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 1ohf_1_A DATA FIRST_RESID 61 DATA SEQUENCE VITFPTNVAT MPEFRSWARG KLDIDQDSIG WYFKYLDPAG ATESARAVGE DATA SEQUENCE YSKIPDGLVK FSVDAEIREI YNEECPTVSD ASIPLDGAQW SLSIISYPMF DATA SEQUENCE RTAYFAVANV DNKEISLDVT NDLIVWLNNL ASWRDVVDSG QWFTFSDDPT DATA SEQUENCE WFVRIRVLHP TYDLPDPTEG LLRTVSDYRL TYKSITCEAN MPTLVDQGFW DATA SEQUENCE IGGHYALTPI ATTQNAVEGS GFVHPFNVTR PGIAAGVTLT WASMPPGGSA DATA SEQUENCE PSGDPAWIPD STTQFQWRHG GFDAPTGVIT YTIPRGYTMQ YFDTTTNEWN DATA SEQUENCE GFANPDDVVT FGQTGGAAGT NATITITAPT VTLTILATTT SAANVINFRN DATA SEQUENCE LDAETTAASN RSEVPLPPLT FGQTAPNNPK IEQTLVKDTL GSYLVHSKMR DATA SEQUENCE NPVFQLTPAS SFGAISFTNP GFDRNLDLPG FGGIRDSLDV NMSTAVCHFR DATA SEQUENCE SLSKSCSIVT KTYQGWEGVT NVNTPFGQFA HSGLLKNDEI LCLADDLATR DATA SEQUENCE LTGVYGATDN FAAAVLAFAA NMLTSVLKSE ATTSVIKEL 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 61 V HA 0.000 nan 4.120 nan 0.000 0.244 61 V C 0.000 176.076 176.094 -0.029 0.000 1.182 61 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 61 V CB 0.000 31.812 31.823 -0.019 0.000 1.184 62 I N 0.730 121.286 120.570 -0.024 0.000 2.385 62 I HA 0.500 4.670 4.170 0.000 0.000 0.294 62 I C 1.655 177.732 176.117 -0.066 0.000 0.988 62 I CA 0.713 61.999 61.300 -0.025 0.000 1.265 62 I CB 1.603 39.612 38.000 0.016 0.000 1.388 62 I HN 0.030 nan 8.210 nan 0.000 0.480 63 T N 4.205 118.665 114.554 -0.156 0.000 2.852 63 T HA 0.156 4.506 4.350 0.000 0.000 0.256 63 T C 0.572 175.114 174.700 -0.263 0.000 1.038 63 T CA 0.820 62.752 62.100 -0.281 0.000 1.141 63 T CB -0.174 68.393 68.868 -0.501 0.000 0.869 63 T HN 0.180 nan 8.240 nan 0.000 0.439 64 F N 2.806 122.751 119.950 -0.008 0.000 2.450 64 F HA 0.275 4.802 4.527 0.000 0.000 0.339 64 F C -1.609 174.184 175.800 -0.012 0.000 1.146 64 F CA -2.484 55.511 58.000 -0.008 0.000 1.267 64 F CB 0.013 39.005 39.000 -0.014 0.000 1.178 64 F HN -0.012 nan 8.300 nan 0.000 0.585 65 P HA -0.024 nan 4.420 nan 0.000 0.266 65 P C 0.255 177.594 177.300 0.064 0.000 1.195 65 P CA 0.071 63.231 63.100 0.100 0.000 0.768 65 P CB 0.805 32.559 31.700 0.091 0.000 0.838 66 T N -1.851 112.723 114.554 0.033 0.000 3.022 66 T HA 0.064 4.414 4.350 0.000 0.000 0.250 66 T C 0.684 175.373 174.700 -0.019 0.000 1.060 66 T CA -0.192 61.912 62.100 0.007 0.000 1.013 66 T CB -0.237 68.636 68.868 0.008 0.000 0.982 66 T HN 0.633 nan 8.240 nan 0.000 0.508 67 N N -0.243 118.450 118.700 -0.013 0.000 2.396 67 N HA 0.173 4.913 4.740 0.000 0.000 0.275 67 N C -0.010 175.496 175.510 -0.007 0.000 1.218 67 N CA -0.719 52.317 53.050 -0.023 0.000 0.812 67 N CB 1.844 40.325 38.487 -0.009 0.000 1.592 67 N HN -0.114 nan 8.380 nan 0.000 0.480 68 V N 1.081 120.986 119.914 -0.016 0.000 3.444 68 V HA -0.061 4.059 4.120 0.000 0.000 0.271 68 V C 2.456 178.595 176.094 0.075 0.000 1.188 68 V CA 1.562 63.887 62.300 0.041 0.000 1.168 68 V CB -1.362 30.481 31.823 0.034 0.000 0.810 68 V HN 0.843 nan 8.190 nan 0.000 0.500 69 A N 1.060 123.908 122.820 0.047 0.000 1.958 69 A HA -0.271 4.049 4.320 0.000 0.000 0.221 69 A C 2.330 179.950 177.584 0.059 0.000 1.178 69 A CA 2.593 54.659 52.037 0.048 0.000 0.642 69 A CB -0.686 18.334 19.000 0.033 0.000 0.816 69 A HN 0.648 nan 8.150 nan 0.000 0.453 70 T N -3.828 110.766 114.554 0.066 0.000 3.122 70 T HA 0.497 4.847 4.350 0.000 0.000 0.250 70 T C 0.447 175.203 174.700 0.094 0.000 1.067 70 T CA -0.023 62.119 62.100 0.069 0.000 0.966 70 T CB -0.266 68.638 68.868 0.060 0.000 1.002 70 T HN 0.284 nan 8.240 nan 0.000 0.542 71 M N 2.743 122.421 119.600 0.131 0.000 2.741 71 M HA 0.321 4.801 4.480 0.000 0.000 0.283 71 M C -1.836 174.560 176.300 0.160 0.000 1.176 71 M CA -2.434 52.980 55.300 0.189 0.000 1.139 71 M CB 1.619 34.437 32.600 0.364 0.000 1.234 71 M HN -0.115 nan 8.290 nan 0.000 0.497 72 P HA -0.254 nan 4.420 nan 0.000 0.218 72 P C 0.513 177.827 177.300 0.023 0.000 1.154 72 P CA 1.932 65.063 63.100 0.052 0.000 0.872 72 P CB 0.078 31.794 31.700 0.026 0.000 0.790 73 E N -0.251 119.908 120.200 -0.069 0.000 2.097 73 E HA -0.179 4.172 4.350 0.000 0.000 0.196 73 E C 1.965 178.501 176.600 -0.108 0.000 1.000 73 E CA 1.345 57.635 56.400 -0.183 0.000 0.804 73 E CB -1.467 27.988 29.700 -0.408 0.000 0.740 73 E HN 0.381 nan 8.360 nan 0.000 0.454 74 F N 0.582 120.632 119.950 0.166 0.000 2.416 74 F HA 0.138 4.665 4.527 0.000 0.000 0.296 74 F C 2.295 178.175 175.800 0.134 0.000 1.099 74 F CA 0.321 58.418 58.000 0.161 0.000 1.427 74 F CB 0.016 39.029 39.000 0.021 0.000 1.079 74 F HN -0.144 nan 8.300 nan 0.000 0.536 75 R N 0.462 121.112 120.500 0.249 0.000 2.070 75 R HA -0.143 4.197 4.340 0.000 0.000 0.233 75 R C 2.456 178.851 176.300 0.158 0.000 1.137 75 R CA 1.846 58.045 56.100 0.164 0.000 0.945 75 R CB -0.921 29.445 30.300 0.110 0.000 0.845 75 R HN 0.300 nan 8.270 nan 0.000 0.430 76 S N 0.325 116.105 115.700 0.133 0.000 2.419 76 S HA -0.168 4.302 4.470 0.000 0.000 0.233 76 S C 1.674 176.372 174.600 0.164 0.000 1.016 76 S CA 0.617 58.878 58.200 0.101 0.000 0.974 76 S CB -0.455 62.768 63.200 0.037 0.000 0.786 76 S HN 0.461 nan 8.310 nan 0.000 0.492 77 W N 3.010 124.323 121.300 0.021 0.000 2.352 77 W HA 0.100 4.760 4.660 0.000 0.000 0.322 77 W C 2.615 179.165 176.519 0.053 0.000 1.208 77 W CA 1.356 58.723 57.345 0.038 0.000 1.286 77 W CB -1.125 28.390 29.460 0.092 0.000 1.167 77 W HN 0.387 nan 8.180 nan 0.000 0.469 78 A N 0.582 123.649 122.820 0.413 0.000 2.178 78 A HA -0.150 4.170 4.320 0.000 0.000 0.218 78 A C 2.126 179.808 177.584 0.163 0.000 1.157 78 A CA 1.593 53.757 52.037 0.211 0.000 0.689 78 A CB -0.747 18.310 19.000 0.095 0.000 0.787 78 A HN 0.415 nan 8.150 nan 0.000 0.465 79 R N -1.462 119.134 120.500 0.160 0.000 2.280 79 R HA 0.172 4.512 4.340 0.000 0.000 0.195 79 R C 1.484 177.834 176.300 0.083 0.000 0.935 79 R CA 0.906 57.065 56.100 0.099 0.000 1.033 79 R CB -0.132 30.215 30.300 0.079 0.000 0.964 79 R HN 0.616 nan 8.270 nan 0.000 0.489 80 G N 1.283 110.146 108.800 0.104 0.000 2.245 80 G HA2 -0.337 3.623 3.960 0.000 0.000 0.264 80 G HA3 -0.337 3.623 3.960 0.000 0.000 0.264 80 G C -0.065 174.842 174.900 0.012 0.000 0.985 80 G CA 0.506 45.641 45.100 0.058 0.000 0.625 80 G HN 0.327 nan 8.290 nan 0.000 0.536 81 K N 0.222 120.632 120.400 0.017 0.000 2.237 81 K HA 0.480 4.800 4.320 0.000 0.000 0.270 81 K C 0.337 176.915 176.600 -0.037 0.000 1.015 81 K CA -0.820 55.462 56.287 -0.008 0.000 0.949 81 K CB 1.263 33.766 32.500 0.004 0.000 0.976 81 K HN 0.250 nan 8.250 nan 0.000 0.472 82 L N 3.080 124.269 121.223 -0.057 0.000 2.500 82 L HA 0.041 4.381 4.340 0.000 0.000 0.272 82 L C -0.341 176.482 176.870 -0.079 0.000 1.149 82 L CA 0.110 54.898 54.840 -0.087 0.000 0.897 82 L CB -0.059 41.942 42.059 -0.096 0.000 1.178 82 L HN 0.462 nan 8.230 nan 0.000 0.473 83 D N 4.907 125.252 120.400 -0.092 0.000 2.434 83 D HA 0.079 4.719 4.640 0.000 0.000 0.252 83 D C 0.001 176.252 176.300 -0.081 0.000 1.185 83 D CA 0.484 54.438 54.000 -0.076 0.000 0.886 83 D CB 0.281 41.026 40.800 -0.092 0.000 1.148 83 D HN 0.581 nan 8.370 nan 0.000 0.483 84 I N 3.392 123.928 120.570 -0.056 0.000 2.517 84 I HA 0.140 4.310 4.170 0.000 0.000 0.289 84 I C 0.168 176.267 176.117 -0.029 0.000 1.149 84 I CA -0.655 60.613 61.300 -0.053 0.000 1.189 84 I CB 0.225 38.203 38.000 -0.038 0.000 1.641 84 I HN 0.350 nan 8.210 nan 0.000 0.560 85 D N 1.937 122.317 120.400 -0.034 0.000 2.424 85 D HA -0.034 4.606 4.640 0.000 0.000 0.244 85 D C 1.166 177.477 176.300 0.018 0.000 1.134 85 D CA 0.272 54.265 54.000 -0.012 0.000 0.881 85 D CB 1.237 42.022 40.800 -0.025 0.000 1.191 85 D HN 0.267 nan 8.370 nan 0.000 0.445 86 Q N 2.223 122.044 119.800 0.035 0.000 2.030 86 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 86 Q C 0.948 177.008 176.000 0.100 0.000 0.986 86 Q CA 1.914 57.758 55.803 0.068 0.000 0.843 86 Q CB 0.046 28.821 28.738 0.062 0.000 0.904 86 Q HN 0.621 nan 8.270 nan 0.000 0.420 87 D N -0.902 119.547 120.400 0.083 0.000 2.117 87 D HA -0.098 4.542 4.640 0.000 0.000 0.198 87 D C 1.898 178.286 176.300 0.146 0.000 0.982 87 D CA 1.353 55.419 54.000 0.111 0.000 0.828 87 D CB -0.044 40.787 40.800 0.053 0.000 0.967 87 D HN 0.201 nan 8.370 nan 0.000 0.464 88 S N 0.946 116.699 115.700 0.088 0.000 2.368 88 S HA -0.095 4.375 4.470 0.000 0.000 0.225 88 S C 2.246 176.949 174.600 0.172 0.000 1.030 88 S CA 0.593 58.855 58.200 0.102 0.000 0.999 88 S CB -0.151 63.054 63.200 0.007 0.000 0.844 88 S HN 0.269 nan 8.310 nan 0.000 0.459 89 I N 1.405 122.030 120.570 0.091 0.000 2.394 89 I HA -0.082 4.088 4.170 0.000 0.000 0.251 89 I C 2.642 178.849 176.117 0.150 0.000 1.136 89 I CA 0.862 62.182 61.300 0.034 0.000 1.425 89 I CB -0.895 37.107 38.000 0.003 0.000 1.079 89 I HN 0.344 nan 8.210 nan 0.000 0.425 90 G N 0.693 109.640 108.800 0.245 0.000 2.459 90 G HA2 -0.319 3.641 3.960 0.000 0.000 0.217 90 G HA3 -0.319 3.641 3.960 0.000 0.000 0.217 90 G C 1.427 176.495 174.900 0.281 0.000 1.183 90 G CA 0.694 45.977 45.100 0.304 0.000 0.776 90 G HN 0.546 nan 8.290 nan 0.000 0.552 91 W N 0.434 121.833 121.300 0.165 0.000 2.358 91 W HA -0.102 4.558 4.660 0.000 0.000 0.303 91 W C 2.218 178.790 176.519 0.088 0.000 1.208 91 W CA 1.431 58.859 57.345 0.139 0.000 1.274 91 W CB -0.505 29.012 29.460 0.096 0.000 1.138 91 W HN 0.244 nan 8.180 nan 0.000 0.515 92 Y N 0.196 120.434 120.300 -0.103 0.000 2.040 92 Y HA -0.338 4.212 4.550 0.000 0.000 0.275 92 Y C 2.216 177.843 175.900 -0.455 0.000 1.171 92 Y CA 2.585 60.435 58.100 -0.417 0.000 1.123 92 Y CB -1.429 36.803 38.460 -0.380 0.000 0.963 92 Y HN 0.047 nan 8.280 nan 0.000 0.493 93 F N 0.245 120.001 119.950 -0.323 0.000 2.102 93 F HA -0.242 4.285 4.527 0.000 0.000 0.298 93 F C 2.458 177.951 175.800 -0.511 0.000 1.105 93 F CA 1.299 59.032 58.000 -0.445 0.000 1.239 93 F CB -0.309 38.544 39.000 -0.244 0.000 0.991 93 F HN -0.061 nan 8.300 nan 0.000 0.474 94 K N -0.132 120.064 120.400 -0.340 0.000 2.063 94 K HA -0.248 4.072 4.320 0.000 0.000 0.208 94 K C 1.906 178.073 176.600 -0.721 0.000 1.048 94 K CA 1.528 57.425 56.287 -0.651 0.000 0.928 94 K CB -1.070 30.942 32.500 -0.815 0.000 0.713 94 K HN 0.326 nan 8.250 nan 0.000 0.442 95 Y N 1.472 121.254 120.300 -0.863 0.000 2.207 95 Y HA -0.175 4.375 4.550 0.000 0.000 0.287 95 Y C 1.933 177.578 175.900 -0.424 0.000 1.156 95 Y CA 1.442 59.133 58.100 -0.681 0.000 1.182 95 Y CB -0.182 37.544 38.460 -1.223 0.000 0.979 95 Y HN -0.047 nan 8.280 nan 0.000 0.521 96 L N -0.981 119.939 121.223 -0.506 0.000 2.354 96 L HA 0.066 4.406 4.340 0.000 0.000 0.212 96 L C 0.130 176.804 176.870 -0.326 0.000 1.091 96 L CA 0.805 55.383 54.840 -0.436 0.000 0.828 96 L CB 0.193 42.014 42.059 -0.396 0.000 0.973 96 L HN 0.061 nan 8.230 nan 0.000 0.461 97 D N -1.172 119.043 120.400 -0.308 0.000 2.527 97 D HA 0.153 4.793 4.640 0.000 0.000 0.242 97 D C -2.156 173.980 176.300 -0.273 0.000 1.285 97 D CA -1.359 52.520 54.000 -0.201 0.000 0.886 97 D CB 1.374 42.070 40.800 -0.174 0.000 1.402 97 D HN -0.200 nan 8.370 nan 0.000 0.528 98 P HA -0.129 nan 4.420 nan 0.000 0.215 98 P C 1.096 177.963 177.300 -0.722 0.000 1.157 98 P CA 1.665 64.468 63.100 -0.495 0.000 0.874 98 P CB 0.471 32.035 31.700 -0.228 0.000 0.790 99 A N -0.500 121.937 122.820 -0.639 0.000 1.855 99 A HA 0.081 4.401 4.320 0.000 0.000 0.213 99 A C 2.491 179.818 177.584 -0.428 0.000 1.195 99 A CA 1.668 53.241 52.037 -0.772 0.000 0.610 99 A CB -1.800 16.922 19.000 -0.464 0.000 0.837 99 A HN 0.248 nan 8.150 nan 0.000 0.444 100 G N -0.421 108.183 108.800 -0.327 0.000 2.470 100 G HA2 0.043 4.003 3.960 0.000 0.000 0.220 100 G HA3 0.043 4.003 3.960 0.000 0.000 0.220 100 G C 1.583 176.315 174.900 -0.280 0.000 1.121 100 G CA 1.324 46.262 45.100 -0.270 0.000 0.766 100 G HN 0.767 nan 8.290 nan 0.000 0.553 101 A N 0.212 122.835 122.820 -0.328 0.000 1.972 101 A HA -0.006 4.314 4.320 0.000 0.000 0.219 101 A C 2.495 179.874 177.584 -0.341 0.000 1.169 101 A CA 2.392 54.214 52.037 -0.358 0.000 0.635 101 A CB -0.564 18.211 19.000 -0.376 0.000 0.810 101 A HN 0.299 nan 8.150 nan 0.000 0.446 102 T N -0.674 113.695 114.554 -0.309 0.000 2.939 102 T HA -0.016 4.334 4.350 0.000 0.000 0.254 102 T C 1.736 176.344 174.700 -0.152 0.000 1.041 102 T CA 1.140 63.109 62.100 -0.219 0.000 1.142 102 T CB -0.143 68.641 68.868 -0.141 0.000 0.874 102 T HN 0.617 nan 8.240 nan 0.000 0.452 103 E N 1.729 121.838 120.200 -0.151 0.000 2.118 103 E HA -0.112 4.238 4.350 0.000 0.000 0.195 103 E C 2.190 178.723 176.600 -0.113 0.000 0.992 103 E CA 1.498 57.832 56.400 -0.111 0.000 0.804 103 E CB -0.087 29.544 29.700 -0.114 0.000 0.741 103 E HN 0.530 nan 8.360 nan 0.000 0.458 104 S N -0.410 115.197 115.700 -0.155 0.000 2.603 104 S HA 0.315 4.785 4.470 0.000 0.000 0.220 104 S C 1.278 175.782 174.600 -0.161 0.000 0.967 104 S CA 0.307 58.414 58.200 -0.154 0.000 0.920 104 S CB 0.503 63.584 63.200 -0.198 0.000 0.773 104 S HN 0.317 nan 8.310 nan 0.000 0.529 105 A N 0.931 123.662 122.820 -0.149 0.000 2.861 105 A HA -0.266 4.054 4.320 0.000 0.000 0.261 105 A C 1.623 179.118 177.584 -0.148 0.000 1.351 105 A CA 1.376 53.341 52.037 -0.120 0.000 0.904 105 A CB -2.389 16.563 19.000 -0.080 0.000 1.076 105 A HN 0.633 nan 8.150 nan 0.000 0.729 106 R N -0.446 119.905 120.500 -0.249 0.000 2.080 106 R HA 0.256 4.596 4.340 0.000 0.000 0.222 106 R C 1.275 177.482 176.300 -0.155 0.000 1.107 106 R CA 0.923 56.831 56.100 -0.320 0.000 0.980 106 R CB -0.101 29.723 30.300 -0.793 0.000 0.879 106 R HN 0.946 nan 8.270 nan 0.000 0.439 107 A N 1.749 124.454 122.820 -0.191 0.000 2.409 107 A HA 0.437 4.757 4.320 0.000 0.000 0.267 107 A C -0.240 177.327 177.584 -0.028 0.000 1.127 107 A CA -0.055 51.891 52.037 -0.152 0.000 0.795 107 A CB 0.628 19.290 19.000 -0.562 0.000 1.061 107 A HN 0.004 nan 8.150 nan 0.000 0.502 108 V N 1.613 121.638 119.914 0.184 0.000 3.159 108 V HA 0.822 4.942 4.120 0.000 0.000 0.308 108 V C 0.877 177.168 176.094 0.328 0.000 1.190 108 V CA 0.357 62.812 62.300 0.258 0.000 1.037 108 V CB 1.432 33.340 31.823 0.141 0.000 1.060 108 V HN 2.264 nan 8.190 nan 0.000 0.437 109 G N 1.755 110.678 108.800 0.204 0.000 2.512 109 G HA2 -0.148 3.812 3.960 0.000 0.000 0.254 109 G HA3 -0.148 3.812 3.960 0.000 0.000 0.254 109 G C -0.296 174.583 174.900 -0.034 0.000 1.199 109 G CA 0.101 45.255 45.100 0.090 0.000 0.941 109 G HN 0.705 nan 8.290 nan 0.000 0.569 110 E N 1.501 121.661 120.200 -0.066 0.000 2.261 110 E HA 0.343 4.693 4.350 0.000 0.000 0.239 110 E C 0.327 176.886 176.600 -0.068 0.000 0.991 110 E CA -0.338 55.937 56.400 -0.209 0.000 0.847 110 E CB 0.118 29.722 29.700 -0.161 0.000 1.223 110 E HN 0.600 nan 8.360 nan 0.000 0.446 111 Y N -0.695 119.679 120.300 0.124 0.000 2.465 111 Y HA 0.218 4.768 4.550 0.000 0.000 0.311 111 Y C 1.051 177.176 175.900 0.374 0.000 1.204 111 Y CA -0.458 57.775 58.100 0.221 0.000 1.272 111 Y CB 0.120 38.682 38.460 0.170 0.000 1.083 111 Y HN 0.007 nan 8.280 nan 0.000 0.508 112 S N -0.396 115.472 115.700 0.280 0.000 2.593 112 S HA 0.224 4.694 4.470 0.000 0.000 0.236 112 S C 0.275 174.953 174.600 0.130 0.000 0.991 112 S CA -0.516 57.876 58.200 0.320 0.000 0.963 112 S CB 0.120 63.346 63.200 0.044 0.000 0.865 112 S HN 0.317 nan 8.310 nan 0.000 0.488 113 K N 1.145 121.579 120.400 0.056 0.000 2.156 113 K HA 0.552 4.872 4.320 0.000 0.000 0.250 113 K C -0.800 175.561 176.600 -0.399 0.000 0.955 113 K CA -0.589 55.620 56.287 -0.130 0.000 0.855 113 K CB 1.643 34.073 32.500 -0.116 0.000 1.101 113 K HN 0.091 nan 8.250 nan 0.000 0.434 114 I N 2.962 123.182 120.570 -0.584 0.000 2.353 114 I HA 0.190 4.360 4.170 0.000 0.000 0.293 114 I C -2.044 173.683 176.117 -0.650 0.000 0.992 114 I CA -2.407 58.268 61.300 -1.041 0.000 1.268 114 I CB 1.502 38.862 38.000 -1.066 0.000 1.387 114 I HN 0.253 nan 8.210 nan 0.000 0.478 115 P HA 0.085 nan 4.420 nan 0.000 0.226 115 P C -0.488 176.636 177.300 -0.294 0.000 1.783 115 P CA 0.017 62.904 63.100 -0.354 0.000 0.980 115 P CB -0.253 31.288 31.700 -0.265 0.000 1.967 116 D N -0.747 119.496 120.400 -0.262 0.000 2.503 116 D HA 0.121 4.761 4.640 0.000 0.000 0.218 116 D C 1.064 177.297 176.300 -0.112 0.000 1.183 116 D CA -0.592 53.305 54.000 -0.173 0.000 0.827 116 D CB -0.615 40.094 40.800 -0.152 0.000 1.034 116 D HN 0.140 nan 8.370 nan 0.000 0.510 117 G N 1.566 110.300 108.800 -0.110 0.000 2.393 117 G HA2 -0.288 3.672 3.960 0.000 0.000 0.299 117 G HA3 -0.288 3.672 3.960 0.000 0.000 0.299 117 G C 0.468 175.339 174.900 -0.048 0.000 0.990 117 G CA 0.808 45.869 45.100 -0.065 0.000 1.118 117 G HN 0.449 nan 8.290 nan 0.000 0.513 118 L N 0.180 121.364 121.223 -0.065 0.000 2.262 118 L HA 0.495 4.835 4.340 0.000 0.000 0.197 118 L C 1.569 178.407 176.870 -0.053 0.000 1.073 118 L CA 1.644 56.452 54.840 -0.053 0.000 0.800 118 L CB 0.189 42.210 42.059 -0.062 0.000 0.987 118 L HN 0.748 nan 8.230 nan 0.000 0.470 119 V N -2.236 117.635 119.914 -0.072 0.000 2.532 119 V HA 0.392 4.512 4.120 0.000 0.000 0.295 119 V C 1.117 177.186 176.094 -0.042 0.000 1.041 119 V CA -0.701 61.542 62.300 -0.095 0.000 0.926 119 V CB 1.269 32.995 31.823 -0.163 0.000 0.992 119 V HN 0.310 nan 8.190 nan 0.000 0.457 120 K N 2.749 123.146 120.400 -0.005 0.000 2.057 120 K HA 0.127 4.447 4.320 0.000 0.000 0.206 120 K C 0.214 176.947 176.600 0.222 0.000 1.050 120 K CA 1.862 58.227 56.287 0.130 0.000 0.935 120 K CB -0.043 32.600 32.500 0.239 0.000 0.715 120 K HN 0.835 nan 8.250 nan 0.000 0.439 121 F N -1.287 118.681 119.950 0.031 0.000 2.626 121 F HA 0.579 5.106 4.527 0.000 0.000 0.311 121 F C -0.833 174.996 175.800 0.049 0.000 1.088 121 F CA -1.265 56.759 58.000 0.040 0.000 0.949 121 F CB 1.580 40.600 39.000 0.034 0.000 1.322 121 F HN -0.126 nan 8.300 nan 0.000 0.461 122 S N 1.105 116.869 115.700 0.108 0.000 2.615 122 S HA 0.724 5.195 4.470 0.000 0.000 0.268 122 S C -2.445 172.235 174.600 0.133 0.000 1.146 122 S CA -0.706 57.500 58.200 0.011 0.000 0.818 122 S CB 1.361 64.527 63.200 -0.057 0.000 1.111 122 S HN 1.489 nan 8.310 nan 0.000 0.465 123 V N 1.962 121.934 119.914 0.097 0.000 2.680 123 V HA 0.779 4.899 4.120 0.000 0.000 0.309 123 V C -1.784 174.199 176.094 -0.186 0.000 1.052 123 V CA -0.241 62.091 62.300 0.053 0.000 0.908 123 V CB 1.606 33.526 31.823 0.162 0.000 1.001 123 V HN 1.156 nan 8.190 nan 0.000 0.431 124 D N 5.189 125.411 120.400 -0.297 0.000 2.601 124 D HA 0.832 5.472 4.640 0.000 0.000 0.230 124 D C -0.728 175.191 176.300 -0.634 0.000 1.106 124 D CA -0.449 53.257 54.000 -0.491 0.000 0.873 124 D CB 2.301 42.938 40.800 -0.271 0.000 1.515 124 D HN 0.860 nan 8.370 nan 0.000 0.468 125 A N 0.670 122.979 122.820 -0.852 0.000 2.602 125 A HA 0.652 4.972 4.320 0.000 0.000 0.290 125 A C -1.465 175.882 177.584 -0.395 0.000 1.114 125 A CA -0.834 50.817 52.037 -0.645 0.000 0.683 125 A CB 1.870 20.424 19.000 -0.744 0.000 1.281 125 A HN 0.608 nan 8.150 nan 0.000 0.416 126 E N 1.212 121.327 120.200 -0.142 0.000 2.279 126 E HA 0.519 4.869 4.350 0.000 0.000 0.252 126 E C -1.417 