0.404 358 D N 4.028 124.293 120.400 -0.225 0.000 2.253 358 D HA 0.449 5.090 4.640 0.001 0.000 0.249 358 D C -0.025 176.178 176.300 -0.161 0.000 1.049 358 D CA -0.172 53.727 54.000 -0.168 0.000 0.929 358 D CB 1.405 42.122 40.800 -0.138 0.000 1.176 358 D HN 0.551 nan 8.370 nan 0.000 0.437 359 R N 0.662 121.079 120.500 -0.140 0.000 3.423 359 R HA -0.201 4.140 4.340 0.001 0.000 0.271 359 R C 0.208 176.459 176.300 -0.081 0.000 1.093 359 R CA 0.312 56.217 56.100 -0.325 0.000 0.730 359 R CB -2.183 27.762 30.300 -0.592 0.000 1.190 359 R HN 0.557 nan 8.270 nan 0.000 0.437 360 H N 0.984 120.049 119.070 -0.008 0.000 2.848 360 H HA 0.206 4.763 4.556 0.001 0.000 0.317 360 H C 0.047 175.503 175.328 0.213 0.000 1.046 360 H CA -0.248 55.834 56.048 0.056 0.000 1.470 360 H CB 0.702 30.540 29.762 0.125 0.000 1.483 360 H HN 0.232 nan 8.280 nan 0.000 0.548 361 L N 7.249 128.316 121.223 -0.259 0.000 2.360 361 L HA 0.178 4.519 4.340 0.001 0.000 0.276 361 L C -1.592 175.076 176.870 -0.337 0.000 1.121 361 L CA -0.133 54.583 54.840 -0.206 0.000 0.845 361 L CB 0.010 41.919 42.059 -0.250 0.000 1.143 361 L HN 0.717 nan 8.230 nan 0.000 0.452 362 Y N 3.900 124.066 120.300 -0.224 0.000 2.287 362 Y HA 0.210 4.761 4.550 0.001 0.000 0.321 362 Y C -0.355 175.548 175.900 0.004 0.000 1.173 362 Y CA -1.031 56.949 58.100 -0.200 0.000 1.124 362 Y CB 1.281 39.481 38.460 -0.433 0.000 1.201 362 Y HN 0.737 nan 8.280 nan 0.000 0.421 363 T N 0.321 115.047 114.554 0.286 0.000 2.889 363 T HA 0.082 4.433 4.350 0.001 0.000 0.291 363 T C 1.092 175.905 174.700 0.188 0.000 0.995 363 T CA 0.181 62.396 62.100 0.191 0.000 1.092 363 T CB 1.776 70.744 68.868 0.167 0.000 0.954 363 T HN 0.745 nan 8.240 nan 0.000 0.506 364 T N 1.685 116.320 114.554 0.134 0.000 2.867 364 T HA -0.038 4.313 4.350 0.001 0.000 0.268 364 T C 0.973 175.680 174.700 0.013 0.000 1.057 364 T CA 0.992 63.129 62.100 0.062 0.000 1.136 364 T CB -0.790 68.122 68.868 0.074 0.000 0.874 364 T HN 0.738 nan 8.240 nan 0.000 0.466 365 T N 1.608 116.191 114.554 0.048 0.000 2.848 365 T HA 0.467 4.817 4.350 0.001 0.000 0.283 365 T C 1.249 175.974 174.700 0.041 0.000 0.919 365 T CA 0.403 62.526 62.100 0.039 0.000 1.071 365 T CB -0.216 68.684 68.868 0.053 0.000 0.912 365 T HN 0.653 nan 8.240 nan 0.000 0.570 366 G N 2.906 111.712 108.800 0.009 0.000 2.320 366 G HA2 -0.134 3.827 3.960 0.001 0.000 0.242 366 G HA3 -0.134 3.827 3.960 0.001 0.000 0.242 366 G C 0.770 175.681 174.900 0.018 0.000 1.033 366 G CA 0.024 45.131 45.100 0.012 0.000 0.620 366 G HN 1.760 nan 8.290 nan 0.000 0.517 367 G N -0.247 108.579 108.800 0.044 0.000 2.473 367 G HA2 0.072 4.032 3.960 0.001 0.000 0.289 367 G HA3 0.072 4.032 3.960 0.001 0.000 0.289 367 G C -0.349 174.628 174.900 0.129 0.000 1.084 367 G CA 0.706 45.887 45.100 0.134 0.000 1.215 367 G HN 0.912 nan 8.290 nan 0.000 0.527 368 E N -0.025 120.223 120.200 0.080 0.000 2.191 368 E HA 0.721 5.072 4.350 0.001 0.000 0.278 368 E C 0.214 176.680 176.600 -0.222 0.000 0.972 368 E CA -0.164 56.229 56.400 -0.010 0.000 0.804 368 E CB 2.064 31.855 29.700 0.150 0.000 1.110 368 E HN 0.365 nan 8.360 nan 0.000 0.394 369 T N 0.931 115.266 114.554 -0.366 0.000 2.900 369 T HA 0.260 4.610 4.350 0.001 0.000 0.303 369 T C -0.540 174.086 174.700 -0.124 0.000 1.142 369 T CA -0.634 61.188 62.100 -0.462 0.000 1.007 369 T CB 0.981 69.243 68.868 -1.011 0.000 1.156 369 T HN 0.101 nan 8.240 nan 0.000 0.490 370 D N 1.648 122.037 120.400 -0.018 0.000 2.340 370 D HA 0.165 4.806 4.640 0.001 0.000 0.217 370 D C 0.130 176.525 176.300 0.159 0.000 1.081 370 D CA -0.037 54.014 54.000 0.086 0.000 0.842 370 D CB -0.146 40.706 40.800 0.087 0.000 0.934 370 D HN 0.453 nan 8.370 nan 0.000 0.511 371 F N 1.951 121.952 119.950 0.086 0.000 2.590 371 F HA 0.057 4.585 4.527 0.001 0.000 0.389 371 F C 0.174 176.032 175.800 0.096 0.000 1.049 371 F CA 0.644 58.720 58.000 0.127 0.000 1.199 371 F CB 0.447 39.530 39.000 0.137 0.000 1.058 371 F HN -0.328 nan 8.300 nan 0.000 0.556 372 T N 6.069 120.383 114.554 -0.401 0.000 3.011 372 T HA 0.115 4.466 4.350 0.001 0.000 0.303 372 T C -0.863 173.621 174.700 -0.360 0.000 0.997 372 T CA -0.898 61.087 62.100 -0.193 0.000 1.007 372 T CB 0.875 69.701 68.868 -0.070 0.000 1.017 372 T HN 0.519 nan 8.240 nan 0.000 0.443 373 N N 2.645 121.221 118.700 -0.207 0.000 2.452 373 N HA 0.102 4.843 4.740 0.001 0.000 0.266 373 N C -0.261 175.076 175.510 -0.289 0.000 1.175 373 N CA -0.212 52.623 53.050 -0.358 0.000 0.945 373 N CB 0.691 39.103 38.487 -0.125 0.000 1.063 373 N HN 0.340 nan 8.380 nan 0.000 0.472 374 V N 4.244 123.935 119.914 -0.371 0.000 2.352 374 V HA 0.013 4.133 4.120 0.001 0.000 0.253 374 V C 1.750 177.730 176.094 -0.190 0.000 1.083 374 V CA 0.011 62.190 62.300 -0.202 0.000 0.993 374 V CB -0.351 31.373 31.823 -0.166 0.000 1.111 374 V HN 0.861 nan 8.190 nan 0.000 0.490 375 T N -0.130 114.359 114.554 -0.107 0.000 3.072 375 T HA -0.107 4.244 4.350 0.001 0.000 0.266 375 T C 1.583 176.254 174.700 -0.047 0.000 1.127 375 T CA 0.924 62.984 62.100 -0.067 0.000 1.107 375 T CB -0.118 68.742 68.868 -0.013 0.000 0.910 375 T HN 0.703 nan 8.240 nan 0.000 0.513 376 S N 0.091 115.751 115.700 -0.067 0.000 2.605 376 S HA 0.437 4.907 4.470 0.001 0.000 0.217 376 S C -0.021 174.524 174.600 -0.092 0.000 0.958 376 S CA -0.713 57.440 58.200 -0.078 0.000 0.919 376 S CB -0.326 62.811 63.200 -0.105 0.000 0.780 376 S HN 0.379 nan 8.310 nan 0.000 0.507 377 L N 1.672 122.863 121.223 -0.054 0.000 2.543 377 L HA 0.467 4.807 4.340 0.001 0.000 0.265 377 L C -0.422 176.488 176.870 0.067 0.000 0.945 377 L CA -0.690 54.147 54.840 -0.005 0.000 0.869 377 L CB 2.048 44.096 42.059 -0.019 0.000 1.294 377 L HN 0.261 nan 8.230 nan 0.000 0.405 378 R N 3.220 123.823 120.500 0.171 0.000 2.638 378 R HA 0.377 4.718 4.340 0.001 0.000 0.268 378 R C 1.095 177.537 176.300 0.237 0.000 1.006 378 R CA 1.588 57.806 56.100 0.196 0.000 1.088 378 R CB 0.294 30.733 30.300 0.231 0.000 0.950 378 R HN 1.121 nan 8.270 nan 0.000 0.419 379 G N 1.970 110.886 108.800 0.194 0.000 2.245 379 G HA2 -0.285 3.676 3.960 0.001 0.000 0.264 379 G HA3 -0.285 3.676 3.960 0.001 0.000 0.264 379 G C -0.108 174.911 174.900 0.198 0.000 0.985 379 G CA 0.295 45.548 45.100 0.255 0.000 0.625 379 G HN 0.539 nan 8.290 nan 0.000 0.536 380 V N 0.841 120.729 119.914 -0.044 0.000 2.439 380 V HA 0.710 4.830 4.120 0.001 0.000 0.282 380 V C -0.076 175.697 176.094 -0.535 0.000 1.039 380 V CA -0.455 61.749 62.300 -0.160 0.000 0.913 380 V CB 0.978 32.755 31.823 -0.076 0.000 0.983 380 V HN 0.287 nan 8.190 nan 0.000 0.460 381 Y N 3.916 124.028 120.300 -0.313 0.000 2.581 381 Y HA 0.731 5.281 4.550 0.001 0.000 0.345 381 Y C -0.184 175.546 175.900 -0.283 0.000 1.036 381 Y CA -0.841 57.034 58.100 -0.375 0.000 1.042 381 Y CB 2.214 40.373 38.460 -0.501 0.000 1.289 381 Y HN 0.398 nan 8.280 nan 0.000 0.471 382 I N 0.620 121.131 120.570 -0.098 0.000 2.730 382 I HA 0.614 4.785 4.170 0.001 0.000 0.298 382 I C -0.358 175.781 176.117 0.037 0.000 1.089 382 I CA -0.326 60.999 61.300 0.041 0.000 1.041 382 I CB 2.722 40.719 38.000 -0.004 0.000 1.235 382 I HN 0.698 nan 8.210 nan 0.000 0.423 383 T N 2.027 116.658 114.554 0.128 0.000 2.648 383 T HA 0.503 4.854 4.350 0.001 0.000 0.304 383 T C -1.455 173.299 174.700 0.090 0.000 1.312 383 T CA -0.350 61.822 62.100 0.120 0.000 1.023 383 T CB 1.697 70.695 68.868 0.216 0.000 1.612 383 T HN 0.492 nan 8.240 nan 0.000 0.487 384 S N 0.427 116.192 115.700 0.109 0.000 2.537 384 S HA 0.817 5.287 4.470 0.001 0.000 0.301 384 S C -0.624 173.994 174.600 0.030 0.000 1.092 384 S CA -0.598 57.630 58.200 0.047 0.000 1.048 384 S CB 1.450 64.655 63.200 0.009 0.000 1.053 384 S HN 0.909 nan 8.310 nan 0.000 0.501 385 V N 0.227 120.131 119.914 -0.017 0.000 3.078 385 V HA 0.730 4.851 4.120 0.001 0.000 0.311 385 V C -1.327 174.713 176.094 -0.090 0.000 1.138 385 V CA -1.134 61.130 62.300 -0.061 0.000 1.007 385 V CB 1.362 33.124 31.823 -0.101 0.000 1.045 385 V HN 0.611 nan 8.190 nan 0.000 0.432 386 L N 2.635 123.766 121.223 -0.153 0.000 2.292 386 L HA 0.617 4.958 4.340 0.001 0.000 0.284 386 L C 0.832 177.598 176.870 -0.172 0.000 1.065 386 L CA 0.706 55.447 54.840 -0.166 0.000 0.806 386 L CB 1.541 43.462 42.059 -0.229 0.000 1.175 386 L HN 1.009 nan 8.230 nan 0.000 0.431 387 S N 1.202 116.838 115.700 -0.107 0.000 2.608 387 S HA 0.101 4.572 4.470 0.001 0.000 0.261 387 S C 1.202 175.740 174.600 -0.105 0.000 1.314 387 S CA -0.409 57.740 58.200 -0.085 0.000 0.992 387 S CB 0.586 63.761 63.200 -0.042 0.000 0.935 387 S HN 0.682 nan 8.310 nan 0.000 0.564 388 E N 1.029 121.180 120.200 -0.080 0.000 2.333 388 E HA -0.141 4.210 4.350 0.001 0.000 0.198 388 E C 0.901 177.475 176.600 -0.043 0.000 1.007 388 E CA 1.214 57.572 56.400 -0.070 0.000 0.845 388 E CB -0.341 29.329 29.700 -0.048 0.000 0.766 388 E HN 0.784 nan 8.360 nan 0.000 0.507 389 D N -1.462 118.917 120.400 -0.035 0.000 2.328 389 D HA 0.011 4.652 4.640 0.001 0.000 0.221 389 D C -0.032 176.256 176.300 -0.019 0.000 1.072 389 D CA -0.080 53.908 54.000 -0.021 0.000 0.850 389 D CB -0.126 40.663 40.800 -0.017 0.000 0.922 389 D HN -0.042 nan 8.370 nan 0.000 0.516 390 N N -0.988 117.692 118.700 -0.033 0.000 2.850 390 N HA -0.207 4.534 4.740 0.001 0.000 0.249 390 N C -0.652 174.845 175.510 -0.022 0.000 1.060 390 N CA 0.977 54.013 53.050 -0.023 0.000 0.825 390 N CB -1.411 37.082 38.487 0.009 0.000 1.132 390 N HN 0.465 nan 8.380 nan 0.000 0.564 391 S N -0.096 115.583 115.700 -0.034 0.000 2.617 391 S HA 0.627 5.098 4.470 0.001 0.000 0.269 391 S C 0.227 174.790 174.600 -0.061 0.000 1.292 391 S CA -0.707 57.467 58.200 -0.044 0.000 1.010 391 S CB 1.448 64.614 63.200 -0.058 0.000 0.944 391 S HN 0.244 nan 8.310 nan 0.000 0.536 392 I N 1.552 122.080 120.570 -0.070 0.000 2.354 392 I HA 0.382 4.553 4.170 0.001 0.000 0.292 392 I C -0.207 175.849 176.117 -0.102 0.000 0.989 392 I CA -0.546 60.712 61.300 -0.069 0.000 1.188 392 I CB 1.531 39.508 38.000 -0.038 0.000 1.342 392 I HN 0.587 nan 8.210 nan 0.000 0.457 393 Q N 3.379 123.164 119.800 -0.024 0.000 2.348 393 Q HA 0.494 4.834 4.340 0.001 0.000 0.271 393 Q C -0.746 175.376 176.000 0.203 0.000 1.067 393 Q CA -0.579 55.289 55.803 0.109 0.000 0.839 393 Q CB 2.394 31.275 28.738 0.238 0.000 1.354 393 Q HN 0.531 nan 8.270 nan 0.000 0.447 394 T N 2.724 117.511 114.554 0.388 0.000 2.845 394 T HA 0.572 4.923 4.350 0.001 0.000 0.288 394 T C -0.323 174.437 174.700 0.100 0.000 0.980 394 T CA -0.414 61.777 62.100 0.153 0.000 1.071 394 T CB 0.326 69.217 68.868 0.039 0.000 0.941 394 T HN 0.311 nan 8.240 nan 0.000 0.487 395 M N 3.196 122.838 119.600 0.070 0.000 2.591 395 M HA 0.613 5.094 4.480 0.001 0.000 0.306 395 M C -0.745 175.684 176.300 0.215 0.000 1.190 395 M CA -0.851 54.508 55.300 0.098 0.000 0.889 395 M CB 2.455 35.094 32.600 0.066 0.000 1.728 395 M HN 0.592 nan 8.290 nan 0.000 0.458 396 I N 0.245 120.904 120.570 0.148 0.000 2.769 396 I HA 0.600 4.771 4.170 0.001 0.000 0.298 396 I C -1.075 174.801 176.117 -0.402 0.000 1.128 396 I CA -0.113 61.126 61.300 -0.102 0.000 1.031 396 I CB 2.528 40.334 38.000 -0.323 0.000 1.235 396 I HN 0.743 nan 8.210 nan 0.000 0.423 397 T N 4.621 118.696 114.554 -0.798 0.000 2.876 397 T HA 0.531 4.882 4.350 0.001 0.000 0.289 397 T C -0.278 173.946 174.700 -0.793 0.000 1.014 397 T CA -0.198 61.331 62.100 -0.952 0.000 0.986 397 T CB 0.923 68.889 68.868 -1.503 0.000 1.021 397 T HN 0.462 nan 8.240 nan 0.000 0.458 398 F N 1.400 121.242 119.950 -0.179 0.000 2.724 398 F HA 0.282 4.810 4.527 0.001 0.000 0.306 398 F C 1.215 176.988 175.800 -0.044 0.000 1.100 398 F CA -0.551 57.424 58.000 -0.042 0.000 1.255 398 F CB 0.541 39.550 39.000 0.016 0.000 1.072 398 F HN 0.556 nan 8.300 nan 0.000 0.589 399 D N 0.220 120.636 120.400 0.027 0.000 3.068 399 D HA 0.078 4.718 4.640 0.001 0.000 0.327 399 D C 0.436 176.734 176.300 -0.004 0.000 1.361 399 D CA -0.336 53.657 54.000 -0.012 0.000 0.877 399 D CB -0.124 40.653 40.800 -0.038 0.000 1.088 399 D HN 0.314 nan 8.370 nan 0.000 0.489 400 Q N 0.330 120.196 119.800 0.109 0.000 2.481 400 Q HA -0.245 4.096 4.340 0.001 0.000 0.272 400 Q C 0.826 176.808 176.000 -0.030 0.000 1.157 400 Q CA 1.002 56.910 55.803 0.176 0.000 0.935 400 Q CB -1.606 27.218 28.738 0.143 0.000 1.338 400 Q HN 0.968 nan 8.270 nan 0.000 0.494 401 G N -3.320 105.375 108.800 -0.176 0.000 2.141 401 G HA2 -0.273 3.688 3.960 0.001 0.000 0.231 401 G HA3 -0.273 3.688 3.960 0.001 0.000 0.231 401 G C 0.467 175.301 174.900 -0.112 0.000 0.984 401 G CA 0.451 45.430 45.100 -0.201 0.000 0.660 401 G HN 0.911 nan 8.290 nan 0.000 0.525 402 G N -0.338 108.391 108.800 -0.119 0.000 2.421 402 G HA2 0.282 4.243 3.960 0.001 0.000 0.217 402 G HA3 0.282 4.243 3.960 0.001 0.000 0.217 402 G C 0.754 175.646 174.900 -0.013 0.000 1.143 402 G CA 1.246 46.323 45.100 -0.038 0.000 0.784 402 G HN 0.845 nan 8.290 nan 0.000 0.541 403 R N -1.561 118.880 120.500 -0.098 0.000 2.651 403 R HA 0.473 4.814 4.340 0.001 0.000 0.278 403 R C -2.186 174.026 176.300 -0.148 0.000 1.010 403 R CA -0.959 55.132 56.100 -0.015 0.000 0.896 403 R CB 1.374 31.691 30.300 0.029 0.000 1.211 403 R HN 0.087 nan 8.270 nan 0.000 0.456 404 W N 1.387 122.683 121.300 -0.007 0.000 2.819 404 W HA 0.569 5.229 4.660 0.001 0.000 0.337 404 W C -0.158 176.314 176.519 -0.078 0.000 1.077 404 W CA -0.529 56.783 57.345 -0.055 0.000 1.226 404 W CB 2.589 32.011 29.460 -0.064 0.000 1.419 404 W HN 0.487 nan 8.180 nan 0.000 0.502 405 T N 0.634 115.260 114.554 0.121 0.000 2.812 405 T HA 0.358 4.709 4.350 0.001 0.000 0.294 405 T C -0.796 173.875 174.700 -0.047 0.000 1.159 405 T CA -0.624 61.491 62.100 0.024 0.000 1.008 405 T CB 0.694 69.641 68.868 0.132 0.000 1.289 405 T HN 0.302 nan 8.240 nan 0.000 0.514 406 H N 1.240 120.359 119.070 0.083 0.000 2.690 406 H HA 0.322 4.878 4.556 0.001 0.000 0.365 406 H C -0.107 175.224 175.328 0.005 0.000 1.142 406 H CA -0.090 55.966 56.048 0.014 0.000 1.417 406 H CB 0.501 30.262 29.762 -0.000 0.000 1.446 406 H HN 0.253 nan 8.280 nan 0.000 0.599 407 L N 1.844 123.088 121.223 0.035 0.000 2.349 407 L HA 0.140 4.480 4.340 0.001 0.000 0.275 407 L C 1.133 178.010 176.870 0.012 0.000 1.115 407 L CA 0.121 54.972 54.840 0.018 0.000 0.820 407 L CB 0.308 42.251 42.059 -0.193 0.000 1.135 407 L HN 0.445 nan 8.230 nan 0.000 0.445 408 R N 3.439 124.036 120.500 0.161 0.000 2.489 408 R HA 0.098 4.439 4.340 0.001 0.000 0.287 408 R C 0.067 176.409 176.300 0.071 0.000 1.053 408 R CA -0.449 55.735 56.100 0.139 0.000 1.036 408 R CB 0.394 30.820 30.300 0.209 0.000 0.966 408 R HN 0.601 nan 8.270 nan 0.000 0.432 409 K N 5.521 125.926 120.400 0.007 0.000 2.436 409 K HA 0.102 4.422 4.320 0.001 0.000 0.275 409 K C -2.162 174.471 176.600 0.055 0.000 0.999 409 K CA -1.178 55.091 56.287 -0.030 0.000 0.980 409 K CB 0.539 33.028 32.500 -0.018 0.000 0.919 409 K HN 0.393 nan 8.250 nan 0.000 0.484 410 P HA -0.045 nan 4.420 nan 0.000 0.265 410 P C -0.004 177.364 177.300 0.114 0.000 1.193 410 P CA -0.042 63.151 63.100 0.155 0.000 0.765 410 P CB 0.737 32.573 31.700 0.228 0.000 0.823 411 E N 2.059 122.324 120.200 0.108 0.000 2.097 411 E HA -0.209 4.141 4.350 0.001 0.000 0.196 411 E C 0.632 177.276 176.600 0.072 0.000 1.000 411 E CA 1.521 57.968 56.400 0.079 0.000 0.804 411 E CB -0.354 29.387 29.700 0.069 0.000 0.740 411 E HN 0.459 nan 8.360 nan 0.000 0.454 412 N N 0.594 119.345 118.700 0.084 0.000 2.295 412 N HA 0.062 4.803 4.740 0.001 0.000 0.221 412 N C -0.438 175.123 175.510 0.085 0.000 1.129 412 N CA 0.071 53.165 53.050 0.074 0.000 0.836 412 N CB 0.649 39.175 38.487 0.066 0.000 1.040 412 N HN -0.111 nan 8.380 nan 0.000 0.494 413 S N 0.642 116.401 115.700 0.099 0.000 2.617 413 S HA 0.335 4.806 4.470 0.001 0.000 0.283 413 S C -0.128 174.515 174.600 0.071 0.000 1.189 413 S CA -0.533 57.732 58.200 0.108 0.000 1.036 413 S CB 1.344 64.627 63.200 0.140 0.000 1.014 413 S HN 0.125 nan 8.310 nan 0.000 0.522 414 E N 0.843 121.085 120.200 0.069 0.000 2.175 414 E HA 0.343 4.694 4.350 0.001 0.000 0.278 414 E C -0.877 175.750 176.600 0.046 0.000 0.969 414 E CA -0.493 55.937 56.400 0.050 0.000 0.796 414 E CB 0.585 30.314 29.700 0.048 0.000 1.104 414 E HN 0.442 nan 8.360 nan 0.000 0.395 415 c N 3.849 122.468 118.600 0.031 0.000 2.648 415 c HA 0.123 4.693 4.570 0.001 0.000 0.419 415 c C 0.827 174.933 174.090 0.028 0.000 1.352 415 c CA -0.629 55.714 56.329 0.024 0.000 1.816 415 c CB -1.135 41.384 42.510 0.014 0.000 2.598 415 c HN 0.831 nan 8.230 nan 0.000 0.598 416 D N 2.638 123.057 120.400 0.031 0.000 2.376 416 D HA 0.279 4.919 4.640 0.001 0.000 0.268 416 D C 1.046 177.358 176.300 0.019 0.000 1.252 416 D CA -0.050 53.969 54.000 0.032 0.000 1.041 416 D CB 0.310 41.135 40.800 0.043 0.000 1.109 416 D HN 0.450 nan 8.370 nan 0.000 0.552 417 A N -1.170 121.661 122.820 0.018 0.000 2.119 417 A HA -0.034 4.286 4.320 0.001 0.000 0.217 417 A C 1.966 179.550 177.584 0.001 0.000 1.153 417 A CA 1.790 53.834 52.037 0.011 0.000 0.692 417 A CB -1.321 17.687 19.000 0.013 0.000 0.799 417 A HN 0.718 nan 8.150 nan 0.000 0.458 418 T N -2.565 111.985 114.554 -0.006 0.000 3.118 418 T HA 0.392 4.743 4.350 0.001 0.000 0.260 418 T C 0.748 175.433 174.700 -0.025 0.000 1.139 418 T CA 0.563 62.648 62.100 -0.024 0.000 1.085 418 T CB -0.434 68.402 68.868 -0.053 0.000 0.934 418 T HN 0.580 nan 8.240 nan 0.000 0.518 419 A N 1.436 124.249 122.820 -0.012 0.000 2.309 419 A HA 0.478 4.798 4.320 0.001 0.000 0.290 419 A C 1.409 178.988 177.584 -0.009 0.000 1.206 419 A CA -0.642 51.389 52.037 -0.010 0.000 0.850 419 A CB 0.570 19.569 19.000 -0.001 0.000 1.118 419 A HN 0.424 nan 8.150 nan 0.000 0.523 420 K N 2.345 122.738 120.400 -0.013 0.000 2.057 420 K HA -0.141 4.179 4.320 0.001 0.000 0.207 420 K C 0.275 176.873 176.600 -0.004 0.000 1.049 420 K CA 1.328 57.610 56.287 -0.008 0.000 0.931 420 K CB 0.032 32.525 32.500 -0.011 0.000 0.714 420 K HN 0.705 nan 8.250 nan 0.000 0.440 421 N N 0.671 119.368 118.700 -0.004 0.000 2.407 421 N HA 0.045 4.786 4.740 0.001 0.000 0.277 421 N C -0.356 175.155 175.510 0.002 0.000 0.995 421 N CA -0.161 52.889 53.050 -0.000 0.000 0.903 421 N CB 1.893 40.380 38.487 -0.001 0.000 1.218 421 N HN -0.055 nan 8.380 nan 0.000 0.487 422 K N 2.378 122.782 120.400 0.006 0.000 2.555 422 K HA 0.174 4.495 4.320 0.001 0.000 0.193 422 K C 0.058 176.665 176.600 0.012 0.000 1.032 422 K CA 1.042 57.335 56.287 0.010 0.000 1.004 422 K CB 0.129 32.635 32.500 0.011 0.000 0.804 422 K HN 0.451 nan 8.250 nan 0.000 0.496 423 N N 0.588 119.294 118.700 0.010 0.000 2.177 423 N HA -0.004 4.737 4.740 0.001 0.000 0.218 423 N C -0.988 174.528 175.510 0.011 0.000 1.182 423 N CA 0.058 53.116 53.050 0.013 0.000 0.882 423 N CB 0.948 39.444 38.487 0.014 0.000 1.052 423 N HN 0.201 nan 8.380 nan 0.000 0.519 424 E N 1.584 121.787 120.200 0.005 0.000 2.334 424 E HA 0.302 4.653 4.350 0.001 0.000 0.280 424 E C -1.080 175.512 176.600 -0.013 0.000 0.899 424 E CA -0.489 55.911 56.400 -0.001 0.000 0.813 424 E CB 0.913 30.614 29.700 0.001 0.000 1.318 424 E HN 0.202 nan 8.360 nan 0.000 0.399 425 c N 1.369 119.956 118.600 -0.022 0.000 3.254 425 c HA 0.928 5.499 4.570 0.001 0.000 0.374 425 c C -0.681 173.367 174.090 -0.069 0.000 1.710 425 c CA -0.148 56.158 56.329 -0.038 0.000 1.149 425 c CB 1.149 43.651 42.510 -0.013 0.000 2.019 425 c HN 0.797 nan 8.230 nan 0.000 0.427 426 S N -0.105 115.533 115.700 -0.103 0.000 2.638 426 S HA 0.742 5.213 4.470 0.001 0.000 0.274 426 S C -1.448 172.933 174.600 -0.366 0.000 1.157 426 S CA -0.565 57.504 58.200 -0.218 0.000 0.826 426 S CB 1.279 64.317 63.200 -0.270 0.000 1.139 426 S HN 1.931 nan 8.310 nan 0.000 0.474 427 L N 2.292 123.222 121.223 -0.488 0.000 2.292 427 L HA 0.565 4.906 4.340 0.001 0.000 0.284 427 L C -0.725 175.660 176.870 -0.808 0.000 1.065 427 L CA 0.322 54.789 54.840 -0.623 0.000 0.806 427 L CB 0.279 41.882 42.059 -0.760 0.000 1.175 427 L HN 0.807 nan 8.230 nan 0.000 0.431 428 H N 5.490 124.348 119.070 -0.354 0.000 2.679 428 H HA 0.533 5.089 4.556 0.001 0.000 0.367 428 H C -0.875 174.234 175.328 -0.364 0.000 1.162 428 H CA -0.764 55.111 56.048 -0.289 0.000 1.181 428 H CB 2.258 31.888 29.762 -0.220 0.000 1.693 428 H HN 0.392 nan 8.280 nan 0.000 0.538 429 I N 2.398 122.854 120.570 -0.190 0.000 2.433 429 I HA 0.125 4.295 4.170 0.001 0.000 0.292 429 I C 0.331 176.374 176.117 -0.123 0.000 1.001 429 I CA -0.576 60.620 61.300 -0.174 0.000 1.119 429 I CB 1.374 39.298 38.000 -0.127 0.000 1.289 429 I HN 0.442 nan 8.210 nan 0.000 0.438 430 H N 4.715 123.844 119.070 0.098 0.000 2.620 430 H HA 0.658 5.214 4.556 0.001 0.000 0.313 430 H C 0.030 175.425 175.328 0.112 0.000 1.075 430 H CA -0.064 56.047 56.048 0.105 0.000 1.397 430 H CB 1.754 31.579 29.762 0.104 0.000 1.446 430 H HN 0.809 nan 8.280 nan 0.000 0.493 431 A N 1.999 124.948 122.820 0.215 0.000 4.238 431 A HA 0.298 4.618 4.320 0.001 0.000 0.196 431 A C 1.481 179.142 177.584 0.128 0.000 0.732 431 A CA -0.031 52.102 52.037 0.161 0.000 0.721 431 A CB -0.040 19.040 19.000 0.132 0.000 1.642 431 A HN 0.538 nan 8.150 nan 0.000 0.861 432 S N -1.004 114.760 115.700 0.108 0.000 2.365 432 S HA -0.208 4.263 4.470 0.001 0.000 0.225 432 S C 1.746 176.404 174.600 0.096 0.000 1.039 432 S CA 2.388 60.637 58.200 0.082 0.000 1.033 432 S CB -0.616 62.623 63.200 0.065 0.000 0.887 432 S HN 0.607 nan 8.310 nan 0.000 0.447 433 Y N 2.209 122.517 120.300 0.014 0.000 2.163 433 Y HA -0.124 4.427 4.550 0.001 0.000 0.288 433 Y C 2.637 178.558 175.900 0.035 0.000 1.136 433 Y CA 1.343 59.451 58.100 0.014 0.000 1.147 433 Y CB -0.779 37.685 38.460 0.008 0.000 0.987 433 Y HN 0.148 nan 8.280 nan 0.000 0.509 434 S N 0.575 116.308 115.700 0.054 0.000 2.372 434 S HA -0.257 4.214 4.470 0.001 0.000 0.227 434 S C 2.040 176.569 174.600 -0.118 0.000 1.044 434 S CA 2.005 60.203 58.200 -0.004 0.000 1.050 434 S CB -0.627 62.712 63.200 0.232 0.000 0.901 434 S HN 0.508 nan 8.310 nan 0.000 0.447 435 I N 1.558 122.081 120.570 -0.077 0.000 2.179 435 I HA -0.190 3.981 4.170 0.001 0.000 0.242 435 I C 2.683 178.729 176.117 -0.119 0.000 1.088 435 I CA 1.440 62.682 61.300 -0.096 0.000 1.357 435 I CB -0.544 37.425 38.000 -0.051 0.000 1.051 435 I HN 0.387 nan 8.210 nan 0.000 0.409 436 S N 0.310 115.926 115.700 -0.139 0.000 2.419 436 S HA -0.189 4.282 4.470 0.001 0.000 0.233 436 S C 1.787 176.259 174.600 -0.213 0.000 1.016 436 S CA 0.862 58.972 58.200 -0.150 0.000 0.974 436 S CB -0.271 62.853 63.200 -0.126 0.000 0.786 436 S HN 0.414 nan 8.310 nan 0.000 0.492 437 Q N 0.908 120.510 119.800 -0.331 0.000 2.415 437 Q HA 0.199 4.539 4.340 0.001 0.000 0.206 437 Q C -0.070 175.834 176.000 -0.160 0.000 0.946 437 Q CA 0.187 55.818 55.803 -0.287 0.000 0.951 437 Q CB -0.128 28.360 28.738 -0.415 0.000 1.026 437 Q HN 0.557 nan 8.270 nan 0.000 0.510 438 K N -0.146 120.174 120.400 -0.133 0.000 3.192 438 K HA -0.175 4.146 4.320 0.001 0.000 0.278 438 K C -0.036 176.509 176.600 -0.092 0.000 1.164 438 K CA 0.351 56.584 56.287 -0.090 0.000 0.816 438 K CB -2.441 30.023 32.500 -0.060 0.000 1.256 438 K HN 0.308 nan 8.250 nan 0.000 0.497 439 L N 0.590 121.738 121.223 -0.124 0.000 2.472 439 L HA 0.136 4.477 4.340 0.001 0.000 0.260 439 L C 1.399 178.175 176.870 -0.157 0.000 1.209 439 L CA -0.382 54.372 54.840 -0.143 0.000 0.817 439 L CB 0.156 42.095 42.059 -0.200 0.000 1.106 439 L HN 0.031 nan 8.230 nan 0.000 0.479 440 N N 1.435 120.044 118.700 -0.152 0.000 3.103 440 N HA 0.106 4.846 4.740 0.001 0.000 0.305 440 N C -1.256 174.105 175.510 -0.250 0.000 1.232 440 N CA 0.067 53.052 53.050 -0.108 0.000 1.190 440 N CB -0.199 38.271 38.487 -0.029 0.000 1.461 440 N HN 0.235 nan 8.380 nan 0.000 0.538 441 V N 4.057 123.764 119.914 -0.344 0.000 2.357 441 V HA 0.253 4.374 4.120 0.001 0.000 0.281 441 V C -1.533 174.245 176.094 -0.527 0.000 1.015 441 V CA -1.193 60.790 62.300 -0.527 0.000 0.827 441 V CB 1.904 33.493 31.823 -0.389 0.000 1.018 441 V HN 0.248 nan 8.190 nan 0.000 0.432 442 P HA 0.039 nan 4.420 nan 0.000 0.217 442 P C 0.309 177.305 177.300 -0.506 0.000 1.150 442 P CA 1.258 63.839 63.100 -0.866 0.000 0.832 442 P CB 0.344 31.212 31.700 -1.387 0.000 0.787 443 M N -2.067 117.329 119.600 -0.340 0.000 2.531 443 M HA 0.548 5.029 4.480 0.001 0.000 0.286 443 M C -0.627 175.738 176.300 0.109 0.000 1.232 443 M CA -1.119 54.112 55.300 -0.116 0.000 0.877 443 M CB 2.817 35.225 32.600 -0.319 0.000 1.726 443 M HN -0.254 nan 8.290 nan 0.000 0.463 444 A N 1.801 124.704 122.820 0.138 0.000 2.249 444 A HA 0.769 5.089 4.320 0.001 0.000 0.281 444 A C -2.604 175.178 177.584 0.329 0.000 1.127 444 A CA -1.240 50.925 52.037 0.212 0.000 0.833 444 A CB -0.587 18.502 19.000 0.147 0.000 1.140 444 A HN 0.456 nan 8.150 nan 0.000 0.502 445 P HA 0.323 nan 4.420 nan 0.000 0.268 445 P C -1.039 176.415 177.300 0.255 0.000 1.205 445 P CA 0.102 63.363 63.100 0.268 0.000 0.771 445 P CB 0.418 32.226 31.700 0.180 0.000 0.858 446 L N 3.150 124.521 121.223 0.247 0.000 2.362 446 L HA 0.709 5.050 4.340 0.001 0.000 0.275 446 L C -0.567 176.363 176.870 0.099 0.000 0.998 446 L CA -0.027 54.939 54.840 0.211 0.000 0.820 446 L CB 1.502 43.753 42.059 0.320 0.000 1.270 446 L HN 0.535 nan 8.230 nan 0.000 0.415 447 S N 2.804 118.544 115.700 0.068 0.000 2.607 447 S HA 0.860 5.330 4.470 0.001 0.000 0.273 