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 2onc_1_D DATA FIRST_RESID 40 DATA SEQUENCE AKTYTLTDYL KNTYRLKLYS LRWISDHEYL YKXXXNILVF 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 DXXDcTFITK 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 A HA 0.000 nan 4.320 nan 0.000 0.244 40 A C 0.000 177.640 177.584 0.093 0.000 1.274 40 A CA 0.000 52.087 52.037 0.083 0.000 0.836 40 A CB 0.000 19.039 19.000 0.065 0.000 0.831 41 K N 1.295 121.754 120.400 0.098 0.000 2.098 41 K HA 0.630 4.950 4.320 0.000 0.000 0.257 41 K C 0.091 176.767 176.600 0.127 0.000 0.999 41 K CA 0.302 56.657 56.287 0.113 0.000 0.924 41 K CB 0.947 33.521 32.500 0.122 0.000 1.028 41 K HN 0.308 nan 8.250 nan 0.000 0.466 42 T N -2.021 112.621 114.554 0.146 0.000 2.949 42 T HA 0.177 4.527 4.350 0.000 0.000 0.287 42 T C -0.778 174.067 174.700 0.242 0.000 1.034 42 T CA -0.820 61.383 62.100 0.171 0.000 1.018 42 T CB 0.626 69.588 68.868 0.158 0.000 1.135 42 T HN 0.564 nan 8.240 nan 0.000 0.532 43 Y N 2.960 123.344 120.300 0.141 0.000 2.616 43 Y HA 0.340 4.890 4.550 0.000 0.000 0.350 43 Y C 1.045 177.121 175.900 0.294 0.000 1.119 43 Y CA -0.466 57.761 58.100 0.211 0.000 1.467 43 Y CB -0.624 37.922 38.460 0.143 0.000 1.287 43 Y HN 0.991 nan 8.280 nan 0.000 0.504 44 T N 1.875 116.450 114.554 0.035 0.000 2.788 44 T HA 0.040 4.390 4.350 0.000 0.000 0.287 44 T C 1.147 175.729 174.700 -0.198 0.000 1.007 44 T CA -0.552 61.587 62.100 0.066 0.000 1.005 44 T CB 1.001 69.876 68.868 0.012 0.000 1.012 44 T HN 0.679 nan 8.240 nan 0.000 0.530 45 L N 1.114 122.024 121.223 -0.522 0.000 2.042 45 L HA -0.019 4.321 4.340 0.000 0.000 0.210 45 L C 2.618 179.307 176.870 -0.302 0.000 1.076 45 L CA 2.196 56.574 54.840 -0.769 0.000 0.749 45 L CB -1.537 39.972 42.059 -0.916 0.000 0.893 45 L HN 0.960 nan 8.230 nan 0.000 0.432 46 T N -0.679 113.740 114.554 -0.224 0.000 2.788 46 T HA -0.145 4.206 4.350 0.000 0.000 0.268 46 T C 1.490 176.086 174.700 -0.173 0.000 1.044 46 T CA 1.299 63.304 62.100 -0.157 0.000 1.139 46 T CB -0.396 68.405 68.868 -0.112 0.000 0.867 46 T HN 0.407 nan 8.240 nan 0.000 0.454 47 D N 0.388 120.647 120.400 -0.234 0.000 2.104 47 D HA -0.110 4.530 4.640 0.000 0.000 0.194 47 D C 1.760 177.932 176.300 -0.213 0.000 0.994 47 D CA 1.147 54.971 54.000 -0.293 0.000 0.830 47 D CB -0.405 40.135 40.800 -0.435 0.000 0.959 47 D HN 0.433 nan 8.370 nan 0.000 0.452 48 Y N 1.388 121.480 120.300 -0.347 0.000 2.181 48 Y HA -0.101 4.449 4.550 0.000 0.000 0.288 48 Y C 2.158 178.050 175.900 -0.013 0.000 1.146 48 Y CA 1.189 59.262 58.100 -0.044 0.000 1.164 48 Y CB -0.440 38.053 38.460 0.055 0.000 0.982 48 Y HN -0.088 nan 8.280 nan 0.000 0.515 49 L N -0.377 120.701 121.223 -0.242 0.000 2.313 49 L HA -0.077 4.263 4.340 0.000 0.000 0.214 49 L C 1.485 178.246 176.870 -0.181 0.000 1.119 49 L CA 1.163 55.836 54.840 -0.277 0.000 0.809 49 L CB -0.197 41.767 42.059 -0.158 0.000 0.933 49 L HN -0.012 nan 8.230 nan 0.000 0.449 50 K N -0.296 120.013 120.400 -0.152 0.000 2.414 50 K HA 0.161 4.481 4.320 0.000 0.000 0.204 50 K C -0.114 176.422 176.600 -0.107 0.000 1.026 50 K CA -0.143 56.075 56.287 -0.115 0.000 1.108 50 K CB 0.216 32.653 32.500 -0.104 0.000 0.855 50 K HN -0.012 nan 8.250 nan 0.000 0.517 51 N N -0.031 118.609 118.700 -0.101 0.000 2.714 51 N HA -0.202 4.538 4.740 0.000 0.000 0.252 51 N C 0.041 175.508 175.510 -0.071 0.000 1.014 51 N CA 0.952 53.977 53.050 -0.042 0.000 0.735 51 N CB -0.880 37.585 38.487 -0.036 0.000 0.924 51 N HN 0.190 nan 8.380 nan 0.000 0.540 52 T N -1.295 113.158 114.554 -0.170 0.000 2.788 52 T HA -0.173 4.178 4.350 0.000 0.000 0.268 52 T C 0.324 174.755 174.700 -0.448 0.000 1.044 52 T CA 1.394 63.259 62.100 -0.392 0.000 1.139 52 T CB -0.117 68.359 68.868 -0.653 0.000 0.867 52 T HN 0.358 nan 8.240 nan 0.000 0.454 53 Y N 2.139 122.527 120.300 0.145 0.000 2.575 53 Y HA 0.458 5.008 4.550 0.000 0.000 0.326 53 Y C 0.338 176.339 175.900 0.168 0.000 0.979 53 Y CA -1.371 56.835 58.100 0.176 0.000 1.286 53 Y CB 0.366 38.983 38.460 0.261 0.000 1.093 53 Y HN -0.075 nan 8.280 nan 0.000 0.501 54 R N 2.824 123.458 120.500 0.224 0.000 2.457 54 R HA 0.586 4.926 4.340 0.000 0.000 0.284 54 R C -0.853 175.556 176.300 0.182 0.000 1.024 54 R CA -0.862 55.338 56.100 0.167 0.000 1.025 54 R CB 1.368 31.726 30.300 0.097 0.000 1.063 54 R HN 0.541 nan 8.270 nan 0.000 0.493 55 L N 2.625 123.952 121.223 0.174 0.000 2.312 55 L HA 0.326 4.666 4.340 0.000 0.000 0.281 55 L C 0.212 177.163 176.870 0.136 0.000 1.070 55 L CA -0.409 54.538 54.840 0.179 0.000 0.805 55 L CB 0.985 43.169 42.059 0.208 0.000 1.174 55 L HN 0.402 nan 8.230 nan 0.000 0.434 56 K N 3.365 123.843 120.400 0.131 0.000 2.130 56 K HA 0.649 4.970 4.320 0.000 0.000 0.268 56 K C -1.168 175.444 176.600 0.019 0.000 0.983 56 K CA -0.680 55.654 56.287 0.079 0.000 0.893 56 K CB 1.685 34.231 32.500 0.077 0.000 1.066 56 K HN 0.243 nan 8.250 nan 0.000 0.450 57 L N 1.922 123.083 121.223 -0.103 0.000 2.333 57 L HA 0.356 4.696 4.340 0.000 0.000 0.269 57 L C -0.987 175.609 176.870 -0.457 0.000 1.010 57 L CA -0.578 54.026 54.840 -0.394 0.000 0.818 57 L CB 1.046 43.030 42.059 -0.125 0.000 1.306 57 L HN 0.502 nan 8.230 nan 0.000 0.430 58 Y N 1.303 120.971 120.300 -1.053 0.000 2.915 58 Y HA 0.404 4.954 4.550 0.000 0.000 0.350 58 Y C 0.207 175.952 175.900 -0.258 0.000 1.061 58 Y CA -0.148 57.607 58.100 -0.574 0.000 1.179 58 Y CB 1.231 39.289 38.460 -0.670 0.000 1.180 58 Y HN 0.550 nan 8.280 nan 0.000 0.605 59 S N 4.989 120.659 115.700 -0.049 0.000 2.465 59 S HA 0.618 5.088 4.470 0.000 0.000 0.279 59 S C -0.878 173.738 174.600 0.026 0.000 1.201 59 S CA -0.511 57.698 58.200 0.015 0.000 1.053 59 S CB -0.339 62.873 63.200 0.020 0.000 0.953 59 S HN 0.584 nan 8.310 nan 0.000 0.488 60 L N 3.256 124.458 121.223 -0.035 0.000 2.409 60 L HA 0.773 5.113 4.340 0.000 0.000 0.262 60 L C -0.657 176.150 176.870 -0.106 0.000 0.992 60 L CA -0.871 53.901 54.840 -0.113 0.000 0.817 60 L CB 1.764 43.531 42.059 -0.486 0.000 1.350 60 L HN 0.424 nan 8.230 nan 0.000 0.411 61 R N 1.415 121.885 120.500 -0.049 0.000 2.476 61 R HA 0.435 4.776 4.340 0.000 0.000 0.305 61 R C -1.799 174.538 176.300 0.061 0.000 0.965 61 R CA -0.368 55.757 56.100 0.042 0.000 0.867 61 R CB 1.490 31.853 30.300 0.105 0.000 1.176 61 R HN 0.691 nan 8.270 nan 0.000 0.447 62 W N 4.005 125.419 121.300 0.189 0.000 2.356 62 W HA 0.174 4.834 4.660 0.000 0.000 0.311 62 W C 0.934 177.539 176.519 0.143 0.000 1.328 62 W CA -0.441 57.021 57.345 0.195 0.000 1.251 62 W CB 0.227 29.799 29.460 0.186 0.000 1.280 62 W HN 0.578 nan 8.180 nan 0.000 0.524 63 I N 1.997 122.758 120.570 0.320 0.000 2.400 63 I HA -0.092 4.078 4.170 0.000 0.000 0.248 63 I C 1.454 177.700 176.117 0.215 0.000 1.109 63 I CA 0.933 62.350 61.300 0.195 0.000 1.425 63 I CB -0.621 37.427 38.000 0.080 0.000 1.094 63 I HN 0.363 nan 8.210 nan 0.000 0.425 64 S N -1.236 114.631 115.700 0.279 0.000 2.874 64 S HA 0.335 4.805 4.470 0.000 0.000 0.318 64 S C 0.509 175.241 174.600 0.221 0.000 1.109 64 S CA -0.477 57.864 58.200 0.235 0.000 0.878 64 S CB 1.024 64.374 63.200 0.250 0.000 1.307 64 S HN 0.098 nan 8.310 nan 0.000 0.592 65 D N -0.971 119.453 120.400 0.039 0.000 2.363 65 D HA 0.063 4.703 4.640 0.000 0.000 0.220 65 D C 1.152 177.327 176.300 -0.210 0.000 0.994 65 D CA 1.102 54.986 54.000 -0.193 0.000 0.890 65 D CB -0.017 40.563 40.800 -0.367 0.000 0.906 65 D HN 0.605 nan 8.370 nan 0.000 0.530 66 H N -1.345 117.880 119.070 0.259 0.000 2.657 66 H HA 0.299 4.855 4.556 0.000 0.000 0.262 66 H C 0.115 175.547 175.328 0.173 0.000 0.965 66 H CA 0.127 56.263 56.048 0.147 0.000 1.184 66 H CB 0.583 30.408 29.762 0.106 0.000 1.443 66 H HN 0.060 nan 8.280 nan 0.000 0.462 67 E N 0.895 121.310 120.200 0.358 0.000 2.244 67 E HA 0.367 4.717 4.350 0.000 0.000 0.266 67 E C -0.966 175.761 176.600 0.211 0.000 0.914 67 E CA -0.785 55.710 56.400 0.158 0.000 0.794 67 E CB 2.043 31.761 29.700 0.029 0.000 1.210 67 E HN 0.205 nan 8.360 nan 0.000 0.414 68 Y N -0.580 119.670 120.300 -0.082 0.000 2.790 68 Y HA 0.788 5.339 4.550 0.000 0.000 0.323 68 Y C -1.395 174.445 175.900 -0.100 0.000 1.230 68 Y CA -1.537 56.392 58.100 -0.285 0.000 1.121 68 Y CB 0.860 38.714 38.460 -1.009 0.000 1.328 68 Y HN 0.354 nan 8.280 nan 0.000 0.514 69 L N 1.317 122.683 121.223 0.239 0.000 2.381 69 L HA 0.576 4.916 4.340 0.000 0.000 0.268 69 L C -1.549 175.554 176.870 0.388 0.000 0.997 69 L CA -0.864 54.118 54.840 0.237 0.000 0.818 69 L CB 2.276 44.433 42.059 0.164 0.000 1.310 69 L HN 0.771 nan 8.230 nan 0.000 0.416 70 Y N 1.842 122.276 120.300 0.223 0.000 2.581 70 Y HA 0.378 4.928 4.550 0.000 0.000 0.337 70 Y C -0.523 175.438 175.900 0.100 0.000 1.108 70 Y CA -1.092 57.065 58.100 0.095 0.000 1.033 70 Y CB 1.904 40.341 38.460 -0.037 0.000 1.318 70 Y HN 0.516 nan 8.280 nan 0.000 0.459 76 I N 1.452 121.974 120.570 -0.081 0.000 2.519 76 I HA 0.428 4.598 4.170 0.000 0.000 0.287 76 I C -0.282 175.851 176.117 0.026 0.000 1.047 76 I CA -0.420 60.860 61.300 -0.033 0.000 1.381 76 I CB 0.508 38.473 38.000 -0.058 0.000 1.417 76 I HN 0.246 nan 8.210 nan 0.000 0.540 77 L N 5.530 126.785 121.223 0.053 0.000 2.409 77 L HA 0.427 4.767 4.340 0.000 0.000 0.262 77 L C -0.572 176.254 176.870 -0.073 0.000 0.992 77 L CA -0.556 54.255 54.840 -0.048 0.000 0.817 77 L CB 2.155 44.061 42.059 -0.256 0.000 1.350 77 L HN 0.208 nan 8.230 nan 0.000 0.411 78 V N 3.037 122.840 119.914 -0.185 0.000 2.299 78 V HA 0.280 4.400 4.120 0.000 0.000 0.255 78 V C 0.011 175.911 176.094 -0.324 0.000 1.100 78 V CA -0.269 61.882 62.300 -0.248 0.000 0.938 78 V CB -0.563 31.071 31.823 -0.316 0.000 1.139 78 V HN 0.390 nan 8.190 nan 0.000 0.490 79 F N 3.037 122.752 119.950 -0.393 0.000 2.444 79 F HA 0.294 4.821 4.527 0.000 0.000 0.331 79 F C 0.922 176.372 175.800 -0.584 0.000 1.167 79 F CA 0.251 57.931 58.000 -0.532 0.000 1.262 79 F CB 0.594 39.098 39.000 -0.827 0.000 1.196 79 F HN 0.421 nan 8.300 nan 0.000 0.583 80 N N 0.497 119.094 118.700 -0.171 0.000 2.430 80 N HA 0.460 5.200 4.740 0.000 0.000 0.290 80 N C -0.365 175.111 175.510 -0.056 0.000 1.063 80 N CA -0.245 52.733 53.050 -0.119 0.000 0.883 80 N CB 1.688 40.150 38.487 -0.042 0.000 1.465 80 N HN 0.690 nan 8.380 nan 0.000 0.493 81 A N 2.584 125.351 122.820 -0.089 0.000 2.195 81 A HA 0.027 4.347 4.320 0.000 0.000 0.210 81 A C 1.700 179.179 177.584 -0.175 0.000 1.165 81 A CA 0.348 52.327 52.037 -0.096 0.000 0.806 81 A CB -0.028 18.939 19.000 -0.054 0.000 0.847 81 A HN 0.751 nan 8.150 nan 0.000 0.482 82 E N -0.382 119.699 120.200 -0.199 0.000 1.998 82 E HA -0.194 4.156 4.350 0.000 0.000 0.196 82 E C 1.656 178.348 176.600 0.153 0.000 1.003 82 E CA 1.560 57.978 56.400 0.029 0.000 0.829 82 E CB -0.461 29.311 29.700 0.119 0.000 0.777 82 E HN 0.683 nan 8.360 nan 0.000 0.460 83 Y N -0.754 119.555 120.300 0.015 0.000 2.337 83 Y HA 0.003 4.553 4.550 0.000 0.000 0.293 83 Y C 1.363 177.271 175.900 0.015 0.000 1.123 83 Y CA 1.686 59.796 58.100 0.018 0.000 1.201 83 Y CB 0.469 38.927 38.460 -0.003 0.000 1.011 83 Y HN 0.345 nan 8.280 nan 0.000 0.545 84 G N 0.201 109.034 108.800 0.055 0.000 2.184 84 G HA2 -0.266 3.695 3.960 0.000 0.000 0.206 84 G HA3 -0.266 3.695 3.960 0.000 0.000 0.206 84 G C -0.273 174.659 174.900 0.054 0.000 0.995 84 G CA 0.147 45.245 45.100 -0.004 0.000 0.651 84 G HN 0.533 nan 8.290 nan 0.000 0.511 85 N N 0.589 119.367 118.700 0.131 0.000 2.604 85 N HA 0.800 5.540 4.740 0.000 0.000 0.297 85 N C -0.119 175.397 175.510 0.010 0.000 1.266 85 N CA 0.132 53.243 53.050 0.102 0.000 0.961 85 N CB 1.309 39.898 38.487 0.172 0.000 1.166 85 N HN 0.972 nan 8.380 nan 0.000 0.601 86 S N -2.439 113.210 115.700 -0.085 0.000 2.535 86 S HA 0.575 5.046 4.470 0.000 0.000 0.272 86 S C -1.351 173.103 174.600 -0.242 0.000 1.149 86 S CA -0.957 57.081 58.200 -0.270 0.000 0.888 86 S CB 0.557 63.364 63.200 -0.654 0.000 1.110 86 S HN 0.899 nan 8.310 nan 0.000 0.463 87 S N 1.078 116.638 115.700 -0.233 0.000 2.552 87 S HA 0.641 5.111 4.470 0.000 0.000 0.314 87 S C -0.216 174.303 174.600 -0.136 0.000 1.099 87 S CA -0.815 57.295 58.200 -0.150 0.000 1.070 87 S CB 0.980 64.127 63.200 -0.089 0.000 0.998 87 S HN 0.913 nan 8.310 nan 0.000 0.474 88 V N 4.857 124.703 119.914 -0.114 0.000 2.557 88 V HA 0.041 4.161 4.120 0.000 0.000 0.301 88 V C 0.681 176.792 176.094 0.029 0.000 1.026 88 V CA 0.520 62.776 62.300 -0.073 0.000 1.137 88 V CB -0.573 31.200 31.823 -0.083 0.000 0.917 88 V HN 0.986 nan 8.190 nan 0.000 0.484 89 F N 4.472 124.336 119.950 -0.143 0.000 2.350 89 F HA 0.430 4.957 4.527 0.000 0.000 0.253 89 F C 0.422 176.140 175.800 -0.136 0.000 1.088 89 F CA 0.054 57.979 58.000 -0.124 0.000 1.037 89 F CB 0.493 39.431 39.000 -0.104 0.000 1.107 89 F HN 0.257 nan 8.300 nan 0.000 0.603 90 L N 1.004 122.114 121.223 -0.187 0.000 2.386 90 L HA 0.327 4.667 4.340 0.000 0.000 0.271 90 L C -0.541 176.200 176.870 -0.216 0.000 0.993 90 L CA -0.427 54.213 54.840 -0.333 0.000 0.819 90 L CB 1.888 43.709 42.059 -0.396 0.000 1.294 90 L HN 0.222 nan 8.230 nan 0.000 0.414 91 E N 0.423 120.470 120.200 -0.254 0.000 2.504 91 E HA 0.207 4.557 4.350 0.000 0.000 0.253 91 E C 0.304 176.788 176.600 -0.193 0.000 1.151 91 E CA -0.181 56.104 56.400 -0.192 0.000 0.972 91 E CB 0.815 30.410 29.700 -0.175 0.000 1.247 91 E HN 0.686 nan 8.360 nan 0.000 0.519 92 N N -0.882 117.737 118.700 -0.135 0.000 2.409 92 N HA -0.105 4.636 4.740 0.000 0.000 0.179 92 N C 1.210 176.645 175.510 -0.126 0.000 1.032 92 N CA 0.837 53.829 53.050 -0.097 0.000 0.898 92 N CB 0.157 38.605 38.487 -0.065 0.000 0.971 92 N HN 0.047 nan 8.380 nan 0.000 0.441 93 S N -0.274 115.330 115.700 -0.161 0.000 2.423 93 S HA -0.142 4.328 4.470 0.000 0.000 0.231 93 S C 1.949 176.397 174.600 -0.253 0.000 1.014 93 S CA 1.465 59.568 58.200 -0.162 0.000 0.965 93 S CB -0.701 62.414 63.200 -0.142 0.000 0.785 93 S HN 0.740 nan 8.310 nan 0.000 0.495 94 T N -0.547 113.741 114.554 -0.444 0.000 2.915 94 T HA -0.003 4.347 4.350 0.000 0.000 0.269 94 T C 0.712 174.832 174.700 -0.967 0.000 1.071 94 T CA 0.884 62.520 62.100 -0.773 0.000 1.132 94 T CB -0.403 67.782 68.868 -1.138 0.000 0.878 94 T HN 0.390 nan 8.240 nan 0.000 0.479 95 F N 0.661 120.462 119.950 -0.249 0.000 2.814 95 F HA 0.447 4.974 4.527 0.000 0.000 0.326 95 F C 1.129 176.866 175.800 -0.105 0.000 1.159 95 F CA -1.743 56.094 58.000 -0.271 0.000 1.234 95 F CB 0.032 38.704 39.000 -0.546 0.000 1.016 95 F HN 0.061 nan 8.300 nan 0.000 0.510 96 D N 1.309 121.725 120.400 0.027 0.000 2.084 96 D HA -0.123 4.517 4.640 0.000 0.000 0.199 96 D C 0.535 176.894 176.300 0.098 0.000 0.981 96 D CA 1.294 55.319 54.000 0.042 0.000 0.841 96 D CB 0.107 40.898 40.800 -0.016 0.000 0.997 96 D HN 0.278 nan 8.370 nan 0.000 0.454 97 E N -0.514 119.737 120.200 0.086 0.000 1.842 97 E HA 0.136 4.486 4.350 0.000 0.000 0.278 97 E C -0.462 176.262 176.600 0.207 0.000 1.171 97 E CA -0.185 56.273 56.400 0.096 0.000 1.127 97 E CB -0.074 29.655 29.700 0.049 0.000 1.100 97 E HN 0.401 nan 8.360 nan 0.000 0.456 98 F N 0.039 120.003 119.950 0.023 0.000 2.754 98 F HA 0.274 4.802 4.527 0.000 0.000 0.316 98 F C 1.501 177.277 175.800 -0.041 0.000 0.959 98 F CA 0.776 58.806 58.000 0.049 0.000 1.148 98 F CB 0.930 39.982 39.000 0.087 0.000 0.951 98 F HN 0.471 nan 8.300 nan 0.000 0.625 99 G N 0.378 109.128 108.800 -0.084 0.000 2.490 99 G HA2 -0.204 3.756 3.960 0.000 0.000 0.214 99 G HA3 -0.204 3.756 3.960 0.000 0.000 0.214 99 G C 0.154 174.860 174.900 -0.322 0.000 1.151 99 G CA 0.138 45.046 45.100 -0.319 0.000 0.684 99 G HN 0.459 nan 8.290 nan 0.000 0.518 100 H N 1.323 120.381 119.070 -0.020 0.000 2.508 100 H HA 0.608 5.164 4.556 0.000 0.000 0.344 100 H C 0.220 175.665 175.328 0.194 0.000 1.192 100 H CA 0.333 56.431 56.048 0.083 0.000 1.290 100 H CB 1.467 31.195 29.762 -0.057 0.000 1.571 100 H HN 0.501 nan 8.280 nan 0.000 0.555 101 S N 2.073 117.931 115.700 0.263 0.000 2.480 101 S HA 0.290 4.760 4.470 0.000 0.000 0.286 101 S C 0.315 174.998 174.600 0.137 0.000 1.180 101 S CA -0.980 57.313 58.200 0.156 0.000 1.075 101 S CB 0.615 63.875 63.200 0.100 0.000 0.996 101 S HN 0.318 nan 8.310 nan 0.000 0.487 102 I N 3.283 123.876 120.570 0.038 0.000 2.436 102 I HA 0.145 4.315 4.170 0.000 0.000 0.289 102 I C 1.305 177.427 176.117 0.008 0.000 1.083 102 I CA -0.124 61.166 61.300 -0.015 0.000 1.372 102 I CB -0.301 37.612 38.000 -0.146 0.000 1.408 102 I HN 0.821 nan 8.210 nan 0.000 0.516 103 N N 4.035 122.746 118.700 0.019 0.000 2.333 103 N HA -0.062 4.678 4.740 0.000 0.000 0.178 103 N C -0.011 175.461 175.510 -0.063 0.000 1.018 103 N CA 1.012 54.030 53.050 -0.053 0.000 0.882 103 N CB 0.462 38.894 38.487 -0.091 0.000 0.984 103 N HN 0.717 nan 8.380 nan 0.000 0.434 104 D N -2.314 118.085 120.400 -0.002 0.000 2.653 104 D HA 0.153 4.793 4.640 0.000 0.000 0.258 104 D C -1.731 174.634 176.300 0.110 0.000 1.252 104 D CA -0.529 53.487 54.000 0.027 0.000 0.777 104 D CB 0.798 41.590 40.800 -0.014 