175.230 176.600 0.079 0.000 0.894 126 E CA -0.352 56.087 56.400 0.065 0.000 0.785 126 E CB 0.814 30.686 29.700 0.287 0.000 1.237 126 E HN 0.567 nan 8.360 nan 0.000 0.418 127 I N 3.785 124.422 120.570 0.112 0.000 2.428 127 I HA 0.320 4.490 4.170 0.000 0.000 0.289 127 I C 0.277 176.402 176.117 0.013 0.000 1.019 127 I CA -0.281 61.061 61.300 0.069 0.000 1.351 127 I CB 0.984 39.037 38.000 0.088 0.000 1.412 127 I HN 0.342 nan 8.210 nan 0.000 0.513 128 R N 4.980 125.435 120.500 -0.074 0.000 2.451 128 R HA 0.418 4.758 4.340 0.000 0.000 0.307 128 R C -1.186 175.000 176.300 -0.190 0.000 0.965 128 R CA -0.642 55.329 56.100 -0.216 0.000 0.865 128 R CB 1.810 31.931 30.300 -0.298 0.000 1.174 128 R HN 0.481 nan 8.270 nan 0.000 0.455 129 E N 3.911 123.982 120.200 -0.215 0.000 2.256 129 E HA 0.402 4.752 4.350 0.000 0.000 0.268 129 E C -0.712 175.648 176.600 -0.399 0.000 0.877 129 E CA -0.605 55.603 56.400 -0.321 0.000 0.757 129 E CB 2.746 32.248 29.700 -0.329 0.000 1.183 129 E HN 0.469 nan 8.360 nan 0.000 0.418 130 I N 3.121 123.396 120.570 -0.492 0.000 2.389 130 I HA 0.393 4.563 4.170 0.000 0.000 0.288 130 I C -0.784 175.079 176.117 -0.423 0.000 0.999 130 I CA -0.712 60.386 61.300 -0.337 0.000 1.129 130 I CB 0.962 38.856 38.000 -0.178 0.000 1.288 130 I HN 0.382 nan 8.210 nan 0.000 0.444 131 Y N 3.729 124.068 120.300 0.064 0.000 2.536 131 Y HA 0.402 4.952 4.550 0.000 0.000 0.347 131 Y C -0.138 175.800 175.900 0.063 0.000 1.000 131 Y CA -1.052 57.084 58.100 0.061 0.000 1.051 131 Y CB 2.238 40.752 38.460 0.091 0.000 1.259 131 Y HN 0.464 nan 8.280 nan 0.000 0.468 132 N N 1.794 120.630 118.700 0.227 0.000 2.407 132 N HA 0.193 4.933 4.740 0.000 0.000 0.277 132 N C -1.663 173.933 175.510 0.143 0.000 0.995 132 N CA -0.564 52.574 53.050 0.146 0.000 0.903 132 N CB 0.987 39.531 38.487 0.095 0.000 1.218 132 N HN 0.452 nan 8.380 nan 0.000 0.487 133 E N 2.157 122.474 120.200 0.194 0.000 2.028 133 E HA 0.178 4.528 4.350 0.000 0.000 0.266 133 E C -0.513 176.335 176.600 0.414 0.000 0.962 133 E CA -0.545 56.037 56.400 0.305 0.000 0.784 133 E CB 0.567 30.505 29.700 0.398 0.000 1.114 133 E HN 0.607 nan 8.360 nan 0.000 0.414 134 E N 0.340 120.729 120.200 0.316 0.000 2.283 134 E HA 0.212 4.562 4.350 0.000 0.000 0.267 134 E C -0.123 176.395 176.600 -0.138 0.000 1.045 134 E CA -0.926 55.558 56.400 0.140 0.000 0.884 134 E CB 0.596 30.321 29.700 0.042 0.000 1.106 134 E HN 0.314 nan 8.360 nan 0.000 0.408 135 C N 3.415 122.210 119.300 -0.841 0.000 2.633 135 C HA 0.086 4.546 4.460 0.000 0.000 0.415 135 C C -1.113 173.341 174.990 -0.894 0.000 1.393 135 C CA -1.043 56.958 59.018 -1.696 0.000 1.700 135 C CB -0.552 26.082 27.740 -1.843 0.000 2.541 135 C HN 0.633 nan 8.230 nan 0.000 0.603 136 P HA -0.237 nan 4.420 nan 0.000 0.224 136 P C 1.667 178.637 177.300 -0.550 0.000 1.130 136 P CA 3.603 66.074 63.100 -1.048 0.000 0.976 136 P CB -0.152 30.469 31.700 -1.798 0.000 0.781 137 T N -1.138 113.101 114.554 -0.525 0.000 2.684 137 T HA -0.088 4.262 4.350 0.000 0.000 0.267 137 T C 0.992 175.556 174.700 -0.227 0.000 1.036 137 T CA 0.768 62.681 62.100 -0.312 0.000 1.148 137 T CB -1.266 67.442 68.868 -0.267 0.000 0.863 137 T HN -0.091 nan 8.240 nan 0.000 0.436 138 V N 2.858 122.616 119.914 -0.260 0.000 3.061 138 V HA 0.246 4.366 4.120 0.000 0.000 0.306 138 V C 0.777 176.805 176.094 -0.109 0.000 1.118 138 V CA -0.125 62.068 62.300 -0.178 0.000 1.231 138 V CB 0.500 32.199 31.823 -0.206 0.000 0.956 138 V HN 0.711 nan 8.190 nan 0.000 0.499 139 S N 1.110 116.765 115.700 -0.075 0.000 2.715 139 S HA 0.434 4.904 4.470 0.000 0.000 0.307 139 S C 0.349 174.930 174.600 -0.031 0.000 1.119 139 S CA -0.739 57.434 58.200 -0.045 0.000 0.937 139 S CB 1.821 64.998 63.200 -0.038 0.000 1.150 139 S HN 0.612 nan 8.310 nan 0.000 0.521 140 D N 0.857 121.246 120.400 -0.018 0.000 2.224 140 D HA 0.076 4.716 4.640 0.000 0.000 0.205 140 D C 2.100 178.393 176.300 -0.011 0.000 0.965 140 D CA 1.436 55.430 54.000 -0.010 0.000 0.852 140 D CB -0.707 40.091 40.800 -0.004 0.000 0.947 140 D HN 0.664 nan 8.370 nan 0.000 0.494 141 A N 0.409 123.221 122.820 -0.014 0.000 1.972 141 A HA -0.006 4.314 4.320 0.000 0.000 0.219 141 A C 1.142 178.718 177.584 -0.014 0.000 1.169 141 A CA 1.497 53.526 52.037 -0.013 0.000 0.635 141 A CB -0.025 18.968 19.000 -0.013 0.000 0.810 141 A HN 0.336 nan 8.150 nan 0.000 0.446 142 S N -2.139 113.549 115.700 -0.020 0.000 2.595 142 S HA 0.567 5.037 4.470 0.000 0.000 0.270 142 S C -0.759 173.824 174.600 -0.029 0.000 1.145 142 S CA -0.354 57.833 58.200 -0.020 0.000 0.825 142 S CB 0.414 63.603 63.200 -0.019 0.000 1.107 142 S HN 1.015 nan 8.310 nan 0.000 0.461 143 I N -1.694 118.862 120.570 -0.024 0.000 2.693 143 I HA 0.653 4.824 4.170 0.000 0.000 0.303 143 I C -2.209 173.890 176.117 -0.029 0.000 1.025 143 I CA -2.697 58.584 61.300 -0.031 0.000 1.086 143 I CB 1.340 39.330 38.000 -0.017 0.000 1.268 143 I HN 0.403 nan 8.210 nan 0.000 0.440 144 P HA -0.002 nan 4.420 nan 0.000 0.213 144 P C 0.461 177.750 177.300 -0.018 0.000 1.170 144 P CA 1.067 64.147 63.100 -0.034 0.000 0.898 144 P CB 0.006 31.677 31.700 -0.047 0.000 0.787 145 L N -1.876 119.342 121.223 -0.009 0.000 3.598 145 L HA -0.182 4.158 4.340 0.000 0.000 0.422 145 L C 0.018 176.888 176.870 0.001 0.000 1.262 145 L CA -0.289 54.551 54.840 0.002 0.000 0.889 145 L CB -1.726 40.333 42.059 0.001 0.000 1.857 145 L HN 0.168 nan 8.230 nan 0.000 0.858 146 D N -0.072 120.328 120.400 -0.001 0.000 2.453 146 D HA 0.541 5.181 4.640 0.000 0.000 0.282 146 D C 1.197 177.503 176.300 0.011 0.000 1.222 146 D CA 0.727 54.726 54.000 -0.001 0.000 1.079 146 D CB 0.868 41.661 40.800 -0.012 0.000 1.128 146 D HN 0.190 nan 8.370 nan 0.000 0.568 147 G N -1.366 107.440 108.800 0.011 0.000 3.528 147 G HA2 0.445 4.405 3.960 0.000 0.000 0.266 147 G HA3 0.445 4.405 3.960 0.000 0.000 0.266 147 G C 0.097 175.011 174.900 0.024 0.000 1.004 147 G CA 0.332 45.444 45.100 0.019 0.000 0.853 147 G HN 0.528 nan 8.290 nan 0.000 0.501 148 A N 0.202 123.033 122.820 0.018 0.000 2.407 148 A HA 0.722 5.042 4.320 0.000 0.000 0.248 148 A C 0.010 177.633 177.584 0.065 0.000 1.082 148 A CA 0.141 52.190 52.037 0.020 0.000 0.785 148 A CB 0.507 19.499 19.000 -0.013 0.000 1.020 148 A HN 0.364 nan 8.150 nan 0.000 0.489 149 Q N 0.577 120.427 119.800 0.084 0.000 2.421 149 Q HA 0.602 4.942 4.340 0.000 0.000 0.280 149 Q C -1.150 174.981 176.000 0.219 0.000 1.085 149 Q CA -0.680 55.217 55.803 0.157 0.000 0.807 149 Q CB 2.538 31.325 28.738 0.081 0.000 1.405 149 Q HN 0.888 nan 8.270 nan 0.000 0.419 150 W N -0.154 121.094 121.300 -0.087 0.000 3.047 150 W HA 0.764 5.424 4.660 0.000 0.000 0.341 150 W C -1.274 175.192 176.519 -0.089 0.000 1.225 150 W CA -1.294 55.977 57.345 -0.123 0.000 1.150 150 W CB 0.501 29.866 29.460 -0.158 0.000 1.470 150 W HN 0.679 nan 8.180 nan 0.000 0.578 151 S N 1.352 116.976 115.700 -0.126 0.000 2.536 151 S HA 0.824 5.294 4.470 0.000 0.000 0.298 151 S C -1.395 173.066 174.600 -0.232 0.000 1.083 151 S CA -0.687 57.369 58.200 -0.240 0.000 0.995 151 S CB 2.312 65.457 63.200 -0.091 0.000 1.058 151 S HN 0.762 nan 8.310 nan 0.000 0.488 152 L N 1.078 122.184 121.223 -0.194 0.000 2.434 152 L HA 0.844 5.184 4.340 0.000 0.000 0.260 152 L C -1.262 175.768 176.870 0.266 0.000 0.983 152 L CA -0.042 54.785 54.840 -0.023 0.000 0.820 152 L CB 2.279 44.129 42.059 -0.347 0.000 1.361 152 L HN 0.851 nan 8.230 nan 0.000 0.410 153 S N 4.368 120.275 115.700 0.344 0.000 2.614 153 S HA 0.722 5.192 4.470 0.000 0.000 0.288 153 S C -1.000 173.781 174.600 0.301 0.000 1.137 153 S CA -0.292 58.135 58.200 0.379 0.000 0.992 153 S CB 1.371 64.863 63.200 0.488 0.000 1.026 153 S HN 0.439 nan 8.310 nan 0.000 0.486 154 I N 3.080 123.758 120.570 0.180 0.000 2.354 154 I HA 0.455 4.625 4.170 0.000 0.000 0.292 154 I C -0.543 175.611 176.117 0.062 0.000 0.989 154 I CA -0.219 61.155 61.300 0.122 0.000 1.188 154 I CB 1.088 39.044 38.000 -0.074 0.000 1.342 154 I HN 0.557 nan 8.210 nan 0.000 0.457 155 I N 4.897 125.580 120.570 0.188 0.000 2.382 155 I HA 0.293 4.463 4.170 0.000 0.000 0.285 155 I C -0.056 176.158 176.117 0.161 0.000 1.007 155 I CA -0.368 61.020 61.300 0.147 0.000 1.142 155 I CB 1.496 39.673 38.000 0.295 0.000 1.289 155 I HN 0.451 nan 8.210 nan 0.000 0.453 156 S N 6.714 122.445 115.700 0.051 0.000 2.528 156 S HA 0.470 4.940 4.470 0.000 0.000 0.303 156 S C -0.780 173.895 174.600 0.125 0.000 1.123 156 S CA -0.321 57.962 58.200 0.138 0.000 1.138 156 S CB 0.019 63.346 63.200 0.213 0.000 0.984 156 S HN 0.345 nan 8.310 nan 0.000 0.474 157 Y N 4.558 124.926 120.300 0.113 0.000 2.335 157 Y HA 0.417 4.967 4.550 0.000 0.000 0.323 157 Y C -1.789 174.127 175.900 0.027 0.000 1.224 157 Y CA -2.100 56.076 58.100 0.126 0.000 1.241 157 Y CB 1.065 39.627 38.460 0.169 0.000 1.235 157 Y HN 0.482 nan 8.280 nan 0.000 0.492 158 P HA 0.162 nan 4.420 nan 0.000 0.266 158 P C -1.026 176.360 177.300 0.144 0.000 1.586 158 P CA 0.397 63.525 63.100 0.047 0.000 1.088 158 P CB 0.058 31.783 31.700 0.041 0.000 1.584 159 M N 2.051 121.718 119.600 0.111 0.000 2.662 159 M HA 0.319 4.800 4.480 0.000 0.000 0.310 159 M C 0.855 177.202 176.300 0.080 0.000 1.204 159 M CA -0.985 54.383 55.300 0.114 0.000 0.891 159 M CB 1.767 34.403 32.600 0.061 0.000 1.732 159 M HN 0.007 nan 8.290 nan 0.000 0.467 160 F N 0.965 120.817 119.950 -0.164 0.000 2.163 160 F HA 0.056 4.583 4.527 0.000 0.000 0.297 160 F C 2.014 177.644 175.800 -0.283 0.000 1.094 160 F CA 1.875 59.620 58.000 -0.425 0.000 1.290 160 F CB 0.087 38.643 39.000 -0.740 0.000 1.017 160 F HN 0.470 nan 8.300 nan 0.000 0.483 161 R N -1.338 119.101 120.500 -0.102 0.000 2.195 161 R HA 0.102 4.442 4.340 0.000 0.000 0.197 161 R C 0.522 176.822 176.300 -0.000 0.000 0.990 161 R CA 0.803 56.872 56.100 -0.052 0.000 1.048 161 R CB 0.099 30.534 30.300 0.226 0.000 0.997 161 R HN 0.195 nan 8.270 nan 0.000 0.502 162 T N -1.940 112.627 114.554 0.021 0.000 2.902 162 T HA 0.492 4.842 4.350 0.000 0.000 0.283 162 T C 0.827 175.466 174.700 -0.101 0.000 1.009 162 T CA -0.293 61.779 62.100 -0.046 0.000 1.051 162 T CB 2.035 70.905 68.868 0.003 0.000 0.999 162 T HN 0.138 nan 8.240 nan 0.000 0.474 163 A N 3.133 125.862 122.820 -0.151 0.000 1.887 163 A HA 0.529 4.849 4.320 0.000 0.000 0.212 163 A C 0.216 177.835 177.584 0.057 0.000 1.198 163 A CA 1.009 53.029 52.037 -0.029 0.000 0.628 163 A CB -0.439 18.581 19.000 0.034 0.000 0.847 163 A HN 1.273 nan 8.150 nan 0.000 0.449 164 Y N -5.173 115.010 120.300 -0.196 0.000 2.851 164 Y HA 0.604 5.154 4.550 0.000 0.000 0.359 164 Y C -1.703 173.995 175.900 -0.336 0.000 1.231 164 Y CA -2.685 55.255 58.100 -0.266 0.000 1.106 164 Y CB 0.012 38.450 38.460 -0.036 0.000 1.409 164 Y HN -0.060 nan 8.280 nan 0.000 0.454 165 F N 1.517 121.693 119.950 0.376 0.000 2.495 165 F HA 0.891 5.418 4.527 0.000 0.000 0.327 165 F C 0.108 176.138 175.800 0.383 0.000 1.103 165 F CA -0.957 57.193 58.000 0.250 0.000 0.949 165 F CB 2.208 41.292 39.000 0.140 0.000 1.142 165 F HN 0.850 nan 8.300 nan 0.000 0.457 166 A N 2.541 125.701 122.820 0.566 0.000 2.330 166 A HA 0.814 5.134 4.320 0.000 0.000 0.313 166 A C -1.465 176.492 177.584 0.622 0.000 1.124 166 A CA -0.676 51.711 52.037 0.583 0.000 0.774 166 A CB 1.072 20.437 19.000 0.608 0.000 1.198 166 A HN 0.535 nan 8.150 nan 0.000 0.465 167 V N 1.904 122.141 119.914 0.538 0.000 2.444 167 V HA 0.731 4.851 4.120 0.000 0.000 0.294 167 V C 0.341 176.752 176.094 0.528 0.000 1.022 167 V CA -0.184 62.438 62.300 0.536 0.000 0.850 167 V CB 1.176 33.235 31.823 0.394 0.000 0.992 167 V HN 1.243 nan 8.190 nan 0.000 0.426 168 A N 4.055 127.146 122.820 0.452 0.000 2.380 168 A HA 0.832 5.152 4.320 0.000 0.000 0.315 168 A C -0.577 177.064 177.584 0.094 0.000 1.101 168 A CA -0.735 51.441 52.037 0.231 0.000 0.771 168 A CB 1.605 20.585 19.000 -0.033 0.000 1.287 168 A HN 0.711 nan 8.150 nan 0.000 0.436 169 N N 1.551 120.163 118.700 -0.146 0.000 2.519 169 N HA 0.216 4.956 4.740 0.000 0.000 0.286 169 N C 0.501 175.881 175.510 -0.217 0.000 1.079 169 N CA -0.104 52.603 53.050 -0.571 0.000 0.878 169 N CB 2.019 39.677 38.487 -1.382 0.000 1.375 169 N HN 0.639 nan 8.380 nan 0.000 0.514 170 V N 0.033 119.850 119.914 -0.162 0.000 3.186 170 V HA 0.036 4.156 4.120 0.000 0.000 0.270 170 V C 0.423 176.461 176.094 -0.094 0.000 1.149 170 V CA 1.296 63.524 62.300 -0.119 0.000 1.160 170 V CB -0.257 31.476 31.823 -0.150 0.000 0.758 170 V HN 0.433 nan 8.190 nan 0.000 0.516 171 D N 0.370 120.680 120.400 -0.149 0.000 2.433 171 D HA 0.163 4.803 4.640 0.000 0.000 0.211 171 D C 0.789 177.036 176.300 -0.088 0.000 1.114 171 D CA 0.367 54.301 54.000 -0.109 0.000 0.837 171 D CB -0.149 40.575 40.800 -0.127 0.000 0.984 171 D HN 0.604 nan 8.370 nan 0.000 0.505 172 N N 0.844 119.486 118.700 -0.096 0.000 2.780 172 N HA -0.195 4.545 4.740 0.000 0.000 0.247 172 N C -0.808 174.649 175.510 -0.088 0.000 1.076 172 N CA 0.591 53.595 53.050 -0.077 0.000 0.688 172 N CB -0.884 37.587 38.487 -0.027 0.000 0.957 172 N HN 0.175 nan 8.380 nan 0.000 0.551 173 K N 0.089 120.404 120.400 -0.142 0.000 2.267 173 K HA 0.457 4.777 4.320 0.000 0.000 0.236 173 K C -0.123 176.560 176.600 0.137 0.000 1.030 173 K CA -0.765 55.517 56.287 -0.008 0.000 0.930 173 K CB 0.871 33.395 32.500 0.041 0.000 1.182 173 K HN 0.195 nan 8.250 nan 0.000 0.474 174 E N 1.315 121.662 120.200 0.245 0.000 2.191 174 E HA 0.244 4.594 4.350 0.000 0.000 0.274 174 E C -0.281 176.560 176.600 0.402 0.000 0.948 174 E CA -0.666 55.901 56.400 0.279 0.000 0.802 174 E CB 1.375 31.156 29.700 0.135 0.000 1.137 174 E HN 0.392 nan 8.360 nan 0.000 0.397 175 I N -0.051 120.669 120.570 0.251 0.000 2.754 175 I HA 0.101 4.271 4.170 0.000 0.000 0.285 175 I C 0.589 176.672 176.117 -0.055 0.000 1.166 175 I CA -0.385 60.831 61.300 -0.140 0.000 1.417 175 I CB 0.377 38.118 38.000 -0.431 0.000 1.382 175 I HN 0.343 nan 8.210 nan 0.000 0.588 176 S N 4.821 120.466 115.700 -0.091 0.000 2.730 176 S HA 0.344 4.814 4.470 0.000 0.000 0.284 176 S C 0.633 175.192 174.600 -0.069 0.000 1.153 176 S CA -0.861 57.318 58.200 -0.034 0.000 0.995 176 S CB 1.694 64.897 63.200 0.005 0.000 1.058 176 S HN 0.745 nan 8.310 nan 0.000 0.552 177 L N 0.738 121.945 121.223 -0.027 0.000 2.083 177 L HA -0.045 4.295 4.340 0.000 0.000 0.209 177 L C 1.788 178.650 176.870 -0.014 0.000 1.083 177 L CA 2.003 56.834 54.840 -0.016 0.000 0.752 177 L CB -1.167 40.897 42.059 0.008 0.000 0.899 177 L HN 0.751 nan 8.230 nan 0.000 0.433 178 D N -0.622 119.769 120.400 -0.015 0.000 2.084 178 D HA -0.170 4.470 4.640 0.000 0.000 0.194 178 D C 2.233 178.513 176.300 -0.034 0.000 0.990 178 D CA 1.975 55.972 54.000 -0.005 0.000 0.826 178 D CB -0.259 40.541 40.800 0.000 0.000 0.971 178 D HN 0.309 nan 8.370 nan 0.000 0.453 179 V N 1.326 121.166 119.914 -0.123 0.000 2.392 179 V HA -0.224 3.896 4.120 0.000 0.000 0.249 179 V C 2.566 178.568 176.094 -0.152 0.000 1.059 179 V CA 1.802 63.958 62.300 -0.240 0.000 1.051 179 V CB -0.887 30.524 31.823 -0.687 0.000 0.658 179 V HN 0.200 nan 8.190 nan 0.000 0.455 180 T N 0.251 114.703 114.554 -0.170 0.000 2.708 180 T HA -0.160 4.190 4.350 0.000 0.000 0.266 180 T C 1.871 176.529 174.700 -0.071 0.000 1.037 180 T CA 1.606 63.617 62.100 -0.149 0.000 1.146 180 T CB -0.371 68.425 68.868 -0.119 0.000 0.865 180 T HN 0.463 nan 8.240 nan 0.000 0.435 181 N N 1.312 120.032 118.700 0.032 0.000 2.188 181 N HA -0.094 4.646 4.740 0.000 0.000 0.184 181 N C 1.468 177.076 175.510 0.164 0.000 1.018 181 N CA 1.004 54.157 53.050 0.171 0.000 0.858 181 N CB -0.334 38.287 38.487 0.224 0.000 0.989 181 N HN 0.361 nan 8.380 nan 0.000 0.426 182 D N 1.121 121.602 120.400 0.134 0.000 2.178 182 D HA -0.082 4.558 4.640 0.000 0.000 0.201 182 D C 2.033 178.482 176.300 0.248 0.000 0.980 182 D CA 0.191 54.321 54.000 0.217 0.000 0.842 182 D CB -0.086 40.840 40.800 0.210 0.000 0.948 182 D HN 0.226 nan 8.370 nan 0.000 0.472 183 L N 0.411 121.645 121.223 0.018 0.000 2.044 183 L HA -0.089 4.251 4.340 0.000 0.000 0.205 183 L C 2.268 178.993 176.870 -0.241 0.000 1.075 183 L CA 0.788 55.352 54.840 -0.460 0.000 0.747 183 L CB -0.113 41.506 42.059 -0.733 0.000 0.903 183 L HN -0.021 nan 8.230 nan 0.000 0.435 184 I N -0.856 119.585 120.570 -0.216 0.000 2.127 184 I HA -0.303 3.868 4.170 0.000 0.000 0.241 184 I C 2.487 178.549 176.117 -0.091 0.000 1.075 184 I CA 1.245 62.373 61.300 -0.286 0.000 1.334 184 I CB -0.433 37.148 38.000 -0.700 0.000 1.040 184 I HN 0.076 nan 8.210 nan 0.000 0.405 185 V N -0.056 119.920 119.914 0.102 0.000 2.332 185 V HA -0.313 3.807 4.120 0.000 0.000 0.248 185 V C 2.156 178.360 176.094 0.184 0.000 1.055 185 V CA 2.162 64.595 62.300 0.221 0.000 1.038 185 V CB -0.791 31.202 31.823 0.283 0.000 0.651 185 V HN 0.594 nan 8.190 nan 0.000 0.450 186 W N 0.281 121.591 121.300 0.017 0.000 2.335 186 W HA -0.185 4.476 4.660 0.000 0.000 0.311 186 W C 2.239 178.738 176.519 -0.033 0.000 1.213 186 W CA 1.836 59.191 57.345 0.018 0.000 1.274 186 W CB -0.185 29.291 29.460 0.028 0.000 1.148 186 W HN 0.139 nan 8.180 nan 0.000 0.498 187 L N 0.301 121.640 121.223 0.194 0.000 2.072 187 L HA -0.202 4.138 4.340 0.000 0.000 0.205 187 L C 1.999 178.862 176.870 -0.011 0.000 1.079 187 L CA 1.262 56.144 54.840 0.070 0.000 0.752 187 L CB -0.994 41.090 42.059 0.042 0.000 0.906 187 L HN -0.043 nan 8.230 nan 0.000 0.436 188 N N 0.135 118.838 118.700 0.004 0.000 2.453 188 N HA -0.110 4.630 4.740 0.000 0.000 0.183 188 N C 0.890 176.361 175.510 -0.064 0.000 1.041 188 N CA 0.821 53.843 53.050 -0.047 0.000 0.900 188 N CB -0.154 38.324 38.487 -0.015 0.000 0.961 188 N HN 0.336 nan 8.380 nan 0.000 0.443 189 N N 0.009 118.668 118.700 -0.070 0.000 2.200 189 N HA 0.123 4.863 4.740 0.000 0.000 0.224 189 N C -0.363 175.058 175.510 -0.149 0.000 1.179 189 N CA -0.130 52.873 53.050 -0.077 0.000 0.877 189 N CB 1.023 39.497 38.487 -0.021 0.000 1.072 189 N HN 0.178 nan 8.380 nan 0.000 0.519 190 L N 1.459 122.537 121.223 -0.242 0.000 2.667 190 L HA -0.096 4.244 4.340 0.000 0.000 0.278 190 L C 1.663 178.450 176.870 -0.139 0.000 1.217 190 L CA -0.280 54.371 54.840 -0.315 0.000 0.935 190 L CB 0.564 42.437 42.059 -0.310 0.000 1.193 190 L HN 0.169 nan 8.230 nan 0.000 0.493 191 A N 3.075 125.818 122.820 -0.129 0.000 1.898 191 A HA -0.096 4.224 4.320 0.000 0.000 0.216 191 A C 1.327 178.913 177.584 0.003 0.000 1.181 191 A CA 1.566 53.578 52.037 -0.042 0.000 0.620 191 A CB -0.008 18.962 19.000 -0.050 0.000 0.819 191 A HN 0.600 nan 8.150 nan 0.000 0.442 192 S N -0.453 115.240 115.700 -0.012 0.000 2.312 192 S HA 0.305 4.775 4.470 0.000 0.000 0.173 192 S C 0.463 175.090 174.600 0.045 0.000 1.488 192 S CA -0.172 58.050 58.200 0.036 0.000 1.239 192 S CB -0.282 62.907 63.200 -0.019 0.000 1.215 192 S HN 0.585 nan 8.310 nan 0.000 0.438 193 W N 4.870 126.112 121.300 -0.097 0.000 2.350 193 W HA -0.110 4.550 4.660 0.000 0.000 0.289 193 W C 1.074 177.590 176.519 -0.004 0.000 1.215 193 W