447 S C -1.412 173.199 174.600 0.018 0.000 1.148 447 S CA -0.953 57.255 58.200 0.014 0.000 0.833 447 S CB 2.254 65.445 63.200 -0.014 0.000 1.130 447 S HN 0.584 nan 8.310 nan 0.000 0.470 448 E N 0.286 120.484 120.200 -0.003 0.000 2.304 448 E HA 0.345 4.696 4.350 0.001 0.000 0.277 448 E C -2.494 174.109 176.600 0.004 0.000 0.898 448 E CA -1.947 54.461 56.400 0.012 0.000 0.764 448 E CB 2.111 31.821 29.700 0.017 0.000 1.216 448 E HN 0.263 nan 8.360 nan 0.000 0.419 449 P HA -0.198 nan 4.420 nan 0.000 0.216 449 P C 0.909 178.236 177.300 0.044 0.000 1.150 449 P CA 1.476 64.595 63.100 0.032 0.000 0.843 449 P CB 0.264 31.995 31.700 0.052 0.000 0.787 450 N N -0.679 118.059 118.700 0.064 0.000 2.463 450 N HA 0.016 4.757 4.740 0.001 0.000 0.181 450 N C 0.436 176.021 175.510 0.126 0.000 1.078 450 N CA 0.358 53.484 53.050 0.127 0.000 0.902 450 N CB -0.310 38.275 38.487 0.163 0.000 0.970 450 N HN -0.032 nan 8.380 nan 0.000 0.451 451 A N 1.835 124.667 122.820 0.021 0.000 2.736 451 A HA 0.421 4.742 4.320 0.001 0.000 0.335 451 A C -0.063 177.446 177.584 -0.124 0.000 1.446 451 A CA -0.671 51.336 52.037 -0.050 0.000 1.028 451 A CB 0.069 19.025 19.000 -0.073 0.000 1.154 451 A HN 0.121 nan 8.150 nan 0.000 0.507 452 V N 3.132 122.946 119.914 -0.166 0.000 2.811 452 V HA 0.510 4.630 4.120 0.001 0.000 0.302 452 V C 1.365 177.216 176.094 -0.405 0.000 1.063 452 V CA 1.568 63.686 62.300 -0.304 0.000 1.088 452 V CB 0.825 32.344 31.823 -0.507 0.000 0.982 452 V HN 2.052 nan 8.190 nan 0.000 0.485 453 G N 5.497 114.082 108.800 -0.358 0.000 2.302 453 G HA2 -0.222 3.739 3.960 0.001 0.000 0.263 453 G HA3 -0.222 3.739 3.960 0.001 0.000 0.263 453 G C 0.168 174.889 174.900 -0.297 0.000 0.995 453 G CA 0.403 45.295 45.100 -0.346 0.000 0.622 453 G HN 0.770 nan 8.290 nan 0.000 0.538 454 I N 1.401 121.814 120.570 -0.261 0.000 2.441 454 I HA 0.524 4.695 4.170 0.001 0.000 0.287 454 I C 0.493 176.504 176.117 -0.176 0.000 1.049 454 I CA -0.637 60.525 61.300 -0.229 0.000 1.381 454 I CB 1.101 38.988 38.000 -0.189 0.000 1.409 454 I HN -0.018 nan 8.210 nan 0.000 0.523 455 V N 7.494 127.290 119.914 -0.197 0.000 2.733 455 V HA 0.538 4.659 4.120 0.001 0.000 0.306 455 V C -0.217 175.861 176.094 -0.027 0.000 1.084 455 V CA -0.600 61.646 62.300 -0.089 0.000 0.905 455 V CB 2.564 34.343 31.823 -0.073 0.000 1.010 455 V HN 0.440 nan 8.190 nan 0.000 0.424 456 I N 3.056 123.608 120.570 -0.031 0.000 2.509 456 I HA 0.952 5.122 4.170 0.001 0.000 0.293 456 I C -0.005 176.003 176.117 -0.182 0.000 1.020 456 I CA -0.661 60.528 61.300 -0.184 0.000 1.088 456 I CB 2.101 39.749 38.000 -0.587 0.000 1.267 456 I HN 0.817 nan 8.210 nan 0.000 0.430 457 A N 3.512 126.273 122.820 -0.098 0.000 2.605 457 A HA 0.642 4.963 4.320 0.001 0.000 0.294 457 A C -1.538 176.094 177.584 0.079 0.000 1.062 457 A CA -0.652 51.434 52.037 0.081 0.000 0.682 457 A CB 0.898 19.986 19.000 0.148 0.000 1.278 457 A HN 0.764 nan 8.150 nan 0.000 0.410 458 H N -0.246 119.008 119.070 0.306 0.000 2.652 458 H HA 0.561 5.118 4.556 0.001 0.000 0.349 458 H C 0.852 176.379 175.328 0.331 0.000 1.099 458 H CA 1.617 57.865 56.048 0.334 0.000 1.417 458 H CB 1.414 31.360 29.762 0.308 0.000 1.457 458 H HN 1.050 nan 8.280 nan 0.000 0.568 459 G N -0.118 108.990 108.800 0.513 0.000 2.687 459 G HA2 0.528 4.489 3.960 0.001 0.000 0.291 459 G HA3 0.528 4.489 3.960 0.001 0.000 0.291 459 G C -1.362 173.659 174.900 0.200 0.000 1.420 459 G CA -0.597 44.606 45.100 0.172 0.000 0.796 459 G HN 0.737 nan 8.290 nan 0.000 0.485 460 S N -1.624 114.036 115.700 -0.066 0.000 2.546 460 S HA 0.683 5.154 4.470 0.001 0.000 0.274 460 S C -1.348 173.213 174.600 -0.065 0.000 1.121 460 S CA -0.700 57.523 58.200 0.038 0.000 0.887 460 S CB 1.935 65.182 63.200 0.078 0.000 1.094 460 S HN 0.948 nan 8.310 nan 0.000 0.474 461 V N 2.550 122.452 119.914 -0.019 0.000 2.328 461 V HA 0.834 4.955 4.120 0.001 0.000 0.278 461 V C 0.869 176.979 176.094 0.028 0.000 1.021 461 V CA 0.754 63.025 62.300 -0.049 0.000 0.838 461 V CB 0.356 32.143 31.823 -0.059 0.000 0.999 461 V HN 1.392 nan 8.190 nan 0.000 0.447 462 G N 3.518 112.367 108.800 0.082 0.000 2.512 462 G HA2 0.247 4.208 3.960 0.001 0.000 0.186 462 G HA3 0.247 4.208 3.960 0.001 0.000 0.186 462 G C -0.597 174.367 174.900 0.107 0.000 1.189 462 G CA -0.145 44.991 45.100 0.059 0.000 0.994 462 G HN 0.362 nan 8.290 nan 0.000 0.506 463 D N 0.649 121.050 120.400 0.002 0.000 2.441 463 D HA 0.573 5.213 4.640 0.001 0.000 0.210 463 D C 0.780 176.911 176.300 -0.282 0.000 1.102 463 D CA 1.051 55.033 54.000 -0.030 0.000 0.840 463 D CB 1.440 42.207 40.800 -0.055 0.000 0.990 463 D HN 0.715 nan 8.370 nan 0.000 0.505 464 A N -0.149 122.352 122.820 -0.531 0.000 2.610 464 A HA 0.507 4.828 4.320 0.001 0.000 0.291 464 A C -0.895 176.326 177.584 -0.605 0.000 1.086 464 A CA -0.698 50.932 52.037 -0.679 0.000 0.677 464 A CB 0.662 19.494 19.000 -0.279 0.000 1.278 464 A HN -0.006 nan 8.150 nan 0.000 0.414 465 I N 1.767 122.080 120.570 -0.428 0.000 2.741 465 I HA 0.086 4.257 4.170 0.001 0.000 0.288 465 I C 0.972 177.055 176.117 -0.057 0.000 1.192 465 I CA 0.549 61.733 61.300 -0.194 0.000 1.426 465 I CB 0.795 38.742 38.000 -0.089 0.000 1.367 465 I HN 0.570 nan 8.210 nan 0.000 0.563 466 S N 4.427 120.144 115.700 0.028 0.000 2.654 466 S HA 0.313 4.784 4.470 0.001 0.000 0.283 466 S C 0.852 175.546 174.600 0.157 0.000 1.180 466 S CA -0.878 57.373 58.200 0.084 0.000 1.021 466 S CB 1.727 64.991 63.200 0.107 0.000 1.018 466 S HN 0.491 nan 8.310 nan 0.000 0.532 467 V N 2.151 122.120 119.914 0.092 0.000 3.623 467 V HA 0.352 4.473 4.120 0.001 0.000 0.271 467 V C 0.746 176.867 176.094 0.045 0.000 1.248 467 V CA 0.317 62.656 62.300 0.066 0.000 1.156 467 V CB -1.031 30.812 31.823 0.034 0.000 0.870 467 V HN 0.703 nan 8.190 nan 0.000 0.453 468 M N 0.637 120.279 119.600 0.070 0.000 2.157 468 M HA 0.287 4.767 4.480 0.001 0.000 0.304 468 M C -0.032 176.293 176.300 0.043 0.000 1.171 468 M CA -0.158 55.175 55.300 0.053 0.000 1.157 468 M CB 1.208 33.849 32.600 0.069 0.000 1.403 468 M HN 0.065 nan 8.290 nan 0.000 0.473 469 V N 3.268 123.201 119.914 0.031 0.000 2.529 469 V HA 0.127 4.247 4.120 0.001 0.000 0.292 469 V C -1.688 174.452 176.094 0.077 0.000 1.028 469 V CA -0.952 61.360 62.300 0.019 0.000 1.074 469 V CB -0.426 31.405 31.823 0.015 0.000 0.958 469 V HN 0.674 nan 8.190 nan 0.000 0.481 470 P HA 0.428 nan 4.420 nan 0.000 0.281 470 P C -0.959 176.490 177.300 0.248 0.000 1.264 470 P CA -0.607 62.633 63.100 0.233 0.000 0.824 470 P CB 1.565 33.454 31.700 0.315 0.000 1.092 471 D N -0.406 120.133 120.400 0.233 0.000 2.440 471 D HA 0.363 5.004 4.640 0.001 0.000 0.258 471 D C -0.392 175.899 176.300 -0.015 0.000 1.092 471 D CA -0.457 53.577 54.000 0.056 0.000 1.016 471 D CB 1.526 42.236 40.800 -0.149 0.000 1.141 471 D HN 0.025 nan 8.370 nan 0.000 0.552 472 V N 1.311 121.081 119.914 -0.240 0.000 2.398 472 V HA 0.276 4.397 4.120 0.001 0.000 0.286 472 V C -0.827 175.001 176.094 -0.443 0.000 1.026 472 V CA -0.526 61.600 62.300 -0.289 0.000 0.868 472 V CB 0.512 32.154 31.823 -0.301 0.000 0.982 472 V HN 0.366 nan 8.190 nan 0.000 0.443 473 Y N 4.270 124.553 120.300 -0.028 0.000 2.487 473 Y HA 0.715 5.265 4.550 0.001 0.000 0.337 473 Y C 0.041 176.058 175.900 0.196 0.000 1.076 473 Y CA -0.734 57.429 58.100 0.104 0.000 1.115 473 Y CB 2.028 40.557 38.460 0.116 0.000 1.235 473 Y HN 0.515 nan 8.280 nan 0.000 0.468 474 I N 0.978 121.772 120.570 0.373 0.000 2.647 474 I HA 0.544 4.714 4.170 0.001 0.000 0.295 474 I C -1.077 175.061 176.117 0.036 0.000 1.078 474 I CA -0.368 61.042 61.300 0.184 0.000 1.048 474 I CB 1.785 39.805 38.000 0.032 0.000 1.239 474 I HN 0.592 nan 8.210 nan 0.000 0.421 475 S N 3.433 118.887 115.700 -0.409 0.000 2.513 475 S HA 0.415 4.886 4.470 0.001 0.000 0.299 475 S C -0.289 174.058 174.600 -0.423 0.000 1.087 475 S CA -0.565 57.236 58.200 -0.666 0.000 1.012 475 S CB 1.311 63.571 63.200 -1.566 0.000 1.044 475 S HN 0.756 nan 8.310 nan 0.000 0.485 476 D N 1.495 121.693 120.400 -0.337 0.000 2.469 476 D HA 0.108 4.748 4.640 0.001 0.000 0.215 476 D C 0.011 176.092 176.300 -0.364 0.000 1.154 476 D CA -0.146 53.650 54.000 -0.339 0.000 0.832 476 D CB 0.003 40.620 40.800 -0.305 0.000 1.008 476 D HN 0.544 nan 8.370 nan 0.000 0.506 477 D N -0.675 119.598 120.400 -0.212 0.000 2.772 477 D HA 0.320 4.961 4.640 0.001 0.000 0.272 477 D C 1.468 177.831 176.300 0.105 0.000 1.314 477 D CA -0.319 53.720 54.000 0.065 0.000 0.835 477 D CB 0.017 40.966 40.800 0.248 0.000 1.080 477 D HN 0.140 nan 8.370 nan 0.000 0.482 478 G N -0.489 108.257 108.800 -0.089 0.000 2.189 478 G HA2 -0.120 3.841 3.960 0.001 0.000 0.267 478 G HA3 -0.120 3.841 3.960 0.001 0.000 0.267 478 G C 1.119 176.006 174.900 -0.022 0.000 0.975 478 G CA 0.265 45.343 45.100 -0.036 0.000 0.644 478 G HN 1.520 nan 8.290 nan 0.000 0.537 479 G N -2.284 106.408 108.800 -0.179 0.000 2.205 479 G HA2 -0.129 3.832 3.960 0.001 0.000 0.180 479 G HA3 -0.129 3.832 3.960 0.001 0.000 0.180 479 G C 0.785 175.749 174.900 0.107 0.000 1.004 479 G CA 0.548 45.572 45.100 -0.126 0.000 0.670 479 G HN 0.757 nan 8.290 nan 0.000 0.496 480 Y N 1.968 122.288 120.300 0.034 0.000 2.184 480 Y HA 0.245 4.796 4.550 0.001 0.000 0.290 480 Y C 2.051 177.976 175.900 0.042 0.000 1.129 480 Y CA 1.769 59.874 58.100 0.009 0.000 1.144 480 Y CB 0.147 38.492 38.460 -0.190 0.000 0.995 480 Y HN 0.524 nan 8.280 nan 0.000 0.513 481 S N -1.963 113.761 115.700 0.039 0.000 2.568 481 S HA 0.586 5.057 4.470 0.001 0.000 0.293 481 S C -1.405 173.105 174.600 -0.150 0.000 1.089 481 S CA -0.879 57.359 58.200 0.064 0.000 0.945 481 S CB 1.556 64.797 63.200 0.069 0.000 1.077 481 S HN 0.204 nan 8.310 nan 0.000 0.485 482 W N 0.209 121.551 121.300 0.071 0.000 2.950 482 W HA 0.670 5.330 4.660 0.001 0.000 0.340 482 W C -0.581 176.004 176.519 0.110 0.000 1.139 482 W CA -0.402 56.991 57.345 0.080 0.000 1.188 482 W CB 2.349 31.841 29.460 0.053 0.000 1.426 482 W HN 0.725 nan 8.180 nan 0.000 0.531 483 T N 1.245 116.035 114.554 0.393 0.000 2.900 483 T HA 0.288 4.639 4.350 0.001 0.000 0.295 483 T C -0.850 174.041 174.700 0.317 0.000 1.044 483 T CA -1.092 61.183 62.100 0.291 0.000 0.995 483 T CB 1.824 70.782 68.868 0.149 0.000 1.072 483 T HN 0.262 nan 8.240 nan 0.000 0.473 484 K N 2.647 123.162 120.400 0.191 0.000 2.412 484 K HA 0.180 4.501 4.320 0.001 0.000 0.284 484 K C 1.027 177.551 176.600 -0.127 0.000 1.046 484 K CA -0.055 56.121 56.287 -0.184 0.000 0.999 484 K CB 0.343 32.719 32.500 -0.206 0.000 0.941 484 K HN 0.639 nan 8.250 nan 0.000 0.474 485 M N 4.707 124.194 119.600 -0.188 0.000 2.412 485 M HA 0.127 4.607 4.480 0.001 0.000 0.263 485 M C -0.512 175.646 176.300 -0.236 0.000 1.122 485 M CA 0.970 56.225 55.300 -0.075 0.000 1.179 485 M CB 0.457 33.039 32.600 -0.030 0.000 1.335 485 M HN 0.537 nan 8.290 nan 0.000 0.465 486 L N 1.193 122.190 121.223 -0.377 0.000 2.465 486 L HA 0.316 4.657 4.340 0.001 0.000 0.257 486 L C -1.014 175.698 176.870 -0.263 0.000 0.988 486 L CA -1.227 53.339 54.840 -0.456 0.000 0.827 486 L CB 1.924 43.455 42.059 -0.880 0.000 1.397 486 L HN 0.118 nan 8.230 nan 0.000 0.410 487 E N 1.764 121.880 120.200 -0.140 0.000 2.223 487 E HA 0.559 4.910 4.350 0.001 0.000 0.282 487 E C 0.235 176.901 176.600 0.110 0.000 1.046 487 E CA -0.080 56.304 56.400 -0.028 0.000 0.857 487 E CB 0.825 30.509 29.700 -0.027 0.000 1.055 487 E HN 0.762 nan 8.360 nan 0.000 0.409 488 G N 3.684 112.546 108.800 0.104 0.000 2.730 488 G HA2 -0.131 3.829 3.960 0.001 0.000 0.686 488 G HA3 -0.131 3.829 3.960 0.001 0.000 0.686 488 G C -2.880 172.167 174.900 0.245 0.000 1.343 488 G CA -0.601 44.573 45.100 0.123 0.000 0.826 488 G HN 0.610 nan 8.290 nan 0.000 0.582 489 P HA 0.447 nan 4.420 nan 0.000 0.276 489 P C -0.458 176.953 177.300 0.185 0.000 1.230 489 P CA 0.281 63.569 63.100 0.315 0.000 0.776 489 P CB 0.852 32.624 31.700 0.121 0.000 0.888 490 H N 0.190 119.475 119.070 0.358 0.000 2.946 490 H HA 0.463 5.019 4.556 0.001 0.000 0.365 490 H C -0.584 174.753 175.328 0.015 0.000 1.197 490 H CA -0.286 55.867 56.048 0.175 0.000 1.131 490 H CB 0.767 30.605 29.762 0.125 0.000 1.849 490 H HN 0.295 nan 8.280 nan 0.000 0.555 491 Y N 0.928 121.329 120.300 0.169 0.000 2.320 491 Y HA 0.369 4.920 4.550 0.001 0.000 0.324 491 Y C -0.497 175.431 175.900 0.046 0.000 1.190 491 Y CA -0.294 57.811 58.100 0.008 0.000 1.215 491 Y CB 0.798 39.382 38.460 0.206 0.000 1.221 491 Y HN 0.507 nan 8.280 nan 0.000 0.486 492 Y N -1.844 118.660 120.300 0.339 0.000 2.571 492 Y HA 0.829 5.380 4.550 0.001 0.000 0.341 492 Y C -0.917 175.114 175.900 0.219 0.000 1.076 492 Y CA -1.573 56.667 