0.000 1.339 104 D HN 0.076 nan 8.370 nan 0.000 0.422 105 Y N -0.820 119.489 120.300 0.015 0.000 2.545 105 Y HA 0.787 5.337 4.550 0.000 0.000 0.348 105 Y C -1.043 174.932 175.900 0.125 0.000 1.002 105 Y CA -0.901 57.218 58.100 0.032 0.000 1.039 105 Y CB 1.778 40.218 38.460 -0.033 0.000 1.271 105 Y HN 0.139 nan 8.280 nan 0.000 0.467 106 S N 2.788 118.629 115.700 0.234 0.000 2.548 106 S HA 0.754 5.225 4.470 0.000 0.000 0.286 106 S C -1.429 173.470 174.600 0.498 0.000 1.098 106 S CA -0.709 57.664 58.200 0.289 0.000 0.930 106 S CB 0.805 64.207 63.200 0.337 0.000 1.070 106 S HN 0.678 nan 8.310 nan 0.000 0.480 107 I N 3.389 124.165 120.570 0.343 0.000 2.433 107 I HA 0.314 4.484 4.170 0.000 0.000 0.292 107 I C 0.250 176.115 176.117 -0.420 0.000 1.001 107 I CA -0.663 60.703 61.300 0.110 0.000 1.119 107 I CB 2.170 40.260 38.000 0.149 0.000 1.289 107 I HN 0.736 nan 8.210 nan 0.000 0.438 108 S N 5.738 120.813 115.700 -1.041 0.000 2.498 108 S HA 0.153 4.623 4.470 0.000 0.000 0.281 108 S C -1.846 172.430 174.600 -0.539 0.000 1.265 108 S CA -0.956 56.334 58.200 -1.517 0.000 1.071 108 S CB 0.621 62.915 63.200 -1.510 0.000 0.894 108 S HN 0.415 nan 8.310 nan 0.000 0.491 109 P HA -0.254 nan 4.420 nan 0.000 0.219 109 P C 1.174 178.426 177.300 -0.081 0.000 1.151 109 P CA 1.872 64.898 63.100 -0.123 0.000 0.850 109 P CB -0.062 31.594 31.700 -0.072 0.000 0.784 110 D N -1.521 118.827 120.400 -0.087 0.000 2.144 110 D HA -0.058 4.582 4.640 0.000 0.000 0.200 110 D C 1.406 177.680 176.300 -0.043 0.000 0.978 110 D CA 1.560 55.544 54.000 -0.027 0.000 0.833 110 D CB -1.186 39.644 40.800 0.049 0.000 0.961 110 D HN 0.264 nan 8.370 nan 0.000 0.470 111 G N 0.077 108.827 108.800 -0.083 0.000 2.167 111 G HA2 -0.260 3.700 3.960 0.000 0.000 0.194 111 G HA3 -0.260 3.700 3.960 0.000 0.000 0.194 111 G C 0.561 175.399 174.900 -0.104 0.000 1.027 111 G CA 0.319 45.384 45.100 -0.058 0.000 0.717 111 G HN 0.447 nan 8.290 nan 0.000 0.501 112 Q N -1.627 118.032 119.800 -0.235 0.000 2.316 112 Q HA 0.440 4.780 4.340 0.000 0.000 0.235 112 Q C -0.111 175.333 176.000 -0.926 0.000 0.863 112 Q CA 0.468 55.928 55.803 -0.570 0.000 0.939 112 Q CB 0.940 29.238 28.738 -0.734 0.000 1.108 112 Q HN 0.499 nan 8.270 nan 0.000 0.522 113 F N -0.008 119.875 119.950 -0.111 0.000 2.578 113 F HA 0.502 5.029 4.527 0.000 0.000 0.311 113 F C -0.718 175.102 175.800 0.034 0.000 1.094 113 F CA -1.045 56.942 58.000 -0.022 0.000 0.923 113 F CB 1.764 40.761 39.000 -0.007 0.000 1.230 113 F HN -0.197 nan 8.300 nan 0.000 0.450 114 I N 3.375 124.188 120.570 0.404 0.000 2.465 114 I HA 0.497 4.667 4.170 0.000 0.000 0.291 114 I C -1.688 174.701 176.117 0.452 0.000 1.014 114 I CA -1.103 60.424 61.300 0.378 0.000 1.093 114 I CB 1.466 39.619 38.000 0.255 0.000 1.267 114 I HN 0.513 nan 8.210 nan 0.000 0.431 115 L N 8.531 130.071 121.223 0.529 0.000 2.264 115 L HA 0.515 4.855 4.340 0.000 0.000 0.289 115 L C -1.241 175.777 176.870 0.246 0.000 1.044 115 L CA -0.077 55.002 54.840 0.398 0.000 0.807 115 L CB 0.991 43.258 42.059 0.346 0.000 1.192 115 L HN 0.475 nan 8.230 nan 0.000 0.425 116 L N 4.787 126.111 121.223 0.169 0.000 2.309 116 L HA 0.530 4.870 4.340 0.000 0.000 0.282 116 L C -0.063 176.897 176.870 0.150 0.000 1.036 116 L CA -0.424 54.443 54.840 0.045 0.000 0.806 116 L CB 1.597 43.548 42.059 -0.179 0.000 1.220 116 L HN 0.626 nan 8.230 nan 0.000 0.429 117 E N 3.415 123.652 120.200 0.062 0.000 2.165 117 E HA 0.450 4.800 4.350 0.000 0.000 0.266 117 E C -1.762 174.854 176.600 0.026 0.000 0.889 117 E CA -0.537 55.775 56.400 -0.147 0.000 0.756 117 E CB 1.381 31.042 29.700 -0.064 0.000 1.131 117 E HN 0.450 nan 8.360 nan 0.000 0.411 118 Y N 1.656 121.805 120.300 -0.251 0.000 2.689 118 Y HA 0.475 5.025 4.550 0.000 0.000 0.333 118 Y C -0.270 175.565 175.900 -0.109 0.000 1.190 118 Y CA -1.661 56.377 58.100 -0.103 0.000 1.063 118 Y CB 0.399 38.851 38.460 -0.013 0.000 1.294 118 Y HN 0.510 nan 8.280 nan 0.000 0.466 119 N N -0.484 118.191 118.700 -0.041 0.000 2.740 119 N HA -0.290 4.450 4.740 0.000 0.000 0.248 119 N C -1.201 174.284 175.510 -0.043 0.000 1.062 119 N CA 0.922 53.913 53.050 -0.098 0.000 0.704 119 N CB -1.752 36.553 38.487 -0.303 0.000 0.968 119 N HN 0.846 nan 8.380 nan 0.000 0.547 120 Y N 0.108 120.355 120.300 -0.088 0.000 2.569 120 Y HA 0.315 4.865 4.550 0.000 0.000 0.332 120 Y C 0.025 175.910 175.900 -0.025 0.000 1.120 120 Y CA -0.081 57.982 58.100 -0.061 0.000 1.416 120 Y CB 0.662 39.047 38.460 -0.124 0.000 1.210 120 Y HN -0.005 nan 8.280 nan 0.000 0.528 121 V N 7.945 127.608 119.914 -0.417 0.000 2.409 121 V HA 0.209 4.329 4.120 0.000 0.000 0.290 121 V C -0.268 175.497 176.094 -0.549 0.000 1.017 121 V CA -1.443 60.643 62.300 -0.357 0.000 0.841 121 V CB 1.299 33.017 31.823 -0.176 0.000 1.003 121 V HN 0.711 nan 8.190 nan 0.000 0.426 122 K N 3.042 123.122 120.400 -0.533 0.000 2.401 122 K HA 0.171 4.491 4.320 0.000 0.000 0.278 122 K C 0.380 176.807 176.600 -0.290 0.000 1.018 122 K CA 0.105 56.172 56.287 -0.366 0.000 0.981 122 K CB 1.169 33.631 32.500 -0.063 0.000 0.933 122 K HN 0.723 nan 8.250 nan 0.000 0.477 123 Q N 3.673 123.270 119.800 -0.339 0.000 2.263 123 Q HA 0.232 4.572 4.340 0.000 0.000 0.258 123 Q C -0.163 175.569 176.000 -0.448 0.000 0.993 123 Q CA 0.739 56.161 55.803 -0.635 0.000 0.820 123 Q CB -0.084 28.127 28.738 -0.877 0.000 1.737 123 Q HN 0.701 nan 8.270 nan 0.000 0.522 124 W N -0.185 121.095 121.300 -0.033 0.000 1.941 124 W HA 0.444 5.104 4.660 0.000 0.000 0.629 124 W C 1.806 178.297 176.519 -0.047 0.000 1.517 124 W CA -0.703 56.646 57.345 0.006 0.000 1.502 124 W CB -0.290 29.149 29.460 -0.036 0.000 3.266 124 W HN 0.155 nan 8.180 nan 0.000 0.765 125 R N -0.540 120.051 120.500 0.152 0.000 2.081 125 R HA -0.157 4.183 4.340 0.000 0.000 0.235 125 R C 1.721 177.852 176.300 -0.281 0.000 1.131 125 R CA 1.940 57.957 56.100 -0.139 0.000 0.960 125 R CB -0.419 29.677 30.300 -0.339 0.000 0.856 125 R HN 0.523 nan 8.270 nan 0.000 0.436 126 H N -1.306 117.816 119.070 0.087 0.000 2.800 126 H HA 0.147 4.703 4.556 0.000 0.000 0.257 126 H C 0.570 175.969 175.328 0.120 0.000 0.967 126 H CA 0.453 56.574 56.048 0.122 0.000 1.192 126 H CB 0.193 30.002 29.762 0.078 0.000 1.441 126 H HN 0.141 nan 8.280 nan 0.000 0.461 127 S N 1.584 117.265 115.700 -0.033 0.000 2.562 127 S HA 0.297 4.767 4.470 0.000 0.000 0.281 127 S C -0.214 174.233 174.600 -0.254 0.000 1.333 127 S CA -0.440 57.413 58.200 -0.579 0.000 1.052 127 S CB 0.353 62.791 63.200 -1.270 0.000 0.884 127 S HN 0.463 nan 8.310 nan 0.000 0.506 128 Y N -1.707 118.404 120.300 -0.314 0.000 2.764 128 Y HA 0.800 5.350 4.550 0.000 0.000 0.331 128 Y C -0.770 175.079 175.900 -0.085 0.000 1.280 128 Y CA -1.236 56.700 58.100 -0.274 0.000 1.065 128 Y CB 0.953 39.188 38.460 -0.376 0.000 1.319 128 Y HN 0.573 nan 8.280 nan 0.000 0.453 129 T N 1.072 115.658 114.554 0.052 0.000 2.916 129 T HA 0.867 5.217 4.350 0.000 0.000 0.298 129 T C -1.291 173.471 174.700 0.103 0.000 1.031 129 T CA -0.049 62.092 62.100 0.067 0.000 0.993 129 T CB 1.351 70.209 68.868 -0.017 0.000 1.045 129 T HN 1.179 nan 8.240 nan 0.000 0.454 130 A N 1.927 124.818 122.820 0.119 0.000 2.599 130 A HA 0.825 5.146 4.320 0.000 0.000 0.290 130 A C -0.846 176.577 177.584 -0.269 0.000 1.101 130 A CA -0.759 51.220 52.037 -0.096 0.000 0.674 130 A CB 1.439 20.363 19.000 -0.127 0.000 1.277 130 A HN 0.647 nan 8.150 nan 0.000 0.419 131 S N -0.293 115.024 115.700 -0.638 0.000 2.578 131 S HA 0.737 5.207 4.470 0.000 0.000 0.283 131 S C -1.427 172.629 174.600 -0.906 0.000 1.195 131 S CA -0.006 57.740 58.200 -0.758 0.000 1.050 131 S CB 0.473 62.980 63.200 -1.155 0.000 1.012 131 S HN 0.429 nan 8.310 nan 0.000 0.511 132 Y N 0.475 120.615 120.300 -0.266 0.000 2.442 132 Y HA 0.504 5.054 4.550 0.000 0.000 0.344 132 Y C -0.383 175.580 175.900 0.105 0.000 0.976 132 Y CA -0.974 57.104 58.100 -0.036 0.000 1.040 132 Y CB 1.726 40.087 38.460 -0.164 0.000 1.228 132 Y HN 0.487 nan 8.280 nan 0.000 0.451 133 D N 2.445 123.072 120.400 0.378 0.000 2.575 133 D HA 0.594 5.234 4.640 0.000 0.000 0.236 133 D C -0.905 175.549 176.300 0.258 0.000 1.075 133 D CA -0.346 53.834 54.000 0.300 0.000 0.860 133 D CB 2.319 43.377 40.800 0.430 0.000 1.475 133 D HN 0.362 nan 8.370 nan 0.000 0.474 134 I N 1.397 122.086 120.570 0.198 0.000 2.474 134 I HA 0.367 4.537 4.170 0.000 0.000 0.294 134 I C -0.926 175.354 176.117 0.271 0.000 1.005 134 I CA -0.871 60.580 61.300 0.252 0.000 1.113 134 I CB 1.269 39.364 38.000 0.158 0.000 1.289 134 I HN 0.159 nan 8.210 nan 0.000 0.436 135 Y N 2.748 123.195 120.300 0.245 0.000 2.393 135 Y HA 0.213 4.763 4.550 0.000 0.000 0.341 135 Y C 0.233 176.331 175.900 0.330 0.000 0.988 135 Y CA -0.743 57.513 58.100 0.259 0.000 1.078 135 Y CB 1.527 40.147 38.460 0.267 0.000 1.203 135 Y HN 0.465 nan 8.280 nan 0.000 0.453 136 D N 4.634 125.253 120.400 0.365 0.000 2.367 136 D HA -0.018 4.622 4.640 0.000 0.000 0.255 136 D C 1.181 177.505 176.300 0.040 0.000 1.300 136 D CA 0.463 54.559 54.000 0.161 0.000 0.959 136 D CB 0.604 41.466 40.800 0.103 0.000 1.064 136 D HN 0.771 nan 8.370 nan 0.000 0.509 137 L N 4.229 125.422 121.223 -0.049 0.000 2.089 137 L HA -0.280 4.061 4.340 0.000 0.000 0.213 137 L C 1.708 178.523 176.870 -0.092 0.000 1.079 137 L CA 1.081 55.907 54.840 -0.023 0.000 0.758 137 L CB -0.077 41.972 42.059 -0.017 0.000 0.891 137 L HN 0.396 nan 8.230 nan 0.000 0.433 138 N N 0.309 118.926 118.700 -0.138 0.000 2.080 138 N HA -0.181 4.559 4.740 0.000 0.000 0.189 138 N C 1.574 177.032 175.510 -0.087 0.000 1.036 138 N CA 1.421 54.402 53.050 -0.114 0.000 0.846 138 N CB -0.232 38.177 38.487 -0.130 0.000 1.015 138 N HN 0.364 nan 8.380 nan 0.000 0.423 139 K N 0.403 120.767 120.400 -0.059 0.000 2.426 139 K HA 0.222 4.542 4.320 0.000 0.000 0.193 139 K C -0.043 176.558 176.600 0.001 0.000 1.028 139 K CA -0.152 56.117 56.287 -0.030 0.000 1.047 139 K CB 0.481 32.972 32.500 -0.015 0.000 0.821 139 K HN 0.000 nan 8.250 nan 0.000 0.513 140 R N 1.095 121.617 120.500 0.037 0.000 3.770 140 R HA -0.171 4.169 4.340 0.000 0.000 0.305 140 R C -0.541 175.935 176.300 0.293 0.000 1.184 140 R CA 1.050 57.213 56.100 0.105 0.000 0.823 140 R CB -2.588 27.670 30.300 -0.069 0.000 1.285 140 R HN 0.605 nan 8.270 nan 0.000 0.499 141 Q N -0.159 119.772 119.800 0.218 0.000 2.345 141 Q HA 0.610 4.950 4.340 0.000 0.000 0.268 141 Q C -0.247 175.578 176.000 -0.292 0.000 1.054 141 Q CA -1.179 54.645 55.803 0.035 0.000 0.835 141 Q CB 1.831 30.571 28.738 0.004 0.000 1.339 141 Q HN 0.110 nan 8.270 nan 0.000 0.447 142 L N 2.175 123.038 121.223 -0.600 0.000 2.410 142 L HA 0.266 4.606 4.340 0.000 0.000 0.273 142 L C -0.890 175.827 176.870 -0.255 0.000 1.152 142 L CA -0.082 54.328 54.840 -0.717 0.000 0.855 142 L CB 0.439 42.196 42.059 -0.504 0.000 1.129 142 L HN 0.683 nan 8.230 nan 0.000 0.463 143 I N 4.807 125.286 120.570 -0.153 0.000 2.406 143 I HA 0.051 4.221 4.170 0.000 0.000 0.293 143 I C 1.505 177.581 176.117 -0.067 0.000 1.101 143 I CA 0.662 61.926 61.300 -0.060 0.000 1.334 143 I CB 0.714 38.699 38.000 -0.025 0.000 1.421 143 I HN 0.865 nan 8.210 nan 0.000 0.513 144 T N 1.978 116.496 114.554 -0.061 0.000 3.014 144 T HA 0.055 4.405 4.350 0.000 0.000 0.263 144 T C 0.640 175.309 174.700 -0.051 0.000 1.078 144 T CA 0.104 62.171 62.100 -0.055 0.000 1.135 144 T CB -0.119 68.720 68.868 -0.048 0.000 0.895 144 T HN 0.584 nan 8.240 nan 0.000 0.480 145 E N 1.147 121.316 120.200 -0.051 0.000 2.232 145 E HA 0.230 4.580 4.350 0.000 0.000 0.264 145 E C -0.658 175.899 176.600 -0.072 0.000 0.973 145 E CA -0.712 55.655 56.400 -0.056 0.000 0.849 145 E CB 0.847 30.520 29.700 -0.045 0.000 1.198 145 E HN 0.071 nan 8.360 nan 0.000 0.407 146 E N 0.416 120.566 120.200 -0.083 0.000 2.228 146 E HA -0.222 4.128 4.350 0.000 0.000 0.213 146 E C -0.608 175.911 176.600 -0.135 0.000 1.282 146 E CA 0.702 57.038 56.400 -0.106 0.000 0.707 146 E CB -1.432 28.211 29.700 -0.095 0.000 1.150 146 E HN 0.480 nan 8.360 nan 0.000 0.362 147 R N -0.081 120.333 120.500 -0.143 0.000 2.643 147 R HA 0.309 4.649 4.340 0.000 0.000 0.270 147 R C 1.127 177.263 176.300 -0.274 0.000 1.061 147 R CA -0.369 55.633 56.100 -0.164 0.000 1.107 147 R CB 0.492 30.721 30.300 -0.119 0.000 0.999 147 R HN 0.142 nan 8.270 nan 0.000 0.460 148 I N 4.896 125.263 120.570 -0.338 0.000 2.618 148 I HA 0.032 4.202 4.170 0.000 0.000 0.284 148 I C -1.480 174.339 176.117 -0.496 0.000 1.146 148 I CA -1.529 59.410 61.300 -0.603 0.000 1.425 148 I CB 0.236 37.832 38.000 -0.674 0.000 1.383 148 I HN 0.350 nan 8.210 nan 0.000 0.562 149 P HA 0.054 nan 4.420 nan 0.000 0.272 149 P C -0.801 176.301 177.300 -0.330 0.000 1.240 149 P CA -0.378 62.364 63.100 -0.597 0.000 0.791 149 P CB 0.424 31.400 31.700 -1.207 0.000 0.978 150 N N 1.201 119.783 118.700 -0.196 0.000 2.416 150 N HA -0.035 4.705 4.740 0.000 0.000 0.246 150 N C 0.395 175.976 175.510 0.118 0.000 1.260 150 N CA 0.377 53.387 53.050 -0.068 0.000 0.897 150 N CB -0.672 37.789 38.487 -0.045 0.000 1.110 150 N HN 0.450 nan 8.380 nan 0.000 0.439 151 N N -1.936 116.824 118.700 0.100 0.000 2.776 151 N HA -0.164 4.576 4.740 0.000 0.000 0.249 151 N C -1.036 174.646 175.510 0.287 0.000 1.111 151 N CA 0.466 53.615 53.050 0.164 0.000 0.711 151 N CB -1.471 37.109 38.487 0.155 0.000 1.065 151 N HN 0.448 nan 8.380 nan 0.000 0.556 152 T N 0.445 115.171 114.554 0.286 0.000 2.851 152 T HA 0.086 4.437 4.350 0.000 0.000 0.298 152 T C 1.419 176.272 174.700 0.255 0.000 0.977 152 T CA -0.039 62.243 62.100 0.303 0.000 1.126 152 T CB 1.359 70.308 68.868 0.135 0.000 0.916 152 T HN 0.183 nan 8.240 nan 0.000 0.529 153 Q N 1.878 121.810 119.800 0.220 0.000 2.212 153 Q HA 0.146 4.486 4.340 0.000 0.000 0.199 153 Q C 0.147 176.301 176.000 0.256 0.000 0.950 153 Q CA 0.573 56.521 55.803 0.240 0.000 0.863 153 Q CB 0.680 29.524 28.738 0.178 0.000 0.944 153 Q HN 0.705 nan 8.270 nan 0.000 0.465 154 W N 0.284 121.519 121.300 -0.108 0.000 3.479 154 W HA 0.447 5.107 4.660 0.000 0.000 0.304 154 W C -1.959 174.438 176.519 -0.203 0.000 1.243 154 W CA -0.946 56.293 57.345 -0.177 0.000 1.202 154 W CB 1.455 30.772 29.460 -0.238 0.000 1.346 154 W HN -0.256 nan 8.180 nan 0.000 0.539 155 V N 1.517 120.717 119.914 -1.190 0.000 2.789 155 V HA 0.899 5.019 4.120 0.000 0.000 0.311 155 V C -1.044 174.354 176.094 -1.161 0.000 1.073 155 V CA -0.568 61.118 62.300 -1.023 0.000 0.921 155 V CB 1.314 32.458 31.823 -1.133 0.000 1.009 155 V HN 0.553 nan 8.190 nan 0.000 0.426 156 T N 3.717 117.911 114.554 -0.599 0.000 3.193 156 T HA 0.514 4.864 4.350 0.000 0.000 0.332 156 T C -1.364 173.350 174.700 0.023 0.000 1.208 156 T CA -0.292 61.668 62.100 -0.233 0.000 1.080 156 T CB 0.896 69.854 68.868 0.150 0.000 1.180 156 T HN 0.790 nan 8.240 nan 0.000 0.469 157 W N 3.447 124.782 121.300 0.060 0.000 2.184 157 W HA 0.451 5.111 4.660 0.000 0.000 0.338 157 W C 1.179 177.430 176.519 -0.447 0.000 1.257 157 W CA -0.731 56.560 57.345 -0.090 0.000 1.243 157 W CB 0.670 30.092 29.460 -0.063 0.000 1.122 157 W HN 0.782 nan 8.180 nan 0.000 0.585 158 S N 1.846 117.095 115.700 -0.752 0.000 2.572 158 S HA 0.092 4.563 4.470 0.000 0.000 0.279 158 S C -1.800 172.510 174.600 -0.484 0.000 1.341 158 S CA -1.004 56.323 58.200 -1.455 0.000 1.043 158 S CB 1.001 63.339 63.200 -1.437 0.000 0.887 158 S HN 0.280 nan 8.310 nan 0.000 0.516 159 P HA -0.046 nan 4.420 nan 0.000 0.218 159 P C 0.304 177.562 177.300 -0.069 0.000 1.146 159 P CA 1.081 64.142 63.100 -0.065 0.000 0.813 159 P CB -0.211 31.492 31.700 0.005 0.000 0.778 160 V N -6.725 113.109 119.914 -0.133 0.000 2.876 160 V HA 0.890 5.010 4.120 0.000 0.000 0.312 160 V C 0.322 176.328 176.094 -0.147 0.000 1.085 160 V CA -0.322 61.917 62.300 -0.100 0.000 0.945 160 V CB 1.174 32.962 31.823 -0.059 0.000 1.017 160 V HN 0.405 nan 8.190 nan 0.000 0.428 161 G N 2.888 111.625 108.800 -0.106 0.000 2.512 161 G HA2 -0.136 3.824 3.960 0.000 0.000 0.240 161 G HA3 -0.136 3.824 3.960 0.000 0.000 0.240 161 G C 0.138 174.986 174.900 -0.086 0.000 1.246 161 G CA 0.543 45.568 45.100 -0.125 0.000 0.919 161 G HN 2.480 nan 8.290 nan 0.000 0.577 162 H N -0.315 118.753 119.070 -0.003 0.000 2.750 162 H HA 0.420 4.976 4.556 0.000 0.000 0.239 162 H C 0.353 175.829 175.328 0.248 0.000 1.210 162 H CA -0.173 55.918 56.048 0.070 0.000 0.936 162 H CB -0.100 29.766 29.762 0.174 0.000 2.074 162 H HN 0.491 nan 8.280 nan 0.000 0.622 163 K N 1.424 121.832 120.400 0.014 0.000 2.319 163 K HA 0.251 4.571 4.320 0.000 0.000 0.265 163 K C -0.773 175.937 176.600 0.183 0.000 1.000 163 K CA -0.525 55.779 56.287 0.028 0.000 0.943 163 K CB 1.238 33.607 32.500 -0.219 0.000 0.950 163 K HN 0.066 nan 8.250 nan 0.000 0.485 164 L N 1.744 123.107 121.223 0.232 0.000 2.441 164 L HA 0.408 4.749 4.340 0.000 0.000 0.270 164 L C -1.409 175.635 176.870 0.291 0.000 0.973 164 L CA -0.254 54.670 54.840 0.141 0.000 0.842 164 L CB 1.482 43.461 42.059 -0.134 0.000 1.239 164 L HN 0.703 nan 8.230 nan 