CA 0.773 58.068 57.345 -0.082 0.000 1.236 193 W CB -0.748 28.692 29.460 -0.034 0.000 1.130 193 W HN 0.552 nan 8.180 nan 0.000 0.541 194 R N 0.865 120.998 120.500 -0.611 0.000 2.105 194 R HA -0.146 4.194 4.340 0.000 0.000 0.239 194 R C 1.694 177.853 176.300 -0.235 0.000 1.135 194 R CA 1.878 57.629 56.100 -0.581 0.000 0.967 194 R CB -0.759 29.263 30.300 -0.463 0.000 0.861 194 R HN 0.246 nan 8.270 nan 0.000 0.442 195 D N 0.143 120.456 120.400 -0.145 0.000 2.123 195 D HA -0.079 4.561 4.640 0.000 0.000 0.200 195 D C 2.034 178.321 176.300 -0.023 0.000 0.976 195 D CA 0.857 54.820 54.000 -0.061 0.000 0.831 195 D CB -0.011 40.770 40.800 -0.032 0.000 0.974 195 D HN -0.013 nan 8.370 nan 0.000 0.469 196 V N 1.005 120.862 119.914 -0.095 0.000 2.407 196 V HA -0.186 3.934 4.120 0.000 0.000 0.248 196 V C 2.644 178.708 176.094 -0.050 0.000 1.055 196 V CA 0.983 63.158 62.300 -0.208 0.000 1.049 196 V CB -0.394 31.204 31.823 -0.374 0.000 0.662 196 V HN 0.038 nan 8.190 nan 0.000 0.455 197 V N 0.061 119.921 119.914 -0.089 0.000 2.283 197 V HA -0.192 3.928 4.120 0.000 0.000 0.243 197 V C 2.201 178.239 176.094 -0.094 0.000 1.039 197 V CA 2.011 64.227 62.300 -0.139 0.000 1.016 197 V CB -0.660 30.961 31.823 -0.338 0.000 0.650 197 V HN 0.515 nan 8.190 nan 0.000 0.449 198 D N 0.906 121.278 120.400 -0.048 0.000 2.311 198 D HA -0.072 4.568 4.640 0.000 0.000 0.212 198 D C 1.115 177.427 176.300 0.020 0.000 0.972 198 D CA 1.244 55.248 54.000 0.007 0.000 0.887 198 D CB -0.179 40.627 40.800 0.009 0.000 0.915 198 D HN 0.601 nan 8.370 nan 0.000 0.497 199 S N -0.692 115.044 115.700 0.060 0.000 2.532 199 S HA 0.472 4.942 4.470 0.000 0.000 0.318 199 S C 1.076 175.725 174.600 0.082 0.000 1.083 199 S CA -0.755 57.492 58.200 0.079 0.000 1.131 199 S CB 1.383 64.674 63.200 0.151 0.000 0.973 199 S HN 0.058 nan 8.310 nan 0.000 0.468 200 G N 2.790 111.584 108.800 -0.010 0.000 3.122 200 G HA2 -0.015 3.945 3.960 0.000 0.000 0.201 200 G HA3 -0.015 3.945 3.960 0.000 0.000 0.201 200 G C 0.480 175.314 174.900 -0.110 0.000 1.214 200 G CA -0.053 44.993 45.100 -0.091 0.000 1.027 200 G HN 0.667 nan 8.290 nan 0.000 0.499 201 Q N -0.922 118.893 119.800 0.024 0.000 2.354 201 Q HA 0.160 4.500 4.340 0.000 0.000 0.244 201 Q C -0.420 175.633 176.000 0.087 0.000 0.969 201 Q CA -0.274 55.514 55.803 -0.025 0.000 0.885 201 Q CB 1.105 29.727 28.738 -0.192 0.000 1.241 201 Q HN 0.502 nan 8.270 nan 0.000 0.461 202 W N 1.366 122.683 121.300 0.029 0.000 2.316 202 W HA 0.328 4.988 4.660 0.000 0.000 0.311 202 W C -0.498 176.133 176.519 0.187 0.000 1.217 202 W CA -0.372 57.078 57.345 0.176 0.000 1.199 202 W CB 0.660 30.111 29.460 -0.015 0.000 1.202 202 W HN 0.382 nan 8.180 nan 0.000 0.528 203 F N 1.580 121.855 119.950 0.541 0.000 2.508 203 F HA 0.409 4.936 4.527 0.000 0.000 0.325 203 F C 0.605 176.532 175.800 0.211 0.000 1.090 203 F CA -0.951 57.269 58.000 0.365 0.000 0.945 203 F CB 1.541 40.744 39.000 0.340 0.000 1.156 203 F HN -0.039 nan 8.300 nan 0.000 0.463 204 T N 3.929 118.587 114.554 0.173 0.000 2.845 204 T HA 0.271 4.622 4.350 0.000 0.000 0.288 204 T C 0.281 174.878 174.700 -0.172 0.000 0.980 204 T CA -0.207 61.728 62.100 -0.275 0.000 1.071 204 T CB 0.399 69.007 68.868 -0.433 0.000 0.941 204 T HN 0.494 nan 8.240 nan 0.000 0.487 205 F N -0.009 119.751 119.950 -0.316 0.000 2.746 205 F HA 0.636 5.163 4.527 0.000 0.000 0.320 205 F C 0.553 176.295 175.800 -0.098 0.000 1.097 205 F CA -0.836 56.956 58.000 -0.347 0.000 1.195 205 F CB 0.181 38.676 39.000 -0.841 0.000 1.056 205 F HN 0.449 nan 8.300 nan 0.000 0.562 206 S N -0.006 115.354 115.700 -0.566 0.000 2.715 206 S HA 0.297 4.767 4.470 0.000 0.000 0.307 206 S C 0.620 175.122 174.600 -0.163 0.000 1.119 206 S CA -0.490 57.528 58.200 -0.304 0.000 0.937 206 S CB 1.025 63.938 63.200 -0.478 0.000 1.150 206 S HN 0.179 nan 8.310 nan 0.000 0.521 207 D N 0.853 121.212 120.400 -0.070 0.000 2.117 207 D HA -0.076 4.564 4.640 0.000 0.000 0.197 207 D C 0.152 176.420 176.300 -0.054 0.000 0.987 207 D CA 0.958 54.938 54.000 -0.032 0.000 0.829 207 D CB -0.294 40.505 40.800 -0.001 0.000 0.961 207 D HN 0.521 nan 8.370 nan 0.000 0.460 208 D N 0.937 121.309 120.400 -0.045 0.000 2.382 208 D HA 0.008 4.648 4.640 0.000 0.000 0.259 208 D C -1.780 174.443 176.300 -0.129 0.000 1.224 208 D CA -1.575 52.422 54.000 -0.005 0.000 0.894 208 D CB 1.712 42.630 40.800 0.197 0.000 1.127 208 D HN -0.037 nan 8.370 nan 0.000 0.487 209 P HA -0.007 nan 4.420 nan 0.000 0.241 209 P C 0.945 178.035 177.300 -0.350 0.000 1.191 209 P CA 0.666 63.619 63.100 -0.246 0.000 0.771 209 P CB 0.169 31.796 31.700 -0.122 0.000 0.929 210 T N -6.377 108.005 114.554 -0.287 0.000 3.129 210 T HA 0.029 4.379 4.350 0.000 0.000 0.251 210 T C 0.093 174.511 174.700 -0.469 0.000 1.117 210 T CA -0.264 61.663 62.100 -0.289 0.000 1.034 210 T CB -0.560 68.120 68.868 -0.314 0.000 0.968 210 T HN -0.037 nan 8.240 nan 0.000 0.526 211 W N 1.072 122.034 121.300 -0.563 0.000 2.433 211 W HA 0.661 5.321 4.660 0.000 0.000 0.315 211 W C -1.002 174.966 176.519 -0.918 0.000 1.087 211 W CA -1.414 55.603 57.345 -0.546 0.000 1.205 211 W CB 0.814 29.874 29.460 -0.666 0.000 1.288 211 W HN -0.047 nan 8.180 nan 0.000 0.504 212 F N 2.082 122.133 119.950 0.168 0.000 2.599 212 F HA 0.681 5.208 4.527 0.000 0.000 0.311 212 F C 0.050 176.222 175.800 0.621 0.000 1.076 212 F CA -1.504 56.657 58.000 0.269 0.000 0.937 212 F CB 0.991 39.986 39.000 -0.008 0.000 1.282 212 F HN 0.089 nan 8.300 nan 0.000 0.460 213 V N -0.247 120.139 119.914 0.787 0.000 3.126 213 V HA 0.843 4.963 4.120 0.000 0.000 0.314 213 V C -0.991 175.467 176.094 0.607 0.000 1.138 213 V CA -1.072 61.547 62.300 0.532 0.000 1.034 213 V CB 2.242 33.999 31.823 -0.111 0.000 1.075 213 V HN 0.909 nan 8.190 nan 0.000 0.442 214 R N 1.180 121.913 120.500 0.389 0.000 2.560 214 R HA 0.584 4.924 4.340 0.000 0.000 0.267 214 R C -2.215 174.158 176.300 0.122 0.000 1.150 214 R CA -0.589 55.598 56.100 0.145 0.000 0.997 214 R CB 1.804 31.882 30.300 -0.369 0.000 1.250 214 R HN 0.898 nan 8.270 nan 0.000 0.433 215 I N 5.145 125.778 120.570 0.104 0.000 2.321 215 I HA 0.430 4.600 4.170 0.000 0.000 0.291 215 I C 0.238 176.198 176.117 -0.263 0.000 0.998 215 I CA -0.804 60.548 61.300 0.087 0.000 1.227 215 I CB 1.286 39.468 38.000 0.303 0.000 1.368 215 I HN 0.341 nan 8.210 nan 0.000 0.466 216 R N 5.284 125.458 120.500 -0.542 0.000 2.474 216 R HA 0.715 5.055 4.340 0.000 0.000 0.295 216 R C -0.824 175.126 176.300 -0.585 0.000 0.980 216 R CA -0.776 54.834 56.100 -0.817 0.000 0.934 216 R CB 2.647 32.184 30.300 -1.272 0.000 1.101 216 R HN 0.354 nan 8.270 nan 0.000 0.469 217 V N 2.995 122.573 119.914 -0.560 0.000 3.113 217 V HA 0.452 4.572 4.120 0.000 0.000 0.316 217 V C -0.691 175.164 176.094 -0.398 0.000 1.125 217 V CA -1.032 60.947 62.300 -0.535 0.000 1.026 217 V CB 2.413 33.602 31.823 -1.056 0.000 1.080 217 V HN 0.554 nan 8.190 nan 0.000 0.444 218 L N 4.556 125.592 121.223 -0.312 0.000 2.314 218 L HA 0.433 4.773 4.340 0.000 0.000 0.275 218 L C 1.321 178.096 176.870 -0.158 0.000 1.068 218 L CA -0.598 54.129 54.840 -0.188 0.000 0.894 218 L CB 0.366 42.342 42.059 -0.139 0.000 1.275 218 L HN 0.749 nan 8.230 nan 0.000 0.432 219 H N 1.934 121.028 119.070 0.039 0.000 2.321 219 H HA -0.159 4.397 4.556 0.000 0.000 0.295 219 H C -0.597 174.782 175.328 0.085 0.000 1.102 219 H CA 1.911 58.024 56.048 0.108 0.000 1.266 219 H CB -1.077 28.734 29.762 0.081 0.000 1.363 219 H HN 0.465 nan 8.280 nan 0.000 0.492 220 P HA -0.142 nan 4.420 nan 0.000 0.217 220 P C 1.671 179.029 177.300 0.097 0.000 1.151 220 P CA 2.832 65.996 63.100 0.106 0.000 0.849 220 P CB -0.080 31.659 31.700 0.065 0.000 0.787 221 T N -5.900 108.627 114.554 -0.045 0.000 3.034 221 T HA -0.019 4.331 4.350 0.000 0.000 0.248 221 T C 1.788 176.452 174.700 -0.061 0.000 1.040 221 T CA 0.073 62.062 62.100 -0.185 0.000 1.107 221 T CB -1.234 67.130 68.868 -0.840 0.000 0.932 221 T HN -0.014 nan 8.240 nan 0.000 0.474 222 Y N 2.841 123.056 120.300 -0.141 0.000 2.200 222 Y HA -0.038 4.512 4.550 0.000 0.000 0.290 222 Y C 1.531 177.410 175.900 -0.034 0.000 1.137 222 Y CA 1.607 59.653 58.100 -0.090 0.000 1.163 222 Y CB -0.606 37.755 38.460 -0.165 0.000 0.988 222 Y HN 0.089 nan 8.280 nan 0.000 0.518 223 D N 0.804 121.240 120.400 0.060 0.000 2.357 223 D HA -0.107 4.533 4.640 0.000 0.000 0.216 223 D C 0.015 176.268 176.300 -0.079 0.000 0.973 223 D CA 0.968 54.963 54.000 -0.010 0.000 0.912 223 D CB -0.350 40.526 40.800 0.126 0.000 0.900 223 D HN 0.277 nan 8.370 nan 0.000 0.501 224 L N 1.040 122.226 121.223 -0.061 0.000 2.305 224 L HA 0.275 4.615 4.340 0.000 0.000 0.281 224 L C -1.928 174.879 176.870 -0.105 0.000 1.085 224 L CA -1.892 52.915 54.840 -0.055 0.000 0.813 224 L CB 0.808 42.859 42.059 -0.013 0.000 1.157 224 L HN -0.246 nan 8.230 nan 0.000 0.436 225 P HA -0.134 nan 4.420 nan 0.000 0.264 225 P C -0.680 176.588 177.300 -0.054 0.000 1.173 225 P CA 0.006 63.051 63.100 -0.091 0.000 0.761 225 P CB 0.323 31.983 31.700 -0.066 0.000 0.794 226 D N 4.034 124.411 120.400 -0.039 0.000 2.450 226 D HA -0.013 4.627 4.640 0.000 0.000 0.247 226 D C -1.368 174.955 176.300 0.038 0.000 1.162 226 D CA -1.506 52.510 54.000 0.027 0.000 0.879 226 D CB 0.642 41.478 40.800 0.060 0.000 1.163 226 D HN 0.132 nan 8.370 nan 0.000 0.472 227 P HA -0.169 nan 4.420 nan 0.000 0.218 227 P C 1.193 178.555 177.300 0.103 0.000 1.152 227 P CA 1.494 64.643 63.100 0.083 0.000 0.857 227 P CB 0.193 31.960 31.700 0.111 0.000 0.787 228 T N -1.127 113.497 114.554 0.117 0.000 2.777 228 T HA -0.127 4.223 4.350 0.000 0.000 0.266 228 T C 1.245 175.952 174.700 0.013 0.000 1.040 228 T CA 1.328 63.473 62.100 0.074 0.000 1.141 228 T CB -0.464 68.448 68.868 0.072 0.000 0.868 228 T HN 0.248 nan 8.240 nan 0.000 0.444 229 E N 0.127 120.327 120.200 -0.000 0.000 2.496 229 E HA 0.399 4.749 4.350 0.000 0.000 0.200 229 E C 0.381 176.962 176.600 -0.032 0.000 1.016 229 E CA -0.426 55.956 56.400 -0.031 0.000 0.962 229 E CB 0.696 30.365 29.700 -0.051 0.000 1.071 229 E HN 0.442 nan 8.360 nan 0.000 0.457 230 G N -0.933 107.857 108.800 -0.016 0.000 2.727 230 G HA2 0.359 4.319 3.960 0.000 0.000 0.289 230 G HA3 0.359 4.319 3.960 0.000 0.000 0.289 230 G C -0.162 174.732 174.900 -0.010 0.000 1.418 230 G CA -0.637 44.450 45.100 -0.021 0.000 0.818 230 G HN 0.100 nan 8.290 nan 0.000 0.486 231 L N -0.391 120.822 121.223 -0.016 0.000 2.664 231 L HA 0.378 4.718 4.340 0.000 0.000 0.233 231 L C 0.616 177.475 176.870 -0.018 0.000 1.113 231 L CA 0.089 54.923 54.840 -0.011 0.000 0.896 231 L CB 0.088 42.139 42.059 -0.012 0.000 1.163 231 L HN 0.141 nan 8.230 nan 0.000 0.497 232 L N 0.351 121.555 121.223 -0.031 0.000 2.418 232 L HA 0.283 4.623 4.340 0.000 0.000 0.265 232 L C -0.109 176.729 176.870 -0.054 0.000 1.143 232 L CA -0.141 54.667 54.840 -0.053 0.000 0.809 232 L CB 0.886 42.904 42.059 -0.068 0.000 1.124 232 L HN 0.051 nan 8.230 nan 0.000 0.456 233 R N -0.979 119.470 120.500 -0.085 0.000 2.774 233 R HA 0.397 4.737 4.340 0.000 0.000 0.272 233 R C 0.257 176.466 176.300 -0.151 0.000 1.000 233 R CA -0.125 55.931 56.100 -0.072 0.000 0.906 233 R CB 1.801 32.082 30.300 -0.032 0.000 1.227 233 R HN 0.729 nan 8.270 nan 0.000 0.468 234 T N -2.354 112.157 114.554 -0.072 0.000 3.395 234 T HA 0.390 4.740 4.350 0.000 0.000 0.230 234 T C 0.681 175.482 174.700 0.169 0.000 0.958 234 T CA 0.844 62.919 62.100 -0.041 0.000 1.377 234 T CB -0.253 68.777 68.868 0.271 0.000 1.124 234 T HN 0.380 nan 8.240 nan 0.000 0.425 235 V N -0.261 119.768 119.914 0.192 0.000 3.159 235 V HA 0.737 4.857 4.120 0.000 0.000 0.308 235 V C 1.079 177.211 176.094 0.063 0.000 1.190 235 V CA -0.301 62.121 62.300 0.204 0.000 1.037 235 V CB 1.554 33.581 31.823 0.339 0.000 1.060 235 V HN 0.557 nan 8.190 nan 0.000 0.437 236 S N 0.706 116.442 115.700 0.060 0.000 2.336 236 S HA 0.108 4.578 4.470 0.000 0.000 0.216 236 S C 0.280 174.863 174.600 -0.027 0.000 1.032 236 S CA 1.006 59.207 58.200 0.002 0.000 0.973 236 S CB -0.374 62.835 63.200 0.016 0.000 0.888 236 S HN 0.872 nan 8.310 nan 0.000 0.455 237 D N 0.382 120.779 120.400 -0.004 0.000 2.342 237 D HA 0.692 5.332 4.640 0.000 0.000 0.243 237 D C -0.732 175.596 176.300 0.046 0.000 1.019 237 D CA -0.563 53.414 54.000 -0.038 0.000 0.864 237 D CB 1.653 42.408 40.800 -0.075 0.000 1.315 237 D HN 0.550 nan 8.370 nan 0.000 0.468 238 Y N -1.448 118.787 120.300 -0.108 0.000 2.818 238 Y HA 0.746 5.296 4.550 0.000 0.000 0.322 238 Y C -1.389 174.537 175.900 0.044 0.000 1.323 238 Y CA -1.296 56.805 58.100 0.001 0.000 1.090 238 Y CB 1.546 39.923 38.460 -0.138 0.000 1.328 238 Y HN 0.364 nan 8.280 nan 0.000 0.482 239 R N 1.795 122.368 120.500 0.121 0.000 2.563 239 R HA 0.461 4.801 4.340 0.000 0.000 0.262 239 R C -2.357 174.177 176.300 0.389 0.000 1.128 239 R CA -0.774 55.362 56.100 0.060 0.000 0.969 239 R CB 1.174 31.515 30.300 0.069 0.000 1.251 239 R HN 0.892 nan 8.270 nan 0.000 0.442 240 L N 2.977 124.444 121.223 0.407 0.000 2.380 240 L HA 0.253 4.593 4.340 0.000 0.000 0.273 240 L C 1.452 178.537 176.870 0.359 0.000 1.138 240 L CA -0.118 54.974 54.840 0.421 0.000 0.832 240 L CB 1.640 43.920 42.059 0.368 0.000 1.124 240 L HN 0.984 nan 8.230 nan 0.000 0.454 241 T N -1.266 113.445 114.554 0.261 0.000 3.040 241 T HA 0.169 4.519 4.350 0.000 0.000 0.250 241 T C -0.249 174.822 174.700 0.618 0.000 1.058 241 T CA -0.021 62.273 62.100 0.322 0.000 0.988 241 T CB 0.067 69.082 68.868 0.244 0.000 0.993 241 T HN 0.576 nan 8.240 nan 0.000 0.519 242 Y N -1.649 118.917 120.300 0.444 0.000 2.755 242 Y HA 0.637 5.187 4.550 0.000 0.000 0.368 242 Y C -1.562 174.504 175.900 0.275 0.000 1.177 242 Y CA -2.130 56.182 58.100 0.354 0.000 1.290 242 Y CB 0.406 39.018 38.460 0.254 0.000 1.415 242 Y HN 0.171 nan 8.280 nan 0.000 0.501 243 K N 2.102 122.781 120.400 0.464 0.000 2.569 243 K HA 0.748 5.069 4.320 0.000 0.000 0.259 243 K C -1.878 174.973 176.600 0.419 0.000 0.932 243 K CA -0.192 56.334 56.287 0.399 0.000 0.833 243 K CB 2.035 34.664 32.500 0.216 0.000 1.340 243 K HN 1.430 nan 8.250 nan 0.000 0.429 244 S N 4.112 120.044 115.700 0.388 0.000 2.543 244 S HA 0.588 5.058 4.470 0.000 0.000 0.271 244 S C -0.935 173.854 174.600 0.316 0.000 1.148 244 S CA -0.861 57.505 58.200 0.276 0.000 0.914 244 S CB 0.835 64.129 63.200 0.157 0.000 1.096 244 S HN 0.517 nan 8.310 nan 0.000 0.471 245 I N 2.705 123.404 120.570 0.214 0.000 2.433 245 I HA 0.511 4.681 4.170 0.000 0.000 0.292 245 I C -0.032 176.196 176.117 0.184 0.000 1.001 245 I CA -0.502 60.904 61.300 0.176 0.000 1.119 245 I CB 2.346 40.375 38.000 0.049 0.000 1.289 245 I HN 0.850 nan 8.210 nan 0.000 0.438 246 T N 4.739 119.418 114.554 0.209 0.000 2.786 246 T HA 0.408 4.758 4.350 0.000 0.000 0.283 246 T C -0.697 174.028 174.700 0.042 0.000 0.992 246 T CA -0.469 61.745 62.100 0.191 0.000 0.954 246 T CB 0.526 69.498 68.868 0.174 0.000 0.934 246 T HN 0.624 nan 8.240 nan 0.000 0.440 247 C N 5.699 124.992 119.300 -0.011 0.000 2.225 247 C HA 0.451 4.911 4.460 0.000 0.000 0.328 247 C C 0.587 175.528 174.990 -0.082 0.000 1.187 247 C CA -0.863 58.125 59.018 -0.050 0.000 1.665 247 C CB -1.274 26.484 27.740 0.030 0.000 2.253 247 C HN 0.859 nan 8.230 nan 0.000 0.497 248 E N 1.567 121.721 120.200 -0.076 0.000 2.259 248 E HA 0.430 4.780 4.350 0.000 0.000 0.281 248 E C -0.013 176.532 176.600 -0.091 0.000 1.027 248 E CA -0.122 56.237 56.400 -0.068 0.000 0.838 248 E CB 0.980 30.657 29.700 -0.038 0.000 1.066 248 E HN 0.783 nan 8.360 nan 0.000 0.401 249 A N 3.999 126.777 122.820 -0.070 0.000 2.807 249 A HA 0.076 4.396 4.320 0.000 0.000 0.307 249 A C 0.060 177.634 177.584 -0.016 0.000 1.532 249 A CA -0.458 51.542 52.037 -0.063 0.000 1.215 249 A CB -0.704 18.289 19.000 -0.012 0.000 1.127 249 A HN 0.556 nan 8.150 nan 0.000 0.543 250 N N 3.577 122.270 118.700 -0.011 0.000 2.549 250 N HA 0.305 5.045 4.740 0.000 0.000 0.267 250 N C -0.143 175.387 175.510 0.032 0.000 1.182 250 N CA 0.123 53.182 53.050 0.014 0.000 1.019 250 N CB -0.096 38.404 38.487 0.020 0.000 1.380 250 N HN 0.663 nan 8.380 nan 0.000 0.505 251 M N 1.864 121.485 119.600 0.034 0.000 2.484 251 M HA 0.623 5.103 4.480 0.000 0.000 0.289 251 M C -3.066 173.258 176.300 0.039 0.000 1.206 251 M CA -1.725 53.602 55.300 0.046 0.000 0.892 251 M CB 2.119 34.754 32.600 0.059 0.000 1.712 251 M HN 0.079 nan 8.290 nan 0.000 0.462 252 P HA 0.260 nan 4.420 nan 0.000 0.280 252 P C 0.272 177.593 177.300 0.036 0.000 1.244 252 P CA 0.007 63.125 63.100 0.031 0.000 0.784 252 P CB 0.836 32.551 31.700 0.026 0.000 0.913 253 T N 2.223 116.797 114.554 0.033 0.000 2.869 253 T HA -0.172 4.178 4.350 0.000 0.000 0.270 253 T C 1.642 176.363 174.700 0.035 0.000 1.082 253 T CA 1.144 63.266 62.100 0.036 0.000 1.123 253 T CB -0.422 68.465 68.868 0.030 0.000 0.856 253 T HN 0.340 nan 8.240 nan 0.000 0.499 254 L N 1.982 123.223 121.223 0.031 0.000 2.012 254 L HA -0.024 4.316 4.340 0.000 0.000 0.210 254 L C 1.289 178.180 176.870 0.035 0.000 1.073 254 L CA 1.566 56.423 54.840 0.029 0.000 0.748 254 L CB -0.284 41.789 42.059 0.023 0.000 0.891 254 L HN 0.257 nan 8.230 nan 0.000 0.431 255 V N -1.882 118.057 119.914 0.042 0.000 2.454 255 V HA 0.389 4.509 4.120 0.000 0.000 0.255 255 V C -0.427 175.706 176.094 0.065 0.000 1.009 255 V CA -0.075 62.256 62.300 0.051 0.000 1.149 255 V CB -0.268 31.585 31.823 0.050 0.000 1.418 255 V HN 0.476 nan 8.190 nan 0.000 0.567 256 D N 0.414 120.854 120.400 0.066 0.000 2.561 256 D HA 0.165 4.805 4.640 0.000 0.000 0.232 256 D C 0.460 176.818 176.300 0.097 0.000 1.198 256 D CA -0.234 53.813 54.000 0.078 0.000 0.826 256 D CB 0.199 41.041 40.800 0.071 0.000 0.992 256 D HN 0.689 nan 8.370 nan 0.000 0.490 257 Q N 0.023 119.882 119.800 0.098 0.000 2.318 257 Q HA 0.650 4.990 4.340 0.000 0.000 0.222 257 Q C 0.722 176.808 176.000 0.144 0.000 1.003 257 Q CA -0.659 55.216 55.803 0.120 0.000 0.936 257 Q CB 0.876 29.677 28.738 0.105 0.000 1.204 257 Q HN 0.232 nan 8.270 nan 0.000 0.524 258 G N -0.283 108.640 108.800 0.205 0.000 2.465 258 G HA2 0.308 4.268 3.960 0.000 0.000 0.681 258 G HA3 0.308 4.268 3.960 0.000 0.000 0.681 258 G C -1.400 173.709 174.900 0.349 0.000 1.340 258 G CA -0.669 44.549 45.100 0.196 0.000 0.884 258 G HN 0.905 nan 8.290 nan 0.000 0.650 259 F N -0.644 119.415 119.950 0.182 0.000 2.599 259 F HA 0.957 5.484 4.527 0.000 0.000 0.311 259 F C -0.169 175.844 175.800 0.354 0.000 1.076 259 F CA -1.692 56.426 58.000 0.197 0.000 0.937 259 F CB 1.478 40.502 39.000 0.041 0.000 1.282 259 F HN 0.900 nan 8.300 nan 0.000 0.460 260 W N 2.512 123.958 121.300 0.243 0.000 3.017 260 W HA 0.875 5.535 4.660 0.000 0.000 0.341 260 W C -2.243 174.234 176.519 -0.070 0.000 1.180 260 W CA -1.674 55.644 57.345 -0.046 0.000 1.097 260 W CB 1.413 30.526 29.460 -0.578 0.000 1.468 260 W HN 0.942 nan 8.180 nan 0.000 0.584 261 I N 0.811 121.278 120.570 -0.171 0.000 2.841 261 I HA 0.728 4.898 4.170 0.000 0.000 0.298 261 I C -0.810 175.210 176.117 -0.161 0.000 1.304 261 I CA -0.453 60.625 61.300 -0.370 0.000 1.019 261 I CB 2.211 39.763 38.000 -0.746 0.000 1.282 261 I HN 0.733 nan 8.210 nan 0.000 0.432 262 G N 3.446 112.197 108.800 -0.083 0.000 2.690 262 G HA2 0.805 4.765 3.960 0.000 0.000 0.293 262 G HA3 0.805 4.765 3.960 0.000 0.000 0.293 262 G C -1.370 173.437 174.900 -0.155 0.000 1.399 262 G CA -0.422 44.605 45.100 -0.121 0.000 0.890 262 G HN 0.999 nan 8.290 nan 0.000 0.485 263 G N -0.876 107.796 108.800 -0.213 0.000 2.601 263 G HA2 0.561 4.521 3.960 0.000 0.000 0.291 263 G HA3 0.561 4.521 3.960 0.000 0.000 0.291 263 G C -2.046 172.613 174.900 -0.402 0.000 1.456 263 G CA -0.811 44.136 45.100 -0.255 0.000 0.804 263 G HN 0.742 nan 8.290 nan 0.000 0.499 264 H N -0.928 117.878 119.070 -0.441 0.000 2.499 264 H HA 0.707 5.263 4.556 0.000 0.000 0.340 264 H C -1.115 173.853 175.328 -0.600 0.000 1.148 264 H CA -0.025 55.812 56.048 -0.350 0.000 1.215 264 H CB 1.701 31.300 29.762 -0.272 0.000 1.529 264 H HN 0.474 nan 8.280 nan 0.000 0.510 265 Y N -0.362 119.955 120.300 0.029 0.000 2.545 265 Y HA 0.535 5.085 4.550 0.000 0.000 0.348 265 Y C -0.380 175.552 175.900 0.052 0.000 1.002 265 Y CA -1.349 56.764 58.100 0.021 0.000 1.039 265 Y CB 1.781 40.230 38.460 -0.019 0.000 1.271 265 Y HN 0.724 nan 8.280 nan 0.000 0.467 266 A N 3.931 126.864 122.820 0.189 0.000 2.621 266 A HA 0.628 4.948 4.320 0.000 0.000 0.329 266 A C -1.099 176.577 177.584 0.153 0.000 1.458 266 A CA -0.367 51.753 52.037 0.139 0.000 1.052 266 A CB -0.895 18.158 19.000 0.088 0.000 1.142 266 A HN 0.688 nan 8.150 nan 0.000 0.523 267 L N 2.613 123.938 121.223 0.171 0.000 2.294 267 L HA 0.428 4.768 4.340 0.000 0.000 0.283 267 L C -0.060 176.912 176.870 0.171 0.000 1.015 267 L CA -0.250 54.698 54.840 0.180 0.000 0.831 267 L CB 1.784 43.983 42.059 0.234 0.000 1.217 267 L HN 0.458 nan 8.230 nan 0.000 0.420 268 T N 3.414 118.040 114.554 0.122 0.000 2.859 268 T HA 0.516 4.866 4.350 0.000 0.000 0.281 268 T C -2.447 172.294 174.700 0.067 0.000 1.005 268 T CA -1.262 60.891 62.100 0.087 0.000 1.025 268 T CB 1.959 70.861 68.868 0.057 0.000 0.977 268 T HN 0.269 nan 8.240 nan 0.000 0.458 269 P HA 0.556 nan 4.420 nan 0.000 0.284 269 P C -1.033 176.261 177.300 -0.011 0.000 1.258 269 P CA -0.711 62.388 63.100 -0.002 0.000 0.824 269 P CB 0.582 32.258 31.700 -0.039 0.000 1.038 270 I N 1.344 121.900 120.570 -0.022 0.000 2.378 270 I HA 0.464 4.634 4.170 0.000 0.000 0.291 270 I C 0.148 176.240 176.117 -0.041 0.000 0.992 270 I CA -0.734 60.554 61.300 -0.022 0.000 1.154 270 I CB 1.179 39.172 38.000 -0.011 0.000 1.315 270 I HN 0.300 nan 8.210 nan 0.000 0.448 271 A N 4.947 127.743 122.820 -0.040 0.000 2.269 271 A HA 0.707 5.027 4.320 0.000 0.000 0.302 271 A C 0.221 177.776 177.584 -0.048 0.000 1.266 271 A CA -0.288 51.717 52.037 -0.052 0.000 0.894 271 A CB -0.105 18.867 19.000 -0.046 0.000 1.147 271 A HN 0.735 nan 8.150 nan 0.000 0.537 272 T N -0.595 113.923 114.554 -0.060 0.000 2.942 272 T HA 0.626 4.976 4.350 0.000 0.000 0.289 272 T C 0.247 174.902 174.700 -0.076 0.000 1.044 272 T CA -0.491 61.575 62.100 -0.057 0.000 1.023 272 T CB 1.393 70.230 68.868 -0.052 0.000 1.123 272 T HN 0.536 nan 8.240 nan 0.000 0.512 273 T N 0.532 115.040 114.554 -0.078 0.000 2.919 273 T HA 0.142 4.492 4.350 0.000 0.000 0.302 273 T C 0.914 175.534 174.700 -0.134 0.000 1.031 273 T CA -0.169 61.869 62.100 -0.104 0.000 1.127 273 T CB 0.776 69.586 68.868 -0.096 0.000 0.952 273 T HN 0.820 nan 8.240 nan 0.000 0.540 274 Q N 2.683 122.373 119.800 -0.184 0.000 2.396 274 Q HA 0.074 4.414 4.340 0.000 0.000 0.209 274 Q C 0.465 176.303 176.000 -0.271 0.000 0.906 274 Q CA 0.205 55.878 55.803 -0.217 0.000 0.927 274 Q CB 0.161 28.748 28.738 -0.251 0.000 1.069 274 Q HN 0.811 nan 8.270 nan 0.000 0.523 275 N N -0.878 117.637 118.700 -0.307 0.000 3.479 275 N HA 0.469 5.209 4.740 0.000 0.000 0.336 275 N C -1.717 173.607 175.510 -0.310 0.000 1.623 275 N CA -0.466 52.365 53.050 -0.366 0.000 0.759 275 N CB 0.719 38.902 38.487 -0.507 0.000 2.016 275 N HN -0.020 nan 8.380 nan 0.000 0.637 276 A N -0.051 122.521 122.820 -0.414 0.000 2.343 276 A HA 0.562 4.882 4.320 0.000 0.000 0.308 276 A C 0.985 178.473 177.584 -0.161 0.000 1.092 276 A CA -0.416 51.472 52.037 -0.248 0.000 0.751 276 A CB 0.791 19.676 19.000 -0.193 0.000 1.203 276 A HN 0.932 nan 8.150 nan 0.000 0.452 277 V N -0.138 119.767 119.914 -0.015 0.000 2.809 277 V HA 0.100 4.221 4.120 0.000 0.000 0.256 277 V C 0.398 176.594 176.094 0.170 0.000 1.080 277 V CA 1.789 64.119 62.300 0.050 0.000 1.102 277 V CB -1.485 30.352 31.823 0.023 0.000 0.705 277 V HN 0.914 nan 8.190 nan 0.000 0.475 278 E N -1.058 119.293 120.200 0.253 0.000 2.375 278 E HA 0.706 5.056 4.350 0.000 0.000 0.280 278 E C -0.375 176.374 176.600 0.248 0.000 0.972 278 E CA -0.374 56.167 56.400 0.235 0.000 0.782 278 E CB 1.790 31.543 29.700 0.088 0.000 1.229 278 E HN 0.512 nan 8.360 nan 0.000 0.439 279 G N 0.677 109.417 108.800 -0.100 0.000 2.343 279 G HA2 0.404 4.364 3.960 0.000 0.000 0.289 279 G HA3 0.404 4.364 3.960 0.000 0.000 0.289 279 G C -1.384 173.015 174.900 -0.835 0.000 1.295 279 G CA -0.311 44.571 45.100 -0.365 0.000 0.869 279 G HN 1.149 nan 8.290 nan 0.000 0.522 280 S N -1.702 113.596 115.700 -0.671 0.000 2.541 280 S HA 0.780 5.250 4.470 0.000 0.000 0.280 280 S C 0.601 174.952 174.600 -0.416 0.000 1.112 280 S CA 0.340 58.200 58.200 -0.567 0.000 0.925 280 S CB 1.755 64.769 63.200 -0.309 0.000 1.067 280 S HN 2.871 nan 8.310 nan 0.000 0.479 281 G N 0.641 109.251 108.800 -0.317 0.000 2.148 281 G HA2 -0.149 3.811 3.960 0.000 0.000 0.203 281 G HA3 -0.149 3.811 3.960 0.000 0.000 0.203 281 G C -0.279 174.630 174.900 0.014 0.000 0.993 281 G CA -0.658 44.348 45.100 -0.156 0.000 0.661 281 G HN 0.597 nan 8.290 nan 0.000 0.518 282 F N 1.100 121.036 119.950 -0.024 0.000 2.602 282 F HA 0.425 4.952 4.527 0.000 0.000 0.367 282 F C 1.438 177.216 175.800 -0.036 0.000 1.126 282 F CA -0.653 57.318 58.000 -0.049 0.000 1.321 282 F CB 0.519 39.488 39.000 -0.052 0.000 1.094 282 F HN 0.339 nan 8.300 nan 0.000 0.594 283 V N 1.358 121.333 119.914 0.102 0.000 2.785 283 V HA 0.383 4.503 4.120 0.000 0.000 0.300 283 V C -0.196 175.868 176.094 -0.049 0.000 1.062 283 V CA -0.563 61.819 62.300 0.136 0.000 1.029 283 V CB 1.375 33.292 31.823 0.156 0.000 1.024 283 V HN 0.736 nan 8.190 nan 0.000 0.477 284 H N 2.180 121.483 119.070 0.387 0.000 2.490 284 H HA 0.376 4.932 4.556 0.000 0.000 0.230 284 H C -2.806 172.895 175.328 0.622 0.000 1.417 284 H CA -1.393 54.878 56.048 0.371 0.000 1.449 284 H CB 1.330 31.204 29.762 0.188 0.000 1.649 284 H HN 0.571 nan 8.280 nan 0.000 0.519 285 P HA -0.082 nan 4.420 nan 0.000 0.265 285 P C -0.321 177.327 177.300 0.580 0.000 1.193 285 P CA 0.317 63.744 63.100 0.546 0.000 0.765 285 P CB 0.316 32.210 31.700 0.324 0.000 0.823 286 F N 4.068 124.225 119.950 0.346 0.000 2.404 286 F HA 0.471 4.998 4.527 0.000 0.000 0.354 286 F C -0.020 175.842 175.800 0.103 0.000 1.122 286 F CA -0.520 57.504 58.000 0.040 0.000 1.080 286 F CB 0.624 39.399 39.000 -0.375 0.000 1.131 286 F HN 0.197 nan 8.300 nan 0.000 0.471 287 N N 3.969 122.372 118.700 -0.495 0.000 2.272 287 N HA 0.664 5.404 4.740 0.000 0.000 0.305 287 N C -2.018 173.248 175.510 -0.406 0.000 1.103 287 N CA -0.565 52.315 53.050 -0.283 0.000 0.791 287 N CB 2.040 40.466 38.487 -0.101 0.000 1.356 287 N HN 0.330 nan 8.380 nan 0.000 0.486 288 V N 1.844 121.678 119.914 -0.134 0.000 2.444 288 V HA 0.495 4.615 4.120 0.000 0.000 0.294 288 V C -0.299 175.823 176.094 0.046 0.000 1.022 288 V CA -0.725 61.556 62.300 -0.030 0.000 0.850 288 V CB 1.221 33.108 31.823 0.107 0.000 0.992 288 V HN 0.872 nan 8.190 nan 0.000 0.426 289 T N 2.387 116.972 114.554 0.052 0.000 2.792 289 T HA 0.589 4.939 4.350 0.000 0.000 0.280 289 T C -0.453 174.326 174.700 0.131 0.000 0.990 289 T CA -0.795 61.367 62.100 0.104 0.000 0.960 289 T CB 1.387 70.293 68.868 0.064 0.000 0.939 289 T HN 0.582 nan 8.240 nan 0.000 0.439 290 R N 4.062 124.671 120.500 0.180 0.000 2.332 290 R HA 0.333 4.673 4.340 0.000 0.000 0.306 290 R C -2.138 174.274 176.300 0.187 0.000 1.117 290 R CA -2.341 53.844 56.100 0.142 0.000 1.108 290 R CB 0.751 31.129 30.300 0.130 0.000 1.126 290 R HN 0.438 nan 8.270 nan 0.000 0.548 291 P HA -0.144 nan 4.420 nan 0.000 0.216 291 P C 0.391 177.744 177.300 0.089 0.000 1.153 291 P CA 1.297 64.532 63.100 0.225 0.000 0.858 291 P CB 0.398 32.166 31.700 0.113 0.000 0.789 292 G N -2.343 106.464 108.800 0.012 0.000 3.253 292 G HA2 0.349 4.309 3.960 0.000 0.000 0.175 292 G HA3 0.349 4.309 3.960 0.000 0.000 0.175 292 G C 0.104 174.987 174.900 -0.028 0.000 1.098 292 G CA -0.251 44.825 45.100 -0.039 0.000 0.790 292 G HN -0.083 nan 8.290 nan 0.000 0.648 293 I N 1.820 122.377 120.570 -0.021 0.000 3.265 293 I HA 0.354 4.524 4.170 0.000 0.000 0.282 293 I C 1.821 177.946 176.117 0.013 0.000 1.207 293 I CA 0.363 61.664 61.300 0.002 0.000 1.449 293 I CB -0.141 37.865 38.000 0.010 0.000 1.121 293 I HN 0.405 nan 8.210 nan 0.000 0.442 294 A N 0.645 123.457 122.820 -0.014 0.000 2.346 294 A HA 0.540 4.860 4.320 0.000 0.000 0.255 294 A C 1.707 179.282 177.584 -0.016 0.000 1.113 294 A CA 0.381 52.404 52.037 -0.023 0.000 0.798 294 A CB -0.038 18.865 19.000 -0.161 0.000 1.073 294 A HN 0.316 nan 8.150 nan 0.000 0.502 295 A N 0.430 123.262 122.820 0.020 0.000 2.172 295 A HA 0.344 4.664 4.320 0.000 0.000 0.216 295 A C 1.445 179.026 177.584 -0.005 0.000 1.154 295 A CA 0.939 53.027 52.037 0.085 0.000 0.701 295 A CB -1.297 17.805 19.000 0.171 0.000 0.789 295 A HN 1.710 nan 8.150 nan 0.000 0.465 296 G N -0.938 107.721 108.800 -0.235 0.000 2.368 296 G HA2 0.373 4.333 3.960 0.000 0.000 0.233 296 G HA3 0.373 4.333 3.960 0.000 0.000 0.233 296 G C -0.515 174.178 174.900 -0.344 0.000 1.267 296 G CA 0.580 45.342 45.100 -0.565 0.000 0.873 296 G HN 0.639 nan 8.290 nan 0.000 0.539 297 V N 1.014 120.689 119.914 -0.399 0.000 3.098 297 V HA 0.530 4.650 4.120 0.000 0.000 0.294 297 V C -0.408 175.734 176.094 0.081 0.000 1.351 297 V CA -0.760 61.526 62.300 -0.022 0.000 0.999 297 V CB 2.807 34.741 31.823 0.184 0.000 1.104 297 V HN 0.928 nan 8.190 nan 0.000 0.438 298 T N 5.620 120.231 114.554 0.095 0.000 2.809 298 T HA 0.541 4.891 4.350 0.000 0.000 0.296 298 T C -0.856 173.878 174.700 0.056 0.000 1.015 298 T CA -0.319 61.834 62.100 0.088 0.000 0.954 298 T CB 0.911 69.789 68.868 0.017 0.000 0.950 298 T HN 0.247 nan 8.240 nan 0.000 0.450 299 L N 3.777 125.050 121.223 0.082 0.000 2.265 299 L HA 0.555 4.895 4.340 0.000 0.000 0.288 299 L C 0.647 177.427 176.870 -0.150 0.000 1.058 299 L CA 0.151 54.946 54.840 -0.075 0.000 0.809 299 L CB 1.025 43.090 42.059 0.010 0.000 1.179 299 L HN 0.672 nan 8.230 nan 0.000 0.429 300 T N 3.601 117.977 114.554 -0.296 0.000 2.937 300 T HA 0.318 4.668 4.350 0.000 0.000 0.297 300 T C -1.671 172.996 174.700 -0.055 0.000 0.991 300 T CA -0.480 61.554 62.100 -0.110 0.000 0.990 300 T CB 0.386 69.212 68.868 -0.071 0.000 0.991 300 T HN 0.404 nan 8.240 nan 0.000 0.440 301 W N 6.237 127.572 121.300 0.059 0.000 2.282 301 W HA 0.691 5.351 4.660 0.000 0.000 0.322 301 W C 0.204 176.798 176.519 0.125 0.000 1.011 301 W CA -1.961 55.445 57.345 0.103 0.000 1.392 301 W CB -0.011 29.498 29.460 0.081 0.000 1.215 301 W HN 0.998 nan 8.180 nan 0.000 0.394 302 A N 4.417 127.483 122.820 0.410 0.000 2.592 302 A HA 0.160 4.480 4.320 0.000 0.000 0.250 302 A C 1.280 179.016 177.584 0.253 0.000 1.017 302 A CA 1.780 53.978 52.037 0.268 0.000 0.794 302 A CB -0.102 19.053 19.000 0.259 0.000 0.917 302 A HN 1.181 nan 8.150 nan 0.000 0.515 303 S N 0.164 115.967 115.700 0.171 0.000 3.402 303 S HA -0.170 4.300 4.470 0.000 0.000 0.329 303 S C 0.403 175.100 174.600 0.160 0.000 1.194 303 S CA 1.535 59.837 58.200 0.171 0.000 0.951 303 S CB -1.440 61.913 63.200 0.255 0.000 0.975 303 S HN 0.721 nan 8.310 nan 0.000 0.574 304 M N 0.738 120.309 119.600 -0.048 0.000 2.249 304 M HA 0.342 4.822 4.480 0.000 0.000 0.351 304 M C -2.400 173.811 176.300 -0.148 0.000 1.180 304 M CA -2.583 52.498 55.300 -0.365 0.000 1.127 304 M CB -0.389 31.688 32.600 -0.873 0.000 1.546 304 M HN -0.231 nan 8.290 nan 0.000 0.461 305 P HA 0.055 nan 4.420 nan 0.000 0.260 305 P C -2.389 175.021 177.300 0.183 0.000 1.172 305 P CA -0.393 62.702 63.100 -0.009 0.000 0.760 305 P CB -0.314 31.334 31.700 -0.086 0.000 0.773 306 P HA 0.304 nan 4.420 nan 0.000 0.268 306 P C 0.342 177.844 177.300 0.337 0.000 1.205 306 P CA 0.688 63.913 63.100 0.208 0.000 0.771 306 P CB 0.567 32.301 31.700 0.056 0.000 0.858 307 G N 0.034 109.143 108.800 0.515 0.000 2.327 307 G HA2 0.548 4.508 3.960 0.000 0.000 0.291 307 G HA3 0.548 4.508 3.960 0.000 0.000 0.291 307 G C -0.775 174.650 174.900 0.876 0.000 1.290 307 G CA 0.312 45.757 45.100 0.574 0.000 0.857 307 G HN 0.820 nan 8.290 nan 0.000 0.520 308 G N -1.829 107.377 108.800 0.676 0.000 2.515 308 G HA2 0.527 4.488 3.960 0.000 0.000 0.686 308 G HA3 0.527 4.488 3.960 0.000 0.000 0.686 308 G C -0.406 174.734 174.900 0.400 0.000 1.274 308 G CA 0.681 46.133 45.100 0.586 0.000 0.874 308 G HN 2.199 nan 8.290 nan 0.000 0.631 309 S N -0.661 115.123 115.700 0.140 0.000 2.541 309 S HA 1.028 5.498 4.470 0.000 0.000 0.280 309 S C -0.053 174.517 174.600 -0.051 0.000 1.112 309 S CA 0.800 59.069 58.200 0.117 0.000 0.925 309 S CB 1.560 64.832 63.200 0.120 0.000 1.067 309 S HN 2.444 nan 8.310 nan 0.000 0.479 310 A N 4.252 127.098 122.820 0.043 0.000 2.486 310 A HA 0.862 5.182 4.320 0.000 0.000 0.300 310 A C -2.796 174.880 177.584 0.153 0.000 1.048 310 A CA -1.348 50.721 52.037 0.054 0.000 0.696 310 A CB 0.923 19.956 19.000 0.055 0.000 1.278 310 A HN 0.696 nan 8.150 nan 0.000 0.405 311 P HA 0.341 nan 4.420 nan 0.000 0.273 311 P C 0.018 177.400 177.300 0.137 0.000 1.250 311 P CA -0.022 63.150 63.100 0.121 0.000 0.793 311 P CB 0.688 32.446 31.700 0.097 0.000 1.011 312 S N -1.226 114.535 115.700 0.102 0.000 2.669 312 S HA 0.720 5.190 4.470 0.000 0.000 0.270 312 S C 0.491 175.131 174.600 0.067 0.000 1.225 312 S CA 0.500 58.753 58.200 0.089 0.000 0.991 312 S CB 0.883 64.126 63.200 0.071 0.000 0.987 312 S HN 1.034 nan 8.310 nan 0.000 0.552 313 G N 0.291 109.120 108.800 0.049 0.000 2.352 313 G HA2 0.303 4.263 3.960 0.000 0.000 0.283 313 G HA3 0.303 4.263 3.960 0.000 0.000 0.283 313 G C -2.393 172.515 174.900 0.014 0.000 1.308 313 G CA -0.647 44.470 45.100 0.028 0.000 0.892 313 G HN 0.563 nan 8.290 nan 0.000 0.504 314 D N 1.201 121.602 120.400 0.001 0.000 2.375 314 D HA 0.500 5.140 4.640 0.000 0.000 0.241 314 D C -2.144 174.150 176.300 -0.010 0.000 1.361 314 D CA -0.420 53.581 54.000 0.003 0.000 0.995 314 D CB 2.069 42.883 40.800 0.024 0.000 1.312 314 D HN 0.282 nan 8.370 nan 0.000 0.576 315 P HA 0.627 nan 4.420 nan 0.000 0.274 315 P C -1.329 175.878 177.300 -0.155 0.000 1.256 315 P CA -0.692 62.355 63.100 -0.090 0.000 0.795 315 P CB 0.927 32.554 31.700 -0.121 0.000 1.038 316 A N 0.041 122.783 122.820 -0.131 0.000 2.455 316 A HA 0.520 4.840 4.320 0.000 0.000 0.300 316 A C -1.401 176.172 177.584 -0.018 0.000 1.040 316 A CA -0.770 51.223 52.037 -0.073 0.000 0.697 316 A CB 0.412 19.442 19.000 0.050 0.000 1.265 316 A HN 0.502 nan 8.150 nan 0.000 0.407 317 W N 1.418 122.818 121.300 0.167 0.000 2.170 317 W HA 0.484 5.144 4.660 0.000 0.000 0.342 317 W C 0.126 176.898 176.519 0.421 0.000 1.294 317 W CA 0.564 58.091 57.345 0.304 0.000 1.246 317 W CB 0.405 30.015 29.460 0.250 0.000 1.156 317 W HN 0.402 nan 8.180 nan 0.000 0.572 318 I N 3.461 124.415 120.570 0.640 0.000 2.619 318 I HA 0.226 4.396 4.170 0.000 0.000 0.292 318 I C -2.344 173.572 176.117 -0.336 0.000 1.100 318 I CA -2.671 58.746 61.300 0.195 0.000 1.043 318 I CB 2.263 40.297 38.000 0.057 0.000 1.239 318 I HN -0.025 nan 8.210 nan 0.000 0.420 319 P HA 0.049 nan 4.420 nan 0.000 0.265 319 P C -0.417 176.480 177.300 -0.672 0.000 1.222 319 P CA 0.231 62.484 63.100 -1.412 0.000 0.767 319 P CB 0.500 31.590 31.700 -1.017 0.000 0.801 320 D N 1.885 121.930 120.400 -0.592 0.000 2.388 320 D HA 0.138 4.778 4.640 0.000 0.000 0.221 320 D C -0.312 175.828 176.300 -0.265 0.000 1.133 320 D CA 0.153 53.960 54.000 -0.322 0.000 0.831 320 D CB 0.172 40.841 40.800 -0.217 0.000 0.962 320 D HN 0.304 nan 8.370 nan 0.000 0.502 321 S N -3.039 112.480 115.700 -0.300 0.000 2.710 321 S HA 0.263 4.733 4.470 0.000 0.000 0.274 321 S C -0.289 174.198 174.600 -0.187 0.000 1.029 321 S CA -0.910 57.166 58.200 -0.206 0.000 0.864 321 S CB 0.683 63.784 63.200 -0.164 0.000 1.103 321 S HN -0.102 nan 8.310 nan 0.000 0.460 322 T N 1.322 115.797 114.554 -0.132 0.000 2.946 322 T HA 0.755 5.105 4.350 0.000 0.000 0.295 322 T C 1.005 175.643 174.700 -0.103 0.000 1.143 322 T CA 0.365 62.404 62.100 -0.102 0.000 0.944 322 T CB -0.193 68.627 68.868 -0.079 0.000 1.800 322 T HN 1.473 nan 8.240 nan 0.000 0.590 323 T N 0.501 114.996 114.554 -0.098 0.000 13.302 323 T HA -0.245 4.105 4.350 0.000 0.000 0.419 323 T C 0.316 174.942 174.700 -0.125 0.000 1.442 323 T CA 1.923 63.936 62.100 -0.144 0.000 2.360 323 T CB -1.393 67.358 68.868 -0.195 0.000 2.805 323 T HN 0.950 nan 8.240 nan 0.000 0.605 324 Q N 0.450 120.188 119.800 -0.103 0.000 2.587 324 Q HA 0.721 5.061 4.340 0.000 0.000 0.293 324 Q C -0.753 175.264 176.000 0.027 0.000 1.083 324 Q CA -1.074 54.711 55.803 -0.031 0.000 0.792 324 Q CB 1.174 29.890 28.738 -0.036 0.000 1.484 324 Q HN 0.378 nan 8.270 nan 0.000 0.446 325 F N 1.657 121.577 119.950 -0.050 0.000 2.519 325 F HA 0.171 4.698 4.527 0.000 0.000 0.375 325 F C -0.553 175.255 175.800 0.014 0.000 1.084 325 F CA 0.722 58.719 58.000 -0.005 0.000 1.147 325 F CB 0.354 39.318 39.000 -0.061 0.000 1.088 325 F HN 0.399 nan 8.300 nan 0.000 0.555 326 Q N 5.936 125.454 119.800 -0.469 0.000 2.263 326 Q HA 0.219 4.559 4.340 0.000 0.000 0.262 326 Q C -1.861 173.811 176.000 -0.547 0.000 0.984 326 Q CA -0.605 54.971 55.803 -0.380 0.000 0.813 326 Q CB 1.776 30.381 28.738 -0.221 0.000 1.299 326 Q HN 0.767 nan 8.270 nan 0.000 0.428 327 W N 2.558 123.609 121.300 -0.415 0.000 2.882 327 W HA 0.632 5.292 4.660 0.000 0.000 0.345 327 W C 0.007 176.563 176.519 0.062 0.000 1.125 327 W CA -0.415 56.815 57.345 -0.192 0.000 1.167 327 W CB 1.496 30.788 29.460 -0.279 0.000 1.431 327 W HN 0.552 nan 8.180 nan 0.000 0.543 328 R N 0.990 121.776 120.500 0.476 0.000 2.741 328 R HA 0.599 4.939 4.340 0.000 0.000 0.274 328 R C -1.574 174.915 176.300 0.315 0.000 1.029 328 R CA -0.908 55.416 56.100 0.374 0.000 0.880 328 R CB 2.442 32.804 30.300 0.103 0.000 1.264 328 R HN 0.671 nan 8.270 nan 0.000 0.465 329 H N -1.445 117.611 119.070 -0.023 0.000 3.094 329 H HA 0.349 4.905 4.556 0.000 0.000 0.346 329 H C -1.364 173.857 175.328 -0.179 0.000 1.238 329 H CA -0.286 55.641 56.048 -0.202 0.000 1.209 329 H CB 2.169 31.586 29.762 -0.574 0.000 1.911 329 H HN 0.870 nan 8.280 nan 0.000 0.540 330 G N 1.327 109.977 108.800 -0.251 0.000 4.044 330 G HA2 0.351 