58.100 0.235 0.000 1.029 492 Y CB 1.383 39.932 38.460 0.149 0.000 1.308 492 Y HN 0.436 nan 8.280 nan 0.000 0.461 493 T N 2.655 117.435 114.554 0.376 0.000 2.923 493 T HA 0.590 4.941 4.350 0.001 0.000 0.311 493 T C -1.065 173.739 174.700 0.173 0.000 1.183 493 T CA -0.637 61.620 62.100 0.262 0.000 1.020 493 T CB 1.645 70.643 68.868 0.216 0.000 1.165 493 T HN 0.627 nan 8.240 nan 0.000 0.482 494 I N 2.922 123.558 120.570 0.110 0.000 2.336 494 I HA 0.459 4.629 4.170 0.001 0.000 0.292 494 I C -0.428 175.681 176.117 -0.013 0.000 0.991 494 I CA -0.621 60.694 61.300 0.024 0.000 1.227 494 I CB 0.944 38.949 38.000 0.009 0.000 1.366 494 I HN 0.293 nan 8.210 nan 0.000 0.466 495 L N 4.295 125.471 121.223 -0.077 0.000 2.304 495 L HA 0.426 4.766 4.340 0.001 0.000 0.268 495 L C 0.199 176.997 176.870 -0.118 0.000 1.010 495 L CA -0.882 53.900 54.840 -0.097 0.000 0.813 495 L CB 0.948 42.908 42.059 -0.164 0.000 1.315 495 L HN 0.571 nan 8.230 nan 0.000 0.445 496 D N 1.145 121.485 120.400 -0.100 0.000 2.829 496 D HA -0.229 4.411 4.640 0.001 0.000 0.219 496 D C 0.331 176.548 176.300 -0.137 0.000 1.239 496 D CA 1.016 54.952 54.000 -0.106 0.000 0.685 496 D CB -0.582 40.141 40.800 -0.129 0.000 0.950 496 D HN 0.704 nan 8.370 nan 0.000 0.398 497 S N -0.416 115.230 115.700 -0.089 0.000 3.521 497 S HA -0.114 4.357 4.470 0.001 0.000 0.362 497 S C 1.519 176.033 174.600 -0.144 0.000 1.044 497 S CA 1.460 59.610 58.200 -0.083 0.000 1.091 497 S CB -1.632 61.503 63.200 -0.107 0.000 0.908 497 S HN 1.712 nan 8.310 nan 0.000 0.473 498 G N -0.817 107.900 108.800 -0.139 0.000 2.194 498 G HA2 -0.209 3.751 3.960 0.001 0.000 0.236 498 G HA3 -0.209 3.751 3.960 0.001 0.000 0.236 498 G C 1.048 175.828 174.900 -0.199 0.000 0.987 498 G CA 0.696 45.698 45.100 -0.163 0.000 0.635 498 G HN 1.460 nan 8.290 nan 0.000 0.520 499 G N -0.119 108.554 108.800 -0.210 0.000 2.475 499 G HA2 0.202 4.162 3.960 0.001 0.000 0.220 499 G HA3 0.202 4.162 3.960 0.001 0.000 0.220 499 G C 0.726 175.495 174.900 -0.218 0.000 1.125 499 G CA 1.308 46.280 45.100 -0.214 0.000 0.755 499 G HN 0.802 nan 8.290 nan 0.000 0.565 500 I N 0.062 120.495 120.570 -0.230 0.000 2.692 500 I HA 0.393 4.563 4.170 0.001 0.000 0.293 500 I C -1.102 174.880 176.117 -0.224 0.000 1.200 500 I CA -0.778 60.358 61.300 -0.275 0.000 1.036 500 I CB 2.496 40.240 38.000 -0.427 0.000 1.258 500 I HN -0.165 nan 8.210 nan 0.000 0.421 501 I N 5.405 125.851 120.570 -0.206 0.000 2.474 501 I HA 0.576 4.746 4.170 0.001 0.000 0.294 501 I C -0.593 175.569 176.117 0.075 0.000 1.005 501 I CA -1.000 60.259 61.300 -0.068 0.000 1.113 501 I CB 2.354 40.316 38.000 -0.062 0.000 1.289 501 I HN 0.152 nan 8.210 nan 0.000 0.436 502 V N 4.191 124.227 119.914 0.204 0.000 2.769 502 V HA 0.886 5.007 4.120 0.001 0.000 0.312 502 V C -0.261 176.063 176.094 0.382 0.000 1.061 502 V CA -0.448 62.043 62.300 0.319 0.000 0.931 502 V CB 1.936 33.877 31.823 0.197 0.000 1.010 502 V HN 0.897 nan 8.190 nan 0.000 0.433 503 A N 4.522 127.558 122.820 0.359 0.000 2.549 503 A HA 0.886 5.206 4.320 0.001 0.000 0.297 503 A C -1.561 176.149 177.584 0.210 0.000 1.061 503 A CA -0.456 51.732 52.037 0.252 0.000 0.690 503 A CB 1.604 20.628 19.000 0.040 0.000 1.287 503 A HN 0.559 nan 8.150 nan 0.000 0.402 504 I N 1.442 122.126 120.570 0.191 0.000 2.465 504 I HA 0.316 4.487 4.170 0.001 0.000 0.291 504 I C 0.390 176.544 176.117 0.062 0.000 1.014 504 I CA -0.261 61.037 61.300 -0.004 0.000 1.093 504 I CB 1.635 39.340 38.000 -0.492 0.000 1.267 504 I HN 0.965 nan 8.210 nan 0.000 0.431 505 E N 4.768 124.943 120.200 -0.041 0.000 2.414 505 E HA -0.086 4.265 4.350 0.001 0.000 0.263 505 E C -0.730 175.838 176.600 -0.053 0.000 1.000 505 E CA -0.056 56.173 56.400 -0.285 0.000 0.914 505 E CB 0.562 30.141 29.700 -0.201 0.000 0.948 505 E HN 0.483 nan 8.360 nan 0.000 0.444 506 H N 2.727 121.708 119.070 -0.149 0.000 2.705 506 H HA 0.307 4.864 4.556 0.001 0.000 0.291 506 H C -1.219 174.118 175.328 0.015 0.000 1.085 506 H CA -0.167 55.931 56.048 0.084 0.000 1.357 506 H CB 0.790 30.546 29.762 -0.010 0.000 1.419 506 H HN 0.245 nan 8.280 nan 0.000 0.462 507 S N 2.354 117.956 115.700 -0.164 0.000 2.599 507 S HA 0.320 4.790 4.470 0.001 0.000 0.294 507 S C 0.870 175.397 174.600 -0.122 0.000 1.094 507 S CA -0.157 57.934 58.200 -0.182 0.000 0.931 507 S CB 1.066 64.217 63.200 -0.081 0.000 1.093 507 S HN 0.775 nan 8.310 nan 0.000 0.488 508 S N 2.356 118.004 115.700 -0.088 0.000 2.496 508 S HA 0.232 4.703 4.470 0.001 0.000 0.224 508 S C 0.640 175.317 174.600 0.128 0.000 0.996 508 S CA -0.057 58.161 58.200 0.030 0.000 0.927 508 S CB -0.159 63.046 63.200 0.009 0.000 0.774 508 S HN 0.642 nan 8.310 nan 0.000 0.524 509 R N 1.633 122.153 120.500 0.034 0.000 2.573 509 R HA 0.535 4.876 4.340 0.001 0.000 0.272 509 R C -2.910 173.273 176.300 -0.195 0.000 1.009 509 R CA -2.468 53.615 56.100 -0.028 0.000 1.059 509 R CB 0.045 30.305 30.300 -0.068 0.000 1.112 509 R HN 0.124 nan 8.270 nan 0.000 0.517 510 P HA -0.003 nan 4.420 nan 0.000 0.268 510 P C -0.800 176.327 177.300 -0.288 0.000 1.208 510 P CA 0.095 62.848 63.100 -0.578 0.000 0.777 510 P CB 0.374 31.671 31.700 -0.672 0.000 0.875 511 I N -1.304 119.137 120.570 -0.215 0.000 2.892 511 I HA 0.675 4.846 4.170 0.001 0.000 0.306 511 I C 0.189 176.157 176.117 -0.247 0.000 1.078 511 I CA -0.684 60.520 61.300 -0.161 0.000 1.032 511 I CB 1.991 39.948 38.000 -0.072 0.000 1.229 511 I HN 0.260 nan 8.210 nan 0.000 0.435 512 N N 1.961 120.459 118.700 -0.337 0.000 2.286 512 N HA 0.206 4.947 4.740 0.001 0.000 0.245 512 N C -1.386 173.673 175.510 -0.753 0.000 1.363 512 N CA -0.146 52.420 53.050 -0.806 0.000 0.822 512 N CB 0.442 38.513 38.487 -0.693 0.000 1.345 512 N HN 0.440 nan 8.380 nan 0.000 0.494 513 V N 1.432 121.254 119.914 -0.154 0.000 2.735 513 V HA 0.578 4.699 4.120 0.001 0.000 0.310 513 V C -0.612 175.684 176.094 0.338 0.000 1.061 513 V CA -0.901 61.457 62.300 0.098 0.000 0.913 513 V CB 2.587 34.424 31.823 0.023 0.000 1.005 513 V HN 0.285 nan 8.190 nan 0.000 0.428 514 I N 3.702 124.514 120.570 0.403 0.000 2.545 514 I HA 0.554 4.724 4.170 0.001 0.000 0.292 514 I C -0.665 175.695 176.117 0.405 0.000 1.040 514 I CA -0.661 60.852 61.300 0.355 0.000 1.068 514 I CB 1.887 40.081 38.000 0.324 0.000 1.251 514 I HN 0.621 nan 8.210 nan 0.000 0.424 515 K N 7.337 127.936 120.400 0.333 0.000 2.123 515 K HA 0.600 4.921 4.320 0.001 0.000 0.259 515 K C -1.262 175.683 176.600 0.575 0.000 0.960 515 K CA -0.440 56.051 56.287 0.341 0.000 0.872 515 K CB 1.618 34.199 32.500 0.136 0.000 1.079 515 K HN 0.456 nan 8.250 nan 0.000 0.440 516 F N -1.935 118.272 119.950 0.429 0.000 2.631 516 F HA 0.618 5.146 4.527 0.001 0.000 0.308 516 F C -0.867 174.819 175.800 -0.189 0.000 1.097 516 F CA -1.005 57.108 58.000 0.189 0.000 0.952 516 F CB 1.971 41.024 39.000 0.088 0.000 1.307 516 F HN 0.406 nan 8.300 nan 0.000 0.450 517 S N 0.128 115.567 115.700 -0.435 0.000 2.538 517 S HA 0.492 4.962 4.470 0.001 0.000 0.288 517 S C 0.149 174.524 174.600 -0.375 0.000 1.108 517 S CA 0.099 57.845 58.200 -0.756 0.000 0.971 517 S CB 1.467 63.664 63.200 -1.673 0.000 1.041 517 S HN 1.129 nan 8.310 nan 0.000 0.483 518 T N -0.183 114.214 114.554 -0.261 0.000 3.086 518 T HA 0.185 4.535 4.350 0.001 0.000 0.250 518 T C 0.232 174.785 174.700 -0.245 0.000 1.074 518 T CA 0.156 62.135 62.100 -0.201 0.000 0.988 518 T CB -0.315 68.488 68.868 -0.107 0.000 0.988 518 T HN 0.684 nan 8.240 nan 0.000 0.530 519 D N 1.329 121.543 120.400 -0.312 0.000 3.008 519 D HA 0.121 4.762 4.640 0.001 0.000 0.312 519 D C -0.325 175.800 176.300 -0.293 0.000 1.361 519 D CA -0.518 53.320 54.000 -0.270 0.000 0.858 519 D CB -0.431 40.227 40.800 -0.237 0.000 1.098 519 D HN 0.473 nan 8.370 nan 0.000 0.482 520 E N 0.271 120.287 120.200 -0.307 0.000 2.269 520 E HA -0.217 4.134 4.350 0.001 0.000 0.223 520 E C 0.949 177.384 176.600 -0.276 0.000 1.244 520 E CA 0.474 56.706 56.400 -0.279 0.000 0.713 520 E CB -1.645 27.911 29.700 -0.240 0.000 1.178 520 E HN 0.736 nan 8.360 nan 0.000 0.370 521 G N -0.329 108.204 108.800 -0.446 0.000 2.159 521 G HA2 -0.411 3.550 3.960 0.001 0.000 0.256 521 G HA3 -0.411 3.550 3.960 0.001 0.000 0.256 521 G C 0.669 175.477 174.900 -0.153 0.000 0.977 521 G CA 0.671 45.560 45.100 -0.351 0.000 0.652 521 G HN 0.440 nan 8.290 nan 0.000 0.531 522 Q N -1.007 118.646 119.800 -0.245 0.000 2.062 522 Q HA 0.165 4.505 4.340 0.001 0.000 0.196 522 Q C 1.182 177.099 176.000 -0.137 0.000 0.967 522 Q CA 1.564 57.291 55.803 -0.127 0.000 0.832 522 Q CB 0.251 28.910 28.738 -0.131 0.000 0.899 522 Q HN 0.629 nan 8.270 nan 0.000 0.442 523 C N -0.579 118.526 119.300 -0.325 0.000 2.561 523 C HA 0.532 4.992 4.460 0.001 0.000 0.319 523 C C -1.157 173.521 174.990 -0.520 0.000 1.198 523 C CA -1.064 57.806 59.018 -0.246 0.000 1.665 523 C CB 0.348 27.976 27.740 -0.188 0.000 2.258 523 C HN 0.389 nan 8.230 nan 0.000 0.493 524 W N 1.096 122.273 121.300 -0.205 0.000 2.844 524 W HA 0.640 5.301 4.660 0.001 0.000 0.340 524 W C -0.381 175.902 176.519 -0.394 0.000 1.093 524 W CA -0.334 56.836 57.345 -0.293 0.000 1.212 524 W CB 1.167 30.500 29.460 -0.213 0.000 1.422 524 W HN 0.463 nan 8.180 nan 0.000 0.515 525 Q N 0.702 120.220 119.800 -0.471 0.000 2.413 525 Q HA 0.652 4.993 4.340 0.001 0.000 0.276 525 Q C -0.817 174.894 176.000 -0.482 0.000 1.099 525 Q CA -0.803 54.598 55.803 -0.671 0.000 0.814 525 Q CB 2.407 30.282 28.738 -1.439 0.000 1.379 525 Q HN 0.225 nan 8.270 nan 0.000 0.436 526 T N 1.776 116.268 114.554 -0.103 0.000 2.770 526 T HA 0.385 4.735 4.350 0.001 0.000 0.283 526 T C -1.606 173.370 174.700 0.459 0.000 0.988 526 T CA -0.417 61.781 62.100 0.163 0.000 0.957 526 T CB 0.211 69.163 68.868 0.139 0.000 0.930 526 T HN 0.388 nan 8.240 nan 0.000 0.443 527 Y N 2.767 123.318 120.300 0.419 0.000 2.335 527 Y HA 0.423 4.973 4.550 0.001 0.000 0.338 527 Y C 0.082 176.170 175.900 0.313 0.000 0.977 527 Y CA -0.996 57.397 58.100 0.488 0.000 1.114 527 Y CB 1.034 39.848 38.460 0.590 0.000 1.182 527 Y HN 0.513 nan 8.280 nan 0.000 0.463 528 T N 8.880 123.260 114.554 -0.291 0.000 2.738 528 T HA 0.089 4.440 4.350 0.001 0.000 0.294 528 T C 0.622 174.777 174.700 -0.909 0.000 0.914 528 T CA -0.068 61.740 62.100 -0.487 0.000 1.052 528 T CB -0.686 67.997 68.868 -0.308 0.000 0.897 528 T HN 0.614 nan 8.240 nan 0.000 0.522 529 F N 1.109 120.604 119.950 -0.759 0.000 2.776 529 F HA 0.494 5.022 4.527 0.001 0.000 0.300 529 F C 0.792 176.307 175.800 -0.474 0.000 1.116 529 F CA -0.625 56.957 58.000 -0.698 0.000 1.375 529 F CB 0.256 39.056 39.000 -0.332 0.000 1.109 529 F HN 0.431 nan 8.300 nan 0.000 0.585 530 T N -0.035 113.999 114.554 -0.867 0.000 2.942 530 T HA 0.283 4.633 4.350 0.001 0.000 0.327 530 T C 0.040 174.463 174.700 -0.461 0.000 1.360 530 T CA -0.677 61.059 62.100 -0.606 0.000 1.055 530 T CB 1.629 69.999 68.868 -0.830 0.000 1.261 530 T HN 0.058 nan 8.240 nan 0.000 0.485 531 R N 1.388 121.737 120.500 -0.252 0.000 2.300 531 R HA 0.150 4.491 4.340 0.001 0.000 0.199 531 R C -0.556 175.643 176.300 -0.168 0.000 0.920 531 R CA 0.425 56.406 56.100 -0.198 0.000 1.046 531 R CB -0.139 30.088 30.300 -0.122 0.000 0.984 531 R HN 0.724 nan 8.270 nan 0.000 0.493 532 D N 0.503 120.814 120.400 -0.149 0.000 2.485 532 D HA 0.257 4.898 4.640 0.001 0.000 0.229 532 D C -2.506 173.693 176.300 -0.169 0.000 1.101 532 D CA -2.145 51.789 54.000 -0.110 0.000 0.906 532 D CB 1.123 41.912 40.800 -0.018 0.000 1.019 532 D HN -0.145 nan 8.370 nan 0.000 0.516 533 P HA 0.100 nan 4.420 nan 0.000 0.266 533 P C -0.099 177.056 177.300 -0.243 0.000 1.193 533 P CA -0.181 62.746 63.100 -0.288 0.000 0.770 533 P CB 0.548 32.078 31.700 -0.284 0.000 0.836 534 I N -1.313 119.127 120.570 -0.217 0.000 2.740 534 I HA 0.449 4.620 4.170 0.001 0.000 0.303 534 I C -0.733 175.180 176.117 -0.341 0.000 1.044 534 I CA -1.475 59.718 61.300 -0.179 0.000 1.064 534 I CB 1.431 39.478 38.000 0.078 0.000 1.249 534 I HN 0.117 nan 8.210 nan 0.000 0.433 535 Y N 3.864 123.896 120.300 -0.446 0.000 2.537 535 Y HA 0.176 4.727 4.550 0.001 0.000 0.339 535 Y C -0.023 175.673 175.900 -0.340 0.000 1.066 535 Y CA 0.250 58.020 58.100 -0.550 0.000 1.357 535 Y CB 0.035 37.738 38.460 -1.261 0.000 1.175 535 Y HN 0.432 nan 8.280 nan 0.000 0.525 536 F N 4.287 124.200 119.950 -0.061 0.000 2.438 536 F HA 0.195 4.723 4.527 0.001 0.000 0.356 536 F C 1.176 177.005 175.800 0.049 0.000 1.099 536 F CA -0.413 57.599 58.000 0.020 0.000 1.185 536 F CB 0.913 39.926 39.000 0.021 0.000 1.115 536 F HN 0.615 nan 8.300 nan 0.000 0.526 537 T N 1.506 115.644 114.554 -0.693 0.000 3.000 537 T HA 0.574 4.925 4.350 0.001 0.000 