0.000 0.406 165 A N 4.922 127.969 122.820 0.378 0.000 2.304 165 A HA 0.768 5.088 4.320 0.000 0.000 0.323 165 A C -1.465 176.122 177.584 0.006 0.000 1.195 165 A CA -0.349 51.759 52.037 0.119 0.000 0.826 165 A CB 0.539 19.494 19.000 -0.074 0.000 1.184 165 A HN 0.782 nan 8.150 nan 0.000 0.496 166 Y N -0.187 120.041 120.300 -0.119 0.000 2.581 166 Y HA 0.755 5.305 4.550 0.000 0.000 0.345 166 Y C -1.102 174.780 175.900 -0.030 0.000 1.036 166 Y CA -1.602 56.397 58.100 -0.169 0.000 1.042 166 Y CB 1.182 39.469 38.460 -0.288 0.000 1.289 166 Y HN 0.345 nan 8.280 nan 0.000 0.471 167 V N 2.386 122.391 119.914 0.151 0.000 2.417 167 V HA 0.352 4.472 4.120 0.000 0.000 0.291 167 V C -1.419 174.858 176.094 0.305 0.000 1.024 167 V CA -0.617 61.760 62.300 0.129 0.000 0.861 167 V CB 1.203 33.026 31.823 0.001 0.000 0.985 167 V HN 0.884 nan 8.190 nan 0.000 0.436 168 W N 5.063 126.427 121.300 0.106 0.000 3.042 168 W HA 0.463 5.123 4.660 0.000 0.000 0.337 168 W C 0.267 176.821 176.519 0.057 0.000 1.086 168 W CA -0.688 56.696 57.345 0.064 0.000 1.236 168 W CB 1.258 30.717 29.460 -0.001 0.000 1.381 168 W HN 0.776 nan 8.180 nan 0.000 0.472 169 N N 5.533 123.802 118.700 -0.718 0.000 2.721 169 N HA -0.355 4.385 4.740 0.000 0.000 0.249 169 N C 0.159 175.474 175.510 -0.324 0.000 1.072 169 N CA 1.093 53.744 53.050 -0.665 0.000 0.710 169 N CB -1.088 36.774 38.487 -1.041 0.000 0.993 169 N HN 0.834 nan 8.380 nan 0.000 0.547 170 N N -2.071 116.509 118.700 -0.200 0.000 2.878 170 N HA -0.161 4.579 4.740 0.000 0.000 0.247 170 N C -1.375 174.051 175.510 -0.140 0.000 1.021 170 N CA 0.993 53.949 53.050 -0.156 0.000 0.873 170 N CB -0.343 38.010 38.487 -0.223 0.000 1.128 170 N HN 0.407 nan 8.380 nan 0.000 0.571 171 D N 0.613 120.944 120.400 -0.116 0.000 2.481 171 D HA 0.470 5.110 4.640 0.000 0.000 0.244 171 D C 0.166 176.346 176.300 -0.201 0.000 1.057 171 D CA -0.397 53.483 54.000 -0.200 0.000 0.848 171 D CB 1.633 42.274 40.800 -0.266 0.000 1.388 171 D HN 0.043 nan 8.370 nan 0.000 0.475 172 I N 1.652 121.962 120.570 -0.433 0.000 2.519 172 I HA 0.191 4.361 4.170 0.000 0.000 0.287 172 I C -0.530 175.194 176.117 -0.655 0.000 1.047 172 I CA -0.098 60.917 61.300 -0.474 0.000 1.381 172 I CB 0.439 38.059 38.000 -0.633 0.000 1.417 172 I HN 0.186 nan 8.210 nan 0.000 0.540 173 Y N 3.517 123.451 120.300 -0.609 0.000 2.504 173 Y HA 0.570 5.121 4.550 0.000 0.000 0.344 173 Y C -0.615 174.943 175.900 -0.570 0.000 1.023 173 Y CA -0.877 56.810 58.100 -0.689 0.000 1.020 173 Y CB 2.160 39.895 38.460 -1.208 0.000 1.282 173 Y HN 0.102 nan 8.280 nan 0.000 0.454 174 V N 3.613 123.454 119.914 -0.123 0.000 2.531 174 V HA 0.424 4.544 4.120 0.000 0.000 0.301 174 V C -0.786 175.384 176.094 0.127 0.000 1.034 174 V CA -1.273 61.054 62.300 0.045 0.000 0.865 174 V CB 1.850 33.745 31.823 0.120 0.000 0.995 174 V HN 0.607 nan 8.190 nan 0.000 0.424 175 K N 4.792 125.285 120.400 0.154 0.000 2.367 175 K HA 0.472 4.793 4.320 0.000 0.000 0.263 175 K C 0.352 177.045 176.600 0.156 0.000 1.000 175 K CA -0.705 55.650 56.287 0.114 0.000 0.891 175 K CB 1.748 34.300 32.500 0.086 0.000 1.117 175 K HN 0.441 nan 8.250 nan 0.000 0.443 176 I N 1.132 121.800 120.570 0.164 0.000 2.353 176 I HA -0.085 4.085 4.170 0.000 0.000 0.248 176 I C 0.507 176.708 176.117 0.139 0.000 1.119 176 I CA 1.466 62.861 61.300 0.159 0.000 1.417 176 I CB -0.266 37.851 38.000 0.196 0.000 1.078 176 I HN 0.525 nan 8.210 nan 0.000 0.421 177 E N 0.036 120.303 120.200 0.112 0.000 2.248 177 E HA 0.283 4.633 4.350 0.000 0.000 0.267 177 E C -1.896 174.678 176.600 -0.042 0.000 0.877 177 E CA -2.037 54.416 56.400 0.088 0.000 0.759 177 E CB 1.766 31.518 29.700 0.087 0.000 1.182 177 E HN -0.142 nan 8.360 nan 0.000 0.418 178 P HA -0.167 nan 4.420 nan 0.000 0.220 178 P C 0.595 177.805 177.300 -0.151 0.000 1.144 178 P CA 1.478 64.428 63.100 -0.250 0.000 0.800 178 P CB 0.206 31.552 31.700 -0.589 0.000 0.772 179 N N -2.626 116.005 118.700 -0.115 0.000 2.184 179 N HA 0.094 4.834 4.740 0.000 0.000 0.206 179 N C 0.156 175.632 175.510 -0.057 0.000 1.151 179 N CA -0.145 52.862 53.050 -0.071 0.000 0.878 179 N CB -0.123 38.339 38.487 -0.041 0.000 1.014 179 N HN 0.005 nan 8.380 nan 0.000 0.512 180 L N 0.484 121.672 121.223 -0.058 0.000 2.375 180 L HA 0.562 4.902 4.340 0.000 0.000 0.268 180 L C -2.227 174.576 176.870 -0.112 0.000 1.058 180 L CA -2.422 52.378 54.840 -0.067 0.000 0.803 180 L CB 1.029 43.059 42.059 -0.048 0.000 1.212 180 L HN -0.084 nan 8.230 nan 0.000 0.451 181 P HA 0.047 nan 4.420 nan 0.000 0.271 181 P C -0.715 176.399 177.300 -0.309 0.000 1.216 181 P CA -0.342 62.654 63.100 -0.175 0.000 0.771 181 P CB 0.720 32.331 31.700 -0.148 0.000 0.864 182 S N 2.442 118.020 115.700 -0.203 0.000 2.603 182 S HA 0.352 4.822 4.470 0.000 0.000 0.268 182 S C -0.623 173.817 174.600 -0.267 0.000 1.317 182 S CA -0.350 57.729 58.200 -0.202 0.000 1.012 182 S CB 0.006 63.228 63.200 0.038 0.000 0.926 182 S HN 0.254 nan 8.310 nan 0.000 0.539 183 Y N 0.192 120.511 120.300 0.031 0.000 2.323 183 Y HA 0.480 5.030 4.550 0.000 0.000 0.331 183 Y C 0.823 176.640 175.900 -0.138 0.000 1.092 183 Y CA -0.932 57.164 58.100 -0.007 0.000 1.150 183 Y CB 0.922 39.383 38.460 0.001 0.000 1.200 183 Y HN 0.667 nan 8.280 nan 0.000 0.472 184 R N 2.962 123.410 120.500 -0.087 0.000 2.216 184 R HA 0.327 4.667 4.340 0.000 0.000 0.332 184 R C -0.110 175.938 176.300 -0.420 0.000 1.056 184 R CA -0.102 55.639 56.100 -0.598 0.000 0.901 184 R CB 0.295 30.030 30.300 -0.941 0.000 1.039 184 R HN 0.831 nan 8.270 nan 0.000 0.456 185 I N 2.034 122.300 120.570 -0.506 0.000 2.206 185 I HA -0.094 4.076 4.170 0.000 0.000 0.239 185 I C 1.093 177.035 176.117 -0.293 0.000 1.078 185 I CA 1.143 62.260 61.300 -0.305 0.000 1.367 185 I CB -0.205 37.584 38.000 -0.351 0.000 1.078 185 I HN 0.638 nan 8.210 nan 0.000 0.413 186 T N -3.371 110.881 114.554 -0.503 0.000 2.929 186 T HA 0.263 4.613 4.350 0.000 0.000 0.284 186 T C -0.485 173.919 174.700 -0.493 0.000 1.014 186 T CA -0.497 61.393 62.100 -0.349 0.000 1.051 186 T CB 1.210 69.873 68.868 -0.342 0.000 1.028 186 T HN 0.270 nan 8.240 nan 0.000 0.485 187 W N 0.064 121.260 121.300 -0.173 0.000 2.534 187 W HA 0.227 4.888 4.660 0.000 0.000 0.339 187 W C 1.836 178.301 176.519 -0.090 0.000 0.961 187 W CA -0.212 57.060 57.345 -0.121 0.000 1.545 187 W CB 0.358 29.763 29.460 -0.092 0.000 1.104 187 W HN 0.926 nan 8.180 nan 0.000 0.538 188 T N -3.055 111.534 114.554 0.058 0.000 3.040 188 T HA 0.277 4.627 4.350 0.000 0.000 0.250 188 T C 1.254 175.942 174.700 -0.020 0.000 1.058 188 T CA 0.160 62.279 62.100 0.033 0.000 0.988 188 T CB -0.086 68.802 68.868 0.034 0.000 0.993 188 T HN -0.006 nan 8.240 nan 0.000 0.519 189 G N 1.582 110.339 108.800 -0.072 0.000 2.150 189 G HA2 0.348 4.309 3.960 0.000 0.000 0.250 189 G HA3 0.348 4.309 3.960 0.000 0.000 0.250 189 G C -0.514 174.313 174.900 -0.122 0.000 1.179 189 G CA -0.211 44.818 45.100 -0.117 0.000 0.934 189 G HN 0.494 nan 8.290 nan 0.000 0.453 190 K N 1.787 122.098 120.400 -0.149 0.000 2.553 190 K HA 0.226 4.546 4.320 0.000 0.000 0.250 190 K C -0.109 176.374 176.600 -0.196 0.000 0.953 190 K CA -0.635 55.571 56.287 -0.135 0.000 0.800 190 K CB 1.410 33.867 32.500 -0.073 0.000 1.243 190 K HN 0.537 nan 8.250 nan 0.000 0.435 191 E N 3.106 123.202 120.200 -0.172 0.000 2.558 191 E HA -0.111 4.239 4.350 0.000 0.000 0.255 191 E C -0.566 175.962 176.600 -0.120 0.000 0.968 191 E CA 1.041 57.341 56.400 -0.166 0.000 0.939 191 E CB 0.229 29.863 29.700 -0.109 0.000 0.921 191 E HN 0.687 nan 8.360 nan 0.000 0.477 192 D N 2.545 122.864 120.400 -0.134 0.000 3.079 192 D HA -0.242 4.398 4.640 0.000 0.000 0.214 192 D C 0.600 176.953 176.300 0.088 0.000 1.145 192 D CA 1.453 55.493 54.000 0.066 0.000 0.958 192 D CB -0.959 39.904 40.800 0.106 0.000 1.117 192 D HN 0.512 nan 8.370 nan 0.000 0.416 193 I N -1.229 119.308 120.570 -0.056 0.000 3.990 193 I HA 0.086 4.256 4.170 0.000 0.000 0.275 193 I C 0.469 176.629 176.117 0.071 0.000 1.157 193 I CA 0.016 61.347 61.300 0.052 0.000 1.338 193 I CB 0.627 38.641 38.000 0.024 0.000 1.588 193 I HN -0.163 nan 8.210 nan 0.000 0.441 194 I N 1.224 121.737 120.570 -0.095 0.000 2.436 194 I HA 0.291 4.461 4.170 0.000 0.000 0.289 194 I C -1.474 174.551 176.117 -0.153 0.000 1.010 194 I CA -0.497 60.804 61.300 0.002 0.000 1.098 194 I CB 1.183 39.192 38.000 0.014 0.000 1.266 194 I HN 0.045 nan 8.210 nan 0.000 0.434 195 Y N 4.450 124.851 120.300 0.168 0.000 2.376 195 Y HA 0.369 4.919 4.550 0.000 0.000 0.326 195 Y C 0.325 176.314 175.900 0.148 0.000 0.970 195 Y CA -0.719 57.490 58.100 0.181 0.000 1.248 195 Y CB 0.968 39.621 38.460 0.322 0.000 1.117 195 Y HN 0.405 nan 8.280 nan 0.000 0.476 196 N N 2.332 121.103 118.700 0.117 0.000 2.437 196 N HA 0.302 5.042 4.740 0.000 0.000 0.259 196 N C 0.928 176.388 175.510 -0.084 0.000 0.983 196 N CA 0.618 53.671 53.050 0.005 0.000 0.937 196 N CB 1.746 40.143 38.487 -0.150 0.000 1.122 196 N HN 0.999 nan 8.380 nan 0.000 0.499 197 G N 1.740 110.516 108.800 -0.039 0.000 2.184 197 G HA2 -0.267 3.693 3.960 0.000 0.000 0.264 197 G HA3 -0.267 3.693 3.960 0.000 0.000 0.264 197 G C 0.173 174.958 174.900 -0.192 0.000 0.975 197 G CA 0.842 45.851 45.100 -0.152 0.000 0.642 197 G HN 0.647 nan 8.290 nan 0.000 0.536 198 I N -1.846 118.676 120.570 -0.080 0.000 3.042 198 I HA 0.827 4.997 4.170 0.000 0.000 0.310 198 I C 0.324 176.478 176.117 0.063 0.000 1.117 198 I CA -0.713 60.440 61.300 -0.246 0.000 1.003 198 I CB 2.054 39.654 38.000 -0.666 0.000 1.228 198 I HN 0.167 nan 8.210 nan 0.000 0.443 199 T N -0.714 113.782 114.554 -0.097 0.000 2.922 199 T HA 0.377 4.727 4.350 0.000 0.000 0.285 199 T C -0.221 174.201 174.700 -0.463 0.000 1.005 199 T CA -0.721 61.126 62.100 -0.423 0.000 1.061 199 T CB 1.308 70.068 68.868 -0.180 0.000 1.007 199 T HN 0.761 nan 8.240 nan 0.000 0.502 200 D N 1.018 120.833 120.400 -0.974 0.000 2.414 200 D HA 0.002 4.642 4.640 0.000 0.000 0.259 200 D C 0.998 177.183 176.300 -0.191 0.000 1.269 200 D CA -0.987 52.505 54.000 -0.846 0.000 1.028 200 D CB 0.219 40.498 40.800 -0.868 0.000 1.093 200 D HN 0.727 nan 8.370 nan 0.000 0.545 201 W N 0.285 121.497 121.300 -0.146 0.000 2.315 201 W HA -0.243 4.417 4.660 0.000 0.000 0.323 201 W C 2.260 178.661 176.519 -0.197 0.000 1.233 201 W CA 2.438 59.707 57.345 -0.127 0.000 1.267 201 W CB -0.546 28.793 29.460 -0.201 0.000 1.160 201 W HN 0.193 nan 8.180 nan 0.000 0.474 202 V N -0.076 119.935 119.914 0.162 0.000 2.515 202 V HA -0.296 3.824 4.120 0.000 0.000 0.250 202 V C 1.817 177.743 176.094 -0.280 0.000 1.058 202 V CA 1.960 64.239 62.300 -0.036 0.000 1.064 202 V CB -0.730 31.050 31.823 -0.071 0.000 0.675 202 V HN 0.325 nan 8.190 nan 0.000 0.461 203 Y N 0.482 120.599 120.300 -0.304 0.000 2.314 203 Y HA -0.136 4.414 4.550 0.000 0.000 0.293 203 Y C 2.551 178.303 175.900 -0.247 0.000 1.129 203 Y CA 1.978 59.871 58.100 -0.344 0.000 1.201 203 Y CB -0.025 38.119 38.460 -0.527 0.000 0.999 203 Y HN 0.379 nan 8.280 nan 0.000 0.541 204 E N 0.319 120.453 120.200 -0.109 0.000 2.028 204 E HA -0.272 4.078 4.350 0.000 0.000 0.191 204 E C 1.970 178.488 176.600 -0.138 0.000 0.988 204 E CA 1.521 57.875 56.400 -0.078 0.000 0.799 204 E CB 0.028 29.687 29.700 -0.068 0.000 0.755 204 E HN 0.361 nan 8.360 nan 0.000 0.447 205 E N 0.093 120.049 120.200 -0.406 0.000 2.051 205 E HA -0.133 4.217 4.350 0.000 0.000 0.189 205 E C 1.571 178.037 176.600 -0.223 0.000 0.979 205 E CA 1.388 57.542 56.400 -0.409 0.000 0.803 205 E CB 0.229 29.355 29.700 -0.956 0.000 0.761 205 E HN 0.203 nan 8.360 nan 0.000 0.451 206 E N -0.962 119.084 120.200 -0.257 0.000 2.447 206 E HA 0.115 4.465 4.350 0.000 0.000 0.204 206 E C 1.585 178.040 176.600 -0.243 0.000 0.977 206 E CA 0.263 56.554 56.400 -0.182 0.000 0.950 206 E CB 1.050 30.649 29.700 -0.168 0.000 0.975 206 E HN 0.172 nan 8.360 nan 0.000 0.496 207 V N -0.368 119.345 119.914 -0.334 0.000 2.870 207 V HA 0.054 4.174 4.120 0.000 0.000 0.232 207 V C 1.463 177.394 176.094 -0.273 0.000 1.161 207 V CA 0.647 62.681 62.300 -0.444 0.000 1.204 207 V CB -0.263 31.078 31.823 -0.802 0.000 1.003 207 V HN 0.008 nan 8.190 nan 0.000 0.499 208 F N 0.827 120.785 119.950 0.014 0.000 2.698 208 F HA 0.266 4.793 4.527 0.000 0.000 0.295 208 F C 1.644 177.396 175.800 -0.080 0.000 1.124 208 F CA 0.248 58.268 58.000 0.034 0.000 1.426 208 F CB -0.425 38.638 39.000 0.105 0.000 1.120 208 F HN 0.135 nan 8.300 nan 0.000 0.583 209 S N -0.063 115.629 115.700 -0.013 0.000 3.587 209 S HA 0.007 4.477 4.470 0.000 0.000 0.337 209 S C 0.099 174.197 174.600 -0.836 0.000 1.119 209 S CA 0.427 58.445 58.200 -0.303 0.000 0.976 209 S CB -1.846 61.293 63.200 -0.102 0.000 0.922 209 S HN 0.686 nan 8.310 nan 0.000 0.503 210 A N -0.952 121.598 122.820 -0.449 0.000 2.608 210 A HA 0.706 5.026 4.320 0.000 0.000 0.292 210 A C -0.319 177.205 177.584 -0.101 0.000 1.066 210 A CA -0.365 51.464 52.037 -0.347 0.000 0.676 210 A CB 0.310 19.145 19.000 -0.275 0.000 1.277 210 A HN 0.286 nan 8.150 nan 0.000 0.413 211 Y N 1.302 121.420 120.300 -0.302 0.000 2.231 211 Y HA 0.082 4.632 4.550 0.000 0.000 0.294 211 Y C 1.759 177.384 175.900 -0.458 0.000 1.120 211 Y CA 1.131 59.062 58.100 -0.283 0.000 1.141 211 Y CB 0.171 38.474 38.460 -0.260 0.000 1.022 211 Y HN 0.788 nan 8.280 nan 0.000 0.523 212 S N 0.831 116.015 115.700 -0.860 0.000 2.642 212 S HA 0.076 4.546 4.470 0.000 0.000 0.308 212 S C 0.067 174.195 174.600 -0.786 0.000 1.255 212 S CA 0.421 57.906 58.200 -1.191 0.000 1.057 212 S CB 0.576 62.825 63.200 -1.586 0.000 0.785 212 S HN 0.452 nan 8.310 nan 0.000 0.500 213 A N 5.754 128.121 122.820 -0.756 0.000 2.843 213 A HA 0.524 4.844 4.320 0.000 0.000 0.248 213 A C -0.466 176.459 177.584 -1.098 0.000 0.904 213 A CA -0.535 50.996 52.037 -0.843 0.000 1.091 213 A CB 0.104 19.050 19.000 -0.091 0.000 1.208 213 A HN 0.722 nan 8.150 nan 0.000 0.476 214 L N 0.173 120.635 121.223 -1.269 0.000 2.370 214 L HA 0.673 5.013 4.340 0.000 0.000 0.266 214 L C -1.155 175.177 176.870 -0.897 0.000 1.002 214 L CA -0.655 53.712 54.840 -0.788 0.000 0.818 214 L CB 2.097 43.932 42.059 -0.373 0.000 1.325 214 L HN 0.450 nan 8.230 nan 0.000 0.418 215 W N 1.786 123.124 121.300 0.063 0.000 2.802 215 W HA 0.227 4.887 4.660 0.000 0.000 0.331 215 W C -1.293 175.432 176.519 0.342 0.000 1.021 215 W CA -1.050 56.451 57.345 0.261 0.000 1.259 215 W CB 1.265 30.938 29.460 0.355 0.000 1.323 215 W HN 0.464 nan 8.180 nan 0.000 0.432 216 W N 2.210 123.741 121.300 0.384 0.000 2.202 216 W HA 0.292 4.952 4.660 0.000 0.000 0.332 216 W C 1.234 177.559 176.519 -0.323 0.000 1.263 216 W CA 0.169 57.595 57.345 0.135 0.000 1.223 216 W CB 0.789 30.290 29.460 0.068 0.000 1.128 216 W HN 0.182 nan 8.180 nan 0.000 0.573 217 S N 2.012 117.404 115.700 -0.513 0.000 2.585 217 S HA 0.140 4.610 4.470 0.000 0.000 0.273 217 S C -1.775 172.525 174.600 -0.500 0.000 1.339 217 S CA -0.982 56.349 58.200 -1.448 0.000 1.028 217 S CB 0.981 63.481 63.200 -1.168 0.000 0.906 217 S HN 0.283 nan 8.310 nan 0.000 0.528 218 P HA -0.164 nan 4.420 nan 0.000 0.218 218 P C 0.634 177.901 177.300 -0.054 0.000 1.152 218 P CA 1.615 64.663 63.100 -0.087 0.000 0.857 218 P CB -0.221 31.480 31.700 0.001 0.000 0.787 219 N N -2.139 116.522 118.700 -0.065 0.000 2.328 219 N HA 0.180 4.920 4.740 0.000 0.000 0.247 219 N C 0.897 176.368 175.510 -0.066 0.000 1.165 219 N CA 0.043 53.066 53.050 -0.045 0.000 0.873 219 N CB -0.840 37.639 38.487 -0.012 0.000 1.125 219 N HN 0.104 nan 8.380 nan 0.000 0.513 220 G N -0.438 108.323 108.800 -0.065 0.000 2.166 220 G HA2 -0.366 3.594 3.960 0.000 0.000 0.260 220 G HA3 -0.366 3.594 3.960 0.000 0.000 0.260 220 G C 0.821 175.774 174.900 0.088 0.000 0.986 220 G CA 1.117 46.190 45.100 -0.045 0.000 0.683 220 G HN 0.423 nan 8.290 nan 0.000 0.527 221 T N -0.640 113.932 114.554 0.029 0.000 2.851 221 T HA 0.288 4.638 4.350 0.000 0.000 0.262 221 T C 0.854 175.440 174.700 -0.191 0.000 1.043 221 T CA 1.078 63.111 62.100 -0.112 0.000 1.140 221 T CB 0.047 68.800 68.868 -0.191 0.000 0.872 221 T HN 0.293 nan 8.240 nan 0.000 0.446 222 F N 0.154 120.172 119.950 0.113 0.000 2.523 222 F HA 0.665 5.192 4.527 0.000 0.000 0.329 222 F C -0.410 175.513 175.800 0.204 0.000 1.061 222 F CA -1.537 56.579 58.000 0.193 0.000 0.967 222 F CB 1.458 40.669 39.000 0.352 0.000 1.218 222 F HN -0.136 nan 8.300 nan 0.000 0.480 223 L N 2.386 123.813 121.223 0.339 0.000 2.415 223 L HA 0.756 5.096 4.340 0.000 0.000 0.268 223 L C -0.687 176.311 176.870 0.214 0.000 0.984 223 L CA -0.406 54.463 54.840 0.050 0.000 0.853 223 L CB 0.756 42.549 42.059 -0.442 0.000 1.215 223 L HN 0.652 nan 8.230 nan 0.000 0.419 224 A N 4.483 127.501 122.820 0.330 0.000 2.316 224 A HA 0.776 5.096 4.320 0.000 0.000 0.284 224 A C -1.272 176.404 177.584 0.153 0.000 1.115 224 A CA -0.105 51.987 52.037 0.092 0.000 0.812 224 A CB 0.474 19.584 19.000 0.184 0.000 1.064 224 A HN 0.928 nan 8.150 nan 0.000 0.489 225 Y N -2.141 117.933 