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 1r9n_1_D DATA FIRST_RESID 40 DATA SEQUENCE RKTYTLTDYL KNTYRLKLYS LRWISDHEYL YKQENNILVF NAEYGNSSVF DATA SEQUENCE LENSTFDEFG HSINDYSISP DGQFILLEYN YVKQWRHSYT ASYDIYDLNK DATA SEQUENCE RQLITEERIP NNTQWVTWSP VGHKLAYVWN NDIYVKIEPN LPSYRITWTG DATA SEQUENCE KEDIIYNGIT DWVYEEEVFS AYSALWWSPN GTFLAYAQFN DTEVPLIEYS DATA SEQUENCE FYSDESLQYP KTVRVPYPKA GAVNPTVKFF VVNTDSLSSV TNATSIQITA DATA SEQUENCE PASMLIGDHY LCDVTWATQE RISLQWLRRI QNYSVMDIcD YDESSGRWNc DATA SEQUENCE LVARQHIEMS TTGWVGRFRP SEPHFTLDGN SFYKIISNEE GYRHIcYFQI DATA SEQUENCE DKKDcTFITK GTWEVIGIEA LTSDYLYYIS NEYKGMPGGR NLYKIQLSDY DATA SEQUENCE TKVTCLSCEL NPERcQYYSV SFSKEAKYYQ LRcSGPGLPL YTLHSSVNDK DATA SEQUENCE GLRVLEDNSA LDKMLQNVQM PSKKLDFIIL NETKFWYQMI LPPHFDKSKK DATA SEQUENCE YPLLLDVYAG PCSQKADTVF RLNWATYLAS TENIIVASFD GRGSGYQGDK DATA SEQUENCE IMHAINRRLG TFEVEDQIEA ARQFSKMGFV DNKRIAIWGW SYGGYVTSMV DATA SEQUENCE LGSGSGVFKc GIAVAPVSRW EYYDSVYTER YMGLPTPEDN LDHYRNSTVM DATA SEQUENCE SRAENFKQVE YLLIHGTADD NVHFQQSAQI SKALVDVGVD FQAMWYTDED DATA SEQUENCE HGIASSTAHQ HIYTHMSHFI KQcFSLP 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 40 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.355 176.300 0.092 0.000 0.893 40 R CA 0.000 56.148 56.100 0.079 0.000 0.921 40 R CB 0.000 30.336 30.300 0.060 0.000 0.687 41 K N 2.605 123.063 120.400 0.098 0.000 2.205 41 K HA 0.323 4.643 4.320 0.000 0.000 0.279 41 K C -0.348 176.329 176.600 0.128 0.000 1.027 41 K CA 0.326 56.682 56.287 0.114 0.000 0.932 41 K CB 1.145 33.719 32.500 0.124 0.000 1.032 41 K HN 0.304 nan 8.250 nan 0.000 0.466 42 T N -0.244 114.400 114.554 0.150 0.000 2.910 42 T HA 0.225 4.575 4.350 0.000 0.000 0.287 42 T C -0.927 173.926 174.700 0.254 0.000 1.050 42 T CA -0.708 61.498 62.100 0.177 0.000 1.011 42 T CB 0.525 69.492 68.868 0.165 0.000 1.195 42 T HN 0.472 nan 8.240 nan 0.000 0.540 43 Y N 2.595 122.986 120.300 0.152 0.000 2.539 43 Y HA 0.398 4.948 4.550 0.000 0.000 0.352 43 Y C 0.973 177.045 175.900 0.287 0.000 1.004 43 Y CA -0.219 58.019 58.100 0.231 0.000 1.278 43 Y CB -0.083 38.476 38.460 0.164 0.000 1.136 43 Y HN 1.001 nan 8.280 nan 0.000 0.528 44 T N 2.257 116.838 114.554 0.045 0.000 2.881 44 T HA 0.137 4.487 4.350 0.000 0.000 0.278 44 T C 0.962 175.581 174.700 -0.134 0.000 0.982 44 T CA -0.765 61.387 62.100 0.087 0.000 0.989 44 T CB 1.251 70.133 68.868 0.023 0.000 1.058 44 T HN 0.675 nan 8.240 nan 0.000 0.529 45 L N 1.040 122.009 121.223 -0.423 0.000 2.083 45 L HA 0.016 4.356 4.340 0.000 0.000 0.209 45 L C 2.581 179.307 176.870 -0.239 0.000 1.083 45 L CA 2.134 56.608 54.840 -0.611 0.000 0.752 45 L CB -1.492 40.059 42.059 -0.848 0.000 0.899 45 L HN 0.953 nan 8.230 nan 0.000 0.433 46 T N -0.475 113.961 114.554 -0.197 0.000 2.788 46 T HA -0.157 4.193 4.350 0.000 0.000 0.268 46 T C 1.470 176.061 174.700 -0.181 0.000 1.044 46 T CA 1.433 63.442 62.100 -0.152 0.000 1.139 46 T CB -0.387 68.413 68.868 -0.114 0.000 0.867 46 T HN 0.419 nan 8.240 nan 0.000 0.454 47 D N 0.247 120.499 120.400 -0.248 0.000 2.097 47 D HA -0.098 4.542 4.640 0.000 0.000 0.195 47 D C 1.767 177.904 176.300 -0.271 0.000 0.989 47 D CA 1.068 54.853 54.000 -0.358 0.000 0.827 47 D CB -0.451 40.017 40.800 -0.553 0.000 0.966 47 D HN 0.417 nan 8.370 nan 0.000 0.456 48 Y N 1.547 121.637 120.300 -0.350 0.000 2.145 48 Y HA -0.131 4.419 4.550 0.000 0.000 0.286 48 Y C 2.163 178.061 175.900 -0.003 0.000 1.145 48 Y CA 1.271 59.360 58.100 -0.019 0.000 1.148 48 Y CB -0.558 37.972 38.460 0.117 0.000 0.981 48 Y HN -0.090 nan 8.280 nan 0.000 0.507 49 L N -0.068 120.982 121.223 -0.290 0.000 2.291 49 L HA -0.107 4.233 4.340 0.000 0.000 0.214 49 L C 1.583 178.335 176.870 -0.197 0.000 1.120 49 L CA 1.039 55.679 54.840 -0.333 0.000 0.799 49 L CB -0.310 41.622 42.059 -0.211 0.000 0.925 49 L HN 0.056 nan 8.230 nan 0.000 0.446 50 K N -0.463 119.840 120.400 -0.161 0.000 2.373 50 K HA 0.162 4.482 4.320 0.000 0.000 0.202 50 K C -0.035 176.501 176.600 -0.107 0.000 1.025 50 K CA -0.195 56.020 56.287 -0.119 0.000 1.115 50 K CB 0.123 32.554 32.500 -0.114 0.000 0.858 50 K HN 0.178 nan 8.250 nan 0.000 0.525 51 N N 1.950 120.594 118.700 -0.094 0.000 2.699 51 N HA -0.170 4.570 4.740 0.000 0.000 0.256 51 N C 0.215 175.680 175.510 -0.074 0.000 0.993 51 N CA 0.793 53.823 53.050 -0.033 0.000 0.759 51 N CB -0.624 37.855 38.487 -0.014 0.000 0.906 51 N HN 0.199 nan 8.380 nan 0.000 0.541 52 T N -0.870 113.570 114.554 -0.190 0.000 2.746 52 T HA -0.159 4.191 4.350 0.000 0.000 0.267 52 T C 0.449 174.916 174.700 -0.389 0.000 1.039 52 T CA 1.327 63.193 62.100 -0.391 0.000 1.142 52 T CB -0.075 68.379 68.868 -0.690 0.000 0.866 52 T HN 0.333 nan 8.240 nan 0.000 0.444 53 Y N 1.608 121.988 120.300 0.132 0.000 2.721 53 Y HA 0.496 5.046 4.550 0.000 0.000 0.328 53 Y C 0.390 176.400 175.900 0.182 0.000 1.003 53 Y CA -1.328 56.880 58.100 0.181 0.000 1.275 53 Y CB 0.247 38.877 38.460 0.284 0.000 1.097 53 Y HN -0.100 nan 8.280 nan 0.000 0.514 54 R N 2.353 122.995 120.500 0.236 0.000 2.297 54 R HA 0.443 4.783 4.340 0.000 0.000 0.308 54 R C -1.080 175.328 176.300 0.180 0.000 1.029 54 R CA -0.938 55.265 56.100 0.172 0.000 0.929 54 R CB 0.664 31.023 30.300 0.099 0.000 1.046 54 R HN 0.506 nan 8.270 nan 0.000 0.461 55 L N 4.858 126.188 121.223 0.179 0.000 2.385 55 L HA 0.182 4.522 4.340 0.000 0.000 0.281 55 L C 0.148 177.098 176.870 0.132 0.000 1.106 55 L CA 0.654 55.599 54.840 0.174 0.000 0.856 55 L CB 0.674 42.852 42.059 0.197 0.000 1.186 55 L HN 0.443 nan 8.230 nan 0.000 0.453 56 K N 4.395 124.867 120.400 0.121 0.000 2.270 56 K HA 0.535 4.855 4.320 0.000 0.000 0.276 56 K C -0.299 176.348 176.600 0.078 0.000 1.023 56 K CA -0.282 56.057 56.287 0.086 0.000 0.955 56 K CB 0.764 33.316 32.500 0.085 0.000 0.975 56 K HN 0.472 nan 8.250 nan 0.000 0.471 57 L N -0.509 120.695 121.223 -0.032 0.000 2.216 57 L HA 0.619 4.959 4.340 0.000 0.000 0.260 57 L C -0.842 175.753 176.870 -0.459 0.000 1.036 57 L CA -1.109 53.550 54.840 -0.302 0.000 0.914 57 L CB 0.627 42.628 42.059 -0.096 0.000 1.501 57 L HN 0.496 nan 8.230 nan 0.000 0.485 58 Y N 0.283 119.996 120.300 -0.978 0.000 2.520 58 Y HA 0.389 4.939 4.550 0.000 0.000 0.339 58 Y C -0.394 175.319 175.900 -0.311 0.000 1.113 58 Y CA -0.313 57.467 58.100 -0.534 0.000 1.255 58 Y CB 1.354 39.375 38.460 -0.730 0.000 1.099 58 Y HN 0.645 nan 8.280 nan 0.000 0.628 59 S N 4.747 120.381 115.700 -0.110 0.000 2.465 59 S HA 0.672 5.142 4.470 0.000 0.000 0.279 59 S C -0.841 173.718 174.600 -0.068 0.000 1.201 59 S CA -0.483 57.688 58.200 -0.048 0.000 1.053 59 S CB -0.240 62.948 63.200 -0.021 0.000 0.953 59 S HN 0.535 nan 8.310 nan 0.000 0.488 60 L N 3.367 124.517 121.223 -0.121 0.000 2.341 60 L HA 0.761 5.101 4.340 0.000 0.000 0.267 60 L C -0.430 176.355 176.870 -0.141 0.000 1.009 60 L CA -0.894 53.819 54.840 -0.211 0.000 0.819 60 L CB 1.308 42.944 42.059 -0.706 0.000 1.323 60 L HN 0.430 nan 8.230 nan 0.000 0.425 61 R N 1.378 121.855 120.500 -0.039 0.000 2.246 61 R HA 0.342 4.682 4.340 0.000 0.000 0.332 61 R C -1.527 174.827 176.300 0.090 0.000 0.974 61 R CA -0.149 55.990 56.100 0.064 0.000 0.837 61 R CB 0.885 31.265 30.300 0.134 0.000 1.145 61 R HN 0.674 nan 8.270 nan 0.000 0.467 62 W N 5.260 126.679 121.300 0.199 0.000 2.666 62 W HA 0.086 4.746 4.660 0.000 0.000 0.365 62 W C 1.487 178.113 176.519 0.177 0.000 1.224 62 W CA -0.543 56.926 57.345 0.208 0.000 1.515 62 W CB 0.139 29.708 29.460 0.182 0.000 1.562 62 W HN 0.702 nan 8.180 nan 0.000 0.455 63 I N 0.621 121.417 120.570 0.377 0.000 2.406 63 I HA -0.038 4.133 4.170 0.000 0.000 0.249 63 I C 1.201 177.464 176.117 0.244 0.000 1.122 63 I CA 0.797 62.248 61.300 0.252 0.000 1.431 63 I CB -0.289 37.804 38.000 0.156 0.000 1.087 63 I HN 0.151 nan 8.210 nan 0.000 0.424 64 S N -0.546 115.341 115.700 0.312 0.000 2.806 64 S HA 0.337 4.808 4.470 0.000 0.000 0.306 64 S C 0.150 174.900 174.600 0.250 0.000 1.167 64 S CA -0.257 58.105 58.200 0.270 0.000 0.847 64 S CB 1.288 64.657 63.200 0.283 0.000 1.216 64 S HN 0.195 nan 8.310 nan 0.000 0.532 65 D N -0.857 119.567 120.400 0.040 0.000 2.363 65 D HA 0.099 4.739 4.640 0.000 0.000 0.226 65 D C 0.873 176.944 176.300 -0.382 0.000 1.020 65 D CA 0.906 54.726 54.000 -0.299 0.000 0.892 65 D CB -0.027 40.485 40.800 -0.480 0.000 0.900 65 D HN 0.623 nan 8.370 nan 0.000 0.531 66 H N -1.824 117.421 119.070 0.291 0.000 3.771 66 H HA 0.347 4.903 4.556 0.000 0.000 0.260 66 H C -0.103 175.338 175.328 0.189 0.000 1.158 66 H CA -0.103 56.102 56.048 0.262 0.000 1.170 66 H CB 0.926 30.822 29.762 0.224 0.000 1.539 66 H HN 0.096 nan 8.280 nan 0.000 0.634 67 E N 0.740 121.192 120.200 0.421 0.000 2.383 67 E HA 0.406 4.756 4.350 0.000 0.000 0.275 67 E C -1.375 175.422 176.600 0.328 0.000 0.918 67 E CA -0.914 55.631 56.400 0.242 0.000 0.764 67 E CB 2.930 32.684 29.700 0.090 0.000 1.252 67 E HN 0.150 nan 8.360 nan 0.000 0.449 68 Y N -0.578 119.710 120.300 -0.020 0.000 2.805 68 Y HA 0.767 5.317 4.550 0.000 0.000 0.323 68 Y C -1.461 174.423 175.900 -0.028 0.000 1.279 68 Y CA -1.311 56.655 58.100 -0.224 0.000 1.103 68 Y CB 0.949 38.803 38.460 -1.011 0.000 1.324 68 Y HN 0.360 nan 8.280 nan 0.000 0.498 69 L N 0.886 122.276 121.223 0.278 0.000 2.323 69 L HA 0.633 4.973 4.340 0.000 0.000 0.265 69 L C -1.534 175.577 176.870 0.400 0.000 1.012 69 L CA -1.088 53.936 54.840 0.307 0.000 0.820 69 L CB 2.468 44.708 42.059 0.300 0.000 1.334 69 L HN 0.852 nan 8.230 nan 0.000 0.427 70 Y N 1.094 121.501 120.300 0.178 0.000 2.687 70 Y HA 0.328 4.878 4.550 0.000 0.000 0.338 70 Y C -1.759 174.188 175.900 0.078 0.000 1.189 70 Y CA -1.515 56.600 58.100 0.026 0.000 1.097 70 Y CB 1.341 39.713 38.460 -0.147 0.000 1.342 70 Y HN 0.509 nan 8.280 nan 0.000 0.461 71 K N 2.809 122.817 120.400 -0.654 0.000 2.345 71 K HA 0.509 4.829 4.320 0.000 0.000 0.255 71 K C -0.221 176.097 176.600 -0.469 0.000 0.934 71 K CA -0.819 55.232 56.287 -0.392 0.000 0.801 71 K CB 2.513 34.846 32.500 -0.277 0.000 1.137 71 K HN 0.724 nan 8.250 nan 0.000 0.424 72 Q N 1.409 121.144 119.800 -0.108 0.000 1.714 72 Q HA -0.019 4.321 4.340 0.000 0.000 0.383 72 Q C 0.922 176.893 176.000 -0.049 0.000 0.936 72 Q CA 0.831 56.637 55.803 0.006 0.000 0.888 72 Q CB 0.022 28.826 28.738 0.109 0.000 0.973 72 Q HN 0.738 nan 8.270 nan 0.000 0.420 73 E N 0.043 120.227 120.200 -0.027 0.000 2.028 73 E HA -0.098 4.252 4.350 0.000 0.000 0.191 73 E C 1.199 177.761 176.600 -0.064 0.000 0.988 73 E CA 1.456 57.834 56.400 -0.037 0.000 0.799 73 E CB 0.255 29.939 29.700 -0.026 0.000 0.755 73 E HN 0.317 nan 8.360 nan 0.000 0.447 74 N N -1.570 117.085 118.700 -0.075 0.000 2.070 74 N HA -0.002 4.738 4.740 0.000 0.000 0.284 74 N C -0.899 174.551 175.510 -0.100 0.000 1.046 74 N CA 0.017 53.013 53.050 -0.089 0.000 0.730 74 N CB -0.042 38.401 38.487 -0.073 0.000 1.826 74 N HN -0.011 nan 8.380 nan 0.000 0.704 75 N N 2.304 120.947 118.700 -0.095 0.000 2.395 75 N HA 0.041 4.781 4.740 0.000 0.000 0.246 75 N C 0.162 175.613 175.510 -0.098 0.000 1.246 75 N CA 0.141 53.125 53.050 -0.110 0.000 0.879 75 N CB 1.074 39.498 38.487 -0.104 0.000 1.098 75 N HN 0.256 nan 8.380 nan 0.000 0.444 76 I N 1.878 122.376 120.570 -0.118 0.000 2.371 76 I HA 0.283 4.453 4.170 0.000 0.000 0.290 76 I C -1.407 174.712 176.117 0.004 0.000 1.028 76 I CA -0.413 60.847 61.300 -0.067 0.000 1.345 76 I CB 0.245 38.156 38.000 -0.148 0.000 1.407 76 I HN 0.295 nan 8.210 nan 0.000 0.501 77 L N 7.848 129.119 121.223 0.080 0.000 2.346 77 L HA 0.439 4.779 4.340 0.000 0.000 0.276 77 L C -0.237 176.672 176.870 0.066 0.000 1.006 77 L CA -0.622 54.237 54.840 0.032 0.000 0.817 77 L CB 1.596 43.626 42.059 -0.047 0.000 1.272 77 L HN 0.420 nan 8.230 nan 0.000 0.421 78 V N 3.976 123.854 119.914 -0.061 0.000 2.406 78 V HA 0.444 4.564 4.120 0.000 0.000 0.272 78 V C -0.776 175.144 176.094 -0.290 0.000 1.043 78 V CA -0.150 62.079 62.300 -0.118 0.000 0.915 78 V CB 0.670 32.367 31.823 -0.210 0.000 0.988 78 V HN 0.491 nan 8.190 nan 0.000 0.466 79 F N 5.692 125.380 119.950 -0.437 0.000 2.415 79 F HA 0.425 4.952 4.527 0.000 0.000 0.348 79 F C 0.717 176.247 175.800 -0.449 0.000 1.119 79 F CA -0.408 57.264 58.000 -0.546 0.000 1.069 79 F CB 1.134 39.487 39.000 -1.078 0.000 1.124 79 F HN 0.453 nan 8.300 nan 0.000 0.472 80 N N 2.532 121.166 118.700 -0.110 0.000 2.420 80 N HA 0.131 4.871 4.740 0.000 0.000 0.262 80 N C 0.679 176.196 175.510 0.012 0.000 1.144 80 N CA 0.186 53.220 53.050 -0.027 0.000 0.952 80 N CB 1.516 40.008 38.487 0.008 0.000 1.081 80 N HN 0.832 nan 8.380 nan 0.000 0.480 81 A N 3.857 126.649 122.820 -0.046 0.000 1.930 81 A HA -0.153 4.167 4.320 0.000 0.000 0.217 81 A C 1.939 179.471 177.584 -0.086 0.000 1.175 81 A CA 1.290 53.221 52.037 -0.178 0.000 0.627 81 A CB -0.281 18.276 19.000 -0.740 0.000 0.815 81 A HN 0.748 nan 8.150 nan 0.000 0.443 82 E N -1.186 119.070 120.200 0.093 0.000 2.028 82 E HA -0.131 4.219 4.350 0.000 0.000 0.191 82 E C 1.637 178.346 176.600 0.182 0.000 0.988 82 E CA 1.569 58.141 56.400 0.286 0.000 0.799 82 E CB -0.374 29.558 29.700 0.386 0.000 0.755 82 E HN 0.704 nan 8.360 nan 0.000 0.447 83 Y N -1.458 118.881 120.300 0.065 0.000 2.397 83 Y HA 0.168 4.718 4.550 0.000 0.000 0.292 83 Y C 1.590 177.513 175.900 0.038 0.000 1.115 83 Y CA 0.863 58.988 58.100 0.041 0.000 1.208 83 Y CB 0.803 39.275 38.460 0.019 0.000 1.046 83 Y HN 0.273 nan 8.280 nan 0.000 0.552 84 G N 0.702 109.616 108.800 0.189 0.000 2.157 84 G HA2 -0.295 3.665 3.960 0.000 0.000 0.248 84 G HA3 -0.295 3.665 3.960 0.000 0.000 0.248 84 G C -0.243 174.753 174.900 0.161 0.000 0.979 84 G CA 0.205 45.415 45.100 0.183 0.000 0.650 84 G HN 0.445 nan 8.290 nan 0.000 0.529 85 N N 0.314 119.063 118.700 0.082 0.000 2.515 85 N HA 0.580 5.320 4.740 0.000 0.000 0.279 85 N C -0.242 175.113 175.510 -0.258 0.000 1.164 85 N CA 0.217 53.237 53.050 -0.050 0.000 0.982 85 N CB 1.489 39.963 38.487 -0.021 0.000 1.170 85 N HN 0.130 nan 8.380 nan 0.000 0.474 86 S N -0.110 115.363 115.700 -0.377 0.000 2.578 86 S HA 0.630 5.100 4.470 0.000 0.000 0.301 86 S C -0.588 173.823 174.600 -0.315 0.000 1.091 86 S CA -0.873 56.986 58.200 -0.569 0.000 1.032 86 S CB 1.152 63.872 63.200 -0.801 0.000 1.064 86 S HN 0.775 nan 8.310 nan 0.000 0.508 87 S N 0.153 115.687 115.700 -0.277 0.000 2.736 87 S HA 0.421 4.891 4.470 0.000 0.000 0.285 87 S C -0.633 173.903 174.600 -0.106 0.000 1.163 87 S CA -0.872 57.231 58.200 -0.161 0.000 1.025 87 S CB 0.450 63.573 63.200 -0.128 0.000 1.030 87 S HN 0.441 nan 8.310 nan 0.000 0.486 88 V N 4.679 124.545 119.914 -0.080 0.000 2.475 88 V HA 0.036 4.157 4.120 0.000 0.000 0.292 88 V C 0.830 176.950 176.094 0.042 0.000 1.003 88 V CA 0.495 62.769 62.300 -0.043 0.000 1.120 88 V CB -0.886 30.895 31.823 -0.070 0.000 0.937 88 V HN 0.995 nan 8.190 nan 0.000 0.476 89 F N 4.857 124.730 119.950 -0.128 0.000 2.343 89 F HA 0.313 4.840 4.527 0.000 0.000 0.286 89 F C 0.746 176.461 175.800 -0.143 0.000 1.057 89 F CA 0.325 58.254 58.000 -0.117 0.000 1.365 89 F CB 0.566 39.510 39.000 -0.093 0.000 1.114 89 F HN 0.270 nan 8.300 nan 0.000 0.545 90 L N 1.070 122.125 121.223 -0.281 0.000 2.301 90 L HA 0.463 4.803 4.340 0.000 0.000 0.264 90 L C -0.975 175.719 176.870 -0.292 0.000 1.016 90 L CA -0.599 53.996 54.840 -0.409 0.000 0.821 90 L CB 1.736 43.512 42.059 -0.472 0.000 1.346 90 L HN 0.060 nan 8.230 nan 0.000 0.429 91 E N -0.083 119.910 120.200 -0.344 0.000 2.312 91 E HA 0.238 4.588 4.350 0.000 0.000 0.267 91 E C 0.164 176.590 176.600 -0.290 0.000 0.894 91 E CA -0.540 55.697 56.400 -0.273 0.000 0.773 91 E CB 1.644 31.195 29.700 -0.249 0.000 1.241 91 E HN 0.568 nan 8.360 nan 0.000 0.432 92 N N 0.411 118.993 118.700 -0.196 0.000 2.244 92 N HA -0.181 4.559 4.740 0.000 0.000 0.183 92 N C 1.332 176.747 175.510 -0.158 0.000 1.016 92 N CA 1.495 54.457 53.050 -0.146 0.000 0.866 92 N CB -0.350 38.078 38.487 -0.098 0.000 0.980 92 N HN 0.333 nan 8.380 nan 0.000 0.430 93 S N -1.484 114.107 115.700 -0.182 0.000 2.607 93 S HA 0.037 4.507 4.470 0.000 0.000 0.224 93 S C 1.337 175.780 174.600 -0.262 0.000 0.969 93 S CA 0.378 58.476 58.200 -0.169 0.000 0.927 93 S CB -0.850 62.271 63.200 -0.132 0.000 0.772 93 S HN 0.296 nan 8.310 nan 0.000 0.533 94 T N 1.471 115.748 114.554 -0.463 0.000 2.833 94 T HA 0.059 4.409 4.350 0.000 0.000 0.269 94 T C 0.061 174.268 174.700 -0.822 0.000 1.054 94 T CA 0.990 62.621 62.100 -0.782 0.000 1.135 94 T CB -0.419 67.670 68.868 -1.299 0.000 0.869 94 T HN 0.579 nan 8.240 nan 0.000 0.466 95 F N 1.769 121.603 119.950 -0.193 0.000 2.893 95 F HA 0.311 4.838 4.527 0.000 0.000 0.340 95 F C 0.784 176.564 175.800 -0.035 0.000 1.300 95 F CA -1.969 55.953 58.000 -0.129 0.000 1.227 95 F CB -0.108 38.689 39.000 -0.338 0.000 1.044 95 F HN 0.072 nan 8.300 nan 0.000 0.512 96 D N -0.691 119.747 120.400 0.063 0.000 2.234 96 D HA -0.145 4.495 4.640 0.000 0.000 0.205 96 D C 1.147 177.494 176.300 0.079 0.000 0.962 96 D CA 1.150 55.180 54.000 0.049 0.000 0.855 96 D CB -0.198 40.598 40.800 -0.008 0.000 0.951 96 D HN 0.417 nan 8.370 nan 0.000 0.500 97 E N -1.412 118.851 120.200 0.105 0.000 2.465 97 E HA 0.094 4.444 4.350 0.000 0.000 0.191 97 E C 0.667 177.346 176.600 0.133 0.000 1.053 97 E CA -0.407 56.045 56.400 0.087 0.000 0.869 97 E CB -0.163 29.575 29.700 0.062 0.000 0.977 97 E HN 0.179 nan 8.360 nan 0.000 0.483 98 F N 0.776 120.751 119.950 0.041 0.000 2.126 98 F HA -0.138 4.389 4.527 0.000 0.000 0.299 98 F C 1.907 177.679 175.800 -0.046 0.000 1.096 98 F CA 2.095 60.109 58.000 0.023 0.000 1.255 98 F CB -0.007 38.996 39.000 0.005 0.000 0.997 98 F HN 0.185 nan 8.300 nan 0.000 0.479 99 G N -1.819 106.984 108.800 0.006 0.000 2.284 99 G HA2 -0.234 3.726 3.960 0.000 0.000 0.230 99 G HA3 -0.234 3.726 3.960 0.000 0.000 0.230 99 G C 0.393 175.103 174.900 -0.317 0.000 1.021 99 G CA 0.233 45.181 45.100 -0.253 0.000 0.619 99 G HN 0.510 nan 8.290 nan 0.000 0.510 100 H N 0.355 119.468 119.070 0.073 0.000 2.567 100 H HA 0.669 5.225 4.556 0.000 0.000 0.345 100 H C -0.327 175.068 175.328 0.113 0.000 1.169 100 H CA 0.094 56.195 56.048 0.088 0.000 1.227 100 H CB 1.692 31.435 29.762 -0.031 0.000 1.607 100 H HN 0.168 nan 8.280 nan 0.000 0.534 101 S N 1.002 116.830 115.700 0.214 0.000 2.537 101 S HA 0.307 4.777 4.470 0.000 0.000 0.275 101 S C 0.038 174.707 174.600 0.115 0.000 1.272 101 S CA -0.690 57.582 58.200 0.121 0.000 1.050 101 S CB -0.160 63.094 63.200 0.090 0.000 0.961 101 S HN 0.335 nan 8.310 nan 0.000 0.496 102 I N 4.852 125.431 120.570 0.015 0.000 2.312 102 I HA 0.303 4.473 4.170 0.000 0.000 0.290 102 I C 1.094 177.209 176.117 -0.004 0.000 1.008 102 I CA -0.371 60.911 61.300 -0.030 0.000 1.226 102 I CB 1.450 39.336 38.000 -0.190 0.000 1.371 102 I HN 0.635 nan 8.210 nan 0.000 0.468 103 N N 3.274 121.979 118.700 0.009 0.000 2.250 103 N HA -0.043 4.697 4.740 0.000 0.000 0.181 103 N C -0.101 175.371 175.510 -0.063 0.000 1.017 103 N CA 1.243 54.257 53.050 -0.059 0.000 0.866 103 N CB 0.351 38.778 38.487 -0.102 0.000 0.985 103 N HN 0.674 nan 8.380 nan 0.000 0.429 104 D N -2.634 117.763 120.400 -0.004 0.000 2.639 104 D HA 0.208 4.848 4.640 0.000 0.000 0.271 104 D C -1.713 174.666 176.300 0.132 0.000 1.254 104 D CA -0.553 53.461 54.000 0.024 0.000 0.810 104 D CB 0.805 41.586 40.800 -0.031 0.000 1.351 104 D HN 0.076 nan 8.370 nan 0.000 0.427 105 Y N -1.158 119.174 120.300 0.053 0.000 2.512 105 Y HA 0.774 5.324 4.550 0.000 0.000 0.348 105 Y C -1.008 174.998 175.900 0.177 0.000 0.990 105 Y CA -0.966 57.192 58.100 0.096 0.000 1.033 105 Y CB 1.773 40.271 38.460 0.063 0.000 1.259 105 Y HN 0.111 nan 8.280 nan 0.000 0.461 106 S N 3.588 119.491 115.700 0.339 0.000 2.502 106 S HA 0.659 5.129 4.470 0.000 0.000 0.304 106 S C -1.091 173.858 174.600 0.581 0.000 1.097 106 S CA -0.705 57.740 58.200 0.408 0.000 1.045 106 S CB 0.528 64.001 63.200 0.455 0.000 1.019 106 S HN 0.683 nan 8.310 nan 0.000 0.481 107 I N 4.037 124.818 120.570 0.351 0.000 2.336 107 I HA 0.255 4.425 4.170 0.000 0.000 0.292 107 I C 0.574 176.423 176.117 -0.448 0.000 0.991 107 I CA -0.515 60.844 61.300 0.098 0.000 1.227 107 I CB 1.819 39.943 38.000 0.207 0.000 1.366 107 I HN 0.746 nan 8.210 nan 0.000 0.466 108 S N 6.346 121.385 115.700 -1.101 0.000 2.537 108 S HA 0.137 4.607 4.470 0.000 0.000 0.286 108 S C -1.904 172.419 174.600 -0.462 0.000 1.299 108 S CA -0.986 56.382 58.200 -1.388 0.000 1.067 108 S CB 0.604 62.965 63.200 -1.399 0.000 0.864 108 S HN 0.422 nan 8.310 nan 0.000 0.494 109 P HA -0.075 nan 4.420 nan 0.000 0.234 109 P C 0.521 177.792 177.300 -0.048 0.000 1.162 109 P CA 1.044 64.097 63.100 -0.078 0.000 0.759 109 P CB -0.098 31.585 31.700 -0.027 0.000 0.813 110 D N -3.018 117.339 120.400 -0.072 0.000 2.423 110 D HA 0.106 4.746 4.640 0.000 0.000 0.212 110 D C 1.571 177.852 176.300 -0.032 0.000 1.060 110 D CA 0.868 54.856 54.000 -0.020 0.000 0.872 110 D CB -0.500 40.323 40.800 0.038 0.000 1.012 110 D HN 0.164 nan 8.370 nan 0.000 0.503 111 G N 0.519 109.283 108.800 -0.059 0.000 2.254 111 G HA2 -0.360 3.601 3.960 0.000 0.000 0.225 111 G HA3 -0.360 3.601 3.960 0.000 0.000 0.225 111 G C 1.220 176.086 174.900 -0.056 0.000 1.003 111 G CA 0.377 45.474 45.100 -0.005 0.000 0.622 111 G HN 0.381 nan 8.290 nan 0.000 0.507 112 Q N -0.720 118.947 119.800 -0.222 0.000 2.167 112 Q HA 0.265 4.605 4.340 0.000 0.000 0.202 112 Q C 0.247 175.774 176.000 -0.789 0.000 0.970 112 Q CA 1.011 56.484 55.803 -0.551 0.000 0.855 112 Q CB 0.058 28.308 28.738 -0.814 0.000 0.911 112 Q HN 0.562 nan 8.270 nan 0.000 0.438 113 F N -0.797 119.082 119.950 -0.118 0.000 2.563 113 F HA 0.509 5.036 4.527 0.000 0.000 0.316 113 F C -0.528 175.276 175.800 0.007 0.000 1.076 113 F CA -1.281 56.698 58.000 -0.036 0.000 0.921 113 F CB 1.511 40.508 39.000 -0.004 0.000 1.209 113 F HN -0.189 nan 8.300 nan 0.000 0.462 114 I N 3.325 124.140 120.570 0.408 0.000 2.466 114 I HA 0.416 4.586 4.170 0.000 0.000 0.289 114 I C -1.584 174.841 176.117 0.512 0.000 1.026 114 I CA -1.103 60.439 61.300 0.404 0.000 1.078 114 I CB 1.319 39.476 38.000 0.262 0.000 1.249 114 I HN 0.499 nan 8.210 nan 0.000 0.429 115 L N 8.499 130.120 121.223 0.662 0.000 2.361 115 L HA 0.389 4.729 4.340 0.000 0.000 0.278 115 L C -1.041 176.013 176.870 0.306 0.000 1.113 115 L CA 0.358 55.474 54.840 0.460 0.000 0.849 115 L CB 0.520 42.801 42.059 0.369 0.000 1.155 115 L HN 0.490 nan 8.230 nan 0.000 0.452 116 L N 5.181 126.518 121.223 0.190 0.000 2.309 116 L HA 0.498 4.838 4.340 0.000 0.000 0.282 116 L C -0.004 176.942 176.870 0.127 0.000 1.036 116 L CA -0.370 54.498 54.840 0.047 0.000 0.806 116 L CB 1.486 43.373 42.059 -0.287 0.000 1.220 116 L HN 0.609 nan 8.230 nan 0.000 0.429 117 E N 3.511 123.745 120.200 0.056 0.000 2.185 117 E HA 0.400 4.750 4.350 0.000 0.000 0.261 117 E C -1.736 174.867 176.600 0.004 0.000 0.879 117 E CA -0.520 55.802 56.400 -0.130 0.000 0.756 117 E CB 1.395 31.078 29.700 -0.029 0.000 1.152 117 E HN 0.447 nan 8.360 nan 0.000 0.416 118 Y N 1.644 121.768 120.300 -0.293 0.000 2.818 118 Y HA 0.478 5.028 4.550 0.000 0.000 0.322 118 Y C 0.039 175.869 175.900 -0.118 0.000 1.323 118 Y CA -1.653 56.371 58.100 -0.127 0.000 1.090 118 Y CB 0.205 38.645 38.460 -0.034 0.000 1.328 118 Y HN 0.457 nan 8.280 nan 0.000 0.482 119 N N -0.712 117.977 118.700 -0.019 0.000 2.721 119 N HA -0.301 4.439 4.740 0.000 0.000 0.249 119 N C -0.950 174.542 175.510 -0.029 0.000 1.072 119 N CA 1.005 54.007 53.050 -0.080 0.000 0.710 119 N CB -1.793 36.525 38.487 -0.282 0.000 0.993 119 N HN 0.840 nan 8.380 nan 0.000 0.547 120 Y N 0.075 120.334 120.300 -0.069 0.000 2.610 120 Y HA 0.263 4.814 4.550 0.000 0.000 0.332 120 Y C 0.123 176.025 175.900 0.004 0.000 1.201 120 Y CA 0.096 58.182 58.100 -0.022 0.000 1.465 120 Y CB 0.721 39.129 38.460 -0.086 0.000 1.283 120 Y HN -0.015 nan 8.280 nan 0.000 0.563 121 V N 7.882 127.459 119.914 -0.563 0.000 2.509 121 V HA 0.174 4.294 4.120 0.000 0.000 0.289 121 V C -0.390 175.333 176.094 -0.618 0.000 1.026 121 V CA -1.431 60.590 62.300 -0.464 0.000 0.872 121 V CB 1.283 32.982 31.823 -0.207 0.000 1.017 121 V HN 0.768 nan 8.190 nan 0.000 0.436 122 K N 3.467 123.472 120.400 -0.658 0.000 2.436 122 K HA 0.178 4.498 4.320 0.000 0.000 0.275 122 K C 0.556 176.980 176.600 -0.294 0.000 0.999 122 K CA 0.287 56.341 56.287 -0.389 0.000 0.980 122 K CB 1.179 33.622 32.500 -0.095 0.000 0.919 122 K HN 0.811 nan 8.250 nan 0.000 0.484 123 Q N 3.032 122.638 119.800 -0.324 0.000 2.263 123 Q HA 0.132 4.472 4.340 0.000 0.000 0.258 123 Q C 0.023 175.739 176.000 -0.475 0.000 0.993 123 Q CA -0.127 55.292 55.803 -0.640 0.000 0.820 123 Q CB 0.036 28.226 28.738 -0.913 0.000 1.737 123 Q HN 0.724 nan 8.270 nan 0.000 0.522 124 W N -0.181 121.118 121.300 -0.001 0.000 1.836 124 W HA 0.405 5.065 4.660 0.000 0.000 0.639 124 W C 1.839 178.340 176.519 -0.030 0.000 1.404 124 W CA -0.746 56.623 57.345 0.041 0.000 1.272 124 W CB -0.243 29.231 29.460 0.023 0.000 3.422 124 W HN 0.198 nan 8.180 nan 0.000 0.765 125 R N -0.640 119.936 120.500 0.126 0.000 2.115 125 R HA -0.126 4.214 4.340 0.000 0.000 0.230 125 R C 1.696 177.806 176.300 -0.317 0.000 1.111 125 R CA 1.645 57.629 56.100 -0.193 0.000 0.976 125 R CB -0.295 29.727 30.300 -0.464 0.000 0.870 125 R HN 0.494 nan 8.270 nan 0.000 0.445 126 H N -1.588 117.567 119.070 0.141 0.000 2.800 126 H HA 0.158 4.714 4.556 0.000 0.000 0.257 126 H C 0.579 176.041 175.328 0.223 0.000 0.967 126 H CA 0.433 56.589 56.048 0.179 0.000 1.192 126 H CB 0.173 30.014 29.762 0.132 0.000 1.441 126 H HN 0.100 nan 8.280 nan 0.000 0.461 127 S N 1.456 117.197 115.700 0.069 0.000 2.576 127 S HA 0.389 4.859 4.470 0.000 0.000 0.276 127 S C -0.218 174.355 174.600 -0.046 0.000 1.339 127 S CA -0.498 57.498 58.200 -0.340 0.000 1.039 127 S CB 0.629 63.064 63.200 -1.275 0.000 0.902 