0.248 537 T C 0.648 174.867 174.700 -0.801 0.000 1.034 537 T CA 0.270 62.101 62.100 -0.448 0.000 1.060 537 T CB 0.015 68.941 68.868 0.097 0.000 0.983 537 T HN 0.907 nan 8.240 nan 0.000 0.482 538 G N 0.377 108.404 108.800 -1.288 0.000 2.411 538 G HA2 0.496 4.457 3.960 0.001 0.000 0.295 538 G HA3 0.496 4.457 3.960 0.001 0.000 0.295 538 G C -2.229 172.612 174.900 -0.100 0.000 1.542 538 G CA -1.079 43.656 45.100 -0.607 0.000 0.814 538 G HN 0.320 nan 8.290 nan 0.000 0.557 539 L N 0.894 122.244 121.223 0.211 0.000 2.313 539 L HA 0.755 5.095 4.340 0.001 0.000 0.283 539 L C 0.463 177.546 176.870 0.354 0.000 1.013 539 L CA -0.883 54.198 54.840 0.401 0.000 0.816 539 L CB 1.853 44.150 42.059 0.397 0.000 1.236 539 L HN 0.821 nan 8.230 nan 0.000 0.419 540 A N 2.651 125.755 122.820 0.473 0.000 2.331 540 A HA 0.845 5.166 4.320 0.001 0.000 0.320 540 A C -0.410 177.516 177.584 0.571 0.000 1.138 540 A CA -0.406 51.938 52.037 0.511 0.000 0.790 540 A CB 1.528 20.859 19.000 0.552 0.000 1.206 540 A HN 0.664 nan 8.150 nan 0.000 0.470 541 S N 1.137 117.095 115.700 0.429 0.000 2.618 541 S HA 0.578 5.049 4.470 0.001 0.000 0.277 541 S C -0.630 173.767 174.600 -0.339 0.000 1.138 541 S CA -0.759 57.579 58.200 0.230 0.000 0.844 541 S CB 1.235 64.532 63.200 0.162 0.000 1.127 541 S HN 0.846 nan 8.310 nan 0.000 0.474 542 E N 1.417 121.231 120.200 -0.642 0.000 2.417 542 E HA 0.203 4.554 4.350 0.001 0.000 0.261 542 E C -2.247 173.972 176.600 -0.636 0.000 1.000 542 E CA -1.494 54.164 56.400 -1.238 0.000 0.919 542 E CB -0.002 29.384 29.700 -0.524 0.000 0.955 542 E HN 0.315 nan 8.360 nan 0.000 0.455 543 P HA -0.018 nan 4.420 nan 0.000 0.264 543 P C 0.220 177.437 177.300 -0.138 0.000 1.179 543 P CA 1.270 64.211 63.100 -0.265 0.000 0.763 543 P CB 0.538 32.134 31.700 -0.174 0.000 0.806 544 G N 2.602 111.365 108.800 -0.061 0.000 2.179 544 G HA2 -0.067 3.894 3.960 0.001 0.000 0.220 544 G HA3 -0.067 3.894 3.960 0.001 0.000 0.220 544 G C 0.629 175.525 174.900 -0.006 0.000 0.990 544 G CA 0.192 45.282 45.100 -0.017 0.000 0.646 544 G HN 0.914 nan 8.290 nan 0.000 0.517 545 A N -1.105 121.701 122.820 -0.024 0.000 2.799 545 A HA -0.261 4.060 4.320 0.001 0.000 0.287 545 A C 1.430 179.008 177.584 -0.011 0.000 1.484 545 A CA 2.408 54.437 52.037 -0.013 0.000 0.813 545 A CB -1.531 17.470 19.000 0.002 0.000 1.009 545 A HN 1.085 nan 8.150 nan 0.000 0.545 546 R N -0.678 119.818 120.500 -0.007 0.000 2.437 546 R HA 0.232 4.572 4.340 0.001 0.000 0.257 546 R C 0.841 177.133 176.300 -0.014 0.000 0.927 546 R CA 0.676 56.780 56.100 0.006 0.000 1.078 546 R CB 0.489 30.812 30.300 0.038 0.000 1.161 546 R HN 0.458 nan 8.270 nan 0.000 0.529 547 S N 0.068 115.754 115.700 -0.024 0.000 2.672 547 S HA 0.316 4.787 4.470 0.001 0.000 0.276 547 S C 0.755 175.321 174.600 -0.056 0.000 1.207 547 S CA -0.431 57.737 58.200 -0.054 0.000 1.002 547 S CB 0.799 63.997 63.200 -0.003 0.000 0.998 547 S HN 0.120 nan 8.310 nan 0.000 0.542 548 M N 2.831 122.388 119.600 -0.071 0.000 2.576 548 M HA 0.278 4.759 4.480 0.001 0.000 0.322 548 M C -0.541 175.829 176.300 0.116 0.000 1.184 548 M CA -0.186 55.116 55.300 0.003 0.000 0.967 548 M CB -0.052 32.555 32.600 0.011 0.000 1.372 548 M HN 0.361 nan 8.290 nan 0.000 0.509 549 N N 1.469 120.215 118.700 0.078 0.000 2.362 549 N HA 0.516 5.256 4.740 0.001 0.000 0.298 549 N C -1.447 174.228 175.510 0.274 0.000 1.048 549 N CA -0.346 52.814 53.050 0.184 0.000 0.858 549 N CB 2.880 41.451 38.487 0.140 0.000 1.218 549 N HN 0.056 nan 8.380 nan 0.000 0.488 550 I N 0.744 121.511 120.570 0.328 0.000 2.533 550 I HA 0.322 4.493 4.170 0.001 0.000 0.290 550 I C -0.745 175.582 176.117 0.351 0.000 1.056 550 I CA -0.565 60.939 61.300 0.340 0.000 1.057 550 I CB 1.639 39.827 38.000 0.313 0.000 1.240 550 I HN 0.307 nan 8.210 nan 0.000 0.423 551 S N 7.478 123.428 115.700 0.416 0.000 2.451 551 S HA 0.668 5.138 4.470 0.001 0.000 0.301 551 S C -0.304 174.535 174.600 0.399 0.000 1.116 551 S CA -0.477 57.958 58.200 0.392 0.000 1.093 551 S CB 0.948 64.450 63.200 0.504 0.000 1.017 551 S HN 0.433 nan 8.310 nan 0.000 0.482 552 I N 2.664 123.385 120.570 0.252 0.000 2.312 552 I HA 0.348 4.518 4.170 0.001 0.000 0.290 552 I C -0.976 175.285 176.117 0.240 0.000 1.008 552 I CA -0.373 61.119 61.300 0.320 0.000 1.226 552 I CB 0.748 38.771 38.000 0.039 0.000 1.371 552 I HN 0.563 nan 8.210 nan 0.000 0.468 553 W N 4.968 126.386 121.300 0.197 0.000 2.551 553 W HA 0.737 5.398 4.660 0.001 0.000 0.330 553 W C 0.553 177.128 176.519 0.093 0.000 1.063 553 W CA -0.039 57.396 57.345 0.151 0.000 1.222 553 W CB 1.941 31.432 29.460 0.052 0.000 1.349 553 W HN 0.587 nan 8.180 nan 0.000 0.536 554 G N 1.186 110.243 108.800 0.428 0.000 2.494 554 G HA2 0.634 4.594 3.960 0.001 0.000 0.308 554 G HA3 0.634 4.594 3.960 0.001 0.000 0.308 554 G C -2.032 173.027 174.900 0.266 0.000 1.263 554 G CA -0.937 44.329 45.100 0.277 0.000 0.840 554 G HN 0.554 nan 8.290 nan 0.000 0.479 555 F N -1.278 118.640 119.950 -0.053 0.000 2.599 555 F HA 0.836 5.364 4.527 0.001 0.000 0.311 555 F C -0.279 175.526 175.800 0.008 0.000 1.076 555 F CA -1.063 56.824 58.000 -0.190 0.000 0.937 555 F CB 1.961 40.541 39.000 -0.699 0.000 1.282 555 F HN 0.579 nan 8.300 nan 0.000 0.460 556 T N 0.793 115.443 114.554 0.159 0.000 2.875 556 T HA 0.402 4.752 4.350 0.001 0.000 0.284 556 T C -1.181 173.667 174.700 0.248 0.000 0.995 556 T CA -0.256 61.919 62.100 0.125 0.000 1.060 556 T CB 1.042 69.964 68.868 0.089 0.000 0.967 556 T HN 0.851 nan 8.240 nan 0.000 0.476 557 E N 2.267 122.628 120.200 0.269 0.000 2.224 557 E HA 0.537 4.888 4.350 0.001 0.000 0.265 557 E C -0.752 175.958 176.600 0.183 0.000 0.878 557 E CA -0.711 55.846 56.400 0.263 0.000 0.759 557 E CB 1.407 31.325 29.700 0.363 0.000 1.164 557 E HN 0.780 nan 8.360 nan 0.000 0.414 558 S N 2.852 118.633 115.700 0.135 0.000 2.766 558 S HA 0.330 4.800 4.470 0.001 0.000 0.307 558 S C 0.648 175.355 174.600 0.178 0.000 1.121 558 S CA -0.731 57.554 58.200 0.142 0.000 0.980 558 S CB 0.624 63.891 63.200 0.112 0.000 1.159 558 S HN 0.567 nan 8.310 nan 0.000 0.546 559 F N 1.026 120.994 119.950 0.029 0.000 2.095 559 F HA -0.054 4.474 4.527 0.001 0.000 0.298 559 F C 1.548 177.355 175.800 0.012 0.000 1.104 559 F CA 1.497 59.508 58.000 0.018 0.000 1.232 559 F CB -0.908 38.100 39.000 0.012 0.000 0.987 559 F HN 0.452 nan 8.300 nan 0.000 0.475 560 L N -0.817 120.460 121.223 0.091 0.000 2.072 560 L HA 0.091 4.432 4.340 0.001 0.000 0.205 560 L C 0.953 177.800 176.870 -0.038 0.000 1.079 560 L CA 1.371 56.207 54.840 -0.006 0.000 0.752 560 L CB -1.440 40.659 42.059 0.066 0.000 0.906 560 L HN 0.253 nan 8.230 nan 0.000 0.436 561 T N -4.203 110.351 114.554 -0.000 0.000 2.749 561 T HA 0.695 5.046 4.350 0.001 0.000 0.310 561 T C -0.508 174.202 174.700 0.017 0.000 1.496 561 T CA -0.329 61.769 62.100 -0.005 0.000 1.006 561 T CB 1.785 70.658 68.868 0.009 0.000 1.457 561 T HN 0.172 nan 8.240 nan 0.000 0.497 562 S N -0.212 115.490 115.700 0.003 0.000 2.705 562 S HA 0.874 5.345 4.470 0.001 0.000 0.280 562 S C -1.747 172.860 174.600 0.012 0.000 1.174 562 S CA -0.711 57.502 58.200 0.021 0.000 0.823 562 S CB 2.125 65.321 63.200 -0.008 0.000 1.162 562 S HN 1.544 nan 8.310 nan 0.000 0.487 563 Q N -0.486 119.323 119.800 0.015 0.000 2.574 563 Q HA 0.367 4.708 4.340 0.001 0.000 0.265 563 Q C -2.360 173.699 176.000 0.099 0.000 0.975 563 Q CA -0.794 55.056 55.803 0.078 0.000 0.923 563 Q CB 0.208 29.011 28.738 0.107 0.000 1.518 563 Q HN 0.733 nan 8.270 nan 0.000 0.401 564 W N 1.781 123.186 121.300 0.176 0.000 2.261 564 W HA 0.607 5.267 4.660 0.001 0.000 0.323 564 W C -0.227 176.437 176.519 0.241 0.000 1.243 564 W CA -0.194 57.289 57.345 0.230 0.000 1.210 564 W CB 1.620 31.173 29.460 0.154 0.000 1.149 564 W HN 0.486 nan 8.180 nan 0.000 0.562 565 V N 3.554 123.729 119.914 0.434 0.000 2.888 565 V HA 0.678 4.799 4.120 0.001 0.000 0.309 565 V C -0.695 175.415 176.094 0.025 0.000 1.114 565 V CA -0.747 61.676 62.300 0.204 0.000 0.940 565 V CB 1.944 33.832 31.823 0.108 0.000 1.021 565 V HN 0.535 nan 8.190 nan 0.000 0.426 566 S N 5.386 120.954 115.700 -0.220 0.000 2.532 566 S HA 0.786 5.257 4.470 0.001 0.000 0.301 566 S C -1.346 173.055 174.600 -0.332 0.000 1.083 566 S CA -0.577 57.333 58.200 -0.485 0.000 1.025 566 S CB 1.574 64.165 63.200 -1.015 0.000 1.056 566 S HN 0.646 nan 8.310 nan 0.000 0.494 567 Y N 0.631 120.905 120.300 -0.044 0.000 2.328 567 Y HA 0.461 5.012 4.550 0.001 0.000 0.336 567 Y C 0.399 176.334 175.900 0.058 0.000 0.960 567 Y CA -0.562 57.575 58.100 0.060 0.000 1.134 567 Y CB 2.160 40.680 38.460 0.099 0.000 1.166 567 Y HN 0.661 nan 8.280 nan 0.000 0.464 568 T N 5.576 120.282 114.554 0.254 0.000 2.771 568 T HA 0.590 4.941 4.350 0.001 0.000 0.281 568 T C -0.270 174.595 174.700 0.276 0.000 0.982 568 T CA -0.485 61.777 62.100 0.270 0.000 0.978 568 T CB 0.398 69.433 68.868 0.277 0.000 0.930 568 T HN 0.369 nan 8.240 nan 0.000 0.447 569 I N 2.777 123.471 120.570 0.207 0.000 2.378 569 I HA 0.339 4.510 4.170 0.001 0.000 0.291 569 I C -0.347 175.801 176.117 0.052 0.000 0.992 569 I CA -0.838 60.506 61.300 0.072 0.000 1.154 569 I CB 1.694 39.673 38.000 -0.034 0.000 1.315 569 I HN 0.449 nan 8.210 nan 0.000 0.448 570 D N 5.693 126.070 120.400 -0.039 0.000 2.392 570 D HA 0.256 4.896 4.640 0.001 0.000 0.228 570 D C 0.082 176.259 176.300 -0.204 0.000 1.074 570 D CA -0.364 53.624 54.000 -0.020 0.000 0.838 570 D CB 0.828 41.649 40.800 0.036 0.000 1.067 570 D HN 0.278 nan 8.370 nan 0.000 0.511 571 F N 2.574 122.459 119.950 -0.108 0.000 2.754 571 F HA 0.038 4.565 4.527 0.001 0.000 0.303 571 F C 2.150 177.869 175.800 -0.134 0.000 1.196 571 F CA 0.044 57.942 58.000 -0.171 0.000 1.416 571 F CB 0.064 38.940 39.000 -0.207 0.000 1.092 571 F HN 0.411 nan 8.300 nan 0.000 0.541 572 K N -1.052 119.345 120.400 -0.006 0.000 2.288 572 K HA -0.097 4.224 4.320 0.001 0.000 0.201 572 K C 0.624 177.209 176.600 -0.025 0.000 1.048 572 K CA 1.437 57.717 56.287 -0.012 0.000 0.956 572 K CB -0.075 32.410 32.500 -0.024 0.000 0.746 572 K HN 0.086 nan 8.250 nan 0.000 0.461 573 D N 0.514 120.883 120.400 -0.052 0.000 2.350 573 D HA 0.083 4.723 4.640 0.001 0.000 0.213 573 D C 1.624 177.902 176.300 -0.036 0.000 1.031 573 D CA 0.254 54.225 54.000 -0.048 0.000 0.861 573 D CB 0.304 41.066 40.800 -0.064 0.000 0.926 573 D HN 0.162 nan 8.370 nan 0.000 0.520 574 I N 0.153 120.702 120.570 -0.034 0.000 2.385 574 I HA -0.015 4.156 4.170 0.001 0.000 0.244 574 I C 1.260 177.381 176.117 0.007 0.000 1.089 574 I CA 0.619 61.919 61.300 -0.000 0.000 1.410 574 I CB -0.434 37.570 38.000 0.007 0.000 1.117 574 I HN -0.074 nan 8.210 nan 0.000 0.429 575 L N 2.418 123.643 121.223 0.004 0.000 2.648 575 L HA 0.121 4.462 4.340 0.001 0.000 0.238 575 L C 1.602 178.460 176.870 -0.019 0.000 1.316 575 L CA -0.001 54.828 54.840 -0.019 0.000 1.241 575 L CB -0.270 41.767 42.059 -0.038 0.000 1.499 575 L HN 0.345 nan 8.230 nan 0.000 0.411 576 E N 2.094 122.285 120.200 -0.015 0.000 2.427 576 E HA -0.084 4.267 4.350 0.001 0.000 0.196 576 E C 0.687 177.279 176.600 -0.014 0.000 1.028 576 E CA -0.109 56.283 56.400 -0.014 0.000 0.864 576 E CB 0.394 30.088 29.700 -0.011 0.000 0.813 576 E HN 0.607 nan 8.360 nan 0.000 0.514 577 R N 0.699 121.188 120.500 -0.018 0.000 2.637 577 R HA 0.366 4.707 4.340 0.001 0.000 0.291 577 R C -0.758 175.531 176.300 -0.018 0.000 0.963 577 R CA -0.912 55.179 56.100 -0.016 0.000 0.901 577 R CB 0.734 31.024 30.300 -0.016 0.000 1.160 577 R HN -0.191 nan 8.270 nan 0.000 0.457 578 N N 1.572 120.269 118.700 -0.005 0.000 2.492 578 N HA 0.066 4.807 4.740 0.001 0.000 0.260 578 N C -0.266 175.250 175.510 0.010 0.000 1.215 578 N CA -0.336 52.719 53.050 0.008 0.000 0.923 578 N CB 0.589 39.092 38.487 0.027 0.000 1.092 578 N HN 0.538 nan 8.380 nan 0.000 0.448 579 c N 1.419 120.032 118.600 0.021 0.000 2.657 579 c HA 0.199 4.770 4.570 0.001 0.000 0.404 579 c C 1.033 175.194 174.090 0.118 0.000 1.291 579 c CA -0.397 55.942 56.329 0.017 0.000 2.218 579 c CB -0.092 42.408 42.510 -0.016 0.000 2.687 579 c HN 0.581 nan 8.230 nan 0.000 0.634 580 E N 0.525 120.789 120.200 0.107 0.000 2.412 580 E HA 0.199 4.550 4.350 0.001 0.000 0.255 580 E C 0.685 177.426 176.600 0.236 0.000 0.933 580 E CA -0.670 55.817 56.400 0.145 0.000 0.823 580 E CB 0.436 30.180 29.700 0.072 0.000 1.352 580 E HN 0.710 nan 8.360 nan 0.000 0.406 581 E N 0.852 121.165 120.200 0.187 0.000 2.085 581 E HA -0.223 4.127 4.350 0.001 0.000 0.194 581 E C 1.693 178.418 176.600 0.209 0.000 0.994 581 E CA 1.602 58.129 56.400 0.212 0.000 0.801 581 E CB 0.067 29.832 29.700 0.108 0.000 0.743 581 E HN 0.368 nan 