120.300 -0.378 0.000 2.641 225 Y HA 0.703 5.254 4.550 0.000 0.000 0.333 225 Y C -0.416 175.314 175.900 -0.284 0.000 1.174 225 Y CA -0.853 57.136 58.100 -0.184 0.000 1.057 225 Y CB 0.696 39.036 38.460 -0.200 0.000 1.322 225 Y HN 0.956 nan 8.280 nan 0.000 0.457 226 A N 2.054 124.965 122.820 0.152 0.000 2.320 226 A HA 0.700 5.020 4.320 0.000 0.000 0.334 226 A C -1.137 176.392 177.584 -0.092 0.000 1.147 226 A CA -0.829 51.177 52.037 -0.053 0.000 0.820 226 A CB 1.721 20.662 19.000 -0.098 0.000 1.218 226 A HN 0.799 nan 8.150 nan 0.000 0.482 227 Q N 0.890 120.556 119.800 -0.225 0.000 2.321 227 Q HA 0.600 4.940 4.340 0.000 0.000 0.270 227 Q C -2.051 173.759 176.000 -0.316 0.000 1.032 227 Q CA -0.362 55.398 55.803 -0.072 0.000 0.784 227 Q CB 1.136 30.026 28.738 0.254 0.000 1.264 227 Q HN 0.612 nan 8.270 nan 0.000 0.448 228 F N 2.245 122.312 119.950 0.194 0.000 2.443 228 F HA 0.422 4.949 4.527 0.000 0.000 0.335 228 F C 0.380 176.339 175.800 0.266 0.000 1.104 228 F CA -0.915 57.179 58.000 0.156 0.000 1.013 228 F CB 1.358 40.370 39.000 0.020 0.000 1.136 228 F HN 0.413 nan 8.300 nan 0.000 0.470 229 N N 1.878 120.796 118.700 0.363 0.000 2.479 229 N HA 0.251 4.991 4.740 0.000 0.000 0.261 229 N C -1.140 174.537 175.510 0.278 0.000 0.979 229 N CA -0.463 52.758 53.050 0.286 0.000 0.930 229 N CB 1.028 39.629 38.487 0.189 0.000 1.172 229 N HN 0.539 nan 8.380 nan 0.000 0.499 230 D N 1.392 121.974 120.400 0.304 0.000 2.643 230 D HA 0.158 4.798 4.640 0.000 0.000 0.244 230 D C 1.041 177.453 176.300 0.186 0.000 1.257 230 D CA -0.012 54.146 54.000 0.263 0.000 0.831 230 D CB 0.614 41.627 40.800 0.355 0.000 1.043 230 D HN 0.423 nan 8.370 nan 0.000 0.488 231 T N 0.151 114.794 114.554 0.148 0.000 2.684 231 T HA -0.171 4.179 4.350 0.000 0.000 0.267 231 T C 1.413 176.167 174.700 0.090 0.000 1.036 231 T CA 1.264 63.428 62.100 0.105 0.000 1.148 231 T CB -0.022 68.897 68.868 0.086 0.000 0.863 231 T HN 0.243 nan 8.240 nan 0.000 0.436 232 E N 0.345 120.598 120.200 0.089 0.000 2.463 232 E HA 0.165 4.515 4.350 0.000 0.000 0.193 232 E C -0.373 176.274 176.600 0.078 0.000 1.041 232 E CA -0.234 56.209 56.400 0.072 0.000 0.879 232 E CB 0.500 30.237 29.700 0.060 0.000 0.997 232 E HN 0.185 nan 8.360 nan 0.000 0.478 233 V N 3.693 123.667 119.914 0.100 0.000 2.470 233 V HA 0.094 4.214 4.120 0.000 0.000 0.276 233 V C -2.037 174.114 176.094 0.094 0.000 1.040 233 V CA -1.528 60.835 62.300 0.105 0.000 1.008 233 V CB 0.249 32.153 31.823 0.135 0.000 0.990 233 V HN 0.048 nan 8.190 nan 0.000 0.477 234 P HA 0.250 nan 4.420 nan 0.000 0.272 234 P C -0.672 176.665 177.300 0.063 0.000 1.223 234 P CA -0.285 62.852 63.100 0.062 0.000 0.784 234 P CB 0.496 32.229 31.700 0.055 0.000 0.923 235 L N 2.621 123.862 121.223 0.030 0.000 2.292 235 L HA 0.376 4.716 4.340 0.000 0.000 0.284 235 L C 0.593 177.425 176.870 -0.064 0.000 1.065 235 L CA -0.927 53.915 54.840 0.005 0.000 0.806 235 L CB 0.611 42.669 42.059 -0.002 0.000 1.175 235 L HN 0.305 nan 8.230 nan 0.000 0.431 236 I N 3.010 123.498 120.570 -0.137 0.000 2.474 236 I HA 0.163 4.333 4.170 0.000 0.000 0.287 236 I C -0.132 175.868 176.117 -0.195 0.000 1.048 236 I CA 0.414 61.533 61.300 -0.302 0.000 1.383 236 I CB 0.614 38.154 38.000 -0.767 0.000 1.412 236 I HN 0.588 nan 8.210 nan 0.000 0.531 237 E N 7.082 127.183 120.200 -0.165 0.000 2.248 237 E HA 0.503 4.853 4.350 0.000 0.000 0.267 237 E C -1.784 174.799 176.600 -0.028 0.000 0.877 237 E CA -0.609 55.711 56.400 -0.135 0.000 0.759 237 E CB 2.102 31.730 29.700 -0.119 0.000 1.182 237 E HN 0.561 nan 8.360 nan 0.000 0.418 238 Y N -1.817 118.400 120.300 -0.138 0.000 2.609 238 Y HA 0.537 5.087 4.550 0.000 0.000 0.336 238 Y C -0.660 175.168 175.900 -0.121 0.000 1.129 238 Y CA -1.297 56.728 58.100 -0.125 0.000 1.040 238 Y CB 0.901 39.297 38.460 -0.107 0.000 1.310 238 Y HN 0.188 nan 8.280 nan 0.000 0.460 239 S N 2.114 117.768 115.700 -0.077 0.000 2.548 239 S HA 0.359 4.829 4.470 0.000 0.000 0.277 239 S C -1.256 173.127 174.600 -0.361 0.000 1.315 239 S CA -0.372 57.634 58.200 -0.324 0.000 1.050 239 S CB 0.185 63.058 63.200 -0.545 0.000 0.918 239 S HN 0.545 nan 8.310 nan 0.000 0.497 240 F N 2.787 122.452 119.950 -0.476 0.000 2.427 240 F HA 0.402 4.929 4.527 0.000 0.000 0.348 240 F C -0.005 175.573 175.800 -0.371 0.000 1.125 240 F CA -0.789 57.015 58.000 -0.326 0.000 0.989 240 F CB 0.695 39.626 39.000 -0.115 0.000 1.165 240 F HN 0.678 nan 8.300 nan 0.000 0.442 241 Y N 2.803 122.871 120.300 -0.387 0.000 2.365 241 Y HA 0.076 4.626 4.550 0.000 0.000 0.293 241 Y C 1.685 177.460 175.900 -0.208 0.000 1.119 241 Y CA 1.078 59.035 58.100 -0.238 0.000 1.203 241 Y CB -0.486 37.840 38.460 -0.222 0.000 1.026 241 Y HN 0.736 nan 8.280 nan 0.000 0.549 242 S N -0.229 115.273 115.700 -0.330 0.000 3.633 242 S HA -0.300 4.170 4.470 0.000 0.000 0.637 242 S C -0.231 174.377 174.600 0.014 0.000 2.289 242 S CA -0.011 58.168 58.200 -0.035 0.000 2.476 242 S CB -1.372 61.954 63.200 0.210 0.000 0.330 242 S HN 0.601 nan 8.310 nan 0.000 1.787 243 D N 1.273 121.718 120.400 0.076 0.000 2.443 243 D HA 0.165 4.805 4.640 0.000 0.000 0.234 243 D C 1.598 177.920 176.300 0.038 0.000 1.172 243 D CA 0.903 54.936 54.000 0.055 0.000 0.878 243 D CB 0.384 41.224 40.800 0.066 0.000 1.204 243 D HN 0.601 nan 8.370 nan 0.000 0.453 244 E N 0.576 120.789 120.200 0.022 0.000 2.401 244 E HA -0.189 4.161 4.350 0.000 0.000 0.199 244 E C 1.224 177.832 176.600 0.013 0.000 1.023 244 E CA 0.972 57.377 56.400 0.009 0.000 0.859 244 E CB -0.148 29.550 29.700 -0.003 0.000 0.780 244 E HN 0.374 nan 8.360 nan 0.000 0.523 245 S N 0.473 116.188 115.700 0.026 0.000 2.461 245 S HA -0.063 4.407 4.470 0.000 0.000 0.228 245 S C 0.942 175.565 174.600 0.037 0.000 1.005 245 S CA -0.216 58.001 58.200 0.028 0.000 0.942 245 S CB -0.241 62.978 63.200 0.033 0.000 0.776 245 S HN 0.284 nan 8.310 nan 0.000 0.514 246 L N 2.843 124.096 121.223 0.050 0.000 2.485 246 L HA 0.272 4.612 4.340 0.000 0.000 0.279 246 L C 1.427 178.328 176.870 0.052 0.000 1.124 246 L CA 0.233 55.115 54.840 0.070 0.000 0.888 246 L CB 0.241 42.355 42.059 0.092 0.000 1.217 246 L HN 0.308 nan 8.230 nan 0.000 0.464 247 Q N 3.733 123.567 119.800 0.056 0.000 2.119 247 Q HA -0.097 4.243 4.340 0.000 0.000 0.201 247 Q C -0.513 175.396 176.000 -0.153 0.000 0.972 247 Q CA 1.296 57.077 55.803 -0.037 0.000 0.847 247 Q CB 0.180 28.923 28.738 0.009 0.000 0.903 247 Q HN 0.667 nan 8.270 nan 0.000 0.433 248 Y N 0.549 120.863 120.300 0.024 0.000 2.328 248 Y HA 0.361 4.911 4.550 0.000 0.000 0.336 248 Y C -2.053 173.864 175.900 0.029 0.000 0.960 248 Y CA -2.878 55.236 58.100 0.022 0.000 1.134 248 Y CB 1.406 39.871 38.460 0.009 0.000 1.166 248 Y HN 0.122 nan 8.280 nan 0.000 0.464 249 P HA 0.028 nan 4.420 nan 0.000 0.266 249 P C -0.718 176.609 177.300 0.046 0.000 1.195 249 P CA -0.217 62.931 63.100 0.080 0.000 0.768 249 P CB 0.712 32.446 31.700 0.056 0.000 0.838 250 K N 1.046 121.456 120.400 0.018 0.000 2.218 250 K HA 0.320 4.640 4.320 0.000 0.000 0.276 250 K C -0.175 176.380 176.600 -0.075 0.000 1.022 250 K CA -0.202 56.087 56.287 0.002 0.000 0.946 250 K CB 0.508 33.037 32.500 0.050 0.000 1.000 250 K HN 0.372 nan 8.250 nan 0.000 0.468 251 T N 2.334 116.832 114.554 -0.094 0.000 2.733 251 T HA 0.201 4.551 4.350 0.000 0.000 0.294 251 T C -0.301 174.273 174.700 -0.211 0.000 0.956 251 T CA -0.678 61.330 62.100 -0.154 0.000 0.987 251 T CB 0.751 69.550 68.868 -0.115 0.000 0.920 251 T HN 0.140 nan 8.240 nan 0.000 0.470 252 V N 5.252 124.939 119.914 -0.379 0.000 2.583 252 V HA 0.383 4.503 4.120 0.000 0.000 0.287 252 V C 0.456 176.306 176.094 -0.407 0.000 1.051 252 V CA -0.448 61.576 62.300 -0.460 0.000 1.010 252 V CB 0.863 32.201 31.823 -0.808 0.000 0.988 252 V HN 0.720 nan 8.190 nan 0.000 0.478 253 R N 3.345 123.731 120.500 -0.189 0.000 2.439 253 R HA 0.740 5.080 4.340 0.000 0.000 0.310 253 R C -1.581 174.735 176.300 0.027 0.000 0.955 253 R CA -0.485 55.560 56.100 -0.092 0.000 0.853 253 R CB 2.102 32.369 30.300 -0.055 0.000 1.171 253 R HN 0.551 nan 8.270 nan 0.000 0.449 254 V N 3.153 123.089 119.914 0.037 0.000 2.638 254 V HA 0.408 4.528 4.120 0.000 0.000 0.306 254 V C -2.449 173.707 176.094 0.103 0.000 1.052 254 V CA -2.663 59.718 62.300 0.135 0.000 0.885 254 V CB 2.060 33.948 31.823 0.109 0.000 0.999 254 V HN 0.620 nan 8.190 nan 0.000 0.424 255 P HA 0.206 nan 4.420 nan 0.000 0.266 255 P C -1.249 176.152 177.300 0.169 0.000 1.215 255 P CA 0.414 63.617 63.100 0.171 0.000 0.763 255 P CB -0.191 31.649 31.700 0.234 0.000 0.806 256 Y N 5.844 126.116 120.300 -0.046 0.000 2.298 256 Y HA 0.355 4.905 4.550 0.000 0.000 0.322 256 Y C -2.744 173.113 175.900 -0.072 0.000 1.138 256 Y CA -2.705 55.309 58.100 -0.145 0.000 1.127 256 Y CB 2.067 40.308 38.460 -0.366 0.000 1.178 256 Y HN 0.284 nan 8.280 nan 0.000 0.428 257 P HA 0.231 nan 4.420 nan 0.000 0.286 257 P C -1.119 176.232 177.300 0.085 0.000 1.321 257 P CA -0.126 63.011 63.100 0.062 0.000 0.790 257 P CB 1.268 32.983 31.700 0.025 0.000 0.897 258 K N 2.009 122.544 120.400 0.225 0.000 2.120 258 K HA 0.487 4.807 4.320 0.000 0.000 0.245 258 K C 0.574 177.269 176.600 0.158 0.000 1.024 258 K CA -0.720 55.712 56.287 0.242 0.000 0.906 258 K CB 0.519 33.175 32.500 0.261 0.000 1.051 258 K HN 0.430 nan 8.250 nan 0.000 0.491 259 A N 0.974 123.908 122.820 0.191 0.000 2.563 259 A HA 0.260 4.580 4.320 0.000 0.000 0.256 259 A C 1.208 178.829 177.584 0.063 0.000 1.056 259 A CA 1.051 53.188 52.037 0.167 0.000 0.775 259 A CB -1.352 17.824 19.000 0.294 0.000 0.973 259 A HN 0.909 nan 8.150 nan 0.000 0.516 260 G N 1.108 109.939 108.800 0.050 0.000 2.217 260 G HA2 0.112 4.072 3.960 0.000 0.000 0.246 260 G HA3 0.112 4.072 3.960 0.000 0.000 0.246 260 G C 0.729 175.644 174.900 0.025 0.000 0.990 260 G CA 0.644 45.750 45.100 0.010 0.000 0.627 260 G HN 2.178 nan 8.290 nan 0.000 0.522 261 A N -0.133 122.716 122.820 0.049 0.000 2.310 261 A HA 0.660 4.980 4.320 0.000 0.000 0.260 261 A C 0.976 178.591 177.584 0.051 0.000 1.112 261 A CA 0.463 52.532 52.037 0.053 0.000 0.804 261 A CB 0.407 19.453 19.000 0.076 0.000 1.081 261 A HN 1.204 nan 8.150 nan 0.000 0.499 262 V N 2.659 122.604 119.914 0.052 0.000 2.450 262 V HA -0.014 4.106 4.120 0.000 0.000 0.281 262 V C 0.429 176.564 176.094 0.070 0.000 1.019 262 V CA -0.092 62.240 62.300 0.053 0.000 1.062 262 V CB -0.793 31.062 31.823 0.054 0.000 0.979 262 V HN 0.758 nan 8.190 nan 0.000 0.477 263 N N 7.183 125.922 118.700 0.065 0.000 2.503 263 N HA 0.305 5.045 4.740 0.000 0.000 0.267 263 N C -2.155 173.428 175.510 0.121 0.000 1.214 263 N CA -1.361 51.746 53.050 0.095 0.000 0.959 263 N CB 0.631 39.161 38.487 0.072 0.000 1.142 263 N HN 0.404 nan 8.380 nan 0.000 0.455 264 P HA 0.037 nan 4.420 nan 0.000 0.270 264 P C -0.221 177.212 177.300 0.221 0.000 1.223 264 P CA -0.099 63.145 63.100 0.240 0.000 0.785 264 P CB 0.303 32.205 31.700 0.337 0.000 0.923 265 T N -1.807 112.862 114.554 0.191 0.000 2.937 265 T HA 0.637 4.987 4.350 0.000 0.000 0.283 265 T C -0.383 174.407 174.700 0.150 0.000 1.012 265 T CA -0.822 61.345 62.100 0.110 0.000 0.997 265 T CB 1.439 70.348 68.868 0.069 0.000 1.136 265 T HN 0.338 nan 8.240 nan 0.000 0.551 266 V N 0.147 120.108 119.914 0.078 0.000 3.012 266 V HA 0.699 4.819 4.120 0.000 0.000 0.307 266 V C -1.739 174.395 176.094 0.066 0.000 1.166 266 V CA -0.875 61.436 62.300 0.019 0.000 0.974 266 V CB 2.261 34.089 31.823 0.009 0.000 1.040 266 V HN 1.077 nan 8.190 nan 0.000 0.428 267 K N 4.560 124.945 120.400 -0.026 0.000 2.422 267 K HA 0.545 4.865 4.320 0.000 0.000 0.251 267 K C -1.751 174.714 176.600 -0.225 0.000 0.933 267 K CA -0.464 55.753 56.287 -0.115 0.000 0.798 267 K CB 2.756 35.158 32.500 -0.164 0.000 1.238 267 K HN 0.532 nan 8.250 nan 0.000 0.428 268 F N 2.458 122.133 119.950 -0.459 0.000 2.450 268 F HA 0.565 5.092 4.527 0.000 0.000 0.332 268 F C -1.102 174.154 175.800 -0.907 0.000 1.093 268 F CA -0.517 57.191 58.000 -0.488 0.000 1.003 268 F CB 0.713 39.577 39.000 -0.226 0.000 1.151 268 F HN 0.383 nan 8.300 nan 0.000 0.474 269 F N 3.535 122.816 119.950 -1.114 0.000 2.599 269 F HA 0.714 5.241 4.527 0.000 0.000 0.311 269 F C -1.026 174.160 175.800 -1.023 0.000 1.076 269 F CA -1.088 56.339 58.000 -0.956 0.000 0.937 269 F CB 2.085 40.396 39.000 -1.149 0.000 1.282 269 F HN 0.113 nan 8.300 nan 0.000 0.460 270 V N 2.359 122.099 119.914 -0.290 0.000 2.789 270 V HA 0.753 4.873 4.120 0.000 0.000 0.311 270 V C -1.279 174.942 176.094 0.212 0.000 1.073 270 V CA -0.911 61.311 62.300 -0.130 0.000 0.921 270 V CB 2.198 33.761 31.823 -0.433 0.000 1.009 270 V HN 0.590 nan 8.190 nan 0.000 0.426 271 V N 3.478 123.602 119.914 0.349 0.000 2.733 271 V HA 0.507 4.627 4.120 0.000 0.000 0.306 271 V C -0.638 175.673 176.094 0.361 0.000 1.084 271 V CA -0.596 61.914 62.300 0.351 0.000 0.905 271 V CB 2.114 34.069 31.823 0.219 0.000 1.010 271 V HN 0.993 nan 8.190 nan 0.000 0.424 272 N N 3.734 122.571 118.700 0.228 0.000 2.405 272 N HA 0.053 4.793 4.740 0.000 0.000 0.260 272 N C 1.094 176.528 175.510 -0.126 0.000 1.152 272 N CA 0.562 53.489 53.050 -0.205 0.000 0.948 272 N CB 1.760 40.070 38.487 -0.296 0.000 1.111 272 N HN 0.930 nan 8.380 nan 0.000 0.485 273 T N 0.108 114.599 114.554 -0.105 0.000 3.072 273 T HA -0.014 4.336 4.350 0.000 0.000 0.266 273 T C 0.828 175.505 174.700 -0.039 0.000 1.127 273 T CA 0.697 62.798 62.100 0.002 0.000 1.107 273 T CB 0.230 69.212 68.868 0.190 0.000 0.910 273 T HN 0.373 nan 8.240 nan 0.000 0.513 274 D N 2.001 122.337 120.400 -0.106 0.000 2.271 274 D HA 0.019 4.659 4.640 0.000 0.000 0.206 274 D C 1.641 177.883 176.300 -0.097 0.000 0.967 274 D CA 0.974 54.921 54.000 -0.089 0.000 0.867 274 D CB 0.061 40.798 40.800 -0.104 0.000 0.960 274 D HN 0.621 nan 8.370 nan 0.000 0.509 275 S N 0.446 116.080 115.700 -0.110 0.000 2.602 275 S HA 0.181 4.651 4.470 0.000 0.000 0.246 275 S C 0.314 174.834 174.600 -0.134 0.000 1.009 275 S CA -0.512 57.635 58.200 -0.089 0.000 1.052 275 S CB -0.185 62.987 63.200 -0.046 0.000 0.778 275 S HN -0.098 nan 8.310 nan 0.000 0.455 276 L N 2.769 123.848 121.223 -0.239 0.000 2.283 276 L HA 0.445 4.786 4.340 0.000 0.000 0.287 276 L C 0.459 177.001 176.870 -0.547 0.000 1.073 276 L CA 0.127 54.699 54.840 -0.446 0.000 0.822 276 L CB 0.744 42.377 42.059 -0.710 0.000 1.186 276 L HN 0.368 nan 8.230 nan 0.000 0.436 277 S N 1.469 116.989 115.700 -0.300 0.000 2.585 277 S HA 0.350 4.820 4.470 0.000 0.000 0.277 277 S C 1.194 175.784 174.600 -0.017 0.000 1.241 277 S CA -0.445 57.674 58.200 -0.134 0.000 1.041 277 S CB 1.140 64.315 63.200 -0.043 0.000 0.987 277 S HN 0.662 nan 8.310 nan 0.000 0.512 278 S N 2.718 118.507 115.700 0.147 0.000 2.406 278 S HA -0.053 4.417 4.470 0.000 0.000 0.224 278 S C 1.751 176.445 174.600 0.157 0.000 1.030 278 S CA 0.725 59.085 58.200 0.266 0.000 0.958 278 S CB -0.206 63.146 63.200 0.254 0.000 0.811 278 S HN 0.635 nan 8.310 nan 0.000 0.489 279 V N 1.273 121.245 119.914 0.096 0.000 2.970 279 V HA 0.076 4.196 4.120 0.000 0.000 0.260 279 V C 0.768 176.891 176.094 0.048 0.000 1.100 279 V CA 1.323 63.662 62.300 0.065 0.000 1.122 279 V CB 0.236 32.086 31.823 0.044 0.000 0.721 279 V HN 0.487 nan 8.190 nan 0.000 0.483 280 T N 0.195 114.778 114.554 0.048 0.000 2.886 280 T HA 0.336 4.686 4.350 0.000 0.000 0.292 280 T C -0.442 174.285 174.700 0.045 0.000 1.012 280 T CA -0.788 61.327 62.100 0.026 0.000 0.982 280 T CB 0.955 69.828 68.868 0.008 0.000 1.018 280 T HN 0.286 nan 8.240 nan 0.000 0.451 281 N N 2.713 121.429 118.700 0.027 0.000 2.412 281 N HA 0.253 4.993 4.740 0.000 0.000 0.254 281 N C 0.253 175.804 175.510 0.068 0.000 1.232 281 N CA 0.168 53.263 53.050 0.075 0.000 0.880 281 N CB 0.783 39.238 38.487 -0.054 0.000 1.076 281 N HN 0.870 nan 8.380 nan 0.000 0.458 282 A N 1.905 124.788 122.820 0.104 0.000 2.477 282 A HA 0.272 4.592 4.320 0.000 0.000 0.246 282 A C 0.670 178.289 177.584 0.059 0.000 1.078 282 A CA -0.275 51.794 52.037 0.052 0.000 0.770 282 A CB -0.129 18.889 19.000 0.030 0.000 1.011 282 A HN 0.652 nan 8.150 nan 0.000 0.494 283 T N 0.323 114.911 114.554 0.056 0.000 2.837 283 T HA 0.641 4.991 4.350 0.000 0.000 0.285 283 T C -0.094 174.668 174.700 0.104 0.000 0.984 283 T CA -0.531 61.611 62.100 0.070 0.000 1.049 283 T CB 1.065 69.978 68.868 0.074 0.000 0.947 283 T HN 0.478 nan 8.240 nan 0.000 0.472 284 S N 2.963 118.720 115.700 0.096 0.000 2.473 284 S HA 0.520 4.990 4.470 0.000 0.000 0.307 284 S C -0.173 174.568 174.600 0.234 0.000 1.094 284 S CA -0.973 57.311 58.200 0.139 0.000 1.070 284 S CB 0.687 63.896 63.200 0.016 0.000 1.019 284 S HN 0.651 nan 8.310 nan 0.000 0.480 285 I N 2.989 123.740 120.570 0.300 0.000 2.352 285 I HA 0.263 4.433 4.170 0.000 0.000 0.290 285 I C 0.586 176.871 176.117 0.280 0.000 1.036 285 I CA -0.304 61.192 61.300 0.327 0.000 1.336 285 I CB 0.431 38.707 38.000 0.460 0.000 1.407 285 I HN 0.732 nan 8.210 nan 0.000 0.497 286 Q N 6.224 126.169 119.800 0.241 0.000 