127 S HN 0.459 nan 8.310 nan 0.000 0.516 128 Y N -1.926 118.297 120.300 -0.129 0.000 2.788 128 Y HA 0.768 5.319 4.550 0.000 0.000 0.335 128 Y C -0.690 175.228 175.900 0.030 0.000 1.287 128 Y CA -1.028 56.981 58.100 -0.151 0.000 1.068 128 Y CB 0.766 39.112 38.460 -0.191 0.000 1.340 128 Y HN 0.837 nan 8.280 nan 0.000 0.449 129 T N -0.478 114.126 114.554 0.085 0.000 2.906 129 T HA 0.977 5.327 4.350 0.000 0.000 0.295 129 T C -0.771 174.018 174.700 0.148 0.000 1.061 129 T CA -0.191 61.975 62.100 0.109 0.000 1.000 129 T CB 1.784 70.685 68.868 0.055 0.000 1.103 129 T HN 1.757 nan 8.240 nan 0.000 0.486 130 A N 1.005 123.908 122.820 0.139 0.000 2.599 130 A HA 0.827 5.147 4.320 0.000 0.000 0.290 130 A C -0.582 176.808 177.584 -0.325 0.000 1.101 130 A CA -0.976 51.001 52.037 -0.100 0.000 0.674 130 A CB 1.224 20.142 19.000 -0.136 0.000 1.277 130 A HN 0.879 nan 8.150 nan 0.000 0.419 131 S N -0.585 114.672 115.700 -0.739 0.000 2.608 131 S HA 0.774 5.244 4.470 0.000 0.000 0.291 131 S C -1.505 172.448 174.600 -1.079 0.000 1.146 131 S CA -0.034 57.633 58.200 -0.888 0.000 1.043 131 S CB 0.588 63.009 63.200 -1.299 0.000 1.037 131 S HN 0.440 nan 8.310 nan 0.000 0.520 132 Y N 0.256 120.369 120.300 -0.312 0.000 2.457 132 Y HA 0.453 5.003 4.550 0.000 0.000 0.343 132 Y C -0.425 175.515 175.900 0.066 0.000 0.994 132 Y CA -0.882 57.177 58.100 -0.068 0.000 1.031 132 Y CB 1.826 40.157 38.460 -0.216 0.000 1.246 132 Y HN 0.513 nan 8.280 nan 0.000 0.449 133 D N 3.193 123.789 120.400 0.327 0.000 2.738 133 D HA 0.507 5.147 4.640 0.000 0.000 0.237 133 D C -0.915 175.506 176.300 0.200 0.000 1.123 133 D CA -0.350 53.795 54.000 0.242 0.000 0.856 133 D CB 2.934 43.941 40.800 0.346 0.000 1.552 133 D HN 0.400 nan 8.370 nan 0.000 0.480 134 I N 1.641 122.310 120.570 0.165 0.000 2.392 134 I HA 0.241 4.411 4.170 0.000 0.000 0.295 134 I C -0.720 175.566 176.117 0.281 0.000 0.985 134 I CA -0.866 60.570 61.300 0.227 0.000 1.221 134 I CB 1.254 39.348 38.000 0.158 0.000 1.366 134 I HN 0.239 nan 8.210 nan 0.000 0.467 135 Y N 4.859 125.294 120.300 0.225 0.000 2.331 135 Y HA 0.259 4.809 4.550 0.000 0.000 0.338 135 Y C -0.096 175.985 175.900 0.301 0.000 0.992 135 Y CA -0.611 57.627 58.100 0.230 0.000 1.121 135 Y CB 1.032 39.622 38.460 0.217 0.000 1.184 135 Y HN 0.466 nan 8.280 nan 0.000 0.469 136 D N 5.769 126.124 120.400 -0.076 0.000 2.352 136 D HA 0.056 4.696 4.640 0.000 0.000 0.245 136 D C 0.580 176.777 176.300 -0.171 0.000 1.224 136 D CA 0.354 54.346 54.000 -0.015 0.000 0.879 136 D CB 0.981 41.793 40.800 0.019 0.000 1.057 136 D HN 0.826 nan 8.370 nan 0.000 0.491 137 L N 3.918 125.099 121.223 -0.071 0.000 2.456 137 L HA -0.066 4.274 4.340 0.000 0.000 0.224 137 L C 1.882 178.712 176.870 -0.068 0.000 1.148 137 L CA 0.618 55.459 54.840 0.002 0.000 0.825 137 L CB -0.018 42.029 42.059 -0.020 0.000 0.937 137 L HN 0.399 nan 8.230 nan 0.000 0.450 138 N N -0.811 117.797 118.700 -0.153 0.000 2.405 138 N HA -0.036 4.704 4.740 0.000 0.000 0.175 138 N C 1.338 176.801 175.510 -0.079 0.000 1.051 138 N CA 0.674 53.653 53.050 -0.119 0.000 0.899 138 N CB 0.310 38.701 38.487 -0.161 0.000 1.000 138 N HN 0.365 nan 8.380 nan 0.000 0.451 139 K N 0.390 120.735 120.400 -0.092 0.000 2.370 139 K HA 0.259 4.579 4.320 0.000 0.000 0.194 139 K C -0.151 176.400 176.600 -0.083 0.000 1.070 139 K CA -0.205 56.038 56.287 -0.073 0.000 0.998 139 K CB 0.920 33.379 32.500 -0.068 0.000 0.911 139 K HN -0.080 nan 8.250 nan 0.000 0.533 140 R N 1.856 122.280 120.500 -0.127 0.000 3.264 140 R HA -0.198 4.142 4.340 0.000 0.000 0.251 140 R C -0.777 175.442 176.300 -0.134 0.000 0.971 140 R CA 0.689 56.742 56.100 -0.079 0.000 0.658 140 R CB -1.733 28.634 30.300 0.112 0.000 1.095 140 R HN 0.415 nan 8.270 nan 0.000 0.443 141 Q N -0.119 119.426 119.800 -0.426 0.000 2.544 141 Q HA 0.465 4.805 4.340 0.000 0.000 0.291 141 Q C -0.478 175.258 176.000 -0.441 0.000 1.068 141 Q CA -1.178 54.477 55.803 -0.247 0.000 0.785 141 Q CB 1.651 30.330 28.738 -0.097 0.000 1.481 141 Q HN -0.013 nan 8.270 nan 0.000 0.430 142 L N 1.682 122.875 121.223 -0.049 0.000 2.416 142 L HA 0.223 4.563 4.340 0.000 0.000 0.272 142 L C 0.115 176.979 176.870 -0.010 0.000 1.161 142 L CA 0.245 55.116 54.840 0.051 0.000 0.845 142 L CB 0.072 42.241 42.059 0.184 0.000 1.119 142 L HN 0.612 nan 8.230 nan 0.000 0.464 143 I N 2.807 123.380 120.570 0.006 0.000 2.455 143 I HA -0.062 4.108 4.170 0.000 0.000 0.303 143 I C 1.583 177.695 176.117 -0.008 0.000 1.180 143 I CA 0.267 61.563 61.300 -0.006 0.000 1.469 143 I CB 0.029 38.019 38.000 -0.016 0.000 1.480 143 I HN 0.691 nan 8.210 nan 0.000 0.669 144 T N 1.061 115.609 114.554 -0.011 0.000 3.072 144 T HA 0.039 4.389 4.350 0.000 0.000 0.266 144 T C 0.666 175.346 174.700 -0.034 0.000 1.127 144 T CA 0.319 62.408 62.100 -0.019 0.000 1.107 144 T CB -0.373 68.485 68.868 -0.016 0.000 0.910 144 T HN 0.494 nan 8.240 nan 0.000 0.513 145 E N 1.861 122.039 120.200 -0.036 0.000 2.319 145 E HA 0.183 4.533 4.350 0.000 0.000 0.268 145 E C -0.286 176.276 176.600 -0.064 0.000 1.050 145 E CA -0.808 55.565 56.400 -0.045 0.000 0.878 145 E CB 0.486 30.165 29.700 -0.035 0.000 1.066 145 E HN 0.220 nan 8.360 nan 0.000 0.406 146 E N 1.533 121.689 120.200 -0.073 0.000 2.023 146 E HA -0.264 4.086 4.350 0.000 0.000 0.164 146 E C -0.497 176.030 176.600 -0.122 0.000 1.456 146 E CA 0.871 57.213 56.400 -0.097 0.000 0.617 146 E CB -1.209 28.438 29.700 -0.088 0.000 1.042 146 E HN 0.385 nan 8.360 nan 0.000 0.301 147 R N 0.189 120.609 120.500 -0.133 0.000 2.694 147 R HA 0.284 4.624 4.340 0.000 0.000 0.268 147 R C 1.035 177.182 176.300 -0.256 0.000 1.061 147 R CA -0.385 55.622 56.100 -0.155 0.000 1.133 147 R CB 0.549 30.775 30.300 -0.123 0.000 1.020 147 R HN 0.256 nan 8.270 nan 0.000 0.475 148 I N 4.736 125.120 120.570 -0.310 0.000 2.588 148 I HA 0.073 4.243 4.170 0.000 0.000 0.283 148 I C -1.732 174.089 176.117 -0.492 0.000 1.119 148 I CA -1.709 59.254 61.300 -0.562 0.000 1.419 148 I CB 0.637 38.254 38.000 -0.639 0.000 1.394 148 I HN 0.357 nan 8.210 nan 0.000 0.562 149 P HA 0.071 nan 4.420 nan 0.000 0.272 149 P C -0.774 176.313 177.300 -0.354 0.000 1.230 149 P CA -0.351 62.382 63.100 -0.612 0.000 0.788 149 P CB 0.358 31.350 31.700 -1.181 0.000 0.949 150 N N 1.523 120.083 118.700 -0.233 0.000 2.482 150 N HA 0.017 4.757 4.740 0.000 0.000 0.260 150 N C 0.167 175.730 175.510 0.088 0.000 1.236 150 N CA 0.237 53.228 53.050 -0.098 0.000 0.938 150 N CB -0.570 37.873 38.487 -0.073 0.000 1.128 150 N HN 0.430 nan 8.380 nan 0.000 0.448 151 N N -1.645 117.115 118.700 0.099 0.000 2.780 151 N HA -0.161 4.579 4.740 0.000 0.000 0.248 151 N C -1.087 174.623 175.510 0.334 0.000 1.102 151 N CA 0.517 53.679 53.050 0.186 0.000 0.697 151 N CB -1.418 37.180 38.487 0.185 0.000 1.028 151 N HN 0.435 nan 8.380 nan 0.000 0.554 152 T N 0.325 115.048 114.554 0.281 0.000 2.832 152 T HA 0.139 4.489 4.350 0.000 0.000 0.296 152 T C 1.374 176.214 174.700 0.234 0.000 0.968 152 T CA -0.207 62.064 62.100 0.284 0.000 1.107 152 T CB 1.475 70.373 68.868 0.050 0.000 0.916 152 T HN 0.175 nan 8.240 nan 0.000 0.517 153 Q N 1.903 121.838 119.800 0.224 0.000 2.212 153 Q HA 0.125 4.465 4.340 0.000 0.000 0.199 153 Q C 0.084 176.228 176.000 0.240 0.000 0.950 153 Q CA 0.505 56.449 55.803 0.236 0.000 0.863 153 Q CB 0.701 29.555 28.738 0.192 0.000 0.944 153 Q HN 0.689 nan 8.270 nan 0.000 0.465 154 W N 0.603 121.854 121.300 -0.082 0.000 3.775 154 W HA 0.367 5.027 4.660 0.000 0.000 0.315 154 W C -2.183 174.249 176.519 -0.145 0.000 1.169 154 W CA -0.637 56.623 57.345 -0.141 0.000 1.266 154 W CB 1.008 30.353 29.460 -0.192 0.000 1.269 154 W HN -0.366 nan 8.180 nan 0.000 0.471 155 V N 4.225 123.505 119.914 -1.057 0.000 2.483 155 V HA 0.733 4.853 4.120 0.000 0.000 0.295 155 V C -0.020 175.500 176.094 -0.957 0.000 1.035 155 V CA -0.499 61.264 62.300 -0.896 0.000 0.896 155 V CB 1.451 32.614 31.823 -1.101 0.000 0.986 155 V HN 0.477 nan 8.190 nan 0.000 0.447 156 T N 3.227 117.531 114.554 -0.416 0.000 2.956 156 T HA 0.523 4.873 4.350 0.000 0.000 0.312 156 T C -1.455 173.274 174.700 0.048 0.000 1.151 156 T CA -0.406 61.647 62.100 -0.078 0.000 1.024 156 T CB 0.886 69.987 68.868 0.389 0.000 1.140 156 T HN 0.556 nan 8.240 nan 0.000 0.473 157 W N 3.124 124.503 121.300 0.131 0.000 2.237 157 W HA 0.485 5.145 4.660 0.000 0.000 0.335 157 W C 1.105 177.425 176.519 -0.331 0.000 1.230 157 W CA -0.751 56.580 57.345 -0.024 0.000 1.253 157 W CB 0.749 30.208 29.460 -0.003 0.000 1.129 157 W HN 0.792 nan 8.180 nan 0.000 0.590 158 S N 1.728 117.035 115.700 -0.655 0.000 2.572 158 S HA 0.088 4.558 4.470 0.000 0.000 0.279 158 S C -1.805 172.569 174.600 -0.378 0.000 1.341 158 S CA -0.942 56.490 58.200 -1.280 0.000 1.043 158 S CB 0.920 63.233 63.200 -1.478 0.000 0.887 158 S HN 0.281 nan 8.310 nan 0.000 0.516 159 P HA -0.061 nan 4.420 nan 0.000 0.217 159 P C 0.447 177.722 177.300 -0.043 0.000 1.148 159 P CA 1.233 64.318 63.100 -0.024 0.000 0.828 159 P CB -0.194 31.520 31.700 0.022 0.000 0.783 160 V N -6.916 112.933 119.914 -0.109 0.000 3.040 160 V HA 0.884 5.004 4.120 0.000 0.000 0.312 160 V C 0.371 176.384 176.094 -0.135 0.000 1.115 160 V CA -0.331 61.917 62.300 -0.087 0.000 0.998 160 V CB 1.103 32.895 31.823 -0.052 0.000 1.042 160 V HN 0.439 nan 8.190 nan 0.000 0.433 161 G N 2.460 111.203 108.800 -0.097 0.000 2.539 161 G HA2 -0.163 3.797 3.960 0.000 0.000 0.256 161 G HA3 -0.163 3.797 3.960 0.000 0.000 0.256 161 G C 0.133 174.994 174.900 -0.066 0.000 1.233 161 G CA 0.568 45.597 45.100 -0.118 0.000 0.936 161 G HN 2.532 nan 8.290 nan 0.000 0.571 162 H N -0.296 118.791 119.070 0.029 0.000 2.790 162 H HA 0.489 5.045 4.556 0.000 0.000 0.232 162 H C 0.166 175.675 175.328 0.301 0.000 1.313 162 H CA -0.274 55.867 56.048 0.156 0.000 1.011 162 H CB -0.158 29.764 29.762 0.267 0.000 2.105 162 H HN 0.485 nan 8.280 nan 0.000 0.580 163 K N 1.345 121.793 120.400 0.080 0.000 2.237 163 K HA 0.295 4.615 4.320 0.000 0.000 0.270 163 K C -0.526 176.180 176.600 0.177 0.000 1.015 163 K CA -0.708 55.604 56.287 0.042 0.000 0.949 163 K CB 1.370 33.696 32.500 -0.290 0.000 0.976 163 K HN 0.055 nan 8.250 nan 0.000 0.472 164 L N 1.842 123.203 121.223 0.229 0.000 2.329 164 L HA 0.527 4.867 4.340 0.000 0.000 0.279 164 L C -0.606 176.507 176.870 0.404 0.000 1.014 164 L CA -0.436 54.500 54.840 0.161 0.000 0.814 164 L CB 1.419 43.455 42.059 -0.039 0.000 1.257 164 L HN 0.776 nan 8.230 nan 0.000 0.424 165 A N 4.498 127.560 122.820 0.403 0.000 2.343 165 A HA 0.750 5.070 4.320 0.000 0.000 0.308 165 A C -1.493 176.133 177.584 0.071 0.000 1.092 165 A CA -0.406 51.722 52.037 0.151 0.000 0.751 165 A CB 0.983 19.938 19.000 -0.076 0.000 1.203 165 A HN 0.635 nan 8.150 nan 0.000 0.452 166 Y N -0.028 120.233 120.300 -0.066 0.000 2.553 166 Y HA 0.769 5.319 4.550 0.000 0.000 0.347 166 Y C -1.145 174.766 175.900 0.018 0.000 1.019 166 Y CA -1.565 56.469 58.100 -0.109 0.000 1.032 166 Y CB 1.156 39.459 38.460 -0.263 0.000 1.284 166 Y HN 0.361 nan 8.280 nan 0.000 0.466 167 V N 2.754 122.783 119.914 0.193 0.000 2.483 167 V HA 0.408 4.528 4.120 0.000 0.000 0.295 167 V C -1.294 175.014 176.094 0.356 0.000 1.035 167 V CA -0.597 61.806 62.300 0.172 0.000 0.896 167 V CB 1.312 33.156 31.823 0.035 0.000 0.986 167 V HN 0.909 nan 8.190 nan 0.000 0.447 168 W N 4.721 126.111 121.300 0.149 0.000 3.274 168 W HA 0.433 5.093 4.660 0.000 0.000 0.327 168 W C 0.200 176.775 176.519 0.094 0.000 1.172 168 W CA -0.647 56.762 57.345 0.107 0.000 1.217 168 W CB 1.219 30.712 29.460 0.055 0.000 1.376 168 W HN 0.760 nan 8.180 nan 0.000 0.507 169 N N 4.762 123.041 118.700 -0.702 0.000 2.708 169 N HA -0.339 4.401 4.740 0.000 0.000 0.249 169 N C -0.019 175.310 175.510 -0.301 0.000 1.097 169 N CA 1.100 53.752 53.050 -0.664 0.000 0.710 169 N CB -0.863 36.988 38.487 -1.061 0.000 1.032 169 N HN 0.709 nan 8.380 nan 0.000 0.551 170 N N -1.351 117.253 118.700 -0.161 0.000 2.925 170 N HA -0.135 4.605 4.740 0.000 0.000 0.244 170 N C -1.548 173.900 175.510 -0.104 0.000 1.000 170 N CA 1.573 54.560 53.050 -0.106 0.000 0.895 170 N CB -0.517 37.871 38.487 -0.164 0.000 1.119 170 N HN 0.517 nan 8.380 nan 0.000 0.569 171 D N -0.307 120.036 120.400 -0.094 0.000 2.490 171 D HA 0.520 5.161 4.640 0.000 0.000 0.232 171 D C 0.432 176.604 176.300 -0.213 0.000 1.053 171 D CA -0.445 53.437 54.000 -0.196 0.000 0.914 171 D CB 1.505 42.140 40.800 -0.275 0.000 1.431 171 D HN -0.022 nan 8.370 nan 0.000 0.483 172 I N 0.884 121.171 120.570 -0.473 0.000 2.577 172 I HA 0.321 4.491 4.170 0.000 0.000 0.300 172 I C -0.775 174.882 176.117 -0.767 0.000 0.990 172 I CA -0.473 60.520 61.300 -0.511 0.000 1.283 172 I CB 0.727 38.346 38.000 -0.634 0.000 1.411 172 I HN 0.181 nan 8.210 nan 0.000 0.515 173 Y N 3.034 122.973 120.300 -0.601 0.000 2.479 173 Y HA 0.541 5.091 4.550 0.000 0.000 0.338 173 Y C -0.720 174.862 175.900 -0.531 0.000 1.055 173 Y CA -0.855 56.839 58.100 -0.676 0.000 1.023 173 Y CB 2.133 39.846 38.460 -1.244 0.000 1.287 173 Y HN 0.096 nan 8.280 nan 0.000 0.447 174 V N 3.662 123.526 119.914 -0.083 0.000 2.540 174 V HA 0.469 4.589 4.120 0.000 0.000 0.302 174 V C -0.839 175.401 176.094 0.243 0.000 1.035 174 V CA -1.332 61.024 62.300 0.093 0.000 0.873 174 V CB 1.873 33.763 31.823 0.110 0.000 0.992 174 V HN 0.606 nan 8.190 nan 0.000 0.428 175 K N 4.716 125.259 120.400 0.239 0.000 2.339 175 K HA 0.484 4.804 4.320 0.000 0.000 0.264 175 K C 0.296 177.039 176.600 0.239 0.000 0.986 175 K CA -0.746 55.673 56.287 0.221 0.000 0.866 175 K CB 1.792 34.376 32.500 0.140 0.000 1.103 175 K HN 0.392 nan 8.250 nan 0.000 0.441 176 I N 1.244 121.979 120.570 0.276 0.000 2.439 176 I HA -0.081 4.089 4.170 0.000 0.000 0.251 176 I C 0.341 176.567 176.117 0.181 0.000 1.139 176 I CA 1.425 62.846 61.300 0.202 0.000 1.438 176 I CB -0.363 37.754 38.000 0.196 0.000 1.085 176 I HN 0.569 nan 8.210 nan 0.000 0.427 177 E N -0.100 120.200 120.200 0.166 0.000 2.256 177 E HA 0.281 4.631 4.350 0.000 0.000 0.268 177 E C -1.902 174.689 176.600 -0.015 0.000 0.877 177 E CA -2.116 54.357 56.400 0.122 0.000 0.757 177 E CB 1.648 31.418 29.700 0.117 0.000 1.183 177 E HN -0.153 nan 8.360 nan 0.000 0.418 178 P HA -0.200 nan 4.420 nan 0.000 0.219 178 P C 0.725 177.926 177.300 -0.166 0.000 1.145 178 P CA 1.420 64.360 63.100 -0.266 0.000 0.813 178 P CB 0.290 31.584 31.700 -0.676 0.000 0.771 179 N N -2.216 116.410 118.700 -0.123 0.000 2.187 179 N HA 0.053 4.793 4.740 0.000 0.000 0.212 179 N C -0.073 175.411 175.510 -0.043 0.000 1.152 179 N CA 0.009 53.019 53.050 -0.068 0.000 0.872 179 N CB -0.112 38.350 38.487 -0.041 0.000 1.025 179 N HN 0.081 nan 8.380 nan 0.000 0.514 180 L N 1.742 122.945 121.223 -0.032 0.000 2.343 180 L HA 0.528 4.868 4.340 0.000 0.000 0.275 180 L C -2.158 174.665 176.870 -0.078 0.000 1.056 180 L CA -1.933 52.889 54.840 -0.030 0.000 0.804 180 L CB 1.095 43.167 42.059 0.021 0.000 1.203 180 L HN -0.087 nan 8.230 nan 0.000 0.440 181 P HA 0.094 nan 4.420 nan 0.000 0.267 181 P C -0.766 176.348 177.300 -0.310 0.000 1.200 181 P CA -0.012 62.979 63.100 -0.181 0.000 0.772 181 P CB 0.491 32.081 31.700 -0.183 0.000 0.855 182 S N 1.257 116.832 115.700 -0.209 0.000 2.614 182 S HA 0.305 4.775 4.470 0.000 0.000 0.265 182 S C -0.512 173.887 174.600 -0.335 0.000 1.303 182 S CA -0.001 58.104 58.200 -0.158 0.000 1.000 182 S CB -0.033 63.211 63.200 0.073 0.000 0.935 182 S HN 0.264 nan 8.310 nan 0.000 0.551 183 Y N 0.469 120.779 120.300 0.018 0.000 2.328 183 Y HA 0.380 4.930 4.550 0.000 0.000 0.336 183 Y C 0.673 176.453 175.900 -0.200 0.000 0.960 183 Y CA -0.819 57.258 58.100 -0.039 0.000 1.134 183 Y CB 0.744 39.190 38.460 -0.023 0.000 1.166 183 Y HN 0.336 nan 8.280 nan 0.000 0.464 184 R N 3.713 124.102 120.500 -0.185 0.000 2.421 184 R HA 0.109 4.449 4.340 0.000 0.000 0.305 184 R C 0.419 176.431 176.300 -0.479 0.000 1.039 184 R CA 0.240 55.940 56.100 -0.667 0.000 1.003 184 R CB 0.571 30.316 30.300 -0.925 0.000 0.959 184 R HN 0.770 nan 8.270 nan 0.000 0.427 185 I N 1.327 121.544 120.570 -0.589 0.000 2.429 185 I HA -0.075 4.095 4.170 0.000 0.000 0.247 185 I C 1.403 177.278 176.117 -0.403 0.000 1.099 185 I CA 1.266 62.325 61.300 -0.401 0.000 1.422 185 I CB -0.818 36.905 38.000 -0.460 0.000 1.112 185 I HN 0.468 nan 8.210 nan 0.000 0.430 186 T N -3.741 110.444 114.554 -0.616 0.000 2.942 186 T HA 0.408 4.758 4.350 0.000 0.000 0.289 186 T C -0.307 174.016 174.700 -0.628 0.000 1.044 186 T CA -0.508 61.322 62.100 -0.449 0.000 1.023 186 T CB 2.090 70.733 68.868 -0.374 0.000 1.123 186 T HN 0.233 nan 8.240 nan 0.000 0.512 187 W N -0.543 120.661 121.300 -0.160 0.000 2.413 187 W HA 0.195 4.855 4.660 0.000 0.000 0.288 187 W C 1.975 178.442 176.519 -0.087 0.000 0.958 187 W CA -0.008 57.270 57.345 -0.112 0.000 1.333 187 W CB 0.336 29.745 29.460 -0.086 0.000 1.002 187 W HN 0.870 nan 8.180 nan 0.000 0.562 188 T N -2.148 112.453 114.554 0.078 0.000 3.122 188 T HA 0.305 4.655 4.350 0.000 0.000 0.250 188 T C 1.119 175.809 174.700 -0.016 0.000 1.067 188 T CA 0.149 62.273 62.100 0.039 0.000 0.966 188 T CB -0.266 68.624 68.868 0.037 0.000 1.002 188 T HN 0.009 nan 8.240 nan 0.000 0.542 189 G N 1.276 110.040 108.800 -0.060 0.000 2.225 189 G HA2 0.345 4.305 3.960 0.000 0.000 0.245 189 G HA3 0.345 4.305 3.960 0.000 0.000 0.245 189 G C -0.602 174.228 174.900 -0.117 0.000 1.249 189 G CA -0.342 44.695 45.100 -0.105 0.000 0.919 189 G HN 0.515 nan 8.290 nan 0.000 0.486 190 K N 1.858 122.164 120.400 -0.155 0.000 2.565 190 K HA 0.142 4.462 4.320 0.000 0.000 0.251 190 K C -0.352 176.115 176.600 -0.222 0.000 0.956 190 K CA -0.647 55.549 56.287 -0.152 0.000 0.809 190 K CB 1.906 34.348 32.500 -0.097 0.000 1.267 190 K HN 0.636 nan 8.250 nan 0.000 0.438 191 E N 2.831 122.923 120.200 -0.180 0.000 2.558 191 E HA -0.124 4.226 4.350 0.000 0.000 0.255 191 E C -0.591 175.924 176.600 -0.142 0.000 0.968 191 E CA 0.884 57.186 56.400 -0.164 0.000 0.939 191 E CB 0.258 29.896 29.700 -0.104 0.000 0.921 191 E HN 0.580 nan 8.360 nan 0.000 0.477 192 D N 2.509 122.811 120.400 -0.163 0.000 3.046 192 D HA -0.237 4.403 4.640 0.000 0.000 0.210 192 D C 0.504 176.806 176.300 0.002 0.000 1.124 192 D CA 1.551 55.555 54.000 0.008 0.000 0.986 192 D CB -0.988 39.858 40.800 0.076 0.000 1.118 192 D HN 0.525 nan 8.370 nan 0.000 0.416 193 I N -1.347 119.117 120.570 -0.177 0.000 3.990 193 I HA 0.078 4.248 4.170 0.000 0.000 0.275 193 I C 0.268 176.355 176.117 -0.049 0.000 1.157 193 I CA -0.017 61.263 61.300 -0.033 0.000 1.338 193 I CB 0.738 38.728 38.000 -0.017 0.000 1.588 193 I HN -0.172 nan 8.210 nan 0.000 0.441 194 I N 1.847 122.286 120.570 -0.218 0.000 2.410 194 I HA 0.296 4.466 4.170 0.000 0.000 0.286 194 I C -1.465 174.525 176.117 -0.213 0.000 1.009 194 I CA -0.489 60.757 61.300 -0.089 0.000 1.111 194 I CB 0.781 38.766 38.000 -0.026 0.000 1.262 194 I HN 0.027 nan 8.210 nan 0.000 0.443 195 Y N 4.333 124.721 120.300 0.148 0.000 2.334 195 Y HA 0.391 4.941 4.550 0.000 0.000 0.336 195 Y C 0.254 176.228 175.900 0.123 0.000 0.960 195 Y CA -0.790 57.404 58.100 0.156 0.000 1.164 195 Y CB 0.977 39.604 38.460 0.279 0.000 1.155 195 Y HN 0.461 nan 8.280 nan 0.000 0.478 196 N N 1.668 120.454 118.700 0.143 0.000 2.444 196 N HA 0.438 5.178 4.740 0.000 0.000 0.262 196 N C 0.665 176.171 175.510 -0.007 0.000 0.974 196 N CA 0.048 53.133 53.050 0.059 0.000 0.933 196 N CB 1.387 39.813 38.487 -0.100 0.000 1.137 196 N HN 0.958 nan 8.380 nan 0.000 0.498 197 G N 1.818 110.655 108.800 0.062 0.000 2.184 197 G HA2 -0.272 3.688 3.960 0.000 0.000 0.264 197 G HA3 -0.272 3.688 3.960 0.000 0.000 0.264 197 G C 0.088 174.918 174.900 -0.117 0.000 0.975 197 G CA 0.775 45.841 45.100 -0.057 0.000 0.642 197 G HN 0.614 nan 8.290 nan 0.000 0.536 198 I N -1.929 118.632 120.570 -0.015 0.000 2.828 198 I HA 0.818 4.988 4.170 0.000 0.000 0.302 198 I C 0.362 176.533 176.117 0.090 0.000 1.101 198 I CA -0.705 60.483 61.300 -0.186 0.000 1.031 198 I CB 2.040 39.699 38.000 -0.569 0.000 1.231 198 I HN 0.153 nan 8.210 nan 0.000 0.427 199 T N -0.376 114.138 114.554 -0.065 0.000 2.899 199 T HA 0.343 4.693 4.350 0.000 0.000 0.284 199 T C -0.078 174.336 174.700 -0.476 0.000 1.004 199 T CA -0.665 61.178 62.100 -0.428 0.000 1.043 199 T CB 1.238 69.901 68.868 -0.341 0.000 1.013 199 T HN 0.771 nan 8.240 nan 0.000 0.518 200 D N 0.454 120.287 120.400 -0.945 0.000 2.425 200 D HA 0.010 4.650 4.640 0.000 0.000 0.274 200 D C 1.054 177.233 176.300 -0.201 0.000 1.242 200 D CA -0.886 52.630 54.000 -0.807 0.000 1.060 200 D CB -0.024 40.312 40.800 -0.775 0.000 1.112 200 D HN 0.682 nan 8.370 nan 0.000 0.561 201 W N -0.006 121.199 121.300 -0.157 0.000 2.322 201 W HA -0.228 4.433 4.660 0.000 0.000 0.326 201 W C 2.288 178.662 176.519 -0.241 0.000 1.224 201 W CA 3.073 60.306 57.345 -0.187 0.000 1.257 201 W CB -0.677 28.617 29.460 -0.277 0.000 1.174 201 W HN 0.180 nan 8.180 nan 0.000 0.460 202 V N -1.247 118.664 119.914 -0.005 0.000 2.392 202 V HA -0.336 3.784 4.120 0.000 0.000 0.249 202 V C 1.800 177.623 176.094 -0.451 0.000 1.059 202 V CA 1.901 64.053 62.300 -0.246 0.000 1.051 202 V CB -1.802 29.907 31.823 -0.189 0.000 0.658 202 V HN 0.314 nan 8.190 nan 0.000 0.455 203 Y N 1.193 121.198 120.300 -0.492 0.000 2.263 203 Y HA -0.117 4.433 4.550 0.000 0.000 0.292 203 Y C 2.806 178.414 175.900 -0.487 0.000 1.130 203 Y CA 1.952 59.663 58.100 -0.650 0.000 1.179 203 Y CB -0.175 37.606 38.460 -1.133 0.000 0.998 203 Y HN 0.357 nan 8.280 nan 0.000 0.532 204 E N 0.473 120.525 120.200 -0.247 0.000 2.038 204 E HA -0.315 4.035 4.350 0.000 0.000 0.195 204 E C 2.024 178.560 176.600 -0.106 0.000 1.000 204 E CA 1.811 58.152 56.400 -0.099 0.000 0.803 204 E CB -0.051 29.616 29.700 -0.054 0.000 0.750 204 E HN 0.416 nan 8.360 nan 0.000 0.448 205 E N -0.004 119.947 120.200 -0.415 0.000 2.042 205 E HA -0.121 4.229 4.350 0.000 0.000 0.189 205 E C 1.721 178.183 176.600 -0.231 0.000 0.974 205 E CA 1.495 57.632 56.400 -0.438 0.000 0.806 205 E CB 0.120 29.147 29.700 -1.122 0.000 0.769 205 E HN 0.247 nan 8.360 nan 0.000 0.451 206 E N -0.637 119.392 120.200 -0.285 0.000 2.389 206 E HA 0.103 4.453 4.350 0.000 0.000 0.199 206 E C 1.791 178.292 176.600 -0.164 0.000 0.978 206 E CA 0.448 56.743 56.400 -0.176 0.000 0.912 206 E CB 0.976 30.553 29.700 -0.206 0.000 0.907 206 E HN 0.205 nan 8.360 nan 0.000 0.494 207 V N -0.205 119.585 119.914 -0.207 0.000 2.854 207 V HA 0.046 4.166 4.120 0.000 0.000 0.236 207 V C 1.532 177.805 176.094 0.299 0.000 1.157 207 V CA 0.673 62.921 62.300 -0.087 0.000 1.187 207 V CB -0.116 31.470 31.823 -0.395 0.000 0.949 207 V HN 0.036 nan 8.190 nan 0.000 0.488 208 F N 0.683 120.629 119.950 -0.006 0.000 2.582 208 F HA 0.300 4.827 4.527 0.000 0.000 0.290 208 F C 1.641 177.403 175.800 -0.065 0.000 1.115 208 F CA 0.058 58.079 58.000 0.034 0.000 1.445 208 F CB -0.646 38.414 39.000 0.100 0.000 1.126 208 F HN 0.159 nan 8.300 nan 0.000 0.574 209 S N 0.297 116.029 115.700 0.053 0.000 3.614 209 S HA 0.031 4.501 4.470 0.000 0.000 0.360 209 S C 0.114 174.290 174.600 -0.706 0.000 1.023 209 S CA 0.476 58.514 58.200 -0.270 0.000 1.114 209 S CB -1.890 61.236 63.200 -0.123 0.000 0.907 209 S HN 0.668 nan 8.310 nan 0.000 0.470 210 A N -0.774 121.862 122.820 -0.307 0.000 2.608 210 A HA 0.691 5.011 4.320 0.000 0.000 0.292 210 A C -0.267 177.357 177.584 0.066 0.000 1.066 210 A CA -0.481 51.442 52.037 -0.190 0.000 0.676 210 A CB 0.319 19.222 19.000 -0.161 0.000 1.277 210 A HN 0.301 nan 8.150 nan 0.000 0.413 211 Y N 0.921 121.148 120.300 -0.122 0.000 2.286 211 Y HA 0.066 4.616 4.550 0.000 0.000 0.293 211 Y C 1.599 177.323 175.900 -0.293 0.000 1.124 211 Y CA 1.170 59.190 58.100 -0.132 0.000 1.178 211 Y CB 0.308 38.720 38.460 -0.081 0.000 1.010 211 Y HN 0.656 nan 8.280 nan 0.000 0.536 212 S N 0.577 115.911 115.700 -0.610 0.000 2.516 212 S HA 0.344 4.814 4.470 0.000 0.000 0.282 212 S C 0.052 174.328 174.600 -0.538 0.000 1.286 212 S CA 0.076 57.700 58.200 -0.960 0.000 1.066 212 S CB 0.732 62.976 63.200 -1.594 0.000 0.884 212 S HN 0.385 nan 8.310 nan 0.000 0.491 213 A N 6.159 128.665 122.820 -0.522 0.000 3.105 213 A HA 0.548 4.868 4.320 0.000 0.000 0.297 213 A C -0.554 176.393 177.584 -1.061 0.000 0.977 213 A CA -0.460 51.215 52.037 -0.603 0.000 1.020 213 A CB -0.049 19.117 19.000 0.277 0.000 1.098 213 A HN 0.723 nan 8.150 nan 0.000 0.497 214 L N 0.173 120.613 121.223 -1.304 0.000 2.408 214 L HA 0.602 4.942 4.340 0.000 0.000 0.268 214 L C -1.169 175.220 176.870 -0.801 0.000 0.986 214 L CA -0.546 53.832 54.840 -0.770 0.000 0.820 214 L CB 2.082 43.916 42.059 -0.375 0.000 1.303 214 L HN 0.484 nan 8.230 nan 0.000 0.411 215 W N 2.386 123.760 121.300 0.124 0.000 2.563 215 W HA 0.216 4.876 4.660 0.000 0.000 0.301 215 W C -1.147 175.623 176.519 0.418 0.000 1.006 215 W CA -1.078 56.455 57.345 0.314 0.000 1.382 215 W CB 1.046 30.738 29.460 0.387 0.000 1.262 215 W HN 0.504 nan 8.180 nan 0.000 0.403 216 W N 2.692 124.198 121.300 0.344 0.000 2.223 216 W HA 0.124 4.784 4.660 0.000 0.000 0.334 216 W C 1.435 177.731 176.519 -0.372 0.000 1.334 216 W CA 0.601 58.001 57.345 0.091 0.000 1.246 216 W CB 0.626 30.123 29.460 0.061 0.000 1.184 216 W HN 0.189 nan 8.180 nan 0.000 0.563 217 S N 3.485 118.822 115.700 -0.606 0.000 2.566 217 S HA 0.018 4.488 4.470 0.000 0.000 0.280 217 S C -1.615 172.674 174.600 -0.519 0.000 1.343 217 S CA -0.931 56.358 58.200 -1.518 0.000 1.036 217 S CB 0.772 63.298 63.200 -1.123 0.000 0.866 217 S HN 0.321 nan 8.310 nan 0.000 0.526 218 P HA -0.176 nan 4.420 nan 0.000 0.218 218 P C 0.801 178.066 177.300 -0.057 0.000 1.150 218 P CA 1.743 64.794 63.100 -0.081 0.000 0.841 218 P CB -0.208 31.499 31.700 0.013 0.000 0.784 219 N N -2.629 116.024 118.700 -0.079 0.000 2.203 219 N HA 0.164 4.904 4.740 0.000 0.000 0.207 219 N C 1.033 