8.360 nan 0.000 0.453 582 K N 0.159 120.625 120.400 0.111 0.000 2.360 582 K HA -0.161 4.160 4.320 0.001 0.000 0.201 582 K C 0.802 177.409 176.600 0.011 0.000 1.046 582 K CA 1.480 57.802 56.287 0.058 0.000 0.945 582 K CB 0.084 32.600 32.500 0.027 0.000 0.750 582 K HN 0.052 nan 8.250 nan 0.000 0.464 583 D N -0.080 120.296 120.400 -0.040 0.000 2.363 583 D HA 0.005 4.645 4.640 0.001 0.000 0.226 583 D C -0.370 175.673 176.300 -0.428 0.000 1.020 583 D CA 0.593 54.442 54.000 -0.251 0.000 0.892 583 D CB 0.048 40.622 40.800 -0.377 0.000 0.900 583 D HN 0.196 nan 8.370 nan 0.000 0.531 584 Y N -0.609 119.701 120.300 0.017 0.000 2.509 584 Y HA 0.400 4.951 4.550 0.001 0.000 0.341 584 Y C 0.548 176.472 175.900 0.041 0.000 1.038 584 Y CA -0.718 57.403 58.100 0.035 0.000 1.089 584 Y CB 2.249 40.750 38.460 0.070 0.000 1.241 584 Y HN -0.414 nan 8.280 nan 0.000 0.468 585 T N 2.400 117.080 114.554 0.210 0.000 2.909 585 T HA 0.473 4.823 4.350 0.001 0.000 0.299 585 T C -1.237 173.584 174.700 0.202 0.000 1.073 585 T CA -0.587 61.605 62.100 0.153 0.000 0.999 585 T CB 0.820 69.742 68.868 0.089 0.000 1.098 585 T HN 0.483 nan 8.240 nan 0.000 0.477 586 I N 4.035 124.710 120.570 0.175 0.000 2.648 586 I HA 0.535 4.705 4.170 0.001 0.000 0.284 586 I C -1.045 175.242 176.117 0.284 0.000 1.153 586 I CA 0.127 61.546 61.300 0.198 0.000 1.426 586 I CB 0.402 38.471 38.000 0.116 0.000 1.381 586 I HN 0.712 nan 8.210 nan 0.000 0.571 587 W N 8.404 129.761 121.300 0.096 0.000 2.968 587 W HA 0.448 5.109 4.660 0.001 0.000 0.337 587 W C -2.033 174.556 176.519 0.115 0.000 1.060 587 W CA -1.158 56.236 57.345 0.082 0.000 1.240 587 W CB 1.145 30.653 29.460 0.079 0.000 1.370 587 W HN 0.400 nan 8.180 nan 0.000 0.459 588 L N 6.318 127.257 121.223 -0.473 0.000 2.315 588 L HA 0.717 5.058 4.340 0.001 0.000 0.283 588 L C 0.397 176.580 176.870 -1.144 0.000 1.089 588 L CA 0.117 54.637 54.840 -0.534 0.000 0.833 588 L CB 0.355 42.199 42.059 -0.358 0.000 1.170 588 L HN 0.535 nan 8.230 nan 0.000 0.442 589 A N 3.970 126.257 122.820 -0.889 0.000 2.366 589 A HA 0.308 4.628 4.320 0.001 0.000 0.249 589 A C 0.596 177.852 177.584 -0.547 0.000 1.084 589 A CA 0.124 51.533 52.037 -1.047 0.000 0.794 589 A CB -0.170 18.676 19.000 -0.256 0.000 1.034 589 A HN 0.991 nan 8.150 nan 0.000 0.491 590 H N -0.847 117.937 119.070 -0.478 0.000 2.899 590 H HA -0.141 4.416 4.556 0.001 0.000 0.282 590 H C 0.530 175.488 175.328 -0.616 0.000 1.198 590 H CA 0.971 56.720 56.048 -0.497 0.000 1.140 590 H CB -1.621 28.035 29.762 -0.178 0.000 1.317 590 H HN 0.676 nan 8.280 nan 0.000 0.375 591 S N 0.062 115.420 115.700 -0.569 0.000 2.531 591 S HA 0.234 4.705 4.470 0.001 0.000 0.279 591 S C 1.321 175.649 174.600 -0.453 0.000 1.305 591 S CA 0.601 58.545 58.200 -0.427 0.000 1.058 591 S CB 0.905 63.872 63.200 -0.388 0.000 0.899 591 S HN 0.385 nan 8.310 nan 0.000 0.493 592 T N 2.766 117.135 114.554 -0.308 0.000 3.019 592 T HA 0.213 4.564 4.350 0.001 0.000 0.247 592 T C -0.406 174.206 174.700 -0.146 0.000 0.992 592 T CA -0.033 61.929 62.100 -0.230 0.000 1.036 592 T CB 0.073 68.844 68.868 -0.163 0.000 1.063 592 T HN 0.686 nan 8.240 nan 0.000 0.476 593 D N 0.908 121.229 120.400 -0.133 0.000 2.319 593 D HA 0.301 4.942 4.640 0.001 0.000 0.237 593 D C -2.576 173.670 176.300 -0.089 0.000 1.353 593 D CA -1.728 52.216 54.000 -0.094 0.000 0.992 593 D CB 1.644 42.398 40.800 -0.078 0.000 1.368 593 D HN -0.139 nan 8.370 nan 0.000 0.564 594 P HA -0.023 nan 4.420 nan 0.000 0.231 594 P C 0.510 177.786 177.300 -0.041 0.000 1.158 594 P CA 0.743 63.803 63.100 -0.066 0.000 0.763 594 P CB 0.322 31.987 31.700 -0.058 0.000 0.805 595 E N -0.841 119.337 120.200 -0.037 0.000 2.478 595 E HA -0.031 4.319 4.350 0.001 0.000 0.194 595 E C 0.290 176.883 176.600 -0.012 0.000 1.045 595 E CA 0.054 56.444 56.400 -0.016 0.000 0.868 595 E CB -0.042 29.650 29.700 -0.014 0.000 0.885 595 E HN 0.251 nan 8.360 nan 0.000 0.505 596 D N -0.386 119.985 120.400 -0.048 0.000 2.233 596 D HA -0.025 4.616 4.640 0.001 0.000 0.240 596 D C 0.568 176.809 176.300 -0.098 0.000 1.074 596 D CA -0.730 53.209 54.000 -0.102 0.000 0.838 596 D CB 0.676 41.383 40.800 -0.155 0.000 1.124 596 D HN 0.049 nan 8.370 nan 0.000 0.475 597 Y N 1.686 121.968 120.300 -0.031 0.000 2.651 597 Y HA 0.134 4.685 4.550 0.001 0.000 0.296 597 Y C 0.724 176.603 175.900 -0.035 0.000 1.150 597 Y CA 0.621 58.702 58.100 -0.031 0.000 1.348 597 Y CB -0.251 38.195 38.460 -0.024 0.000 0.983 597 Y HN 0.400 nan 8.280 nan 0.000 0.555 598 E N 0.545 120.511 120.200 -0.390 0.000 2.499 598 E HA 0.023 4.374 4.350 0.001 0.000 0.199 598 E C -0.462 176.035 176.600 -0.172 0.000 1.016 598 E CA -0.182 56.060 56.400 -0.264 0.000 0.933 598 E CB 0.057 29.535 29.700 -0.370 0.000 1.050 598 E HN 0.357 nan 8.360 nan 0.000 0.462 599 D N 0.145 120.457 120.400 -0.146 0.000 2.425 599 D HA 0.098 4.738 4.640 0.001 0.000 0.247 599 D C 1.209 177.428 176.300 -0.135 0.000 1.147 599 D CA 1.576 55.492 54.000 -0.139 0.000 0.879 599 D CB 0.636 41.359 40.800 -0.128 0.000 1.179 599 D HN 0.248 nan 8.370 nan 0.000 0.456 600 G N 2.528 111.238 108.800 -0.149 0.000 2.217 600 G HA2 -0.267 3.693 3.960 0.001 0.000 0.246 600 G HA3 -0.267 3.693 3.960 0.001 0.000 0.246 600 G C 0.481 175.307 174.900 -0.123 0.000 0.990 600 G CA 0.131 45.153 45.100 -0.130 0.000 0.627 600 G HN 0.708 nan 8.290 nan 0.000 0.522 601 c N 2.436 120.960 118.600 -0.127 0.000 2.627 601 c HA 0.642 5.212 4.570 0.001 0.000 0.404 601 c C 0.527 174.502 174.090 -0.191 0.000 1.340 601 c CA -0.410 55.840 56.329 -0.133 0.000 1.758 601 c CB -0.718 41.739 42.510 -0.089 0.000 2.501 601 c HN 0.337 nan 8.230 nan 0.000 0.588 602 I N 4.530 124.938 120.570 -0.269 0.000 2.569 602 I HA 0.245 4.415 4.170 0.001 0.000 0.290 602 I C 0.002 175.973 176.117 -0.244 0.000 1.088 602 I CA -0.677 60.440 61.300 -0.305 0.000 1.047 602 I CB 1.712 39.369 38.000 -0.572 0.000 1.237 602 I HN 0.469 nan 8.210 nan 0.000 0.421 603 L N 6.424 127.570 121.223 -0.129 0.000 3.742 603 L HA -0.242 4.099 4.340 0.001 0.000 0.431 603 L C 1.270 178.166 176.870 0.044 0.000 1.220 603 L CA 1.447 56.260 54.840 -0.045 0.000 0.863 603 L CB -1.897 40.161 42.059 -0.002 0.000 1.751 603 L HN 1.127 nan 8.230 nan 0.000 0.922 604 G N -1.849 106.955 108.800 0.006 0.000 2.168 604 G HA2 -0.332 3.629 3.960 0.001 0.000 0.263 604 G HA3 -0.332 3.629 3.960 0.001 0.000 0.263 604 G C 0.053 175.073 174.900 0.200 0.000 0.977 604 G CA 0.868 46.009 45.100 0.069 0.000 0.659 604 G HN 1.490 nan 8.290 nan 0.000 0.533 605 Y N -2.418 117.857 120.300 -0.042 0.000 2.597 605 Y HA 0.808 5.359 4.550 0.001 0.000 0.340 605 Y C -0.317 175.566 175.900 -0.029 0.000 1.097 605 Y CA -1.761 56.320 58.100 -0.033 0.000 1.037 605 Y CB 1.000 39.444 38.460 -0.027 0.000 1.305 605 Y HN 0.040 nan 8.280 nan 0.000 0.463 606 K N 1.320 121.751 120.400 0.051 0.000 2.166 606 K HA 0.539 4.860 4.320 0.001 0.000 0.245 606 K C -1.328 175.272 176.600 0.001 0.000 0.967 606 K CA -0.980 55.277 56.287 -0.049 0.000 0.863 606 K CB 1.991 34.473 32.500 -0.030 0.000 1.107 606 K HN 0.725 nan 8.250 nan 0.000 0.436 607 E N 1.266 121.439 120.200 -0.044 0.000 2.272 607 E HA 0.200 4.550 4.350 0.001 0.000 0.269 607 E C -1.318 175.192 176.600 -0.151 0.000 0.877 607 E CA -0.725 55.607 56.400 -0.114 0.000 0.755 607 E CB 2.433 32.019 29.700 -0.191 0.000 1.192 607 E HN 0.324 nan 8.360 nan 0.000 0.422 608 Q N 1.740 121.423 119.800 -0.196 0.000 2.312 608 Q HA 0.477 4.817 4.340 0.001 0.000 0.263 608 Q C -1.183 174.719 176.000 -0.163 0.000 0.995 608 Q CA -0.556 55.198 55.803 -0.082 0.000 0.853 608 Q CB 1.661 30.374 28.738 -0.042 0.000 1.300 608 Q HN 0.367 nan 8.270 nan 0.000 0.448 609 F N 1.160 121.213 119.950 0.171 0.000 2.458 609 F HA 0.398 4.926 4.527 0.001 0.000 0.330 609 F C -0.152 175.768 175.800 0.199 0.000 1.082 609 F CA -0.930 57.194 58.000 0.207 0.000 0.995 609 F CB 1.016 40.216 39.000 0.333 0.000 1.170 609 F HN 0.249 nan 8.300 nan 0.000 0.478 610 L N 4.396 125.791 121.223 0.288 0.000 2.295 610 L HA 0.399 4.740 4.340 0.001 0.000 0.288 610 L C 0.081 177.172 176.870 0.368 0.000 1.079 610 L CA -0.131 54.866 54.840 0.262 0.000 0.830 610 L CB 0.232 42.351 42.059 0.100 0.000 1.200 610 L HN 0.559 nan 8.230 nan 0.000 0.438 611 R N 2.153 122.872 120.500 0.364 0.000 2.598 611 R HA 0.471 4.812 4.340 0.001 0.000 0.279 611 R C -0.703 175.745 176.300 0.247 0.000 0.984 611 R CA -1.215 55.038 56.100 0.255 0.000 0.999 611 R CB 2.073 32.377 30.300 0.007 0.000 1.114 611 R HN 0.281 nan 8.270 nan 0.000 0.493 612 L N 2.464 123.737 121.223 0.083 0.000 2.426 612 L HA 0.159 4.500 4.340 0.001 0.000 0.271 612 L C 0.057 176.800 176.870 -0.212 0.000 1.169 612 L CA 0.442 55.127 54.840 -0.259 0.000 0.836 612 L CB 0.458 42.333 42.059 -0.305 0.000 1.112 612 L HN 0.423 nan 8.230 nan 0.000 0.465 613 R N 3.616 123.975 120.500 -0.235 0.000 2.543 613 R HA 0.107 4.447 4.340 0.001 0.000 0.277 613 R C 1.038 177.231 176.300 -0.177 0.000 1.074 613 R CA -0.675 55.328 56.100 -0.163 0.000 1.076 613 R CB 0.506 30.725 30.300 -0.135 0.000 0.993 613 R HN 0.504 nan 8.270 nan 0.000 0.459 614 K N 0.962 121.267 120.400 -0.157 0.000 2.103 614 K HA -0.139 4.181 4.320 0.001 0.000 0.207 614 K C 1.767 178.277 176.600 -0.150 0.000 1.048 614 K CA 2.001 58.190 56.287 -0.164 0.000 0.930 614 K CB -0.269 32.144 32.500 -0.146 0.000 0.716 614 K HN 0.648 nan 8.250 nan 0.000 0.444 615 S N -0.410 115.215 115.700 -0.125 0.000 2.558 615 S HA 0.090 4.560 4.470 0.001 0.000 0.217 615 S C 0.777 175.310 174.600 -0.111 0.000 0.975 615 S CA -0.381 57.755 58.200 -0.106 0.000 0.912 615 S CB 0.122 63.273 63.200 -0.082 0.000 0.776 615 S HN -0.065 nan 8.310 nan 0.000 0.526 616 S N 2.068 117.683 115.700 -0.140 0.000 2.523 616 S HA 0.450 4.921 4.470 0.001 0.000 0.275 616 S C -0.467 174.046 174.600 -0.146 0.000 1.281 616 S CA -0.430 57.681 58.200 -0.148 0.000 1.050 616 S CB 0.833 63.909 63.200 -0.207 0.000 0.937 616 S HN 0.594 nan 8.310 nan 0.000 0.492 617 M N 5.520 125.052 119.600 -0.113 0.000 2.065 617 M HA 0.447 4.927 4.480 0.001 0.000 0.332 617 M C -1.086 175.160 176.300 -0.090 0.000 0.988 617 M CA -0.346 54.895 55.300 -0.099 0.000 0.944 617 M CB -0.360 32.202 32.600 -0.063 0.000 1.357 617 M HN 0.905 nan 8.290 nan 0.000 0.388 618 c N 0.898 119.429 118.600 -0.114 0.000 3.311 618 c HA 0.529 5.100 4.570 0.001 0.000 0.325 618 c C -1.059 172.964 174.090 -0.112 0.000 1.352 618 c CA -1.026 55.243 56.329 -0.099 0.000 1.308 618 c CB 1.894 44.340 42.510 -0.107 0.000 1.619 618 c HN 0.843 nan 8.230 nan 0.000 0.469 619 Q N 1.391 121.144 119.800 -0.079 0.000 2.278 619 Q HA 0.302 4.642 4.340 0.001 0.000 0.257 619 Q C 0.533 176.490 176.000 -0.072 0.000 0.928 619 Q CA -0.351 55.404 55.803 -0.080 0.000 0.932 619 Q CB 1.004 29.714 28.738 -0.047 0.000 1.221 619 Q HN 0.757 nan 8.270 nan 0.000 0.434 620 N N 2.581 121.201 118.700 -0.133 0.000 2.084 620 N HA -0.021 4.719 4.740 0.001 0.000 0.190 620 N C 0.444 175.960 175.510 0.010 0.000 1.030 620 N CA 1.449 54.408 53.050 -0.152 0.000 0.849 620 N CB -0.027 38.114 38.487 -0.576 0.000 1.012 620 N HN 0.816 nan 8.380 nan 0.000 0.423 621 G N -0.362 108.436 108.800 -0.002 0.000 2.576 621 G HA2 -0.126 3.834 3.960 0.001 0.000 0.686 621 G HA3 -0.126 3.834 3.960 0.001 0.000 0.686 621 G C 0.130 175.074 174.900 0.073 0.000 1.242 621 G CA -0.506 44.622 45.100 0.048 0.000 0.819 621 G HN 0.137 nan 8.290 nan 0.000 0.655 622 R N -0.026 120.503 120.500 0.049 0.000 2.189 622 R HA -0.047 4.293 4.340 0.001 0.000 0.223 622 R C 1.397 177.744 176.300 0.079 0.000 1.092 622 R CA 1.739 57.871 56.100 0.054 0.000 0.989 622 R CB -0.013 30.308 30.300 0.034 0.000 0.876 622 R HN 0.654 nan 8.270 nan 0.000 0.457 623 D N -1.397 119.054 120.400 0.084 0.000 2.427 623 D HA -0.086 4.554 4.640 0.001 0.000 0.224 623 D C -0.099 176.259 176.300 0.097 0.000 1.157 623 D CA -0.465 53.577 54.000 0.071 0.000 0.828 623 D CB -0.548 40.280 40.800 0.047 0.000 0.974 623 D HN 0.060 nan 8.370 nan 0.000 0.498 624 Y N 1.248 121.553 120.300 0.009 0.000 2.610 624 Y HA 0.290 4.841 4.550 0.001 0.000 0.332 624 Y C -0.584 175.316 175.900 0.001 0.000 1.201 624 Y CA -0.551 57.553 58.100 0.008 0.000 1.465 624 Y CB 0.682 39.157 38.460 0.025 0.000 1.283 624 Y HN -0.154 nan 8.280 nan 0.000 0.563 625 V N 7.380 126.912 119.914 -0.636 0.000 2.444 625 V HA 0.215 4.336 4.120 0.001 0.000 0.294 625 V C -0.669 174.912 176.094 -0.854 0.000 1.022 625 V CA -1.244 60.725 62.300 -0.552 0.000 0.850 625 V CB 1.525 33.176 31.823 -0.286 0.000 0.992 625 V HN 0.622 nan 8.190 nan 0.000 0.426 626 V N 4.597 124.160 119.914 -0.585 0.000 2.425 626 V HA 0.067 4.188 4.120 0.001 0.000 0.276 626 