4.311 3.960 0.000 0.000 0.297 330 G HA3 0.351 4.311 3.960 0.000 0.000 0.297 330 G C 0.440 175.176 174.900 -0.273 0.000 1.101 330 G CA -0.018 44.888 45.100 -0.324 0.000 0.884 330 G HN 0.818 nan 8.290 nan 0.000 0.538 331 G N -0.444 108.358 108.800 0.004 0.000 2.503 331 G HA2 0.384 4.344 3.960 0.000 0.000 0.257 331 G HA3 0.384 4.344 3.960 0.000 0.000 0.257 331 G C 0.462 175.317 174.900 -0.075 0.000 1.214 331 G CA -0.531 44.594 45.100 0.042 0.000 0.839 331 G HN 0.101 nan 8.290 nan 0.000 0.559 332 F N -0.493 119.478 119.950 0.036 0.000 2.407 332 F HA 0.135 4.662 4.527 0.000 0.000 0.299 332 F C 1.171 176.998 175.800 0.044 0.000 1.097 332 F CA 0.628 58.645 58.000 0.027 0.000 1.422 332 F CB 0.234 39.242 39.000 0.012 0.000 1.067 332 F HN 0.239 nan 8.300 nan 0.000 0.539 333 D N -0.771 119.757 120.400 0.213 0.000 2.527 333 D HA 0.509 5.149 4.640 0.000 0.000 0.233 333 D C -0.617 175.718 176.300 0.058 0.000 1.063 333 D CA -0.636 53.440 54.000 0.128 0.000 0.880 333 D CB 1.918 42.775 40.800 0.096 0.000 1.457 333 D HN -0.045 nan 8.370 nan 0.000 0.475 334 A N 2.613 125.442 122.820 0.016 0.000 2.531 334 A HA 0.396 4.716 4.320 0.000 0.000 0.236 334 A C -2.228 175.187 177.584 -0.281 0.000 1.062 334 A CA -0.511 51.430 52.037 -0.160 0.000 0.760 334 A CB -0.367 18.629 19.000 -0.007 0.000 0.995 334 A HN 0.371 nan 8.150 nan 0.000 0.501 335 P HA 0.165 nan 4.420 nan 0.000 0.271 335 P C 1.055 178.292 177.300 -0.106 0.000 1.216 335 P CA 0.167 63.018 63.100 -0.414 0.000 0.776 335 P CB 0.719 31.930 31.700 -0.815 0.000 0.881 336 T N -0.785 113.748 114.554 -0.035 0.000 2.985 336 T HA 0.057 4.407 4.350 0.000 0.000 0.266 336 T C 1.136 175.891 174.700 0.092 0.000 1.076 336 T CA 0.465 62.584 62.100 0.033 0.000 1.135 336 T CB -0.863 68.018 68.868 0.022 0.000 0.890 336 T HN 0.449 nan 8.240 nan 0.000 0.480 337 G N 0.525 109.398 108.800 0.122 0.000 2.606 337 G HA2 0.486 4.446 3.960 0.000 0.000 0.252 337 G HA3 0.486 4.446 3.960 0.000 0.000 0.252 337 G C -0.976 174.116 174.900 0.319 0.000 1.206 337 G CA -0.417 44.797 45.100 0.191 0.000 0.861 337 G HN 0.356 nan 8.290 nan 0.000 0.561 338 V N 0.674 120.693 119.914 0.175 0.000 3.001 338 V HA 0.553 4.673 4.120 0.000 0.000 0.314 338 V C -0.316 175.700 176.094 -0.129 0.000 1.099 338 V CA -0.978 61.341 62.300 0.033 0.000 0.989 338 V CB 2.019 33.839 31.823 -0.006 0.000 1.040 338 V HN 0.581 nan 8.190 nan 0.000 0.434 339 I N 3.769 124.127 120.570 -0.354 0.000 2.331 339 I HA 0.412 4.582 4.170 0.000 0.000 0.292 339 I C 0.148 176.202 176.117 -0.106 0.000 0.998 339 I CA -0.258 60.795 61.300 -0.411 0.000 1.267 339 I CB 1.696 39.206 38.000 -0.817 0.000 1.386 339 I HN 0.700 nan 8.210 nan 0.000 0.476 340 T N 2.842 117.365 114.554 -0.053 0.000 2.794 340 T HA 0.520 4.870 4.350 0.000 0.000 0.280 340 T C -0.965 173.856 174.700 0.200 0.000 0.987 340 T CA -0.676 61.455 62.100 0.053 0.000 0.993 340 T CB 1.393 70.272 68.868 0.018 0.000 0.939 340 T HN 0.447 nan 8.240 nan 0.000 0.449 341 Y N 1.564 121.923 120.300 0.099 0.000 2.442 341 Y HA 0.537 5.087 4.550 0.000 0.000 0.344 341 Y C -0.753 175.199 175.900 0.087 0.000 0.976 341 Y CA -0.722 57.475 58.100 0.162 0.000 1.040 341 Y CB 2.253 40.900 38.460 0.311 0.000 1.228 341 Y HN 0.842 nan 8.280 nan 0.000 0.451 342 T N 7.190 121.531 114.554 -0.354 0.000 2.756 342 T HA 0.364 4.714 4.350 0.000 0.000 0.290 342 T C -0.226 174.165 174.700 -0.514 0.000 0.985 342 T CA -0.572 61.352 62.100 -0.293 0.000 0.955 342 T CB 0.240 68.997 68.868 -0.185 0.000 0.930 342 T HN 0.400 nan 8.240 nan 0.000 0.451 343 I N 5.692 126.117 120.570 -0.240 0.000 2.845 343 I HA 0.061 4.231 4.170 0.000 0.000 0.290 343 I C -1.907 174.111 176.117 -0.166 0.000 1.202 343 I CA -2.236 58.969 61.300 -0.157 0.000 1.406 343 I CB -0.706 37.329 38.000 0.059 0.000 1.383 343 I HN 0.324 nan 8.210 nan 0.000 0.549 344 P HA 0.188 nan 4.420 nan 0.000 0.273 344 P C -0.006 177.375 177.300 0.135 0.000 1.250 344 P CA -0.477 62.581 63.100 -0.071 0.000 0.793 344 P CB 0.588 32.218 31.700 -0.118 0.000 1.011 345 R N 0.281 120.856 120.500 0.125 0.000 2.679 345 R HA 0.384 4.724 4.340 0.000 0.000 0.269 345 R C 1.170 177.556 176.300 0.143 0.000 1.076 345 R CA 0.865 57.030 56.100 0.109 0.000 1.160 345 R CB -0.466 29.863 30.300 0.048 0.000 1.054 345 R HN 0.856 nan 8.270 nan 0.000 0.507 346 G N 0.915 109.720 108.800 0.009 0.000 2.148 346 G HA2 -0.287 3.673 3.960 0.000 0.000 0.254 346 G HA3 -0.287 3.673 3.960 0.000 0.000 0.254 346 G C -0.549 174.098 174.900 -0.421 0.000 0.981 346 G CA -0.018 44.968 45.100 -0.189 0.000 0.670 346 G HN 0.577 nan 8.290 nan 0.000 0.528 347 Y N 1.252 121.536 120.300 -0.027 0.000 2.787 347 Y HA 0.476 5.026 4.550 0.000 0.000 0.352 347 Y C 0.762 176.680 175.900 0.029 0.000 1.027 347 Y CA -0.266 57.817 58.100 -0.028 0.000 1.219 347 Y CB 0.899 39.312 38.460 -0.079 0.000 1.110 347 Y HN 0.266 nan 8.280 nan 0.000 0.614 348 T N 0.694 115.319 114.554 0.118 0.000 2.875 348 T HA 0.403 4.753 4.350 0.000 0.000 0.307 348 T C 0.197 175.023 174.700 0.210 0.000 1.013 348 T CA -0.821 61.365 62.100 0.143 0.000 0.970 348 T CB 0.069 68.982 68.868 0.075 0.000 0.986 348 T HN 0.179 nan 8.240 nan 0.000 0.536 349 M N 3.027 122.824 119.600 0.329 0.000 2.250 349 M HA 0.383 4.863 4.480 0.000 0.000 0.344 349 M C 0.254 176.879 176.300 0.542 0.000 1.150 349 M CA -0.128 55.459 55.300 0.479 0.000 1.147 349 M CB 0.616 33.619 32.600 0.671 0.000 1.498 349 M HN 0.650 nan 8.290 nan 0.000 0.461 350 Q N 1.662 121.802 119.800 0.567 0.000 2.397 350 Q HA 0.566 4.906 4.340 0.000 0.000 0.275 350 Q C -1.548 174.789 176.000 0.562 0.000 1.090 350 Q CA -0.827 55.293 55.803 0.529 0.000 0.809 350 Q CB 3.231 32.240 28.738 0.451 0.000 1.362 350 Q HN 0.650 nan 8.270 nan 0.000 0.431 351 Y N -0.909 119.524 120.300 0.222 0.000 2.509 351 Y HA 0.706 5.256 4.550 0.000 0.000 0.341 351 Y C -1.422 174.300 175.900 -0.296 0.000 1.038 351 Y CA -1.597 56.274 58.100 -0.381 0.000 1.089 351 Y CB 0.981 38.967 38.460 -0.791 0.000 1.241 351 Y HN 0.559 nan 8.280 nan 0.000 0.468 352 F N 3.455 122.929 119.950 -0.794 0.000 2.334 352 F HA 0.325 4.852 4.527 0.000 0.000 0.367 352 F C -0.487 175.032 175.800 -0.468 0.000 1.115 352 F CA -1.235 56.076 58.000 -1.147 0.000 1.116 352 F CB 0.355 38.363 39.000 -1.653 0.000 1.230 352 F HN 0.750 nan 8.300 nan 0.000 0.484 353 D N 4.096 123.963 120.400 -0.888 0.000 2.352 353 D HA 0.077 4.717 4.640 0.000 0.000 0.245 353 D C 1.247 177.008 176.300 -0.898 0.000 1.224 353 D CA 0.257 53.953 54.000 -0.506 0.000 0.879 353 D CB 0.993 41.671 40.800 -0.203 0.000 1.057 353 D HN 0.652 nan 8.370 nan 0.000 0.491 354 T N 0.002 114.156 114.554 -0.667 0.000 2.962 354 T HA -0.164 4.186 4.350 0.000 0.000 0.270 354 T C 1.856 176.391 174.700 -0.274 0.000 1.088 354 T CA 1.017 62.829 62.100 -0.480 0.000 1.127 354 T CB -0.305 68.479 68.868 -0.139 0.000 0.883 354 T HN 0.320 nan 8.240 nan 0.000 0.493 355 T N 2.502 116.924 114.554 -0.220 0.000 2.684 355 T HA -0.101 4.249 4.350 0.000 0.000 0.267 355 T C 2.169 176.787 174.700 -0.136 0.000 1.036 355 T CA 2.100 64.121 62.100 -0.131 0.000 1.148 355 T CB -0.618 68.194 68.868 -0.094 0.000 0.863 355 T HN 0.807 nan 8.240 nan 0.000 0.436 356 T N -1.402 113.035 114.554 -0.195 0.000 3.054 356 T HA 0.164 4.514 4.350 0.000 0.000 0.255 356 T C 0.397 174.981 174.700 -0.194 0.000 1.035 356 T CA -0.282 61.724 62.100 -0.156 0.000 0.941 356 T CB -0.079 68.713 68.868 -0.126 0.000 1.026 356 T HN 0.274 nan 8.240 nan 0.000 0.533 357 N N 2.278 120.757 118.700 -0.369 0.000 2.667 357 N HA -0.134 4.606 4.740 0.000 0.000 0.263 357 N C -0.891 174.539 175.510 -0.133 0.000 1.038 357 N CA 1.083 53.924 53.050 -0.347 0.000 0.749 357 N CB -1.048 37.474 38.487 0.059 0.000 0.892 357 N HN 0.773 nan 8.380 nan 0.000 0.546 358 E N -0.957 118.987 120.200 -0.428 0.000 2.372 358 E HA 0.307 4.657 4.350 0.000 0.000 0.279 358 E C -0.834 175.623 176.600 -0.239 0.000 0.946 358 E CA -0.688 55.654 56.400 -0.096 0.000 0.769 358 E CB 1.033 30.693 29.700 -0.066 0.000 1.230 358 E HN 0.124 nan 8.360 nan 0.000 0.442 359 W N 1.977 123.318 121.300 0.068 0.000 2.272 359 W HA 0.337 4.997 4.660 0.000 0.000 0.318 359 W C 0.248 176.654 176.519 -0.187 0.000 1.255 359 W CA -0.106 57.221 57.345 -0.030 0.000 1.200 359 W CB 0.640 30.136 29.460 0.060 0.000 1.170 359 W HN 0.256 nan 8.180 nan 0.000 0.549 360 N N 1.182 119.743 118.700 -0.232 0.000 2.262 360 N HA 0.387 5.127 4.740 0.000 0.000 0.295 360 N C -0.131 175.350 175.510 -0.049 0.000 1.161 360 N CA -0.784 52.133 53.050 -0.222 0.000 0.767 360 N CB 1.619 39.848 38.487 -0.431 0.000 1.499 360 N HN 0.526 nan 8.380 nan 0.000 0.476 361 G N -0.282 108.571 108.800 0.088 0.000 2.484 361 G HA2 0.158 4.118 3.960 0.000 0.000 0.235 361 G HA3 0.158 4.118 3.960 0.000 0.000 0.235 361 G C -0.129 174.986 174.900 0.358 0.000 1.282 361 G CA 0.192 45.410 45.100 0.197 0.000 0.857 361 G HN 0.531 nan 8.290 nan 0.000 0.571 362 F N 1.481 121.605 119.950 0.289 0.000 2.347 362 F HA 0.632 5.159 4.527 0.000 0.000 0.266 362 F C 0.805 176.758 175.800 0.255 0.000 0.884 362 F CA 0.890 59.118 58.000 0.381 0.000 1.123 362 F CB 0.329 39.676 39.000 0.578 0.000 1.098 362 F HN 0.786 nan 8.300 nan 0.000 0.803 363 A N 0.263 123.218 122.820 0.225 0.000 2.601 363 A HA 0.648 4.968 4.320 0.000 0.000 0.291 363 A C -1.795 175.894 177.584 0.175 0.000 1.075 363 A CA -0.668 51.405 52.037 0.060 0.000 0.671 363 A CB 0.819 19.816 19.000 -0.005 0.000 1.277 363 A HN 0.344 nan 8.150 nan 0.000 0.417 364 N N 0.311 119.069 118.700 0.097 0.000 2.405 364 N HA 0.748 5.488 4.740 0.000 0.000 0.285 364 N C -3.024 172.532 175.510 0.076 0.000 1.262 364 N CA -1.533 51.576 53.050 0.098 0.000 0.773 364 N CB 1.796 40.320 38.487 0.061 0.000 1.490 364 N HN 0.456 nan 8.380 nan 0.000 0.486 365 P HA -0.056 nan 4.420 nan 0.000 0.263 365 P C -0.494 176.815 177.300 0.015 0.000 1.175 365 P CA 0.871 64.002 63.100 0.052 0.000 0.761 365 P CB 0.430 32.164 31.700 0.056 0.000 0.794 366 D N -1.275 119.118 120.400 -0.012 0.000 2.653 366 D HA -0.131 4.509 4.640 0.000 0.000 0.184 366 D C -0.021 176.261 176.300 -0.031 0.000 0.993 366 D CA 1.370 55.354 54.000 -0.027 0.000 1.027 366 D CB -1.278 39.513 40.800 -0.015 0.000 1.089 366 D HN 0.442 nan 8.370 nan 0.000 0.447 367 D N -0.228 120.160 120.400 -0.021 0.000 2.361 367 D HA 0.335 4.975 4.640 0.000 0.000 0.239 367 D C 0.205 176.480 176.300 -0.042 0.000 1.200 367 D CA 0.074 54.055 54.000 -0.032 0.000 0.915 367 D CB 0.948 41.730 40.800 -0.030 0.000 1.170 367 D HN -0.154 nan 8.370 nan 0.000 0.444 368 V N 1.383 121.263 119.914 -0.056 0.000 2.540 368 V HA 0.433 4.553 4.120 0.000 0.000 0.302 368 V C -0.240 175.806 176.094 -0.080 0.000 1.035 368 V CA -0.677 61.593 62.300 -0.050 0.000 0.873 368 V CB 1.877 33.670 31.823 -0.049 0.000 0.992 368 V HN 0.234 nan 8.190 nan 0.000 0.428 369 V N 3.630 123.518 119.914 -0.044 0.000 2.680 369 V HA 0.763 4.883 4.120 0.000 0.000 0.309 369 V C 0.034 175.966 176.094 -0.270 0.000 1.052 369 V CA -0.502 61.689 62.300 -0.181 0.000 0.908 369 V CB 2.457 34.211 31.823 -0.116 0.000 1.001 369 V HN 1.001 nan 8.190 nan 0.000 0.431 370 T N 0.370 114.640 114.554 -0.473 0.000 2.893 370 T HA 0.805 5.155 4.350 0.000 0.000 0.291 370 T C -1.111 173.164 174.700 -0.708 0.000 1.028 370 T CA -0.492 61.356 62.100 -0.421 0.000 0.995 370 T CB 1.534 70.278 68.868 -0.207 0.000 1.051 370 T HN 0.189 nan 8.240 nan 0.000 0.470 371 F N 0.763 120.560 119.950 -0.256 0.000 2.467 371 F HA 0.753 5.280 4.527 0.000 0.000 0.336 371 F C 0.743 176.344 175.800 -0.332 0.000 1.123 371 F CA -0.585 57.232 58.000 -0.306 0.000 0.964 371 F CB 2.257 41.046 39.000 -0.351 0.000 1.136 371 F HN 1.083 nan 8.300 nan 0.000 0.447 372 G N 1.978 110.762 108.800 -0.026 0.000 2.612 372 G HA2 0.569 4.529 3.960 0.000 0.000 0.298 372 G HA3 0.569 4.529 3.960 0.000 0.000 0.298 372 G C -2.279 172.736 174.900 0.190 0.000 1.336 372 G CA -0.706 44.438 45.100 0.074 0.000 0.953 372 G HN 0.557 nan 8.290 nan 0.000 0.482 373 Q N -0.535 119.470 119.800 0.343 0.000 2.377 373 Q HA 0.720 5.060 4.340 0.000 0.000 0.271 373 Q C -1.089 175.027 176.000 0.192 0.000 1.077 373 Q CA -0.748 55.242 55.803 0.311 0.000 0.820 373 Q CB 2.183 31.202 28.738 0.468 0.000 1.347 373 Q HN 0.673 nan 8.270 nan 0.000 0.444 374 T N -0.239 114.403 114.554 0.147 0.000 3.011 374 T HA 0.745 5.095 4.350 0.000 0.000 0.303 374 T C 0.063 174.820 174.700 0.095 0.000 0.997 374 T CA 0.007 62.166 62.100 0.100 0.000 1.007 374 T CB 1.210 70.123 68.868 0.076 0.000 1.017 374 T HN 1.125 nan 8.240 nan 0.000 0.443 375 G N 1.052 109.902 108.800 0.083 0.000 2.685 375 G HA2 0.375 4.335 3.960 0.000 0.000 0.387 375 G HA3 0.375 4.335 3.960 0.000 0.000 0.387 375 G C 0.457 175.416 174.900 0.097 0.000 1.324 375 G CA 0.527 45.675 45.100 0.080 0.000 0.878 375 G HN 2.419 nan 8.290 nan 0.000 0.527 376 G N -1.573 107.280 108.800 0.089 0.000 2.376 376 G HA2 0.340 4.300 3.960 0.000 0.000 0.208 376 G HA3 0.340 4.300 3.960 0.000 0.000 0.208 376 G C 1.327 176.279 174.900 0.087 0.000 1.032 376 G CA 1.243 46.399 45.100 0.094 0.000 0.641 376 G HN 2.661 nan 8.290 nan 0.000 0.503 377 A N 0.514 123.390 122.820 0.093 0.000 2.555 377 A HA 0.625 4.945 4.320 0.000 0.000 0.233 377 A C 1.766 179.400 177.584 0.084 0.000 1.060 377 A CA 1.964 54.063 52.037 0.103 0.000 0.759 377 A CB -0.333 18.728 19.000 0.102 0.000 0.995 377 A HN 2.565 nan 8.150 nan 0.000 0.506 378 A N 1.311 124.187 122.820 0.094 0.000 2.610 378 A HA 0.231 4.551 4.320 0.000 0.000 0.299 378 A C 1.983 179.600 177.584 0.055 0.000 1.487 378 A CA 1.449 53.529 52.037 0.070 0.000 0.743 378 A CB -1.839 17.193 19.000 0.053 0.000 1.070 378 A HN 3.125 nan 8.150 nan 0.000 0.439 379 G N -1.264 107.569 108.800 0.055 0.000 2.200 379 G HA2 -0.104 3.856 3.960 0.000 0.000 0.267 379 G HA3 -0.104 3.856 3.960 0.000 0.000 0.267 379 G C 1.030 175.957 174.900 0.045 0.000 0.993 379 G CA 1.741 46.867 45.100 0.044 0.000 0.701 379 G HN 2.751 nan 8.290 nan 0.000 0.524 380 T N -1.515 113.070 114.554 0.051 0.000 2.788 380 T HA 0.479 4.829 4.350 0.000 0.000 0.287 380 T C 0.558 175.293 174.700 0.059 0.000 1.007 380 T CA -0.461 61.669 62.100 0.050 0.000 1.005 380 T CB 1.119 70.017 68.868 0.050 0.000 1.012 380 T HN 0.190 nan 8.240 nan 0.000 0.530 381 N N 0.799 119.534 118.700 0.057 0.000 2.479 381 N HA 0.434 5.174 4.740 0.000 0.000 0.257 381 N C -0.288 175.270 175.510 0.080 0.000 1.232 381 N CA -0.086 53.004 53.050 0.067 0.000 0.920 381 N CB 0.777 39.300 38.487 0.061 0.000 1.105 381 N HN 0.950 nan 8.380 nan 0.000 0.444 382 A N 0.882 123.761 122.820 0.097 0.000 2.340 382 A HA 0.654 4.974 4.320 0.000 0.000 0.331 382 A C -0.348 177.309 177.584 0.122 0.000 1.140 382 A CA -0.517 51.591 52.037 0.119 0.000 0.801 382 A CB 1.005 20.093 19.000 0.147 0.000 1.234 382 A HN 0.490 nan 8.150 nan 0.000 0.469 383 T N 3.102 117.732 114.554 0.126 0.000 2.847 383 T HA 0.441 4.791 4.350 0.000 0.000 0.291 383 T C -0.483 174.303 174.700 0.142 0.000 0.998 383 T CA -0.205 61.964 62.100 0.116 0.000 0.967 383 T CB 0.404 69.321 68.868 0.081 0.000 0.954 383 T HN 0.424 nan 8.240 nan 0.000 0.441 384 I N 4.364 125.029 120.570 0.159 0.000 2.353 384 I HA 0.393 4.563 4.170 0.000 0.000 0.293 384 I C 0.887 177.062 176.117 0.097 0.000 0.992 384 I CA -0.595 60.814 61.300 0.182 0.000 1.268 384 I CB 1.159 39.319 38.000 0.268 0.000 1.387 384 I HN 0.681 nan 8.210 nan 0.000 0.478 385 T N 4.766 119.348 114.554 0.047 0.000 2.809 385 T HA 0.720 5.070 4.350 0.000 0.000 0.284 385 T C -0.451 174.165 174.700 -0.139 0.000 0.992 385 T CA -0.626 61.452 62.100 -0.038 0.000 0.957 385 T CB 1.177 70.024 68.868 -0.033 0.000 0.942 385 T HN 0.283 nan 8.240 nan 0.000 0.439 386 I N 3.959 124.397 120.570 -0.220 0.000 2.321 386 I HA 0.410 4.580 4.170 0.000 0.000 0.291 386 I C 0.339 176.282 176.117 -0.290 0.000 0.998 386 I CA -0.700 60.352 61.300 -0.414 0.000 1.227 386 I CB 1.656 39.373 38.000 -0.472 0.000 1.368 386 I HN 0.832 nan 8.210 nan 0.000 0.466 387 T N 3.090 117.428 114.554 -0.359 0.000 2.833 387 T HA 0.814 5.164 4.350 0.000 0.000 0.297 387 T C -0.400 174.116 174.700 -0.307 0.000 1.015 387 T CA -0.742 61.200 62.100 -0.265 0.000 0.963 387 T CB 1.539 70.284 68.868 -0.204 0.000 0.955 387 T HN 0.620 nan 8.240 nan 0.000 0.449 388 A N 4.506 127.123 122.820 -0.338 0.000 2.356 388 A HA 0.855 5.175 4.320 0.000 0.000 0.323 388 A C -1.674 175.734 177.584 -0.294 0.000 1.119 388 A CA -2.325 49.455 52.037 -0.429 0.000 0.790 388 A CB 0.882 19.325 19.000 -0.929 0.000 1.273 388 A HN 0.528 nan 8.150 nan 0.000 0.452 389 P HA -0.288 nan 4.420 nan 0.000 0.224 389 P C 1.432 178.654 177.300 -0.130 0.000 1.153 389 P CA 3.281 66.291 63.100 -0.150 0.000 0.947 389 P CB 0.104 31.730 31.700 -0.124 0.000 0.790 390 T N -5.699 108.771 114.554 -0.140 0.000 3.040 390 T HA 0.280 4.630 4.350 0.000 0.000 0.250 390 T C 0.370 175.020 174.700 -0.084 0.000 1.058 390 T CA -0.075 61.972 62.100 -0.088 0.000 0.988 390 T CB -0.242 68.596 68.868 -0.050 0.000 0.993 390 T HN -0.151 nan 8.240 nan 0.000 0.519 391 V N 0.453 120.279 119.914 -0.146 0.000 3.087 391 V HA 0.609 4.729 4.120 0.000 0.000 0.306 391 V C -0.902 175.095 176.094 -0.161 0.000 1.187 391 V CA -0.862 61.365 62.300 -0.120 0.000 0.999 391 V CB 2.326 34.117 31.823 -0.054 0.000 1.049 391 V HN 0.270 nan 8.190 nan 0.000 0.431 392 T N 4.304 118.779 114.554 -0.131 0.000 2.890 392 T HA 0.692 5.042 4.350 0.000 0.000 0.295 392 T C -0.747 173.869 174.700 -0.140 0.000 0.993 392 T CA -0.281 61.740 62.100 -0.131 0.000 0.979 392 T CB 0.866 69.667 68.868 -0.111 0.000 0.967 392 T HN 0.400 nan 8.240 nan 0.000 0.441 393 L N 2.843 123.978 121.223 -0.146 0.000 2.322 393 L HA 0.880 5.220 4.340 0.000 0.000 0.269 393 L C 0.377 177.176 176.870 -0.118 0.000 1.012 393 L CA -1.010 53.723 54.840 -0.178 0.000 0.815 393 L CB 2.083 43.991 42.059 -0.253 0.000 1.295 393 L HN 0.695 nan 8.230 nan 0.000 0.438 394 T N -1.123 113.381 114.554 -0.083 0.000 2.933 394 T HA 0.738 5.088 4.350 0.000 0.000 0.305 394 T C -0.785 173.924 174.700 0.015 0.000 1.092 394 T CA -0.593 61.491 62.100 -0.027 0.000 1.008 394 T CB 1.653 70.513 68.868 -0.015 0.000 1.102 394 T HN 0.348 nan 8.240 nan 0.000 0.469 395 I N 2.591 123.202 120.570 0.068 0.000 2.569 395 I HA 0.444 4.614 4.170 0.000 0.000 0.296 395 I C -0.783 175.401 176.117 0.112 0.000 1.028 395 I CA -1.331 60.035 61.300 0.109 0.000 1.082 395 I CB 2.140 40.252 38.000 0.186 0.000 1.264 395 I HN 0.408 nan 8.210 nan 0.000 0.429 396 L N 5.347 126.630 121.223 0.101 0.000 2.282 396 L HA 0.681 5.021 4.340 0.000 0.000 0.288 396 L C -0.333 176.606 176.870 0.113 0.000 1.033 396 L CA -0.292 54.606 54.840 0.097 0.000 0.807 396 L CB 1.361 43.465 42.059 0.075 0.000 1.209 396 L HN 0.751 nan 8.230 nan 0.000 0.423 397 A N 4.103 126.996 122.820 0.121 0.000 2.273 397 A HA 0.639 4.959 4.320 0.000 0.000 0.315 397 A C 0.068 177.719 177.584 0.112 0.000 1.256 397 A CA -0.407 51.707 52.037 0.129 0.000 0.851 397 A CB 0.626 19.715 19.000 0.147 