176.480 175.510 -0.105 0.000 1.130 219 N CA 0.362 53.370 53.050 -0.069 0.000 0.861 219 N CB -0.584 37.879 38.487 -0.040 0.000 1.005 219 N HN 0.140 nan 8.380 nan 0.000 0.507 220 G N -0.617 108.130 108.800 -0.090 0.000 2.143 220 G HA2 -0.344 3.616 3.960 0.000 0.000 0.249 220 G HA3 -0.344 3.616 3.960 0.000 0.000 0.249 220 G C 0.890 175.823 174.900 0.055 0.000 0.981 220 G CA 0.812 45.882 45.100 -0.050 0.000 0.665 220 G HN 0.376 nan 8.290 nan 0.000 0.528 221 T N -0.140 114.365 114.554 -0.082 0.000 2.674 221 T HA 0.170 4.520 4.350 0.000 0.000 0.265 221 T C 0.885 175.378 174.700 -0.346 0.000 1.039 221 T CA 1.391 63.307 62.100 -0.308 0.000 1.150 221 T CB -0.058 68.472 68.868 -0.562 0.000 0.864 221 T HN 0.326 nan 8.240 nan 0.000 0.427 222 F N 0.306 120.311 119.950 0.092 0.000 2.458 222 F HA 0.635 5.162 4.527 0.000 0.000 0.330 222 F C -0.278 175.615 175.800 0.155 0.000 1.082 222 F CA -1.599 56.500 58.000 0.166 0.000 0.995 222 F CB 1.214 40.413 39.000 0.332 0.000 1.170 222 F HN -0.087 nan 8.300 nan 0.000 0.478 223 L N 2.833 124.213 121.223 0.261 0.000 2.319 223 L HA 0.823 5.163 4.340 0.000 0.000 0.281 223 L C -0.585 176.431 176.870 0.244 0.000 1.005 223 L CA -0.349 54.490 54.840 -0.002 0.000 0.828 223 L CB 0.848 42.616 42.059 -0.486 0.000 1.227 223 L HN 0.700 nan 8.230 nan 0.000 0.415 224 A N 4.790 127.828 122.820 0.363 0.000 2.312 224 A HA 0.803 5.123 4.320 0.000 0.000 0.328 224 A C -1.456 176.287 177.584 0.265 0.000 1.158 224 A CA -0.308 51.836 52.037 0.177 0.000 0.821 224 A CB 0.724 19.872 19.000 0.248 0.000 1.170 224 A HN 0.867 nan 8.150 nan 0.000 0.490 225 Y N -1.763 118.366 120.300 -0.284 0.000 2.624 225 Y HA 0.742 5.292 4.550 0.000 0.000 0.334 225 Y C -0.417 175.406 175.900 -0.127 0.000 1.155 225 Y CA -0.864 57.207 58.100 -0.048 0.000 1.046 225 Y CB 0.875 39.269 38.460 -0.110 0.000 1.316 225 Y HN 0.945 nan 8.280 nan 0.000 0.457 226 A N 2.414 125.390 122.820 0.260 0.000 2.337 226 A HA 0.682 5.002 4.320 0.000 0.000 0.331 226 A C -1.240 176.247 177.584 -0.161 0.000 1.137 226 A CA -0.863 51.156 52.037 -0.029 0.000 0.807 226 A CB 1.832 20.831 19.000 -0.001 0.000 1.250 226 A HN 0.808 nan 8.150 nan 0.000 0.468 227 Q N 1.158 120.770 119.800 -0.313 0.000 2.330 227 Q HA 0.606 4.946 4.340 0.000 0.000 0.269 227 Q C -2.049 173.696 176.000 -0.424 0.000 1.022 227 Q CA -0.361 55.350 55.803 -0.153 0.000 0.796 227 Q CB 1.052 29.923 28.738 0.223 0.000 1.271 227 Q HN 0.598 nan 8.270 nan 0.000 0.450 228 F N 2.290 122.342 119.950 0.169 0.000 2.469 228 F HA 0.432 4.959 4.527 0.000 0.000 0.332 228 F C 0.327 176.291 175.800 0.272 0.000 1.103 228 F CA -0.942 57.135 58.000 0.130 0.000 0.979 228 F CB 1.430 40.400 39.000 -0.050 0.000 1.137 228 F HN 0.432 nan 8.300 nan 0.000 0.463 229 N N 1.738 120.655 118.700 0.361 0.000 2.483 229 N HA 0.233 4.973 4.740 0.000 0.000 0.267 229 N C -0.658 175.014 175.510 0.269 0.000 0.998 229 N CA -0.325 52.890 53.050 0.275 0.000 0.918 229 N CB 1.011 39.601 38.487 0.173 0.000 1.215 229 N HN 0.500 nan 8.380 nan 0.000 0.500 230 D N 1.337 121.913 120.400 0.294 0.000 2.363 230 D HA 0.094 4.734 4.640 0.000 0.000 0.214 230 D C 1.181 177.581 176.300 0.165 0.000 1.093 230 D CA 0.249 54.404 54.000 0.257 0.000 0.837 230 D CB 0.417 41.432 40.800 0.360 0.000 0.948 230 D HN 0.502 nan 8.370 nan 0.000 0.507 231 T N 0.364 114.995 114.554 0.129 0.000 2.635 231 T HA -0.257 4.093 4.350 0.000 0.000 0.265 231 T C 1.481 176.225 174.700 0.074 0.000 1.058 231 T CA 1.498 63.650 62.100 0.086 0.000 1.162 231 T CB -0.016 68.893 68.868 0.069 0.000 0.859 231 T HN 0.282 nan 8.240 nan 0.000 0.449 232 E N 0.080 120.326 120.200 0.075 0.000 2.498 232 E HA 0.145 4.495 4.350 0.000 0.000 0.203 232 E C -0.375 176.264 176.600 0.066 0.000 1.013 232 E CA -0.197 56.239 56.400 0.060 0.000 0.927 232 E CB 0.602 30.332 29.700 0.049 0.000 1.012 232 E HN 0.221 nan 8.360 nan 0.000 0.482 233 V N 3.870 123.836 119.914 0.087 0.000 2.479 233 V HA 0.065 4.185 4.120 0.000 0.000 0.281 233 V C -2.107 174.035 176.094 0.081 0.000 1.031 233 V CA -1.240 61.116 62.300 0.092 0.000 1.038 233 V CB 0.089 31.984 31.823 0.121 0.000 0.981 233 V HN 0.068 nan 8.190 nan 0.000 0.478 234 P HA 0.219 nan 4.420 nan 0.000 0.268 234 P C -0.496 176.836 177.300 0.053 0.000 1.205 234 P CA -0.168 62.963 63.100 0.052 0.000 0.771 234 P CB 0.447 32.176 31.700 0.049 0.000 0.858 235 L N 2.780 124.014 121.223 0.018 0.000 2.350 235 L HA 0.393 4.733 4.340 0.000 0.000 0.275 235 L C 0.639 177.462 176.870 -0.078 0.000 1.099 235 L CA -0.817 54.017 54.840 -0.011 0.000 0.808 235 L CB 0.418 42.463 42.059 -0.024 0.000 1.149 235 L HN 0.294 nan 8.230 nan 0.000 0.442 236 I N 2.004 122.481 120.570 -0.156 0.000 2.396 236 I HA 0.201 4.371 4.170 0.000 0.000 0.292 236 I C -0.296 175.676 176.117 -0.243 0.000 0.999 236 I CA 0.287 61.399 61.300 -0.314 0.000 1.310 236 I CB 0.797 38.344 38.000 -0.755 0.000 1.404 236 I HN 0.565 nan 8.210 nan 0.000 0.496 237 E N 7.524 127.602 120.200 -0.204 0.000 2.199 237 E HA 0.463 4.813 4.350 0.000 0.000 0.265 237 E C -1.767 174.778 176.600 -0.091 0.000 0.882 237 E CA -0.577 55.708 56.400 -0.191 0.000 0.759 237 E CB 1.881 31.497 29.700 -0.140 0.000 1.148 237 E HN 0.552 nan 8.360 nan 0.000 0.412 238 Y N -1.589 118.623 120.300 -0.146 0.000 2.597 238 Y HA 0.535 5.085 4.550 0.000 0.000 0.340 238 Y C -0.654 175.174 175.900 -0.119 0.000 1.097 238 Y CA -1.329 56.695 58.100 -0.127 0.000 1.037 238 Y CB 0.836 39.228 38.460 -0.112 0.000 1.305 238 Y HN 0.179 nan 8.280 nan 0.000 0.463 239 S N 2.124 117.809 115.700 -0.026 0.000 2.565 239 S HA 0.434 4.904 4.470 0.000 0.000 0.274 239 S C -1.276 173.147 174.600 -0.294 0.000 1.309 239 S CA -0.404 57.629 58.200 -0.279 0.000 1.043 239 S CB 0.425 63.304 63.200 -0.535 0.000 0.939 239 S HN 0.552 nan 8.310 nan 0.000 0.504 240 F N 2.038 121.724 119.950 -0.438 0.000 2.467 240 F HA 0.426 4.953 4.527 0.000 0.000 0.336 240 F C -0.025 175.541 175.800 -0.390 0.000 1.123 240 F CA -0.819 57.000 58.000 -0.301 0.000 0.964 240 F CB 0.883 39.836 39.000 -0.078 0.000 1.136 240 F HN 0.664 nan 8.300 nan 0.000 0.447 241 Y N 2.585 122.702 120.300 -0.305 0.000 2.347 241 Y HA 0.116 4.666 4.550 0.000 0.000 0.294 241 Y C 1.639 177.478 175.900 -0.102 0.000 1.117 241 Y CA 1.100 59.099 58.100 -0.168 0.000 1.184 241 Y CB -0.325 38.020 38.460 -0.193 0.000 1.047 241 Y HN 0.735 nan 8.280 nan 0.000 0.546 242 S N -0.349 115.289 115.700 -0.104 0.000 3.740 242 S HA -0.286 4.184 4.470 0.000 0.000 0.637 242 S C -0.340 174.304 174.600 0.074 0.000 2.126 242 S CA -0.080 58.185 58.200 0.110 0.000 2.309 242 S CB -1.360 61.986 63.200 0.243 0.000 0.330 242 S HN 0.568 nan 8.310 nan 0.000 1.786 243 D N 1.312 121.774 120.400 0.103 0.000 2.390 243 D HA 0.193 4.833 4.640 0.000 0.000 0.236 243 D C 1.605 177.937 176.300 0.053 0.000 1.189 243 D CA 0.900 54.941 54.000 0.069 0.000 0.887 243 D CB 0.406 41.248 40.800 0.071 0.000 1.198 243 D HN 0.574 nan 8.370 nan 0.000 0.444 244 E N 0.288 120.507 120.200 0.032 0.000 2.338 244 E HA -0.195 4.155 4.350 0.000 0.000 0.197 244 E C 1.452 178.064 176.600 0.020 0.000 1.007 244 E CA 0.967 57.378 56.400 0.018 0.000 0.849 244 E CB -0.192 29.509 29.700 0.001 0.000 0.774 244 E HN 0.348 nan 8.360 nan 0.000 0.506 245 S N 0.633 116.351 115.700 0.030 0.000 2.447 245 S HA -0.101 4.369 4.470 0.000 0.000 0.233 245 S C 0.935 175.561 174.600 0.043 0.000 1.006 245 S CA -0.079 58.140 58.200 0.031 0.000 0.957 245 S CB -0.327 62.894 63.200 0.035 0.000 0.773 245 S HN 0.305 nan 8.310 nan 0.000 0.507 246 L N 2.484 123.742 121.223 0.058 0.000 2.369 246 L HA 0.314 4.654 4.340 0.000 0.000 0.279 246 L C 1.359 178.266 176.870 0.062 0.000 1.108 246 L CA 0.136 55.023 54.840 0.077 0.000 0.852 246 L CB 0.671 42.792 42.059 0.104 0.000 1.169 246 L HN 0.302 nan 8.230 nan 0.000 0.452 247 Q N 3.918 123.756 119.800 0.063 0.000 2.083 247 Q HA -0.059 4.281 4.340 0.000 0.000 0.198 247 Q C -0.494 175.442 176.000 -0.107 0.000 0.969 247 Q CA 1.224 57.014 55.803 -0.021 0.000 0.838 247 Q CB 0.138 28.878 28.738 0.004 0.000 0.900 247 Q HN 0.678 nan 8.270 nan 0.000 0.436 248 Y N 0.811 121.128 120.300 0.028 0.000 2.352 248 Y HA 0.377 4.928 4.550 0.000 0.000 0.339 248 Y C -2.057 173.862 175.900 0.032 0.000 0.992 248 Y CA -2.964 55.151 58.100 0.026 0.000 1.100 248 Y CB 1.303 39.770 38.460 0.011 0.000 1.192 248 Y HN 0.165 nan 8.280 nan 0.000 0.458 249 P HA 0.020 nan 4.420 nan 0.000 0.268 249 P C -0.777 176.549 177.300 0.042 0.000 1.205 249 P CA -0.491 62.656 63.100 0.077 0.000 0.771 249 P CB 0.650 32.361 31.700 0.018 0.000 0.858 250 K N 1.614 122.027 120.400 0.023 0.000 2.270 250 K HA 0.251 4.571 4.320 0.000 0.000 0.276 250 K C -0.615 175.946 176.600 -0.064 0.000 1.023 250 K CA -0.165 56.124 56.287 0.003 0.000 0.955 250 K CB 0.234 32.762 32.500 0.047 0.000 0.975 250 K HN 0.331 nan 8.250 nan 0.000 0.471 251 T N 3.505 118.004 114.554 -0.090 0.000 2.743 251 T HA 0.220 4.570 4.350 0.000 0.000 0.292 251 T C -0.598 173.978 174.700 -0.207 0.000 0.972 251 T CA -0.711 61.299 62.100 -0.150 0.000 0.967 251 T CB 1.039 69.833 68.868 -0.122 0.000 0.926 251 T HN 0.331 nan 8.240 nan 0.000 0.459 252 V N 5.344 125.040 119.914 -0.363 0.000 2.498 252 V HA 0.383 4.504 4.120 0.000 0.000 0.279 252 V C 0.454 176.284 176.094 -0.440 0.000 1.048 252 V CA -0.475 61.555 62.300 -0.451 0.000 0.967 252 V CB 0.757 32.142 31.823 -0.730 0.000 0.988 252 V HN 0.717 nan 8.190 nan 0.000 0.473 253 R N 3.443 123.806 120.500 -0.228 0.000 2.409 253 R HA 0.699 5.039 4.340 0.000 0.000 0.313 253 R C -1.488 174.787 176.300 -0.041 0.000 0.953 253 R CA -0.472 55.540 56.100 -0.147 0.000 0.849 253 R CB 2.060 32.306 30.300 -0.091 0.000 1.171 253 R HN 0.541 nan 8.270 nan 0.000 0.458 254 V N 4.322 124.209 119.914 -0.045 0.000 2.540 254 V HA 0.384 4.505 4.120 0.000 0.000 0.302 254 V C -2.315 173.811 176.094 0.054 0.000 1.035 254 V CA -2.601 59.728 62.300 0.048 0.000 0.873 254 V CB 2.018 33.810 31.823 -0.051 0.000 0.992 254 V HN 0.613 nan 8.190 nan 0.000 0.428 255 P HA 0.210 nan 4.420 nan 0.000 0.266 255 P C -1.245 176.150 177.300 0.157 0.000 1.215 255 P CA 0.332 63.522 63.100 0.152 0.000 0.763 255 P CB -0.151 31.678 31.700 0.216 0.000 0.806 256 Y N 5.546 125.821 120.300 -0.041 0.000 2.287 256 Y HA 0.341 4.891 4.550 0.000 0.000 0.321 256 Y C -2.873 172.995 175.900 -0.053 0.000 1.173 256 Y CA -2.494 55.533 58.100 -0.122 0.000 1.124 256 Y CB 2.017 40.287 38.460 -0.316 0.000 1.201 256 Y HN 0.286 nan 8.280 nan 0.000 0.421 257 P HA 0.324 nan 4.420 nan 0.000 0.297 257 P C -1.225 176.132 177.300 0.096 0.000 1.331 257 P CA -0.321 62.827 63.100 0.079 0.000 0.803 257 P CB 1.647 33.368 31.700 0.035 0.000 0.929 258 K N 1.767 122.296 120.400 0.215 0.000 2.098 258 K HA 0.573 4.893 4.320 0.000 0.000 0.244 258 K C 0.379 177.077 176.600 0.162 0.000 1.014 258 K CA -0.844 55.586 56.287 0.238 0.000 0.917 258 K CB 0.512 33.177 32.500 0.274 0.000 1.072 258 K HN 0.437 nan 8.250 nan 0.000 0.477 259 A N 1.094 124.037 122.820 0.204 0.000 2.567 259 A HA 0.167 4.487 4.320 0.000 0.000 0.263 259 A C 1.226 178.852 177.584 0.069 0.000 1.030 259 A CA 1.278 53.423 52.037 0.179 0.000 0.833 259 A CB -1.684 17.488 19.000 0.287 0.000 0.924 259 A HN 0.924 nan 8.150 nan 0.000 0.518 260 G N 1.236 110.071 108.800 0.058 0.000 2.258 260 G HA2 0.125 4.085 3.960 0.000 0.000 0.233 260 G HA3 0.125 4.085 3.960 0.000 0.000 0.233 260 G C 0.803 175.722 174.900 0.033 0.000 1.006 260 G CA 0.653 45.766 45.100 0.021 0.000 0.620 260 G HN 2.288 nan 8.290 nan 0.000 0.511 261 A N 0.215 123.067 122.820 0.054 0.000 2.409 261 A HA 0.625 4.945 4.320 0.000 0.000 0.246 261 A C 1.254 178.868 177.584 0.049 0.000 1.099 261 A CA 0.651 52.721 52.037 0.055 0.000 0.789 261 A CB 0.226 19.273 19.000 0.078 0.000 1.053 261 A HN 2.014 nan 8.150 nan 0.000 0.503 262 V N 0.481 120.424 119.914 0.047 0.000 2.715 262 V HA 0.365 4.485 4.120 0.000 0.000 0.299 262 V C 0.040 176.169 176.094 0.058 0.000 1.054 262 V CA -0.673 61.652 62.300 0.042 0.000 1.077 262 V CB 0.560 32.405 31.823 0.037 0.000 0.972 262 V HN 0.763 nan 8.190 nan 0.000 0.484 263 N N 4.736 123.467 118.700 0.052 0.000 2.472 263 N HA 0.607 5.347 4.740 0.000 0.000 0.289 263 N C -2.683 172.893 175.510 0.109 0.000 1.156 263 N CA -1.688 51.411 53.050 0.081 0.000 0.940 263 N CB 1.362 39.888 38.487 0.065 0.000 1.200 263 N HN 0.657 nan 8.380 nan 0.000 0.511 264 P HA 0.056 nan 4.420 nan 0.000 0.268 264 P C -0.312 177.123 177.300 0.225 0.000 1.205 264 P CA -0.089 63.151 63.100 0.234 0.000 0.771 264 P CB 0.190 32.079 31.700 0.315 0.000 0.858 265 T N -0.598 114.064 114.554 0.180 0.000 2.934 265 T HA 0.588 4.938 4.350 0.000 0.000 0.283 265 T C -0.246 174.549 174.700 0.160 0.000 1.005 265 T CA -0.770 61.398 62.100 0.112 0.000 1.041 265 T CB 1.470 70.374 68.868 0.060 0.000 1.042 265 T HN 0.313 nan 8.240 nan 0.000 0.505 266 V N 0.592 120.578 119.914 0.120 0.000 3.007 266 V HA 0.771 4.891 4.120 0.000 0.000 0.311 266 V C -1.560 174.575 176.094 0.068 0.000 1.120 266 V CA -0.918 61.404 62.300 0.036 0.000 0.980 266 V CB 2.268 34.108 31.823 0.028 0.000 1.033 266 V HN 1.105 nan 8.190 nan 0.000 0.429 267 K N 3.892 124.259 120.400 -0.055 0.000 2.435 267 K HA 0.584 4.904 4.320 0.000 0.000 0.251 267 K C -1.877 174.557 176.600 -0.276 0.000 0.954 267 K CA -0.446 55.750 56.287 -0.151 0.000 0.820 267 K CB 2.819 35.163 32.500 -0.261 0.000 1.292 267 K HN 0.545 nan 8.250 nan 0.000 0.436 268 F N 2.016 121.628 119.950 -0.562 0.000 2.495 268 F HA 0.597 5.124 4.527 0.000 0.000 0.327 268 F C -1.437 173.801 175.800 -0.937 0.000 1.103 268 F CA -0.609 57.057 58.000 -0.556 0.000 0.949 268 F CB 0.869 39.702 39.000 -0.277 0.000 1.142 268 F HN 0.390 nan 8.300 nan 0.000 0.457 269 F N 3.912 123.181 119.950 -1.135 0.000 2.603 269 F HA 0.760 5.288 4.527 0.000 0.000 0.317 269 F C -0.958 174.285 175.800 -0.928 0.000 1.066 269 F CA -1.160 56.287 58.000 -0.921 0.000 0.941 269 F CB 2.059 40.366 39.000 -1.154 0.000 1.291 269 F HN 0.146 nan 8.300 nan 0.000 0.472 270 V N 2.051 121.832 119.914 -0.221 0.000 2.789 270 V HA 0.721 4.841 4.120 0.000 0.000 0.311 270 V C -1.293 174.957 176.094 0.261 0.000 1.073 270 V CA -0.915 61.358 62.300 -0.045 0.000 0.921 270 V CB 2.231 33.885 31.823 -0.283 0.000 1.009 270 V HN 0.585 nan 8.190 nan 0.000 0.426 271 V N 3.766 123.897 119.914 0.361 0.000 2.623 271 V HA 0.502 4.622 4.120 0.000 0.000 0.304 271 V C -0.539 175.795 176.094 0.400 0.000 1.054 271 V CA -0.581 61.932 62.300 0.354 0.000 0.882 271 V CB 1.973 33.934 31.823 0.230 0.000 1.002 271 V HN 0.963 nan 8.190 nan 0.000 0.424 272 N N 3.772 122.700 118.700 0.381 0.000 2.431 272 N HA 0.073 4.813 4.740 0.000 0.000 0.265 272 N C 1.123 176.623 175.510 -0.015 0.000 1.184 272 N CA 0.758 53.863 53.050 0.091 0.000 0.943 272 N CB 1.843 40.357 38.487 0.045 0.000 1.080 272 N HN 0.918 nan 8.380 nan 0.000 0.477 273 T N -0.369 114.150 114.554 -0.059 0.000 3.081 273 T HA 0.064 4.414 4.350 0.000 0.000 0.255 273 T C 0.597 175.246 174.700 -0.084 0.000 1.113 273 T CA 0.405 62.493 62.100 -0.020 0.000 1.082 273 T CB 0.217 69.189 68.868 0.173 0.000 0.939 273 T HN 0.311 nan 8.240 nan 0.000 0.506 274 D N 1.990 122.314 120.400 -0.126 0.000 2.349 274 D HA 0.068 4.708 4.640 0.000 0.000 0.215 274 D C 1.532 177.768 176.300 -0.108 0.000 1.016 274 D CA 0.664 54.592 54.000 -0.119 0.000 0.870 274 D CB 0.224 40.941 40.800 -0.138 0.000 0.917 274 D HN 0.652 nan 8.370 nan 0.000 0.524 275 S N -0.351 115.286 115.700 -0.106 0.000 2.663 275 S HA 0.180 4.650 4.470 0.000 0.000 0.243 275 S C 0.350 174.890 174.600 -0.100 0.000 1.009 275 S CA -0.578 57.580 58.200 -0.070 0.000 0.988 275 S CB 0.221 63.413 63.200 -0.014 0.000 0.896 275 S HN -0.133 nan 8.310 nan 0.000 0.502 276 L N 3.636 124.725 121.223 -0.223 0.000 2.477 276 L HA 0.344 4.684 4.340 0.000 0.000 0.272 276 L C 0.411 177.119 176.870 -0.269 0.000 1.157 276 L CA 0.498 55.124 54.840 -0.356 0.000 0.889 276 L CB 0.032 41.592 42.059 -0.832 0.000 1.158 276 L HN 0.266 nan 8.230 nan 0.000 0.473 277 S N 1.813 117.478 115.700 -0.058 0.000 2.610 277 S HA 0.327 4.797 4.470 0.000 0.000 0.273 277 S C 0.967 175.695 174.600 0.214 0.000 1.274 277 S CA -0.641 57.599 58.200 0.067 0.000 1.023 277 S CB 1.406 64.646 63.200 0.068 0.000 0.962 277 S HN 0.611 nan 8.310 nan 0.000 0.523 278 S N 0.508 116.340 115.700 0.220 0.000 2.539 278 S HA 0.071 4.542 4.470 0.000 0.000 0.221 278 S C 1.296 175.978 174.600 0.137 0.000 0.987 278 S CA -0.112 58.224 58.200 0.226 0.000 0.929 278 S CB 0.123 63.444 63.200 0.202 0.000 0.832 278 S HN 0.656 nan 8.310 nan 0.000 0.492 279 V N -0.815 119.164 119.914 0.109 0.000 3.556 279 V HA 0.400 4.520 4.120 0.000 0.000 0.287 279 V C 0.305 176.436 176.094 0.062 0.000 1.422 279 V CA 0.110 62.454 62.300 0.074 0.000 1.038 279 V CB -0.064 31.793 31.823 0.055 0.000 0.850 279 V HN 0.351 nan 8.190 nan 0.000 0.437 280 T N -1.033 113.568 114.554 0.078 0.000 2.916 280 T HA 0.496 4.846 4.350 0.000 0.000 0.305 280 T C -0.781 173.977 174.700 0.096 0.000 1.119 280 T CA -0.620 61.517 62.100 0.061 0.000 1.008 280 T CB 1.683 70.578 68.868 0.045 0.000 1.129 280 T HN 0.096 nan 8.240 nan 0.000 0.480 281 N N 1.291 120.040 118.700 0.081 0.000 2.407 281 N HA 0.392 5.132 4.740 0.000 0.000 0.250 281 N C 0.207 175.792 175.510 0.124 0.000 1.236 281 N CA -0.068 53.069 53.050 0.146 0.000 0.879 281 N CB 0.505 39.038 38.487 0.076 0.000 1.088 281 N HN 0.993 nan 8.380 nan 0.000 0.450 282 A N 1.996 124.902 122.820 0.144 0.000 2.450 282 A HA 0.258 4.578 4.320 0.000 0.000 0.255 282 A C 0.383 178.027 177.584 0.101 0.000 1.096 282 A CA -0.260 51.834 52.037 0.096 0.000 0.778 282 A CB -0.099 18.938 19.000 0.061 0.000 1.031 282 A HN 0.574 nan 8.150 nan 0.000 0.494 283 T N 2.392 117.007 114.554 0.102 0.000 2.919 283 T HA 0.380 4.730 4.350 0.000 0.000 0.302 283 T C 0.292 175.079 174.700 0.145 0.000 1.031 283 T CA 0.230 62.399 62.100 0.115 0.000 1.127 283 T CB 0.519 69.461 68.868 0.124 0.000 0.952 283 T HN 0.541 nan 8.240 nan 0.000 0.540 284 S N 2.196 117.980 115.700 0.139 0.000 2.707 284 S HA 0.387 4.857 4.470 0.000 0.000 0.312 284 S C -0.277 174.472 174.600 0.248 0.000 1.116 284 S CA -0.780 57.525 58.200 0.176 0.000 1.078 284 S CB 0.614 63.849 63.200 0.059 0.000 0.997 284 S HN 0.698 nan 8.310 nan 0.000 0.477 285 I N 3.497 124.244 120.570 0.295 0.000 2.471 285 I HA 0.206 4.376 4.170 0.000 0.000 0.286 285 I C 0.256 176.535 176.117 0.269 0.000 1.079 285 I CA 0.167 61.650 61.300 0.305 0.000 1.398 285 I CB 0.667 38.902 38.000 0.391 0.000 1.403 285 I HN 0.658 nan 8.210 nan 0.000 0.530 286 Q N 6.532 126.461 119.800 0.215 0.000 2.294 286 Q HA 0.366 4.706 4.340 0.000 0.000 0.257 286 Q C -1.077 174.898 176.000 -0.041 0.000 0.955 286 Q CA -0.692 55.080 55.803 -0.051 0.000 0.936 286 Q CB 0.754 29.433 28.738 -0.099 0.000 1.188 286 Q HN 0.711 nan 8.270 nan 0.000 0.420 287 I N 3.677 124.209 120.570 -0.063 0.000 2.322 287 I HA 0.058 4.228 4.170 0.000 0.000 0.292 287 I C 0.738 176.827 176.117 -0.047 0.000 1.060 287 I CA 0.300 61.602 61.300 0.003 0.000 1.309 287 I CB 1.258 39.280 38.000 0.036 0.000 1.415 287 I HN 0.517 nan 8.210 nan 0.000 0.492 288 T N 5.485 119.976 114.554 -0.106 0.000 2.898 288 T HA 0.574 4.924 4.350 0.000 0.000 0.301 288 T C 0.404 174.876 174.700 -0.380 0.000 1.049 288 T CA -0.658 61.315 62.100 -0.212 0.000 1.095 288 T CB 0.398 69.154 68.868 -0.186 0.000 0.976 288 T HN 0.693 nan 8.240 nan 0.000 0.539 289 A N 5.506 127.867 122.820 -0.765 0.000 2.407 289 A HA 0.551 4.871 4.320 0.000 0.000 0.248 289 A C -2.227 174.865 177.584 -0.820 0.000 1.082 289 A CA -1.295 49.870 52.037 -1.453 0.000 0.785 289 A CB -0.446 17.324 19.000 -2.051 0.000 1.020 289 A HN 0.706 nan 8.150 nan 0.000 0.489 290 P HA 0.179 nan 4.420 nan 0.000 0.269 290 P C 0.872 177.963 177.300 -0.348 0.000 1.215 290 P CA 0.604 63.467 63.100 -0.394 0.000 0.780 290 P CB 0.614 32.149 31.700 -0.275 0.000 0.898 291 A N 2.323 125.006 122.820 -0.229 0.000 1.948 291 A HA -0.246 4.074 4.320 0.000 0.000 0.220 291 A C 2.213 179.693 177.584 -0.173 0.000 1.177 291 A CA 2.587 54.514 52.037 -0.184 0.000 0.636 291 A CB -1.942 16.983 19.000 -0.125 0.000 0.815 291 A HN 0.648 nan 8.150 nan 0.000 0.449 292 S N -0.919 114.699 115.700 -0.136 0.000 2.402 292 S HA -0.213 4.257 4.470 0.000 0.000 0.233 292 S C 1.889 176.420 174.600 -0.115 0.000 1.030 292 S CA 1.892 60.041 58.200 -0.086 0.000 1.003 292 S CB -0.443 62.780 63.200 0.038 0.000 0.813 292 S HN 0.444 nan 8.310 nan 0.000 0.477 293 M N 1.072 120.535 119.600 -0.229 0.000 2.299 293 M HA 0.282 4.762 4.480 0.000 0.000 0.264 293 M C 2.293 178.294 176.300 -0.498 0.000 1.095 293 M CA 0.851 55.931 55.300 -0.367 0.000 1.165 293 M CB -1.288 30.959 32.600 -0.587 0.000 1.349 293 M HN 0.320 nan 8.290 nan 0.000 0.446 294 L N 1.077 122.002 121.223 -0.497 0.000 2.261 294 L HA -0.190 4.150 4.340 0.000 0.000 0.216 294 L C 2.421 179.229 176.870 -0.102 0.000 1.114 294 L CA 0.756 55.417 54.840 -0.298 0.000 0.777 294 L CB -1.064 40.844 42.059 -0.252 0.000 0.910 294 L HN 0.359 nan 8.230 nan 0.000 0.440 295 I N -2.234 118.274 120.570 -0.103 0.000 2.423 295 I HA -0.003 4.167 4.170 0.000 0.000 0.254 295 I C 1.136 177.246 176.117 -0.012 0.000 1.151 295 I CA 1.137 62.403 61.300 -0.057 0.000 1.421 295 I CB -0.516 37.440 38.000 -0.073 0.000 1.079 295 I HN 0.110 nan 8.210 nan 0.000 0.431 296 G N 0.619 109.440 108.800 0.034 0.000 2.827 296 G HA2 0.367 4.327 3.960 0.000 0.000 0.296 296 G HA3 0.367 4.327 3.960 0.000 0.000 0.296 296 G C -1.638 173.352 174.900 0.149 0.000 1.362 296 G CA -0.475 44.660 45.100 0.058 0.000 0.809 296 G HN 0.237 nan 8.290 nan 0.000 0.522 297 D N 0.315 120.717 120.400 0.004 0.000 2.357 297 D HA 0.414 5.054 4.640 0.000 0.000 0.242 297 D C 0.111 176.310 176.300 -0.167 0.000 1.153 297 D CA 0.381 54.274 54.000 -0.179 0.000 0.918 297 D CB 0.754 41.395 40.800 -0.265 0.000 1.181 297 D HN 0.699 nan 8.370 nan 0.000 0.435 298 H N -2.806 116.067 119.070 -0.329 0.000 2.935 298 H HA 0.327 4.884 4.556 0.000 0.000 0.297 298 H C -1.739 173.405 175.328 -0.308 0.000 1.423 298 H CA -0.888 54.992 56.048 -0.281 0.000 1.161 298 H CB 0.037 29.795 29.762 -0.008 0.000 1.841 298 H HN 0.402 nan 8.280 nan 0.000 0.506 299 Y N 0.452 121.019 120.300 0.446 0.000 2.477 299 Y HA 0.385 4.935 4.550 0.000 0.000 0.347 299 Y C -0.154 176.043 175.900 0.495 0.000 0.981 299 Y CA -1.148 57.221 58.100 0.447 0.000 1.033 299 Y CB 1.992 40.580 38.460 0.213 0.000 1.245 299 Y HN 0.498 nan 8.280 nan 0.000 0.455 300 L N 3.611 125.175 121.223 0.569 0.000 2.361 300 L HA 0.297 4.637 4.340 0.000 0.000 0.278 300 L C 0.511 177.607 176.870 0.377 0.000 1.113 300 L CA 0.045 54.895 54.840 0.018 0.000 0.849 300 L CB 0.196 42.092 42.059 -0.272 0.000 1.155 300 L HN 1.031 nan 8.230 nan 0.000 0.452 301 C N 1.286 120.669 119.300 0.137 0.000 3.545 301 C HA 0.485 4.945 4.460 0.000 0.000 0.368 301 C C 0.281 175.287 174.990 0.028 0.000 1.400 301 C CA -0.395 58.773 59.018 0.250 0.000 1.848 301 C CB -0.379 27.453 27.740 0.153 0.000 2.576 301 C HN 0.832 nan 8.230 nan 0.000 0.683 302 D N 0.436 120.696 120.400 -0.233 0.000 2.859 302 D HA 0.524 5.164 4.640 0.000 0.000 0.223 302 D C -1.761 174.160 176.300 -0.632 0.000 1.218 302 D CA 0.095 53.869 54.000 -0.377 0.000 0.850 302 D CB 3.007 43.649 40.800 -0.264 0.000 1.656 302 D HN 0.078 nan 8.370 nan 0.000 0.484 303 V N 2.438 121.899 119.914 -0.754 0.000 2.525 303 V HA 0.489 4.609 4.120 0.000 0.000 0.299 303 V C -0.463 175.225 176.094 -0.678 0.000 1.034 303 V CA -0.400 61.293 62.300 -1.011 0.000 0.863 303 V CB 1.914 32.620 31.823 -1.862 0.000 0.999 303 V HN 0.617 nan 8.190 nan 0.000 0.423 304 T N 3.517 117.756 114.554 -0.525 0.000 2.937 304 T HA 0.370 4.720 4.350 0.000 0.000 0.297 304 T C -0.897 173.638 174.700 -0.276 0.000 0.991 304 T CA -0.465 61.490 62.100 -0.242 0.000 0.990 304 T CB 0.947 69.767 68.868 -0.081 0.000 0.991 304 T HN 0.521 nan 8.240 nan 0.000 0.440 305 W N 2.128 123.355 121.300 -0.122 0.000 2.253 305 W HA 0.482 5.142 4.660 0.000 0.000 0.322 305 W C 1.088 177.473 176.519 -0.224 0.000 1.342 305 W CA -0.318 56.954 57.345 -0.122 0.000 1.218 305 W CB 0.619 30.098 29.460 0.032 0.000 1.205 305 W HN 0.871 nan 8.180 nan 0.000 0.551 306 A N 2.062 124.762 122.820 -0.199 0.000 1.944 306 A HA 0.186 4.506 4.320 0.000 0.000 0.207 306 A C 0.962 178.497 177.584 -0.082 0.000 1.265 306 A CA 1.460 53.150 52.037 -0.578 0.000 0.712 306 A CB -0.404 17.798 19.000 -1.329 0.000 0.915 306 A HN 0.516 nan 8.150 nan 0.000 0.470 307 T N -5.168 109.434 114.554 0.080 0.000 2.645 307 T HA 0.351 4.701 4.350 0.000 0.000 0.273 307 T C 0.361 175.239 174.700 0.296 0.000 0.960 307 T CA -0.316 61.886 62.100 0.171 0.000 1.051 307 T CB 0.620 69.574 68.868 0.142 0.000 1.366 307 T HN 0.014 nan 8.240 nan 0.000 0.536 308 Q N 0.340 120.281 119.800 0.234 0.000 2.224 308 Q HA 0.022 4.362 4.340 0.000 0.000 0.203 308 Q C 1.128 177.403 176.000 0.458 0.000 0.970 308 Q CA 1.460 57.410 55.803 0.246 0.000 0.865 308 Q CB -0.056 28.788 28.738 0.178 0.000 0.922 308 Q HN 0.799 nan 8.270 nan 0.000 0.445 309 E N -0.130 120.326 120.200 0.427 0.000 2.676 309 E HA 0.162 4.512 4.350 0.000 0.000 0.222 309 E C -0.022 176.838 176.600 0.434 0.000 0.968 309 E CA -0.200 56.441 56.400 0.402 0.000 1.090 309 E CB 1.037 30.877 29.700 0.233 0.000 1.066 309 E HN -0.003 nan 8.360 nan 0.000 0.496 310 R N 1.629 122.364 120.500 0.392 0.000 2.480 310 R HA 0.563 4.903 4.340 0.000 0.000 0.306 310 R C -1.435 174.840 176.300 -0.041 0.000 0.958 310 R CA -0.367 55.839 56.100 0.176 0.000 0.861 310 R CB 1.207 31.521 30.300 0.024 0.000 1.171 310 R HN 0.005 nan 8.270 nan 0.000 0.445 311 I N 2.782 123.187 120.570 -0.274 0.000 2.647 311 I HA 0.393 4.563 4.170 0.000 0.000 0.295 311 I C -1.006 174.791 176.117 -0.534 0.000 1.078 311 I CA -0.524 60.371 61.300 -0.675 0.000 1.048 311 I CB 2.343 39.549 38.000 -1.323 0.000 1.239 311 I HN 0.842 nan 8.210 nan 0.000 0.421 312 S N 7.087 122.453 115.700 -0.556 0.000 2.472 312 S HA 0.791 5.261 4.470 0.000 0.000 0.303 312 S C -1.113 173.144 174.600 -0.572 0.000 1.099 312 S CA -0.673 57.272 58.200 -0.424 0.000 1.077 312 S CB 1.839 64.905 63.200 -0.223 0.000 1.031 312 S HN 0.419 nan 8.310 nan 0.000 0.487 313 L N 2.260 123.169 121.223 -0.524 0.000 2.404 313 L HA 0.513 4.853 4.340 0.000 0.000 0.272 313 L C -0.286 176.267 176.870 -0.527 0.000 0.980 313 L CA -0.111 54.306 54.840 -0.707 0.000 0.836 313 L CB 1.978 43.555 42.059 -0.803 0.000 1.238 313 L HN 0.884 nan 8.230 nan 0.000 0.408 314 Q N 1.865 121.329 119.800 -0.559 0.000 2.241 314 Q HA 0.507 4.847 4.340 0.000 0.000 0.254 314 Q C -1.699 174.054 176.000 -0.412 0.000 0.917 314 Q CA -0.368 55.231 55.803 -0.339 0.000 0.919 314 Q CB 1.233 29.833 28.738 -0.231 0.000 1.237 314 Q HN 0.548 nan 8.270 nan 0.000 0.434 315 W N 3.586 124.846 121.300 -0.067 0.000 2.736 315 W HA 0.585 5.245 4.660 0.000 0.000 0.335 315 W C -1.056 175.508 176.519 0.075 0.000 1.059 315 W CA -0.581 56.774 57.345 0.016 0.000 1.226 315 W CB 1.313 30.747 29.460 -0.042 0.000 1.416 315 W HN 0.373 nan 8.180 nan 0.000 0.505 316 L N 3.929 125.403 121.223 0.419 0.000 2.406 316 L HA 0.521 4.861 4.340 0.000 0.000 0.272 316 L C 0.242 177.354 176.870 0.404 0.000 0.980 316 L CA -0.986 54.070 54.840 0.360 0.000 0.831 316 L CB 1.211 43.475 42.059 0.342 0.000 1.253 316 L HN 0.482 nan 8.230 nan 0.000 0.406 317 R N 2.231 122.924 120.500 0.322 0.000 2.784 317 R HA 0.035 4.375 4.340 0.000 0.000 0.266 317 R C 0.998 177.421 176.300 0.206 0.000 1.044 317 R CA 0.030 56.273 56.100 0.239 0.000 1.151 317 R CB 0.753 31.183 30.300 0.218 0.000 1.037 317 R HN 0.637 nan 8.270 nan 0.000 0.478 318 R N 1.558 122.084 120.500 0.042 0.000 2.096 318 R HA -0.038 4.302 4.340 0.000 0.000 0.235 318 R C 0.355 176.750 176.300 0.159 0.000 1.127 318 R CA 1.105 57.227 56.100 0.037 0.000 0.968 318 R CB 0.034 30.262 30.300 -0.120 0.000 0.861 318 R HN 0.469 nan 8.270 nan 0.000 0.440 319 I N 2.170 122.806 120.570 0.111 0.000 2.363 319 I HA -0.000 4.170 4.170 0.000 0.000 0.292 319 I C 0.329 176.532 176.117 0.144 0.000 1.075 319 I CA 0.318 61.680 61.300 0.105 0.000 1.333 319 I CB 1.500 39.544 38.000 0.073 0.000 1.415 319 I HN 0.164 nan 8.210 nan 0.000 0.502 320 Q N 4.735 124.612 119.800 0.129 0.000 2.297 320 Q HA 0.027 4.367 4.340 0.000 0.000 0.265 320 Q C 0.593 176.693 176.000 0.166 0.000 0.904 320 Q CA -0.113 55.780 55.803 0.151 0.000 0.969 320 Q CB -0.253 28.529 28.738 0.073 0.000 1.115 320 Q HN 0.676 nan 8.270 nan 0.000 0.433 321 N N -0.863 117.942 118.700 0.174 0.000 2.236 321 N HA -0.063 4.677 4.740 0.000 0.000 0.196 321 N C -0.824 174.818 175.510 0.220 0.000 1.114 321 N CA -0.024 53.129 53.050 0.172 0.000 0.859 321 N CB 0.324 38.895 38.487 0.141 0.000 0.982 321 N HN 0.179 nan 8.380 nan 0.000 0.493 322 Y N 1.129 121.480 120.300 0.084 0.000 2.354 322 Y HA 0.531 5.081 4.550 0.000 0.000 0.330 322 Y C -0.986 174.970 175.900 0.093 0.000 1.011 322 Y CA -1.082 57.062 58.100 0.075 0.000 1.099 322 Y CB 1.487 39.981 38.460 0.058 0.000 1.179 322 Y HN 0.146 nan 8.280 nan 0.000 0.442 323 S N 4.178 119.745 115.700 -0.222 0.000 2.568 323 S HA 0.900 5.370 4.470 0.000 0.000 0.293 323 S C -1.831 172.629 174.600 -0.234 0.000 1.089 323 S CA -0.736 57.404 58.200 -0.100 0.000 0.945 323 S CB 1.939 65.129 63.200 -0.017 0.000 1.077 323 S HN 0.412 nan 8.310 nan 0.000 0.485 324 V N 3.421 123.312 119.914 -0.039 0.000 2.483 324 V HA 0.463 4.583 4.120 0.000 0.000 0.297 324 V C -0.359 175.756 176.094 0.035 0.000 1.027 324 V CA -0.591 61.694 62.300 -0.026 0.000 0.855 324 V CB 1.641 33.484 31.823 0.034 0.000 0.995 324 V HN 1.032 nan 8.190 nan 0.000 0.424 325 M N 5.330 124.910 119.600 -0.033 0.000 2.233 325 M HA 0.514 4.995 4.480 0.000 0.000 0.355 325 M C -1.203 175.079 176.300 -0.031 0.000 1.191 325 M CA -0.203 55.062 55.300 -0.060 0.000 1.101 325 M CB 1.298 33.811 32.600 -0.145 0.000 1.592 325 M HN 0.908 nan 8.290 nan 0.000 0.461 326 D N 4.256 124.636 120.400 -0.034 0.000 2.601 326 D HA 0.472 5.112 4.640 0.000 0.000 0.230 326 D C -1.378 174.869 176.300 -0.089 0.000 1.106 326 D CA -0.501 53.468 54.000 -0.051 0.000 0.873 326 D CB 1.340 42.116 40.800 -0.041 0.000 1.515 326 D HN 0.439 nan 8.370 nan 0.000 0.468 327 I N 0.549 121.085 120.570 -0.056 0.000 2.359 327 I HA 0.324 4.494 4.170 0.000 0.000 0.294 327 I C -0.499 175.597 176.117 -0.035 0.000 0.987 327 I CA -0.322 60.945 61.300 -0.055 0.000 1.225 327 I CB 1.416 39.437 38.000 0.034 0.000 1.366 327 I HN 0.447 nan 8.210 nan 0.000 0.466 328 c N 4.687 123.263 118.600 -0.041 0.000 2.322 328 c HA 0.415 4.985 4.570 0.000 0.000 0.324 328 c C -0.241 173.992 174.090 0.238 0.000 1.249 328 c CA -1.115 55.269 56.329 0.091 0.000 1.453 328 c CB 0.191 42.759 42.510 0.096 0.000 2.145 328 c HN 0.617 nan 8.230 nan 0.000 0.466 329 D N 0.943 121.440 120.400 0.160 0.000 2.255 329 D HA 0.133 4.773 4.640 0.000 0.000 0.249 329 D C -0.572 175.676 176.300 -0.087 0.000 1.078 329 D CA 0.066 54.123 54.000 0.094 0.000 0.896 329 D CB 1.274 42.084 40.800 0.017 0.000 1.194 329 D HN 0.651 nan 8.370 nan 0.000 0.429 330 Y N 1.412 121.362 120.300 -0.582 0.000 2.335 330 Y HA 0.113 4.663 4.550 0.000 0.000 0.331 330 Y C -0.229 175.358 175.900 -0.523 0.000 1.094 330 Y CA -0.371 57.033 58.100 -1.161 0.000 1.253 330 Y CB 0.773 38.337 38.460 -1.493 0.000 1.203 330 Y HN 0.221 nan 8.280 nan 0.000 0.508 331 D N 4.628 124.441 120.400 -0.978 0.000 2.317 331 D HA 0.152 4.792 4.640 0.000 0.000 0.234 331 D C 0.521 176.306 176.300 -0.859 0.000 1.112 331 D CA -0.129 53.475 54.000 -0.659 0.000 0.840 331 D CB 1.045 41.597 40.800 -0.413 0.000 1.078 331 D HN 0.756 nan 8.370 nan 0.000 0.486 332 E N 1.104 121.024 120.200 -0.466 0.000 2.110 332 E HA -0.129 4.221 4.350 0.000 0.000 0.193 332 E C 1.502 177.997 176.600 -0.175 0.000 0.988 332 E CA 0.773 57.034 56.400 -0.233 0.000 0.804 332 E CB 0.223 29.921 29.700 -0.003 0.000 0.745 332 E HN 0.391 nan 8.360 nan 0.000 0.458 333 S N 0.141 115.742 115.700 -0.164 0.000 2.402 333 S HA -0.065 4.405 4.470 0.000 0.000 0.229 333 S C 1.928 176.460 174.600 -0.113 0.000 1.021 333 S CA 0.951 59.088 58.200 -0.106 0.000 0.974 333 S CB 0.102 63.251 63.200 -0.085 0.000 0.800 333 S HN 0.120 nan 8.310 nan 0.000 0.484 334 S N -0.516 115.076 115.700 -0.180 0.000 2.497 334 S HA 0.374 4.844 4.470 0.000 0.000 0.218 334 S C 1.477 175.989 174.600 -0.145 0.000 1.023 334 S CA 0.402 58.514 58.200 -0.146 0.000 0.913 334 S CB 0.471 63.580 63.200 -0.153 0.000 0.800 334 S HN 0.650 nan 8.310 nan 0.000 0.505 335 G N 2.288 110.927 108.800 -0.269 0.000 2.160 335 G HA2 -0.236 3.724 3.960 0.000 0.000 0.251 335 G HA3 -0.236 3.724 3.960 0.000 0.000 0.251 335 G C 0.100 174.884 174.900 -0.194 0.000 1.008 335 G CA 0.116 45.107 45.100 -0.183 0.000 0.724 335 G HN 0.317 nan 8.290 nan 0.000 0.514 336 R N -1.936 118.305 120.500 -0.432 0.000 3.006 336 R HA 0.682 5.023 4.340 0.000 0.000 0.235 336 R C -0.978 175.032 176.300 -0.484 0.000 1.362 336 R CA -0.867 55.096 56.100 -0.228 0.000 1.067 336 R CB 0.802 31.045 30.300 -0.095 0.000 1.396 336 R HN 0.158 nan 8.270 nan 0.000 0.504 337 W N 0.875 122.151 121.300 -0.040 0.000 2.411 337 W HA 0.384 5.044 4.660 0.000 0.000 0.317 337 W C -0.481 176.004 176.519 -0.057 0.000 1.030 337 W CA -0.516 56.809 57.345 -0.034 0.000 1.239 337 W CB 1.111 30.570 29.460 -0.003 0.000 1.304 337 W HN 0.157 nan 8.180 nan 0.000 0.437 338 N N 3.139 121.891 118.700 0.085 0.000 2.476 338 N HA 0.419 5.159 4.740 0.000 0.000 0.257 338 N C -1.281 174.256 175.510 0.044 0.000 0.970 338 N CA -0.436 52.631 53.050 0.029 0.000 0.938 338 N CB 1.073 39.536 38.487 -0.039 0.000 1.144 338 N HN 0.197 nan 8.380 nan 0.000 0.500 339 c N 2.846 121.460 118.600 0.024 0.000 2.319 339 c HA 0.551 5.121 4.570 0.000 0.000 0.323 339 c C 0.741 174.816 174.090 -0.026 0.000 1.277 339 c CA -1.254 55.074 56.329 -0.002 0.000 1.517 339 c CB -0.641 41.858 42.510 -0.018 0.000 2.206 339 c HN 0.507 nan 8.230 nan 0.000 0.486 340 L N 2.394 123.600 121.223 -0.029 0.000 2.421 340 L HA 0.333 4.673 4.340 0.000 0.000 0.263 340 L C 1.311 178.147 176.870 -0.057 0.000 1.122 340 L CA -0.492 54.324 54.840 -0.039 0.000 0.804 340 L CB 0.495 42.535 42.059 -0.032 0.000 1.150 340 L HN 0.554 nan 8.230 nan 0.000 0.457 341 V N 0.833 120.712 119.914 -0.058 0.000 2.667 341 V HA -0.188 3.932 4.120 0.000 0.000 0.252 341 V C 2.221 178.267 176.094 -0.081 0.000 1.065 341 V CA 1.812 64.072 62.300 -0.067 0.000 1.083 341 V CB -0.676 31.114 31.823 -0.055 0.000 0.692 341 V HN 0.971 nan 8.190 nan 0.000 0.468 342 A N 0.030 122.807 122.820 -0.071 0.000 2.168 342 A HA -0.053 4.267 4.320 0.000 0.000 0.215 342 A C 1.960 179.473 177.584 -0.117 0.000 1.152 342 A CA 0.715 52.705 52.037 -0.078 0.000 0.716 342 A CB -0.218 18.754 19.000 -0.046 0.000 0.794 342 A HN 0.455 nan 8.150 nan 0.000 0.465 343 R N 0.284 120.716 120.500 -0.115 0.000 2.466 343 R HA 0.176 4.516 4.340 0.000 0.000 0.279 343 R C -0.428 175.730 176.300 -0.237 0.000 0.976 343 R CA 0.052 56.076 56.100 -0.128 0.000 1.081 343 R CB -0.000 30.282 30.300 -0.030 0.000 1.215 343 R HN 0.608 nan 8.270 nan 0.000 0.546 344 Q N 0.564 120.185 119.800 -0.299 0.000 2.256 344 Q HA 0.288 4.628 4.340 0.000 0.000 0.257 344 Q C -0.909 174.818 176.000 -0.455 0.000 0.936 344 Q CA -0.314 55.326 55.803 -0.271 0.000 0.903 344 Q CB 1.677 30.332 28.738 -0.139 0.000 1.263 344 Q HN 0.251 nan 8.270 nan 0.000 0.440 345 H N 0.870 119.913 119.070 -0.046 0.000 2.589 345 H HA 0.419 4.975 4.556 0.000 0.000 0.351 345 H C -0.933 174.334 175.328 -0.101 0.000 1.074 345 H CA -0.646 55.368 56.048 -0.056 0.000 1.203 345 H CB 1.244 30.929 29.762 -0.128 0.000 1.558 345 H HN 0.405 nan 8.280 nan 0.000 0.522 346 I N 1.684 122.266 120.570 0.020 0.000 2.488 346 I HA 0.198 4.368 4.170 0.000 0.000 0.299 346 I C 0.000 176.062 176.117 -0.093 0.000 0.984 346 I CA -0.124 61.101 61.300 -0.125 0.000 1.250 346 I CB 1.390 39.292 38.000 -0.163 0.000 1.389 346 I HN 0.619 nan 8.210 nan 0.000 0.488 347 E N 7.021 127.110 120.200 -0.185 0.000 2.283 347 E HA 0.537 4.887 4.350 0.000 0.000 0.258 347 E C -1.330 175.191 176.600 -0.133 0.000 0.893 347 E CA -0.618 55.727 56.400 -0.093 0.000 0.798 347 E CB 1.168 30.838 29.700 -0.050 0.000 1.242 347 E HN 0.631 nan 8.360 nan 0.000 0.414 348 M N 1.657 121.223 119.600 -0.056 0.000 2.658 348 M HA 0.650 5.130 4.480 0.000 0.000 0.295 348 M C -1.494 174.833 176.300 0.044 0.000 1.248 348 M CA -0.709 54.597 55.300 0.010 0.000 0.843 348 M CB 2.398 35.052 32.600 0.090 0.000 1.749 348 M HN 0.293 nan 8.290 nan 0.000 0.464 349 S N -0.308 115.433 115.700 0.068 0.000 2.536 349 S HA 0.618 5.088 4.470 0.000 0.000 0.287 349 S C 0.318 174.955 174.600 0.062 0.000 1.101 349 S CA -0.009 58.219 58.200 0.048 0.000 0.950 349 S CB 1.854 65.076 63.200 0.037 0.000 1.056 349 S HN 0.882 nan 8.310 nan 0.000 0.481 350 T N -0.444 114.136 114.554 0.045 0.000 3.015 350 T HA 0.050 4.400 4.350 0.000 0.000 0.250 350 T C 1.557 176.284 174.700 0.046 0.000 1.057 350 T CA 0.884 63.011 62.100 0.046 0.000 1.066 350 T CB -0.494 68.394 68.868 0.034 0.000 0.959 350 T HN 0.668 nan 8.240 nan 0.000 0.488 351 T N -1.588 112.998 114.554 0.054 0.000 3.065 351 T HA 0.593 4.943 4.350 0.000 0.000 0.252 351 T C 1.182 175.950 174.700 0.114 0.000 1.099 351 T CA 0.403 62.552 62.100 0.082 0.000 1.063 351 T CB 0.303 69.198 68.868 0.045 0.000 0.948 351 T HN 0.626 nan 8.240 nan 0.000 0.506 352 G N 0.469 109.294 108.800 0.041 0.000 2.704 352 G HA2 0.464 4.424 3.960 0.000 0.000 0.118 352 G HA3 0.464 4.424 3.960 0.000 0.000 0.118 352 G C -1.644 173.182 174.900 -0.123 0.000 1.197 352 G CA -0.491 44.441 45.100 -0.280 0.000 1.152 352 G HN 0.503 nan 8.290 nan 0.000 0.571 353 W N -0.199 120.919 121.300 -0.303 0.000 2.481 353 W HA 0.771 5.431 4.660 0.000 0.000 0.369 353 W C -0.183 176.328 176.519 -0.015 0.000 1.235 353 W CA -1.304 55.952 57.345 -0.149 0.000 1.344 353 W CB 1.118 30.428 29.460 -0.250 0.000 1.360 353 W HN 0.546 nan 8.180 nan 0.000 0.658 354 V N 3.259 123.289 119.914 0.192 0.000 2.350 354 V HA 0.794 4.914 4.120 0.000 0.000 0.276 354 V C 0.264 176.454 176.094 0.160 0.000 1.028 354 V CA 0.598 62.962 62.300 0.106 0.000 0.860 354 V CB 0.013 31.884 31.823 0.080 0.000 0.990 354 V HN 1.754 nan 8.190 nan 0.000 0.453 355 G N 6.331 115.179 108.800 0.081 0.000 2.655 355 G HA2 -0.157 3.803 3.960 0.000 0.000 0.680 355 G HA3 -0.157 3.803 3.960 0.000 0.000 0.680 355 G C 0.105 175.081 174.900 0.126 0.000 1.302 355 G CA 0.050 45.213 45.100 0.105 0.000 0.872 355 G HN 0.828 nan 8.290 nan 0.000 0.540 356 R N -0.918 119.620 120.500 0.064 0.000 2.052 356 R HA 0.210 4.550 4.340 0.000 0.000 0.226 356 R C 2.118 178.287 176.300 -0.218 0.000 1.145 356 R CA 2.165 58.194 56.100 -0.118 0.000 0.952 356 R CB -0.127 30.018 30.300 -0.257 0.000 0.847 356 R HN 0.453 nan 8.270 nan 0.000 0.431 357 F N -0.624 119.485 119.950 0.265 0.000 2.577 357 F HA 0.248 4.775 4.527 0.000 0.000 0.276 357 F C 0.892 176.755 175.800 0.106 0.000 1.032 357 F CA -0.435 57.672 58.000 0.178 0.000 1.297 357 F CB 0.341 39.443 39.000 0.170 0.000 1.061 357 F HN -0.128 nan 8.300 nan 0.000 0.680 358 R N 0.302 120.980 120.500 0.297 0.000 2.836 358 R HA 0.590 4.930 4.340 0.000 0.000 0.269 358 R C -3.240 173.152 176.300 0.153 0.000 1.010 358 R CA -1.935 54.273 56.100 0.180 0.000 0.930 358 R CB 0.832 31.222 30.300 0.149 0.000 1.218 358 R HN -0.276 nan 8.270 nan 0.000 0.473 359 P HA 0.016 nan 4.420 nan 0.000 0.269 359 P C -0.453 176.883 177.300 0.060 0.000 1.215 359 P CA -0.152 62.990 63.100 0.070 0.000 0.780 359 P CB 0.799 32.518 31.700 0.031 0.000 0.898 360 S N 1.251 116.986 115.700 0.058 0.000 2.572 360 S HA 0.073 4.543 4.470 0.000 0.000 0.279 360 S C 0.174 174.789 174.600 0.025 0.000 1.341 360 S CA -0.550 57.695 58.200 0.075 0.000 1.043 360 S CB -0.072 63.188 63.200 0.101 0.000 0.887 360 S HN 0.458 nan 8.310 nan 0.000 0.516 361 E N 4.523 124.753 120.200 0.049 0.000 2.313 361 E HA 0.399 4.749 4.350 0.000 0.000 0.272 361 E C -2.784 173.815 176.600 -0.002 0.000 1.038 361 E CA -1.981 54.406 56.400 -0.022 0.000 0.863 361 E CB 0.666 30.349 29.700 -0.028 0.000 1.060 361 E HN 0.281 nan 8.360 nan 0.000 0.402 362 P HA 0.287 nan 4.420 nan 0.000 0.282 362 P C -0.809 176.403 177.300 -0.147 0.000 1.259 362 P CA -0.429 62.575 63.100 -0.160 0.000 0.826 362 P CB 0.884 32.177 31.700 -0.679 0.000 1.064 363 H N 1.166 120.255 119.070 0.032 0.000 2.887 363 H HA 0.290 4.846 4.556 0.000 0.000 0.300 363 H C -0.608 174.847 175.328 0.211 0.000 1.038 363 H CA -0.305 55.851 56.048 0.180 0.000 1.352 363 H CB 0.276 30.172 29.762 0.223 0.000 1.473 363 H HN 0.290 nan 8.280 nan 0.000 0.503 364 F N 2.317 122.455 119.950 0.314 0.000 2.427 364 F HA 0.053 4.581 4.527 0.000 0.000 0.352 364 F C 1.451 177.432 175.800 0.301 0.000 1.100 364 F CA -0.513 57.670 58.000 0.304 0.000 1.191 364 F CB 0.910 40.032 39.000 0.204 0.000 1.128 364 F HN 0.343 nan 8.300 nan 0.000 0.533 365 T N 2.109 116.941 114.554 0.464 0.000 2.903 365 T HA -0.001 4.349 4.350 0.000 0.000 0.314 365 T C 1.451 176.339 174.700 0.314 0.000 1.078 365 T CA -0.893 61.428 62.100 0.368 0.000 1.114 365 T CB 0.801 69.869 68.868 0.334 0.000 0.987 365 T HN 0.555 nan 8.240 nan 0.000 0.548 366 L N 1.651 123.017 121.223 0.238 0.000 2.051 366 L HA -0.175 4.165 4.340 0.000 0.000 0.214 366 L C 2.541 179.518 176.870 0.178 0.000 1.076 366 L CA 2.646 57.602 54.840 0.192 0.000 0.758 366 L CB -1.281 40.866 42.059 0.148 0.000 0.890 366 L HN 0.980 nan 8.230 nan 0.000 0.433 367 D N -1.049 119.455 120.400 0.174 0.000 2.149 367 D HA -0.171 4.469 4.640 0.000 0.000 0.198 367 D C 1.539 177.941 176.300 0.170 0.000 0.990 367 D CA 1.359 55.451 54.000 0.154 0.000 0.839 367 D CB -0.342 40.541 40.800 0.139 0.000 0.948 367 D HN 0.435 nan 8.370 nan 0.000 0.460 368 G N 0.685 109.626 108.800 0.234 0.000 2.131 368 G HA2 -0.233 3.727 3.960 0.000 0.000 0.223 368 G HA3 -0.233 3.727 3.960 0.000 0.000 0.223 368 G C 0.516 175.594 174.900 0.297 0.000 0.990 368 G CA 0.239 45.496 45.100 0.262 0.000 0.671 368 G HN 0.359 nan 8.290 nan 0.000 0.521 369 N N 0.287 119.143 118.700 0.260 0.000 2.230 369 N HA 0.286 5.026 4.740 0.000 0.000 0.202 369 N C 0.574 176.194 175.510 0.183 0.000 1.119 369 N CA 0.925 54.102 53.050 0.210 0.000 0.851 369 N CB 0.857 39.426 38.487 0.137 0.000 0.990 369 N HN 1.020 nan 8.380 nan 0.000 0.497 370 S N -0.256 115.583 115.700 0.231 0.000 2.565 370 S HA 0.739 5.209 4.470 0.000 0.000 0.269 370 S C -1.087 173.535 174.600 0.036 0.000 1.153 370 S CA -0.986 57.203 58.200 -0.018 0.000 0.835 370 S CB 1.311 64.410 63.200 -0.167 0.000 1.122 370 S HN 0.107 nan 8.310 nan 0.000 0.462 371 F N -1.276 118.431 119.950 -0.405 0.000 2.645 371 F HA 0.840 5.367 4.527 0.000 0.000 0.310 371 F C -2.043 173.510 175.800 -0.411 0.000 1.102 371 F CA -1.511 56.179 58.000 -0.517 0.000 0.952 371 F CB 0.717 38.997 39.000 -1.199 0.000 1.326 371 F HN 0.599 nan 8.300 nan 0.000 0.456 372 Y N 1.156 121.546 120.300 0.150 0.000 2.352 372 Y HA 0.645 5.195 4.550 0.000 0.000 0.339 372 Y C -0.317 175.725 175.900 0.236 0.000 0.992 372 Y CA -0.744 57.446 58.100 0.150 0.000 1.100 372 Y CB 2.154 40.682 38.460 0.113 0.000 1.192 372 Y HN 0.682 nan 8.280 nan 0.000 0.458 373 K N 3.470 124.084 120.400 0.357 0.000 2.581 373 K HA 0.503 4.823 4.320 0.000 0.000 0.249 373 K C -1.574 175.171 176.600 0.241 0.000 0.966 373 K CA -0.445 56.024 56.287 0.304 0.000 0.811 373 K CB 1.158 33.834 32.500 0.295 0.000 1.223 373 K HN 0.687 nan 8.250 nan 0.000 0.438 374 I N 6.824 127.507 120.570 0.187 0.000 2.517 374 I HA 0.178 4.348 4.170 0.000 0.000 0.285 374 I C 0.144 176.351 176.117 0.151 0.000 1.106 374 I CA 0.135 61.523 61.300 0.146 0.000 1.402 374 I CB 0.057 38.126 38.000 0.114 0.000 1.399 374 I HN 0.508 nan 8.210 nan 0.000 0.535 375 I N 2.025 122.706 120.570 0.185 0.000 3.095 375 I HA 0.469 4.639 4.170 0.000 0.000 0.310 375 I C -0.268 175.948 176.117 0.166 0.000 1.196 375 I CA -0.889 60.518 61.300 0.178 0.000 0.985 375 I CB 2.070 40.207 38.000 0.229 0.000 1.250 375 I HN 0.313 nan 8.210 nan 0.000 0.446 376 S N 2.859 118.599 115.700 0.067 0.000 2.481 376 S HA 0.210 4.680 4.470 0.000 0.000 0.276 376 S C 0.053 174.641 174.600 -0.020 0.000 1.247 376 S CA -0.504 57.668 58.200 -0.048 0.000 1.053 376 S CB -0.354 62.762 63.200 -0.140 0.000 0.925 376 S HN 0.827 nan 8.310 nan 0.000 0.491 377 N N 3.899 122.473 118.700 -0.210 0.000 2.263 377 N HA 0.006 4.746 4.740 0.000 0.000 0.239 377 N C 1.240 176.618 175.510 -0.219 0.000 1.317 377 N CA 0.009 52.770 53.050 -0.481 0.000 0.909 377 N CB 0.158 38.106 38.487 -0.898 0.000 1.171 377 N HN 0.704 nan 8.380 nan 0.000 0.492 378 E N -0.698 119.377 120.200 -0.207 0.000 2.331 378 E HA -0.223 4.127 4.350 0.000 0.000 0.199 378 E C 0.444 176.990 176.600 -0.090 0.000 1.008 378 E CA 1.475 57.820 56.400 -0.092 0.000 0.843 378 E CB -0.236 29.426 29.700 -0.063 0.000 0.761 378 E HN 0.828 nan 8.360 nan 0.000 0.507 379 E N -0.629 119.511 120.200 -0.099 0.000 2.372 379 E HA 0.202 4.552 4.350 0.000 0.000 0.201 379 E C 1.034 177.580 176.600 -0.089 0.000 0.938 379 E CA 0.563 56.930 56.400 -0.054 0.000 0.944 379 E CB 0.950 30.653 29.700 0.004 0.000 0.937 379 E HN 0.428 nan 8.360 nan 0.000 0.495 380 G N -0.429 108.288 108.800 -0.138 0.000 2.977 380 G HA2 -0.148 3.812 3.960 0.000 0.000 0.211 380 G HA3 -0.148 3.812 3.960 0.000 0.000 0.211 380 G C -0.547 174.107 174.900 -0.409 0.000 0.994 380 G CA -0.696 44.211 45.100 -0.323 0.000 0.795 380 G HN 0.067 nan 8.290 nan 0.000 0.518 381 Y N 1.574 121.722 120.300 -0.252 0.000 2.319 381 Y HA 0.635 5.185 4.550 0.000 0.000 0.328 381 Y C 1.165 176.799 175.900 -0.443 0.000 1.133 381 Y CA -0.251 57.658 58.100 -0.318 0.000 1.265 381 Y CB 0.719 39.024 38.460 -0.259 0.000 1.218 381 Y HN -0.030 nan 8.280 nan 0.000 0.508 382 R N 3.748 124.002 120.500 -0.411 0.000 2.210 382 R HA 0.260 4.600 4.340 0.000 0.000 0.338 382 R C -0.977 174.969 176.300 -0.590 0.000 1.062 382 R CA -0.162 55.727 56.100 -0.353 0.000 0.902 382 R CB 0.083 30.272 30.300 -0.185 0.000 1.050 382 R HN 0.634 nan 8.270 nan 0.000 0.461 383 H N 2.433 121.447 119.070 -0.093 0.000 2.768 383 H HA 0.276 4.832 4.556 0.000 0.000 0.371 383 H C -0.005 175.366 175.328 0.071 0.000 1.151 383 H CA -0.942 55.036 56.048 -0.117 0.000 1.165 383 H CB 1.730 31.323 29.762 -0.281 0.000 1.722 383 H HN 0.365 nan 8.280 nan 0.000 0.543 384 I N 1.784 122.403 120.570 0.082 0.000 2.587 384 I HA -0.063 4.107 4.170 0.000 0.000 0.284 384 I C 0.660 176.807 176.117 0.049 0.000 1.134 384 I CA 0.431 61.751 61.300 0.034 0.000 1.410 384 I CB 0.042 37.960 38.000 -0.137 0.000 1.392 384 I HN 0.217 nan 8.210 nan 0.000 0.545 385 c N 7.166 125.765 118.600 -0.003 0.000 2.358 385 c HA 0.342 4.912 4.570 0.000 0.000 0.342 385 c C -0.171 173.772 174.090 -0.245 0.000 1.234 385 c CA -0.592 55.542 56.329 -0.325 0.000 1.969 385 c CB 0.710 42.783 42.510 -0.727 0.000 2.346 385 c HN 0.697 nan 8.230 nan 0.000 0.525 386 Y N 4.612 124.586 120.300 -0.543 0.000 2.434 386 Y HA 0.556 5.106 4.550 0.000 0.000 0.341 386 Y C -0.785 174.648 175.900 -0.778 0.000 0.965 386 Y CA -0.477 57.249 58.100 -0.622 0.000 1.205 386 Y CB 0.131 38.338 38.460 -0.422 0.000 1.121 386 Y HN 0.655 nan 8.280 nan 0.000 0.507 387 F N 3.917 123.093 119.950 -1.290 0.000 2.397 387 F HA 0.364 4.891 4.527 0.000 0.000 0.331 387 F C 0.030 175.021 175.800 -1.349 0.000 1.090 387 F CA -0.416 56.765 58.000 -1.365 0.000 1.065 387 F CB 1.549 39.361 39.000 -1.982 0.000 1.184 387 F HN 0.429 nan 8.300 nan 0.000 0.499 388 Q N 1.922 121.344 119.800 -0.630 0.000 2.282 388 Q HA 0.408 4.748 4.340 0.000 0.000 0.260 388 Q C 0.738 176.716 176.000 -0.038 0.000 0.964 388 Q CA -0.185 55.397 55.803 -0.369 0.000 0.880 388 Q CB 1.582 30.170 28.738 -0.250 0.000 1.286 388 Q HN 0.725 nan 8.270 nan 0.000 0.445 389 I N 2.218 122.836 120.570 0.079 0.000 2.530 389 I HA -0.270 3.900 4.170 0.000 0.000 0.257 389 I C 0.559 176.809 176.117 0.222 0.000 1.179 389 I CA 1.166 62.648 61.300 0.303 0.000 1.440 389 I CB 0.270 38.445 38.000 0.291 0.000 1.087 389 I HN 0.715 nan 8.210 nan 0.000 0.440 390 D N 0.202 120.674 120.400 0.119 0.000 2.277 390 D HA 0.015 4.656 4.640 0.000 0.000 0.209 390 D C 0.576 176.908 176.300 0.054 0.000 0.970 390 D CA 0.637 54.669 54.000 0.054 0.000 0.874 390 D CB 0.245 41.062 40.800 0.029 0.000 0.982 390 D HN 0.133 nan 8.370 nan 0.000 0.504 391 K N 2.089 122.549 120.400 0.100 0.000 2.234 391 K HA 0.094 4.414 4.320 0.000 0.000 0.282 391 K C 1.115 177.827 176.600 0.187 0.000 1.039 391 K CA -0.342 55.989 56.287 0.073 0.000 0.928 391 K CB 2.365 34.860 32.500 -0.008 0.000 1.039 391 K HN -0.104 nan 8.250 nan 0.000 0.470 392 K N 2.022 122.491 120.400 0.116 0.000 2.001 392 K HA -0.100 4.220 4.320 0.000 0.000 0.208 392 K C -0.296 176.408 176.600 0.173 0.000 1.048 392 K CA 1.314 57.708 56.287 0.179 0.000 0.932 392 K CB 0.130 32.673 32.500 0.071 0.000 0.715 392 K HN 0.524 nan 8.250 nan 0.000 0.437 393 D N 1.032 121.442 120.400 0.018 0.000 2.339 393 D HA 0.084 4.724 4.640 0.000 0.000 0.245 393 D C 0.024 176.144 176.300 -0.299 0.000 1.115 393 D CA -0.029 53.908 54.000 -0.104 0.000 0.917 393 D CB 1.224 41.966 40.800 -0.096 0.000 1.192 393 D HN 0.408 nan 8.370 nan 0.000 0.428 394 c N -0.525 117.745 118.600 -0.549 0.000 2.913 394 c HA 0.883 5.453 4.570 0.000 0.000 0.322 394 c C -0.088 173.610 174.090 -0.653 0.000 1.292 394 c CA -0.771 55.046 56.329 -0.854 0.000 1.649 394 c CB 1.186 42.612 42.510 -1.806 0.000 2.139 394 c HN 0.633 nan 8.230 nan 0.000 0.475 395 T N -0.899 113.319 114.554 -0.559 0.000 2.807 395 T HA 0.620 4.970 4.350 0.000 0.000 0.279 395 T C -0.842 173.616 174.700 -0.404 0.000 0.993 395 T CA -0.202 61.684 62.100 -0.358 0.000 0.970 395 T CB 0.619 69.422 68.868 -0.108 0.000 0.950 395 T HN 0.514 nan 8.240 nan 0.000 0.441 396 F N 3.080 122.913 119.950 -0.195 0.000 2.506 396 F HA 0.246 4.773 4.527 0.000 0.000 0.371 396 F C 1.673 177.313 175.800 -0.268 0.000 1.078 396 F CA -1.256 56.612 58.000 -0.221 0.000 1.195 396 F CB 0.299 39.168 39.000 -0.218 0.000 1.099 396 F HN 0.676 nan 8.300 nan 0.000 0.548 397 I N -0.342 120.105 120.570 -0.204 0.000 3.419 397 I HA 0.126 4.296 4.170 0.000 0.000 0.286 397 I C 0.600 176.535 176.117 -0.304 0.000 1.268 397 I CA 0.341 61.343 61.300 -0.497 0.000 1.414 397 I CB -0.621 36.867 38.000 -0.854 0.000 1.074 397 I HN 0.449 nan 8.210 nan 0.000 0.457 398 T N -0.293 114.129 114.554 -0.219 0.000 2.906 398 T HA 0.750 5.101 4.350 0.000 0.000 0.295 398 T C -0.665 173.593 174.700 -0.735 0.000 1.075 398 T CA -0.821 61.096 62.100 -0.306 0.000 1.005 398 T CB 2.472 71.216 68.868 -0.206 0.000 1.136 398 T HN 0.469 nan 8.240 nan 0.000 0.498 399 K N -0.023 119.779 120.400 -0.996 0.000 2.579 399 K HA 0.762 5.082 4.320 0.000 0.000 0.284 399 K C -0.214 175.806 176.600 -0.967 0.000 0.990 399 K CA -0.832 54.697 56.287 -1.262 0.000 0.880 399 K CB 1.398 33.538 32.500 -0.600 0.000 1.488 399 K HN 1.666 nan 8.250 nan 0.000 0.425 400 G N 0.014 108.368 108.800 -0.744 0.000 2.434 400 G HA2 -0.093 3.867 3.960 0.000 0.000 0.671 400 G HA3 -0.093 3.867 3.960 0.000 0.000 0.671 400 G C -0.252 174.257 174.900 -0.651 0.000 1.280 400 G CA -0.305 44.514 45.100 -0.469 0.000 0.975 400 G HN 1.117 nan 8.290 nan 0.000 0.510 401 T N -0.832 113.416 114.554 -0.510 0.000 3.467 401 T HA 0.514 4.865 4.350 0.000 0.000 0.232 401 T C 0.412 174.963 174.700 -0.248 0.000 0.876 401 T CA 0.795 62.358 62.100 -0.895 0.000 0.939 401 T CB -0.899 67.681 68.868 -0.480 0.000 1.165 401 T HN 1.382 nan 8.240 nan 0.000 0.615 402 W N -0.358 120.804 121.300 -0.229 0.000 3.098 402 W HA 0.754 5.414 4.660 0.000 0.000 0.367 