V C 0.823 176.823 176.094 -0.157 0.000 1.017 626 V CA 0.431 62.547 62.300 -0.307 0.000 1.062 626 V CB 0.522 32.364 31.823 0.031 0.000 0.997 626 V HN 0.958 nan 8.190 nan 0.000 0.476 627 T N 7.395 121.863 114.554 -0.144 0.000 2.743 627 T HA 0.533 4.883 4.350 0.001 0.000 0.293 627 T C -0.062 174.598 174.700 -0.067 0.000 0.945 627 T CA -0.536 61.496 62.100 -0.112 0.000 1.030 627 T CB 0.533 69.309 68.868 -0.153 0.000 0.912 627 T HN 0.901 nan 8.240 nan 0.000 0.483 628 K N 2.074 122.383 120.400 -0.153 0.000 2.533 628 K HA 0.632 4.953 4.320 0.001 0.000 0.272 628 K C -1.596 174.872 176.600 -0.221 0.000 0.985 628 K CA -1.298 54.794 56.287 -0.324 0.000 0.876 628 K CB 1.720 33.787 32.500 -0.721 0.000 1.452 628 K HN 0.551 nan 8.250 nan 0.000 0.439 629 Q N 0.340 120.005 119.800 -0.226 0.000 2.271 629 Q HA 0.530 4.871 4.340 0.001 0.000 0.268 629 Q C -2.899 173.040 176.000 -0.101 0.000 1.021 629 Q CA -2.018 53.708 55.803 -0.128 0.000 0.802 629 Q CB 2.471 31.158 28.738 -0.085 0.000 1.282 629 Q HN 0.400 nan 8.270 nan 0.000 0.431 630 P HA 0.301 nan 4.420 nan 0.000 0.287 630 P C -0.911 176.400 177.300 0.019 0.000 1.270 630 P CA -0.483 62.634 63.100 0.028 0.000 0.844 630 P CB 1.733 33.448 31.700 0.026 0.000 1.068 631 S N 1.625 117.363 115.700 0.063 0.000 2.521 631 S HA 0.503 4.974 4.470 0.001 0.000 0.295 631 S C -0.058 174.594 174.600 0.086 0.000 1.098 631 S CA -0.640 57.587 58.200 0.044 0.000 0.999 631 S CB 0.700 63.917 63.200 0.029 0.000 1.034 631 S HN 0.258 nan 8.310 nan 0.000 0.483 632 I N 2.101 122.701 120.570 0.050 0.000 2.365 632 I HA 0.325 4.496 4.170 0.001 0.000 0.291 632 I C 0.273 176.427 176.117 0.062 0.000 1.004 632 I CA -0.562 60.770 61.300 0.054 0.000 1.311 632 I CB 0.572 38.574 38.000 0.002 0.000 1.401 632 I HN 0.629 nan 8.210 nan 0.000 0.491 633 c N 6.141 124.786 118.600 0.075 0.000 2.335 633 c HA 0.549 5.119 4.570 0.001 0.000 0.363 633 c C 0.708 174.830 174.090 0.054 0.000 1.198 633 c CA -0.812 55.555 56.329 0.064 0.000 2.279 633 c CB 1.183 43.719 42.510 0.043 0.000 2.334 633 c HN 0.555 nan 8.230 nan 0.000 0.559 634 L N 1.020 122.284 121.223 0.068 0.000 2.436 634 L HA 0.240 4.581 4.340 0.001 0.000 0.265 634 L C 0.108 177.007 176.870 0.048 0.000 1.168 634 L CA -0.110 54.766 54.840 0.060 0.000 0.815 634 L CB 0.179 42.288 42.059 0.083 0.000 1.109 634 L HN 0.720 nan 8.230 nan 0.000 0.462 635 c N 1.688 120.319 118.600 0.053 0.000 2.593 635 c HA 0.415 4.986 4.570 0.001 0.000 0.409 635 c C 0.868 175.016 174.090 0.098 0.000 1.304 635 c CA -0.475 55.892 56.329 0.065 0.000 2.007 635 c CB 0.057 42.640 42.510 0.121 0.000 2.614 635 c HN 0.913 nan 8.230 nan 0.000 0.585 636 S N 2.582 118.342 115.700 0.101 0.000 2.810 636 S HA 0.550 5.021 4.470 0.001 0.000 0.315 636 S C 0.538 175.268 174.600 0.217 0.000 1.138 636 S CA -0.744 57.524 58.200 0.113 0.000 0.889 636 S CB 0.551 63.785 63.200 0.057 0.000 1.236 636 S HN 0.598 nan 8.310 nan 0.000 0.548 637 L N 0.878 122.189 121.223 0.147 0.000 2.201 637 L HA -0.002 4.339 4.340 0.001 0.000 0.212 637 L C 2.272 179.298 176.870 0.260 0.000 1.105 637 L CA 1.031 55.982 54.840 0.186 0.000 0.775 637 L CB -0.479 41.609 42.059 0.049 0.000 0.913 637 L HN 0.732 nan 8.230 nan 0.000 0.440 638 E N -0.040 120.249 120.200 0.148 0.000 2.401 638 E HA -0.189 4.161 4.350 0.001 0.000 0.199 638 E C 0.843 177.475 176.600 0.053 0.000 1.023 638 E CA 0.778 57.235 56.400 0.096 0.000 0.859 638 E CB -0.092 29.634 29.700 0.043 0.000 0.780 638 E HN 0.544 nan 8.360 nan 0.000 0.523 639 D N -0.526 119.880 120.400 0.009 0.000 2.339 639 D HA 0.055 4.696 4.640 0.001 0.000 0.217 639 D C -0.250 175.793 176.300 -0.428 0.000 1.050 639 D CA 0.204 54.075 54.000 -0.214 0.000 0.856 639 D CB 0.130 40.721 40.800 -0.349 0.000 0.922 639 D HN 0.033 nan 8.370 nan 0.000 0.518 640 F N 0.709 120.687 119.950 0.046 0.000 2.492 640 F HA 0.343 4.870 4.527 0.001 0.000 0.327 640 F C 0.212 176.079 175.800 0.112 0.000 1.079 640 F CA -1.434 56.622 58.000 0.093 0.000 0.967 640 F CB 1.296 40.382 39.000 0.143 0.000 1.169 640 F HN -0.284 nan 8.300 nan 0.000 0.472 641 L N 0.075 121.451 121.223 0.254 0.000 2.343 641 L HA 0.686 5.027 4.340 0.001 0.000 0.275 641 L C -0.606 176.355 176.870 0.151 0.000 1.056 641 L CA -0.852 54.083 54.840 0.158 0.000 0.804 641 L CB 0.647 42.754 42.059 0.080 0.000 1.203 641 L HN 0.523 nan 8.230 nan 0.000 0.440 642 c N 2.079 120.728 118.600 0.081 0.000 2.648 642 c HA 0.179 4.750 4.570 0.001 0.000 0.415 642 c C 0.847 174.952 174.090 0.024 0.000 1.366 642 c CA -0.053 56.270 56.329 -0.009 0.000 1.756 642 c CB -1.018 41.518 42.510 0.043 0.000 2.549 642 c HN 0.852 nan 8.230 nan 0.000 0.597 643 D N 0.474 120.852 120.400 -0.037 0.000 2.433 643 D HA 0.209 4.849 4.640 0.001 0.000 0.255 643 D C -0.091 176.309 176.300 0.166 0.000 1.226 643 D CA -0.613 53.423 54.000 0.059 0.000 1.015 643 D CB 0.379 41.188 40.800 0.014 0.000 1.091 643 D HN 0.401 nan 8.370 nan 0.000 0.527 644 F N -0.188 119.827 119.950 0.108 0.000 2.563 644 F HA 0.319 4.847 4.527 0.001 0.000 0.363 644 F C 1.517 177.469 175.800 0.253 0.000 1.123 644 F CA 1.467 59.549 58.000 0.136 0.000 1.307 644 F CB 0.420 39.517 39.000 0.161 0.000 1.115 644 F HN 0.506 nan 8.300 nan 0.000 0.592 645 G N 3.316 111.587 108.800 -0.882 0.000 2.217 645 G HA2 -0.304 3.656 3.960 0.001 0.000 0.246 645 G HA3 -0.304 3.656 3.960 0.001 0.000 0.246 645 G C -0.274 174.434 174.900 -0.320 0.000 0.990 645 G CA 0.193 44.926 45.100 -0.612 0.000 0.627 645 G HN 0.750 nan 8.290 nan 0.000 0.522 646 Y N -0.211 119.979 120.300 -0.184 0.000 2.567 646 Y HA 0.712 5.263 4.550 0.001 0.000 0.333 646 Y C 0.458 176.414 175.900 0.094 0.000 1.106 646 Y CA -0.788 57.291 58.100 -0.035 0.000 1.157 646 Y CB 1.570 39.958 38.460 -0.121 0.000 1.277 646 Y HN 0.425 nan 8.280 nan 0.000 0.490 647 Y N -1.530 118.782 120.300 0.020 0.000 2.689 647 Y HA 0.769 5.320 4.550 0.001 0.000 0.333 647 Y C -1.406 174.503 175.900 0.014 0.000 1.190 647 Y CA -1.785 56.318 58.100 0.004 0.000 1.063 647 Y CB 1.746 40.193 38.460 -0.022 0.000 1.294 647 Y HN 0.482 nan 8.280 nan 0.000 0.466 648 R N 2.606 123.080 120.500 -0.044 0.000 2.352 648 R HA 0.536 4.877 4.340 0.001 0.000 0.304 648 R C -2.917 173.298 176.300 -0.141 0.000 1.104 648 R CA -1.639 54.383 56.100 -0.130 0.000 0.991 648 R CB 0.860 31.162 30.300 0.004 0.000 1.140 648 R HN 0.542 nan 8.270 nan 0.000 0.540 649 P HA 0.120 nan 4.420 nan 0.000 0.293 649 P C 0.276 177.548 177.300 -0.047 0.000 1.298 649 P CA -0.524 62.492 63.100 -0.141 0.000 0.757 649 P CB 0.616 32.186 31.700 -0.217 0.000 1.262 650 E N -0.103 120.092 120.200 -0.009 0.000 2.446 650 E HA -0.286 4.065 4.350 0.001 0.000 0.248 650 E C 0.894 177.499 176.600 0.009 0.000 1.081 650 E CA 2.071 58.477 56.400 0.009 0.000 1.143 650 E CB -0.884 28.822 29.700 0.010 0.000 1.012 650 E HN 0.651 nan 8.360 nan 0.000 0.487 651 N N 0.207 118.907 118.700 -0.000 0.000 3.084 651 N HA -0.015 4.726 4.740 0.001 0.000 0.336 651 N C 0.024 175.541 175.510 0.012 0.000 1.391 651 N CA -0.408 52.648 53.050 0.009 0.000 0.712 651 N CB -0.236 38.256 38.487 0.008 0.000 1.248 651 N HN -0.215 nan 8.380 nan 0.000 0.545 652 D N -0.215 120.194 120.400 0.015 0.000 2.941 652 D HA 0.070 4.711 4.640 0.001 0.000 0.236 652 D C -0.185 176.134 176.300 0.032 0.000 1.147 652 D CA 0.640 54.654 54.000 0.023 0.000 0.975 652 D CB -1.252 39.560 40.800 0.019 0.000 1.162 652 D HN 0.613 nan 8.370 nan 0.000 0.444 653 S N -0.306 115.417 115.700 0.038 0.000 3.239 653 S HA -0.175 4.296 4.470 0.001 0.000 0.274 653 S C 0.053 174.717 174.600 0.107 0.000 1.320 653 S CA -0.156 58.087 58.200 0.071 0.000 0.848 653 S CB -2.069 61.181 63.200 0.083 0.000 1.075 653 S HN 0.415 nan 8.310 nan 0.000 0.699 654 K N 1.122 121.565 120.400 0.071 0.000 2.281 654 K HA 0.549 4.869 4.320 0.001 0.000 0.272 654 K C -0.198 176.426 176.600 0.041 0.000 1.048 654 K CA -0.494 55.864 56.287 0.119 0.000 0.898 654 K CB 0.724 33.273 32.500 0.081 0.000 1.128 654 K HN 0.496 nan 8.250 nan 0.000 0.460 655 c N 4.877 123.488 118.600 0.017 0.000 2.657 655 c HA 0.152 4.723 4.570 0.001 0.000 0.404 655 c C 0.522 174.575 174.090 -0.062 0.000 1.369 655 c CA -0.867 55.354 56.329 -0.179 0.000 1.665 655 c CB -1.424 40.749 42.510 -0.561 0.000 2.453 655 c HN 0.518 nan 8.230 nan 0.000 0.599 656 V N 1.567 121.479 119.914 -0.004 0.000 2.864 656 V HA 0.556 4.677 4.120 0.001 0.000 0.314 656 V C -0.211 175.873 176.094 -0.017 0.000 1.073 656 V CA -0.887 61.437 62.300 0.040 0.000 0.956 656 V CB 1.340 33.087 31.823 -0.126 0.000 1.023 656 V HN 0.787 nan 8.190 nan 0.000 0.435 657 E N 1.637 121.657 120.200 -0.301 0.000 2.465 657 E HA 0.047 4.398 4.350 0.001 0.000 0.260 657 E C -0.180 176.344 176.600 -0.126 0.000 0.980 657 E CA 0.315 56.346 56.400 -0.616 0.000 0.927 657 E CB 0.499 29.902 29.700 -0.496 0.000 0.934 657 E HN 0.707 nan 8.360 nan 0.000 0.459 658 Q N 3.952 123.635 119.800 -0.195 0.000 2.337 658 Q HA -0.013 4.327 4.340 0.001 0.000 0.270 658 Q C -1.334 174.561 176.000 -0.175 0.000 1.002 658 Q CA -1.125 54.543 55.803 -0.225 0.000 0.888 658 Q CB 0.718 29.230 28.738 -0.377 0.000 1.222 658 Q HN 0.402 nan 8.270 nan 0.000 0.400 659 P HA -0.078 nan 4.420 nan 0.000 0.222 659 P C -0.535 176.709 177.300 -0.094 0.000 1.153 659 P CA 1.226 64.275 63.100 -0.085 0.000 0.798 659 P CB 0.649 32.317 31.700 -0.053 0.000 0.796 660 E N -0.611 119.513 120.200 -0.127 0.000 2.352 660 E HA 0.387 4.738 4.350 0.001 0.000 0.280 660 E C -1.184 175.346 176.600 -0.117 0.000 0.930 660 E CA -0.843 55.499 56.400 -0.095 0.000 0.765 660 E CB 1.860 31.516 29.700 -0.074 0.000 1.219 660 E HN -0.121 nan 8.360 nan 0.000 0.434 661 L N 2.044 123.228 121.223 -0.065 0.000 2.272 661 L HA 0.454 4.795 4.340 0.001 0.000 0.289 661 L C 0.269 177.137 176.870 -0.004 0.000 1.032 661 L CA -0.048 54.762 54.840 -0.049 0.000 0.810 661 L CB 0.778 42.847 42.059 0.016 0.000 1.205 661 L HN 0.335 nan 8.230 nan 0.000 0.422 662 K N 0.842 121.226 120.400 -0.027 0.000 2.352 662 K HA 0.776 5.097 4.320 0.001 0.000 0.240 662 K C 0.416 177.022 176.600 0.009 0.000 1.017 662 K CA -0.196 56.090 56.287 -0.001 0.000 0.851 662 K CB 1.920 34.405 32.500 -0.025 0.000 1.261 662 K HN 0.653 nan 8.250 nan 0.000 0.451 663 G N 1.449 110.276 108.800 0.045 0.000 2.596 663 G HA2 -0.384 3.576 3.960 0.001 0.000 0.295 663 G HA3 -0.384 3.576 3.960 0.001 0.000 0.295 663 G C 0.735 175.701 174.900 0.109 0.000 1.240 663 G CA 0.808 45.953 45.100 0.075 0.000 0.985 663 G HN 0.996 nan 8.290 nan 0.000 0.555 664 H N 0.825 119.948 119.070 0.089 0.000 2.495 664 H HA 0.028 4.585 4.556 0.001 0.000 0.287 664 H C 1.851 177.294 175.328 0.192 0.000 1.033 664 H CA 1.661 57.771 56.048 0.104 0.000 1.307 664 H CB -0.247 29.533 29.762 0.030 0.000 1.401 664 H HN 0.504 nan 8.280 nan 0.000 0.555 665 D N 1.278 121.590 120.400 -0.147 0.000 2.097 665 D HA -0.113 4.527 4.640 0.001 0.000 0.195 665 D C 2.374 178.909 176.300 0.391 0.000 0.989 665 D CA 0.684 54.826 54.000 0.236 0.000 0.827 665 D CB -0.181 40.639 40.800 0.034 0.000 0.966 665 D HN 0.291 nan 8.370 nan 0.000 0.456 666 L N 1.596 122.943 121.223 0.207 0.000 1.994 666 L HA -0.173 4.168 4.340 0.001 0.000 0.208 666 L C 2.027 179.003 176.870 0.177 0.000 1.071 666 L CA 1.766 56.724 54.840 0.196 0.000 0.745 666 L CB -0.573 41.580 42.059 0.158 0.000 0.892 666 L HN -0.005 nan 8.230 nan 0.000 0.431 667 E N -1.289 119.030 120.200 0.197 0.000 2.097 667 E HA -0.316 4.035 4.350 0.001 0.000 0.196 667 E C 2.118 178.863 176.600 0.242 0.000 1.000 667 E CA 1.742 58.281 56.400 0.232 0.000 0.804 667 E CB -0.465 29.399 29.700 0.274 0.000 0.740 667 E HN 0.517 nan 8.360 nan 0.000 0.454 668 F N 0.970 120.958 119.950 0.062 0.000 2.186 668 F HA -0.201 4.327 4.527 0.001 0.000 0.299 668 F C 2.392 178.090 175.800 -0.169 0.000 1.090 668 F CA 0.981 58.916 58.000 -0.108 0.000 1.307 668 F CB -0.382 38.403 39.000 -0.358 0.000 1.019 668 F HN 0.056 nan 8.300 nan 0.000 0.489 669 C N 0.376 119.677 119.300 0.003 0.000 2.429 669 C HA -0.140 4.320 4.460 0.001 0.000 0.277 669 C C 2.782 177.656 174.990 -0.194 0.000 1.262 669 C CA 1.168 60.165 59.018 -0.035 0.000 1.733 669 C CB -1.387 26.467 27.740 0.190 0.000 2.010 669 C HN 0.526 nan 8.230 nan 0.000 0.483 670 L N -1.383 119.697 121.223 -0.239 0.000 2.156 670 L HA -0.080 4.260 4.340 0.001 0.000 0.208 670 L C 1.850 178.436 176.870 -0.473 0.000 1.095 670 L CA 1.489 56.069 54.840 -0.434 0.000 0.770 670 L CB -0.447 41.262 42.059 -0.583 0.000 0.914 670 L HN 0.350 nan 8.230 nan 0.000 0.439 671 Y N -0.606 119.550 120.300 -0.241 0.000 2.449 671 Y HA 0.271 4.821 4.550 0.001 0.000 0.254 671 Y C 1.546 177.238 175.900 -0.347 0.000 1.140 671 Y CA -0.515 57.446 