0.000 1.172 397 A HN 0.741 nan 8.150 nan 0.000 0.508 398 T N 2.049 116.669 114.554 0.109 0.000 2.882 398 T HA 0.460 4.810 4.350 0.000 0.000 0.287 398 T C 1.011 175.765 174.700 0.089 0.000 1.014 398 T CA 0.277 62.432 62.100 0.091 0.000 1.049 398 T CB 0.687 69.607 68.868 0.087 0.000 1.001 398 T HN 0.875 nan 8.240 nan 0.000 0.525 399 T N 0.061 114.654 114.554 0.064 0.000 2.937 399 T HA 0.202 4.552 4.350 0.000 0.000 0.316 399 T C 0.670 175.384 174.700 0.023 0.000 1.079 399 T CA -0.151 61.974 62.100 0.041 0.000 1.131 399 T CB -0.376 68.505 68.868 0.022 0.000 1.000 399 T HN 1.099 nan 8.240 nan 0.000 0.549 400 T N -0.447 114.090 114.554 -0.028 0.000 3.219 400 T HA -0.125 4.225 4.350 0.000 0.000 0.433 400 T C 0.009 174.706 174.700 -0.005 0.000 0.771 400 T CA 0.204 62.186 62.100 -0.197 0.000 2.178 400 T CB -2.746 65.866 68.868 -0.427 0.000 1.666 400 T HN 1.941 nan 8.240 nan 0.000 0.607 401 S N -0.270 115.604 115.700 0.290 0.000 2.541 401 S HA 0.858 5.328 4.470 0.000 0.000 0.280 401 S C 0.496 175.406 174.600 0.517 0.000 1.112 401 S CA -0.630 57.835 58.200 0.441 0.000 0.925 401 S CB 2.207 65.567 63.200 0.267 0.000 1.067 401 S HN 1.489 nan 8.310 nan 0.000 0.479 402 A N 1.256 124.397 122.820 0.536 0.000 2.419 402 A HA 0.767 5.088 4.320 0.000 0.000 0.233 402 A C 0.926 178.575 177.584 0.109 0.000 1.217 402 A CA 0.242 52.431 52.037 0.253 0.000 0.944 402 A CB 0.066 19.094 19.000 0.046 0.000 1.025 402 A HN 1.576 nan 8.150 nan 0.000 0.524 403 A N 1.309 124.249 122.820 0.200 0.000 3.064 403 A HA 0.541 4.861 4.320 0.000 0.000 0.339 403 A C -0.844 176.829 177.584 0.149 0.000 1.078 403 A CA -0.572 51.544 52.037 0.132 0.000 0.869 403 A CB -0.208 18.894 19.000 0.170 0.000 1.067 403 A HN 0.208 nan 8.150 nan 0.000 0.480 404 N N 1.200 119.975 118.700 0.125 0.000 2.626 404 N HA 0.351 5.091 4.740 0.000 0.000 0.242 404 N C -1.362 174.229 175.510 0.135 0.000 1.005 404 N CA -0.043 53.088 53.050 0.136 0.000 0.905 404 N CB 2.199 40.772 38.487 0.142 0.000 1.128 404 N HN 0.340 nan 8.380 nan 0.000 0.512 405 V N 3.165 123.169 119.914 0.151 0.000 2.735 405 V HA 0.603 4.723 4.120 0.000 0.000 0.310 405 V C -0.908 175.316 176.094 0.216 0.000 1.061 405 V CA -0.727 61.687 62.300 0.189 0.000 0.913 405 V CB 2.312 34.234 31.823 0.166 0.000 1.005 405 V HN 0.405 nan 8.190 nan 0.000 0.428 406 I N 5.403 126.156 120.570 0.305 0.000 2.433 406 I HA 0.427 4.597 4.170 0.000 0.000 0.292 406 I C 0.027 176.334 176.117 0.316 0.000 1.001 406 I CA -0.445 60.992 61.300 0.229 0.000 1.119 406 I CB 1.813 39.936 38.000 0.205 0.000 1.289 406 I HN 0.690 nan 8.210 nan 0.000 0.438 407 N N 4.813 123.609 118.700 0.161 0.000 2.479 407 N HA 0.516 5.256 4.740 0.000 0.000 0.285 407 N C -1.427 174.191 175.510 0.180 0.000 1.075 407 N CA -0.332 52.884 53.050 0.277 0.000 0.967 407 N CB 0.973 39.585 38.487 0.207 0.000 1.137 407 N HN 0.234 nan 8.380 nan 0.000 0.472 408 F N 1.215 121.493 119.950 0.547 0.000 2.631 408 F HA 0.599 5.126 4.527 0.000 0.000 0.328 408 F C 0.290 176.521 175.800 0.718 0.000 1.067 408 F CA -0.828 57.576 58.000 0.673 0.000 0.969 408 F CB 1.613 40.994 39.000 0.635 0.000 1.332 408 F HN 0.308 nan 8.300 nan 0.000 0.490 409 R N 1.724 122.691 120.500 0.779 0.000 2.594 409 R HA 0.348 4.688 4.340 0.000 0.000 0.265 409 R C -2.319 174.187 176.300 0.344 0.000 1.070 409 R CA -0.667 55.666 56.100 0.388 0.000 0.909 409 R CB 1.879 32.027 30.300 -0.253 0.000 1.243 409 R HN 0.700 nan 8.270 nan 0.000 0.455 410 N N 4.172 123.059 118.700 0.311 0.000 2.424 410 N HA 0.250 4.990 4.740 0.000 0.000 0.271 410 N C 0.498 176.024 175.510 0.026 0.000 0.985 410 N CA -0.571 52.590 53.050 0.186 0.000 0.921 410 N CB 1.275 39.871 38.487 0.182 0.000 1.149 410 N HN 0.731 nan 8.380 nan 0.000 0.492 411 L N 0.798 122.021 121.223 0.001 0.000 2.478 411 L HA 0.127 4.467 4.340 0.000 0.000 0.223 411 L C 0.341 177.147 176.870 -0.107 0.000 1.140 411 L CA 0.466 55.268 54.840 -0.063 0.000 0.842 411 L CB -0.188 41.852 42.059 -0.031 0.000 0.953 411 L HN 0.495 nan 8.230 nan 0.000 0.452 412 D N 0.200 120.525 120.400 -0.125 0.000 2.423 412 D HA 0.358 4.998 4.640 0.000 0.000 0.255 412 D C 0.105 176.255 176.300 -0.250 0.000 1.174 412 D CA -0.056 53.839 54.000 -0.176 0.000 1.008 412 D CB 1.334 42.012 40.800 -0.202 0.000 1.101 412 D HN -0.002 nan 8.370 nan 0.000 0.516 413 A N 0.533 123.209 122.820 -0.240 0.000 2.340 413 A HA 0.416 4.736 4.320 0.000 0.000 0.268 413 A C 0.101 177.524 177.584 -0.269 0.000 1.100 413 A CA -0.109 51.765 52.037 -0.271 0.000 0.803 413 A CB 0.582 19.470 19.000 -0.186 0.000 1.043 413 A HN 0.497 nan 8.150 nan 0.000 0.488 414 E N -0.643 119.397 120.200 -0.268 0.000 2.433 414 E HA 0.670 5.020 4.350 0.000 0.000 0.273 414 E C -1.295 175.342 176.600 0.062 0.000 0.950 414 E CA -0.750 55.599 56.400 -0.085 0.000 0.796 414 E CB 2.443 32.192 29.700 0.081 0.000 1.330 414 E HN 0.742 nan 8.360 nan 0.000 0.455 415 T N -1.167 113.468 114.554 0.135 0.000 3.237 415 T HA 0.538 4.888 4.350 0.000 0.000 0.319 415 T C -0.499 174.297 174.700 0.161 0.000 1.037 415 T CA -0.840 61.348 62.100 0.148 0.000 1.048 415 T CB 1.236 70.147 68.868 0.071 0.000 1.081 415 T HN 0.533 nan 8.240 nan 0.000 0.455 416 T N 0.059 114.718 114.554 0.174 0.000 2.864 416 T HA 0.871 5.221 4.350 0.000 0.000 0.289 416 T C 0.175 174.952 174.700 0.128 0.000 1.082 416 T CA -0.774 61.426 62.100 0.168 0.000 1.009 416 T CB 1.323 70.344 68.868 0.255 0.000 1.234 416 T HN 1.189 nan 8.240 nan 0.000 0.526 417 A N 0.606 123.521 122.820 0.157 0.000 2.407 417 A HA 0.723 5.043 4.320 0.000 0.000 0.248 417 A C 0.853 178.487 177.584 0.083 0.000 1.082 417 A CA -0.251 51.841 52.037 0.091 0.000 0.785 417 A CB -0.618 18.415 19.000 0.055 0.000 1.020 417 A HN 1.482 nan 8.150 nan 0.000 0.489 418 A N 1.253 124.052 122.820 -0.035 0.000 2.406 418 A HA 0.554 4.874 4.320 0.000 0.000 0.243 418 A C 0.565 178.046 177.584 -0.171 0.000 1.082 418 A CA 0.570 52.539 52.037 -0.112 0.000 0.786 418 A CB 0.201 19.150 19.000 -0.085 0.000 1.029 418 A HN 1.664 nan 8.150 nan 0.000 0.495 419 S N 0.834 116.363 115.700 -0.285 0.000 2.548 419 S HA 0.502 4.972 4.470 0.000 0.000 0.276 419 S C -1.015 173.456 174.600 -0.215 0.000 1.129 419 S CA -0.932 57.084 58.200 -0.306 0.000 0.931 419 S CB 0.697 63.456 63.200 -0.735 0.000 1.068 419 S HN 0.749 nan 8.310 nan 0.000 0.480 420 N N 2.257 120.889 118.700 -0.114 0.000 2.477 420 N HA 0.480 5.220 4.740 0.000 0.000 0.284 420 N C -0.666 174.767 175.510 -0.128 0.000 1.182 420 N CA -0.541 52.449 53.050 -0.101 0.000 0.949 420 N CB 1.369 39.828 38.487 -0.047 0.000 1.204 420 N HN 0.671 nan 8.380 nan 0.000 0.526 421 R N 0.182 120.606 120.500 -0.127 0.000 2.468 421 R HA 0.305 4.645 4.340 0.000 0.000 0.302 421 R C -1.226 174.989 176.300 -0.142 0.000 1.041 421 R CA -0.389 55.622 56.100 -0.149 0.000 0.899 421 R CB 0.380 30.594 30.300 -0.143 0.000 1.167 421 R HN 0.406 nan 8.270 nan 0.000 0.483 422 S N 3.776 119.374 115.700 -0.171 0.000 2.400 422 S HA 0.127 4.597 4.470 0.000 0.000 0.295 422 S C -0.622 173.848 174.600 -0.216 0.000 1.113 422 S CA -0.483 57.619 58.200 -0.162 0.000 1.064 422 S CB 0.781 63.886 63.200 -0.158 0.000 0.990 422 S HN 0.550 nan 8.310 nan 0.000 0.502 423 E N 2.585 122.692 120.200 -0.154 0.000 2.044 423 E HA 0.312 4.662 4.350 0.000 0.000 0.282 423 E C -0.636 175.907 176.600 -0.096 0.000 1.031 423 E CA -0.515 55.794 56.400 -0.153 0.000 0.824 423 E CB 0.835 30.488 29.700 -0.080 0.000 1.076 423 E HN 0.332 nan 8.360 nan 0.000 0.395 424 V N 3.167 123.006 119.914 -0.125 0.000 2.513 424 V HA 0.410 4.530 4.120 0.000 0.000 0.299 424 V C -1.959 174.219 176.094 0.140 0.000 1.035 424 V CA -2.469 59.846 62.300 0.026 0.000 0.889 424 V CB 1.296 33.156 31.823 0.062 0.000 0.988 424 V HN 0.549 nan 8.190 nan 0.000 0.440 425 P HA 0.323 nan 4.420 nan 0.000 0.274 425 P C -0.644 176.807 177.300 0.251 0.000 1.246 425 P CA -0.320 62.875 63.100 0.158 0.000 0.795 425 P CB 1.191 32.953 31.700 0.104 0.000 1.006 426 L N 1.302 122.621 121.223 0.159 0.000 2.431 426 L HA 0.454 4.794 4.340 0.000 0.000 0.260 426 L C -1.862 174.998 176.870 -0.017 0.000 1.098 426 L CA -1.984 52.939 54.840 0.138 0.000 0.800 426 L CB 0.303 42.367 42.059 0.009 0.000 1.210 426 L HN 0.281 nan 8.230 nan 0.000 0.465 427 P HA 0.353 nan 4.420 nan 0.000 0.284 427 P C -2.626 174.505 177.300 -0.282 0.000 1.292 427 P CA -1.528 61.351 63.100 -0.367 0.000 0.800 427 P CB -0.040 31.434 31.700 -0.376 0.000 1.188 428 P HA 0.152 nan 4.420 nan 0.000 0.269 428 P C -0.102 177.212 177.300 0.022 0.000 1.209 428 P CA 0.466 63.476 63.100 -0.150 0.000 0.776 428 P CB 0.261 31.884 31.700 -0.127 0.000 0.876 429 L N 0.975 122.179 121.223 -0.032 0.000 2.959 429 L HA 0.233 4.573 4.340 0.000 0.000 0.259 429 L C 0.410 177.068 176.870 -0.353 0.000 1.185 429 L CA 0.094 54.880 54.840 -0.090 0.000 0.998 429 L CB 0.105 42.130 42.059 -0.056 0.000 1.337 429 L HN 0.477 nan 8.230 nan 0.000 0.555 430 T N -6.296 108.088 114.554 -0.282 0.000 2.894 430 T HA 0.362 4.712 4.350 0.000 0.000 0.309 430 T C 0.454 175.146 174.700 -0.012 0.000 1.208 430 T CA -0.595 61.407 62.100 -0.162 0.000 1.016 430 T CB 1.295 70.155 68.868 -0.014 0.000 1.192 430 T HN -0.196 nan 8.240 nan 0.000 0.491 431 F N 1.751 121.646 119.950 -0.092 0.000 2.120 431 F HA 0.086 4.613 4.527 0.000 0.000 0.300 431 F C 2.752 178.566 175.800 0.023 0.000 1.095 431 F CA 2.332 60.343 58.000 0.019 0.000 1.249 431 F CB -0.903 38.138 39.000 0.069 0.000 0.995 431 F HN 0.865 nan 8.300 nan 0.000 0.480 432 G N -1.533 107.392 108.800 0.207 0.000 2.501 432 G HA2 -0.193 3.767 3.960 0.000 0.000 0.220 432 G HA3 -0.193 3.767 3.960 0.000 0.000 0.220 432 G C 1.598 176.542 174.900 0.072 0.000 1.114 432 G CA 0.603 45.773 45.100 0.116 0.000 0.757 432 G HN 0.261 nan 8.290 nan 0.000 0.559 433 Q N -0.534 119.299 119.800 0.055 0.000 2.396 433 Q HA 0.019 4.359 4.340 0.000 0.000 0.220 433 Q C 2.811 178.837 176.000 0.044 0.000 0.900 433 Q CA 1.314 57.137 55.803 0.034 0.000 0.925 433 Q CB 0.099 28.840 28.738 0.006 0.000 1.065 433 Q HN 0.615 nan 8.270 nan 0.000 0.535 434 T N -1.096 113.490 114.554 0.052 0.000 2.809 434 T HA 0.064 4.414 4.350 0.000 0.000 0.260 434 T C 1.969 176.721 174.700 0.087 0.000 1.039 434 T CA 1.264 63.423 62.100 0.099 0.000 1.141 434 T CB -0.155 68.773 68.868 0.099 0.000 0.869 434 T HN 0.111 nan 8.240 nan 0.000 0.437 435 A N 3.465 126.305 122.820 0.033 0.000 1.873 435 A HA -0.004 4.316 4.320 0.000 0.000 0.218 435 A C 0.894 178.491 177.584 0.022 0.000 1.193 435 A CA 1.794 53.839 52.037 0.012 0.000 0.629 435 A CB -1.787 17.229 19.000 0.026 0.000 0.826 435 A HN 0.661 nan 8.150 nan 0.000 0.447 436 P HA -0.075 nan 4.420 nan 0.000 0.223 436 P C 0.096 177.417 177.300 0.035 0.000 1.151 436 P CA 0.948 64.066 63.100 0.029 0.000 0.787 436 P CB -0.127 31.592 31.700 0.032 0.000 0.788 437 N N -0.388 118.348 118.700 0.060 0.000 2.214 437 N HA 0.045 4.785 4.740 0.000 0.000 0.214 437 N C 0.010 175.566 175.510 0.077 0.000 1.132 437 N CA 0.149 53.245 53.050 0.078 0.000 0.856 437 N CB 0.075 38.628 38.487 0.110 0.000 1.020 437 N HN 0.151 nan 8.380 nan 0.000 0.509 438 N N 1.140 119.857 118.700 0.027 0.000 2.558 438 N HA 0.190 4.930 4.740 0.000 0.000 0.285 438 N C -2.264 173.200 175.510 -0.077 0.000 1.112 438 N CA -1.230 51.780 53.050 -0.066 0.000 0.857 438 N CB 2.359 40.755 38.487 -0.151 0.000 1.376 438 N HN -0.147 nan 8.380 nan 0.000 0.526 439 P HA 0.021 nan 4.420 nan 0.000 0.229 439 P C 0.270 177.517 177.300 -0.088 0.000 1.160 439 P CA 0.585 63.644 63.100 -0.068 0.000 0.777 439 P CB 0.541 32.210 31.700 -0.052 0.000 0.814 440 K N 0.117 120.446 120.400 -0.118 0.000 2.708 440 K HA 0.208 4.528 4.320 0.000 0.000 0.219 440 K C 0.698 177.207 176.600 -0.150 0.000 1.068 440 K CA -0.721 55.488 56.287 -0.130 0.000 1.212 440 K CB -0.193 32.222 32.500 -0.141 0.000 0.978 440 K HN 0.193 nan 8.250 nan 0.000 0.475 441 I N 1.291 121.779 120.570 -0.137 0.000 2.720 441 I HA 0.084 4.254 4.170 0.000 0.000 0.287 441 I C 0.390 176.417 176.117 -0.150 0.000 1.090 441 I CA 0.167 61.381 61.300 -0.143 0.000 1.384 441 I CB 0.640 38.569 38.000 -0.118 0.000 1.420 441 I HN 0.148 nan 8.210 nan 0.000 0.575 442 E N 4.055 124.150 120.200 -0.173 0.000 2.290 442 E HA 0.314 4.664 4.350 0.000 0.000 0.274 442 E C -1.145 175.202 176.600 -0.422 0.000 0.889 442 E CA -0.613 55.658 56.400 -0.215 0.000 0.760 442 E CB 2.417 32.043 29.700 -0.123 0.000 1.206 442 E HN 0.353 nan 8.360 nan 0.000 0.419 443 Q N 2.647 122.145 119.800 -0.502 0.000 2.284 443 Q HA 0.476 4.816 4.340 0.000 0.000 0.269 443 Q C -1.626 173.997 176.000 -0.628 0.000 1.026 443 Q CA -0.270 55.114 55.803 -0.698 0.000 0.831 443 Q CB 2.511 31.048 28.738 -0.336 0.000 1.322 443 Q HN 0.718 nan 8.270 nan 0.000 0.419 444 T N 1.757 115.778 114.554 -0.889 0.000 2.649 444 T HA 0.532 4.882 4.350 0.000 0.000 0.305 444 T C -1.157 173.376 174.700 -0.279 0.000 1.409 444 T CA -0.458 61.378 62.100 -0.440 0.000 1.021 444 T CB 0.603 69.316 68.868 -0.259 0.000 1.726 444 T HN 0.495 nan 8.240 nan 0.000 0.475 445 L N 2.168 123.398 121.223 0.010 0.000 2.395 445 L HA 0.393 4.733 4.340 0.000 0.000 0.269 445 L C 1.741 178.847 176.870 0.392 0.000 1.133 445 L CA -0.615 54.345 54.840 0.200 0.000 0.812 445 L CB 1.205 43.352 42.059 0.146 0.000 1.125 445 L HN 0.500 nan 8.230 nan 0.000 0.452 446 V N 2.107 122.297 119.914 0.460 0.000 2.427 446 V HA -0.237 3.883 4.120 0.000 0.000 0.248 446 V C 2.308 178.572 176.094 0.283 0.000 1.051 446 V CA 2.053 64.630 62.300 0.461 0.000 1.048 446 V CB -0.694 31.349 31.823 0.367 0.000 0.666 446 V HN 0.943 nan 8.190 nan 0.000 0.456 447 K N 0.288 120.818 120.400 0.216 0.000 2.439 447 K HA -0.183 4.137 4.320 0.000 0.000 0.197 447 K C 1.568 178.253 176.600 0.142 0.000 1.041 447 K CA 1.758 58.135 56.287 0.149 0.000 0.970 447 K CB -0.200 32.370 32.500 0.117 0.000 0.773 447 K HN 0.463 nan 8.250 nan 0.000 0.479 448 D N 1.881 122.387 120.400 0.177 0.000 2.144 448 D HA -0.114 4.526 4.640 0.000 0.000 0.207 448 D C 1.671 178.071 176.300 0.167 0.000 0.970 448 D CA 1.975 56.066 54.000 0.151 0.000 0.853 448 D CB 0.079 40.963 40.800 0.140 0.000 1.007 448 D HN 0.340 nan 8.370 nan 0.000 0.469 449 T N -2.277 112.425 114.554 0.246 0.000 3.054 449 T HA 0.237 4.587 4.350 0.000 0.000 0.255 449 T C 1.243 176.029 174.700 0.143 0.000 1.035 449 T CA -0.248 61.983 62.100 0.218 0.000 0.941 449 T CB -0.175 68.902 68.868 0.347 0.000 1.026 449 T HN 0.250 nan 8.240 nan 0.000 0.533 450 L N 0.652 121.960 121.223 0.141 0.000 3.865 450 L HA -0.180 4.160 4.340 0.000 0.000 0.408 450 L C 0.953 177.837 176.870 0.024 0.000 1.209 450 L CA 0.432 55.318 54.840 0.078 0.000 0.940 450 L CB -2.003 40.081 42.059 0.042 0.000 1.971 450 L HN 0.969 nan 8.230 nan 0.000 0.899 451 G N -1.142 107.663 108.800 0.009 0.000 2.352 451 G HA2 0.158 4.118 3.960 0.000 0.000 0.324 451 G HA3 0.158 4.118 3.960 0.000 0.000 0.324 451 G C -0.518 174.052 174.900 -0.550 0.000 1.249 451 G CA 0.052 45.046 45.100 -0.177 0.000 1.053 451 G HN 0.942 nan 8.290 nan 0.000 0.492 452 S N -1.469 113.858 115.700 -0.621 0.000 2.709 452 S HA 0.830 5.300 4.470 0.000 0.000 0.302 452 S C -1.339 173.149 174.600 -0.187 0.000 1.127 452 S CA -0.507 57.217 58.200 -0.793 0.000 0.905 452 S CB 2.620 64.975 63.200 -1.408 0.000 1.151 452 S HN 2.138 nan 8.310 nan 0.000 0.510 453 Y N 0.487 120.652 120.300 -0.226 0.000 2.330 453 Y HA 0.606 5.156 4.550 0.000 0.000 0.324 453 Y C -2.077 173.811 175.900 -0.021 0.000 1.093 453 Y CA -1.510 56.559 58.100 -0.052 0.000 1.103 453 Y CB 0.870 39.360 38.460 0.051 0.000 1.183 453 Y HN 0.811 nan 8.280 nan 0.000 0.433 454 L N 7.046 128.163 121.223 -0.177 0.000 2.333 454 L HA 0.759 5.099 4.340 0.000 0.000 0.280 454 L C -0.972 175.724 176.870 -0.290 0.000 1.004 454 L CA -1.239 53.444 54.840 -0.262 0.000 0.820 454 L CB 1.827 43.719 42.059 -0.279 0.000 1.247 454 L HN 0.347 nan 8.230 nan 0.000 0.416 455 V N 2.308 122.072 119.914 -0.250 0.000 2.407 455 V HA 0.357 4.477 4.120 0.000 0.000 0.291 455 V C 0.175 176.150 176.094 -0.199 0.000 1.018 455 V CA -0.732 61.433 62.300 -0.225 0.000 0.842 455 V CB 1.206 32.843 31.823 -0.312 0.000 0.996 455 V HN 0.622 nan 8.190 nan 0.000 0.426 456 H N 2.508 121.589 119.070 0.018 0.000 2.660 456 H HA 0.569 5.125 4.556 0.000 0.000 0.374 456 H C 0.372 175.586 175.328 -0.190 0.000 1.291 456 H CA 0.496 56.546 56.048 0.004 0.000 1.437 456 H CB 1.697 31.555 29.762 0.160 0.000 1.509 456 H HN 0.778 nan 8.280 nan 0.000 0.614 457 S N 0.046 115.768 115.700 0.036 0.000 2.565 457 S HA 0.198 4.668 4.470 0.000 0.000 0.269 457 S C -0.798 173.931 174.600 0.215 0.000 1.153 457 S CA -1.257 56.976 58.200 0.055 0.000 0.835 457 S CB 2.363 65.485 63.200 -0.130 0.000 1.122 457 S HN 0.605 nan 8.310 nan 0.000 0.462 458 K N 1.022 121.630 120.400 0.346 0.000 2.436 458 K HA 0.226 4.546 4.320 0.000 0.000 0.282 458 K C 0.013 176.629 176.600 0.027 0.000 1.044 458 K CA 0.086 56.416 56.287 0.071 0.000 1.028 458 K CB 0.142 32.474 32.500 -0.280 0.000 0.919 458 K HN 0.846 nan 8.250 nan 0.000 0.474 459 M N 4.296 123.902 119.600 0.010 0.000 2.151 459 M HA 0.107 4.587 4.480 0.000 0.000 0.382 459 M C 0.602 176.904 176.300 0.004 0.000 0.861 459 M CA 0.078 55.384 55.300 0.010 0.000 1.088 459 M CB 0.564 33.183 32.600 0.031 0.000 2.060 459 M HN 0.583 nan 8.290 nan 0.000 0.695 460 R N -0.352 120.144 120.500 -0.007 0.000 2.287 460 R HA 0.283 4.623 4.340 0.000 0.000 0.197 460 R C -0.025 176.258 176.300 -0.029 0.000 0.900 460 R CA 0.163 56.262 56.100 -0.002 0.000 1.052 460 R CB 0.563 30.876 30.300 0.022 0.000 1.117 460 R HN 0.105 nan 8.270 nan 0.000 0.568 461 N N 0.208 118.867 118.700 -0.069 0.000 2.295 461 N HA 0.231 4.971 4.740 0.000 0.000 0.293 461 N C -2.407 173.023 175.510 -0.133 0.000 1.040 461 N CA -2.209 50.790 53.050 -0.086 0.000 0.840 461 N CB 2.163 40.597 38.487 -0.088 0.000 1.468 461 N HN -0.320 nan 8.380 nan 0.000 0.478 462 P HA -0.070 nan 4.420 nan 0.000 0.225 462 P C -0.309 176.914 177.300 -0.130 0.000 1.148 462 P CA 0.844 63.887 63.100 -0.096 0.000 0.779 462 P CB 0.206 31.877 31.700 -0.050 0.000 0.780 463 V N -5.265 114.563 119.914 -0.143 0.000 2.823 463 V HA 0.476 4.596 4.120 0.000 0.000 0.312 463 V C -0.569 175.435 176.094 -0.151 0.000 1.072 463 V CA -1.444 60.794 62.300 -0.104 0.000 0.937 463 V CB 1.468 33.274 31.823 -0.028 0.000 1.013 463 V HN -0.271 nan 8.190 nan 0.000 0.430 464 F N 3.105 123.033 119.950 -0.036 0.000 2.600 464 F HA 0.370 4.897 4.527 0.000 0.000 0.345 464 F C 0.895 176.661 175.800 -0.055 0.000 1.271 464 F CA 0.391 58.372 58.000 -0.032 0.000 1.138 464 F CB 0.198 39.169 39.000 -0.047 0.000 1.449 464 F HN 0.758 nan 8.300 nan 0.000 0.645 465 Q N 2.260 122.086 119.800 0.045 0.000 2.259 465 Q HA 0.385 4.725 4.340 0.000 0.000 0.246 465 Q C -0.800 175.171 176.000 -0.048 0.000 0.920 465 Q CA -0.963 54.834 55.803 -0.009 0.000 0.895 465 Q CB 1.039 29.753 28.738 -0.040 0.000 1.220 465 Q HN 0.389 nan 8.270 nan 0.000 0.439 466 L N 1.946 123.120 