402 W C -0.971 175.632 176.519 0.140 0.000 1.163 402 W CA -1.169 56.214 57.345 0.063 0.000 1.113 402 W CB 0.717 30.199 29.460 0.038 0.000 1.501 402 W HN 0.081 nan 8.180 nan 0.000 0.598 403 E N 0.735 121.120 120.200 0.308 0.000 2.293 403 E HA 0.412 4.762 4.350 0.000 0.000 0.270 403 E C -1.154 175.552 176.600 0.177 0.000 0.879 403 E CA -1.064 55.332 56.400 -0.006 0.000 0.756 403 E CB 3.437 33.176 29.700 0.065 0.000 1.208 403 E HN 0.123 nan 8.360 nan 0.000 0.428 404 V N 4.126 124.038 119.914 -0.004 0.000 2.530 404 V HA 0.025 4.145 4.120 0.000 0.000 0.282 404 V C 1.216 177.434 176.094 0.207 0.000 1.048 404 V CA -0.021 62.404 62.300 0.208 0.000 0.997 404 V CB 0.567 32.444 31.823 0.089 0.000 0.987 404 V HN 0.677 nan 8.190 nan 0.000 0.477 405 I N 3.057 123.782 120.570 0.258 0.000 2.368 405 I HA 0.269 4.439 4.170 0.000 0.000 0.238 405 I C 1.151 177.401 176.117 0.223 0.000 1.076 405 I CA 1.223 62.659 61.300 0.227 0.000 1.397 405 I CB -0.842 37.233 38.000 0.124 0.000 1.141 405 I HN 0.722 nan 8.210 nan 0.000 0.430 406 G N 0.984 109.916 108.800 0.221 0.000 2.719 406 G HA2 0.612 4.573 3.960 0.000 0.000 0.298 406 G HA3 0.612 4.573 3.960 0.000 0.000 0.298 406 G C -1.055 173.961 174.900 0.192 0.000 1.411 406 G CA -0.461 44.763 45.100 0.206 0.000 0.991 406 G HN 0.019 nan 8.290 nan 0.000 0.509 407 I N 1.920 122.552 120.570 0.104 0.000 2.396 407 I HA 0.187 4.357 4.170 0.000 0.000 0.289 407 I C 0.728 176.765 176.117 -0.133 0.000 1.056 407 I CA -0.349 60.906 61.300 -0.075 0.000 1.365 407 I CB 1.427 39.229 38.000 -0.330 0.000 1.407 407 I HN 0.471 nan 8.210 nan 0.000 0.509 408 E N 4.903 125.102 120.200 -0.001 0.000 2.290 408 E HA 0.339 4.689 4.350 0.000 0.000 0.197 408 E C 0.247 176.856 176.600 0.014 0.000 0.948 408 E CA 0.236 56.706 56.400 0.116 0.000 0.895 408 E CB 0.799 30.659 29.700 0.267 0.000 0.865 408 E HN 0.707 nan 8.360 nan 0.000 0.486 409 A N 0.479 123.215 122.820 -0.140 0.000 2.610 409 A HA 0.667 4.987 4.320 0.000 0.000 0.291 409 A C -1.964 175.549 177.584 -0.118 0.000 1.086 409 A CA -0.586 51.278 52.037 -0.289 0.000 0.677 409 A CB 1.443 19.806 19.000 -1.062 0.000 1.278 409 A HN 0.030 nan 8.150 nan 0.000 0.414 410 L N 0.999 122.187 121.223 -0.058 0.000 2.580 410 L HA 0.674 5.014 4.340 0.000 0.000 0.266 410 L C 0.034 176.940 176.870 0.059 0.000 0.955 410 L CA 0.425 55.282 54.840 0.029 0.000 0.886 410 L CB 1.880 44.005 42.059 0.109 0.000 1.263 410 L HN 1.171 nan 8.230 nan 0.000 0.406 411 T N -0.300 114.310 114.554 0.093 0.000 2.919 411 T HA 0.446 4.796 4.350 0.000 0.000 0.282 411 T C 1.172 175.925 174.700 0.087 0.000 1.020 411 T CA 0.018 62.176 62.100 0.098 0.000 0.994 411 T CB 1.229 70.176 68.868 0.132 0.000 1.180 411 T HN 0.621 nan 8.240 nan 0.000 0.566 412 S N -0.115 115.628 115.700 0.072 0.000 2.399 412 S HA -0.140 4.330 4.470 0.000 0.000 0.231 412 S C 1.004 175.592 174.600 -0.019 0.000 1.022 412 S CA 1.439 59.668 58.200 0.048 0.000 0.983 412 S CB -0.674 62.552 63.200 0.044 0.000 0.803 412 S HN 0.740 nan 8.310 nan 0.000 0.480 413 D N -0.419 119.941 120.400 -0.067 0.000 2.323 413 D HA 0.291 4.931 4.640 0.000 0.000 0.218 413 D C -0.216 175.798 176.300 -0.477 0.000 0.973 413 D CA 0.654 54.481 54.000 -0.288 0.000 0.890 413 D CB 0.182 40.773 40.800 -0.347 0.000 1.011 413 D HN 0.481 nan 8.370 nan 0.000 0.499 414 Y N -0.482 119.798 120.300 -0.033 0.000 2.570 414 Y HA 0.535 5.085 4.550 0.000 0.000 0.345 414 Y C -0.678 175.130 175.900 -0.153 0.000 1.014 414 Y CA -1.276 56.739 58.100 -0.142 0.000 1.063 414 Y CB 2.240 40.532 38.460 -0.280 0.000 1.272 414 Y HN -0.278 nan 8.280 nan 0.000 0.477 415 L N 2.148 123.325 121.223 -0.076 0.000 2.362 415 L HA 0.595 4.935 4.340 0.000 0.000 0.275 415 L C -1.893 174.897 176.870 -0.134 0.000 0.998 415 L CA -0.532 54.230 54.840 -0.130 0.000 0.820 415 L CB 1.084 42.930 42.059 -0.355 0.000 1.270 415 L HN 0.631 nan 8.230 nan 0.000 0.415 416 Y N 4.602 124.850 120.300 -0.085 0.000 2.387 416 Y HA 0.591 5.141 4.550 0.000 0.000 0.336 416 Y C -0.437 175.514 175.900 0.086 0.000 1.067 416 Y CA -0.359 57.715 58.100 -0.044 0.000 1.114 416 Y CB 1.563 39.928 38.460 -0.158 0.000 1.208 416 Y HN 0.598 nan 8.280 nan 0.000 0.458 417 Y N -0.367 119.990 120.300 0.096 0.000 2.725 417 Y HA 0.791 5.341 4.550 0.000 0.000 0.333 417 Y C -2.076 173.898 175.900 0.124 0.000 1.242 417 Y CA -1.825 56.328 58.100 0.089 0.000 1.059 417 Y CB 1.148 39.645 38.460 0.060 0.000 1.306 417 Y HN 0.428 nan 8.280 nan 0.000 0.454 418 I N 2.589 123.285 120.570 0.210 0.000 2.530 418 I HA 0.703 4.873 4.170 0.000 0.000 0.297 418 I C -0.588 175.716 176.117 0.313 0.000 1.011 418 I CA -0.532 60.829 61.300 0.102 0.000 1.107 418 I CB 2.222 40.253 38.000 0.051 0.000 1.285 418 I HN 0.889 nan 8.210 nan 0.000 0.436 419 S N 2.682 118.548 115.700 0.277 0.000 2.656 419 S HA 0.387 4.857 4.470 0.000 0.000 0.273 419 S C -0.752 173.986 174.600 0.231 0.000 1.168 419 S CA -0.882 57.550 58.200 0.387 0.000 0.817 419 S CB 1.607 65.235 63.200 0.713 0.000 1.146 419 S HN 0.647 nan 8.310 nan 0.000 0.475 420 N N -0.396 118.451 118.700 0.245 0.000 2.453 420 N HA 0.184 4.924 4.740 0.000 0.000 0.270 420 N C 0.441 176.003 175.510 0.088 0.000 1.195 420 N CA -0.355 52.767 53.050 0.119 0.000 0.902 420 N CB 0.383 38.910 38.487 0.068 0.000 1.186 420 N HN 0.785 nan 8.380 nan 0.000 0.510 421 E N 0.054 120.209 120.200 -0.074 0.000 2.028 421 E HA -0.123 4.227 4.350 0.000 0.000 0.190 421 E C -0.367 176.127 176.600 -0.177 0.000 0.984 421 E CA 0.032 56.145 56.400 -0.480 0.000 0.800 421 E CB -0.096 28.660 29.700 -1.574 0.000 0.758 421 E HN 0.500 nan 8.360 nan 0.000 0.448 422 Y N 1.862 122.078 120.300 -0.140 0.000 2.916 422 Y HA -0.246 4.304 4.550 0.000 0.000 0.344 422 Y C 0.376 176.233 175.900 -0.072 0.000 1.282 422 Y CA 0.953 59.007 58.100 -0.076 0.000 1.604 422 Y CB 0.143 38.579 38.460 -0.039 0.000 1.207 422 Y HN 0.150 nan 8.280 nan 0.000 0.561 423 K N 3.107 123.253 120.400 -0.424 0.000 3.349 423 K HA -0.252 4.068 4.320 0.000 0.000 0.310 423 K C 0.696 177.218 176.600 -0.129 0.000 1.267 423 K CA 0.782 56.859 56.287 -0.349 0.000 0.920 423 K CB -1.785 30.438 32.500 -0.461 0.000 1.240 423 K HN 1.230 nan 8.250 nan 0.000 0.453 424 G N 0.751 109.494 108.800 -0.094 0.000 2.273 424 G HA2 -0.320 3.640 3.960 0.000 0.000 0.280 424 G HA3 -0.320 3.640 3.960 0.000 0.000 0.280 424 G C -0.071 174.814 174.900 -0.026 0.000 1.047 424 G CA 0.777 45.867 45.100 -0.018 0.000 0.869 424 G HN 0.291 nan 8.290 nan 0.000 0.502 425 M N -0.156 119.360 119.600 -0.140 0.000 2.047 425 M HA 0.278 4.758 4.480 0.000 0.000 0.342 425 M C -1.330 174.757 176.300 -0.355 0.000 1.058 425 M CA -2.131 52.930 55.300 -0.397 0.000 0.991 425 M CB 1.959 34.366 32.600 -0.322 0.000 1.474 425 M HN -0.129 nan 8.290 nan 0.000 0.419 426 P HA -0.080 nan 4.420 nan 0.000 0.221 426 P C 1.154 178.330 177.300 -0.207 0.000 1.145 426 P CA 1.006 63.965 63.100 -0.235 0.000 0.795 426 P CB 0.229 31.792 31.700 -0.228 0.000 0.775 427 G N -1.239 107.373 108.800 -0.314 0.000 3.088 427 G HA2 0.245 4.205 3.960 0.000 0.000 0.217 427 G HA3 0.245 4.205 3.960 0.000 0.000 0.217 427 G C 0.661 175.577 174.900 0.027 0.000 1.159 427 G CA 0.085 45.118 45.100 -0.111 0.000 0.760 427 G HN 0.373 nan 8.290 nan 0.000 0.550 428 G N -0.028 108.730 108.800 -0.071 0.000 2.412 428 G HA2 0.600 4.560 3.960 0.000 0.000 0.318 428 G HA3 0.600 4.560 3.960 0.000 0.000 0.318 428 G C -0.767 174.031 174.900 -0.170 0.000 1.146 428 G CA -0.681 44.404 45.100 -0.024 0.000 0.882 428 G HN 0.048 nan 8.290 nan 0.000 0.501 429 R N 0.746 121.082 120.500 -0.273 0.000 2.532 429 R HA 0.403 4.743 4.340 0.000 0.000 0.297 429 R C -1.136 175.085 176.300 -0.132 0.000 0.984 429 R CA -0.871 55.034 56.100 -0.325 0.000 0.884 429 R CB 1.755 31.626 30.300 -0.715 0.000 1.182 429 R HN 0.671 nan 8.270 nan 0.000 0.442 430 N N 0.722 119.328 118.700 -0.156 0.000 2.242 430 N HA 0.404 5.144 4.740 0.000 0.000 0.292 430 N C -1.423 173.752 175.510 -0.558 0.000 1.125 430 N CA -0.786 52.037 53.050 -0.379 0.000 0.783 430 N CB 2.308 40.448 38.487 -0.579 0.000 1.558 430 N HN 0.281 nan 8.380 nan 0.000 0.472 431 L N 2.547 123.352 121.223 -0.696 0.000 2.265 431 L HA 0.509 4.849 4.340 0.000 0.000 0.288 431 L C -1.613 174.748 176.870 -0.850 0.000 1.058 431 L CA -0.052 54.427 54.840 -0.602 0.000 0.809 431 L CB -0.188 41.608 42.059 -0.438 0.000 1.179 431 L HN 0.495 nan 8.230 nan 0.000 0.429 432 Y N 3.642 123.538 120.300 -0.674 0.000 2.509 432 Y HA 0.528 5.078 4.550 0.000 0.000 0.341 432 Y C -0.261 175.309 175.900 -0.549 0.000 1.038 432 Y CA -0.773 56.936 58.100 -0.651 0.000 1.089 432 Y CB 1.563 39.551 38.460 -0.787 0.000 1.241 432 Y HN 0.525 nan 8.280 nan 0.000 0.468 433 K N 2.883 123.127 120.400 -0.261 0.000 2.323 433 K HA 0.652 4.972 4.320 0.000 0.000 0.259 433 K C -1.618 174.907 176.600 -0.126 0.000 0.947 433 K CA -0.574 55.475 56.287 -0.397 0.000 0.819 433 K CB 1.887 33.817 32.500 -0.949 0.000 1.109 433 K HN 0.793 nan 8.250 nan 0.000 0.429 434 I N 2.867 123.445 120.570 0.013 0.000 2.336 434 I HA 0.092 4.262 4.170 0.000 0.000 0.292 434 I C -0.277 175.928 176.117 0.147 0.000 0.991 434 I CA -0.612 60.751 61.300 0.105 0.000 1.227 434 I CB 1.544 39.607 38.000 0.106 0.000 1.366 434 I HN 0.788 nan 8.210 nan 0.000 0.466 435 Q N 5.446 125.362 119.800 0.194 0.000 2.286 435 Q HA 0.070 4.410 4.340 0.000 0.000 0.267 435 Q C 0.283 176.292 176.000 0.016 0.000 1.028 435 Q CA -0.429 55.421 55.803 0.079 0.000 0.901 435 Q CB 1.097 29.872 28.738 0.062 0.000 1.183 435 Q HN 0.719 nan 8.270 nan 0.000 0.392 436 L N 3.088 124.254 121.223 -0.094 0.000 2.376 436 L HA -0.122 4.218 4.340 0.000 0.000 0.219 436 L C 2.073 178.882 176.870 -0.102 0.000 1.133 436 L CA 1.570 56.401 54.840 -0.013 0.000 0.816 436 L CB -0.508 41.517 42.059 -0.056 0.000 0.933 436 L HN 0.731 nan 8.230 nan 0.000 0.449 437 S N -3.199 112.396 115.700 -0.176 0.000 2.517 437 S HA 0.086 4.556 4.470 0.000 0.000 0.214 437 S C 0.562 175.004 174.600 -0.264 0.000 0.991 437 S CA -0.144 57.922 58.200 -0.222 0.000 0.906 437 S CB 0.225 63.321 63.200 -0.174 0.000 0.789 437 S HN 0.307 nan 8.310 nan 0.000 0.513 438 D N 0.052 120.332 120.400 -0.200 0.000 2.323 438 D HA 0.279 4.919 4.640 0.000 0.000 0.242 438 D C -0.440 175.855 176.300 -0.010 0.000 1.347 438 D CA -0.570 53.339 54.000 -0.152 0.000 0.988 438 D CB 0.428 41.180 40.800 -0.080 0.000 1.314 438 D HN -0.032 nan 8.370 nan 0.000 0.564 439 Y N 0.868 121.138 120.300 -0.050 0.000 2.421 439 Y HA -0.113 4.437 4.550 0.000 0.000 0.292 439 Y C 2.575 178.465 175.900 -0.016 0.000 1.136 439 Y CA 1.426 59.504 58.100 -0.038 0.000 1.255 439 Y CB -0.944 37.489 38.460 -0.045 0.000 0.991 439 Y HN 0.411 nan 8.280 nan 0.000 0.552 440 T N -2.349 112.277 114.554 0.120 0.000 3.072 440 T HA -0.057 4.293 4.350 0.000 0.000 0.266 440 T C 0.759 175.493 174.700 0.057 0.000 1.127 440 T CA 0.401 62.543 62.100 0.069 0.000 1.107 440 T CB -0.206 68.682 68.868 0.033 0.000 0.910 440 T HN 0.110 nan 8.240 nan 0.000 0.513 441 K N 2.492 122.932 120.400 0.066 0.000 2.265 441 K HA 0.425 4.746 4.320 0.000 0.000 0.242 441 K C -1.047 175.598 176.600 0.074 0.000 1.137 441 K CA -0.287 56.035 56.287 0.059 0.000 1.082 441 K CB 0.952 33.486 32.500 0.055 0.000 1.731 441 K HN 0.208 nan 8.250 nan 0.000 0.392 442 V N 1.536 121.485 119.914 0.058 0.000 2.417 442 V HA 0.280 4.400 4.120 0.000 0.000 0.291 442 V C 0.112 176.227 176.094 0.034 0.000 1.024 442 V CA -0.830 61.506 62.300 0.060 0.000 0.861 442 V CB 1.477 33.341 31.823 0.068 0.000 0.985 442 V HN 0.457 nan 8.190 nan 0.000 0.436 443 T N 2.909 117.464 114.554 0.003 0.000 2.779 443 T HA 0.258 4.609 4.350 0.000 0.000 0.280 443 T C -0.214 174.450 174.700 -0.060 0.000 0.987 443 T CA -0.327 61.748 62.100 -0.041 0.000 0.966 443 T CB 1.276 70.076 68.868 -0.112 0.000 0.933 443 T HN 0.790 nan 8.240 nan 0.000 0.442 444 C N 5.098 124.349 119.300 -0.081 0.000 2.555 444 C HA 0.323 4.783 4.460 0.000 0.000 0.385 444 C C 1.760 176.491 174.990 -0.433 0.000 1.296 444 C CA -0.524 58.243 59.018 -0.419 0.000 1.757 444 C CB -1.945 25.468 27.740 -0.546 0.000 2.445 444 C HN 0.977 nan 8.230 nan 0.000 0.571 445 L N 4.731 125.649 121.223 -0.507 0.000 2.375 445 L HA 0.048 4.388 4.340 0.000 0.000 0.215 445 L C 2.301 178.858 176.870 -0.522 0.000 1.108 445 L CA 1.010 55.601 54.840 -0.415 0.000 0.830 445 L CB -0.383 41.462 42.059 -0.357 0.000 0.959 445 L HN 0.871 nan 8.230 nan 0.000 0.457 446 S N -1.830 113.430 115.700 -0.733 0.000 2.510 446 S HA -0.078 4.392 4.470 0.000 0.000 0.230 446 S C 2.081 176.263 174.600 -0.696 0.000 1.066 446 S CA 0.377 57.991 58.200 -0.977 0.000 0.941 446 S CB -0.587 61.585 63.200 -1.713 0.000 0.829 446 S HN 0.334 nan 8.310 nan 0.000 0.530 447 C N 2.171 121.036 119.300 -0.725 0.000 2.344 447 C HA -0.161 4.299 4.460 0.000 0.000 0.267 447 C C 2.551 177.289 174.990 -0.420 0.000 1.124 447 C CA 1.866 60.426 59.018 -0.764 0.000 1.819 447 C CB -1.415 25.564 27.740 -1.268 0.000 2.098 447 C HN 0.631 nan 8.230 nan 0.000 0.442 448 E N -0.323 119.688 120.200 -0.315 0.000 2.474 448 E HA 0.198 4.548 4.350 0.000 0.000 0.195 448 E C 1.863 178.414 176.600 -0.081 0.000 1.039 448 E CA -0.080 56.234 56.400 -0.143 0.000 0.881 448 E CB -0.175 29.455 29.700 -0.117 0.000 0.970 448 E HN 0.581 nan 8.360 nan 0.000 0.486 449 L N 0.101 121.268 121.223 -0.093 0.000 2.046 449 L HA -0.052 4.288 4.340 0.000 0.000 0.208 449 L C 0.622 177.508 176.870 0.027 0.000 1.077 449 L CA 0.932 55.761 54.840 -0.019 0.000 0.747 449 L CB 0.104 42.163 42.059 0.001 0.000 0.896 449 L HN 0.070 nan 8.230 nan 0.000 0.432 450 N N -1.624 117.109 118.700 0.056 0.000 2.793 450 N HA 0.143 4.884 4.740 0.000 0.000 0.251 450 N C -2.225 173.323 175.510 0.063 0.000 1.308 450 N CA -0.646 52.433 53.050 0.048 0.000 0.781 450 N CB 1.792 40.301 38.487 0.036 0.000 1.439 450 N HN -0.200 nan 8.380 nan 0.000 0.562 451 P HA 0.028 nan 4.420 nan 0.000 0.225 451 P C 0.858 178.207 177.300 0.081 0.000 1.156 451 P CA 0.981 64.144 63.100 0.105 0.000 0.787 451 P CB 0.945 32.714 31.700 0.115 0.000 0.802 452 E N -0.485 119.741 120.200 0.043 0.000 2.045 452 E HA -0.076 4.274 4.350 0.000 0.000 0.190 452 E C 2.166 178.766 176.600 0.000 0.000 0.968 452 E CA 0.533 56.946 56.400 0.021 0.000 0.813 452 E CB -0.136 29.569 29.700 0.008 0.000 0.780 452 E HN -0.009 nan 8.360 nan 0.000 0.455 453 R N 0.130 120.619 120.500 -0.019 0.000 2.148 453 R HA 0.014 4.354 4.340 0.000 0.000 0.223 453 R C -0.182 176.068 176.300 -0.084 0.000 1.088 453 R CA 0.800 56.865 56.100 -0.059 0.000 0.985 453 R CB 0.096 30.353 30.300 -0.070 0.000 0.880 453 R HN 0.041 nan 8.270 nan 0.000 0.451 454 c N 0.723 119.290 118.600 -0.055 0.000 2.407 454 c HA 0.404 4.974 4.570 0.000 0.000 0.328 454 c C -0.286 173.796 174.090 -0.014 0.000 1.137 454 c CA -0.678 55.570 56.329 -0.135 0.000 1.390 454 c CB 1.306 43.692 42.510 -0.206 0.000 1.989 454 c HN 0.565 nan 8.230 nan 0.000 0.432 455 Q N 0.498 120.287 119.800 -0.019 0.000 2.127 455 Q HA 0.241 4.581 4.340 0.000 0.000 0.222 455 Q C -0.939 175.127 176.000 0.110 0.000 0.794 455 Q CA 0.150 56.008 55.803 0.092 0.000 1.010 455 Q CB 1.220 30.017 28.738 0.098 0.000 1.170 455 Q HN 0.793 nan 8.270 nan 0.000 0.479 456 Y N 0.242 120.444 120.300 -0.162 0.000 2.344 456 Y HA 0.356 4.906 4.550 0.000 0.000 0.328 456 Y C -1.718 174.039 175.900 -0.239 0.000 1.067 456 Y CA -0.977 57.044 58.100 -0.133 0.000 1.247 456 Y CB 0.884 39.273 38.460 -0.119 0.000 1.113 456 Y HN -0.069 nan 8.280 nan 0.000 0.465 457 Y N 2.553 122.756 120.300 -0.162 0.000 2.468 457 Y HA 0.658 5.208 4.550 0.000 0.000 0.342 457 Y C 0.132 175.958 175.900 -0.123 0.000 1.021 457 Y CA -0.489 57.536 58.100 -0.127 0.000 1.079 457 Y CB 2.317 40.668 38.460 -0.182 0.000 1.226 457 Y HN 0.523 nan 8.280 nan 0.000 0.460 458 S N 1.234 117.007 115.700 0.122 0.000 2.667 458 S HA 0.870 5.340 4.470 0.000 0.000 0.292 458 S C -1.820 172.838 174.600 0.095 0.000 1.126 458 S CA -0.783 57.475 58.200 0.095 0.000 0.881 458 S CB 1.886 65.154 63.200 0.112 0.000 1.132 458 S HN 0.598 nan 8.310 nan 0.000 0.492 459 V N 0.895 120.858 119.914 0.081 0.000 2.808 459 V HA 0.781 4.902 4.120 0.000 0.000 0.308 459 V C -0.980 175.143 176.094 0.048 0.000 1.099 459 V CA -0.189 62.115 62.300 0.008 0.000 0.920 459 V CB 2.076 33.815 31.823 -0.140 0.000 1.014 459 V HN 1.167 nan 8.190 nan 0.000 0.425 460 S N 6.108 121.831 115.700 0.037 0.000 2.498 460 S HA 0.752 5.222 4.470 0.000 0.000 0.317 460 S C -1.106 173.549 174.600 0.091 0.000 1.090 460 S CA -0.358 57.952 58.200 0.182 0.000 1.089 460 S CB 0.652 64.030 63.200 0.297 0.000 0.997 460 S HN 0.501 nan 8.310 nan 0.000 0.470 461 F N 2.935 122.963 119.950 0.130 0.000 2.425 461 F HA 0.439 4.966 4.527 0.000 0.000 0.331 461 F C 1.231 176.666 175.800 -0.608 0.000 1.085 461 F CA -0.471 57.441 58.000 -0.146 0.000 1.028 461 F CB 1.680 40.585 39.000 -0.158 0.000 1.177 461 F HN 0.659 nan 8.300 nan 0.000 0.487 462 S N 1.495 116.614 115.700 -0.968 0.000 2.584 462 S HA 0.130 4.600 4.470 0.000 0.000 0.270 462 S C 0.996 175.397 174.600 -0.332 0.000 1.346 462 S CA -0.739 56.732 58.200 -1.215 0.000 1.018 462 S CB 0.841 63.303 63.200 -1.231 0.000 0.899 462 S HN 0.750 nan 8.310 nan 0.000 0.542 463 K N 0.457 120.779 120.400 -0.130 0.000 2.293 463 K HA -0.165 4.155 4.320 0.000 0.000 0.204 463 K C 1.275 177.870 176.600 -0.009 0.000 1.045 463 K CA 1.914 58.209 56.287 0.013 0.000 0.933 463 K CB -0.103 32.447 32.500 0.084 0.000 0.736 463 K HN 0.784 nan 8.250 nan 0.000 0.463 464 E N -1.473 118.687 120.200 -0.067 0.000 2.812 464 E HA 0.243 4.593 4.350 0.000 0.000 0.211 464 E C -0.843 175.701 176.600 -0.092 0.000 0.986 464 E CA 0.256 56.626 56.400 -0.051 0.000 1.119 464 E CB 0.884 30.570 29.700 -0.024 0.000 1.046 464 E HN 0.236 nan 8.360 nan 0.000 0.474 465 A N 1.093 123.839 122.820 -0.122 0.000 2.869 465 A HA -0.280 4.040 4.320 0.000 0.000 0.280 465 A C 1.195 178.730 177.584 -0.082 0.000 1.458 465 A CA 1.391 53.349 52.037 -0.131 0.000 0.776 465 A CB -2.015 16.726 19.000 -0.432 0.000 1.028 465 A HN 0.329 nan 8.150 nan 0.000 0.547 466 K N -1.789 118.533 120.400 -0.130 0.000 2.284 466 K HA 0.256 4.576 4.320 0.000 0.000 0.198 466 K C 0.310 176.638 176.600 -0.453 0.000 1.048 466 K CA 1.052 57.179 56.287 -0.266 0.000 0.987 466 K CB 0.117 32.418 32.500 -0.331 0.000 0.800 466 K HN 0.681 nan 8.250 nan 0.000 0.486 467 Y N -1.134 119.098 120.300 -0.114 0.000 2.693 467 Y HA 0.368 4.918 4.550 0.000 0.000 0.331 467 Y C -0.989 174.896 175.900 -0.026 0.000 1.092 467 Y CA -1.220 56.820 58.100 -0.100 0.000 1.131 467 Y CB 1.528 39.884 38.460 -0.173 0.000 1.318 467 Y HN -0.031 nan 8.280 nan 0.000 0.510 468 Y N -1.504 118.800 120.300 0.006 0.000 2.521 468 Y HA 0.371 4.921 4.550 0.000 0.000 0.326 468 Y C -1.487 174.413 175.900 -0.000 0.000 1.176 468 Y CA -1.461 56.486 58.100 -0.255 0.000 1.079 468 Y CB 0.961 38.855 38.460 -0.944 0.000 1.341 468 Y HN 0.611 nan 8.280 nan 0.000 0.456 469 Q N 3.461 123.347 119.800 0.144 0.000 2.243 469 Q HA 0.612 4.952 4.340 0.000 0.000 0.252 469 Q C -1.679 174.403 176.000 0.136 0.000 0.909 469 Q CA -0.818 55.051 55.803 0.109 0.000 0.922 469 Q CB 1.288 30.091 28.738 0.109 0.000 1.215 469 Q HN 0.929 nan 8.270 nan 0.000 0.427 470 L N 4.182 125.504 121.223 0.165 0.000 2.287 470 L HA 0.473 4.813 4.340 0.000 0.000 0.287 470 L C 0.008 176.924 176.870 0.078 0.000 1.022 470 L CA -0.449 54.495 54.840 0.173 0.000 0.814 470 L CB 1.365 43.565 42.059 0.234 0.000 1.217 470 L HN 0.540 nan 8.230 nan 0.000 0.420 471 R N 3.439 123.955 120.500 0.027 0.000 2.196 471 R HA 0.252 4.592 4.340 0.000 0.000 0.340 471 R C -0.953 175.182 176.300 -0.274 0.000 1.043 471 R CA -0.376 55.577 56.100 -0.245 0.000 0.883 471 R CB 0.974 31.233 30.300 -0.068 0.000 1.078 471 R HN 0.669 nan 8.270 nan 0.000 0.462 472 c N 3.785 122.087 118.600 -0.497 0.000 2.285 472 c HA 0.302 4.872 4.570 0.000 0.000 0.335 472 c C 1.310 175.161 174.090 -0.399 0.000 1.267 472 c CA -0.361 55.598 56.329 -0.617 0.000 1.762 472 c CB 0.686 42.796 42.510 -0.667 0.000 2.365 472 c HN 0.969 nan 8.230 nan 0.000 0.527 473 S N 3.195 118.754 115.700 -0.236 0.000 2.478 473 S HA 0.424 4.894 4.470 0.000 0.000 0.222 473 S C 0.831 175.380 174.600 -0.086 0.000 1.008 473 S CA 0.732 58.869 58.200 -0.104 0.000 0.928 473 S CB 0.064 63.253 63.200 -0.019 0.000 0.781 473 S HN 1.341 nan 8.310 nan 0.000 0.518 474 G N 0.738 109.468 108.800 -0.118 0.000 2.343 474 G HA2 0.225 4.185 3.960 0.000 0.000 0.289 474 G HA3 0.225 4.185 3.960 0.000 0.000 0.289 474 G C -3.019 171.841 174.900 -0.066 0.000 1.295 474 G CA -0.647 44.417 45.100 -0.059 0.000 0.869 474 G HN -0.133 nan 8.290 nan 0.000 0.522 475 P HA 0.152 nan 4.420 nan 0.000 0.225 475 P C 1.530 178.841 177.300 0.017 0.000 1.156 475 P CA 1.438 64.554 63.100 0.027 0.000 0.787 475 P CB 0.064 31.779 31.700 0.026 0.000 0.802 476 G N 0.177 108.921 108.800 -0.093 0.000 2.529 476 G HA2 0.226 4.186 3.960 0.000 0.000 0.277 476 G HA3 0.226 4.186 3.960 0.000 0.000 0.277 476 G C -0.260 174.383 174.900 -0.427 0.000 1.383 476 G CA -0.567 44.398 45.100 -0.225 0.000 1.050 476 G HN 0.059 nan 8.290 nan 0.000 0.526 477 L N 1.016 121.923 121.223 -0.527 0.000 2.456 477 L HA 0.165 4.505 4.340 0.000 0.000 0.272 477 L C -1.849 174.859 176.870 -0.271 0.000 1.189 477 L CA -1.345 53.166 54.840 -0.548 0.000 0.846 477 L CB 0.553 42.369 42.059 -0.404 0.000 1.111 477 L HN 0.242 nan 8.230 nan 0.000 0.475 478 P HA 0.044 nan 4.420 nan 0.000 0.264 478 P C -0.929 176.287 177.300 -0.139 0.000 1.183 478 P CA 0.035 63.050 63.100 -0.142 0.000 0.763 478 P CB 0.580 32.286 31.700 0.010 0.000 0.807 479 L N 5.039 126.083 121.223 -0.299 0.000 2.385 479 L HA 0.500 4.840 4.340 0.000 0.000 0.273 479 L C -1.677 174.983 176.870 -0.349 0.000 0.990 479 L CA -0.596 54.127 54.840 -0.195 0.000 0.821 479 L CB 1.109 43.082 42.059 -0.143 0.000 1.279 479 L HN 0.240 nan 8.230 nan 0.000 0.412 480 Y N 2.836 123.084 120.300 -0.087 0.000 2.334 480 Y HA 0.627 5.177 4.550 0.000 0.000 0.336 480 Y C 0.246 176.025 175.900 -0.202 0.000 0.960 480 Y CA -0.582 57.443 58.100 -0.125 0.000 1.164 480 Y CB 1.928 40.293 38.460 -0.158 0.000 1.155 480 Y HN 0.644 nan 8.280 nan 0.000 0.478 481 T N 1.985 116.515 114.554 -0.039 0.000 2.841 481 T HA 0.586 4.936 4.350 0.000 0.000 0.283 481 T C -1.020 173.555 174.700 -0.208 0.000 1.000 481 T CA -0.858 61.149 62.100 -0.155 0.000 0.977 481 T CB 1.518 70.329 68.868 -0.096 0.000 0.979 481 T HN 0.589 nan 8.240 nan 0.000 0.446 482 L N 3.881 124.888 121.223 -0.360 0.000 2.275 482 L HA 0.511 4.851 4.340 0.000 0.000 0.288 482 L C -0.462 176.095 176.870 -0.521 0.000 1.046 482 L CA -0.732 53.934 54.840 -0.289 0.000 0.805 482 L CB 0.562 42.526 42.059 -0.158 0.000 1.193 482 L HN 0.788 nan 8.230 nan 0.000 0.426 483 H N 2.181 120.958 119.070 -0.488 0.000 2.622 483 H HA 0.323 4.879 4.556 0.000 0.000 0.363 483 H C -0.567 174.492 175.328 -0.448 0.000 1.151 483 H CA -0.820 54.858 56.048 -0.616 0.000 1.184 483 H CB 2.167 31.228 29.762 -1.168 0.000 1.643 483 H HN 0.549 nan 8.280 nan 0.000 0.531 484 S N 0.482 116.133 115.700 -0.082 0.000 2.457 484 S HA 0.089 4.559 4.470 0.000 0.000 0.289 484 S C 1.133 175.762 174.600 0.048 0.000 1.163 484 S CA -0.540 57.617 58.200 -0.073 0.000 1.078 484 S CB 1.338 64.487 63.200 -0.085 0.000 0.987 484 S HN 0.698 nan 8.310 nan 0.000 0.482 485 S N 2.549 118.320 115.700 0.118 0.000 2.489 485 S HA -0.058 4.412 4.470 0.000 0.000 0.228 485 S C 1.501 176.179 174.600 0.130 0.000 0.995 485 S CA 0.461 58.821 58.200 0.267 0.000 0.934 485 S CB -0.727 62.609 63.200 0.227 0.000 0.771 485 S HN 0.575 nan 8.310 nan 0.000 0.522 486 V N 2.302 122.242 119.914 0.044 0.000 2.343 486 V HA -0.034 4.086 4.120 0.000 0.000 0.247 486 V C 1.843 177.964 176.094 0.045 0.000 1.051 486 V CA 1.684 64.011 62.300 0.044 0.000 1.036 486 V CB -0.702 31.125 31.823 0.007 0.000 0.654 486 V HN 0.533 nan 8.190 nan 0.000 0.451 487 N N -1.107 117.613 118.700 0.033 0.000 2.241 487 N HA 0.086 4.826 4.740 0.000 0.000 0.238 487 N C -0.256 175.274 175.510 0.034 0.000 1.244 487 N CA 0.101 53.168 53.050 0.027 0.000 0.880 487 N CB 0.431 38.930 38.487 0.019 0.000 1.179 487 N HN 0.303 nan 8.380 nan 0.000 0.513 488 D N 1.077 121.520 120.400 0.070 0.000 2.737 488 D HA -0.216 4.424 4.640 0.000 0.000 0.233 488 D C 0.216 176.573 176.300 0.095 0.000 1.155 488 D CA 1.088 55.154 54.000 0.110 0.000 0.667 488 D CB -0.872 39.961 40.800 0.054 0.000 1.060 488 D HN 0.600 nan 8.370 nan 0.000 0.427 489 K N -0.647 119.796 120.400 0.072 0.000 2.110 489 K HA 0.576 4.896 4.320 0.000 0.000 0.263 489 K C 0.489 177.112 176.600 0.038 0.000 0.975 489 K CA -0.575 55.746 56.287 0.055 0.000 0.895 489 K CB 1.573 34.081 32.500 0.012 0.000 1.060 489 K HN -0.042 nan 8.250 nan 0.000 0.448 490 G N 3.464 112.256 108.800 -0.014 0.000 2.365 490 G HA2 0.201 4.161 3.960 0.000 0.000 0.293 490 G HA3 0.201 4.161 3.960 0.000 0.000 0.293 490 G C 0.548 175.315 174.900 -0.221 0.000 1.128 490 G CA -0.697 44.227 45.100 -0.292 0.000 0.971 490 G HN 0.678 nan 8.290 nan 0.000 0.422 491 L N 1.824 122.909 121.223 -0.229 0.000 1.973 491 L HA 0.126 4.466 4.340 0.000 0.000 0.208 491 L C 1.903 178.690 176.870 -0.139 0.000 1.073 491 L CA 1.359 56.125 54.840 -0.123 0.000 0.746 491 L CB -0.223 41.811 42.059 -0.041 0.000 0.891 491 L HN 0.720 nan 8.230 nan 0.000 0.433 492 R N -1.958 118.428 120.500 -0.190 0.000 2.766 492 R HA 0.508 4.848 4.340 0.000 0.000 0.270 492 R C -1.481 174.690 176.300 -0.215 0.000 1.035 492 R CA -0.909 55.091 56.100 -0.167 0.000 0.911 492 R CB 1.562 31.792 30.300 -0.117 0.000 1.243 492 R HN -0.267 nan 8.270 nan 0.000 0.460 493 V N 3.080 122.893 119.914 -0.170 0.000 2.368 493 V HA 0.159 4.279 4.120 0.000 0.000 0.266 493 V C 1.384 177.345 176.094 -0.222 0.000 1.045 493 V CA -0.407 61.791 62.300 -0.169 