2.314 286 Q HA 0.425 4.766 4.340 0.000 0.000 0.258 286 Q C -0.982 174.992 176.000 -0.044 0.000 0.954 286 Q CA -0.216 55.553 55.803 -0.056 0.000 0.890 286 Q CB 1.005 29.690 28.738 -0.088 0.000 1.210 286 Q HN 0.576 nan 8.270 nan 0.000 0.410 287 I N 4.316 124.824 120.570 -0.103 0.000 2.328 287 I HA 0.217 4.388 4.170 0.000 0.000 0.287 287 I C 0.156 176.237 176.117 -0.059 0.000 1.012 287 I CA -0.748 60.544 61.300 -0.014 0.000 1.195 287 I CB 1.413 39.436 38.000 0.039 0.000 1.350 287 I HN 0.686 nan 8.210 nan 0.000 0.464 288 T N 3.006 117.492 114.554 -0.114 0.000 2.910 288 T HA 0.622 4.972 4.350 0.000 0.000 0.293 288 T C 0.380 174.844 174.700 -0.393 0.000 1.015 288 T CA -0.870 61.100 62.100 -0.216 0.000 1.094 288 T CB 1.543 70.299 68.868 -0.186 0.000 0.968 288 T HN 0.598 nan 8.240 nan 0.000 0.521 289 A N 3.628 126.003 122.820 -0.742 0.000 2.445 289 A HA 0.519 4.839 4.320 0.000 0.000 0.242 289 A C -1.978 175.112 177.584 -0.823 0.000 1.075 289 A CA -1.318 49.875 52.037 -1.407 0.000 0.777 289 A CB -0.935 16.977 19.000 -1.813 0.000 1.013 289 A HN 0.727 nan 8.150 nan 0.000 0.493 290 P HA 0.070 nan 4.420 nan 0.000 0.270 290 P C 0.905 177.994 177.300 -0.353 0.000 1.221 290 P CA 0.805 63.663 63.100 -0.404 0.000 0.788 290 P CB 0.475 32.002 31.700 -0.288 0.000 0.904 291 A N 1.517 124.202 122.820 -0.226 0.000 1.902 291 A HA -0.157 4.163 4.320 0.000 0.000 0.217 291 A C 2.003 179.484 177.584 -0.172 0.000 1.181 291 A CA 2.161 54.088 52.037 -0.184 0.000 0.623 291 A CB -1.694 17.231 19.000 -0.126 0.000 0.818 291 A HN 0.607 nan 8.150 nan 0.000 0.443 292 S N -1.568 114.052 115.700 -0.133 0.000 2.603 292 S HA 0.064 4.534 4.470 0.000 0.000 0.229 292 S C 1.509 176.038 174.600 -0.119 0.000 0.972 292 S CA 0.995 59.134 58.200 -0.102 0.000 0.935 292 S CB -0.184 63.001 63.200 -0.025 0.000 0.769 292 S HN 0.375 nan 8.310 nan 0.000 0.536 293 M N 0.513 119.972 119.600 -0.235 0.000 2.691 293 M HA 0.373 4.853 4.480 0.000 0.000 0.261 293 M C 1.793 177.763 176.300 -0.551 0.000 1.227 293 M CA 0.677 55.751 55.300 -0.376 0.000 1.197 293 M CB -0.909 31.360 32.600 -0.551 0.000 1.294 293 M HN 0.340 nan 8.290 nan 0.000 0.508 294 L N 0.364 121.293 121.223 -0.489 0.000 2.362 294 L HA -0.135 4.205 4.340 0.000 0.000 0.219 294 L C 2.416 179.190 176.870 -0.160 0.000 1.134 294 L CA 0.207 54.842 54.840 -0.342 0.000 0.807 294 L CB -0.617 41.280 42.059 -0.270 0.000 0.927 294 L HN 0.276 nan 8.230 nan 0.000 0.447 295 I N 0.245 120.727 120.570 -0.147 0.000 2.151 295 I HA -0.167 4.003 4.170 0.000 0.000 0.243 295 I C 1.092 177.180 176.117 -0.048 0.000 1.080 295 I CA 1.953 63.199 61.300 -0.090 0.000 1.339 295 I CB -0.451 37.492 38.000 -0.095 0.000 1.039 295 I HN 0.217 nan 8.210 nan 0.000 0.409 296 G N -0.517 108.269 108.800 -0.025 0.000 3.086 296 G HA2 0.298 4.258 3.960 0.000 0.000 0.282 296 G HA3 0.298 4.258 3.960 0.000 0.000 0.282 296 G C -1.395 173.561 174.900 0.094 0.000 1.343 296 G CA -0.472 44.637 45.100 0.015 0.000 0.895 296 G HN 0.154 nan 8.290 nan 0.000 0.557 297 D N 0.686 121.105 120.400 0.031 0.000 2.443 297 D HA 0.447 5.087 4.640 0.000 0.000 0.239 297 D C 0.248 176.512 176.300 -0.061 0.000 1.136 297 D CA 0.924 54.898 54.000 -0.044 0.000 0.879 297 D CB 0.781 41.513 40.800 -0.114 0.000 1.195 297 D HN 0.628 nan 8.370 nan 0.000 0.443 298 H N -1.595 117.317 119.070 -0.263 0.000 2.948 298 H HA 0.593 5.149 4.556 0.000 0.000 0.315 298 H C -1.551 173.600 175.328 -0.294 0.000 1.360 298 H CA -0.970 54.927 56.048 -0.251 0.000 1.125 298 H CB 0.522 30.273 29.762 -0.017 0.000 1.844 298 H HN 0.268 nan 8.280 nan 0.000 0.529 299 Y N -0.132 120.352 120.300 0.306 0.000 2.602 299 Y HA 0.435 4.985 4.550 0.000 0.000 0.342 299 Y C -0.875 175.257 175.900 0.388 0.000 1.029 299 Y CA -1.390 56.891 58.100 0.301 0.000 1.080 299 Y CB 1.880 40.385 38.460 0.075 0.000 1.284 299 Y HN 0.651 nan 8.280 nan 0.000 0.485 300 L N 2.636 124.143 121.223 0.473 0.000 2.259 300 L HA 0.409 4.749 4.340 0.000 0.000 0.288 300 L C 0.274 177.134 176.870 -0.015 0.000 1.051 300 L CA -0.263 54.538 54.840 -0.064 0.000 0.824 300 L CB 0.239 42.169 42.059 -0.214 0.000 1.206 300 L HN 0.976 nan 8.230 nan 0.000 0.429 301 C N 0.768 119.977 119.300 -0.153 0.000 3.228 301 C HA 0.582 5.042 4.460 0.000 0.000 0.290 301 C C 0.284 175.245 174.990 -0.047 0.000 1.301 301 C CA -0.190 58.726 59.018 -0.170 0.000 1.703 301 C CB -1.197 26.477 27.740 -0.110 0.000 2.141 301 C HN 0.866 nan 8.230 nan 0.000 0.656 302 D N -0.249 120.081 120.400 -0.118 0.000 2.886 302 D HA 0.564 5.204 4.640 0.000 0.000 0.216 302 D C -1.518 174.518 176.300 -0.441 0.000 1.256 302 D CA -0.159 53.763 54.000 -0.131 0.000 0.844 302 D CB 2.232 42.940 40.800 -0.155 0.000 1.669 302 D HN 0.004 nan 8.370 nan 0.000 0.513 303 V N 2.855 122.437 119.914 -0.553 0.000 2.482 303 V HA 0.663 4.783 4.120 0.000 0.000 0.295 303 V C -0.604 175.087 176.094 -0.673 0.000 1.026 303 V CA -0.451 61.272 62.300 -0.962 0.000 0.856 303 V CB 1.885 32.569 31.823 -1.898 0.000 1.001 303 V HN 0.733 nan 8.190 nan 0.000 0.424 304 T N 3.379 117.606 114.554 -0.546 0.000 3.011 304 T HA 0.369 4.719 4.350 0.000 0.000 0.303 304 T C -0.934 173.570 174.700 -0.326 0.000 0.997 304 T CA -0.485 61.447 62.100 -0.281 0.000 1.007 304 T CB 0.943 69.729 68.868 -0.136 0.000 1.017 304 T HN 0.515 nan 8.240 nan 0.000 0.443 305 W N 2.167 123.366 121.300 -0.168 0.000 2.266 305 W HA 0.505 5.165 4.660 0.000 0.000 0.317 305 W C 1.126 177.493 176.519 -0.254 0.000 1.310 305 W CA -0.358 56.891 57.345 -0.161 0.000 1.207 305 W CB 0.630 30.090 29.460 0.000 0.000 1.199 305 W HN 0.893 nan 8.180 nan 0.000 0.544 306 A N 2.153 124.855 122.820 -0.196 0.000 1.896 306 A HA 0.130 4.451 4.320 0.000 0.000 0.213 306 A C 1.162 178.757 177.584 0.019 0.000 1.306 306 A CA 1.646 53.427 52.037 -0.426 0.000 0.626 306 A CB -0.762 17.687 19.000 -0.920 0.000 0.994 306 A HN 0.538 nan 8.150 nan 0.000 0.475 307 T N -4.893 109.734 114.554 0.122 0.000 2.644 307 T HA 0.361 4.711 4.350 0.000 0.000 0.253 307 T C 0.641 175.500 174.700 0.265 0.000 0.910 307 T CA -0.224 61.986 62.100 0.184 0.000 1.066 307 T CB 0.431 69.393 68.868 0.156 0.000 1.484 307 T HN 0.097 nan 8.240 nan 0.000 0.560 308 Q N 0.786 120.714 119.800 0.214 0.000 2.230 308 Q HA 0.030 4.370 4.340 0.000 0.000 0.202 308 Q C 1.279 177.498 176.000 0.364 0.000 0.963 308 Q CA 1.280 57.211 55.803 0.213 0.000 0.866 308 Q CB -0.091 28.746 28.738 0.164 0.000 0.931 308 Q HN 0.953 nan 8.270 nan 0.000 0.452 309 E N -0.191 120.219 120.200 0.350 0.000 2.812 309 E HA 0.276 4.626 4.350 0.000 0.000 0.211 309 E C 0.023 176.843 176.600 0.367 0.000 0.986 309 E CA -0.249 56.351 56.400 0.333 0.000 1.119 309 E CB 0.650 30.474 29.700 0.208 0.000 1.046 309 E HN -0.078 nan 8.360 nan 0.000 0.474 310 R N 1.287 122.028 120.500 0.401 0.000 2.621 310 R HA 0.666 5.006 4.340 0.000 0.000 0.292 310 R C -1.673 174.663 176.300 0.061 0.000 0.969 310 R CA -0.610 55.624 56.100 0.224 0.000 0.887 310 R CB 1.743 32.083 30.300 0.068 0.000 1.180 310 R HN 0.208 nan 8.270 nan 0.000 0.450 311 I N 2.432 122.876 120.570 -0.209 0.000 2.722 311 I HA 0.372 4.542 4.170 0.000 0.000 0.295 311 I C -1.324 174.473 176.117 -0.533 0.000 1.161 311 I CA -0.479 60.444 61.300 -0.628 0.000 1.032 311 I CB 2.432 39.662 38.000 -1.284 0.000 1.244 311 I HN 0.866 nan 8.210 nan 0.000 0.421 312 S N 7.159 122.507 115.700 -0.588 0.000 2.478 312 S HA 0.804 5.274 4.470 0.000 0.000 0.312 312 S C -1.191 173.079 174.600 -0.551 0.000 1.094 312 S CA -0.689 57.240 58.200 -0.451 0.000 1.081 312 S CB 1.658 64.674 63.200 -0.307 0.000 1.007 312 S HN 0.390 nan 8.310 nan 0.000 0.475 313 L N 2.494 123.407 121.223 -0.517 0.000 2.365 313 L HA 0.551 4.891 4.340 0.000 0.000 0.273 313 L C -0.092 176.463 176.870 -0.525 0.000 1.000 313 L CA -0.294 54.133 54.840 -0.689 0.000 0.819 313 L CB 2.013 43.562 42.059 -0.850 0.000 1.284 313 L HN 0.752 nan 8.230 nan 0.000 0.418 314 Q N 1.698 121.142 119.800 -0.593 0.000 2.316 314 Q HA 0.463 4.804 4.340 0.000 0.000 0.264 314 Q C -1.667 174.047 176.000 -0.476 0.000 0.987 314 Q CA -0.498 55.077 55.803 -0.380 0.000 0.852 314 Q CB 2.009 30.603 28.738 -0.240 0.000 1.287 314 Q HN 0.490 nan 8.270 nan 0.000 0.448 315 W N 2.676 123.932 121.300 -0.073 0.000 2.627 315 W HA 0.634 5.295 4.660 0.000 0.000 0.339 315 W C -0.688 175.861 176.519 0.049 0.000 1.058 315 W CA -0.518 56.833 57.345 0.010 0.000 1.223 315 W CB 1.215 30.664 29.460 -0.019 0.000 1.389 315 W HN 0.321 nan 8.180 nan 0.000 0.541 316 L N 3.315 124.760 121.223 0.370 0.000 2.410 316 L HA 0.524 4.864 4.340 0.000 0.000 0.270 316 L C 0.299 177.364 176.870 0.325 0.000 0.983 316 L CA -1.089 53.929 54.840 0.296 0.000 0.822 316 L CB 1.464 43.683 42.059 0.266 0.000 1.285 316 L HN 0.453 nan 8.230 nan 0.000 0.409 317 R N 1.884 122.539 120.500 0.257 0.000 2.774 317 R HA 0.068 4.409 4.340 0.000 0.000 0.269 317 R C 0.952 177.330 176.300 0.131 0.000 1.068 317 R CA -0.057 56.149 56.100 0.176 0.000 1.180 317 R CB 0.722 31.116 30.300 0.156 0.000 1.077 317 R HN 0.624 nan 8.270 nan 0.000 0.513 318 R N 1.153 121.645 120.500 -0.013 0.000 2.081 318 R HA -0.079 4.261 4.340 0.000 0.000 0.235 318 R C 0.284 176.653 176.300 0.114 0.000 1.131 318 R CA 1.252 57.333 56.100 -0.030 0.000 0.960 318 R CB -0.076 30.150 30.300 -0.122 0.000 0.856 318 R HN 0.405 nan 8.270 nan 0.000 0.436 319 I N 2.296 122.912 120.570 0.075 0.000 2.436 319 I HA -0.034 4.136 4.170 0.000 0.000 0.289 319 I C 0.357 176.540 176.117 0.111 0.000 1.083 319 I CA 0.645 61.990 61.300 0.075 0.000 1.372 319 I CB 1.431 39.463 38.000 0.052 0.000 1.408 319 I HN 0.185 nan 8.210 nan 0.000 0.516 320 Q N 5.440 125.299 119.800 0.097 0.000 2.414 320 Q HA 0.071 4.411 4.340 0.000 0.000 0.286 320 Q C 0.512 176.593 176.000 0.135 0.000 0.941 320 Q CA -0.057 55.817 55.803 0.118 0.000 0.951 320 Q CB -0.254 28.511 28.738 0.045 0.000 1.188 320 Q HN 0.669 nan 8.270 nan 0.000 0.418 321 N N -0.699 118.086 118.700 0.141 0.000 2.184 321 N HA -0.043 4.697 4.740 0.000 0.000 0.206 321 N C -0.914 174.711 175.510 0.192 0.000 1.151 321 N CA -0.104 53.026 53.050 0.133 0.000 0.878 321 N CB 0.412 38.960 38.487 0.101 0.000 1.014 321 N HN 0.183 nan 8.380 nan 0.000 0.512 322 Y N 1.195 121.526 120.300 0.052 0.000 2.433 322 Y HA 0.548 5.098 4.550 0.000 0.000 0.337 322 Y C -1.013 174.926 175.900 0.064 0.000 1.026 322 Y CA -0.892 57.236 58.100 0.047 0.000 1.037 322 Y CB 1.739 40.219 38.460 0.033 0.000 1.245 322 Y HN 0.147 nan 8.280 nan 0.000 0.443 323 S N 4.157 119.697 115.700 -0.266 0.000 2.569 323 S HA 0.932 5.402 4.470 0.000 0.000 0.280 323 S C -2.048 172.413 174.600 -0.233 0.000 1.111 323 S CA -0.668 57.462 58.200 -0.115 0.000 0.887 323 S CB 1.806 64.979 63.200 -0.044 0.000 1.095 323 S HN 0.484 nan 8.310 nan 0.000 0.476 324 V N 2.701 122.593 119.914 -0.036 0.000 2.789 324 V HA 0.625 4.745 4.120 0.000 0.000 0.311 324 V C -0.534 175.587 176.094 0.045 0.000 1.073 324 V CA -0.725 61.563 62.300 -0.020 0.000 0.921 324 V CB 1.927 33.773 31.823 0.039 0.000 1.009 324 V HN 1.053 nan 8.190 nan 0.000 0.426 325 M N 2.770 122.366 119.600 -0.006 0.000 2.383 325 M HA 0.632 5.112 4.480 0.000 0.000 0.325 325 M C -1.608 174.693 176.300 0.002 0.000 1.092 325 M CA -0.296 54.985 55.300 -0.032 0.000 0.961 325 M CB 1.624 34.149 32.600 -0.125 0.000 1.672 325 M HN 0.661 nan 8.290 nan 0.000 0.438 326 D N 4.143 124.541 120.400 -0.003 0.000 2.192 326 D HA 0.501 5.142 4.640 0.000 0.000 0.246 326 D C -1.198 175.060 176.300 -0.070 0.000 1.042 326 D CA -0.001 53.990 54.000 -0.016 0.000 0.847 326 D CB 1.585 42.398 40.800 0.023 0.000 1.186 326 D HN 0.469 nan 8.370 nan 0.000 0.461 327 I N 2.484 123.038 120.570 -0.027 0.000 2.339 327 I HA 0.283 4.453 4.170 0.000 0.000 0.290 327 I C -0.657 175.453 176.117 -0.012 0.000 0.994 327 I CA -0.301 60.984 61.300 -0.024 0.000 1.191 327 I CB 0.920 38.963 38.000 0.072 0.000 1.343 327 I HN 0.319 nan 8.210 nan 0.000 0.458 328 c N 4.482 123.067 118.600 -0.026 0.000 2.340 328 c HA 0.526 5.096 4.570 0.000 0.000 0.323 328 c C -0.560 173.684 174.090 0.257 0.000 1.260 328 c CA -0.931 55.454 56.329 0.093 0.000 1.464 328 c CB 0.716 43.262 42.510 0.059 0.000 2.156 328 c HN 0.588 nan 8.230 nan 0.000 0.476 329 D N 1.001 121.522 120.400 0.201 0.000 2.168 329 D HA 0.233 4.873 4.640 0.000 0.000 0.246 329 D C -0.515 175.683 176.300 -0.170 0.000 1.050 329 D CA -0.200 53.858 54.000 0.097 0.000 0.857 329 D CB 1.121 41.932 40.800 0.018 0.000 1.169 329 D HN 0.605 nan 8.370 nan 0.000 0.453 330 Y N 1.738 121.555 120.300 -0.805 0.000 2.465 330 Y HA 0.079 4.629 4.550 0.000 0.000 0.331 330 Y C 0.092 175.665 175.900 -0.545 0.000 1.102 330 Y CA 0.001 57.318 58.100 -1.305 0.000 1.358 330 Y CB 0.550 38.124 38.460 -1.476 0.000 1.213 330 Y HN 0.158 nan 8.280 nan 0.000 0.525 331 D N 5.838 125.653 120.400 -0.974 0.000 2.380 331 D HA 0.039 4.679 4.640 0.000 0.000 0.230 331 D C 0.659 176.381 176.300 -0.963 0.000 1.154 331 D CA 0.077 53.662 54.000 -0.692 0.000 0.859 331 D CB 0.995 41.551 40.800 -0.407 0.000 1.045 331 D HN 0.937 nan 8.370 nan 0.000 0.495 332 E N 1.730 121.543 120.200 -0.644 0.000 2.072 332 E HA -0.183 4.167 4.350 0.000 0.000 0.191 332 E C 1.737 178.202 176.600 -0.225 0.000 0.985 332 E CA 1.260 57.425 56.400 -0.393 0.000 0.801 332 E CB 0.343 30.001 29.700 -0.069 0.000 0.750 332 E HN 0.500 nan 8.360 nan 0.000 0.452 333 S N -0.462 115.128 115.700 -0.183 0.000 2.387 333 S HA -0.108 4.362 4.470 0.000 0.000 0.226 333 S C 2.144 176.677 174.600 -0.112 0.000 1.026 333 S CA 1.153 59.288 58.200 -0.107 0.000 0.972 333 S CB -0.051 63.100 63.200 -0.081 0.000 0.814 333 S HN 0.184 nan 8.310 nan 0.000 0.477 334 S N 1.137 116.735 115.700 -0.170 0.000 2.336 334 S HA 0.342 4.812 4.470 0.000 0.000 0.216 334 S C 1.708 176.238 174.600 -0.117 0.000 1.032 334 S CA 1.497 59.617 58.200 -0.133 0.000 0.973 334 S CB -0.780 62.334 63.200 -0.144 0.000 0.888 334 S HN 1.502 nan 8.310 nan 0.000 0.455 335 G N 0.795 109.458 108.800 -0.228 0.000 2.184 335 G HA2 -0.147 3.813 3.960 0.000 0.000 0.206 335 G HA3 -0.147 3.813 3.960 0.000 0.000 0.206 335 G C 0.205 175.101 174.900 -0.006 0.000 0.995 335 G CA 0.031 45.084 45.100 -0.077 0.000 0.651 335 G HN 0.583 nan 8.290 nan 0.000 0.511 336 R N -1.445 118.972 120.500 -0.138 0.000 2.705 336 R HA 0.666 5.006 4.340 0.000 0.000 0.246 336 R C -0.807 175.390 176.300 -0.171 0.000 1.142 336 R CA -0.746 55.349 56.100 -0.007 0.000 1.114 336 R CB 0.779 31.093 30.300 0.024 0.000 1.256 336 R HN 0.126 nan 8.270 nan 0.000 0.536 337 W N 0.401 121.724 121.300 0.038 0.000 2.529 337 W HA 0.377 5.037 4.660 0.000 0.000 0.321 337 W C -0.574 175.932 176.519 -0.023 0.000 1.047 337 W CA -0.366 56.988 57.345 0.015 0.000 1.216 337 W CB 1.183 30.655 29.460 0.019 0.000 1.357 337 W HN 0.418 nan 8.180 nan 0.000 0.489 338 N N 2.351 121.133 118.700 0.136 0.000 2.354 338 N HA 0.593 5.333 4.740 0.000 0.000 0.287 338 N C -1.617 173.931 175.510 0.063 0.000 1.016 338 N CA -0.699 52.387 53.050 0.060 0.000 0.871 338 N CB 1.284 39.766 38.487 -0.009 0.000 1.299 338 N HN 0.166 nan 8.380 nan 0.000 0.482 339 c N 2.557 121.177 118.600 0.035 0.000 2.316 339 c HA 0.414 4.984 4.570 0.000 0.000 0.324 339 c C 0.052 174.136 174.090 -0.010 0.000 1.226 339 c CA -1.040 55.297 56.329 0.013 0.000 1.450 339 c CB -0.947 41.562 42.510 -0.002 0.000 2.123 339 c HN 0.614 nan 8.230 nan 0.000 0.454 340 L N 2.803 124.020 121.223 -0.010 0.000 2.453 340 L HA 0.091 4.431 4.340 0.000 0.000 0.272 340 L C 1.494 178.342 176.870 -0.037 0.000 1.182 340 L CA 0.635 55.462 54.840 -0.022 0.000 0.858 340 L CB 0.778 42.827 42.059 -0.017 0.000 1.120 340 L HN 0.673 nan 8.230 nan 0.000 0.474 341 V N 3.148 123.036 119.914 -0.043 0.000 2.490 341 V HA -0.265 3.855 4.120 0.000 0.000 0.250 341 V C 2.098 178.155 176.094 -0.062 0.000 1.061 341 V CA 1.815 64.083 62.300 -0.052 0.000 1.064 341 V CB -1.074 30.720 31.823 -0.049 0.000 0.670 341 V HN 0.999 nan 8.190 nan 0.000 0.461 342 A N -0.270 122.515 122.820 -0.059 0.000 1.968 342 A HA -0.080 4.240 4.320 0.000 0.000 0.217 342 A C 2.178 179.694 177.584 -0.113 0.000 1.169 342 A CA 0.757 52.750 52.037 -0.073 0.000 0.638 342 A CB -0.383 18.586 19.000 -0.052 0.000 0.812 342 A HN 0.434 nan 8.150 nan 0.000 0.446 343 R N 0.381 120.826 120.500 -0.090 0.000 2.391 343 R HA 0.063 4.403 4.340 0.000 0.000 0.225 343 R C -0.450 175.756 176.300 -0.157 0.000 1.079 343 R CA 0.157 56.195 56.100 -0.102 0.000 1.147 343 R CB -0.151 30.144 30.300 -0.008 0.000 1.103 343 R HN 0.622 nan 8.270 nan 0.000 0.499 344 Q N 0.159 119.840 119.800 -0.199 0.000 2.340 344 Q HA 0.181 4.521 4.340 0.000 0.000 0.259 344 Q C -0.995 174.848 176.000 -0.261 0.000 0.964 344 Q CA -0.355 55.352 55.803 -0.160 0.000 0.900 344 Q CB 1.528 30.214 28.738 -0.086 0.000 1.228 344 Q HN 0.264 nan 8.270 nan 0.000 0.449 345 H N 1.199 120.227 119.070 -0.070 0.000 2.472 345 H HA 0.483 5.039 4.556 0.000 0.000 0.335 345 H C -0.558 174.687 175.328 -0.137 0.000 1.136 345 H CA -0.414 55.568 56.048 -0.110 