58.100 -0.231 0.000 1.272 671 Y CB -0.100 38.263 38.460 -0.162 0.000 1.114 671 Y HN -0.040 nan 8.280 nan 0.000 0.525 672 G N 0.747 109.273 108.800 -0.456 0.000 2.539 672 G HA2 0.362 4.323 3.960 0.001 0.000 0.258 672 G HA3 0.362 4.323 3.960 0.001 0.000 0.258 672 G C -0.261 174.433 174.900 -0.343 0.000 1.202 672 G CA -0.725 43.962 45.100 -0.689 0.000 0.851 672 G HN 0.130 nan 8.290 nan 0.000 0.556 673 R N 0.716 121.065 120.500 -0.251 0.000 2.490 673 R HA 0.107 4.448 4.340 0.001 0.000 0.280 673 R C 1.641 177.806 176.300 -0.224 0.000 1.077 673 R CA -0.380 55.582 56.100 -0.230 0.000 1.065 673 R CB 1.064 31.171 30.300 -0.323 0.000 1.003 673 R HN 0.792 nan 8.270 nan 0.000 0.470 674 E N 4.066 124.172 120.200 -0.157 0.000 2.095 674 E HA -0.360 3.991 4.350 0.001 0.000 0.212 674 E C 0.873 177.411 176.600 -0.104 0.000 1.044 674 E CA 2.259 58.599 56.400 -0.099 0.000 0.857 674 E CB -0.552 29.106 29.700 -0.071 0.000 0.764 674 E HN 0.770 nan 8.360 nan 0.000 0.462 675 E N 0.486 120.565 120.200 -0.201 0.000 2.164 675 E HA -0.247 4.104 4.350 0.001 0.000 0.206 675 E C 2.072 178.638 176.600 -0.055 0.000 1.032 675 E CA 1.826 58.107 56.400 -0.198 0.000 0.832 675 E CB -0.510 28.959 29.700 -0.386 0.000 0.742 675 E HN 0.555 nan 8.360 nan 0.000 0.460 676 H N -0.671 118.436 119.070 0.062 0.000 2.562 676 H HA 0.195 4.752 4.556 0.001 0.000 0.267 676 H C 1.817 177.259 175.328 0.190 0.000 0.959 676 H CA 0.449 56.578 56.048 0.134 0.000 1.204 676 H CB 0.259 30.127 29.762 0.177 0.000 1.430 676 H HN 0.139 nan 8.280 nan 0.000 0.545 677 L N 0.151 121.489 121.223 0.191 0.000 2.607 677 L HA 0.105 4.445 4.340 0.001 0.000 0.228 677 L C 0.704 177.695 176.870 0.202 0.000 1.123 677 L CA 0.169 55.143 54.840 0.224 0.000 0.890 677 L CB 0.650 42.762 42.059 0.087 0.000 1.103 677 L HN -0.032 nan 8.230 nan 0.000 0.468 678 T N 0.008 114.650 114.554 0.147 0.000 2.738 678 T HA 0.396 4.747 4.350 0.001 0.000 0.298 678 T C -0.310 174.471 174.700 0.136 0.000 0.962 678 T CA 0.039 62.212 62.100 0.121 0.000 0.972 678 T CB 0.575 69.484 68.868 0.068 0.000 0.928 678 T HN 0.123 nan 8.240 nan 0.000 0.474 679 T N 3.174 117.812 114.554 0.140 0.000 2.840 679 T HA 0.347 4.698 4.350 0.001 0.000 0.317 679 T C 0.375 175.096 174.700 0.034 0.000 1.401 679 T CA -0.779 61.377 62.100 0.094 0.000 1.028 679 T CB 1.089 70.022 68.868 0.107 0.000 1.317 679 T HN 0.542 nan 8.240 nan 0.000 0.495 680 N N 1.077 119.746 118.700 -0.052 0.000 2.270 680 N HA 0.239 4.980 4.740 0.001 0.000 0.198 680 N C 1.393 176.611 175.510 -0.487 0.000 1.117 680 N CA 1.013 53.995 53.050 -0.114 0.000 0.845 680 N CB 0.118 38.598 38.487 -0.011 0.000 0.980 680 N HN 1.317 nan 8.380 nan 0.000 0.486 681 G N -0.805 107.483 108.800 -0.852 0.000 2.217 681 G HA2 -0.265 3.696 3.960 0.001 0.000 0.246 681 G HA3 -0.265 3.696 3.960 0.001 0.000 0.246 681 G C -0.558 173.768 174.900 -0.957 0.000 0.990 681 G CA 0.306 44.381 45.100 -1.709 0.000 0.627 681 G HN 0.414 nan 8.290 nan 0.000 0.522 682 Y N -0.266 119.852 120.300 -0.303 0.000 2.485 682 Y HA 0.817 5.368 4.550 0.001 0.000 0.345 682 Y C 0.481 176.407 175.900 0.043 0.000 0.998 682 Y CA -0.998 57.036 58.100 -0.110 0.000 1.059 682 Y CB 1.895 40.206 38.460 -0.248 0.000 1.234 682 Y HN 0.283 nan 8.280 nan 0.000 0.461 683 R N 1.904 122.609 120.500 0.341 0.000 2.564 683 R HA 0.419 4.760 4.340 0.001 0.000 0.284 683 R C -1.415 175.078 176.300 0.322 0.000 1.031 683 R CA -1.044 55.232 56.100 0.294 0.000 0.904 683 R CB 1.310 31.699 30.300 0.148 0.000 1.199 683 R HN 0.654 nan 8.270 nan 0.000 0.443 684 K N 3.522 124.057 120.400 0.225 0.000 2.511 684 K HA 0.053 4.374 4.320 0.001 0.000 0.280 684 K C -0.135 176.416 176.600 -0.081 0.000 1.008 684 K CA 0.212 56.417 56.287 -0.136 0.000 1.050 684 K CB 0.295 32.700 32.500 -0.157 0.000 0.889 684 K HN 0.481 nan 8.250 nan 0.000 0.484 685 I N 7.570 128.057 120.570 -0.139 0.000 2.752 685 I HA -0.030 4.141 4.170 0.001 0.000 0.289 685 I C -1.731 174.358 176.117 -0.046 0.000 1.197 685 I CA -1.439 59.819 61.300 -0.070 0.000 1.432 685 I CB 0.304 38.259 38.000 -0.075 0.000 1.359 685 I HN 0.551 nan 8.210 nan 0.000 0.571 686 P HA 0.088 nan 4.420 nan 0.000 0.271 686 P C 0.656 177.979 177.300 0.038 0.000 1.220 686 P CA 0.297 63.405 63.100 0.013 0.000 0.768 686 P CB 0.945 32.659 31.700 0.023 0.000 0.848 687 G N 1.747 110.579 108.800 0.053 0.000 2.176 687 G HA2 -0.201 3.760 3.960 0.001 0.000 0.253 687 G HA3 -0.201 3.760 3.960 0.001 0.000 0.253 687 G C 0.039 175.003 174.900 0.107 0.000 0.979 687 G CA -0.111 45.046 45.100 0.095 0.000 0.641 687 G HN 0.646 nan 8.290 nan 0.000 0.530 688 D N 0.656 121.080 120.400 0.040 0.000 2.312 688 D HA 0.350 4.991 4.640 0.001 0.000 0.252 688 D C 0.942 177.248 176.300 0.011 0.000 1.150 688 D CA 0.035 54.049 54.000 0.024 0.000 0.870 688 D CB 0.463 41.212 40.800 -0.085 0.000 1.153 688 D HN 0.348 nan 8.370 nan 0.000 0.457 689 K N 2.390 122.835 120.400 0.074 0.000 2.455 689 K HA 0.135 4.456 4.320 0.001 0.000 0.206 689 K C 0.526 177.113 176.600 -0.021 0.000 1.027 689 K CA -0.486 55.785 56.287 -0.027 0.000 1.113 689 K CB 0.061 32.413 32.500 -0.247 0.000 0.850 689 K HN 0.515 nan 8.250 nan 0.000 0.503 690 c N 0.490 119.084 118.600 -0.010 0.000 2.703 690 c HA 0.259 4.830 4.570 0.001 0.000 0.411 690 c C 0.039 174.119 174.090 -0.017 0.000 1.290 690 c CA -0.585 55.739 56.329 -0.009 0.000 2.054 690 c CB -0.034 42.456 42.510 -0.033 0.000 2.732 690 c HN 0.391 nan 8.230 nan 0.000 0.650 691 Q N 1.300 121.102 119.800 0.002 0.000 2.345 691 Q HA 0.596 4.937 4.340 0.001 0.000 0.275 691 Q C 0.152 176.165 176.000 0.021 0.000 1.063 691 Q CA 0.201 56.008 55.803 0.007 0.000 0.819 691 Q CB 2.177 30.913 28.738 -0.005 0.000 1.356 691 Q HN 1.682 nan 8.270 nan 0.000 0.418 692 G N 0.653 109.469 108.800 0.026 0.000 2.796 692 G HA2 0.151 4.112 3.960 0.001 0.000 0.226 692 G HA3 0.151 4.112 3.960 0.001 0.000 0.226 692 G C 0.309 175.234 174.900 0.041 0.000 1.381 692 G CA -0.283 44.833 45.100 0.027 0.000 0.867 692 G HN 1.468 nan 8.290 nan 0.000 0.552 693 G N -2.369 106.452 108.800 0.036 0.000 2.542 693 G HA2 0.164 4.124 3.960 0.001 0.000 0.235 693 G HA3 0.164 4.124 3.960 0.001 0.000 0.235 693 G C 0.398 175.321 174.900 0.039 0.000 1.286 693 G CA 0.465 45.590 45.100 0.042 0.000 0.904 693 G HN 2.105 nan 8.290 nan 0.000 0.577 694 V N 2.306 122.247 119.914 0.045 0.000 2.585 694 V HA 0.352 4.473 4.120 0.001 0.000 0.296 694 V C 0.754 176.852 176.094 0.007 0.000 1.035 694 V CA 0.748 63.049 62.300 0.002 0.000 1.084 694 V CB 1.241 33.059 31.823 -0.009 0.000 0.953 694 V HN 0.773 nan 8.190 nan 0.000 0.483 695 N N 6.027 124.672 118.700 -0.090 0.000 2.609 695 N HA 0.321 5.061 4.740 0.001 0.000 0.268 695 N C -2.701 172.647 175.510 -0.270 0.000 1.106 695 N CA -1.169 51.806 53.050 -0.126 0.000 0.823 695 N CB 2.264 40.738 38.487 -0.021 0.000 1.263 695 N HN 0.427 nan 8.380 nan 0.000 0.533 696 P HA -0.019 nan 4.420 nan 0.000 0.262 696 P C 0.260 177.416 177.300 -0.241 0.000 1.182 696 P CA -0.009 62.782 63.100 -0.516 0.000 0.761 696 P CB 1.707 32.825 31.700 -0.968 0.000 0.795 697 V N 3.125 122.955 119.914 -0.141 0.000 3.477 697 V HA 0.085 4.205 4.120 0.001 0.000 0.297 697 V C 1.325 177.403 176.094 -0.026 0.000 1.433 697 V CA -0.243 62.016 62.300 -0.068 0.000 1.052 697 V CB -0.464 31.327 31.823 -0.054 0.000 0.895 697 V HN 0.546 nan 8.190 nan 0.000 0.438 698 R N 1.630 122.124 120.500 -0.009 0.000 2.587 698 R HA -0.101 4.240 4.340 0.001 0.000 0.268 698 R C 0.195 176.512 176.300 0.028 0.000 0.978 698 R CA 0.355 56.473 56.100 0.030 0.000 1.097 698 R CB 0.355 30.699 30.300 0.074 0.000 0.917 698 R HN 0.310 nan 8.270 nan 0.000 0.414 699 E N 2.995 123.216 120.200 0.035 0.000 2.354 699 E HA 0.051 4.402 4.350 0.001 0.000 0.269 699 E C -0.728 175.901 176.600 0.049 0.000 1.036 699 E CA -0.386 56.035 56.400 0.035 0.000 0.876 699 E CB 1.240 30.959 29.700 0.032 0.000 1.009 699 E HN 0.407 nan 8.360 nan 0.000 0.416 700 V N 4.023 123.963 119.914 0.044 0.000 2.694 700 V HA 0.187 4.308 4.120 0.001 0.000 0.306 700 V C -0.387 175.749 176.094 0.070 0.000 1.054 700 V CA 0.325 62.659 62.300 0.056 0.000 1.161 700 V CB -0.034 31.819 31.823 0.050 0.000 0.916 700 V HN 0.730 nan 8.190 nan 0.000 0.490 701 K N 4.019 124.477 120.400 0.096 0.000 2.477 701 K HA 0.535 4.856 4.320 0.001 0.000 0.255 701 K C -1.224 175.440 176.600 0.107 0.000 0.952 701 K CA -0.701 55.642 56.287 0.094 0.000 0.826 701 K CB 2.052 34.613 32.500 0.102 0.000 1.331 701 K HN 0.739 nan 8.250 nan 0.000 0.437 702 D N 3.761 124.211 120.400 0.083 0.000 2.325 702 D HA 0.067 4.708 4.640 0.001 0.000 0.251 702 D C 0.666 177.025 176.300 0.098 0.000 1.196 702 D CA -0.410 53.642 54.000 0.086 0.000 0.866 702 D CB 1.057 41.889 40.800 0.053 0.000 1.101 702 D HN 0.624 nan 8.370 nan 0.000 0.476 703 L N 1.612 122.920 121.223 0.142 0.000 2.478 703 L HA -0.074 4.267 4.340 0.001 0.000 0.223 703 L C 2.432 179.374 176.870 0.120 0.000 1.140 703 L CA 0.287 55.211 54.840 0.140 0.000 0.842 703 L CB -0.359 41.821 42.059 0.202 0.000 0.953 703 L HN 0.337 nan 8.230 nan 0.000 0.452 704 K N 0.960 121.418 120.400 0.096 0.000 2.020 704 K HA -0.223 4.098 4.320 0.001 0.000 0.212 704 K C 2.144 178.762 176.600 0.030 0.000 1.050 704 K CA 1.529 57.841 56.287 0.043 0.000 0.929 704 K CB -0.021 32.479 32.500 -0.000 0.000 0.714 704 K HN -0.049 nan 8.250 nan 0.000 0.443 705 K N 0.929 121.348 120.400 0.032 0.000 2.173 705 K HA -0.235 4.085 4.320 0.001 0.000 0.207 705 K C 2.048 178.674 176.600 0.044 0.000 1.046 705 K CA 1.974 58.280 56.287 0.032 0.000 0.929 705 K CB -0.242 32.276 32.500 0.030 0.000 0.720 705 K HN 0.478 nan 8.250 nan 0.000 0.453 706 K N 0.406 120.836 120.400 0.050 0.000 2.002 706 K HA -0.143 4.178 4.320 0.001 0.000 0.209 706 K C 2.276 178.918 176.600 0.071 0.000 1.048 706 K CA 2.012 58.327 56.287 0.046 0.000 0.930 706 K CB -0.436 32.081 32.500 0.028 0.000 0.714 706 K HN 0.111 nan 8.250 nan 0.000 0.438 707 C N 1.425 120.781 119.300 0.093 0.000 2.500 707 C HA 0.007 4.467 4.460 0.001 0.000 0.279 707 C C 3.004 178.141 174.990 0.246 0.000 1.288 707 C CA 0.866 59.978 59.018 0.157 0.000 1.710 707 C CB -1.127 26.698 27.740 0.142 0.000 2.052 707 C HN 0.738 nan 8.230 nan 0.000 0.488 708 T N -0.540 114.078 114.554 0.107 0.000 3.098 708 T HA -0.119 4.231 4.350 0.001 0.000 0.266 708 T C 1.676 176.504 174.700 0.213 0.000 1.145 708 T CA 1.468 63.621 62.100 0.089 0.000 1.092 708 T CB -0.556 68.262 68.868 -0.083 0.000 0.908 708 T HN 0.487 nan 8.240 nan 0.000 0.526 709 S N 2.032 117.827 115.700 0.158 0.000 2.400 709 S HA -0.157 4.314 4.470 0.001 0.000 0.232 709 S C 1.895 176.563 174.600 0.113 0.000 1.025 709 S CA 1.294 59.560 58.200 0.110 0.000 0.993 709 S CB -0.645 62.597 63.200 0.070 0.000 0.808 709 S HN 0.682 nan 8.310 nan 0.000 0.478 710 N N -0.139 118.655 118.700 0.156 0.000 2.446 710 N HA 0.086 4.827 4.740 0.001 0.000 0.179 710 N C -0.415 175.019 175.510 -0.125 0.000 1.054 710 N CA 0.352 53.381 53.050 -0.034 0.000 0.905 710 N CB -0.010 38.371 38.487 -0.177 0.000 0.973 710 N HN 0.404 nan 8.380 nan 0.000 0.448 711 F N 1.108 121.046 119.950 -0.019 0.000 2.394 711 F HA 0.260 4.788 4.527 0.001 0.000 0.340 711 F C 0.531 176.319 175.800 -0.021 0.000 1.105 711 F CA -1.215 56.772 58.000 -0.023 0.000 1.124 711 F CB 0.947 39.927 39.000 -0.032 0.000 1.145 711 F HN -0.151 nan 8.300 nan 0.000 0.505 712 L N 3.931 125.228 121.223 0.124 0.000 2.462 712 L HA 0.243 4.584 4.340 0.001 0.000 0.272 712 L C 0.230 177.153 176.870 0.088 0.000 1.166 712 L CA 0.115 55.001 54.840 0.077 0.000 0.880 712 L CB 0.070 42.152 42.059 0.039 0.000 1.142 712 L HN 0.629 nan 8.230 nan 0.000 0.473 713 S N 6.320 122.054 115.700 0.057 0.000 2.585 713 S HA 0.787 5.258 4.470 0.001 0.000 0.277 713 S C -2.143 172.468 174.600 0.018 0.000 1.241 713 S CA -1.016 57.204 58.200 0.033 0.000 1.041 713 S CB 0.836 64.045 63.200 0.016 0.000 0.987 713 S HN 0.718 nan 8.310 nan 0.000 0.512 714 P HA 0.360 nan 4.420 nan 0.000 0.279 714 P C -0.631 176.668 177.300 -0.001 0.000 1.276 714 P CA -0.682 62.420 63.100 0.004 0.000 0.801 714 P CB 0.403 32.102 31.700 -0.001 0.000 1.127 715 E N 0.390 120.590 120.200 -0.001 0.000 2.398 715 E HA 0.052 4.402 4.350 0.001 0.000 0.263 715 E C 0.518 177.114 176.600 -0.006 0.000 1.046 715 E CA -0.332 56.067 56.400 -0.002 0.000 0.908 715 E CB 0.548 30.248 29.700 -0.001 0.000 0.963 715 E HN 0.323 nan 8.360 nan 0.000 0.431 716 K N 0.000 120.396 120.400 -0.006 0.000 2.780 716 K HA 0.000 4.321 4.320 0.001 0.000 0.191 716 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 716 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 716 K HN 0.000 nan 8.250 nan 0.000 0.543