0.000 0.899 493 V CB 0.812 32.572 31.823 -0.105 0.000 1.006 493 V HN 0.649 nan 8.190 nan 0.000 0.470 494 L N 2.573 123.585 121.223 -0.352 0.000 2.049 494 L HA 0.170 4.510 4.340 0.000 0.000 0.203 494 L C 0.918 177.524 176.870 -0.440 0.000 1.074 494 L CA 1.088 55.519 54.840 -0.681 0.000 0.749 494 L CB 0.095 41.365 42.059 -1.315 0.000 0.907 494 L HN 0.630 nan 8.230 nan 0.000 0.439 495 E N -0.300 119.784 120.200 -0.192 0.000 2.291 495 E HA 0.097 4.447 4.350 0.000 0.000 0.276 495 E C -0.939 175.707 176.600 0.077 0.000 0.896 495 E CA -0.374 56.035 56.400 0.015 0.000 0.774 495 E CB 1.292 31.047 29.700 0.092 0.000 1.227 495 E HN 0.175 nan 8.360 nan 0.000 0.413 496 D N 3.074 123.497 120.400 0.039 0.000 2.441 496 D HA 0.093 4.733 4.640 0.000 0.000 0.210 496 D C -0.224 176.084 176.300 0.013 0.000 1.102 496 D CA -0.163 53.845 54.000 0.014 0.000 0.840 496 D CB 0.031 40.822 40.800 -0.015 0.000 0.990 496 D HN 0.430 nan 8.370 nan 0.000 0.505 497 N N 0.399 119.125 118.700 0.044 0.000 2.754 497 N HA -0.193 4.547 4.740 0.000 0.000 0.248 497 N C 0.904 176.422 175.510 0.013 0.000 1.093 497 N CA 0.914 53.987 53.050 0.038 0.000 0.699 497 N CB -1.507 36.999 38.487 0.032 0.000 1.016 497 N HN 0.470 nan 8.380 nan 0.000 0.552 498 S N -1.687 114.021 115.700 0.014 0.000 2.453 498 S HA 0.096 4.566 4.470 0.000 0.000 0.231 498 S C 2.026 176.640 174.600 0.024 0.000 1.005 498 S CA 0.788 58.992 58.200 0.008 0.000 0.949 498 S CB 0.110 63.313 63.200 0.006 0.000 0.774 498 S HN 0.477 nan 8.310 nan 0.000 0.510 499 A N 2.141 124.986 122.820 0.041 0.000 1.858 499 A HA 0.095 4.415 4.320 0.000 0.000 0.216 499 A C 2.202 179.829 177.584 0.071 0.000 1.190 499 A CA 1.542 53.613 52.037 0.056 0.000 0.617 499 A CB -1.001 18.038 19.000 0.064 0.000 0.827 499 A HN 0.528 nan 8.150 nan 0.000 0.443 500 L N 0.347 121.616 121.223 0.076 0.000 2.046 500 L HA -0.177 4.163 4.340 0.000 0.000 0.208 500 L C 2.021 178.918 176.870 0.044 0.000 1.077 500 L CA 2.564 57.461 54.840 0.095 0.000 0.747 500 L CB -0.669 41.449 42.059 0.098 0.000 0.896 500 L HN 0.518 nan 8.230 nan 0.000 0.432 501 D N -0.516 119.885 120.400 0.003 0.000 2.149 501 D HA -0.275 4.365 4.640 0.000 0.000 0.198 501 D C 2.104 178.401 176.300 -0.006 0.000 0.990 501 D CA 1.293 55.276 54.000 -0.028 0.000 0.839 501 D CB 0.175 40.951 40.800 -0.039 0.000 0.948 501 D HN 0.396 nan 8.370 nan 0.000 0.460 502 K N -0.383 120.029 120.400 0.019 0.000 2.057 502 K HA -0.065 4.256 4.320 0.000 0.000 0.206 502 K C 2.435 179.062 176.600 0.046 0.000 1.050 502 K CA 0.691 56.996 56.287 0.030 0.000 0.935 502 K CB 0.069 32.592 32.500 0.039 0.000 0.715 502 K HN 0.142 nan 8.250 nan 0.000 0.439 503 M N 0.209 119.855 119.600 0.075 0.000 2.099 503 M HA -0.148 4.332 4.480 0.000 0.000 0.262 503 M C 1.653 177.969 176.300 0.027 0.000 1.067 503 M CA 1.020 56.395 55.300 0.126 0.000 1.124 503 M CB -0.153 32.611 32.600 0.273 0.000 1.353 503 M HN 0.092 nan 8.290 nan 0.000 0.410 504 L N 0.592 121.775 121.223 -0.066 0.000 2.549 504 L HA -0.136 4.204 4.340 0.000 0.000 0.230 504 L C 2.207 179.032 176.870 -0.075 0.000 1.162 504 L CA 1.495 56.240 54.840 -0.158 0.000 0.834 504 L CB -1.151 40.830 42.059 -0.130 0.000 0.947 504 L HN 0.377 nan 8.230 nan 0.000 0.452 505 Q N -0.040 119.744 119.800 -0.027 0.000 2.167 505 Q HA -0.152 4.189 4.340 0.000 0.000 0.202 505 Q C 1.107 177.112 176.000 0.007 0.000 0.970 505 Q CA 1.463 57.262 55.803 -0.007 0.000 0.855 505 Q CB 0.016 28.758 28.738 0.007 0.000 0.911 505 Q HN 0.663 nan 8.270 nan 0.000 0.438 506 N N -1.213 117.499 118.700 0.021 0.000 2.214 506 N HA 0.053 4.793 4.740 0.000 0.000 0.214 506 N C -0.645 174.893 175.510 0.046 0.000 1.132 506 N CA -0.037 53.037 53.050 0.040 0.000 0.856 506 N CB 0.452 38.972 38.487 0.054 0.000 1.020 506 N HN -0.153 nan 8.380 nan 0.000 0.509 507 V N 1.048 120.967 119.914 0.008 0.000 2.439 507 V HA 0.223 4.343 4.120 0.000 0.000 0.282 507 V C 0.361 176.457 176.094 0.003 0.000 1.039 507 V CA -0.738 61.565 62.300 0.006 0.000 0.913 507 V CB 1.393 33.150 31.823 -0.110 0.000 0.983 507 V HN 0.189 nan 8.190 nan 0.000 0.460 508 Q N 4.653 124.475 119.800 0.038 0.000 2.489 508 Q HA 0.252 4.592 4.340 0.000 0.000 0.231 508 Q C -0.357 175.627 176.000 -0.026 0.000 1.273 508 Q CA -0.066 55.739 55.803 0.004 0.000 0.898 508 Q CB 0.257 29.032 28.738 0.062 0.000 1.545 508 Q HN 0.564 nan 8.270 nan 0.000 0.538 509 M N 3.649 123.211 119.600 -0.063 0.000 2.274 509 M HA 0.354 4.834 4.480 0.000 0.000 0.344 509 M C -1.935 174.297 176.300 -0.113 0.000 1.161 509 M CA -2.429 52.824 55.300 -0.078 0.000 1.126 509 M CB 0.184 32.744 32.600 -0.067 0.000 1.522 509 M HN 0.290 nan 8.290 nan 0.000 0.461 510 P HA 0.208 nan 4.420 nan 0.000 0.274 510 P C -0.729 176.483 177.300 -0.147 0.000 1.260 510 P CA -0.303 62.699 63.100 -0.162 0.000 0.793 510 P CB 0.412 31.997 31.700 -0.192 0.000 1.048 511 S N -1.310 114.288 115.700 -0.171 0.000 2.689 511 S HA 0.578 5.048 4.470 0.000 0.000 0.306 511 S C -0.587 173.916 174.600 -0.163 0.000 1.104 511 S CA -0.876 57.241 58.200 -0.138 0.000 0.973 511 S CB 1.878 65.003 63.200 -0.125 0.000 1.121 511 S HN 0.451 nan 8.310 nan 0.000 0.523 512 K N 0.715 121.047 120.400 -0.112 0.000 2.323 512 K HA 0.355 4.676 4.320 0.000 0.000 0.259 512 K C -1.194 175.353 176.600 -0.088 0.000 0.947 512 K CA -0.469 55.754 56.287 -0.106 0.000 0.819 512 K CB 1.260 33.719 32.500 -0.069 0.000 1.109 512 K HN 0.693 nan 8.250 nan 0.000 0.429 513 K N 5.447 125.785 120.400 -0.103 0.000 2.213 513 K HA 0.267 4.587 4.320 0.000 0.000 0.270 513 K C -1.189 175.368 176.600 -0.071 0.000 1.002 513 K CA -0.646 55.599 56.287 -0.071 0.000 0.868 513 K CB 0.857 33.319 32.500 -0.063 0.000 1.093 513 K HN 0.461 nan 8.250 nan 0.000 0.454 514 L N 5.132 126.327 121.223 -0.048 0.000 2.345 514 L HA 0.438 4.778 4.340 0.000 0.000 0.274 514 L C -1.357 175.533 176.870 0.034 0.000 0.999 514 L CA -0.034 54.800 54.840 -0.009 0.000 0.849 514 L CB 1.006 43.109 42.059 0.074 0.000 1.220 514 L HN 0.854 nan 8.230 nan 0.000 0.422 515 D N 3.555 123.790 120.400 -0.275 0.000 2.812 515 D HA 0.524 5.164 4.640 0.000 0.000 0.318 515 D C -1.381 174.623 176.300 -0.494 0.000 1.234 515 D CA 0.011 53.816 54.000 -0.325 0.000 0.989 515 D CB 2.428 42.994 40.800 -0.389 0.000 1.442 515 D HN 0.261 nan 8.370 nan 0.000 0.537 516 F N 0.027 119.660 119.950 -0.529 0.000 2.588 516 F HA 0.689 5.216 4.527 0.000 0.000 0.314 516 F C -0.523 175.319 175.800 0.068 0.000 1.069 516 F CA -1.138 56.596 58.000 -0.442 0.000 0.931 516 F CB 0.819 39.023 39.000 -1.327 0.000 1.260 516 F HN 0.242 nan 8.300 nan 0.000 0.465 517 I N 0.471 121.298 120.570 0.429 0.000 2.750 517 I HA 0.684 4.854 4.170 0.000 0.000 0.308 517 I C -1.255 175.091 176.117 0.383 0.000 1.016 517 I CA -1.130 60.365 61.300 0.325 0.000 1.098 517 I CB 2.264 40.424 38.000 0.266 0.000 1.279 517 I HN 0.655 nan 8.210 nan 0.000 0.454 518 I N 5.246 125.979 120.570 0.272 0.000 2.339 518 I HA 0.399 4.570 4.170 0.000 0.000 0.290 518 I C -0.834 175.407 176.117 0.207 0.000 0.994 518 I CA -0.510 60.934 61.300 0.240 0.000 1.191 518 I CB 1.505 39.616 38.000 0.184 0.000 1.343 518 I HN 0.409 nan 8.210 nan 0.000 0.458 519 L N 6.837 128.229 121.223 0.282 0.000 2.372 519 L HA 0.456 4.796 4.340 0.000 0.000 0.274 519 L C -0.498 176.500 176.870 0.214 0.000 0.988 519 L CA -0.895 54.082 54.840 0.229 0.000 0.833 519 L CB 1.412 43.617 42.059 0.244 0.000 1.236 519 L HN 0.603 nan 8.230 nan 0.000 0.410 520 N N 2.948 121.720 118.700 0.120 0.000 2.671 520 N HA -0.210 4.530 4.740 0.000 0.000 0.261 520 N C 0.241 175.798 175.510 0.077 0.000 1.053 520 N CA 1.297 54.398 53.050 0.086 0.000 0.732 520 N CB -0.845 37.689 38.487 0.079 0.000 0.887 520 N HN 0.992 nan 8.380 nan 0.000 0.546 521 E N -3.293 116.944 120.200 0.062 0.000 2.202 521 E HA -0.311 4.039 4.350 0.000 0.000 0.214 521 E C -1.000 175.603 176.600 0.005 0.000 1.303 521 E CA 1.167 57.587 56.400 0.034 0.000 0.714 521 E CB -2.059 27.653 29.700 0.019 0.000 1.130 521 E HN 0.476 nan 8.360 nan 0.000 0.356 522 T N 0.602 115.162 114.554 0.010 0.000 2.921 522 T HA 0.327 4.677 4.350 0.000 0.000 0.297 522 T C -0.323 174.256 174.700 -0.201 0.000 1.013 522 T CA -0.958 61.058 62.100 -0.141 0.000 0.990 522 T CB 1.692 70.431 68.868 -0.214 0.000 1.023 522 T HN 0.121 nan 8.240 nan 0.000 0.447 523 K N 2.224 122.439 120.400 -0.309 0.000 2.383 523 K HA 0.369 4.689 4.320 0.000 0.000 0.286 523 K C -1.101 175.252 176.600 -0.412 0.000 1.051 523 K CA 0.067 56.160 56.287 -0.324 0.000 0.974 523 K CB 0.271 32.487 32.500 -0.474 0.000 0.968 523 K HN 0.396 nan 8.250 nan 0.000 0.475 524 F N 2.719 122.710 119.950 0.069 0.000 2.460 524 F HA 0.280 4.807 4.527 0.000 0.000 0.341 524 F C -0.565 175.309 175.800 0.123 0.000 1.130 524 F CA -0.773 57.287 58.000 0.101 0.000 0.962 524 F CB 0.882 40.005 39.000 0.206 0.000 1.171 524 F HN 0.426 nan 8.300 nan 0.000 0.436 525 W N 4.394 125.827 121.300 0.222 0.000 2.316 525 W HA 0.481 5.141 4.660 0.000 0.000 0.321 525 W C -0.434 176.257 176.519 0.288 0.000 1.203 525 W CA -0.584 56.915 57.345 0.257 0.000 1.214 525 W CB 0.637 30.187 29.460 0.150 0.000 1.169 525 W HN 0.460 nan 8.180 nan 0.000 0.561 526 Y N 0.152 120.785 120.300 0.555 0.000 2.602 526 Y HA 0.710 5.260 4.550 0.000 0.000 0.342 526 Y C -0.731 175.400 175.900 0.385 0.000 1.029 526 Y CA -1.820 56.605 58.100 0.542 0.000 1.080 526 Y CB 1.198 40.128 38.460 0.783 0.000 1.284 526 Y HN 0.555 nan 8.280 nan 0.000 0.485 527 Q N 1.963 122.004 119.800 0.403 0.000 2.423 527 Q HA 0.696 5.036 4.340 0.000 0.000 0.278 527 Q C -1.803 174.318 176.000 0.202 0.000 1.097 527 Q CA -1.162 54.752 55.803 0.186 0.000 0.809 527 Q CB 3.142 31.945 28.738 0.107 0.000 1.391 527 Q HN 0.888 nan 8.270 nan 0.000 0.428 528 M N 2.759 122.399 119.600 0.067 0.000 2.142 528 M HA 0.390 4.870 4.480 0.000 0.000 0.299 528 M C -1.192 175.014 176.300 -0.156 0.000 0.960 528 M CA -0.876 54.384 55.300 -0.068 0.000 0.920 528 M CB 1.908 34.436 32.600 -0.119 0.000 1.541 528 M HN 0.603 nan 8.290 nan 0.000 0.429 529 I N 5.440 125.916 120.570 -0.157 0.000 2.436 529 I HA 0.246 4.416 4.170 0.000 0.000 0.289 529 I C -0.435 175.504 176.117 -0.296 0.000 1.083 529 I CA 0.024 61.203 61.300 -0.202 0.000 1.372 529 I CB -0.231 37.671 38.000 -0.163 0.000 1.408 529 I HN 0.638 nan 8.210 nan 0.000 0.516 530 L N 8.663 129.660 121.223 -0.377 0.000 2.333 530 L HA 0.462 4.802 4.340 0.000 0.000 0.280 530 L C -2.245 174.389 176.870 -0.394 0.000 1.004 530 L CA -1.865 52.633 54.840 -0.571 0.000 0.820 530 L CB 1.748 43.260 42.059 -0.912 0.000 1.247 530 L HN 0.290 nan 8.230 nan 0.000 0.416 531 P HA -0.014 nan 4.420 nan 0.000 0.267 531 P C -2.407 174.819 177.300 -0.122 0.000 1.195 531 P CA -0.611 62.378 63.100 -0.185 0.000 0.773 531 P CB -0.317 31.303 31.700 -0.133 0.000 0.837 532 P HA -0.108 nan 4.420 nan 0.000 0.267 532 P C -0.025 177.192 177.300 -0.139 0.000 1.201 532 P CA 0.802 63.760 63.100 -0.236 0.000 0.775 532 P CB -0.035 31.491 31.700 -0.291 0.000 0.854 533 H N -1.749 117.355 119.070 0.057 0.000 2.820 533 H HA -0.203 4.353 4.556 0.000 0.000 0.295 533 H C 0.189 175.576 175.328 0.099 0.000 1.187 533 H CA 0.124 56.211 56.048 0.065 0.000 1.144 533 H CB -2.459 27.336 29.762 0.055 0.000 1.354 533 H HN 0.398 nan 8.280 nan 0.000 0.395 534 F N 2.729 122.660 119.950 -0.032 0.000 2.604 534 F HA 0.090 4.618 4.527 0.000 0.000 0.393 534 F C 0.546 176.344 175.800 -0.003 0.000 1.043 534 F CA 0.171 58.108 58.000 -0.104 0.000 1.227 534 F CB 0.440 39.281 39.000 -0.266 0.000 1.016 534 F HN 0.164 nan 8.300 nan 0.000 0.556 535 D N 5.814 125.893 120.400 -0.535 0.000 2.505 535 D HA 0.177 4.817 4.640 0.000 0.000 0.250 535 D C 0.453 176.417 176.300 -0.559 0.000 1.164 535 D CA -0.460 53.288 54.000 -0.420 0.000 0.870 535 D CB 1.560 42.300 40.800 -0.100 0.000 1.160 535 D HN 0.614 nan 8.370 nan 0.000 0.549 536 K N 0.546 120.587 120.400 -0.600 0.000 2.362 536 K HA -0.017 4.303 4.320 0.000 0.000 0.200 536 K C 1.585 178.168 176.600 -0.029 0.000 1.046 536 K CA 0.699 56.809 56.287 -0.296 0.000 0.952 536 K CB 0.299 32.725 32.500 -0.124 0.000 0.753 536 K HN 0.185 nan 8.250 nan 0.000 0.466 537 S N 0.436 116.089 115.700 -0.077 0.000 2.515 537 S HA 0.009 4.479 4.470 0.000 0.000 0.231 537 S C 0.440 175.004 174.600 -0.059 0.000 0.987 537 S CA 0.763 58.937 58.200 -0.044 0.000 0.936 537 S CB 0.081 63.248 63.200 -0.055 0.000 0.766 537 S HN 0.098 nan 8.310 nan 0.000 0.528 538 K N 1.863 122.207 120.400 -0.094 0.000 2.095 538 K HA 0.382 4.702 4.320 0.000 0.000 0.252 538 K C -0.178 176.315 176.600 -0.179 0.000 0.977 538 K CA -0.214 55.938 56.287 -0.225 0.000 0.900 538 K CB 0.582 32.800 32.500 -0.471 0.000 1.060 538 K HN -0.122 nan 8.250 nan 0.000 0.449 539 K N 2.799 123.048 120.400 -0.252 0.000 2.316 539 K HA 0.243 4.563 4.320 0.000 0.000 0.267 539 K C -0.895 175.575 176.600 -0.217 0.000 1.025 539 K CA -0.487 55.729 56.287 -0.118 0.000 0.896 539 K CB 0.871 33.320 32.500 -0.085 0.000 1.124 539 K HN 0.466 nan 8.250 nan 0.000 0.451 540 Y N 2.593 122.938 120.300 0.075 0.000 2.352 540 Y HA 0.245 4.795 4.550 0.000 0.000 0.326 540 Y C -1.885 173.962 175.900 -0.087 0.000 1.166 540 Y CA -2.434 55.682 58.100 0.027 0.000 1.182 540 Y CB 0.617 39.153 38.460 0.127 0.000 1.216 540 Y HN 0.453 nan 8.280 nan 0.000 0.474 541 P HA 0.154 nan 4.420 nan 0.000 0.271 541 P C -1.079 176.107 177.300 -0.191 0.000 1.218 541 P CA -0.170 62.669 63.100 -0.435 0.000 0.780 541 P CB 0.815 31.911 31.700 -1.008 0.000 0.901 542 L N 3.037 124.181 121.223 -0.132 0.000 2.385 542 L HA 0.571 4.911 4.340 0.000 0.000 0.273 542 L C -1.311 175.735 176.870 0.294 0.000 0.990 542 L CA -1.112 53.781 54.840 0.089 0.000 0.821 542 L CB 1.696 43.812 42.059 0.094 0.000 1.279 542 L HN 0.143 nan 8.230 nan 0.000 0.412 543 L N 5.293 126.709 121.223 0.322 0.000 2.305 543 L HA 0.475 4.815 4.340 0.000 0.000 0.284 543 L C -1.124 175.970 176.870 0.374 0.000 1.013 543 L CA -0.316 54.774 54.840 0.416 0.000 0.819 543 L CB 1.510 43.774 42.059 0.342 0.000 1.227 543 L HN 0.591 nan 8.230 nan 0.000 0.417 544 L N 5.255 126.748 121.223 0.451 0.000 2.363 544 L HA 0.314 4.654 4.340 0.000 0.000 0.286 544 L C -0.344 176.751 176.870 0.374 0.000 1.106 544 L CA 0.256 55.352 54.840 0.427 0.000 0.859 544 L CB 0.119 42.489 42.059 0.519 0.000 1.223 544 L HN 0.601 nan 8.230 nan 0.000 0.446 545 D N 4.272 124.865 120.400 0.323 0.000 2.336 545 D HA 0.253 4.893 4.640 0.000 0.000 0.249 545 D C -0.718 175.652 176.300 0.116 0.000 1.213 545 D CA -0.081 54.023 54.000 0.173 0.000 0.870 545 D CB 0.887 41.847 40.800 0.266 0.000 1.076 545 D HN 0.261 nan 8.370 nan 0.000 0.483 546 V N 2.839 122.754 119.914 0.002 0.000 2.604 546 V HA 0.481 4.601 4.120 0.000 0.000 0.305 546 V C -0.464 175.716 176.094 0.142 0.000 1.043 546 V CA -0.687 61.679 62.300 0.110 0.000 0.888 546 V CB 1.415 33.305 31.823 0.112 0.000 0.995 546 V HN 0.591 nan 8.190 nan 0.000 0.429 547 Y N 4.313 124.676 120.300 0.106 0.000 2.891 547 Y HA 0.560 5.110 4.550 0.000 0.000 0.228 547 Y C 1.896 177.921 175.900 0.208 0.000 1.000 547 Y CA 1.325 59.514 58.100 0.148 0.000 1.491 547 Y CB 0.291 38.821 38.460 0.115 0.000 1.394 547 Y HN 1.190 nan 8.280 nan 0.000 0.477 548 A N 0.928 123.832 122.820 0.140 0.000 2.847 548 A HA -0.177 4.143 4.320 0.000 0.000 0.263 548 A C 0.855 178.249 177.584 -0.316 0.000 1.391 548 A CA 0.765 52.829 52.037 0.045 0.000 0.866 548 A CB -2.480 16.614 19.000 0.157 0.000 1.057 548 A HN 0.872 nan 8.150 nan 0.000 0.673 549 G N -0.860 107.517 108.800 -0.704 0.000 2.636 549 G HA2 0.458 4.418 3.960 0.000 0.000 0.246 549 G HA3 0.458 4.418 3.960 0.000 0.000 0.246 549 G C -2.186 172.448 174.900 -0.443 0.000 1.216 549 G CA -0.702 43.711 45.100 -1.145 0.000 0.854 549 G HN 0.312 nan 8.290 nan 0.000 0.572 550 P HA 0.078 nan 4.420 nan 0.000 0.263 550 P C 0.570 177.815 177.300 -0.092 0.000 1.195 550 P CA 0.120 62.988 63.100 -0.388 0.000 0.762 550 P CB 0.655 31.666 31.700 -1.148 0.000 0.799 551 C N 2.779 122.064 119.300 -0.025 0.000 4.432 551 C HA -0.148 4.312 4.460 0.000 0.000 0.294 551 C C 0.867 175.915 174.990 0.095 0.000 1.398 551 C CA 0.984 59.941 59.018 -0.101 0.000 1.988 551 C CB -2.775 24.713 27.740 -0.419 0.000 1.251 551 C HN 0.762 nan 8.230 nan 0.000 0.791 552 S N 0.075 115.892 115.700 0.196 0.000 2.603 552 S HA 0.538 5.008 4.470 0.000 0.000 0.268 552 S C -0.573 174.223 174.600 0.327 0.000 1.317 552 S CA -0.030 58.368 58.200 0.330 0.000 1.012 552 S CB 1.628 65.070 63.200 0.404 0.000 0.926 552 S HN 0.801 nan 8.310 nan 0.000 0.539 553 Q N 0.014 120.025 119.800 0.352 0.000 2.294 553 Q HA 0.357 4.697 4.340 0.000 0.000 0.264 553 Q C -0.422 175.708 176.000 0.217 0.000 0.992 553 Q CA -0.646 55.336 55.803 0.299 0.000 0.747 553 Q CB 1.018 29.956 28.738 0.334 0.000 1.262 553 Q HN 0.632 nan 8.270 nan 0.000 0.452 554 K N 0.962 121.487 120.400 0.209 0.000 2.354 554 K HA 0.319 4.640 4.320 0.000 0.000 0.194 554 K C -0.235 176.462 176.600 0.161 0.000 1.045 554 K CA 0.344 56.741 56.287 0.183 0.000 1.026 554 K CB 1.217 33.854 32.500 0.228 0.000 0.866 554 K HN 0.528 nan 8.250 nan 0.000 0.530 555 A N 2.766 125.692 122.820 0.176 0.000 2.258 555 A HA 0.464 4.784 4.320 0.000 0.000 0.316 555 A C -0.694 176.945 177.584 0.093 0.000 1.279 555 A CA -0.446 51.690 52.037 0.165 0.000 0.876 555 A CB 0.277 19.434 19.000 0.262 0.000 1.170 555 A HN 0.278 nan 8.150 nan 0.000 0.520 556 D N -0.157 120.267 120.400 0.041 0.000 2.946 556 D HA 0.359 4.999 4.640 0.000 0.000 0.337 556 D C 0.257 176.543 176.300 -0.024 0.000 1.332 556 D CA 0.347 54.351 54.000 0.007 0.000 0.935 556 D CB 0.118 40.922 40.800 0.008 0.000 1.440 556 D HN 0.235 nan 8.370 nan 0.000 0.540 557 T N -2.122 112.423 114.554 -0.014 0.000 3.186 557 T HA 0.363 4.713 4.350 0.000 0.000 0.257 557 T C 0.313 174.938 174.700 -0.125 0.000 1.029 557 T CA -0.371 61.720 62.100 -0.015 0.000 0.916 557 T CB -0.657 68.262 68.868 0.085 0.000 1.041 557 T HN 0.306 nan 8.240 nan 0.000 0.562 558 V N 2.587 122.313 119.914 -0.313 0.000 2.555 558 V HA 0.309 4.429 4.120 0.000 0.000 0.286 558 V C 0.146 176.172 176.094 -0.113 0.000 1.044 558 V CA -1.036 61.068 62.300 -0.327 0.000 1.026 558 V CB -0.161 31.370 31.823 -0.487 0.000 0.981 558 V HN 0.541 nan 8.190 nan 0.000 0.480 559 F N 6.516 126.366 119.950 -0.167 0.000 2.472 559 F HA 0.454 4.981 4.527 0.000 0.000 0.364 559 F C 0.625 176.366 175.800 -0.098 0.000 1.090 559 F CA 0.015 57.944 58.000 -0.118 0.000 1.188 559 F CB 0.135 39.076 39.000 -0.099 0.000 1.105 559 F HN 0.445 nan 8.300 nan 0.000 0.536 560 R N 6.106 126.194 120.500 -0.687 0.000 2.740 560 R HA 0.627 4.967 4.340 0.000 0.000 0.282 560 R C -1.512 174.378 176.300 -0.683 0.000 0.969 560 R CA -1.103 54.710 56.100 -0.479 0.000 0.918 560 R CB 2.039 32.186 30.300 -0.255 0.000 1.175 560 R HN 0.650 nan 8.270 nan 0.000 0.464 561 L N 3.881 124.903 121.223 -0.334 0.000 2.345 561 L HA 0.433 4.773 4.340 0.000 0.000 0.274 561 L C -0.738 176.135 176.870 0.005 0.000 0.999 561 L CA -0.678 54.016 54.840 -0.245 0.000 0.849 561 L CB 0.888 42.932 42.059 -0.024 0.000 1.220 561 L HN 0.777 nan 8.230 nan 0.000 0.422 562 N N 0.327 118.957 118.700 -0.117 0.000 3.506 562 N HA 0.178 4.918 4.740 0.000 0.000 0.331 562 N C 0.114 175.313 175.510 -0.518 0.000 1.631 562 N CA -0.884 52.025 53.050 -0.234 0.000 0.786 562 N CB 0.185 38.617 38.487 -0.092 0.000 2.023 562 N HN 0.339 nan 8.380 nan 0.000 0.621 563 W N 0.597 121.317 121.300 -0.966 0.000 2.363 563 W HA 0.223 4.883 4.660 0.000 0.000 0.296 563 W C 2.031 178.489 176.519 -0.102 0.000 1.212 563 W CA 2.697 59.692 57.345 -0.584 0.000 1.260 563 W CB -0.939 28.274 29.460 -0.411 0.000 1.131 563 W HN 0.700 nan 8.180 nan 0.000 0.530 564 A N -0.429 122.335 122.820 -0.094 0.000 1.933 564 A HA -0.201 4.119 4.320 0.000 0.000 0.218 564 A C 1.938 179.394 177.584 -0.212 0.000 1.175 564 A CA 2.469 54.397 52.037 -0.183 0.000 0.628 564 A CB -1.278 17.701 19.000 -0.035 0.000 0.814 564 A HN 0.297 nan 8.150 nan 0.000 0.444 565 T N -1.211 113.224 114.554 -0.200 0.000 2.684 565 T HA -0.239 4.111 4.350 0.000 0.000 0.267 565 T C 1.781 176.451 174.700 -0.050 0.000 1.036 565 T CA 1.712 63.653 62.100 -0.265 0.000 1.148 565 T CB -0.580 67.936 68.868 -0.586 0.000 0.863 565 T HN 0.692 nan 8.240 nan 0.000 0.436 566 Y N 1.893 122.244 120.300 0.084 0.000 2.128 566 Y HA -0.113 4.438 4.550 0.000 0.000 0.284 566 Y C 2.051 177.935 175.900 -0.027 0.000 1.154 566 Y CA 1.131 59.346 58.100 0.192 0.000 1.149 566 Y CB -0.504 38.065 38.460 0.181 0.000 0.976 566 Y HN 0.094 nan 8.280 nan 0.000 0.505 567 L N 0.284 121.095 121.223 -0.688 0.000 2.046 567 L HA -0.209 4.131 4.340 0.000 0.000 0.208 567 L C 2.857 179.470 176.870 -0.429 0.000 1.077 567 L CA 1.225 55.583 54.840 -0.802 0.000 0.747 567 L CB -0.875 40.752 42.059 -0.718 0.000 0.896 567 L HN 0.436 nan 8.230 nan 0.000 0.432 568 A N -1.369 121.278 122.820 -0.289 0.000 1.898 568 A HA -0.154 4.166 4.320 0.000 0.000 0.214 568 A C 2.509 180.011 177.584 -0.137 0.000 1.183 568 A CA 1.661 53.578 52.037 -0.199 0.000 0.622 568 A CB -0.475 18.399 19.000 -0.209 0.000 0.824 568 A HN 0.319 nan 8.150 nan 0.000 0.444 569 S N -1.347 114.292 115.700 -0.102 0.000 2.371 569 S HA -0.088 4.382 4.470 0.000 0.000 0.224 569 S C 1.975 176.593 174.600 0.031 0.000 1.029 569 S CA 2.111 60.307 58.200 -0.007 0.000 0.978 569 S CB -0.281 62.970 63.200 0.084 0.000 0.833 569 S HN 0.556 nan 8.310 nan 0.000 0.466 570 T N 1.105 115.655 114.554 -0.006 0.000 3.021 570 T HA 0.188 4.538 4.350 0.000 0.000 0.245 570 T C 1.235 175.922 174.700 -0.022 0.000 1.028 570 T CA 0.488 62.613 62.100 0.040 0.000 1.139 570 T CB -0.019 68.960 68.868 0.186 0.000 0.884 570 T HN 0.304 nan 8.240 nan 0.000 0.457 571 E N 1.218 121.323 120.200 -0.160 0.000 2.481 571 E HA 0.190 4.540 4.350 0.000 0.000 0.198 571 E C -0.136 176.456 176.600 -0.013 0.000 1.027 571 E CA -0.099 56.243 56.400 -0.096 0.000 0.900 571 E CB -0.238 29.342 29.700 -0.200 0.000 0.993 571 E HN 0.526 nan 8.360 nan 0.000 0.482 572 N N 0.870 119.566 118.700 -0.006 0.000 2.725 572 N HA -0.195 4.545 4.740 0.000 0.000 0.251 572 N C -0.853 174.727 175.510 0.116 0.000 1.031 572 N CA 0.237 53.339 53.050 0.087 0.000 0.720 572 N CB -1.222 37.385 38.487 0.199 0.000 0.930 572 N HN 0.217 nan 8.380 nan 0.000 0.543 573 I N 0.894 121.466 120.570 0.003 0.000 2.377 573 I HA 0.341 4.511 4.170 0.000 0.000 0.293 573 I C 0.654 176.732 176.117 -0.066 0.000 0.987 573 I CA -0.844 60.469 61.300 0.023 0.000 1.185 573 I CB 1.274 39.315 38.000 0.069 0.000 1.341 573 I HN 0.048 nan 8.210 nan 0.000 0.455 574 I N 6.457 126.992 120.570 -0.058 0.000 2.496 574 I HA 0.120 4.290 4.170 0.000 0.000 0.285 574 I C -0.348 175.738 176.117 -0.053 0.000 1.080 574 I CA -0.247 60.973 61.300 -0.133 0.000 1.404 574 I CB 0.809 38.727 38.000 -0.137 0.000 1.403 574 I HN 0.209 nan 8.210 nan 0.000 0.539 575 V N 6.598 126.464 119.914 -0.080 0.000 2.357 575 V HA 0.635 4.755 4.120 0.000 0.000 0.284 575 V C 0.252 176.350 176.094 0.007 0.000 1.018 575 V CA -0.478 61.826 62.300 0.007 0.000 0.841 575 V CB 1.165 32.989 31.823 0.001 0.000 0.991 575 V HN 0.839 nan 8.190 nan 0.000 0.437 576 A N 3.891 126.746 122.820 0.058 0.000 2.355 576 A HA 0.937 5.257 4.320 0.000 0.000 0.324 576 A C -0.185 177.535 177.584 0.226 0.000 1.117 576 A CA -0.496 51.561 52.037 0.033 0.000 0.785 576 A CB 1.706 20.527 19.000 -0.298 0.000 1.254 576 A HN 0.685 nan 8.150 nan 0.000 0.453 577 S N 0.046 115.926 115.700 0.300 0.000 2.548 577 S HA 0.778 5.248 4.470 0.000 0.000 0.286 577 S C -1.391 173.561 174.600 0.586 0.000 1.098 577 S CA -0.309 58.124 58.200 0.389 0.000 0.930 577 S CB 1.326 64.694 63.200 0.280 0.000 1.070 577 S HN 0.724 nan 8.310 nan 0.000 0.480 578 F N 1.672 121.860 119.950 0.397 0.000 2.569 578 F HA 0.457 4.984 4.527 0.000 0.000 0.312 578 F C -1.433 174.571 175.800 0.340 0.000 1.109 578 F CA -0.763 57.491 58.000 0.423 0.000 0.919 578 F CB 1.529 40.753 39.000 0.372 0.000 1.211 578 F HN 0.390 nan 8.300 nan 0.000 0.446 579 D N 4.637 124.811 120.400 -0.376 0.000 2.485 579 D HA 0.322 4.963 4.640 0.000 0.000 0.221 579 D C 0.458 176.516 176.300 -0.403 0.000 1.112 579 D CA 0.155 54.048 54.000 -0.179 0.000 0.911 579 D CB 1.275 42.123 40.800 0.080 0.000 1.019 579 D HN 0.753 nan 8.370 nan 0.000 0.516 580 G N 1.168 109.836 108.800 -0.220 0.000 2.531 580 G HA2 0.239 4.199 3.960 0.000 0.000 0.253 580 G HA3 0.239 4.199 3.960 0.000 0.000 0.253 580 G C 0.209 175.163 174.900 0.091 0.000 1.439 580 G CA -0.674 44.347 45.100 -0.131 0.000 1.056 580 G HN 0.285 nan 8.290 nan 0.000 0.555 581 R N -0.700 119.837 120.500 0.062 0.000 2.537 581 R HA 0.401 4.741 4.340 0.000 0.000 0.280 581 R C 1.108 177.530 176.300 0.204 0.000 1.058 581 R CA 1.323 57.547 56.100 0.207 0.000 1.057 581 R CB 0.647 31.046 30.300 0.164 0.000 0.973 581 R HN 0.991 nan 8.270 nan 0.000 0.438 582 G N 1.130 110.046 108.800 0.194 0.000 2.238 582 G HA2 -0.304 3.656 3.960 0.000 0.000 0.217 582 G HA3 -0.304 3.656 3.960 0.000 0.000 0.217 582 G C 0.163 175.129 174.900 0.109 0.000 0.996 582 G CA 0.083 45.276 45.100 0.154 0.000 0.632 582 G HN 0.705 nan 8.290 nan 0.000 0.503 583 S N 0.221 115.996 115.700 0.125 0.000 2.624 583 S HA 0.726 5.196 4.470 0.000 0.000 0.263 583 S C 0.816 175.442 174.600 0.044 0.000 1.287 583 S CA 0.476 58.742 58.200 0.110 0.000 0.990 583 S CB 1.757 65.052 63.200 0.158 0.000 0.950 583 S HN 1.654 nan 8.310 nan 0.000 0.561 584 G N -1.414 107.386 108.800 -0.000 0.000 2.601 584 G HA2 0.513 4.473 3.960 0.000 0.000 0.317 584 G HA3 0.513 4.473 3.960 0.000 0.000 0.317 584 G C -0.986 173.849 174.900 -0.109 0.000 1.246 584 G CA -1.108 43.826 45.100 -0.276 0.000 1.012 584 G HN 1.017 nan 8.290 nan 0.000 0.494 585 Y N -2.255 118.041 120.300 -0.006 0.000 4.177 585 Y HA -0.228 4.322 4.550 0.000 0.000 0.227 585 Y C 1.210 177.111 175.900 0.001 