0.000 1.264 345 H CB 1.223 30.839 29.762 -0.244 0.000 1.486 345 H HN 0.446 nan 8.280 nan 0.000 0.517 346 I N 1.548 122.113 120.570 -0.007 0.000 2.418 346 I HA 0.185 4.355 4.170 0.000 0.000 0.287 346 I C -0.388 175.649 176.117 -0.132 0.000 1.008 346 I CA -0.356 60.853 61.300 -0.151 0.000 1.104 346 I CB 1.645 39.540 38.000 -0.176 0.000 1.264 346 I HN 0.556 nan 8.210 nan 0.000 0.438 347 E N 8.183 128.265 120.200 -0.196 0.000 2.145 347 E HA 0.642 4.993 4.350 0.000 0.000 0.270 347 E C -1.032 175.465 176.600 -0.171 0.000 0.906 347 E CA -0.670 55.661 56.400 -0.115 0.000 0.761 347 E CB 1.295 30.956 29.700 -0.065 0.000 1.116 347 E HN 0.615 nan 8.360 nan 0.000 0.408 348 M N 1.402 120.951 119.600 -0.085 0.000 2.704 348 M HA 0.641 5.121 4.480 0.000 0.000 0.284 348 M C -1.030 175.280 176.300 0.017 0.000 1.275 348 M CA -0.930 54.354 55.300 -0.026 0.000 0.811 348 M CB 2.300 34.932 32.600 0.054 0.000 1.741 348 M HN 0.219 nan 8.290 nan 0.000 0.458 349 S N -0.623 115.101 115.700 0.040 0.000 2.572 349 S HA 0.485 4.955 4.470 0.000 0.000 0.274 349 S C 0.073 174.692 174.600 0.031 0.000 1.150 349 S CA 0.078 58.289 58.200 0.019 0.000 0.944 349 S CB 1.717 64.909 63.200 -0.013 0.000 1.071 349 S HN 1.016 nan 8.310 nan 0.000 0.479 350 T N 0.488 115.057 114.554 0.024 0.000 3.040 350 T HA 0.031 4.381 4.350 0.000 0.000 0.252 350 T C 1.656 176.366 174.700 0.016 0.000 1.064 350 T CA 1.205 63.320 62.100 0.024 0.000 1.110 350 T CB -0.673 68.208 68.868 0.022 0.000 0.921 350 T HN 0.695 nan 8.240 nan 0.000 0.480 351 T N -1.351 113.219 114.554 0.027 0.000 3.014 351 T HA 0.527 4.877 4.350 0.000 0.000 0.263 351 T C 1.292 175.981 174.700 -0.018 0.000 1.078 351 T CA 0.555 62.687 62.100 0.054 0.000 1.135 351 T CB -0.117 68.810 68.868 0.098 0.000 0.895 351 T HN 0.688 nan 8.240 nan 0.000 0.480 352 G N 0.200 108.895 108.800 -0.176 0.000 2.696 352 G HA2 0.467 4.427 3.960 0.000 0.000 0.151 352 G HA3 0.467 4.427 3.960 0.000 0.000 0.151 352 G C -1.507 173.219 174.900 -0.291 0.000 1.197 352 G CA -0.570 44.230 45.100 -0.500 0.000 1.053 352 G HN 0.506 nan 8.290 nan 0.000 0.546 353 W N -0.269 120.782 121.300 -0.415 0.000 2.116 353 W HA 0.739 5.399 4.660 0.000 0.000 0.374 353 W C -0.190 176.282 176.519 -0.079 0.000 1.445 353 W CA -1.189 56.032 57.345 -0.208 0.000 1.582 353 W CB 0.683 29.983 29.460 -0.266 0.000 1.263 353 W HN 0.433 nan 8.180 nan 0.000 0.683 354 V N 3.187 123.184 119.914 0.139 0.000 2.347 354 V HA 0.718 4.839 4.120 0.000 0.000 0.280 354 V C 0.410 176.576 176.094 0.121 0.000 1.021 354 V CA 0.518 62.849 62.300 0.051 0.000 0.847 354 V CB 0.134 31.985 31.823 0.047 0.000 0.990 354 V HN 1.615 nan 8.190 nan 0.000 0.444 355 G N 6.554 115.370 108.800 0.026 0.000 2.728 355 G HA2 -0.197 3.763 3.960 0.000 0.000 0.294 355 G HA3 -0.197 3.763 3.960 0.000 0.000 0.294 355 G C 0.265 175.240 174.900 0.125 0.000 1.342 355 G CA 0.220 45.364 45.100 0.072 0.000 0.866 355 G HN 0.818 nan 8.290 nan 0.000 0.534 356 R N -1.049 119.510 120.500 0.099 0.000 2.062 356 R HA 0.203 4.543 4.340 0.000 0.000 0.229 356 R C 1.889 178.044 176.300 -0.242 0.000 1.128 356 R CA 2.140 58.213 56.100 -0.045 0.000 0.960 356 R CB -0.072 30.186 30.300 -0.070 0.000 0.855 356 R HN 0.467 nan 8.270 nan 0.000 0.432 357 F N -1.029 119.071 119.950 0.251 0.000 2.876 357 F HA 0.265 4.792 4.527 0.000 0.000 0.344 357 F C 0.171 176.010 175.800 0.064 0.000 1.029 357 F CA -0.591 57.501 58.000 0.152 0.000 1.154 357 F CB 0.771 39.865 39.000 0.156 0.000 1.040 357 F HN -0.139 nan 8.300 nan 0.000 0.576 358 R N -0.990 119.658 120.500 0.246 0.000 2.712 358 R HA 0.497 4.837 4.340 0.000 0.000 0.272 358 R C -3.363 173.009 176.300 0.120 0.000 1.032 358 R CA -1.917 54.259 56.100 0.127 0.000 0.874 358 R CB 0.295 30.633 30.300 0.062 0.000 1.256 358 R HN -0.360 nan 8.270 nan 0.000 0.468 359 P HA -0.029 nan 4.420 nan 0.000 0.267 359 P C -0.459 176.875 177.300 0.057 0.000 1.201 359 P CA -0.056 63.072 63.100 0.047 0.000 0.775 359 P CB 0.748 32.447 31.700 -0.000 0.000 0.854 360 S N 1.296 117.033 115.700 0.063 0.000 2.592 360 S HA 0.141 4.611 4.470 0.000 0.000 0.271 360 S C -0.005 174.620 174.600 0.042 0.000 1.326 360 S CA -0.689 57.566 58.200 0.090 0.000 1.024 360 S CB 0.051 63.325 63.200 0.124 0.000 0.921 360 S HN 0.431 nan 8.310 nan 0.000 0.527 361 E N 4.072 124.305 120.200 0.055 0.000 2.331 361 E HA 0.385 4.735 4.350 0.000 0.000 0.272 361 E C -2.812 173.735 176.600 -0.087 0.000 1.036 361 E CA -2.145 54.230 56.400 -0.042 0.000 0.864 361 E CB 0.392 30.066 29.700 -0.045 0.000 1.035 361 E HN 0.283 nan 8.360 nan 0.000 0.408 362 P HA 0.296 nan 4.420 nan 0.000 0.284 362 P C -0.821 176.356 177.300 -0.205 0.000 1.258 362 P CA -0.419 62.574 63.100 -0.179 0.000 0.824 362 P CB 0.798 32.142 31.700 -0.592 0.000 1.038 363 H N 1.900 121.048 119.070 0.131 0.000 2.708 363 H HA 0.308 4.864 4.556 0.000 0.000 0.320 363 H C -0.491 175.002 175.328 0.274 0.000 0.991 363 H CA -0.306 55.893 56.048 0.252 0.000 1.243 363 H CB 0.396 30.303 29.762 0.242 0.000 1.446 363 H HN 0.299 nan 8.280 nan 0.000 0.502 364 F N 2.082 122.223 119.950 0.318 0.000 2.396 364 F HA 0.072 4.599 4.527 0.000 0.000 0.343 364 F C 1.358 177.338 175.800 0.300 0.000 1.104 364 F CA -0.540 57.646 58.000 0.309 0.000 1.161 364 F CB 1.015 40.142 39.000 0.212 0.000 1.146 364 F HN 0.352 nan 8.300 nan 0.000 0.522 365 T N 1.622 116.440 114.554 0.441 0.000 2.926 365 T HA 0.053 4.403 4.350 0.000 0.000 0.307 365 T C 1.284 176.172 174.700 0.313 0.000 1.059 365 T CA -0.781 61.532 62.100 0.355 0.000 1.122 365 T CB 0.752 69.808 68.868 0.314 0.000 0.972 365 T HN 0.589 nan 8.240 nan 0.000 0.545 366 L N 1.767 123.136 121.223 0.243 0.000 2.123 366 L HA -0.229 4.111 4.340 0.000 0.000 0.217 366 L C 2.242 179.226 176.870 0.190 0.000 1.081 366 L CA 2.413 57.373 54.840 0.200 0.000 0.772 366 L CB -0.827 41.326 42.059 0.156 0.000 0.890 366 L HN 0.947 nan 8.230 nan 0.000 0.437 367 D N -1.721 118.791 120.400 0.188 0.000 2.269 367 D HA -0.000 4.640 4.640 0.000 0.000 0.208 367 D C 1.756 178.169 176.300 0.189 0.000 0.963 367 D CA 0.963 55.063 54.000 0.166 0.000 0.864 367 D CB -0.595 40.292 40.800 0.144 0.000 0.936 367 D HN 0.428 nan 8.370 nan 0.000 0.505 368 G N 0.508 109.466 108.800 0.262 0.000 2.159 368 G HA2 -0.320 3.641 3.960 0.000 0.000 0.256 368 G HA3 -0.320 3.641 3.960 0.000 0.000 0.256 368 G C 0.859 175.978 174.900 0.366 0.000 0.977 368 G CA 0.360 45.652 45.100 0.319 0.000 0.652 368 G HN 0.403 nan 8.290 nan 0.000 0.531 369 N N 0.137 118.998 118.700 0.270 0.000 2.336 369 N HA 0.193 4.933 4.740 0.000 0.000 0.189 369 N C 0.285 175.870 175.510 0.125 0.000 1.113 369 N CA 0.980 54.147 53.050 0.196 0.000 0.858 369 N CB 0.570 39.132 38.487 0.125 0.000 0.970 369 N HN 0.401 nan 8.380 nan 0.000 0.471 370 S N 0.039 115.815 115.700 0.127 0.000 2.556 370 S HA 0.654 5.125 4.470 0.000 0.000 0.271 370 S C -1.252 173.240 174.600 -0.181 0.000 1.135 370 S CA -0.815 57.262 58.200 -0.204 0.000 0.858 370 S CB 1.651 64.659 63.200 -0.320 0.000 1.114 370 S HN 0.233 nan 8.310 nan 0.000 0.468 371 F N -0.652 118.951 119.950 -0.579 0.000 2.645 371 F HA 0.786 5.313 4.527 0.000 0.000 0.310 371 F C -1.941 173.557 175.800 -0.503 0.000 1.102 371 F CA -1.362 56.258 58.000 -0.633 0.000 0.952 371 F CB 0.645 38.817 39.000 -1.380 0.000 1.326 371 F HN 0.480 nan 8.300 nan 0.000 0.456 372 Y N 1.207 121.580 120.300 0.122 0.000 2.360 372 Y HA 0.653 5.203 4.550 0.000 0.000 0.337 372 Y C -0.172 175.885 175.900 0.263 0.000 1.039 372 Y CA -0.754 57.435 58.100 0.148 0.000 1.109 372 Y CB 2.048 40.589 38.460 0.136 0.000 1.201 372 Y HN 0.707 nan 8.280 nan 0.000 0.458 373 K N 3.587 124.217 120.400 0.383 0.000 2.565 373 K HA 0.454 4.775 4.320 0.000 0.000 0.251 373 K C -1.677 175.082 176.600 0.266 0.000 0.956 373 K CA -0.511 55.971 56.287 0.326 0.000 0.809 373 K CB 1.268 33.950 32.500 0.302 0.000 1.267 373 K HN 0.723 nan 8.250 nan 0.000 0.438 374 I N 6.621 127.320 120.570 0.216 0.000 2.517 374 I HA 0.162 4.332 4.170 0.000 0.000 0.285 374 I C 0.366 176.582 176.117 0.165 0.000 1.106 374 I CA 0.034 61.437 61.300 0.172 0.000 1.402 374 I CB 0.140 38.223 38.000 0.138 0.000 1.399 374 I HN 0.525 nan 8.210 nan 0.000 0.535 375 I N 3.322 124.013 120.570 0.201 0.000 3.074 375 I HA 0.562 4.732 4.170 0.000 0.000 0.310 375 I C -0.095 176.113 176.117 0.151 0.000 1.153 375 I CA -0.688 60.720 61.300 0.179 0.000 0.993 375 I CB 2.378 40.515 38.000 0.227 0.000 1.237 375 I HN 0.510 nan 8.210 nan 0.000 0.443 376 S N 2.570 118.297 115.700 0.045 0.000 2.548 376 S HA 0.352 4.822 4.470 0.000 0.000 0.277 376 S C -0.132 174.452 174.600 -0.026 0.000 1.315 376 S CA -0.559 57.598 58.200 -0.071 0.000 1.050 376 S CB 0.455 63.552 63.200 -0.171 0.000 0.918 376 S HN 0.871 nan 8.310 nan 0.000 0.497 377 N N 1.231 119.786 118.700 -0.241 0.000 2.443 377 N HA 0.147 4.888 4.740 0.000 0.000 0.294 377 N C 1.181 176.590 175.510 -0.168 0.000 1.289 377 N CA -0.326 52.478 53.050 -0.410 0.000 0.966 377 N CB 0.004 37.858 38.487 -1.055 0.000 1.122 377 N HN 0.699 nan 8.380 nan 0.000 0.569 378 E N -0.506 119.609 120.200 -0.143 0.000 2.110 378 E HA -0.228 4.122 4.350 0.000 0.000 0.193 378 E C 0.352 176.901 176.600 -0.085 0.000 0.988 378 E CA 1.485 57.844 56.400 -0.068 0.000 0.804 378 E CB -0.536 29.141 29.700 -0.038 0.000 0.745 378 E HN 0.799 nan 8.360 nan 0.000 0.458 379 E N 0.077 120.221 120.200 -0.094 0.000 2.444 379 E HA 0.184 4.534 4.350 0.000 0.000 0.191 379 E C 0.576 177.108 176.600 -0.113 0.000 1.041 379 E CA 0.271 56.645 56.400 -0.044 0.000 0.883 379 E CB 0.417 30.143 29.700 0.043 0.000 1.024 379 E HN 0.532 nan 8.360 nan 0.000 0.470 380 G N 0.964 109.640 108.800 -0.206 0.000 2.241 380 G HA2 -0.299 3.661 3.960 0.000 0.000 0.244 380 G HA3 -0.299 3.661 3.960 0.000 0.000 0.244 380 G C -0.045 174.571 174.900 -0.475 0.000 0.998 380 G CA -0.094 44.780 45.100 -0.376 0.000 0.621 380 G HN 0.269 nan 8.290 nan 0.000 0.519 381 Y N 1.513 121.643 120.300 -0.282 0.000 2.346 381 Y HA 0.551 5.101 4.550 0.000 0.000 0.330 381 Y C 1.443 177.102 175.900 -0.402 0.000 1.178 381 Y CA -0.262 57.638 58.100 -0.333 0.000 1.331 381 Y CB 0.593 38.866 38.460 -0.312 0.000 1.253 381 Y HN 0.093 nan 8.280 nan 0.000 0.529 382 R N 3.868 124.159 120.500 -0.348 0.000 2.202 382 R HA 0.328 4.668 4.340 0.000 0.000 0.334 382 R C -0.776 175.195 176.300 -0.548 0.000 1.036 382 R CA -0.392 55.517 56.100 -0.318 0.000 0.878 382 R CB 0.411 30.598 30.300 -0.189 0.000 1.067 382 R HN 0.683 nan 8.270 nan 0.000 0.457 383 H N 1.608 120.596 119.070 -0.136 0.000 2.941 383 H HA 0.367 4.923 4.556 0.000 0.000 0.344 383 H C 0.004 175.363 175.328 0.051 0.000 1.235 383 H CA -0.976 54.987 56.048 -0.143 0.000 1.149 383 H CB 1.620 31.187 29.762 -0.326 0.000 1.885 383 H HN 0.311 nan 8.280 nan 0.000 0.558 384 I N 1.094 121.744 120.570 0.133 0.000 2.496 384 I HA 0.040 4.210 4.170 0.000 0.000 0.285 384 I C 0.298 176.482 176.117 0.112 0.000 1.080 384 I CA 0.141 61.496 61.300 0.093 0.000 1.404 384 I CB 0.395 38.360 38.000 -0.058 0.000 1.403 384 I HN 0.122 nan 8.210 nan 0.000 0.539 385 c N 6.654 125.274 118.600 0.033 0.000 2.379 385 c HA 0.300 4.870 4.570 0.000 0.000 0.323 385 c C -0.134 173.787 174.090 -0.281 0.000 1.262 385 c CA -0.662 55.485 56.329 -0.303 0.000 1.581 385 c CB 0.598 42.682 42.510 -0.710 0.000 2.221 385 c HN 0.706 nan 8.230 nan 0.000 0.497 386 Y N 5.103 125.098 120.300 -0.510 0.000 2.600 386 Y HA 0.456 5.006 4.550 0.000 0.000 0.351 386 Y C -0.566 174.892 175.900 -0.736 0.000 1.042 386 Y CA -0.331 57.383 58.100 -0.643 0.000 1.333 386 Y CB -0.202 37.981 38.460 -0.461 0.000 1.172 386 Y HN 0.649 nan 8.280 nan 0.000 0.517 387 F N 4.662 123.899 119.950 -1.189 0.000 2.444 387 F HA 0.167 4.694 4.527 0.000 0.000 0.360 387 F C 0.432 175.445 175.800 -1.312 0.000 1.106 387 F CA -0.029 57.208 58.000 -1.272 0.000 1.170 387 F CB 0.656 38.583 39.000 -1.788 0.000 1.113 387 F HN 0.393 nan 8.300 nan 0.000 0.521 388 Q N 4.896 124.289 119.800 -0.678 0.000 2.349 388 Q HA 0.236 4.576 4.340 0.000 0.000 0.254 388 Q C 1.280 177.184 176.000 -0.160 0.000 0.980 388 Q CA 0.053 55.581 55.803 -0.459 0.000 0.924 388 Q CB 0.922 29.494 28.738 -0.277 0.000 1.209 388 Q HN 0.805 nan 8.270 nan 0.000 0.445 389 I N 1.534 122.044 120.570 -0.100 0.000 2.185 389 I HA -0.288 3.882 4.170 0.000 0.000 0.246 389 I C 0.588 176.761 176.117 0.093 0.000 1.088 389 I CA 1.546 62.923 61.300 0.129 0.000 1.347 389 I CB 0.252 38.359 38.000 0.178 0.000 1.041 389 I HN 0.494 nan 8.210 nan 0.000 0.415 394 c N 1.048 119.321 118.600 -0.546 0.000 2.534 394 c HA 0.942 5.513 4.570 0.000 0.000 0.385 394 c C 0.673 174.398 174.090 -0.608 0.000 1.264 394 c CA -0.170 55.684 56.329 -0.792 0.000 2.342 394 c CB 0.147 41.668 42.510 -1.648 0.000 2.564 394 c HN 0.568 nan 8.230 nan 0.000 0.603 395 T N -0.035 114.248 114.554 -0.451 0.000 2.855 395 T HA 0.604 4.954 4.350 0.000 0.000 0.281 395 T C -0.635 173.828 174.700 -0.395 0.000 1.007 395 T CA -0.421 61.475 62.100 -0.339 0.000 1.009 395 T CB 0.733 69.528 68.868 -0.122 0.000 0.983 395 T HN 0.544 nan 8.240 nan 0.000 0.455 396 F N 2.016 121.842 119.950 -0.208 0.000 2.529 396 F HA 0.278 4.805 4.527 0.000 0.000 0.365 396 F C 1.661 177.298 175.800 -0.270 0.000 1.102 396 F CA -0.999 56.862 58.000 -0.232 0.000 1.271 396 F CB 0.458 39.325 39.000 -0.222 0.000 1.120 396 F HN 0.666 nan 8.300 nan 0.000 0.579 397 I N -0.968 119.509 120.570 -0.156 0.000 3.956 397 I HA 0.250 4.421 4.170 0.000 0.000 0.333 397 I C 0.039 175.995 176.117 -0.268 0.000 1.302 397 I CA 0.092 61.140 61.300 -0.419 0.000 1.122 397 I CB -0.171 37.353 38.000 -0.793 0.000 1.013 397 I HN 0.484 nan 8.210 nan 0.000 0.405 398 T N -0.757 113.662 114.554 -0.226 0.000 2.883 398 T HA 0.619 4.969 4.350 0.000 0.000 0.301 398 T C -0.827 173.366 174.700 -0.846 0.000 1.158 398 T CA -0.763 61.123 62.100 -0.356 0.000 1.007 398 T CB 2.777 71.526 68.868 -0.199 0.000 1.186 398 T HN 0.249 nan 8.240 nan 0.000 0.499 399 K N 0.192 119.989 120.400 -1.004 0.000 2.575 399 K HA 0.718 5.038 4.320 0.000 0.000 0.279 399 K C -0.573 175.502 176.600 -0.875 0.000 0.969 399 K CA 0.104 55.740 56.287 -1.085 0.000 0.868 399 K CB 1.652 33.839 32.500 -0.522 0.000 1.457 399 K HN 1.671 nan 8.250 nan 0.000 0.426 400 G N 0.131 108.493 108.800 -0.730 0.000 2.353 400 G HA2 -0.013 3.947 3.960 0.000 0.000 0.424 400 G HA3 -0.013 3.947 3.960 0.000 0.000 0.424 400 G C -0.674 173.741 174.900 -0.808 0.000 1.320 400 G CA -0.096 44.672 45.100 -0.554 0.000 0.995 400 G HN 0.892 nan 8.290 nan 0.000 0.580 401 T N -0.574 113.622 114.554 -0.597 0.000 3.843 401 T HA 0.545 4.896 4.350 0.000 0.000 0.227 401 T C 0.262 174.763 174.700 -0.332 0.000 1.043 401 T CA 0.682 62.222 62.100 -0.934 0.000 1.012 401 T CB -0.975 67.611 68.868 -0.470 0.000 1.279 401 T HN 1.562 nan 8.240 nan 0.000 0.730 402 W N -0.491 120.604 121.300 -0.340 0.000 2.895 402 W HA 0.674 5.334 4.660 0.000 0.000 0.377 402 W C -1.558 174.952 176.519 -0.014 0.000 1.191 402 W CA -1.006 56.315 57.345 -0.041 0.000 1.179 402 W CB 0.673 30.116 29.460 -0.029 0.000 1.469 402 W HN 0.159 nan 8.180 nan 0.000 0.577 403 E N 0.691 121.074 120.200 0.305 0.000 2.343 403 E HA 0.459 4.809 4.350 0.000 0.000 0.270 403 E C -1.219 175.533 176.600 0.253 0.000 0.895 403 E CA -1.130 55.251 56.400 -0.031 0.000 0.767 403 E CB 3.397 33.116 29.700 0.031 0.000 1.248 403 E HN 0.172 nan 8.360 nan 0.000 0.440 404 V N 3.957 123.898 119.914 0.045 0.000 2.461 404 V HA 0.035 4.155 4.120 0.000 0.000 0.275 404 V C 1.231 177.462 176.094 0.229 0.000 1.047 404 V CA -0.128 62.320 62.300 0.248 0.000 0.955 404 V CB 0.688 32.564 31.823 0.088 0.000 0.988 404 V HN 0.677 nan 8.190 nan 0.000 0.471 405 I N 3.202 123.943 120.570 0.285 0.000 2.206 405 I HA 0.203 4.373 4.170 0.000 0.000 0.239 405 I C 1.141 177.413 176.117 0.258 0.000 1.078 405 I CA 1.326 62.785 61.300 0.265 0.000 1.367 405 I CB -0.911 37.195 38.000 0.176 0.000 1.078 405 I HN 0.735 nan 8.210 nan 0.000 0.413 406 G N 0.699 109.652 108.800 0.255 0.000 2.732 406 G HA2 0.560 4.520 3.960 0.000 0.000 0.296 406 G HA3 0.560 4.520 3.960 0.000 0.000 0.296 406 G C -1.091 173.947 174.900 0.230 0.000 1.448 406 G CA -0.550 44.696 45.100 0.244 0.000 0.911 406 G HN 0.009 nan 8.290 nan 0.000 0.528 407 I N 2.226 122.899 120.570 0.171 0.000 2.379 407 I HA 0.154 4.324 4.170 0.000 0.000 0.290 407 I C 0.905 176.965 176.117 -0.096 0.000 1.063 407 I CA -0.460 60.843 61.300 0.006 0.000 1.351 407 I CB 1.299 39.197 38.000 -0.171 0.000 1.410 407 I HN 0.512 nan 8.210 nan 0.000 0.505 408 E N 5.143 125.352 120.200 0.015 0.000 2.057 408 E HA 0.236 4.586 4.350 0.000 0.000 0.191 408 E C 0.415 176.961 176.600 -0.089 0.000 0.959 408 E CA 0.552 56.999 56.400 0.078 0.000 0.828 408 E CB 0.108 29.971 29.700 0.272 0.000 0.800 408 E HN 0.673 nan 8.360 nan 0.000 0.460 409 A N 0.591 123.259 122.820 -0.253 0.000 2.454 409 A HA 0.641 4.961 4.320 0.000 0.000 0.302 409 A C -1.536 175.935 177.584 -0.190 0.000 1.079 409 A CA -0.565 51.228 