121.223 -0.083 0.000 2.439 466 L HA 0.449 4.789 4.340 0.000 0.000 0.261 466 L C 0.284 177.022 176.870 -0.220 0.000 1.153 466 L CA 0.508 55.252 54.840 -0.159 0.000 0.808 466 L CB 1.540 43.527 42.059 -0.121 0.000 1.126 466 L HN 0.808 nan 8.230 nan 0.000 0.460 467 T N 2.232 116.559 114.554 -0.378 0.000 2.916 467 T HA 0.565 4.915 4.350 0.000 0.000 0.305 467 T C -2.831 171.671 174.700 -0.330 0.000 1.119 467 T CA -1.670 60.220 62.100 -0.349 0.000 1.008 467 T CB 1.918 70.555 68.868 -0.384 0.000 1.129 467 T HN 0.210 nan 8.240 nan 0.000 0.480 468 P HA 0.225 nan 4.420 nan 0.000 0.264 468 P C 0.074 177.335 177.300 -0.066 0.000 1.193 468 P CA -0.006 63.017 63.100 -0.129 0.000 0.763 468 P CB 0.526 32.135 31.700 -0.153 0.000 0.810 469 A N 2.930 125.684 122.820 -0.109 0.000 1.968 469 A HA -0.042 4.278 4.320 0.000 0.000 0.217 469 A C 1.348 178.780 177.584 -0.253 0.000 1.169 469 A CA 1.250 53.079 52.037 -0.345 0.000 0.638 469 A CB -0.449 18.171 19.000 -0.634 0.000 0.812 469 A HN 0.498 nan 8.150 nan 0.000 0.446 470 S N 0.107 115.658 115.700 -0.247 0.000 2.434 470 S HA 0.345 4.815 4.470 0.000 0.000 0.318 470 S C 1.037 175.349 174.600 -0.480 0.000 1.062 470 S CA 0.081 58.094 58.200 -0.312 0.000 1.116 470 S CB 0.542 63.530 63.200 -0.354 0.000 0.977 470 S HN 0.560 nan 8.310 nan 0.000 0.480 471 S N 4.330 119.852 115.700 -0.297 0.000 2.528 471 S HA 0.188 4.658 4.470 0.000 0.000 0.219 471 S C 0.702 175.234 174.600 -0.114 0.000 0.985 471 S CA -0.185 57.875 58.200 -0.233 0.000 0.914 471 S CB -1.031 62.106 63.200 -0.105 0.000 0.776 471 S HN 0.920 nan 8.310 nan 0.000 0.526 472 F N 0.622 120.568 119.950 -0.007 0.000 3.074 472 F HA -0.181 4.346 4.527 0.000 0.000 0.289 472 F C 0.859 176.640 175.800 -0.031 0.000 0.863 472 F CA -0.049 57.954 58.000 0.004 0.000 1.121 472 F CB -1.525 37.477 39.000 0.004 0.000 1.169 472 F HN 0.647 nan 8.300 nan 0.000 0.570 473 G N -0.769 108.092 108.800 0.101 0.000 2.663 473 G HA2 0.832 4.792 3.960 0.000 0.000 0.299 473 G HA3 0.832 4.792 3.960 0.000 0.000 0.299 473 G C -1.760 173.091 174.900 -0.082 0.000 1.372 473 G CA -0.140 44.952 45.100 -0.013 0.000 0.781 473 G HN 0.576 nan 8.290 nan 0.000 0.491 474 A N -0.843 121.888 122.820 -0.148 0.000 2.350 474 A HA 0.827 5.147 4.320 0.000 0.000 0.318 474 A C -0.748 176.670 177.584 -0.278 0.000 1.132 474 A CA -0.698 51.204 52.037 -0.226 0.000 0.811 474 A CB 1.163 20.029 19.000 -0.224 0.000 1.313 474 A HN 0.639 nan 8.150 nan 0.000 0.454 475 I N 2.513 122.861 120.570 -0.370 0.000 2.412 475 I HA 0.214 4.384 4.170 0.000 0.000 0.279 475 I C 0.444 176.075 176.117 -0.810 0.000 1.063 475 I CA -0.064 60.938 61.300 -0.498 0.000 1.193 475 I CB 0.825 38.561 38.000 -0.440 0.000 1.370 475 I HN 0.677 nan 8.210 nan 0.000 0.479 476 S N 4.665 119.932 115.700 -0.722 0.000 2.730 476 S HA 0.745 5.215 4.470 0.000 0.000 0.284 476 S C -0.537 173.443 174.600 -1.035 0.000 1.153 476 S CA -0.574 57.156 58.200 -0.784 0.000 0.995 476 S CB 1.438 64.436 63.200 -0.337 0.000 1.058 476 S HN 0.235 nan 8.310 nan 0.000 0.552 477 F N -0.148 119.655 119.950 -0.244 0.000 2.598 477 F HA 0.746 5.273 4.527 0.000 0.000 0.327 477 F C 0.722 176.348 175.800 -0.289 0.000 1.057 477 F CA -0.728 57.127 58.000 -0.243 0.000 0.957 477 F CB 1.971 40.816 39.000 -0.259 0.000 1.278 477 F HN 0.854 nan 8.300 nan 0.000 0.484 478 T N -1.164 113.401 114.554 0.019 0.000 2.887 478 T HA 0.773 5.123 4.350 0.000 0.000 0.292 478 T C -1.358 173.358 174.700 0.026 0.000 1.087 478 T CA -0.819 61.286 62.100 0.009 0.000 1.009 478 T CB 2.226 71.150 68.868 0.095 0.000 1.203 478 T HN 0.685 nan 8.240 nan 0.000 0.518 479 N N 0.520 119.270 118.700 0.083 0.000 3.049 479 N HA 0.442 5.182 4.740 0.000 0.000 0.244 479 N C -3.190 172.391 175.510 0.120 0.000 1.203 479 N CA -1.148 51.943 53.050 0.068 0.000 0.945 479 N CB 1.843 40.334 38.487 0.007 0.000 1.616 479 N HN 0.545 nan 8.380 nan 0.000 0.505 480 P HA 0.196 nan 4.420 nan 0.000 0.265 480 P C 0.569 177.921 177.300 0.086 0.000 1.193 480 P CA 0.877 64.022 63.100 0.075 0.000 0.765 480 P CB 0.543 32.270 31.700 0.045 0.000 0.823 481 G N 2.049 110.899 108.800 0.083 0.000 2.195 481 G HA2 -0.261 3.699 3.960 0.000 0.000 0.246 481 G HA3 -0.261 3.699 3.960 0.000 0.000 0.246 481 G C -0.256 174.707 174.900 0.106 0.000 0.984 481 G CA -0.174 44.968 45.100 0.071 0.000 0.633 481 G HN 0.573 nan 8.290 nan 0.000 0.525 482 F N 2.225 122.178 119.950 0.004 0.000 2.394 482 F HA 0.638 5.165 4.527 0.000 0.000 0.340 482 F C -0.032 175.773 175.800 0.009 0.000 1.105 482 F CA -1.443 56.562 58.000 0.008 0.000 1.124 482 F CB 1.480 40.487 39.000 0.012 0.000 1.145 482 F HN 0.017 nan 8.300 nan 0.000 0.505 483 D N 5.083 124.903 120.400 -0.967 0.000 2.396 483 D HA 0.233 4.873 4.640 0.000 0.000 0.225 483 D C 0.804 176.502 176.300 -1.003 0.000 1.121 483 D CA -0.220 53.353 54.000 -0.713 0.000 0.853 483 D CB 0.692 41.244 40.800 -0.413 0.000 1.043 483 D HN 0.638 nan 8.370 nan 0.000 0.500 484 R N 2.542 122.752 120.500 -0.484 0.000 2.341 484 R HA -0.026 4.314 4.340 0.000 0.000 0.213 484 R C 0.935 177.163 176.300 -0.120 0.000 1.082 484 R CA 0.388 56.400 56.100 -0.147 0.000 1.017 484 R CB -0.005 30.320 30.300 0.042 0.000 0.860 484 R HN 0.453 nan 8.270 nan 0.000 0.473 485 N N 0.493 119.083 118.700 -0.183 0.000 2.515 485 N HA -0.036 4.704 4.740 0.000 0.000 0.185 485 N C 1.261 176.718 175.510 -0.088 0.000 1.109 485 N CA 0.675 53.661 53.050 -0.106 0.000 0.903 485 N CB 0.264 38.692 38.487 -0.097 0.000 0.969 485 N HN 0.294 nan 8.380 nan 0.000 0.450 486 L N 0.181 121.323 121.223 -0.134 0.000 2.492 486 L HA 0.056 4.396 4.340 0.000 0.000 0.223 486 L C -0.142 176.769 176.870 0.068 0.000 1.132 486 L CA 0.327 55.145 54.840 -0.038 0.000 0.850 486 L CB -0.115 41.906 42.059 -0.063 0.000 0.966 486 L HN -0.157 nan 8.230 nan 0.000 0.454 487 D N 1.643 122.096 120.400 0.089 0.000 2.371 487 D HA 0.233 4.873 4.640 0.000 0.000 0.256 487 D C 0.049 176.365 176.300 0.026 0.000 1.193 487 D CA 0.385 54.443 54.000 0.095 0.000 0.881 487 D CB 1.170 42.026 40.800 0.093 0.000 1.143 487 D HN 0.026 nan 8.370 nan 0.000 0.473 488 L N 4.789 126.023 121.223 0.019 0.000 2.350 488 L HA 0.305 4.645 4.340 0.000 0.000 0.275 488 L C -1.718 175.124 176.870 -0.046 0.000 1.099 488 L CA -1.675 53.164 54.840 -0.002 0.000 0.808 488 L CB 0.814 42.887 42.059 0.024 0.000 1.149 488 L HN 0.151 nan 8.230 nan 0.000 0.442 489 P HA 0.376 nan 4.420 nan 0.000 0.275 489 P C -0.110 177.098 177.300 -0.155 0.000 1.228 489 P CA 0.107 63.117 63.100 -0.150 0.000 0.786 489 P CB 1.752 33.341 31.700 -0.185 0.000 0.927 490 G N 0.885 109.548 108.800 -0.229 0.000 2.347 490 G HA2 0.093 4.053 3.960 0.000 0.000 0.224 490 G HA3 0.093 4.053 3.960 0.000 0.000 0.224 490 G C -1.210 173.508 174.900 -0.304 0.000 1.318 490 G CA -0.658 44.347 45.100 -0.157 0.000 1.016 490 G HN 0.261 nan 8.290 nan 0.000 0.469 491 F N 2.463 122.376 119.950 -0.061 0.000 2.764 491 F HA 0.520 5.047 4.527 0.000 0.000 0.310 491 F C 1.478 177.254 175.800 -0.039 0.000 1.124 491 F CA 0.095 58.067 58.000 -0.046 0.000 1.252 491 F CB 0.965 39.952 39.000 -0.023 0.000 1.010 491 F HN 0.684 nan 8.300 nan 0.000 0.518 492 G N -0.257 108.586 108.800 0.073 0.000 2.508 492 G HA2 0.510 4.470 3.960 0.000 0.000 0.278 492 G HA3 0.510 4.470 3.960 0.000 0.000 0.278 492 G C 0.467 175.333 174.900 -0.057 0.000 1.389 492 G CA 0.212 45.326 45.100 0.024 0.000 1.050 492 G HN 0.633 nan 8.290 nan 0.000 0.522 493 G N -1.757 106.985 108.800 -0.097 0.000 2.760 493 G HA2 -0.117 3.843 3.960 0.000 0.000 0.246 493 G HA3 -0.117 3.843 3.960 0.000 0.000 0.246 493 G C -0.146 174.553 174.900 -0.335 0.000 1.359 493 G CA -0.281 44.709 45.100 -0.183 0.000 0.861 493 G HN 0.953 nan 8.290 nan 0.000 0.541 494 I N 1.544 121.835 120.570 -0.466 0.000 2.406 494 I HA 0.160 4.330 4.170 0.000 0.000 0.293 494 I C 1.121 176.677 176.117 -0.935 0.000 1.101 494 I CA -0.294 60.417 61.300 -0.982 0.000 1.334 494 I CB 0.441 38.089 38.000 -0.587 0.000 1.421 494 I HN 0.233 nan 8.210 nan 0.000 0.513 495 R N 5.108 124.939 120.500 -1.116 0.000 2.609 495 R HA 0.224 4.564 4.340 0.000 0.000 0.271 495 R C -0.727 175.407 176.300 -0.277 0.000 1.403 495 R CA -0.008 55.847 56.100 -0.408 0.000 1.138 495 R CB -0.341 29.954 30.300 -0.008 0.000 1.142 495 R HN 0.587 nan 8.270 nan 0.000 0.559 496 D N -0.579 119.672 120.400 -0.249 0.000 2.677 496 D HA 0.218 4.858 4.640 0.000 0.000 0.298 496 D C -1.230 175.030 176.300 -0.067 0.000 1.250 496 D CA -0.383 53.556 54.000 -0.101 0.000 0.888 496 D CB 1.878 42.599 40.800 -0.132 0.000 1.397 496 D HN 0.134 nan 8.370 nan 0.000 0.461 497 S N 0.193 115.898 115.700 0.007 0.000 2.537 497 S HA 0.721 5.191 4.470 0.000 0.000 0.301 497 S C -1.350 173.309 174.600 0.098 0.000 1.092 497 S CA -0.609 57.614 58.200 0.039 0.000 1.048 497 S CB 0.772 64.020 63.200 0.079 0.000 1.053 497 S HN 0.359 nan 8.310 nan 0.000 0.501 498 L N 3.619 124.892 121.223 0.084 0.000 2.322 498 L HA 0.553 4.893 4.340 0.000 0.000 0.281 498 L C -0.215 176.738 176.870 0.137 0.000 1.014 498 L CA -0.317 54.587 54.840 0.107 0.000 0.815 498 L CB 1.542 43.623 42.059 0.037 0.000 1.247 498 L HN 0.823 nan 8.230 nan 0.000 0.421 499 D N 2.219 122.734 120.400 0.192 0.000 2.390 499 D HA 0.032 4.672 4.640 0.000 0.000 0.236 499 D C 0.748 177.081 176.300 0.056 0.000 1.189 499 D CA 0.338 54.417 54.000 0.131 0.000 0.887 499 D CB 1.063 41.978 40.800 0.192 0.000 1.198 499 D HN 0.371 nan 8.370 nan 0.000 0.444 500 V N 1.921 121.833 119.914 -0.003 0.000 3.431 500 V HA 0.045 4.165 4.120 0.000 0.000 0.253 500 V C 1.254 177.351 176.094 0.005 0.000 1.184 500 V CA 0.630 62.923 62.300 -0.011 0.000 1.104 500 V CB -0.366 31.422 31.823 -0.058 0.000 0.799 500 V HN 0.563 nan 8.190 nan 0.000 0.462 501 N N -1.143 117.568 118.700 0.019 0.000 2.516 501 N HA 0.183 4.923 4.740 0.000 0.000 0.197 501 N C 0.809 176.347 175.510 0.046 0.000 1.064 501 N CA -0.001 53.040 53.050 -0.014 0.000 0.866 501 N CB 0.142 38.560 38.487 -0.115 0.000 1.255 501 N HN 0.292 nan 8.380 nan 0.000 0.447 502 M N 2.256 121.933 119.600 0.128 0.000 2.250 502 M HA 0.017 4.497 4.480 0.000 0.000 0.325 502 M C 0.803 177.218 176.300 0.192 0.000 1.084 502 M CA -0.214 55.199 55.300 0.188 0.000 1.161 502 M CB 0.536 33.259 32.600 0.204 0.000 1.481 502 M HN 0.204 nan 8.290 nan 0.000 0.449 503 S N 1.295 117.151 115.700 0.261 0.000 2.681 503 S HA 0.636 5.106 4.470 0.000 0.000 0.270 503 S C -0.242 174.601 174.600 0.405 0.000 1.209 503 S CA -0.852 57.522 58.200 0.291 0.000 0.988 503 S CB 0.892 64.255 63.200 0.271 0.000 1.006 503 S HN 0.706 nan 8.310 nan 0.000 0.558 504 T N 1.180 115.905 114.554 0.286 0.000 2.807 504 T HA 0.749 5.099 4.350 0.000 0.000 0.279 504 T C -0.263 174.469 174.700 0.053 0.000 0.993 504 T CA -0.355 61.842 62.100 0.161 0.000 0.970 504 T CB 1.292 70.087 68.868 -0.123 0.000 0.950 504 T HN 0.998 nan 8.240 nan 0.000 0.441 505 A N 2.251 125.027 122.820 -0.074 0.000 2.354 505 A HA 0.951 5.271 4.320 0.000 0.000 0.321 505 A C -0.884 176.531 177.584 -0.281 0.000 1.125 505 A CA -0.789 50.975 52.037 -0.456 0.000 0.799 505 A CB 1.619 20.045 19.000 -0.958 0.000 1.293 505 A HN 0.736 nan 8.150 nan 0.000 0.452 506 V N 0.018 119.748 119.914 -0.308 0.000 3.012 506 V HA 0.649 4.769 4.120 0.000 0.000 0.307 506 V C -1.434 174.409 176.094 -0.419 0.000 1.166 506 V CA -0.359 61.755 62.300 -0.310 0.000 0.974 506 V CB 1.681 33.328 31.823 -0.293 0.000 1.040 506 V HN 1.546 nan 8.190 nan 0.000 0.428 507 C N 6.222 125.236 119.300 -0.477 0.000 2.608 507 C HA 0.770 5.230 4.460 0.000 0.000 0.325 507 C C -1.320 173.344 174.990 -0.544 0.000 1.147 507 C CA -0.334 58.391 59.018 -0.490 0.000 1.359 507 C CB 0.967 28.502 27.740 -0.343 0.000 1.912 507 C HN 1.008 nan 8.230 nan 0.000 0.466 508 H N 4.066 122.954 119.070 -0.303 0.000 2.489 508 H HA 0.527 5.083 4.556 0.000 0.000 0.343 508 H C -1.096 174.088 175.328 -0.240 0.000 1.086 508 H CA -0.335 55.611 56.048 -0.170 0.000 1.198 508 H CB 1.168 30.852 29.762 -0.130 0.000 1.490 508 H HN 0.576 nan 8.280 nan 0.000 0.504 509 F N 1.938 121.998 119.950 0.184 0.000 2.444 509 F HA 0.428 4.955 4.527 0.000 0.000 0.342 509 F C 0.599 176.321 175.800 -0.131 0.000 1.121 509 F CA -0.804 57.217 58.000 0.035 0.000 0.997 509 F CB 1.534 40.456 39.000 -0.129 0.000 1.130 509 F HN 0.224 nan 8.300 nan 0.000 0.454 510 R N 0.872 121.237 120.500 -0.225 0.000 2.599 510 R HA 0.572 4.912 4.340 0.000 0.000 0.295 510 R C -0.293 175.674 176.300 -0.555 0.000 0.963 510 R CA -0.698 55.083 56.100 -0.532 0.000 0.883 510 R CB 1.424 31.104 30.300 -1.033 0.000 1.171 510 R HN 0.589 nan 8.270 nan 0.000 0.450 511 S N 2.203 117.728 115.700 -0.291 0.000 3.749 511 S HA -0.168 4.303 4.470 0.000 0.000 0.348 511 S C -0.168 174.392 174.600 -0.068 0.000 1.045 511 S CA 0.458 58.585 58.200 -0.121 0.000 1.051 511 S CB -1.627 61.565 63.200 -0.012 0.000 0.898 511 S HN 0.494 nan 8.310 nan 0.000 0.472 512 L N 1.346 122.480 121.223 -0.148 0.000 2.371 512 L HA 0.442 4.782 4.340 0.000 0.000 0.272 512 L C 1.028 177.969 176.870 0.119 0.000 1.124 512 L CA -0.230 54.556 54.840 -0.092 0.000 0.816 512 L CB 1.240 43.071 42.059 -0.380 0.000 1.129 512 L HN 0.382 nan 8.230 nan 0.000 0.448 513 S N 1.553 117.352 115.700 0.165 0.000 2.572 513 S HA 0.046 4.516 4.470 0.000 0.000 0.279 513 S C 1.047 175.845 174.600 0.330 0.000 1.341 513 S CA -0.284 58.033 58.200 0.196 0.000 1.043 513 S CB 0.650 63.923 63.200 0.123 0.000 0.887 513 S HN 0.621 nan 8.310 nan 0.000 0.516 514 K N 2.246 122.763 120.400 0.194 0.000 2.439 514 K HA 0.013 4.333 4.320 0.000 0.000 0.197 514 K C 1.284 177.862 176.600 -0.037 0.000 1.041 514 K CA 0.722 56.993 56.287 -0.028 0.000 0.970 514 K CB -0.066 32.338 32.500 -0.159 0.000 0.773 514 K HN 0.463 nan 8.250 nan 0.000 0.479 515 S N 0.442 116.170 115.700 0.046 0.000 2.631 515 S HA 0.001 4.471 4.470 0.000 0.000 0.217 515 S C 0.309 174.953 174.600 0.074 0.000 0.958 515 S CA -0.226 57.992 58.200 0.030 0.000 0.920 515 S CB -0.180 63.036 63.200 0.027 0.000 0.776 515 S HN 0.320 nan 8.310 nan 0.000 0.517 516 C N 2.827 122.224 119.300 0.161 0.000 2.379 516 C HA 0.796 5.256 4.460 0.000 0.000 0.323 516 C C 0.319 175.479 174.990 0.283 0.000 1.262 516 C CA -0.670 58.458 59.018 0.184 0.000 1.581 516 C CB 0.373 28.217 27.740 0.173 0.000 2.221 516 C HN 0.442 nan 8.230 nan 0.000 0.497 517 S N 5.481 121.290 115.700 0.182 0.000 2.689 517 S HA 0.791 5.261 4.470 0.000 0.000 0.306 517 S C -0.957 173.704 174.600 0.100 0.000 1.104 517 S CA -0.684 57.652 58.200 0.228 0.000 0.973 517 S CB 1.218 64.506 63.200 0.146 0.000 1.121 517 S HN 0.755 nan 8.310 nan 0.000 0.523 518 I N 2.133 122.752 120.570 0.082 0.000 2.411 518 I HA 0.315 4.485 4.170 0.000 0.000 0.284 518 I C -0.970 175.148 176.117 0.002 0.000 1.012 518 I CA -0.959 60.295 61.300 -0.076 0.000 1.119 518 I CB 1.866 39.686 38.000 -0.301 0.000 1.261 518 I HN 0.436 nan 8.210 nan 0.000 0.448 519 V N 4.989 124.900 119.914 -0.005 0.000 2.488 519 V HA 0.187 4.307 4.120 0.000 0.000 0.277 519 V C 0.685 176.790 176.094 0.018 0.000 1.046 519 V CA -0.288 62.030 62.300 0.029 0.000 0.986 519 V CB 1.176 33.008 31.823 0.015 0.000 0.989 519 V HN 0.815 nan 8.190 nan 0.000 0.475 520 T N 2.257 116.854 114.554 0.071 0.000 2.756 520 T HA 0.443 4.793 4.350 0.000 0.000 0.290 520 T C -0.508 174.226 174.700 0.057 0.000 0.985 520 T CA -0.821 61.314 62.100 0.058 0.000 0.955 520 T CB 0.832 69.753 68.868 0.090 0.000 0.930 520 T HN 0.658 nan 8.240 nan 0.000 0.451 521 K N 3.465 123.890 120.400 0.042 0.000 2.292 521 K HA 0.396 4.716 4.320 0.000 0.000 0.270 521 K C -0.295 176.365 176.600 0.099 0.000 1.062 521 K CA -0.453 55.849 56.287 0.025 0.000 0.916 521 K CB 0.682 33.209 32.500 0.044 0.000 1.166 521 K HN 0.792 nan 8.250 nan 0.000 0.458 522 T N 2.764 117.348 114.554 0.050 0.000 2.797 522 T HA 0.377 4.727 4.350 0.000 0.000 0.279 522 T C -1.280 173.472 174.700 0.085 0.000 0.991 522 T CA -0.474 61.718 62.100 0.152 0.000 0.979 522 T CB 0.461 69.449 68.868 0.200 0.000 0.943 522 T HN 0.415 nan 8.240 nan 0.000 0.444 523 Y N 2.676 123.085 120.300 0.182 0.000 2.328 523 Y HA 0.534 5.084 4.550 0.000 0.000 0.336 523 Y C 0.318 176.374 175.900 0.260 0.000 0.960 523 Y CA -0.706 57.528 58.100 0.224 0.000 1.134 523 Y CB 2.075 40.698 38.460 0.272 0.000 1.166 523 Y HN 0.687 nan 8.280 nan 0.000 0.464 524 Q N 2.349 122.347 119.800 0.330 0.000 2.274 524 Q HA 0.634 4.974 4.340 0.000 0.000 0.268 524 Q C -0.972 175.054 176.000 0.044 0.000 1.015 524 Q CA -0.718 55.206 55.803 0.201 0.000 0.775 524 Q CB 1.737 30.570 28.738 0.159 0.000 1.256 524 Q HN 0.940 nan 8.270 nan 0.000 0.442 525 G N 3.984 112.537 108.800 -0.412 0.000 2.379 525 G HA2 0.663 4.623 3.960 0.000 0.000 0.327 525 G HA3 0.663 4.623 3.960 0.000 0.000 0.327 525 G C -1.291 173.530 174.900 -0.133 0.000 1.145 525 G CA -0.478 44.239 45.100 -0.637 0.000 0.905 525 G HN 0.600 nan 8.290 nan 0.000 0.466 526 W N 1.734 122.970 121.300 -0.107 0.000 3.107 526 W HA 0.777 5.437 4.660 0.000 0.000 0.331 526 W C -1.418 175.150 176.519 0.082 0.000 1.204 526 W CA -1.241 56.147 57.345 0.072 0.000 1.184 526 W CB 1.502 31.088 29.460 0.209 0.000 1.421 526 W HN 0.590 nan 8.180 nan 0.000 0.544 527 E N 1.101 121.487 120.200 0.310 0.000 2.266 527 E HA 0.671 5.021 4.350 0.000 0.000 0.268 527 E C -0.830 175.992 176.600 0.370 0.000 0.879 527 E CA -0.606 55.858 56.400 0.106 0.000 0.762 527 E CB 2.310 32.014 29.700 0.007 0.000 1.199 527 E HN 0.804 nan 8.360 nan 0.000 0.422 528 G N 1.097 110.080 108.800 0.305 0.000 2.692 528 G HA2 0.467 4.427 3.960 0.000 0.000 0.291 528 G HA3 0.467 4.427 3.960 0.000 0.000 0.291 528 G C -1.469 173.544 174.900 0.189 0.000 1.423 528 G CA -0.566 44.757 45.100 0.373 0.000 0.843 528 G HN 0.374 nan 8.290 nan 0.000 0.486 529 V N 1.345 121.317 119.914 0.097 0.000 2.398 529 V HA 0.556 4.676 4.120 0.000 0.000 0.286 529 V C 0.871 177.047 176.094 0.136 0.000 1.026 529 V CA -0.497 61.776 62.300 -0.045 0.000 0.868 529 V CB 0.943 32.613 31.823 -0.254 0.000 0.982 529 V HN 1.065 nan 8.190 nan 0.000 0.443 530 T N 1.521 116.241 114.554 0.276 0.000 2.828 530 T HA 0.402 4.752 4.350 0.000 0.000 0.290 530 T C 0.249 175.110 174.700 0.269 0.000 1.019 530 T CA -0.028 62.255 62.100 0.306 0.000 1.031 530 T CB 2.004 71.080 68.868 0.346 0.000 1.001 530 T HN 0.675 nan 8.240 nan 0.000 0.531 531 N N -0.431 118.378 118.700 0.182 0.000 3.174 531 N HA 0.197 4.937 4.740 0.000 0.000 0.286 531 N C -1.224 174.338 175.510 0.086 0.000 1.151 531 N CA 0.057 53.190 53.050 0.137 0.000 1.386 531 N CB 0.453 39.001 38.487 0.102 0.000 0.951 531 N HN 0.541 nan 8.380 nan 0.000 1.170 532 V N 1.871 121.820 119.914 0.059 0.000 2.914 532 V HA 0.438 4.558 4.120 0.000 0.000 0.314 532 V C -0.822 175.280 176.094 0.014 0.000 1.084 532 V CA -0.982 61.338 62.300 0.034 0.000 0.963 532 V CB 1.635 33.476 31.823 0.029 0.000 1.025 532 V HN 0.516 nan 8.190 nan 0.000 0.432 533 N N 1.188 119.889 118.700 0.002 0.000 2.689 533 N HA -0.179 4.561 4.740 0.000 0.000 0.263 