0.000 1.154 585 Y CA 1.007 59.109 58.100 0.003 0.000 1.887 585 Y CB -2.062 36.424 38.460 0.044 0.000 1.594 585 Y HN 0.512 nan 8.280 nan 0.000 0.668 586 Q N -0.040 119.761 119.800 0.001 0.000 2.055 586 Q HA 0.489 4.830 4.340 0.000 0.000 0.226 586 Q C 0.834 176.620 176.000 -0.357 0.000 0.805 586 Q CA 0.138 55.931 55.803 -0.017 0.000 1.072 586 Q CB 1.683 30.437 28.738 0.028 0.000 1.219 586 Q HN 0.594 nan 8.270 nan 0.000 0.451 587 G N 0.776 109.193 108.800 -0.639 0.000 2.699 587 G HA2 -0.201 3.759 3.960 0.000 0.000 0.686 587 G HA3 -0.201 3.759 3.960 0.000 0.000 0.686 587 G C -0.405 174.118 174.900 -0.629 0.000 1.301 587 G CA -0.483 43.984 45.100 -1.055 0.000 0.816 587 G HN 0.146 nan 8.290 nan 0.000 0.595 588 D N 0.063 120.077 120.400 -0.645 0.000 2.264 588 D HA -0.075 4.565 4.640 0.000 0.000 0.208 588 D C 2.364 178.381 176.300 -0.472 0.000 0.966 588 D CA 1.233 54.812 54.000 -0.702 0.000 0.864 588 D CB 0.096 40.386 40.800 -0.851 0.000 0.933 588 D HN 0.555 nan 8.370 nan 0.000 0.499 589 K N 1.129 121.322 120.400 -0.344 0.000 2.097 589 K HA -0.123 4.197 4.320 0.000 0.000 0.206 589 K C 1.943 178.482 176.600 -0.101 0.000 1.049 589 K CA 0.831 57.006 56.287 -0.187 0.000 0.933 589 K CB -0.301 32.111 32.500 -0.148 0.000 0.717 589 K HN 0.200 nan 8.250 nan 0.000 0.442 590 I N 0.708 121.212 120.570 -0.110 0.000 2.339 590 I HA -0.152 4.018 4.170 0.000 0.000 0.245 590 I C 2.819 178.969 176.117 0.054 0.000 1.096 590 I CA 0.741 62.049 61.300 0.013 0.000 1.408 590 I CB -0.130 37.886 38.000 0.027 0.000 1.092 590 I HN 0.169 nan 8.210 nan 0.000 0.423 591 M N 0.160 119.750 119.600 -0.018 0.000 2.117 591 M HA -0.235 4.245 4.480 0.000 0.000 0.262 591 M C 1.875 178.304 176.300 0.214 0.000 1.065 591 M CA 1.955 57.296 55.300 0.069 0.000 1.114 591 M CB -0.215 32.364 32.600 -0.034 0.000 1.361 591 M HN 0.239 nan 8.290 nan 0.000 0.408 592 H N -0.159 118.813 119.070 -0.164 0.000 2.539 592 H HA 0.288 4.844 4.556 0.000 0.000 0.267 592 H C 1.840 177.194 175.328 0.042 0.000 0.982 592 H CA 0.618 56.566 56.048 -0.165 0.000 1.146 592 H CB -0.448 29.118 29.762 -0.326 0.000 1.382 592 H HN 0.489 nan 8.280 nan 0.000 0.577 593 A N 1.101 124.035 122.820 0.190 0.000 1.986 593 A HA -0.137 4.183 4.320 0.000 0.000 0.220 593 A C 1.980 179.776 177.584 0.353 0.000 1.171 593 A CA 1.609 53.772 52.037 0.210 0.000 0.640 593 A CB -0.767 18.325 19.000 0.154 0.000 0.811 593 A HN 0.563 nan 8.150 nan 0.000 0.451 594 I N -3.460 117.294 120.570 0.306 0.000 3.928 594 I HA 0.168 4.338 4.170 0.000 0.000 0.335 594 I C 0.406 176.617 176.117 0.156 0.000 1.325 594 I CA -0.510 60.927 61.300 0.229 0.000 1.107 594 I CB -0.448 37.654 38.000 0.170 0.000 1.014 594 I HN 0.184 nan 8.210 nan 0.000 0.400 595 N N 3.302 122.144 118.700 0.238 0.000 2.294 595 N HA -0.109 4.631 4.740 0.000 0.000 0.263 595 N C 0.152 175.705 175.510 0.072 0.000 1.281 595 N CA 0.505 53.696 53.050 0.234 0.000 0.846 595 N CB 0.318 38.920 38.487 0.192 0.000 1.061 595 N HN 0.440 nan 8.380 nan 0.000 0.478 596 R N 0.570 121.081 120.500 0.017 0.000 3.953 596 R HA -0.192 4.148 4.340 0.000 0.000 0.340 596 R C -0.278 175.886 176.300 -0.226 0.000 1.195 596 R CA 0.660 56.720 56.100 -0.067 0.000 0.929 596 R CB -0.935 29.351 30.300 -0.023 0.000 1.402 596 R HN 0.558 nan 8.270 nan 0.000 0.540 597 R N 0.644 120.998 120.500 -0.243 0.000 2.522 597 R HA 0.318 4.658 4.340 0.000 0.000 0.314 597 R C -0.779 175.438 176.300 -0.138 0.000 1.178 597 R CA -0.164 55.656 56.100 -0.467 0.000 1.294 597 R CB 0.464 30.551 30.300 -0.354 0.000 1.345 597 R HN 0.097 nan 8.270 nan 0.000 0.710 598 L N -0.292 120.945 121.223 0.024 0.000 2.439 598 L HA 0.354 4.694 4.340 0.000 0.000 0.269 598 L C 1.255 178.373 176.870 0.413 0.000 1.179 598 L CA 0.681 55.603 54.840 0.137 0.000 0.828 598 L CB 0.814 42.751 42.059 -0.203 0.000 1.106 598 L HN 0.639 nan 8.230 nan 0.000 0.467 599 G N 0.975 110.042 108.800 0.445 0.000 2.160 599 G HA2 -0.277 3.683 3.960 0.000 0.000 0.244 599 G HA3 -0.277 3.683 3.960 0.000 0.000 0.244 599 G C 0.395 175.374 174.900 0.131 0.000 1.022 599 G CA 0.520 45.814 45.100 0.323 0.000 0.741 599 G HN 0.850 nan 8.290 nan 0.000 0.508 600 T N -3.567 111.020 114.554 0.055 0.000 2.995 600 T HA 0.491 4.842 4.350 0.000 0.000 0.170 600 T C 1.611 176.266 174.700 -0.075 0.000 0.844 600 T CA 0.875 62.890 62.100 -0.142 0.000 1.137 600 T CB 0.004 68.573 68.868 -0.499 0.000 2.193 600 T HN 0.148 nan 8.240 nan 0.000 0.384 601 F N 3.085 123.082 119.950 0.078 0.000 2.216 601 F HA 0.131 4.658 4.527 0.000 0.000 0.300 601 F C 2.583 178.421 175.800 0.063 0.000 1.085 601 F CA 1.092 59.126 58.000 0.057 0.000 1.326 601 F CB -0.934 38.099 39.000 0.055 0.000 1.027 601 F HN 0.582 nan 8.300 nan 0.000 0.497 602 E N -0.116 120.242 120.200 0.263 0.000 2.110 602 E HA -0.130 4.221 4.350 0.000 0.000 0.193 602 E C 2.119 178.824 176.600 0.176 0.000 0.988 602 E CA 1.558 58.087 56.400 0.216 0.000 0.804 602 E CB -0.892 28.947 29.700 0.231 0.000 0.745 602 E HN 0.244 nan 8.360 nan 0.000 0.458 603 V N 1.168 121.160 119.914 0.130 0.000 2.379 603 V HA -0.198 3.922 4.120 0.000 0.000 0.245 603 V C 2.284 178.411 176.094 0.055 0.000 1.044 603 V CA 2.074 64.406 62.300 0.054 0.000 1.036 603 V CB -0.402 31.408 31.823 -0.022 0.000 0.664 603 V HN 0.184 nan 8.190 nan 0.000 0.453 604 E N 0.201 120.449 120.200 0.079 0.000 2.152 604 E HA -0.179 4.171 4.350 0.000 0.000 0.192 604 E C 1.716 178.346 176.600 0.050 0.000 0.983 604 E CA 1.032 57.474 56.400 0.070 0.000 0.818 604 E CB -0.141 29.622 29.700 0.105 0.000 0.758 604 E HN 0.552 nan 8.360 nan 0.000 0.467 605 D N -0.255 120.192 120.400 0.079 0.000 2.312 605 D HA -0.106 4.534 4.640 0.000 0.000 0.211 605 D C 1.590 177.904 176.300 0.022 0.000 0.964 605 D CA 0.502 54.527 54.000 0.041 0.000 0.877 605 D CB 0.062 40.930 40.800 0.113 0.000 0.924 605 D HN 0.172 nan 8.370 nan 0.000 0.515 606 Q N -0.041 119.820 119.800 0.101 0.000 2.096 606 Q HA 0.047 4.387 4.340 0.000 0.000 0.197 606 Q C 2.501 178.569 176.000 0.113 0.000 0.964 606 Q CA 0.425 56.303 55.803 0.125 0.000 0.838 606 Q CB 0.012 28.842 28.738 0.153 0.000 0.906 606 Q HN 0.401 nan 8.270 nan 0.000 0.444 607 I N 0.882 121.531 120.570 0.130 0.000 2.179 607 I HA -0.267 3.904 4.170 0.000 0.000 0.242 607 I C 2.382 178.471 176.117 -0.047 0.000 1.088 607 I CA 1.403 62.823 61.300 0.200 0.000 1.357 607 I CB -0.272 37.822 38.000 0.156 0.000 1.051 607 I HN 0.155 nan 8.210 nan 0.000 0.409 608 E N 1.562 121.681 120.200 -0.135 0.000 2.153 608 E HA -0.187 4.163 4.350 0.000 0.000 0.194 608 E C 2.035 178.349 176.600 -0.477 0.000 0.988 608 E CA 1.469 57.719 56.400 -0.250 0.000 0.811 608 E CB -0.101 29.476 29.700 -0.205 0.000 0.746 608 E HN 0.433 nan 8.360 nan 0.000 0.466 609 A N 0.879 123.297 122.820 -0.669 0.000 1.873 609 A HA -0.001 4.319 4.320 0.000 0.000 0.215 609 A C 2.485 179.361 177.584 -1.180 0.000 1.186 609 A CA 1.908 53.235 52.037 -1.183 0.000 0.616 609 A CB -1.109 17.086 19.000 -1.341 0.000 0.823 609 A HN 0.403 nan 8.150 nan 0.000 0.442 610 A N -0.277 122.222 122.820 -0.536 0.000 1.978 610 A HA -0.186 4.135 4.320 0.000 0.000 0.220 610 A C 2.224 179.601 177.584 -0.345 0.000 1.170 610 A CA 1.551 53.414 52.037 -0.290 0.000 0.636 610 A CB -0.477 18.383 19.000 -0.234 0.000 0.810 610 A HN 0.547 nan 8.150 nan 0.000 0.448 611 R N -0.915 119.363 120.500 -0.370 0.000 2.148 611 R HA -0.068 4.272 4.340 0.000 0.000 0.227 611 R C 2.075 178.193 176.300 -0.305 0.000 1.103 611 R CA 1.129 57.054 56.100 -0.291 0.000 0.983 611 R CB -0.143 30.015 30.300 -0.236 0.000 0.874 611 R HN 0.568 nan 8.270 nan 0.000 0.451 612 Q N -0.528 118.999 119.800 -0.455 0.000 2.245 612 Q HA -0.037 4.303 4.340 0.000 0.000 0.201 612 Q C 1.724 177.530 176.000 -0.323 0.000 0.955 612 Q CA 1.006 56.557 55.803 -0.420 0.000 0.870 612 Q CB 0.107 28.518 28.738 -0.545 0.000 0.945 612 Q HN 0.278 nan 8.270 nan 0.000 0.461 613 F N 0.760 120.538 119.950 -0.286 0.000 2.293 613 F HA -0.020 4.507 4.527 0.000 0.000 0.297 613 F C 2.456 178.057 175.800 -0.332 0.000 1.089 613 F CA 0.456 58.275 58.000 -0.301 0.000 1.377 613 F CB -0.824 38.050 39.000 -0.209 0.000 1.051 613 F HN -0.074 nan 8.300 nan 0.000 0.511 614 S N 0.632 116.265 115.700 -0.112 0.000 2.356 614 S HA -0.209 4.261 4.470 0.000 0.000 0.223 614 S C 1.802 176.288 174.600 -0.191 0.000 1.032 614 S CA 1.694 59.800 58.200 -0.157 0.000 1.005 614 S CB -0.400 62.709 63.200 -0.152 0.000 0.867 614 S HN 0.428 nan 8.310 nan 0.000 0.449 615 K N 1.506 121.798 120.400 -0.180 0.000 2.486 615 K HA 0.209 4.529 4.320 0.000 0.000 0.194 615 K C 1.468 177.963 176.600 -0.175 0.000 1.033 615 K CA 0.723 56.917 56.287 -0.156 0.000 1.004 615 K CB -0.508 31.917 32.500 -0.126 0.000 0.798 615 K HN 0.301 nan 8.250 nan 0.000 0.495 616 M N 0.060 119.498 119.600 -0.270 0.000 2.319 616 M HA 0.089 4.569 4.480 0.000 0.000 0.265 616 M C 1.207 177.257 176.300 -0.417 0.000 1.068 616 M CA 1.525 56.613 55.300 -0.354 0.000 1.118 616 M CB -0.133 32.126 32.600 -0.569 0.000 1.395 616 M HN 0.627 nan 8.290 nan 0.000 0.435 617 G N 0.327 108.869 108.800 -0.430 0.000 2.232 617 G HA2 -0.267 3.693 3.960 0.000 0.000 0.226 617 G HA3 -0.267 3.693 3.960 0.000 0.000 0.226 617 G C 0.490 175.325 174.900 -0.108 0.000 0.996 617 G CA 0.172 45.148 45.100 -0.206 0.000 0.626 617 G HN 0.579 nan 8.290 nan 0.000 0.509 618 F N 0.784 120.792 119.950 0.096 0.000 2.645 618 F HA 0.754 5.281 4.527 0.000 0.000 0.300 618 F C 0.292 176.205 175.800 0.187 0.000 1.115 618 F CA -0.924 57.170 58.000 0.158 0.000 1.355 618 F CB 0.216 39.384 39.000 0.279 0.000 1.026 618 F HN 0.053 nan 8.300 nan 0.000 0.536 619 V N 1.181 121.115 119.914 0.032 0.000 2.459 619 V HA 0.184 4.304 4.120 0.000 0.000 0.295 619 V C -0.653 175.430 176.094 -0.018 0.000 1.029 619 V CA -0.829 61.498 62.300 0.046 0.000 0.874 619 V CB 1.628 33.429 31.823 -0.035 0.000 0.985 619 V HN 0.067 nan 8.190 nan 0.000 0.438 620 D N 3.700 124.082 120.400 -0.030 0.000 2.338 620 D HA 0.107 4.747 4.640 0.000 0.000 0.255 620 D C 1.015 177.262 176.300 -0.088 0.000 1.237 620 D CA 0.036 53.990 54.000 -0.077 0.000 0.883 620 D CB 0.717 41.449 40.800 -0.113 0.000 1.087 620 D HN 0.412 nan 8.370 nan 0.000 0.485 621 N N 3.167 121.818 118.700 -0.081 0.000 2.453 621 N HA -0.095 4.645 4.740 0.000 0.000 0.183 621 N C 0.982 176.448 175.510 -0.074 0.000 1.041 621 N CA 0.646 53.643 53.050 -0.088 0.000 0.900 621 N CB 0.182 38.617 38.487 -0.087 0.000 0.961 621 N HN 0.522 nan 8.380 nan 0.000 0.443 622 K N 0.154 120.518 120.400 -0.061 0.000 2.361 622 K HA 0.143 4.463 4.320 0.000 0.000 0.196 622 K C 0.267 176.860 176.600 -0.013 0.000 1.039 622 K CA 0.414 56.682 56.287 -0.032 0.000 1.001 622 K CB 0.458 32.941 32.500 -0.028 0.000 0.795 622 K HN 0.010 nan 8.250 nan 0.000 0.495 623 R N 1.285 121.742 120.500 -0.070 0.000 2.651 623 R HA 0.349 4.689 4.340 0.000 0.000 0.282 623 R C -1.006 175.211 176.300 -0.137 0.000 1.565 623 R CA -0.135 55.893 56.100 -0.120 0.000 1.661 623 R CB 0.581 30.640 30.300 -0.402 0.000 1.189 623 R HN -0.003 nan 8.270 nan 0.000 0.621 624 I N 1.178 121.801 120.570 0.090 0.000 2.406 624 I HA 0.538 4.708 4.170 0.000 0.000 0.290 624 I C 0.008 176.404 176.117 0.464 0.000 0.999 624 I CA -0.754 60.656 61.300 0.184 0.000 1.124 624 I CB 1.940 39.913 38.000 -0.046 0.000 1.289 624 I HN 0.313 nan 8.210 nan 0.000 0.441 625 A N 7.047 130.251 122.820 0.640 0.000 2.386 625 A HA 0.889 5.209 4.320 0.000 0.000 0.308 625 A C -1.078 176.875 177.584 0.615 0.000 1.128 625 A CA -0.628 51.775 52.037 0.610 0.000 0.789 625 A CB 1.886 21.142 19.000 0.427 0.000 1.325 625 A HN 0.745 nan 8.150 nan 0.000 0.437 626 I N 0.968 121.816 120.570 0.463 0.000 2.730 626 I HA 0.792 4.962 4.170 0.000 0.000 0.298 626 I C -1.603 174.772 176.117 0.430 0.000 1.089 626 I CA -0.682 60.810 61.300 0.321 0.000 1.041 626 I CB 1.684 39.594 38.000 -0.151 0.000 1.235 626 I HN 0.916 nan 8.210 nan 0.000 0.423 627 W N 6.863 128.294 121.300 0.219 0.000 3.146 627 W HA 0.783 5.443 4.660 0.000 0.000 0.319 627 W C -1.575 175.101 176.519 0.262 0.000 1.258 627 W CA -0.696 56.793 57.345 0.241 0.000 1.189 627 W CB 0.941 30.595 29.460 0.324 0.000 1.412 627 W HN 0.869 nan 8.180 nan 0.000 0.567 628 G N 0.683 109.373 108.800 -0.183 0.000 2.368 628 G HA2 0.395 4.355 3.960 0.000 0.000 0.293 628 G HA3 0.395 4.355 3.960 0.000 0.000 0.293 628 G C -2.866 171.997 174.900 -0.063 0.000 1.467 628 G CA -0.817 44.014 45.100 -0.447 0.000 0.804 628 G HN 0.631 nan 8.290 nan 0.000 0.535 629 W N 1.091 122.294 121.300 -0.162 0.000 2.587 629 W HA 0.590 5.250 4.660 0.000 0.000 0.324 629 W C 0.784 177.369 176.519 0.109 0.000 1.040 629 W CA 0.457 57.801 57.345 -0.002 0.000 1.222 629 W CB 1.722 31.185 29.460 0.005 0.000 1.381 629 W HN 1.365 nan 8.180 nan 0.000 0.483 630 S N 3.298 119.208 115.700 0.350 0.000 4.156 630 S HA -0.415 4.055 4.470 0.000 0.000 0.617 630 S C 1.180 175.898 174.600 0.198 0.000 1.870 630 S CA 1.782 60.206 58.200 0.374 0.000 4.248 630 S CB -1.922 61.682 63.200 0.673 0.000 0.203 630 S HN 0.721 nan 8.310 nan 0.000 0.460 631 Y N 2.299 122.654 120.300 0.091 0.000 2.224 631 Y HA 0.060 4.610 4.550 0.000 0.000 0.289 631 Y C 2.407 178.265 175.900 -0.070 0.000 1.146 631 Y CA 2.396 60.437 58.100 -0.098 0.000 1.182 631 Y CB -0.916 37.288 38.460 -0.427 0.000 0.983 631 Y HN 0.524 nan 8.280 nan 0.000 0.524 632 G N -0.834 108.055 108.800 0.149 0.000 2.422 632 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 632 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 632 G C 1.835 176.791 174.900 0.093 0.000 1.146 632 G CA 0.771 45.954 45.100 0.138 0.000 0.769 632 G HN 0.564 nan 8.290 nan 0.000 0.547 633 G N -0.225 108.638 108.800 0.104 0.000 2.402 633 G HA2 -0.207 3.753 3.960 0.000 0.000 0.216 633 G HA3 -0.207 3.753 3.960 0.000 0.000 0.216 633 G C 1.544 176.481 174.900 0.060 0.000 1.162 633 G CA 0.989 46.133 45.100 0.074 0.000 0.777 633 G HN 0.466 nan 8.290 nan 0.000 0.539 634 Y N 1.168 121.389 120.300 -0.133 0.000 2.070 634 Y HA -0.218 4.332 4.550 0.000 0.000 0.280 634 Y C 2.846 178.661 175.900 -0.140 0.000 1.148 634 Y CA 2.105 60.069 58.100 -0.225 0.000 1.125 634 Y CB -0.330 37.839 38.460 -0.484 0.000 0.975 634 Y HN 0.035 nan 8.280 nan 0.000 0.492 635 V N -0.060 119.754 119.914 -0.166 0.000 2.287 635 V HA -0.353 3.767 4.120 0.000 0.000 0.248 635 V C 2.316 178.301 176.094 -0.181 0.000 1.053 635 V CA 2.418 64.603 62.300 -0.192 0.000 1.027 635 V CB -1.207 30.651 31.823 0.057 0.000 0.646 635 V HN 0.539 nan 8.190 nan 0.000 0.447 636 T N 0.213 114.717 114.554 -0.083 0.000 2.624 636 T HA -0.240 4.110 4.350 0.000 0.000 0.268 636 T C 2.094 176.738 174.700 -0.093 0.000 1.041 636 T CA 2.219 64.281 62.100 -0.063 0.000 1.159 636 T CB -0.344 68.569 68.868 0.075 0.000 0.863 636 T HN 0.567 nan 8.240 nan 0.000 0.434 637 S N 0.903 116.580 115.700 -0.038 0.000 2.382 637 S HA -0.003 4.467 4.470 0.000 0.000 0.228 637 S C 2.111 176.626 174.600 -0.141 0.000 1.027 637 S CA 0.893 59.091 58.200 -0.003 0.000 0.991 637 S CB -0.262 62.977 63.200 0.066 0.000 0.823 637 S HN 0.319 nan 8.310 nan 0.000 0.469 638 M N 0.923 120.347 119.600 -0.293 0.000 2.175 638 M HA 0.004 4.484 4.480 0.000 0.000 0.264 638 M C 2.214 178.342 176.300 -0.286 0.000 1.063 638 M CA 1.032 56.133 55.300 -0.331 0.000 1.119 638 M CB -1.314 30.982 32.600 -0.507 0.000 1.377 638 M HN 0.184 nan 8.290 nan 0.000 0.415 639 V N 0.647 120.385 119.914 -0.294 0.000 2.307 639 V HA -0.233 3.887 4.120 0.000 0.000 0.245 639 V C 2.518 178.390 176.094 -0.370 0.000 1.045 639 V CA 1.327 63.442 62.300 -0.308 0.000 1.024 639 V CB -0.664 30.913 31.823 -0.411 0.000 0.651 639 V HN 0.402 nan 8.190 nan 0.000 0.449 640 L N 0.493 121.440 121.223 -0.459 0.000 2.187 640 L HA -0.097 4.243 4.340 0.000 0.000 0.213 640 L C 2.193 178.479 176.870 -0.974 0.000 1.100 640 L CA 1.572 56.043 54.840 -0.615 0.000 0.765 640 L CB -0.750 40.941 42.059 -0.614 0.000 0.904 640 L HN 0.509 nan 8.230 nan 0.000 0.437 641 G N -1.490 106.766 108.800 -0.907 0.000 3.233 641 G HA2 -0.029 3.931 3.960 0.000 0.000 0.227 641 G HA3 -0.029 3.931 3.960 0.000 0.000 0.227 641 G C 1.391 176.105 174.900 -0.309 0.000 1.175 641 G CA 0.563 45.237 45.100 -0.711 0.000 0.781 641 G HN 0.439 nan 8.290 nan 0.000 0.542 642 S N -0.937 114.611 115.700 -0.252 0.000 2.524 642 S HA 0.324 4.794 4.470 0.000 0.000 0.216 642 S C 1.874 176.421 174.600 -0.088 0.000 0.987 642 S CA 0.903 59.024 58.200 -0.131 0.000 0.909 642 S CB 0.027 63.172 63.200 -0.093 0.000 0.781 642 S HN 1.297 nan 8.310 nan 0.000 0.521 643 G N 1.708 110.446 108.800 -0.104 0.000 2.179 643 G HA2 -0.349 3.611 3.960 0.000 0.000 0.257 643 G HA3 -0.349 3.611 3.960 0.000 0.000 0.257 643 G C 0.949 175.835 174.900 -0.024 0.000 1.010 643 G CA 0.909 45.974 45.100 -0.058 0.000 0.736 643 G HN 1.225 nan 8.290 nan 0.000 0.513 644 S N -0.816 114.882 115.700 -0.004 0.000 2.428 644 S HA 0.313 4.783 4.470 0.000 0.000 0.230 644 S C 2.524 177.129 174.600 0.010 0.000 1.014 644 S CA 1.728 59.938 58.200 0.017 0.000 0.957 644 S CB -0.183 63.056 63.200 0.064 0.000 0.784 644 S HN 2.416 nan 8.310 nan 0.000 0.499 645 G N -0.021 108.794 108.800 0.025 0.000 2.205 645 G HA2 -0.302 3.658 3.960 0.000 0.000 0.261 645 G HA3 -0.302 3.658 3.960 0.000 0.000 0.261 645 G C 0.836 175.723 174.900 -0.023 0.000 0.980 645 G CA 0.412 45.517 45.100 0.007 0.000 0.632 645 G HN 0.728 nan 8.290 nan 0.000 0.533 646 V N -0.313 119.564 119.914 -0.061 0.000 2.427 646 V HA 0.192 4.312 4.120 0.000 0.000 0.248 646 V C 1.296 177.159 176.094 -0.385 0.000 1.051 646 V CA 1.730 63.845 62.300 -0.309 0.000 1.048 646 V CB -0.458 31.029 31.823 -0.561 0.000 0.666 646 V HN 0.319 nan 8.190 nan 0.000 0.456 647 F N -0.160 119.806 119.950 0.027 0.000 2.443 647 F HA 0.424 4.951 4.527 0.000 0.000 0.335 647 F C 1.052 176.900 175.800 0.081 0.000 1.104 647 F CA -0.671 57.374 58.000 0.074 0.000 1.013 647 F CB 1.456 40.504 39.000 0.079 0.000 1.136 647 F HN -0.249 nan 8.300 nan 0.000 0.470 648 K N 1.647 122.218 120.400 0.285 0.000 2.098 648 K HA 0.104 4.424 4.320 0.000 0.000 0.203 648 K C 0.061 176.806 176.600 0.241 0.000 1.051 648 K CA 0.963 57.380 56.287 0.217 0.000 0.957 648 K CB 0.262 32.885 32.500 0.206 0.000 0.738 648 K HN 0.810 nan 8.250 nan 0.000 0.447 649 c N -2.523 116.262 118.600 0.309 0.000 3.332 649 c HA 0.926 5.496 4.570 0.000 0.000 0.329 649 c C -0.194 174.146 174.090 0.416 0.000 1.434 649 c CA -0.394 56.145 56.329 0.351 0.000 1.314 649 c CB 1.123 43.775 42.510 0.236 0.000 1.664 649 c HN 0.425 nan 8.230 nan 0.000 0.457 650 G N -0.058 109.055 108.800 0.522 0.000 2.523 650 G HA2 0.657 4.617 3.960 0.000 0.000 0.291 650 G HA3 0.657 4.617 3.960 0.000 0.000 0.291 650 G C -2.169 172.964 174.900 0.389 0.000 1.450 650 G CA -0.670 44.701 45.100 0.451 0.000 0.790 650 G HN 1.033 nan 8.290 nan 0.000 0.496 651 I N 0.832 121.599 120.570 0.329 0.000 2.478 651 I HA 0.591 4.761 4.170 0.000 0.000 0.287 651 I C 0.264 176.518 176.117 0.228 0.000 1.042 651 I CA -0.880 60.498 61.300 0.129 0.000 1.067 651 I CB 2.180 40.224 38.000 0.073 0.000 1.233 651 I HN 0.691 nan 8.210 nan 0.000 0.431 652 A N 6.695 129.563 122.820 0.080 0.000 2.260 652 A HA 0.761 5.081 4.320 0.000 0.000 0.314 652 A C -0.559 176.964 177.584 -0.102 0.000 1.257 652 A CA -0.481 51.601 52.037 0.075 0.000 0.871 652 A CB 0.825 19.930 19.000 0.176 0.000 1.166 652 A HN 0.449 nan 8.150 nan 0.000 0.522 653 V N 2.249 122.057 119.914 -0.177 0.000 2.398 653 V HA 0.549 4.669 4.120 0.000 0.000 0.286 653 V C 0.995 176.717 176.094 -0.620 0.000 1.026 653 V CA 0.318 62.286 62.300 -0.553 0.000 0.868 653 V CB 0.676 31.864 31.823 -1.059 0.000 0.982 653 V HN 2.033 nan 8.190 nan 0.000 0.443 654 A N 5.547 127.972 122.820 -0.658 0.000 2.511 654 A HA -0.106 4.214 4.320 0.000 0.000 0.297 654 A C -1.695 175.766 177.584 -0.206 0.000 1.476 654 A CA 0.391 51.967 52.037 -0.769 0.000 0.757 654 A CB -1.608 17.028 19.000 -0.606 0.000 1.072 654 A HN 0.637 nan 8.150 nan 0.000 0.413 655 P HA 0.389 nan 4.420 nan 0.000 0.279 655 P C 0.359 177.651 177.300 -0.015 0.000 1.239 655 P CA -0.087 63.014 63.100 0.002 0.000 0.789 655 P CB 1.173 32.894 31.700 0.035 0.000 0.933 656 V N 2.306 122.107 119.914 -0.188 0.000 2.872 656 V HA 0.023 4.143 4.120 0.000 0.000 0.307 656 V C 1.788 177.712 176.094 -0.283 0.000 1.072 656 V CA 0.882 62.917 62.300 -0.442 0.000 1.148 656 V CB 0.532 31.662 31.823 -1.155 0.000 0.954 656 V HN 0.770 nan 8.190 nan 0.000 0.490 657 S N 2.561 118.100 115.700 -0.268 0.000 2.731 657 S HA 0.278 4.748 4.470 0.000 0.000 0.244 657 S C 0.507 174.971 174.600 -0.226 0.000 1.084 657 S CA 0.006 58.136 58.200 -0.116 0.000 0.877 657 S CB 0.206 63.425 63.200 0.031 0.000 0.798 657 S HN 0.896 nan 8.310 nan 0.000 0.496 658 R N -1.199 119.041 120.500 -0.433 0.000 2.594 658 R HA 0.204 4.544 4.340 0.000 0.000 0.265 658 R C -0.869 175.124 176.300 -0.512 0.000 1.070 658 R CA -0.630 55.173 56.100 -0.496 0.000 0.909 658 R CB -0.336 29.644 30.300 -0.534 0.000 1.243 658 R HN 0.279 nan 8.270 nan 0.000 0.455 659 W N 1.512 122.731 121.300 -0.135 0.000 2.519 659 W HA 0.045 4.705 4.660 0.000 0.000 0.266 659 W C 1.296 177.955 176.519 0.233 0.000 1.253 659 W CA 0.571 57.927 57.345 0.019 0.000 1.274 659 W CB 0.295 29.684 29.460 -0.119 0.000 1.114 659 W HN 0.753 nan 8.180 nan 0.000 0.596 660 E N -0.726 119.664 120.200 0.318 0.000 2.209 660 E HA -0.223 4.127 4.350 0.000 0.000 0.196 660 E C 1.412 178.163 176.600 0.252 0.000 0.993 660 E CA 1.239 57.751 56.400 0.187 0.000 0.819 660 E CB -0.493 29.200 29.700 -0.011 0.000 0.745 660 E HN 0.354 nan 8.360 nan 0.000 0.477 661 Y N -1.435 118.965 120.300 0.166 0.000 2.516 661 Y HA 0.055 4.605 4.550 0.000 0.000 0.291 661 Y C 0.784 176.789 175.900 0.177 0.000 1.131 661 Y CA -0.329 57.839 58.100 0.113 0.000 1.281 661 Y CB -0.645 37.826 38.460 0.019 0.000 1.013 661 Y HN 0.036 nan 8.280 nan 0.000 0.554 662 Y N 1.932 122.399 120.300 0.279 0.000 2.334 662 Y HA 0.275 4.825 4.550 0.000 0.000 0.325 662 Y C 0.255 176.376 175.900 0.368 0.000 1.308 662 Y CA -2.061 56.211 58.100 0.286 0.000 1.389 662 Y CB 0.378 39.036 38.460 0.330 0.000 1.328 662 Y HN 0.187 nan 8.280 nan 0.000 0.532 663 D N -0.449 119.641 120.400 -0.516 0.000 2.372 663 D HA 0.126 4.766 4.640 0.000 0.000 0.243 663 D C 0.857 177.119 176.300 -0.064 0.000 1.121 663 D CA 0.259 54.039 54.000 -0.366 0.000 0.898 663 D CB 1.146 41.503 40.800 -0.739 0.000 1.202 663 D HN 0.492 nan 8.370 nan 0.000 0.428 664 S N 1.984 117.670 115.700 -0.023 0.000 2.359 664 S HA -0.284 4.186 4.470 0.000 0.000 0.224 664 S C 2.104 176.730 174.600 0.043 0.000 1.035 664 S CA 1.263 59.502 58.200 0.065 0.000 1.018 664 S CB -1.171 62.072 63.200 0.071 0.000 0.876 664 S HN 0.696 nan 8.310 nan 0.000 0.448 665 V N 0.382 120.269 119.914 -0.045 0.000 2.237 665 V HA -0.155 3.965 4.120 0.000 0.000 0.245 665 V C 2.150 178.163 176.094 -0.135 0.000 1.046 665 V CA 1.990 64.190 62.300 -0.166 0.000 1.007 665 V CB -1.442 30.083 31.823 -0.497 0.000 0.638 665 V HN 0.527 nan 8.190 nan 0.000 0.445 666 Y N 2.070 122.302 120.300 -0.113 0.000 2.081 666 Y HA -0.255 4.295 4.550 0.000 0.000 0.280 666 Y C 2.674 178.587 175.900 0.021 0.000 1.163 666 Y CA 3.100 61.217 58.100 0.029 0.000 1.135 666 Y CB -0.811 37.847 38.460 0.331 0.000 0.970 666 Y HN 0.390 nan 8.280 nan 0.000 0.498 667 T N 0.067 114.796 114.554 0.292 0.000 2.701 667 T HA -0.177 4.173 4.350 0.000 0.000 0.263 667 T C 1.558 176.227 174.700 -0.053 0.000 1.040 667 T CA 1.775 63.997 62.100 0.203 0.000 1.147 667 T CB -0.323 68.817 68.868 0.454 0.000 0.865 667 T HN 0.434 nan 8.240 nan 0.000 0.426 668 E N 0.720 120.916 120.200 -0.008 0.000 2.204 668 E HA -0.088 4.262 4.350 0.000 0.000 0.195 668 E C 2.333 178.816 176.600 -0.194 0.000 0.990 668 E CA 0.437 56.825 56.400 -0.021 0.000 0.821 668 E CB -0.133 29.598 29.700 0.052 0.000 0.750 668 E HN 0.308 nan 8.360 nan 0.000 0.477 669 R N 0.023 120.263 120.500 -0.434 0.000 2.119 669 R HA -0.222 4.118 4.340 0.000 0.000 0.246 669 R C 1.171 176.910 176.300 -0.935 0.000 1.146 669 R CA 1.794 57.423 56.100 -0.785 0.000 0.962 669 R CB -0.026 29.466 30.300 -1.347 0.000 0.863 669 R HN 0.292 nan 8.270 nan 0.000 0.442 670 Y N -2.765 117.207 120.300 -0.547 0.000 2.483 670 Y HA 0.226 4.776 4.550 0.000 0.000 0.258 670 Y C 1.776 177.479 175.900 -0.328 0.000 1.083 670 Y CA -0.099 57.667 58.100 -0.556 0.000 1.283 670 Y CB 0.438 38.430 38.460 -0.781 0.000 1.178 670 Y HN -0.067 nan 8.280 nan 0.000 0.515 671 M N -0.638 118.851 119.600 -0.185 0.000 2.379 671 M HA 0.365 4.845 4.480 0.000 0.000 0.265 671 M C 1.263 177.580 176.300 0.029 0.000 1.095 671 M CA 0.913 56.108 55.300 -0.176 0.000 1.075 671 M CB -0.056 32.264 32.600 -0.467 0.000 1.443 671 M HN 0.379 nan 8.290 nan 0.000 0.519 672 G N 1.994 110.824 108.800 0.050 0.000 2.547 672 G HA2 -0.249 3.711 3.960 0.000 0.000 0.271 672 G HA3 -0.249 3.711 3.960 0.000 0.000 0.271 672 G C -0.682 174.353 174.900 0.225 0.000 1.209 672 G CA -0.552 44.618 45.100 0.117 0.000 0.959 672 G HN 0.269 nan 8.290 nan 0.000 0.563 673 L N 2.779 124.116 121.223 0.189 0.000 2.325 673 L HA 0.598 4.938 4.340 0.000 0.000 0.278 673 L C -1.592 175.281 176.870 0.005 0.000 1.023 673 L CA -1.765 53.133 54.840 0.097 0.000 0.811 673 L CB 1.810 43.893 42.059 0.040 0.000 1.249 673 L HN 0.408 nan 8.230 nan 0.000 0.431 674 P HA 0.123 nan 4.420 nan 0.000 0.214 674 P C -0.700 176.467 177.300 -0.222 0.000 1.807 674 P CA -0.215 62.522 63.100 -0.604 0.000 0.921 674 P CB -0.429 30.623 31.700 -1.079 0.000 1.835 675 T N -3.264 111.240 114.554 -0.084 0.000 2.856 675 T HA 0.472 4.822 4.350 0.000 0.000 0.283 675 T C -2.291 172.410 174.700 0.002 0.000 1.008 675 T CA -2.616 59.463 62.100 -0.036 0.000 0.997 675 T CB 1.878 70.735 68.868 -0.018 0.000 0.992 675 T HN -0.279 nan 8.240 nan 0.000 0.454 676 P HA 0.004 nan 4.420 nan 0.000 0.229 676 P C 0.444 177.761 177.300 0.027 0.000 1.150 676 P CA 0.767 63.880 63.100 0.022 0.000 0.765 676 P CB 0.032 31.741 31.700 0.015 0.000 0.783 677 E N -2.006 118.208 120.200 0.023 0.000 2.481 677 E HA 0.027 4.377 4.350 0.000 0.000 0.198 677 E C 0.953 177.574 176.600 0.034 0.000 1.027 677 E CA 0.192 56.607 56.400 0.025 0.000 0.900 677 E CB -0.022 29.688 29.700 0.017 0.000 0.993 677 E HN 0.191 nan 8.360 nan 0.000 0.482 678 D N -0.364 120.063 120.400 0.045 0.000 3.112 678 D HA 0.092 4.733 4.640 0.000 0.000 0.212 678 D C 0.241 176.599 176.300 0.096 0.000 1.376 678 D CA 0.126 54.164 54.000 0.064 0.000 1.411 678 D CB 0.078 40.918 40.800 0.066 0.000 0.965 678 D HN -0.052 nan 8.370 nan 0.000 0.192 679 N N -0.051 118.736 118.700 0.145 0.000 2.241 679 N HA 0.116 4.856 4.740 0.000 0.000 0.238 679 N C 1.125 176.831 175.510 0.326 0.000 1.244 679 N CA -0.083 53.104 53.050 0.228 0.000 0.880 679 N CB 0.303 38.950 38.487 0.266 0.000 1.179 679 N HN 0.139 nan 8.380 nan 0.000 0.513 680 L N 0.392 121.725 121.223 0.183 0.000 2.043 680 L HA -0.176 4.165 4.340 0.000 0.000 0.212 680 L C 1.391 178.374 176.870 0.188 0.000 1.075 680 L CA 1.944 56.864 54.840 0.134 0.000 0.752 680 L CB -0.255 41.823 42.059 0.032 0.000 0.891 680 L HN 0.162 nan 8.230 nan 0.000 0.432 681 D N -1.355 119.139 120.400 0.157 0.000 2.116 681 D HA -0.282 4.358 4.640 0.000 0.000 0.193 681 D C 1.972 178.370 176.300 0.163 0.000 0.998 681 D CA 1.984 56.065 54.000 0.134 0.000 0.836 681 D CB -0.172 40.695 40.800 0.112 0.000 0.951 681 D HN 0.591 nan 8.370 nan 0.000 0.449 682 H N -0.391 118.746 119.070 0.112 0.000 2.357 682 H HA -0.114 4.442 4.556 0.000 0.000 0.301 682 H C 1.822 177.210 175.328 0.099 0.000 1.082 682 H CA 1.411 57.501 56.048 0.069 0.000 1.342 682 H CB -0.460 29.306 29.762 0.006 0.000 1.389 682 H HN 0.127 nan 8.280 nan 0.000 0.511 683 Y N 0.643 120.945 120.300 0.003 0.000 2.096 683 Y HA -0.323 4.227 4.550 0.000 0.000 0.276 683 Y C 2.590 178.454 175.900 -0.060 0.000 1.209 683 Y CA 2.069 60.169 58.100 0.000 0.000 1.137 683 Y CB -0.057 38.431 38.460 0.046 0.000 0.956 683 Y HN 0.187 nan 8.280 nan 0.000 0.506 684 R N -0.255 120.317 120.500 0.121 0.000 2.148 684 R HA -0.067 4.273 4.340 0.000 0.000 0.223 684 R C 1.464 177.752 176.300 -0.019 0.000 1.088 684 R CA 0.904 57.028 56.100 0.039 0.000 0.985 684 R CB -0.621 29.705 30.300 0.043 0.000 0.880 684 R HN 0.515 nan 8.270 nan 0.000 0.451 685 N N 0.622 119.280 118.700 -0.069 0.000 2.422 685 N HA -0.040 4.700 4.740 0.000 0.000 0.181 685 N C 0.467 175.885 175.510 -0.152 0.000 1.080 685 N CA 0.663 53.657 53.050 -0.093 0.000 0.893 685 N CB 0.346 38.805 38.487 -0.046 0.000 0.973 685 N HN 0.140 nan 8.380 nan 0.000 0.456 686 S N -0.210 115.355 115.700 -0.225 0.000 2.561 686 S HA 0.065 4.535 4.470 0.000 0.000 0.245 686 S C 0.572 175.208 174.600 0.061 0.000 1.001 686 S CA -0.740 57.391 58.200 -0.115 0.000 1.002 686 S CB -0.162 62.901 63.200 -0.227 0.000 0.805 686 S HN 0.135 nan 8.310 nan 0.000 0.458 687 T N -1.457 113.092 114.554 -0.009 0.000 2.909 687 T HA 0.486 4.836 4.350 0.000 0.000 0.286 687 T C 1.229 175.915 174.700 -0.024 0.000 1.002 687 T CA -0.212 61.876 62.100 -0.021 0.000 1.074 687 T CB 1.589 70.416 68.868 -0.068 0.000 0.984 687 T HN 0.312 nan 8.240 nan 0.000 0.495 688 V N 2.721 122.617 119.914 -0.030 0.000 2.667 688 V HA -0.046 4.074 4.120 0.000 0.000 0.252 688 V C 2.148 178.212 176.094 -0.051 0.000 1.065 688 V CA 1.440 63.711 62.300 -0.049 0.000 1.083 688 V CB -1.083 30.703 31.823 -0.061 0.000 0.692 688 V HN 0.888 nan 8.190 nan 0.000 0.468 689 M N 2.091 121.649 119.600 -0.070 0.000 2.108 689 M HA -0.141 4.339 4.480 0.000 0.000 0.261 689 M C 2.495 178.770 176.300 -0.042 0.000 1.066 689 M CA 2.456 57.711 55.300 -0.075 0.000 1.107 689 M CB -0.920 31.645 32.600 -0.058 0.000 1.356 689 M HN 0.722 nan 8.290 nan 0.000 0.406 690 S N 0.087 115.770 115.700 -0.028 0.000 2.440 690 S HA -0.148 4.322 4.470 0.000 0.000 0.238 690 S C 1.827 176.428 174.600 0.002 0.000 1.010 690 S CA 0.982 59.173 58.200 -0.014 0.000 0.972 690 S CB -0.536 62.653 63.200 -0.017 0.000 0.774 690 S HN 0.556 nan 8.310 nan 0.000 0.501 691 R N 0.682 121.194 120.500 0.019 0.000 2.334 691 R HA 0.431 4.771 4.340 0.000 0.000 0.220 691 R C 2.308 178.703 176.300 0.158 0.000 0.917 691 R CA 0.434 56.568 56.100 0.057 0.000 1.073 691 R CB -0.354 29.968 30.300 0.037 0.000 1.056 691 R HN 0.508 nan 8.270 nan 0.000 0.506 692 A N 1.812 124.689 122.820 0.097 0.000 1.927 692 A HA -0.305 4.015 4.320 0.000 0.000 0.220 692 A C 2.060 179.739 177.584 0.159 0.000 1.185 692 A CA 1.999 54.079 52.037 0.071 0.000 0.639 692 A CB -0.332 18.628 19.000 -0.066 0.000 0.820 692 A HN 0.285 nan 8.150 nan 0.000 0.451 693 E N 0.593 120.849 120.200 0.093 0.000 2.130 693 E HA -0.203 4.147 4.350 0.000 0.000 0.196 693 E C 1.454 178.108 176.600 0.090 0.000 0.998 693 E CA 1.749 58.196 56.400 0.077 0.000 0.806 693 E CB -0.283 29.442 29.700 0.043 0.000 0.738 693 E HN 0.597 nan 8.360 nan 0.000 0.459 694 N N -0.601 118.144 118.700 0.076 0.000 2.515 694 N HA -0.065 4.675 4.740 0.000 0.000 0.185 694 N C 0.448 175.912 175.510 -0.076 0.000 1.109 694 N CA 0.387 53.424 53.050 -0.022 0.000 0.903 694 N CB -0.171 38.252 38.487 -0.108 0.000 0.969 694 N HN 0.219 nan 8.380 nan 0.000 0.450 695 F N 0.953 120.862 119.950 -0.070 0.000 2.802 695 F HA 0.107 4.634 4.527 0.000 0.000 0.300 695 F C 1.869 177.680 175.800 0.019 0.000 1.168 695 F CA 0.406 58.367 58.000 -0.065 0.000 1.433 695 F CB 0.091 39.008 39.000 -0.138 0.000 1.115 695 F HN -0.079 nan 8.300 nan 0.000 0.582 696 K N -0.081 120.416 120.400 0.162 0.000 2.362 696 K HA -0.137 4.183 4.320 0.000 0.000 0.200 696 K C 1.568 178.227 176.600 0.099 0.000 1.046 696 K CA 0.918 57.282 56.287 0.128 0.000 0.952 696 K CB -0.081 32.474 32.500 0.092 0.000 0.753 696 K HN 0.385 nan 8.250 nan 0.000 0.466 697 Q N 0.078 119.915 119.800 0.062 0.000 2.360 697 Q HA 0.034 4.374 4.340 0.000 0.000 0.202 697 Q C 0.009 176.050 176.000 0.069 0.000 0.915 697 Q CA 0.036 55.868 55.803 0.047 0.000 0.943 697 Q CB 0.788 29.532 28.738 0.011 0.000 1.064 697 Q HN 0.106 nan 8.270 nan 0.000 0.511 698 V N -3.096 116.878 119.914 0.100 0.000 3.130 698 V HA 0.476 4.596 4.120 0.000 0.000 0.310 698 V C -1.258 174.988 176.094 0.253 0.000 1.158 698 V CA -1.332 61.056 62.300 0.147 0.000 1.029 698 V CB 2.230 34.100 31.823 0.079 0.000 1.057 698 V HN -0.017 nan 8.190 nan 0.000 0.436 699 E N 1.611 121.994 120.200 0.305 0.000 2.146 699 E HA 0.484 4.834 4.350 0.000 0.000 0.282 699 E C -1.826 175.161 176.600 0.646 0.000 0.989 699 E CA -0.402 56.252 56.400 0.425 0.000 0.799 699 E CB 1.820 31.698 29.700 0.297 0.000 1.088 699 E HN 0.687 nan 8.360 nan 0.000 0.397 700 Y N 3.262 123.835 120.300 0.455 0.000 2.376 700 Y HA 0.451 5.002 4.550 0.000 0.000 0.340 700 Y C -1.649 174.323 175.900 0.120 0.000 0.965 700 Y CA -1.631 56.667 58.100 0.331 0.000 1.078 700 Y CB 1.119 39.812 38.460 0.388 0.000 1.193 700 Y HN 0.451 nan 8.280 nan 0.000 0.452 701 L N 7.801 128.725 121.223 -0.499 0.000 2.325 701 L HA 0.616 4.956 4.340 0.000 0.000 0.281 701 L C -2.126 174.297 176.870 -0.746 0.000 1.004 701 L CA -0.777 53.626 54.840 -0.728 0.000 0.823 701 L CB 1.349 42.658 42.059 -1.250 0.000 1.236 701 L HN 0.645 nan 8.230 nan 0.000 0.415 702 L N 6.681 127.550 121.223 -0.590 0.000 2.305 702 L HA 0.693 5.033 4.340 0.000 0.000 0.284 702 L C -1.197 175.566 176.870 -0.178 0.000 1.013 702 L CA 0.022 54.582 54.840 -0.466 0.000 0.819 702 L CB 1.105 42.901 42.059 -0.439 0.000 1.227 702 L HN 0.602 nan 8.230 nan 0.000 0.417 703 I N 4.574 125.054 120.570 -0.151 0.000 2.509 703 I HA 0.481 4.651 4.170 0.000 0.000 0.293 703 I C -1.051 175.065 176.117 -0.002 0.000 1.020 703 I CA -0.637 60.632 61.300 -0.052 0.000 1.088 703 I CB 1.944 39.871 38.000 -0.122 0.000 1.267 703 I HN 0.676 nan 8.210 nan 0.000 0.430 704 H N 2.266 121.411 119.070 0.125 0.000 3.038 704 H HA 0.506 5.063 4.556 0.000 0.000 0.362 704 H C -0.260 175.310 175.328 0.403 0.000 1.167 704 H CA -0.571 55.604 56.048 0.212 0.000 1.197 704 H CB 1.975 31.844 29.762 0.179 0.000 1.840 704 H HN 0.737 nan 8.280 nan 0.000 0.540 705 G N 0.791 109.910 108.800 0.532 0.000 2.432 705 G HA2 0.210 4.170 3.960 0.000 0.000 0.257 705 G HA3 0.210 4.170 3.960 0.000 0.000 0.257 705 G C 1.110 176.273 174.900 0.440 0.000 1.238 705 G CA 0.178 45.557 45.100 0.466 0.000 0.838 705 G HN 0.750 nan 8.290 nan 0.000 0.547 706 T N -0.863 113.789 114.554 0.164 0.000 2.985 706 T HA 0.152 4.502 4.350 0.000 0.000 0.266 706 T C 1.706 176.371 174.700 -0.058 0.000 1.076 706 T CA 1.177 63.193 62.100 -0.140 0.000 1.135 706 T CB 0.199 68.901 68.868 -0.278 0.000 0.890 706 T HN 0.688 nan 8.240 nan 0.000 0.480 707 A N 1.200 124.060 122.820 0.067 0.000 2.684 707 A HA 0.328 4.648 4.320 0.000 0.000 0.288 707 A C 0.335 177.893 177.584 -0.044 0.000 1.337 707 A CA -0.499 51.571 52.037 0.054 0.000 0.946 707 A CB -0.400 18.913 19.000 0.522 0.000 1.093 707 A HN 0.369 nan 8.150 nan 0.000 0.543 708 D N 1.461 121.831 120.400 -0.050 0.000 2.344 708 D HA 0.008 4.648 4.640 0.000 0.000 0.253 708 D C 0.501 176.778 176.300 -0.037 0.000 1.255 708 D CA 0.058 54.138 54.000 0.133 0.000 0.894 708 D CB 0.692 41.722 40.800 0.384 0.000 1.067 708 D HN 0.565 nan 8.370 nan 0.000 0.492 709 D N 2.413 122.866 120.400 0.087 0.000 2.323 709 D HA -0.146 4.494 4.640 0.000 0.000 0.209 709 D C 0.969 177.241 176.300 -0.047 0.000 0.973 709 D CA 0.005 54.004 54.000 -0.002 0.000 0.874 709 D CB 0.430 41.184 40.800 -0.076 0.000 0.930 709 D HN 0.224 nan 8.370 nan 0.000 0.521 710 N N 0.975 119.757 118.700 0.137 0.000 2.358 710 N HA -0.060 4.680 4.740 0.000 0.000 0.209 710 N C -0.060 175.423 175.510 -0.045 0.000 1.033 710 N CA 0.444 53.606 53.050 0.188 0.000 1.021 710 N CB 0.069 38.659 38.487 0.171 0.000 1.244 710 N HN -0.122 nan 8.380 nan 0.000 0.523 711 V N 2.829 122.720 119.914 -0.039 0.000 2.339 711 V HA 0.166 4.286 4.120 0.000 0.000 0.261 711 V C -0.405 175.788 176.094 0.164 0.000 1.058 711 V CA -0.287 62.043 62.300 0.051 0.000 0.897 711 V CB -0.664 31.233 31.823 0.123 0.000 1.052 711 V HN 0.323 nan 8.190 nan 0.000 0.480 712 H N 3.352 122.430 119.070 0.014 0.000 2.871 712 H HA -0.009 4.547 4.556 0.000 0.000 0.355 712 H C 0.796 175.987 175.328 -0.229 0.000 1.092 712 H CA -0.117 55.846 56.048 -0.141 0.000 1.420 712 H CB 0.757 30.346 29.762 -0.288 0.000 1.400 712 H HN 0.625 nan 8.280 nan 0.000 0.604 713 F N 2.009 121.780 119.950 -0.299 0.000 2.184 713 F HA -0.318 4.209 4.527 0.000 0.000 0.301 713 F C 2.600 178.124 175.800 -0.461 0.000 1.076 713 F CA 1.840 59.475 58.000 -0.608 0.000 1.295 713 F CB -0.212 38.607 39.000 -0.302 0.000 1.026 713 F HN 0.672 nan 8.300 nan 0.000 0.494 714 Q N 0.173 119.809 119.800 -0.274 0.000 2.182 714 Q HA -0.336 4.004 4.340 0.000 0.000 0.213 714 Q C 2.085 177.819 176.000 -0.444 0.000 1.000 714 Q CA 2.468 58.056 55.803 -0.359 0.000 0.889 714 Q CB -0.377 28.134 28.738 -0.378 0.000 0.932 714 Q HN 0.601 nan 8.270 nan 0.000 0.415 715 Q N -0.249 119.335 119.800 -0.359 0.000 2.030 715 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 715 Q C 2.338 178.212 176.000 -0.209 0.000 0.986 715 Q CA 1.822 57.535 55.803 -0.151 0.000 0.843 715 Q CB -0.201 28.538 28.738 0.002 0.000 0.904 715 Q HN 0.355 nan 8.270 nan 0.000 0.420 716 S N 0.979 116.437 115.700 -0.404 0.000 2.383 716 S HA -0.077 4.393 4.470 0.000 0.000 0.227 716 S C 2.097 176.423 174.600 -0.457 0.000 1.026 716 S CA 0.869 58.840 58.200 -0.381 0.000 0.981 716 S CB -0.233 62.716 63.200 -0.419 0.000 0.818 716 S HN 0.491 nan 8.310 nan 0.000 0.472 717 A N 1.286 123.705 122.820 -0.669 0.000 1.978 717 A HA -0.153 4.167 4.320 0.000 0.000 0.220 717 A C 2.125 179.578 177.584 -0.217 0.000 1.170 717 A CA 1.197 52.983 52.037 -0.419 0.000 0.636 717 A CB -0.363 18.420 19.000 -0.361 0.000 0.810 717 A HN 0.395 nan 8.150 nan 0.000 0.448 718 Q N -0.637 119.049 119.800 -0.189 0.000 2.212 718 Q HA 0.069 4.409 4.340 0.000 0.000 0.199 718 Q C 2.132 178.070 176.000 -0.104 0.000 0.950 718 Q CA 0.781 56.532 55.803 -0.086 0.000 0.863 718 Q CB -0.266 28.494 28.738 0.036 0.000 0.944 718 Q HN 0.772 nan 8.270 nan 0.000 0.465 719 I N 1.421 121.905 120.570 -0.144 0.000 2.127 719 I HA -0.310 3.860 4.170 0.000 0.000 0.241 719 I C 2.585 178.527 176.117 -0.292 0.000 1.075 719 I CA 1.706 62.878 61.300 -0.214 0.000 1.334 719 I CB -0.507 37.375 38.000 -0.195 0.000 1.040 719 I HN 0.192 nan 8.210 nan 0.000 0.405 720 S N 0.698 116.253 115.700 -0.241 0.000 2.383 720 S HA -0.251 4.219 4.470 0.000 0.000 0.227 720 S C 2.029 176.588 174.600 -0.068 0.000 1.026 720 S CA 1.335 59.423 58.200 -0.187 0.000 0.981 720 S CB -0.372 62.883 63.200 0.092 0.000 0.818 720 S HN 0.371 nan 8.310 nan 0.000 0.472 721 K N 1.626 121.989 120.400 -0.062 0.000 2.026 721 K HA 0.058 4.378 4.320 0.000 0.000 0.208 721 K C 2.335 178.907 176.600 -0.047 0.000 1.048 721 K CA 1.143 57.413 56.287 -0.029 0.000 0.929 721 K CB -0.704 31.777 32.500 -0.031 0.000 0.713 721 K HN 0.440 nan 8.250 nan 0.000 0.439 722 A N 1.154 123.918 122.820 -0.093 0.000 1.902 722 A HA -0.139 4.181 4.320 0.000 0.000 0.217 722 A C 2.112 179.627 177.584 -0.115 0.000 1.181 722 A CA 1.441 53.420 52.037 -0.097 0.000 0.623 722 A CB -0.706 18.224 19.000 -0.116 0.000 0.818 722 A HN 0.326 nan 8.150 nan 0.000 0.443 723 L N -0.512 120.583 121.223 -0.214 0.000 2.046 723 L HA -0.175 4.165 4.340 0.000 0.000 0.208 723 L C 2.535 179.410 176.870 0.008 0.000 1.077 723 L CA 1.127 55.842 54.840 -0.209 0.000 0.747 723 L CB -0.677 41.041 42.059 -0.568 0.000 0.896 723 L HN 0.254 nan 8.230 nan 0.000 0.432 724 V N -0.116 119.843 119.914 0.075 0.000 2.295 724 V HA -0.299 3.821 4.120 0.000 0.000 0.246 724 V C 2.044 178.176 176.094 0.062 0.000 1.049 724 V CA 1.997 64.369 62.300 0.120 0.000 1.024 724 V CB -0.557 31.337 31.823 0.119 0.000 0.648 724 V HN 0.438 nan 8.190 nan 0.000 0.447 725 D N 0.329 120.746 120.400 0.029 0.000 2.218 725 D HA -0.111 4.529 4.640 0.000 0.000 0.204 725 D C 1.886 178.199 176.300 0.022 0.000 0.976 725 D CA 1.650 55.662 54.000 0.020 0.000 0.853 725 D CB -0.163 40.640 40.800 0.006 0.000 0.939 725 D HN 0.566 nan 8.370 nan 0.000 0.481 726 V N -3.739 116.189 119.914 0.023 0.000 3.650 726 V HA 0.456 4.576 4.120 0.000 0.000 0.271 726 V C 1.439 177.563 176.094 0.050 0.000 1.281 726 V CA 0.478 62.797 62.300 0.031 0.000 1.120 726 V CB -0.089 31.750 31.823 0.027 0.000 0.856 726 V HN 0.169 nan 8.190 nan 0.000 0.443 727 G N 0.678 109.516 108.800 0.064 0.000 2.149 727 G HA2 -0.169 3.791 3.960 0.000 0.000 0.235 727 G HA3 -0.169 3.791 3.960 0.000 0.000 0.235 727 G C 0.068 175.034 174.900 0.110 0.000 1.018 727 G CA 0.313 45.461 45.100 0.080 0.000 0.728 727 G HN 1.695 nan 8.290 nan 0.000 0.508 728 V N -0.482 119.514 119.914 0.137 0.000 2.432 728 V HA 0.680 4.800 4.120 0.000 0.000 0.275 728 V C 0.254 176.540 176.094 0.321 0.000 1.043 728 V CA -0.419 61.998 62.300 0.194 0.000 0.925 728 V CB 1.581 33.516 31.823 0.187 0.000 0.985 728 V HN 0.290 nan 8.190 nan 0.000 0.466 729 D N 5.451 126.014 120.400 0.271 0.000 2.341 729 D HA 0.576 5.216 4.640 0.000 0.000 0.245 729 D C -0.456 176.085 176.300 0.401 0.000 1.106 729 D CA 0.339 54.489 54.000 0.249 0.000 0.905 729 D CB 0.781 41.658 40.800 0.128 0.000 1.202 729 D HN 0.681 nan 8.370 nan 0.000 0.426 730 F N -0.465 119.558 119.950 0.121 0.000 2.817 730 F HA 0.444 4.971 4.527 0.000 0.000 0.317 730 F C -1.438 174.411 175.800 0.081 0.000 1.168 730 F CA -1.184 56.906 58.000 0.150 0.000 0.911 730 F CB 0.843 39.955 39.000 0.186 0.000 1.337 730 F HN 0.070 nan 8.300 nan 0.000 0.464 731 Q N 1.413 121.266 119.800 0.088 0.000 2.235 731 Q HA 0.792 5.132 4.340 0.000 0.000 0.256 731 Q C -0.893 175.077 176.000 -0.049 0.000 0.951 731 Q CA -0.867 54.902 55.803 -0.058 0.000 0.890 731 Q CB 2.183 30.928 28.738 0.012 0.000 1.279 731 Q HN 0.991 nan 8.270 nan 0.000 0.444 732 A N 1.883 124.655 122.820 -0.080 0.000 2.498 732 A HA 0.827 5.147 4.320 0.000 0.000 0.298 732 A C -1.273 176.274 177.584 -0.062 0.000 1.075 732 A CA -0.601 51.433 52.037 -0.006 0.000 0.714 732 A CB 1.879 20.933 19.000 0.090 0.000 1.299 732 A HN 0.615 nan 8.150 nan 0.000 0.407 733 M N 1.882 121.435 119.600 -0.078 0.000 2.206 733 M HA 0.520 5.001 4.480 0.000 0.000 0.272 733 M C -1.681 174.522 176.300 -0.161 0.000 1.012 733 M CA -0.690 54.428 55.300 -0.304 0.000 0.986 733 M CB 1.018 33.354 32.600 -0.440 0.000 1.740 733 M HN 0.857 nan 8.290 nan 0.000 0.472 734 W N 4.749 125.914 121.300 -0.224 0.000 2.381 734 W HA 0.707 5.367 4.660 0.000 0.000 0.329 734 W C -1.875 174.377 176.519 -0.445 0.000 1.157 734 W CA -0.657 56.614 57.345 -0.124 0.000 1.240 734 W CB 0.218 29.625 29.460 -0.087 0.000 1.199 734 W HN 0.615 nan 8.180 nan 0.000 0.579 735 Y N 2.939 123.332 120.300 0.154 0.000 2.478 735 Y HA 0.262 4.812 4.550 0.000 0.000 0.329 735 Y C 0.593 176.578 175.900 0.141 0.000 0.967 735 Y CA -1.064 57.055 58.100 0.032 0.000 1.255 735 Y CB 0.945 39.406 38.460 0.003 0.000 1.103 735 Y HN 0.427 nan 8.280 nan 0.000 0.497 736 T N 4.607 119.309 114.554 0.247 0.000 2.750 736 T HA -0.063 4.287 4.350 0.000 0.000 0.277 736 T C 0.155 174.919 174.700 0.106 0.000 0.996 736 T CA 0.877 63.084 62.100 0.178 0.000 1.195 736 T CB -0.270 68.649 68.868 0.085 0.000 0.963 736 T HN 0.709 nan 8.240 nan 0.000 0.516 737 D N 0.844 121.284 120.400 0.066 0.000 3.077 737 D HA -0.119 4.521 4.640 0.000 0.000 0.212 737 D C 0.164 176.570 176.300 0.177 0.000 1.125 737 D CA 1.032 54.994 54.000 -0.064 0.000 0.970 737 D CB -0.448 40.094 40.800 -0.429 0.000 1.110 737 D HN 0.561 nan 8.370 nan 0.000 0.419 738 E N 1.048 121.378 120.200 0.218 0.000 2.301 738 E HA 0.315 4.665 4.350 0.000 0.000 0.275 738 E C 0.784 177.559 176.600 0.291 0.000 1.030 738 E CA -0.275 56.276 56.400 0.252 0.000 0.852 738 E CB 1.139 30.976 29.700 0.229 0.000 1.060 738 E HN 0.356 nan 8.360 nan 0.000 0.401 739 D N 0.207 120.795 120.400 0.314 0.000 2.475 739 D HA -0.029 4.611 4.640 0.000 0.000 0.286 739 D C 1.106 177.635 176.300 0.383 0.000 1.205 739 D CA -0.074 54.137 54.000 0.352 0.000 1.092 739 D CB -0.133 40.903 40.800 0.394 0.000 1.147 739 D HN 0.412 nan 8.370 nan 0.000 0.575 740 H N -1.624 117.632 119.070 0.310 0.000 2.456 740 H HA 0.122 4.678 4.556 0.000 0.000 0.296 740 H C 1.943 177.538 175.328 0.444 0.000 1.079 740 H CA 2.022 58.279 56.048 0.347 0.000 1.322 740 H CB -0.402 29.552 29.762 0.320 0.000 1.388 740 H HN 0.485 nan 8.280 nan 0.000 0.538 741 G N -0.243 108.753 108.800 0.326 0.000 2.623 741 G HA2 -0.010 3.950 3.960 0.000 0.000 0.214 741 G HA3 -0.010 3.950 3.960 0.000 0.000 0.214 741 G C 0.597 175.690 174.900 0.321 0.000 1.138 741 G CA 0.281 45.493 45.100 0.188 0.000 0.794 741 G HN 0.505 nan 8.290 nan 0.000 0.535 742 I N 0.088 120.863 120.570 0.341 0.000 5.071 742 I HA -0.323 3.847 4.170 0.000 0.000 0.126 742 I C 1.432 177.665 176.117 0.193 0.000 1.290 742 I CA 0.177 61.610 61.300 0.221 0.000 2.644 742 I CB -1.017 37.048 38.000 0.109 0.000 2.208 742 I HN 0.249 nan 8.210 nan 0.000 0.322 743 A N 1.055 123.971 122.820 0.160 0.000 2.469 743 A HA 0.331 4.651 4.320 0.000 0.000 0.245 743 A C 1.073 178.712 177.584 0.092 0.000 1.221 743 A CA 0.096 52.201 52.037 0.114 0.000 0.946 743 A CB 0.327 19.363 19.000 0.061 0.000 1.049 743 A HN 0.430 nan 8.150 nan 0.000 0.529 744 S N 0.429 116.194 115.700 0.109 0.000 2.554 744 S HA 0.023 4.493 4.470 0.000 0.000 0.290 744 S C 1.491 176.154 174.600 0.104 0.000 1.309 744 S CA 0.543 58.801 58.200 0.097 0.000 1.047 744 S CB 1.027 64.286 63.200 0.098 0.000 0.828 744 S HN 0.548 nan 8.310 nan 0.000 0.509 745 S N 2.030 117.777 115.700 0.080 0.000 2.365 745 S HA -0.191 4.279 4.470 0.000 0.000 0.225 745 S C 2.319 176.984 174.600 0.108 0.000 1.039 745 S CA 2.141 60.393 58.200 0.088 0.000 1.033 745 S CB -0.870 62.359 63.200 0.050 0.000 0.887 745 S HN 0.970 nan 8.310 nan 0.000 0.447 746 T N -0.120 114.483 114.554 0.083 0.000 2.737 746 T HA 0.107 4.457 4.350 0.000 0.000 0.265 746 T C 1.964 176.719 174.700 0.092 0.000 1.038 746 T CA 1.420 63.568 62.100 0.079 0.000 1.144 746 T CB -0.983 67.921 68.868 0.060 0.000 0.866 746 T HN 0.431 nan 8.240 nan 0.000 0.434 747 A N 1.447 124.307 122.820 0.068 0.000 1.930 747 A HA -0.077 4.243 4.320 0.000 0.000 0.217 747 A C 2.209 179.762 177.584 -0.053 0.000 1.175 747 A CA 2.049 54.071 52.037 -0.026 0.000 0.627 747 A CB -1.283 17.658 19.000 -0.098 0.000 0.815 747 A HN 0.805 nan 8.150 nan 0.000 0.443 748 H N 0.049 119.113 119.070 -0.011 0.000 2.319 748 H HA -0.170 4.386 4.556 0.000 0.000 0.299 748 H C 2.055 177.459 175.328 0.125 0.000 1.092 748 H CA 2.404 58.497 56.048 0.075 0.000 1.302 748 H CB -0.277 29.532 29.762 0.078 0.000 1.373 748 H HN 0.586 nan 8.280 nan 0.000 0.497 749 Q N -0.990 118.753 119.800 -0.095 0.000 2.124 749 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 749 Q C 2.219 178.187 176.000 -0.052 0.000 0.977 749 Q CA 1.348 57.076 55.803 -0.125 0.000 0.850 749 Q CB -0.204 28.514 28.738 -0.033 0.000 0.901 749 Q HN 0.647 nan 8.270 nan 0.000 0.429 750 H N 0.869 119.899 119.070 -0.066 0.000 2.299 750 H HA -0.066 4.490 4.556 0.000 0.000 0.302 750 H C 2.106 177.423 175.328 -0.019 0.000 1.078 750 H CA 1.354 57.401 56.048 -0.001 0.000 1.323 750 H CB -0.098 29.718 29.762 0.091 0.000 1.381 750 H HN 0.259 nan 8.280 nan 0.000 0.498 751 I N 0.300 120.844 120.570 -0.043 0.000 2.151 751 I HA -0.372 3.798 4.170 0.000 0.000 0.243 751 I C 1.911 177.789 176.117 -0.397 0.000 1.080 751 I CA 1.569 62.735 61.300 -0.224 0.000 1.339 751 I CB -0.280 37.400 38.000 -0.533 0.000 1.039 751 I HN 0.218 nan 8.210 nan 0.000 0.409 752 Y N 0.574 120.672 120.300 -0.337 0.000 2.263 752 Y HA -0.216 4.334 4.550 0.000 0.000 0.292 752 Y C 2.698 178.385 175.900 -0.356 0.000 1.130 752 Y CA 1.815 59.604 58.100 -0.520 0.000 1.179 752 Y CB -0.629 37.545 38.460 -0.477 0.000 0.998 752 Y HN 0.157 nan 8.280 nan 0.000 0.532 753 T N -1.443 113.032 114.554 -0.131 0.000 2.684 753 T HA -0.281 4.069 4.350 0.000 0.000 0.267 753 T C 1.535 176.115 174.700 -0.200 0.000 1.036 753 T CA 2.024 64.009 62.100 -0.191 0.000 1.148 753 T CB -0.546 68.219 68.868 -0.173 0.000 0.863 753 T HN 0.416 nan 8.240 nan 0.000 0.436 754 H N 0.842 119.784 119.070 -0.214 0.000 2.353 754 H HA 0.082 4.638 4.556 0.000 0.000 0.300 754 H C 2.099 177.407 175.328 -0.033 0.000 1.090 754 H CA 1.564 57.560 56.048 -0.087 0.000 1.327 754 H CB -0.241 29.460 29.762 -0.101 0.000 1.383 754 H HN 0.305 nan 8.280 nan 0.000 0.508 755 M N -1.148 118.374 119.600 -0.131 0.000 2.288 755 M HA -0.080 4.400 4.480 0.000 0.000 0.266 755 M C 2.361 178.765 176.300 0.173 0.000 1.072 755 M CA 0.995 56.227 55.300 -0.112 0.000 1.132 755 M CB 0.187 32.488 32.600 -0.497 0.000 1.386 755 M HN 0.141 nan 8.290 nan 0.000 0.432 756 S N -0.328 115.492 115.700 0.200 0.000 2.356 756 S HA -0.148 4.322 4.470 0.000 0.000 0.223 756 S C 1.741 176.415 174.600 0.123 0.000 1.032 756 S CA 1.070 59.466 58.200 0.326 0.000 1.005 756 S CB -0.570 62.811 63.200 0.301 0.000 0.867 756 S HN 0.465 nan 8.310 nan 0.000 0.449 757 H N -0.057 119.068 119.070 0.092 0.000 2.352 757 H HA -0.076 4.480 4.556 0.000 0.000 0.299 757 H C 1.990 177.317 175.328 -0.002 0.000 1.097 757 H CA 1.435 57.494 56.048 0.019 0.000 1.311 757 H CB -0.788 28.944 29.762 -0.051 0.000 1.377 757 H HN 0.447 nan 8.280 nan 0.000 0.504 758 F N 1.187 121.121 119.950 -0.026 0.000 2.102 758 F HA -0.171 4.356 4.527 0.000 0.000 0.298 758 F C 2.352 178.103 175.800 -0.081 0.000 1.105 758 F CA 0.919 58.874 58.000 -0.074 0.000 1.239 758 F CB -0.246 38.680 39.000 -0.123 0.000 0.991 758 F HN -0.038 nan 8.300 nan 0.000 0.474 759 I N 0.511 121.082 120.570 0.003 0.000 2.315 759 I HA -0.248 3.922 4.170 0.000 0.000 0.248 759 I C 2.203 178.089 176.117 -0.384 0.000 1.117 759 I CA 1.409 62.528 61.300 -0.302 0.000 1.404 759 I CB -1.197 36.684 38.000 -0.199 0.000 1.071 759 I HN 0.231 nan 8.210 nan 0.000 0.419 760 K N 0.636 120.970 120.400 -0.110 0.000 2.001 760 K HA -0.240 4.080 4.320 0.000 0.000 0.208 760 K C 2.064 178.657 176.600 -0.011 0.000 1.048 760 K CA 1.701 57.987 56.287 -0.002 0.000 0.932 760 K CB -0.252 32.299 32.500 0.086 0.000 0.715 760 K HN 0.346 nan 8.250 nan 0.000 0.437 761 Q N 1.108 120.870 119.800 -0.064 0.000 2.096 761 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 761 Q C 2.208 178.137 176.000 -0.118 0.000 0.982 761 Q CA 2.087 57.842 55.803 -0.081 0.000 0.850 761 Q CB -0.975 27.701 28.738 -0.102 0.000 0.901 761 Q HN 0.364 nan 8.270 nan 0.000 0.422 762 c N -0.478 117.959 118.600 -0.272 0.000 2.413 762 c HA -0.049 4.521 4.570 0.000 0.000 0.277 762 c C 1.816 175.978 174.090 0.120 0.000 1.265 762 c CA 0.522 56.720 56.329 -0.219 0.000 1.752 762 c CB -1.306 40.915 42.510 -0.481 0.000 1.998 762 c HN 0.675 nan 8.230 nan 0.000 0.489 763 F N 1.406 121.323 119.950 -0.056 0.000 2.727 763 F HA 0.249 4.776 4.527 0.000 0.000 0.302 763 F C 1.669 177.460 175.800 -0.015 0.000 1.097 763 F CA 0.492 58.481 58.000 -0.018 0.000 1.330 763 F CB -1.117 37.880 39.000 -0.004 0.000 1.084 763 F HN 0.252 nan 8.300 nan 0.000 0.578 764 S N 0.860 116.651 115.700 0.151 0.000 3.749 764 S HA -0.202 4.268 4.470 0.000 0.000 0.348 764 S C -0.022 174.627 174.600 0.082 0.000 1.045 764 S CA 0.064 58.313 58.200 0.082 0.000 1.051 764 S CB -2.200 61.034 63.200 0.056 0.000 0.898 764 S HN 0.217 nan 8.310 nan 0.000 0.472 765 L N 1.091 122.376 121.223 0.104 0.000 2.289 765 L HA 0.455 4.795 4.340 0.000 0.000 0.285 765 L C -1.333 175.585 176.870 0.079 0.000 1.049 765 L CA -2.135 52.763 54.840 0.096 0.000 0.804 765 L CB 0.357 42.491 42.059 0.125 0.000 1.195 765 L HN 0.019 nan 8.230 nan 0.000 0.428 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.138 63.100 0.063 0.000 0.800 766 P CB 0.000 31.732 31.700 0.054 0.000 0.726