533 N C -0.111 175.370 175.510 -0.048 0.000 0.987 533 N CA 1.425 54.465 53.050 -0.017 0.000 0.782 533 N CB -0.617 37.860 38.487 -0.017 0.000 0.903 533 N HN 0.935 nan 8.380 nan 0.000 0.547 534 T N -1.428 113.098 114.554 -0.047 0.000 2.861 534 T HA 0.524 4.874 4.350 0.000 0.000 0.287 534 T C -1.858 172.791 174.700 -0.086 0.000 1.003 534 T CA -1.765 60.261 62.100 -0.124 0.000 0.977 534 T CB 1.815 70.640 68.868 -0.070 0.000 0.996 534 T HN -0.173 nan 8.240 nan 0.000 0.448 535 P HA 0.203 nan 4.420 nan 0.000 0.229 535 P C 0.843 178.387 177.300 0.405 0.000 1.160 535 P CA 0.651 63.788 63.100 0.062 0.000 0.777 535 P CB 0.042 31.773 31.700 0.052 0.000 0.814 536 F N -1.283 118.817 119.950 0.251 0.000 2.743 536 F HA 0.131 4.658 4.527 0.000 0.000 0.297 536 F C 2.422 178.378 175.800 0.260 0.000 1.131 536 F CA -0.097 58.131 58.000 0.379 0.000 1.426 536 F CB -0.709 38.518 39.000 0.378 0.000 1.116 536 F HN -0.040 nan 8.300 nan 0.000 0.583 537 G N 1.690 110.664 108.800 0.289 0.000 2.574 537 G HA2 -0.372 3.588 3.960 0.000 0.000 0.220 537 G HA3 -0.372 3.588 3.960 0.000 0.000 0.220 537 G C 1.533 176.443 174.900 0.017 0.000 1.173 537 G CA 1.297 46.484 45.100 0.144 0.000 0.772 537 G HN 0.520 nan 8.290 nan 0.000 0.585 538 Q N -0.623 119.077 119.800 -0.167 0.000 2.226 538 Q HA -0.010 4.330 4.340 0.000 0.000 0.204 538 Q C 1.945 177.738 176.000 -0.345 0.000 0.975 538 Q CA 1.212 56.812 55.803 -0.338 0.000 0.866 538 Q CB -0.501 27.939 28.738 -0.497 0.000 0.915 538 Q HN 0.541 nan 8.270 nan 0.000 0.440 539 F N 1.433 121.455 119.950 0.119 0.000 2.811 539 F HA 0.305 4.832 4.527 0.000 0.000 0.301 539 F C 1.103 177.044 175.800 0.234 0.000 1.151 539 F CA -0.225 57.876 58.000 0.169 0.000 1.412 539 F CB 0.110 39.171 39.000 0.103 0.000 1.113 539 F HN 0.068 nan 8.300 nan 0.000 0.579 540 A N 0.029 122.986 122.820 0.229 0.000 2.450 540 A HA 0.465 4.785 4.320 0.000 0.000 0.255 540 A C -0.572 177.019 177.584 0.012 0.000 1.096 540 A CA 0.087 52.266 52.037 0.237 0.000 0.778 540 A CB -0.027 19.136 19.000 0.273 0.000 1.031 540 A HN 0.401 nan 8.150 nan 0.000 0.494 541 H N -0.049 119.114 119.070 0.155 0.000 3.048 541 H HA 0.612 5.168 4.556 0.000 0.000 0.296 541 H C 0.463 175.880 175.328 0.150 0.000 1.508 541 H CA 0.158 56.274 56.048 0.113 0.000 1.250 541 H CB 1.026 30.831 29.762 0.071 0.000 1.896 541 H HN 0.741 nan 8.280 nan 0.000 0.604 542 S N -0.266 115.581 115.700 0.245 0.000 2.617 542 S HA 0.511 4.981 4.470 0.000 0.000 0.269 542 S C 0.748 175.417 174.600 0.115 0.000 1.292 542 S CA -0.388 57.921 58.200 0.181 0.000 1.010 542 S CB 0.936 64.218 63.200 0.136 0.000 0.944 542 S HN 0.829 nan 8.310 nan 0.000 0.536 543 G N 0.491 109.334 108.800 0.073 0.000 2.606 543 G HA2 0.452 4.412 3.960 0.000 0.000 0.252 543 G HA3 0.452 4.412 3.960 0.000 0.000 0.252 543 G C -0.284 174.607 174.900 -0.014 0.000 1.206 543 G CA -0.994 44.107 45.100 0.003 0.000 0.861 543 G HN 0.760 nan 8.290 nan 0.000 0.561 544 L N 0.021 121.207 121.223 -0.061 0.000 2.395 544 L HA 0.294 4.634 4.340 0.000 0.000 0.269 544 L C 0.484 177.304 176.870 -0.083 0.000 1.133 544 L CA -0.543 54.253 54.840 -0.073 0.000 0.812 544 L CB 0.916 42.908 42.059 -0.112 0.000 1.125 544 L HN 0.273 nan 8.230 nan 0.000 0.452 545 L N 1.825 123.001 121.223 -0.078 0.000 2.453 545 L HA 0.222 4.562 4.340 0.000 0.000 0.261 545 L C 0.501 177.303 176.870 -0.114 0.000 1.179 545 L CA -0.332 54.458 54.840 -0.084 0.000 0.813 545 L CB 0.287 42.287 42.059 -0.098 0.000 1.110 545 L HN 0.502 nan 8.230 nan 0.000 0.466 546 K N 1.891 122.229 120.400 -0.104 0.000 2.489 546 K HA -0.030 4.290 4.320 0.000 0.000 0.278 546 K C -0.150 176.355 176.600 -0.157 0.000 1.000 546 K CA 0.239 56.452 56.287 -0.124 0.000 1.012 546 K CB 0.234 32.680 32.500 -0.091 0.000 0.903 546 K HN 0.482 nan 8.250 nan 0.000 0.485 547 N N 3.732 122.334 118.700 -0.162 0.000 2.711 547 N HA 0.058 4.798 4.740 0.000 0.000 0.263 547 N C -0.806 174.614 175.510 -0.150 0.000 1.667 547 N CA -0.145 52.804 53.050 -0.167 0.000 0.785 547 N CB 0.601 39.002 38.487 -0.143 0.000 1.231 547 N HN 0.614 nan 8.380 nan 0.000 0.503 548 D N 0.664 120.967 120.400 -0.162 0.000 2.170 548 D HA -0.217 4.423 4.640 0.000 0.000 0.193 548 D C 1.523 177.760 176.300 -0.106 0.000 1.004 548 D CA 1.456 55.381 54.000 -0.126 0.000 0.860 548 D CB 0.495 41.208 40.800 -0.145 0.000 0.931 548 D HN 0.500 nan 8.370 nan 0.000 0.448 549 E N 0.151 120.270 120.200 -0.136 0.000 2.048 549 E HA -0.205 4.145 4.350 0.000 0.000 0.202 549 E C 2.441 178.971 176.600 -0.116 0.000 1.021 549 E CA 0.883 57.205 56.400 -0.129 0.000 0.825 549 E CB -0.354 29.254 29.700 -0.154 0.000 0.756 549 E HN 0.430 nan 8.360 nan 0.000 0.454 550 I N 0.888 121.384 120.570 -0.124 0.000 2.202 550 I HA -0.248 3.922 4.170 0.000 0.000 0.242 550 I C 2.641 178.801 176.117 0.072 0.000 1.091 550 I CA 0.668 61.906 61.300 -0.104 0.000 1.368 550 I CB -0.306 37.636 38.000 -0.097 0.000 1.058 550 I HN 0.081 nan 8.210 nan 0.000 0.410 551 L N 0.240 121.499 121.223 0.059 0.000 2.013 551 L HA -0.343 3.997 4.340 0.000 0.000 0.212 551 L C 2.937 179.882 176.870 0.125 0.000 1.073 551 L CA 1.661 56.570 54.840 0.114 0.000 0.753 551 L CB -0.731 41.332 42.059 0.006 0.000 0.890 551 L HN 0.514 nan 8.230 nan 0.000 0.432 552 C N -0.078 119.252 119.300 0.050 0.000 2.453 552 C HA -0.143 4.317 4.460 0.000 0.000 0.277 552 C C 2.759 177.787 174.990 0.063 0.000 1.262 552 C CA 0.696 59.740 59.018 0.043 0.000 1.718 552 C CB -0.711 27.027 27.740 -0.003 0.000 2.031 552 C HN 0.515 nan 8.230 nan 0.000 0.480 553 L N 2.247 123.494 121.223 0.041 0.000 2.083 553 L HA 0.071 4.411 4.340 0.000 0.000 0.209 553 L C 2.664 179.638 176.870 0.173 0.000 1.083 553 L CA 2.504 57.376 54.840 0.053 0.000 0.752 553 L CB -1.073 40.952 42.059 -0.056 0.000 0.899 553 L HN 0.409 nan 8.230 nan 0.000 0.433 554 A N -0.807 122.170 122.820 0.262 0.000 1.902 554 A HA -0.229 4.091 4.320 0.000 0.000 0.217 554 A C 1.996 179.739 177.584 0.265 0.000 1.181 554 A CA 1.924 54.145 52.037 0.307 0.000 0.623 554 A CB -0.837 18.348 19.000 0.308 0.000 0.818 554 A HN 0.523 nan 8.150 nan 0.000 0.443 555 D N 0.273 120.806 120.400 0.222 0.000 2.117 555 D HA -0.116 4.524 4.640 0.000 0.000 0.197 555 D C 1.437 177.816 176.300 0.131 0.000 0.987 555 D CA 1.317 55.429 54.000 0.186 0.000 0.829 555 D CB -0.374 40.504 40.800 0.131 0.000 0.961 555 D HN 0.425 nan 8.370 nan 0.000 0.460 556 D N 0.034 120.497 120.400 0.105 0.000 2.097 556 D HA -0.109 4.531 4.640 0.000 0.000 0.195 556 D C 2.189 178.544 176.300 0.091 0.000 0.989 556 D CA 0.502 54.550 54.000 0.080 0.000 0.827 556 D CB -0.146 40.690 40.800 0.060 0.000 0.966 556 D HN 0.114 nan 8.370 nan 0.000 0.456 557 L N 1.149 122.430 121.223 0.097 0.000 2.083 557 L HA -0.075 4.265 4.340 0.000 0.000 0.209 557 L C 2.443 179.375 176.870 0.103 0.000 1.083 557 L CA 1.090 55.992 54.840 0.103 0.000 0.752 557 L CB -0.988 41.085 42.059 0.023 0.000 0.899 557 L HN -0.061 nan 8.230 nan 0.000 0.433 558 A N -1.805 121.074 122.820 0.099 0.000 2.015 558 A HA -0.160 4.160 4.320 0.000 0.000 0.219 558 A C 2.314 179.913 177.584 0.026 0.000 1.163 558 A CA 2.067 54.138 52.037 0.057 0.000 0.646 558 A CB -0.744 18.360 19.000 0.173 0.000 0.806 558 A HN 0.432 nan 8.150 nan 0.000 0.448 559 T N -0.995 113.590 114.554 0.052 0.000 2.978 559 T HA -0.005 4.345 4.350 0.000 0.000 0.262 559 T C 2.064 176.776 174.700 0.020 0.000 1.063 559 T CA 1.067 63.183 62.100 0.026 0.000 1.140 559 T CB -0.073 68.816 68.868 0.036 0.000 0.886 559 T HN 0.487 nan 8.240 nan 0.000 0.470 560 R N 0.171 120.705 120.500 0.056 0.000 2.075 560 R HA 0.196 4.536 4.340 0.000 0.000 0.226 560 R C 0.450 176.778 176.300 0.046 0.000 1.114 560 R CA 0.391 56.529 56.100 0.064 0.000 0.972 560 R CB -0.280 30.099 30.300 0.132 0.000 0.869 560 R HN 0.308 nan 8.270 nan 0.000 0.437 561 L N 1.183 122.451 121.223 0.075 0.000 2.456 561 L HA -0.009 4.331 4.340 0.000 0.000 0.272 561 L C 1.894 178.737 176.870 -0.046 0.000 1.189 561 L CA -0.147 54.737 54.840 0.073 0.000 0.846 561 L CB 1.139 43.297 42.059 0.163 0.000 1.111 561 L HN 0.312 nan 8.230 nan 0.000 0.475 562 T N -1.727 112.763 114.554 -0.108 0.000 2.821 562 T HA -0.032 4.318 4.350 0.000 0.000 0.267 562 T C 1.401 175.889 174.700 -0.354 0.000 1.046 562 T CA 0.680 62.640 62.100 -0.234 0.000 1.139 562 T CB -0.204 68.498 68.868 -0.275 0.000 0.871 562 T HN 1.003 nan 8.240 nan 0.000 0.454 563 G N 0.220 108.690 108.800 -0.551 0.000 2.176 563 G HA2 -0.171 3.789 3.960 0.000 0.000 0.253 563 G HA3 -0.171 3.789 3.960 0.000 0.000 0.253 563 G C 0.038 174.579 174.900 -0.599 0.000 0.979 563 G CA -0.044 44.731 45.100 -0.541 0.000 0.641 563 G HN 0.908 nan 8.290 nan 0.000 0.530 564 V N 0.720 120.056 119.914 -0.964 0.000 2.482 564 V HA 0.763 4.883 4.120 0.000 0.000 0.295 564 V C -0.404 175.237 176.094 -0.754 0.000 1.026 564 V CA -0.938 60.997 62.300 -0.608 0.000 0.856 564 V CB 1.018 32.697 31.823 -0.240 0.000 1.001 564 V HN 0.347 nan 8.190 nan 0.000 0.424 565 Y N 1.812 122.166 120.300 0.090 0.000 2.705 565 Y HA 0.808 5.358 4.550 0.000 0.000 0.332 565 Y C 0.830 176.859 175.900 0.215 0.000 1.157 565 Y CA -1.029 57.169 58.100 0.163 0.000 1.091 565 Y CB 1.286 39.822 38.460 0.125 0.000 1.301 565 Y HN 0.658 nan 8.280 nan 0.000 0.488 566 G N -0.268 108.766 108.800 0.390 0.000 2.476 566 G HA2 0.417 4.377 3.960 0.000 0.000 0.269 566 G HA3 0.417 4.377 3.960 0.000 0.000 0.269 566 G C 0.690 175.662 174.900 0.120 0.000 1.195 566 G CA -0.087 45.171 45.100 0.264 0.000 0.843 566 G HN 0.930 nan 8.290 nan 0.000 0.545 567 A N 0.977 123.800 122.820 0.006 0.000 1.948 567 A HA -0.113 4.207 4.320 0.000 0.000 0.220 567 A C 2.450 179.986 177.584 -0.080 0.000 1.177 567 A CA 2.510 54.514 52.037 -0.055 0.000 0.636 567 A CB -1.024 17.935 19.000 -0.068 0.000 0.815 567 A HN 1.171 nan 8.150 nan 0.000 0.449 568 T N -3.225 111.317 114.554 -0.020 0.000 3.320 568 T HA 0.018 4.368 4.350 0.000 0.000 0.258 568 T C 0.314 174.972 174.700 -0.070 0.000 1.176 568 T CA 1.187 63.269 62.100 -0.029 0.000 1.037 568 T CB -0.210 68.671 68.868 0.021 0.000 0.958 568 T HN 0.342 nan 8.240 nan 0.000 0.545 569 D N 1.013 121.348 120.400 -0.109 0.000 2.469 569 D HA 0.095 4.735 4.640 0.000 0.000 0.213 569 D C 1.101 177.217 176.300 -0.307 0.000 1.135 569 D CA -0.068 53.818 54.000 -0.191 0.000 0.834 569 D CB -0.174 40.559 40.800 -0.112 0.000 1.009 569 D HN 0.670 nan 8.370 nan 0.000 0.507 570 N N 1.205 119.626 118.700 -0.466 0.000 2.322 570 N HA -0.033 4.707 4.740 0.000 0.000 0.216 570 N C 0.418 175.645 175.510 -0.473 0.000 1.144 570 N CA -0.352 52.157 53.050 -0.903 0.000 0.830 570 N CB -0.135 37.560 38.487 -1.319 0.000 1.034 570 N HN -0.118 nan 8.380 nan 0.000 0.484 571 F N 0.265 120.198 119.950 -0.029 0.000 2.105 571 F HA -0.150 4.377 4.527 0.000 0.000 0.174 571 F C 0.612 176.370 175.800 -0.071 0.000 0.608 571 F CA -0.938 57.036 58.000 -0.043 0.000 0.816 571 F CB -0.632 38.342 39.000 -0.043 0.000 0.808 571 F HN -0.056 nan 8.300 nan 0.000 0.666 572 A N 1.498 124.399 122.820 0.133 0.000 2.462 572 A HA 0.503 4.823 4.320 0.000 0.000 0.243 572 A C 1.059 178.629 177.584 -0.024 0.000 1.076 572 A CA 0.109 52.132 52.037 -0.024 0.000 0.773 572 A CB -0.822 18.173 19.000 -0.009 0.000 1.010 572 A HN 2.570 nan 8.150 nan 0.000 0.493 573 A N 0.645 123.358 122.820 -0.178 0.000 2.872 573 A HA 0.018 4.338 4.320 0.000 0.000 0.273 573 A C 1.512 178.974 177.584 -0.204 0.000 1.442 573 A CA 1.425 53.358 52.037 -0.174 0.000 0.801 573 A CB -1.883 17.053 19.000 -0.106 0.000 1.031 573 A HN 2.478 nan 8.150 nan 0.000 0.582 574 A N -1.152 121.369 122.820 -0.497 0.000 2.014 574 A HA 0.214 4.534 4.320 0.000 0.000 0.218 574 A C 2.017 179.395 177.584 -0.344 0.000 1.163 574 A CA 1.864 53.431 52.037 -0.782 0.000 0.652 574 A CB -0.394 17.838 19.000 -1.278 0.000 0.808 574 A HN 1.287 nan 8.150 nan 0.000 0.449 575 V N -0.114 119.611 119.914 -0.316 0.000 2.515 575 V HA -0.216 3.904 4.120 0.000 0.000 0.250 575 V C 2.416 178.482 176.094 -0.046 0.000 1.058 575 V CA 1.814 63.993 62.300 -0.202 0.000 1.064 575 V CB -0.766 30.844 31.823 -0.356 0.000 0.675 575 V HN 0.536 nan 8.190 nan 0.000 0.461 576 L N 0.432 121.595 121.223 -0.099 0.000 2.109 576 L HA 0.001 4.341 4.340 0.000 0.000 0.207 576 L C 2.691 179.564 176.870 0.005 0.000 1.086 576 L CA 1.620 56.415 54.840 -0.075 0.000 0.760 576 L CB -0.985 40.916 42.059 -0.263 0.000 0.910 576 L HN 0.250 nan 8.230 nan 0.000 0.437 577 A N 0.009 122.855 122.820 0.042 0.000 1.883 577 A HA -0.279 4.041 4.320 0.000 0.000 0.217 577 A C 2.260 179.958 177.584 0.190 0.000 1.186 577 A CA 1.885 54.003 52.037 0.135 0.000 0.624 577 A CB -0.954 18.218 19.000 0.286 0.000 0.822 577 A HN 0.400 nan 8.150 nan 0.000 0.444 578 F N 1.155 121.118 119.950 0.022 0.000 2.102 578 F HA -0.083 4.444 4.527 0.000 0.000 0.298 578 F C 2.508 178.352 175.800 0.073 0.000 1.105 578 F CA 1.126 59.142 58.000 0.027 0.000 1.239 578 F CB -0.826 38.154 39.000 -0.034 0.000 0.991 578 F HN 0.244 nan 8.300 nan 0.000 0.474 579 A N 0.401 123.163 122.820 -0.097 0.000 1.933 579 A HA -0.025 4.295 4.320 0.000 0.000 0.218 579 A C 2.441 180.134 177.584 0.181 0.000 1.175 579 A CA 1.906 53.875 52.037 -0.114 0.000 0.628 579 A CB -1.555 17.392 19.000 -0.087 0.000 0.814 579 A HN 0.533 nan 8.150 nan 0.000 0.444 580 A N 0.171 123.182 122.820 0.318 0.000 1.898 580 A HA -0.160 4.160 4.320 0.000 0.000 0.216 580 A C 1.930 179.602 177.584 0.147 0.000 1.181 580 A CA 1.628 53.870 52.037 0.342 0.000 0.620 580 A CB -0.558 18.582 19.000 0.232 0.000 0.819 580 A HN 0.536 nan 8.150 nan 0.000 0.442 581 N N -0.232 118.522 118.700 0.090 0.000 2.120 581 N HA -0.126 4.614 4.740 0.000 0.000 0.188 581 N C 1.655 177.169 175.510 0.006 0.000 1.024 581 N CA 1.620 54.707 53.050 0.062 0.000 0.852 581 N CB -0.405 38.147 38.487 0.108 0.000 1.003 581 N HN 0.333 nan 8.380 nan 0.000 0.424 582 M N 0.694 120.243 119.600 -0.085 0.000 2.086 582 M HA -0.035 4.445 4.480 0.000 0.000 0.261 582 M C 2.301 178.560 176.300 -0.068 0.000 1.067 582 M CA 0.877 56.107 55.300 -0.117 0.000 1.116 582 M CB -1.265 31.169 32.600 -0.276 0.000 1.348 582 M HN 0.132 nan 8.290 nan 0.000 0.407 583 L N -0.251 120.942 121.223 -0.050 0.000 2.056 583 L HA -0.205 4.135 4.340 0.000 0.000 0.207 583 L C 2.251 179.081 176.870 -0.065 0.000 1.078 583 L CA 1.428 56.200 54.840 -0.114 0.000 0.749 583 L CB -0.435 41.512 42.059 -0.188 0.000 0.901 583 L HN 0.304 nan 8.230 nan 0.000 0.433 584 T N -1.146 113.403 114.554 -0.009 0.000 2.720 584 T HA -0.221 4.129 4.350 0.000 0.000 0.268 584 T C 2.055 176.749 174.700 -0.010 0.000 1.037 584 T CA 1.729 63.830 62.100 0.002 0.000 1.144 584 T CB -0.192 68.694 68.868 0.030 0.000 0.864 584 T HN 0.301 nan 8.240 nan 0.000 0.444 585 S N 0.088 115.782 115.700 -0.010 0.000 2.383 585 S HA -0.110 4.360 4.470 0.000 0.000 0.229 585 S C 2.126 176.714 174.600 -0.021 0.000 1.030 585 S CA 0.926 59.120 58.200 -0.009 0.000 1.002 585 S CB -0.402 62.796 63.200 -0.003 0.000 0.829 585 S HN 0.310 nan 8.310 nan 0.000 0.467 586 V N 1.950 121.839 119.914 -0.041 0.000 2.307 586 V HA -0.119 4.001 4.120 0.000 0.000 0.245 586 V C 2.232 178.299 176.094 -0.045 0.000 1.045 586 V CA 1.571 63.841 62.300 -0.050 0.000 1.024 586 V CB -0.656 31.119 31.823 -0.081 0.000 0.651 586 V HN 0.460 nan 8.190 nan 0.000 0.449 587 L N -0.519 120.675 121.223 -0.048 0.000 2.079 587 L HA -0.215 4.125 4.340 0.000 0.000 0.210 587 L C 2.628 179.484 176.870 -0.022 0.000 1.081 587 L CA 1.604 56.421 54.840 -0.038 0.000 0.752 587 L CB -0.721 41.317 42.059 -0.035 0.000 0.896 587 L HN 0.300 nan 8.230 nan 0.000 0.433 588 K N -0.157 120.234 120.400 -0.016 0.000 2.032 588 K HA -0.147 4.173 4.320 0.000 0.000 0.209 588 K C 2.347 178.942 176.600 -0.008 0.000 1.048 588 K CA 1.714 57.996 56.287 -0.008 0.000 0.927 588 K CB -0.114 32.384 32.500 -0.003 0.000 0.712 588 K HN 0.210 nan 8.250 nan 0.000 0.441 589 S N 1.232 116.925 115.700 -0.012 0.000 2.359 589 S HA -0.193 4.277 4.470 0.000 0.000 0.222 589 S C 1.725 176.318 174.600 -0.011 0.000 1.038 589 S CA 1.387 59.581 58.200 -0.011 0.000 1.051 589 S CB -0.299 62.892 63.200 -0.015 0.000 0.944 589 S HN 0.340 nan 8.310 nan 0.000 0.433 590 E N 1.225 121.415 120.200 -0.016 0.000 2.055 590 E HA -0.275 4.075 4.350 0.000 0.000 0.209 590 E C 2.444 179.039 176.600 -0.008 0.000 1.036 590 E CA 1.337 57.728 56.400 -0.015 0.000 0.849 590 E CB -0.461 29.227 29.700 -0.020 0.000 0.767 590 E HN 0.508 nan 8.360 nan 0.000 0.461 591 A N 0.910 123.726 122.820 -0.007 0.000 1.903 591 A HA -0.272 4.048 4.320 0.000 0.000 0.219 591 A C 2.447 180.031 177.584 -0.001 0.000 1.191 591 A CA 2.525 54.561 52.037 -0.003 0.000 0.638 591 A CB -1.150 17.849 19.000 -0.003 0.000 0.823 591 A HN 0.271 nan 8.150 nan 0.000 0.451 592 T N -0.439 114.114 114.554 -0.002 0.000 2.643 592 T HA -0.129 4.221 4.350 0.000 0.000 0.264 592 T C 2.066 176.766 174.700 0.001 0.000 1.045 592 T CA 2.029 64.129 62.100 0.000 0.000 1.155 592 T CB -0.692 68.176 68.868 -0.000 0.000 0.863 592 T HN 0.595 nan 8.240 nan 0.000 0.420 593 T N 1.631 116.185 114.554 -0.001 0.000 2.699 593 T HA -0.168 4.182 4.350 0.000 0.000 0.268 593 T C 2.263 176.964 174.700 0.002 0.000 1.036 593 T CA 1.598 63.699 62.100 0.000 0.000 1.147 593 T CB -0.595 68.273 68.868 -0.001 0.000 0.862 593 T HN 0.374 nan 8.240 nan 0.000 0.446 594 S N 0.427 116.129 115.700 0.002 0.000 2.378 594 S HA -0.154 4.316 4.470 0.000 0.000 0.221 594 S C 2.186 176.789 174.600 0.005 0.000 1.037 594 S CA 1.789 59.991 58.200 0.004 0.000 1.069 594 S CB -0.705 62.497 63.200 0.003 0.000 1.006 594 S HN 0.300 nan 8.310 nan 0.000 0.423 595 V N 2.077 121.994 119.914 0.004 0.000 2.392 595 V HA -0.176 3.944 4.120 0.000 0.000 0.249 595 V C 2.276 178.373 176.094 0.004 0.000 1.059 595 V CA 1.984 64.287 62.300 0.004 0.000 1.051 595 V CB -0.708 31.117 31.823 0.004 0.000 0.658 595 V HN 0.526 nan 8.190 nan 0.000 0.455 596 I N -0.512 120.060 120.570 0.004 0.000 2.315 596 I HA -0.186 3.984 4.170 0.000 0.000 0.248 596 I C 2.079 178.199 176.117 0.005 0.000 1.117 596 I CA 1.405 62.708 61.300 0.004 0.000 1.404 596 I CB -0.288 37.714 38.000 0.004 0.000 1.071 596 I HN 0.252 nan 8.210 nan 0.000 0.419 597 K N 0.334 120.738 120.400 0.005 0.000 2.522 597 K HA -0.004 4.316 4.320 0.000 0.000 0.194 597 K C 1.117 177.721 176.600 0.007 0.000 1.026 597 K CA 0.219 56.510 56.287 0.006 0.000 1.119 597 K CB 0.304 32.809 32.500 0.007 0.000 0.856 597 K HN 0.246 nan 8.250 nan 0.000 0.513 598 E N 0.555 120.758 120.200 0.006 0.000 2.205 598 E HA 0.165 4.515 4.350 0.000 0.000 0.219 598 E C 1.029 177.632 176.600 0.006 0.000 0.948 598 E CA 0.184 56.588 56.400 0.006 0.000 0.993 598 E CB -0.229 29.475 29.700 0.006 0.000 1.441 598 E HN 0.046 nan 8.360 nan 0.000 0.511 599 L N 0.000 121.226 121.223 0.005 0.000 2.949 599 L HA 0.000 4.340 4.340 0.000 0.000 0.249 599 L CA 0.000 54.843 54.840 0.005 0.000 0.813 599 L CB 0.000 42.062 42.059 0.004 0.000 0.961 599 L HN 0.000 nan 8.230 nan 0.000 0.502