52.037 -0.407 0.000 0.731 409 A CB 1.465 19.742 19.000 -1.204 0.000 1.299 409 A HN 0.100 nan 8.150 nan 0.000 0.413 410 L N 1.572 122.734 121.223 -0.103 0.000 2.406 410 L HA 0.746 5.086 4.340 0.000 0.000 0.272 410 L C 0.105 176.998 176.870 0.039 0.000 0.980 410 L CA 0.304 55.132 54.840 -0.019 0.000 0.831 410 L CB 1.973 44.060 42.059 0.046 0.000 1.253 410 L HN 1.000 nan 8.230 nan 0.000 0.406 411 T N -0.207 114.382 114.554 0.058 0.000 2.940 411 T HA 0.420 4.770 4.350 0.000 0.000 0.288 411 T C 1.042 175.789 174.700 0.079 0.000 1.045 411 T CA 0.001 62.152 62.100 0.086 0.000 1.018 411 T CB 1.348 70.287 68.868 0.118 0.000 1.151 411 T HN 0.625 nan 8.240 nan 0.000 0.529 412 S N -0.077 115.672 115.700 0.082 0.000 2.447 412 S HA -0.108 4.362 4.470 0.000 0.000 0.233 412 S C 0.922 175.523 174.600 0.001 0.000 1.006 412 S CA 1.204 59.441 58.200 0.063 0.000 0.957 412 S CB -0.669 62.570 63.200 0.066 0.000 0.773 412 S HN 0.741 nan 8.310 nan 0.000 0.507 413 D N 0.086 120.491 120.400 0.007 0.000 2.154 413 D HA 0.240 4.880 4.640 0.000 0.000 0.211 413 D C -0.045 176.071 176.300 -0.308 0.000 0.977 413 D CA 1.061 55.005 54.000 -0.093 0.000 0.869 413 D CB 0.048 40.913 40.800 0.109 0.000 1.022 413 D HN 0.453 nan 8.370 nan 0.000 0.461 414 Y N -0.904 119.341 120.300 -0.093 0.000 2.633 414 Y HA 0.497 5.047 4.550 0.000 0.000 0.339 414 Y C -0.594 175.138 175.900 -0.280 0.000 1.045 414 Y CA -1.203 56.756 58.100 -0.235 0.000 1.098 414 Y CB 1.763 39.964 38.460 -0.430 0.000 1.296 414 Y HN -0.193 nan 8.280 nan 0.000 0.494 415 L N 2.405 123.510 121.223 -0.196 0.000 2.376 415 L HA 0.508 4.848 4.340 0.000 0.000 0.275 415 L C -2.028 174.713 176.870 -0.216 0.000 0.987 415 L CA -0.662 54.043 54.840 -0.225 0.000 0.828 415 L CB 0.852 42.696 42.059 -0.359 0.000 1.249 415 L HN 0.691 nan 8.230 nan 0.000 0.409 416 Y N 5.449 125.704 120.300 -0.076 0.000 2.361 416 Y HA 0.583 5.134 4.550 0.000 0.000 0.332 416 Y C -0.155 175.803 175.900 0.097 0.000 1.101 416 Y CA -0.250 57.828 58.100 -0.038 0.000 1.137 416 Y CB 1.568 39.942 38.460 -0.145 0.000 1.207 416 Y HN 0.590 nan 8.280 nan 0.000 0.463 417 Y N -0.528 119.858 120.300 0.145 0.000 2.656 417 Y HA 0.766 5.316 4.550 0.000 0.000 0.334 417 Y C -2.068 173.929 175.900 0.162 0.000 1.179 417 Y CA -1.899 56.278 58.100 0.128 0.000 1.050 417 Y CB 0.990 39.510 38.460 0.099 0.000 1.308 417 Y HN 0.430 nan 8.280 nan 0.000 0.456 418 I N 2.921 123.661 120.570 0.285 0.000 2.441 418 I HA 0.715 4.885 4.170 0.000 0.000 0.295 418 I C -0.505 175.820 176.117 0.347 0.000 0.994 418 I CA -0.541 60.862 61.300 0.171 0.000 1.144 418 I CB 2.112 40.166 38.000 0.089 0.000 1.314 418 I HN 0.858 nan 8.210 nan 0.000 0.445 419 S N 2.810 118.687 115.700 0.296 0.000 2.596 419 S HA 0.363 4.833 4.470 0.000 0.000 0.270 419 S C -0.707 174.007 174.600 0.190 0.000 1.155 419 S CA -0.943 57.463 58.200 0.344 0.000 0.827 419 S CB 1.595 65.128 63.200 0.555 0.000 1.130 419 S HN 0.648 nan 8.310 nan 0.000 0.467 420 N N -0.105 118.703 118.700 0.180 0.000 2.451 420 N HA 0.159 4.899 4.740 0.000 0.000 0.264 420 N C 0.485 176.002 175.510 0.011 0.000 1.167 420 N CA -0.323 52.771 53.050 0.072 0.000 0.898 420 N CB 0.339 38.858 38.487 0.054 0.000 1.176 420 N HN 0.800 nan 8.380 nan 0.000 0.507 421 E N -0.079 120.004 120.200 -0.194 0.000 2.072 421 E HA -0.141 4.209 4.350 0.000 0.000 0.190 421 E C -0.402 176.068 176.600 -0.217 0.000 0.982 421 E CA 0.039 56.075 56.400 -0.606 0.000 0.803 421 E CB -0.066 28.686 29.700 -1.580 0.000 0.755 421 E HN 0.518 nan 8.360 nan 0.000 0.453 422 Y N 2.207 122.427 120.300 -0.132 0.000 2.852 422 Y HA -0.194 4.356 4.550 0.000 0.000 0.343 422 Y C 0.334 176.192 175.900 -0.071 0.000 1.280 422 Y CA 0.944 58.997 58.100 -0.078 0.000 1.604 422 Y CB 0.073 38.490 38.460 -0.071 0.000 1.216 422 Y HN 0.087 nan 8.280 nan 0.000 0.541 423 K N 3.310 123.407 120.400 -0.505 0.000 3.349 423 K HA -0.263 4.057 4.320 0.000 0.000 0.310 423 K C 0.803 177.325 176.600 -0.129 0.000 1.267 423 K CA 0.773 56.844 56.287 -0.360 0.000 0.920 423 K CB -1.931 30.329 32.500 -0.400 0.000 1.240 423 K HN 1.255 nan 8.250 nan 0.000 0.453 424 G N 0.868 109.605 108.800 -0.105 0.000 2.221 424 G HA2 -0.321 3.639 3.960 0.000 0.000 0.265 424 G HA3 -0.321 3.639 3.960 0.000 0.000 0.265 424 G C -0.027 174.858 174.900 -0.025 0.000 1.041 424 G CA 0.734 45.822 45.100 -0.020 0.000 0.807 424 G HN 0.303 nan 8.290 nan 0.000 0.502 425 M N 0.044 119.555 119.600 -0.150 0.000 2.055 425 M HA 0.277 4.757 4.480 0.000 0.000 0.347 425 M C -1.270 174.792 176.300 -0.396 0.000 1.123 425 M CA -2.096 52.940 55.300 -0.440 0.000 1.035 425 M CB 1.790 34.187 32.600 -0.339 0.000 1.484 425 M HN -0.124 nan 8.290 nan 0.000 0.428 426 P HA -0.068 nan 4.420 nan 0.000 0.220 426 P C 1.180 178.350 177.300 -0.217 0.000 1.148 426 P CA 0.945 63.891 63.100 -0.257 0.000 0.803 426 P CB 0.187 31.739 31.700 -0.246 0.000 0.782 427 G N -1.003 107.603 108.800 -0.323 0.000 3.088 427 G HA2 0.248 4.208 3.960 0.000 0.000 0.212 427 G HA3 0.248 4.208 3.960 0.000 0.000 0.212 427 G C 0.611 175.521 174.900 0.018 0.000 1.173 427 G CA 0.068 45.097 45.100 -0.119 0.000 0.779 427 G HN 0.381 nan 8.290 nan 0.000 0.540 428 G N -0.076 108.681 108.800 -0.071 0.000 2.420 428 G HA2 0.616 4.576 3.960 0.000 0.000 0.331 428 G HA3 0.616 4.576 3.960 0.000 0.000 0.331 428 G C -0.782 174.016 174.900 -0.170 0.000 1.168 428 G CA -0.762 44.319 45.100 -0.031 0.000 0.936 428 G HN 0.056 nan 8.290 nan 0.000 0.479 429 R N 1.105 121.424 120.500 -0.303 0.000 2.513 429 R HA 0.401 4.741 4.340 0.000 0.000 0.301 429 R C -1.050 175.153 176.300 -0.160 0.000 0.968 429 R CA -0.746 55.143 56.100 -0.352 0.000 0.872 429 R CB 1.927 31.766 30.300 -0.769 0.000 1.177 429 R HN 0.684 nan 8.270 nan 0.000 0.444 430 N N 0.603 119.205 118.700 -0.163 0.000 2.357 430 N HA 0.419 5.159 4.740 0.000 0.000 0.284 430 N C -1.496 173.754 175.510 -0.433 0.000 1.236 430 N CA -0.801 52.047 53.050 -0.337 0.000 0.774 430 N CB 2.012 40.169 38.487 -0.551 0.000 1.534 430 N HN 0.210 nan 8.380 nan 0.000 0.478 431 L N 2.472 123.341 121.223 -0.590 0.000 2.257 431 L HA 0.484 4.824 4.340 0.000 0.000 0.290 431 L C -1.671 174.801 176.870 -0.663 0.000 1.044 431 L CA -0.223 54.320 54.840 -0.495 0.000 0.810 431 L CB -0.316 41.501 42.059 -0.404 0.000 1.193 431 L HN 0.483 nan 8.230 nan 0.000 0.425 432 Y N 4.178 124.133 120.300 -0.574 0.000 2.387 432 Y HA 0.500 5.050 4.550 0.000 0.000 0.336 432 Y C 0.047 175.646 175.900 -0.501 0.000 1.067 432 Y CA -0.549 57.180 58.100 -0.618 0.000 1.114 432 Y CB 1.493 39.396 38.460 -0.927 0.000 1.208 432 Y HN 0.518 nan 8.280 nan 0.000 0.458 433 K N 4.015 124.314 120.400 -0.168 0.000 2.244 433 K HA 0.652 4.972 4.320 0.000 0.000 0.260 433 K C -1.681 174.904 176.600 -0.025 0.000 0.951 433 K CA -0.556 55.574 56.287 -0.262 0.000 0.826 433 K CB 1.848 34.045 32.500 -0.505 0.000 1.108 433 K HN 0.831 nan 8.250 nan 0.000 0.433 434 I N 2.691 123.295 120.570 0.057 0.000 2.433 434 I HA 0.138 4.308 4.170 0.000 0.000 0.292 434 I C -0.588 175.615 176.117 0.143 0.000 1.001 434 I CA -0.803 60.591 61.300 0.156 0.000 1.119 434 I CB 1.939 40.046 38.000 0.179 0.000 1.289 434 I HN 0.790 nan 8.210 nan 0.000 0.438 435 Q N 5.349 125.212 119.800 0.105 0.000 2.296 435 Q HA 0.133 4.473 4.340 0.000 0.000 0.263 435 Q C 0.284 176.193 176.000 -0.153 0.000 1.026 435 Q CA -0.426 55.248 55.803 -0.214 0.000 0.912 435 Q CB 1.240 29.890 28.738 -0.147 0.000 1.198 435 Q HN 0.723 nan 8.270 nan 0.000 0.407 436 L N 2.833 123.898 121.223 -0.264 0.000 2.362 436 L HA -0.166 4.174 4.340 0.000 0.000 0.219 436 L C 2.143 178.866 176.870 -0.244 0.000 1.134 436 L CA 1.513 56.280 54.840 -0.121 0.000 0.807 436 L CB -0.332 41.658 42.059 -0.115 0.000 0.927 436 L HN 0.700 nan 8.230 nan 0.000 0.447 437 S N -2.561 112.964 115.700 -0.291 0.000 2.388 437 S HA 0.015 4.485 4.470 0.000 0.000 0.223 437 S C 0.721 175.110 174.600 -0.351 0.000 1.034 437 S CA 0.216 58.241 58.200 -0.291 0.000 0.963 437 S CB 0.031 63.099 63.200 -0.221 0.000 0.827 437 S HN 0.339 nan 8.310 nan 0.000 0.481 438 D N -0.386 119.839 120.400 -0.291 0.000 2.542 438 D HA 0.359 4.999 4.640 0.000 0.000 0.252 438 D C -0.417 175.818 176.300 -0.108 0.000 1.222 438 D CA -0.778 53.075 54.000 -0.246 0.000 0.895 438 D CB 0.781 41.502 40.800 -0.133 0.000 1.207 438 D HN -0.014 nan 8.370 nan 0.000 0.558 439 Y N 1.505 121.765 120.300 -0.068 0.000 2.421 439 Y HA -0.068 4.482 4.550 0.000 0.000 0.292 439 Y C 2.329 178.219 175.900 -0.017 0.000 1.136 439 Y CA 0.881 58.953 58.100 -0.046 0.000 1.255 439 Y CB -0.719 37.710 38.460 -0.051 0.000 0.991 439 Y HN 0.380 nan 8.280 nan 0.000 0.552 440 T N -0.387 114.235 114.554 0.113 0.000 2.904 440 T HA -0.096 4.255 4.350 0.000 0.000 0.267 440 T C 0.871 175.611 174.700 0.067 0.000 1.059 440 T CA 0.699 62.842 62.100 0.072 0.000 1.137 440 T CB -0.174 68.714 68.868 0.034 0.000 0.879 440 T HN 0.209 nan 8.240 nan 0.000 0.467 441 K N 3.449 123.886 120.400 0.062 0.000 2.121 441 K HA 0.282 4.602 4.320 0.000 0.000 0.235 441 K C -0.343 176.316 176.600 0.098 0.000 1.200 441 K CA -0.183 56.143 56.287 0.065 0.000 1.115 441 K CB -0.226 32.305 32.500 0.051 0.000 1.474 441 K HN 0.249 nan 8.250 nan 0.000 0.295 442 V N -0.570 119.399 119.914 0.093 0.000 2.472 442 V HA 0.439 4.559 4.120 0.000 0.000 0.290 442 V C -0.056 176.092 176.094 0.089 0.000 1.037 442 V CA -0.631 61.734 62.300 0.109 0.000 0.908 442 V CB 1.528 33.418 31.823 0.112 0.000 0.985 442 V HN 0.348 nan 8.190 nan 0.000 0.454 443 T N 4.054 118.649 114.554 0.068 0.000 2.840 443 T HA 0.313 4.664 4.350 0.000 0.000 0.287 443 T C -0.357 174.319 174.700 -0.041 0.000 0.991 443 T CA -0.273 61.830 62.100 0.006 0.000 0.964 443 T CB 1.116 69.954 68.868 -0.051 0.000 0.954 443 T HN 1.028 nan 8.240 nan 0.000 0.438 444 C N 5.049 124.292 119.300 -0.095 0.000 2.499 444 C HA 0.386 4.846 4.460 0.000 0.000 0.386 444 C C 1.778 176.538 174.990 -0.384 0.000 1.293 444 C CA -0.503 58.272 59.018 -0.404 0.000 1.884 444 C CB -1.720 25.699 27.740 -0.536 0.000 2.509 444 C HN 0.994 nan 8.230 nan 0.000 0.566 445 L N 4.515 125.469 121.223 -0.449 0.000 2.307 445 L HA 0.053 4.393 4.340 0.000 0.000 0.211 445 L C 2.332 178.913 176.870 -0.482 0.000 1.099 445 L CA 1.160 55.780 54.840 -0.367 0.000 0.816 445 L CB -0.318 41.561 42.059 -0.299 0.000 0.952 445 L HN 0.882 nan 8.230 nan 0.000 0.455 446 S N -2.601 112.694 115.700 -0.675 0.000 2.539 446 S HA -0.047 4.423 4.470 0.000 0.000 0.226 446 S C 1.980 176.158 174.600 -0.703 0.000 1.054 446 S CA 0.045 57.713 58.200 -0.887 0.000 0.910 446 S CB -0.449 61.833 63.200 -1.531 0.000 0.818 446 S HN 0.305 nan 8.310 nan 0.000 0.490 447 C N 2.248 121.116 119.300 -0.720 0.000 2.382 447 C HA -0.136 4.324 4.460 0.000 0.000 0.274 447 C C 2.000 176.640 174.990 -0.584 0.000 1.180 447 C CA 1.638 60.133 59.018 -0.872 0.000 1.799 447 C CB -1.132 25.991 27.740 -1.029 0.000 2.094 447 C HN 0.704 nan 8.230 nan 0.000 0.468 448 E N -1.035 118.953 120.200 -0.353 0.000 2.812 448 E HA 0.218 4.568 4.350 0.000 0.000 0.211 448 E C 1.384 177.918 176.600 -0.111 0.000 0.986 448 E CA -0.229 56.068 56.400 -0.172 0.000 1.119 448 E CB 0.210 29.846 29.700 -0.108 0.000 1.046 448 E HN 0.547 nan 8.360 nan 0.000 0.474 449 L N 0.588 121.734 121.223 -0.129 0.000 2.046 449 L HA -0.049 4.291 4.340 0.000 0.000 0.208 449 L C 1.005 177.873 176.870 -0.003 0.000 1.077 449 L CA 0.913 55.720 54.840 -0.055 0.000 0.747 449 L CB 0.020 42.048 42.059 -0.052 0.000 0.896 449 L HN 0.140 nan 8.230 nan 0.000 0.432 450 N N -1.133 117.578 118.700 0.018 0.000 2.629 450 N HA 0.125 4.865 4.740 0.000 0.000 0.277 450 N C -2.240 173.284 175.510 0.022 0.000 1.188 450 N CA -1.005 52.054 53.050 0.016 0.000 0.835 450 N CB 1.714 40.209 38.487 0.012 0.000 1.420 450 N HN -0.225 nan 8.380 nan 0.000 0.542 451 P HA -0.080 nan 4.420 nan 0.000 0.221 451 P C 0.594 177.936 177.300 0.069 0.000 1.150 451 P CA 1.267 64.400 63.100 0.055 0.000 0.800 451 P CB 0.504 32.252 31.700 0.080 0.000 0.787 452 E N 0.422 120.644 120.200 0.037 0.000 2.389 452 E HA -0.018 4.332 4.350 0.000 0.000 0.199 452 E C 2.012 178.612 176.600 0.001 0.000 0.978 452 E CA -0.010 56.407 56.400 0.028 0.000 0.912 452 E CB -0.318 29.394 29.700 0.020 0.000 0.907 452 E HN 0.242 nan 8.360 nan 0.000 0.494 453 R N 0.350 120.838 120.500 -0.020 0.000 2.265 453 R HA 0.222 4.562 4.340 0.000 0.000 0.194 453 R C -0.038 176.215 176.300 -0.079 0.000 0.931 453 R CA 0.266 56.331 56.100 -0.058 0.000 1.032 453 R CB 0.315 30.567 30.300 -0.080 0.000 0.980 453 R HN 0.014 nan 8.270 nan 0.000 0.497 454 c N 1.402 119.969 118.600 -0.054 0.000 2.455 454 c HA 0.412 4.982 4.570 0.000 0.000 0.321 454 c C -0.236 173.843 174.090 -0.019 0.000 1.102 454 c CA -0.576 55.681 56.329 -0.120 0.000 1.413 454 c CB 1.131 43.554 42.510 -0.144 0.000 1.952 454 c HN 0.600 nan 8.230 nan 0.000 0.428 455 Q N 0.548 120.333 119.800 -0.024 0.000 2.127 455 Q HA 0.209 4.550 4.340 0.000 0.000 0.222 455 Q C -0.913 175.135 176.000 0.081 0.000 0.794 455 Q CA 0.112 55.958 55.803 0.071 0.000 1.010 455 Q CB 1.342 30.144 28.738 0.106 0.000 1.170 455 Q HN 0.778 nan 8.270 nan 0.000 0.479 456 Y N 0.362 120.559 120.300 -0.172 0.000 2.402 456 Y HA 0.371 4.921 4.550 0.000 0.000 0.325 456 Y C -1.648 174.089 175.900 -0.272 0.000 1.009 456 Y CA -0.979 57.034 58.100 -0.145 0.000 1.278 456 Y CB 0.835 39.224 38.460 -0.119 0.000 1.105 456 Y HN -0.067 nan 8.280 nan 0.000 0.476 457 Y N 2.741 122.921 120.300 -0.199 0.000 2.393 457 Y HA 0.569 5.119 4.550 0.000 0.000 0.341 457 Y C 0.130 175.948 175.900 -0.137 0.000 0.988 457 Y CA -0.584 57.429 58.100 -0.145 0.000 1.078 457 Y CB 2.156 40.499 38.460 -0.195 0.000 1.203 457 Y HN 0.540 nan 8.280 nan 0.000 0.453 458 S N 1.853 117.619 115.700 0.110 0.000 2.638 458 S HA 0.885 5.355 4.470 0.000 0.000 0.302 458 S C -1.477 173.182 174.600 0.097 0.000 1.096 458 S CA -0.768 57.491 58.200 0.099 0.000 0.953 458 S CB 1.990 65.268 63.200 0.130 0.000 1.107 458 S HN 0.558 nan 8.310 nan 0.000 0.503 459 V N 0.642 120.605 119.914 0.082 0.000 2.888 459 V HA 0.798 4.918 4.120 0.000 0.000 0.309 459 V C -1.081 175.042 176.094 0.047 0.000 1.114 459 V CA -0.263 62.040 62.300 0.005 0.000 0.940 459 V CB 2.240 33.969 31.823 -0.158 0.000 1.021 459 V HN 1.152 nan 8.190 nan 0.000 0.426 460 S N 5.591 121.302 115.700 0.019 0.000 2.605 460 S HA 0.752 5.223 4.470 0.000 0.000 0.308 460 S C -1.106 173.517 174.600 0.039 0.000 1.113 460 S CA -0.371 57.925 58.200 0.160 0.000 1.049 460 S CB 0.655 64.038 63.200 0.305 0.000 1.001 460 S HN 0.496 nan 8.310 nan 0.000 0.480 461 F N 2.536 122.522 119.950 0.059 0.000 2.408 461 F HA 0.484 5.012 4.527 0.000 0.000 0.325 461 F C 1.491 176.913 175.800 -0.628 0.000 1.082 461 F CA -0.359 57.527 58.000 -0.189 0.000 1.032 461 F CB 1.451 40.339 39.000 -0.187 0.000 1.259 461 F HN 0.693 nan 8.300 nan 0.000 0.503 462 S N 0.855 116.074 115.700 -0.800 0.000 2.549 462 S HA 0.158 4.628 4.470 0.000 0.000 0.260 462 S C 1.334 175.741 174.600 -0.323 0.000 1.217 462 S CA -0.403 57.117 58.200 -1.133 0.000 1.001 462 S CB 0.352 62.937 63.200 -1.025 0.000 1.059 462 S HN 0.703 nan 8.310 nan 0.000 0.537 463 K N 0.398 120.706 120.400 -0.153 0.000 1.984 463 K HA -0.030 4.290 4.320 0.000 0.000 0.209 463 K C 1.467 178.055 176.600 -0.020 0.000 1.046 463 K CA 1.597 57.877 56.287 -0.012 0.000 0.934 463 K CB -0.364 32.161 32.500 0.042 0.000 0.717 463 K HN 0.611 nan 8.250 nan 0.000 0.438 464 E N -0.762 119.409 120.200 -0.048 0.000 2.463 464 E HA 0.217 4.567 4.350 0.000 0.000 0.193 464 E C -0.577 175.992 176.600 -0.051 0.000 1.041 464 E CA 0.481 56.864 56.400 -0.027 0.000 0.879 464 E CB 0.886 30.581 29.700 -0.009 0.000 0.997 464 E HN 0.409 nan 8.360 nan 0.000 0.478 465 A N 0.831 123.605 122.820 -0.077 0.000 2.648 465 A HA -0.293 4.027 4.320 0.000 0.000 0.297 465 A C 1.162 178.732 177.584 -0.023 0.000 1.467 465 A CA 1.292 53.307 52.037 -0.036 0.000 0.731 465 A CB -1.894 16.955 19.000 -0.250 0.000 1.085 465 A HN 0.246 nan 8.150 nan 0.000 0.437 466 K N -1.478 118.871 120.400 -0.084 0.000 2.370 466 K HA 0.358 4.678 4.320 0.000 0.000 0.194 466 K C -0.384 175.949 176.600 -0.446 0.000 1.070 466 K CA 0.688 56.832 56.287 -0.237 0.000 0.998 466 K CB 0.422 32.743 32.500 -0.297 0.000 0.911 466 K HN 0.661 nan 8.250 nan 0.000 0.533 467 Y N 0.391 120.647 120.300 -0.072 0.000 2.373 467 Y HA 0.279 4.829 4.550 0.000 0.000 0.336 467 Y C -0.875 174.933 175.900 -0.153 0.000 0.979 467 Y CA -1.419 56.632 58.100 -0.082 0.000 1.080 467 Y CB 1.346 39.803 38.460 -0.006 0.000 1.190 467 Y HN -0.049 nan 8.280 nan 0.000 0.446 468 Y N -0.257 120.011 120.300 -0.055 0.000 2.570 468 Y HA 0.687 5.237 4.550 0.000 0.000 0.345 468 Y C -1.023 174.859 175.900 -0.030 0.000 1.014 468 Y CA -1.564 56.369 58.100 -0.279 0.000 1.063 468 Y CB 1.654 39.548 38.460 -0.944 0.000 1.272 468 Y HN 0.555 nan 8.280 nan 0.000 0.477 469 Q N 2.607 122.471 119.800 0.108 0.000 2.331 469 Q HA 0.530 4.870 4.340 0.000 0.000 0.267 469 Q C -1.977 174.093 176.000 0.116 0.000 1.006 469 Q CA -0.765 55.108 55.803 0.116 0.000 0.818 469 Q CB 1.538 30.363 28.738 0.145 0.000 1.276 469 Q HN 0.963 nan 8.270 nan 0.000 0.450 470 L N 4.291 125.599 121.223 0.142 0.000 2.272 470 L HA 0.519 4.859 4.340 0.000 0.000 0.289 470 L C -0.057 176.866 176.870 0.087 0.000 1.032 470 L CA -0.478 54.454 54.840 0.153 0.000 0.810 470 L CB 1.389 43.548 42.059 0.168 0.000 1.205 470 L HN 0.510 nan 8.230 nan 0.000 0.422 471 R N 3.478 123.989 120.500 0.019 0.000 2.229 471 R HA 0.349 4.689 4.340 0.000 0.000 0.328 471 R C -0.956 175.150 176.300 -0.323 0.000 1.009 471 R CA -0.428 55.500 56.100 -0.287 0.000 0.864 471 R CB 1.190 31.402 30.300 -0.146 0.000 1.085 471 R HN 0.693 nan 8.270 nan 0.000 0.453 472 c N 4.782 123.051 118.600 -0.552 0.000 2.251 472 c HA 0.398 4.968 4.570 0.000 0.000 0.323 472 c C 0.984 174.828 174.090 -0.410 0.000 1.241 472 c CA -0.463 55.467 56.329 -0.666 0.000 1.601 472 c CB 0.260 42.295 42.510 -0.792 0.000 2.251 472 c HN 0.950 nan 8.230 nan 0.000 0.488 473 S N 3.750 119.317 115.700 -0.222 0.000 2.582 473 S HA 0.617 5.087 4.470 0.000 0.000 0.234 473 S C 0.518 175.082 174.600 -0.060 0.000 0.961 473 S CA 0.191 58.328 58.200 -0.104 0.000 0.953 473 S CB 0.048 63.225 63.200 -0.040 0.000 0.800 473 S HN 1.756 nan 8.310 nan 0.000 0.471 474 G N 1.809 110.554 108.800 -0.091 0.000 2.337 474 G HA2 0.342 4.303 3.960 0.000 0.000 0.298 474 G HA3 0.342 4.303 3.960 0.000 0.000 0.298 474 G C -3.001 171.869 174.900 -0.050 0.000 1.335 474 G CA -0.544 44.538 45.100 -0.031 0.000 0.875 474 G HN -0.106 nan 8.290 nan 0.000 0.579 475 P HA 0.133 nan 4.420 nan 0.000 0.229 475 P C 1.282 178.582 177.300 -0.001 0.000 1.160 475 P CA 1.427 64.545 63.100 0.029 0.000 0.777 475 P CB 0.283 32.000 31.700 0.028 0.000 0.814 476 G N 0.466 109.196 108.800 -0.116 0.000 2.543 476 G HA2 0.371 4.331 3.960 0.000 0.000 0.290 476 G HA3 0.371 4.331 3.960 0.000 0.000 0.290 476 G C -0.600 174.020 174.900 -0.468 0.000 1.310 476 G CA -0.527 44.410 45.100 -0.270 0.000 1.025 476 G HN -0.040 nan 8.290 nan 0.000 0.502 477 L N 1.340 122.182 121.223 -0.636 0.000 2.578 477 L HA 0.130 4.471 4.340 0.000 0.000 0.279 477 L C -1.628 175.079 176.870 -0.272 0.000 1.227 477 L CA -0.537 53.949 54.840 -0.590 0.000 0.900 477 L CB -0.103 41.710 42.059 -0.409 0.000 1.144 477 L HN 0.239 nan 8.230 nan 0.000 0.496 478 P HA 0.022 nan 4.420 nan 0.000 0.263 478 P C -0.900 176.333 177.300 -0.112 0.000 1.175 478 P CA 0.055 63.088 63.100 -0.111 0.000 0.761 478 P CB 0.460 32.198 31.700 0.064 0.000 0.794 479 L N 5.179 126.235 121.223 -0.278 0.000 2.385 479 L HA 0.497 4.838 4.340 0.000 0.000 0.273 479 L C -1.631 175.032 176.870 -0.345 0.000 0.990 479 L CA -0.583 54.145 54.840 -0.188 0.000 0.821 479 L CB 1.089 43.059 42.059 -0.149 0.000 1.279 479 L HN 0.249 nan 8.230 nan 0.000 0.412 480 Y N 2.828 123.086 120.300 -0.070 0.000 2.328 480 Y HA 0.700 5.250 4.550 0.000 0.000 0.336 480 Y C 0.151 175.946 175.900 -0.175 0.000 0.960 480 Y CA -0.569 57.475 58.100 -0.093 0.000 1.134 480 Y CB 2.160 40.562 38.460 -0.097 0.000 1.166 480 Y HN 0.653 nan 8.280 nan 0.000 0.464 481 T N 1.525 116.073 114.554 -0.010 0.000 2.903 481 T HA 0.560 4.910 4.350 0.000 0.000 0.299 481 T C -1.618 172.994 174.700 -0.147 0.000 1.093 481 T CA -0.898 61.131 62.100 -0.118 0.000 1.002 481 T CB 1.940 70.780 68.868 -0.048 0.000 1.127 481 T HN 0.417 nan 8.240 nan 0.000 0.488 482 L N 2.969 124.003 121.223 -0.315 0.000 2.313 482 L HA 0.510 4.850 4.340 0.000 0.000 0.283 482 L C -0.689 175.906 176.870 -0.459 0.000 1.013 482 L CA -0.345 54.350 54.840 -0.241 0.000 0.816 482 L CB 0.776 42.761 42.059 -0.124 0.000 1.236 482 L HN 0.873 nan 8.230 nan 0.000 0.419 483 H N 2.051 120.874 119.070 -0.411 0.000 2.731 483 H HA 0.330 4.886 4.556 0.000 0.000 0.368 483 H C -0.794 174.230 175.328 -0.506 0.000 1.168 483 H CA -0.634 55.072 56.048 -0.570 0.000 1.181 483 H CB 2.503 31.650 29.762 -1.024 0.000 1.743 483 H HN 0.494 nan 8.280 nan 0.000 0.547 484 S N 0.401 115.992 115.700 -0.182 0.000 2.454 484 S HA 0.108 4.578 4.470 0.000 0.000 0.306 484 S C 0.942 175.531 174.600 -0.019 0.000 1.100 484 S CA -0.537 57.571 58.200 -0.154 0.000 1.087 484 S CB 0.746 63.863 63.200 -0.138 0.000 1.019 484 S HN 0.701 nan 8.310 nan 0.000 0.480 485 S N 3.875 119.614 115.700 0.065 0.000 2.603 485 S HA -0.010 4.460 4.470 0.000 0.000 0.220 485 S C 1.549 176.184 174.600 0.058 0.000 0.967 485 S CA 0.400 58.717 58.200 0.194 0.000 0.920 485 S CB 0.013 63.321 63.200 0.180 0.000 0.773 485 S HN 0.608 nan 8.310 nan 0.000 0.529 486 V N 3.046 122.945 119.914 -0.026 0.000 2.515 486 V HA -0.070 4.050 4.120 0.000 0.000 0.250 486 V C 1.769 177.860 176.094 -0.005 0.000 1.058 486 V CA 1.993 64.280 62.300 -0.023 0.000 1.064 486 V CB -0.424 31.367 31.823 -0.053 0.000 0.675 486 V HN 0.921 nan 8.190 nan 0.000 0.461 487 N N -2.743 115.956 118.700 -0.003 0.000 1.986 487 N HA 0.012 4.752 4.740 0.000 0.000 0.227 487 N C -0.444 175.068 175.510 0.003 0.000 1.387 487 N CA 0.605 53.653 53.050 -0.004 0.000 0.810 487 N CB 0.330 38.816 38.487 -0.002 0.000 1.140 487 N HN 0.382 nan 8.380 nan 0.000 0.504 488 D N 0.959 121.381 120.400 0.036 0.000 2.778 488 D HA -0.151 4.489 4.640 0.000 0.000 0.246 488 D C -0.561 175.769 176.300 0.052 0.000 1.107 488 D CA 0.891 54.934 54.000 0.072 0.000 0.732 488 D CB -1.116 39.711 40.800 0.044 0.000 1.055 488 D HN 0.782 nan 8.370 nan 0.000 0.429 489 K N -0.812 119.611 120.400 0.040 0.000 2.318 489 K HA 0.638 4.958 4.320 0.000 0.000 0.249 489 K C 0.289 176.886 176.600 -0.006 0.000 0.942 489 K CA -0.650 55.652 56.287 0.025 0.000 0.808 489 K CB 1.976 34.474 32.500 -0.003 0.000 1.189 489 K HN -0.022 nan 8.250 nan 0.000 0.428 490 G N 2.979 111.747 108.800 -0.054 0.000 2.361 490 G HA2 0.187 4.147 3.960 0.000 0.000 0.260 490 G HA3 0.187 4.147 3.960 0.000 0.000 0.260 490 G C 0.377 175.152 174.900 -0.208 0.000 1.261 490 G CA -0.590 44.348 45.100 -0.271 0.000 0.897 490 G HN 0.646 nan 8.290 nan 0.000 0.499 491 L N 1.758 122.835 121.223 -0.243 0.000 2.102 491 L HA 0.301 4.641 4.340 0.000 0.000 0.202 491 L C 1.682 178.466 176.870 -0.143 0.000 1.076 491 L CA 0.906 55.669 54.840 -0.128 0.000 0.761 491 L CB -0.056 41.977 42.059 -0.043 0.000 0.921 491 L HN 0.779 nan 8.230 nan 0.000 0.444 492 R N -2.001 118.375 120.500 -0.207 0.000 2.728 492 R HA 0.399 4.739 4.340 0.000 0.000 0.274 492 R C -1.775 174.383 176.300 -0.238 0.000 1.030 492 R CA -0.845 55.142 56.100 -0.188 0.000 0.876 492 R CB 1.400 31.615 30.300 -0.142 0.000 1.259 492 R HN -0.279 nan 8.270 nan 0.000 0.468 493 V N 3.250 123.045 119.914 -0.199 0.000 2.406 493 V HA 0.195 4.315 4.120 0.000 0.000 0.272 493 V C 1.200 177.126 176.094 -0.280 0.000 1.043 493 V CA -0.395 61.785 62.300 -0.200 0.000 0.915 493 V CB 1.171 32.915 31.823 -0.131 0.000 0.988 493 V HN 0.652 nan 8.190 nan 0.000 0.466 494 L N 2.837 123.821 121.223 -0.398 0.000 2.168 494 L HA 0.304 4.644 4.340 0.000 0.000 0.203 494 L C 0.735 177.294 176.870 -0.520 0.000 1.078 494 L CA 0.706 55.075 54.840 -0.785 0.000 0.780 494 L CB 0.138 41.373 42.059 -1.375 0.000 0.939 494 L HN 0.640 nan 8.230 nan 0.000 0.451 495 E N -0.228 119.847 120.200 -0.209 0.000 2.311 495 E HA 0.109 4.459 4.350 0.000 0.000 0.281 495 E C -1.133 175.504 176.600 0.061 0.000 0.905 495 E CA -0.334 56.056 56.400 -0.017 0.000 0.778 495 E CB 1.263 30.994 29.700 0.051 0.000 1.240 495 E HN 0.185 nan 8.360 nan 0.000 0.410 496 D N 2.735 123.149 120.400 0.023 0.000 2.441 496 D HA 0.152 4.792 4.640 0.000 0.000 0.210 496 D C -0.023 176.283 176.300 0.010 0.000 1.102 496 D CA -0.189 53.815 54.000 0.006 0.000 0.840 496 D CB 0.122 40.908 40.800 -0.023 0.000 0.990 496 D HN 0.438 nan 8.370 nan 0.000 0.505 497 N N 0.043 118.766 118.700 0.039 0.000 2.741 497 N HA -0.218 4.522 4.740 0.000 0.000 0.250 497 N C 0.905 176.422 175.510 0.012 0.000 1.115 497 N CA 0.946 54.019 53.050 0.037 0.000 0.724 497 N CB -1.368 37.141 38.487 0.037 0.000 1.090 497 N HN 0.462 nan 8.380 nan 0.000 0.558 498 S N -1.286 114.418 115.700 0.007 0.000 2.419 498 S HA -0.008 4.462 4.470 0.000 0.000 0.233 498 S C 2.092 176.703 174.600 0.018 0.000 1.016 498 S CA 0.976 59.177 58.200 0.001 0.000 0.974 498 S CB -0.088 63.110 63.200 -0.003 0.000 0.786 498 S HN 0.499 nan 8.310 nan 0.000 0.492 499 A N 1.950 124.791 122.820 0.034 0.000 1.877 499 A HA 0.048 4.368 4.320 0.000 0.000 0.216 499 A C 2.216 179.841 177.584 0.069 0.000 1.186 499 A CA 1.638 53.706 52.037 0.051 0.000 0.620 499 A CB -0.849 18.186 19.000 0.059 0.000 0.822 499 A HN 0.535 nan 8.150 nan 0.000 0.443 500 L N -0.244 121.023 121.223 0.073 0.000 2.156 500 L HA -0.079 4.261 4.340 0.000 0.000 0.208 500 L C 1.906 178.807 176.870 0.052 0.000 1.095 500 L CA 2.212 57.111 54.840 0.098 0.000 0.770 500 L CB -0.442 41.684 42.059 0.111 0.000 0.914 500 L HN 0.440 nan 8.230 nan 0.000 0.439 501 D N -0.424 119.982 120.400 0.010 0.000 2.144 501 D HA -0.219 4.421 4.640 0.000 0.000 0.199 501 D C 1.986 178.284 176.300 -0.003 0.000 0.984 501 D CA 0.729 54.715 54.000 -0.023 0.000 0.834 501 D CB 0.218 40.995 40.800 -0.040 0.000 0.955 501 D HN 0.145 nan 8.370 nan 0.000 0.465 502 K N 0.359 120.772 120.400 0.021 0.000 2.057 502 K HA -0.067 4.253 4.320 0.000 0.000 0.207 502 K C 2.259 178.887 176.600 0.047 0.000 1.049 502 K CA 0.729 57.035 56.287 0.032 0.000 0.931 502 K CB -0.392 32.133 32.500 0.041 0.000 0.714 502 K HN 0.296 nan 8.250 nan 0.000 0.440 503 M N 0.080 119.726 119.600 0.077 0.000 2.254 503 M HA -0.065 4.415 4.480 0.000 0.000 0.265 503 M C 1.731 178.043 176.300 0.019 0.000 1.066 503 M CA 1.017 56.390 55.300 0.121 0.000 1.123 503 M CB -0.026 32.739 32.600 0.275 0.000 1.388 503 M HN -0.027 nan 8.290 nan 0.000 0.425 504 L N -0.293 120.899 121.223 -0.052 0.000 2.650 504 L HA -0.076 4.265 4.340 0.000 0.000 0.235 504 L C 1.806 178.636 176.870 -0.067 0.000 1.149 504 L CA 0.285 55.046 54.840 -0.131 0.000 0.887 504 L CB -0.480 41.505 42.059 -0.124 0.000 1.021 504 L HN 0.397 nan 8.230 nan 0.000 0.441 505 Q N -0.520 119.266 119.800 -0.024 0.000 2.354 505 Q HA -0.030 4.310 4.340 0.000 0.000 0.203 505 Q C 1.561 177.569 176.000 0.013 0.000 0.933 505 Q CA 0.559 56.358 55.803 -0.005 0.000 0.901 505 Q CB 0.167 28.908 28.738 0.005 0.000 1.007 505 Q HN 0.592 nan 8.270 nan 0.000 0.495 506 N N -0.014 118.701 118.700 0.026 0.000 2.300 506 N HA -0.035 4.706 4.740 0.000 0.000 0.179 506 N C 0.269 175.809 175.510 0.050 0.000 1.016 506 N CA 0.104 53.184 53.050 0.050 0.000 0.876 506 N CB 0.634 39.170 38.487 0.081 0.000 0.979 506 N HN -0.029 nan 8.380 nan 0.000 0.432 507 V N 1.786 121.710 119.914 0.016 0.000 2.481 507 V HA 0.136 4.256 4.120 0.000 0.000 0.286 507 V C -0.658 175.439 176.094 0.004 0.000 1.042 507 V CA -0.618 61.695 62.300 0.022 0.000 0.928 507 V CB 1.537 33.349 31.823 -0.017 0.000 0.986 507 V HN 0.141 nan 8.190 nan 0.000 0.462 508 Q N 7.017 126.836 119.800 0.032 0.000 2.489 508 Q HA 0.257 4.597 4.340 0.000 0.000 0.231 508 Q C -0.330 175.646 176.000 -0.040 0.000 1.273 508 Q CA -0.017 55.779 55.803 -0.011 0.000 0.898 508 Q CB 0.315 29.072 28.738 0.032 0.000 1.545 508 Q HN 0.614 nan 8.270 nan 0.000 0.538 509 M N 3.751 123.309 119.600 -0.070 0.000 2.250 509 M HA 0.318 4.799 4.480 0.000 0.000 0.344 509 M C -1.958 174.276 176.300 -0.111 0.000 1.150 509 M CA -2.432 52.817 55.300 -0.085 0.000 1.147 509 M CB 0.022 32.575 32.600 -0.079 0.000 1.498 509 M HN 0.334 nan 8.290 nan 0.000 0.461 510 P HA 0.223 nan 4.420 nan 0.000 0.276 510 P C -0.731 176.488 177.300 -0.135 0.000 1.252 510 P CA -0.347 62.665 63.100 -0.148 0.000 0.802 510 P CB 0.576 32.175 31.700 -0.169 0.000 1.035 511 S N 0.014 115.618 115.700 -0.160 0.000 2.747 511 S HA 0.599 5.070 4.470 0.000 0.000 0.300 511 S C -0.483 174.022 174.600 -0.158 0.000 1.121 511 S CA -0.750 57.369 58.200 -0.134 0.000 0.995 511 S CB 1.544 64.666 63.200 -0.129 0.000 1.113 511 S HN 0.508 nan 8.310 nan 0.000 0.547 512 K N 0.579 120.911 120.400 -0.113 0.000 2.545 512 K HA 0.363 4.684 4.320 0.000 0.000 0.252 512 K C -1.336 175.212 176.600 -0.087 0.000 0.948 512 K CA -0.468 55.758 56.287 -0.103 0.000 0.827 512 K CB 1.246 33.713 32.500 -0.055 0.000 1.128 512 K HN 0.731 nan 8.250 nan 0.000 0.429 513 K N 5.695 126.031 120.400 -0.107 0.000 2.234 513 K HA 0.317 4.637 4.320 0.000 0.000 0.277 513 K C -1.253 175.312 176.600 -0.058 0.000 1.038 513 K CA -0.622 55.623 56.287 -0.070 0.000 0.888 513 K CB 0.882 33.339 32.500 -0.071 0.000 1.091 513 K HN 0.560 nan 8.250 nan 0.000 0.467 514 L N 4.296 125.492 121.223 -0.046 0.000 2.322 514 L HA 0.518 4.858 4.340 0.000 0.000 0.281 514 L C -1.165 175.670 176.870 -0.059 0.000 1.014 514 L CA -0.279 54.542 54.840 -0.032 0.000 0.815 514 L CB 1.451 43.557 42.059 0.077 0.000 1.247 514 L HN 0.913 nan 8.230 nan 0.000 0.421 515 D N 2.372 122.601 120.400 -0.284 0.000 2.725 515 D HA 0.292 4.932 4.640 0.000 0.000 0.292 515 D C -1.578 174.373 176.300 -0.581 0.000 1.288 515 D CA -0.196 53.567 54.000 -0.395 0.000 0.784 515 D CB 2.024 42.550 40.800 -0.456 0.000 1.308 515 D HN 0.227 nan 8.370 nan 0.000 0.429 516 F N 0.323 119.842 119.950 -0.718 0.000 2.541 516 F HA 0.805 5.332 4.527 0.000 0.000 0.331 516 F C -0.264 175.510 175.800 -0.045 0.000 1.057 516 F CA -0.937 56.676 58.000 -0.645 0.000 0.975 516 F CB 0.890 39.069 39.000 -1.368 0.000 1.246 516 F HN 0.240 nan 8.300 nan 0.000 0.484 517 I N 0.355 121.102 120.570 0.296 0.000 2.730 517 I HA 0.519 4.689 4.170 0.000 0.000 0.298 517 I C -1.231 175.102 176.117 0.360 0.000 1.089 517 I CA -1.215 60.251 61.300 0.278 0.000 1.041 517 I CB 2.219 40.394 38.000 0.291 0.000 1.235 517 I HN 0.452 nan 8.210 nan 0.000 0.423 518 I N 5.577 126.314 120.570 0.279 0.000 2.337 518 I HA 0.357 4.527 4.170 0.000 0.000 0.291 518 I C -0.559 175.700 176.117 0.237 0.000 1.046 518 I CA -0.189 61.257 61.300 0.243 0.000 1.324 518 I CB 0.775 38.882 38.000 0.178 0.000 1.409 518 I HN 0.455 nan 8.210 nan 0.000 0.494 519 L N 7.222 128.642 121.223 0.329 0.000 2.406 519 L HA 0.431 4.771 4.340 0.000 0.000 0.272 519 L C 0.194 177.230 176.870 0.276 0.000 0.980 519 L CA -0.242 54.781 54.840 0.305 0.000 0.831 519 L CB 1.176 43.453 42.059 0.365 0.000 1.253 519 L HN 0.451 nan 8.230 nan 0.000 0.406 520 N N 2.899 121.692 118.700 0.155 0.000 2.716 520 N HA -0.261 4.479 4.740 0.000 0.000 0.250 520 N C -0.121 175.441 175.510 0.086 0.000 1.033 520 N CA 1.278 54.391 53.050 0.106 0.000 0.727 520 N CB -0.999 37.548 38.487 0.100 0.000 0.950 520 N HN 0.861 nan 8.380 nan 0.000 0.541 521 E N -3.211 117.034 120.200 0.076 0.000 2.637 521 E HA -0.221 4.129 4.350 0.000 0.000 0.265 521 E C -0.841 175.758 176.600 -0.002 0.000 1.073 521 E CA 1.234 57.656 56.400 0.037 0.000 0.778 521 E CB -1.599 28.112 29.700 0.019 0.000 1.362 521 E HN 0.500 nan 8.360 nan 0.000 0.413 522 T N 0.297 114.851 114.554 -0.000 0.000 2.861 522 T HA 0.335 4.685 4.350 0.000 0.000 0.287 522 T C -0.159 174.383 174.700 -0.263 0.000 1.003 522 T CA -0.910 61.077 62.100 -0.188 0.000 0.977 522 T CB 1.709 70.381 68.868 -0.328 0.000 0.996 522 T HN 0.003 nan 8.240 nan 0.000 0.448 523 K N 2.242 122.434 120.400 -0.346 0.000 2.338 523 K HA 0.300 4.620 4.320 0.000 0.000 0.290 523 K C -1.114 175.246 176.600 -0.401 0.000 1.069 523 K CA 0.028 56.115 56.287 -0.333 0.000 0.941 523 K CB 0.109 32.358 32.500 -0.417 0.000 1.023 523 K HN 0.399 nan 8.250 nan 0.000 0.477 524 F N 3.019 122.979 119.950 0.016 0.000 2.403 524 F HA 0.269 4.796 4.527 -0.000 0.000 0.355 524 F C -0.335 175.443 175.800 -0.036 0.000 1.119 524 F CA -0.824 57.171 58.000 -0.009 0.000 1.007 524 F CB 0.693 39.700 39.000 0.011 0.000 1.194 524 F HN 0.406 nan 8.300 nan 0.000 0.443 525 W N 4.330 125.700 121.300 0.118 0.000 2.251 525 W HA 0.458 5.118 4.660 0.000 0.000 0.329 525 W C -0.383 176.209 176.519 0.121 0.000 1.234 525 W CA -0.483 56.941 57.345 0.132 0.000 1.228 525 W CB 0.501 30.012 29.460 0.084 0.000 1.135 525 W HN 0.462 nan 8.180 nan 0.000 0.576 526 Y N -0.154 120.391 120.300 0.407 0.000 2.638 526 Y HA 0.695 5.245 4.550 -0.000 0.000 0.339 526 Y C -0.854 175.246 175.900 0.332 0.000 1.084 526 Y CA -1.900 56.450 58.100 0.418 0.000 1.068 526 Y CB 1.189 40.057 38.460 0.680 0.000 1.294 526 Y HN 0.554 nan 8.280 nan 0.000 0.480 527 Q N 2.048 122.090 119.800 0.404 0.000 2.421 527 Q HA 0.735 5.075 4.340 0.000 0.000 0.280 527 Q C -1.838 174.292 176.000 0.216 0.000 1.085 527 Q CA -1.127 54.794 55.803 0.197 0.000 0.807 527 Q CB 3.200 32.012 28.738 0.123 0.000 1.405 527 Q HN 0.868 nan 8.270 nan 0.000 0.419 528 M N 2.587 122.237 119.600 0.082 0.000 2.327 528 M HA 0.433 4.913 4.480 0.000 0.000 0.298 528 M C -1.286 174.938 176.300 -0.126 0.000 1.065 528 M CA -0.970 54.302 55.300 -0.046 0.000 0.916 528 M CB 2.152 34.688 32.600 -0.107 0.000 1.630 528 M HN 0.629 nan 8.290 nan 0.000 0.442 529 I N 5.124 125.609 120.570 -0.141 0.000 2.301 529 I HA 0.364 4.534 4.170 0.000 0.000 0.292 529 I C -0.457 175.491 176.117 -0.282 0.000 1.046 529 I CA -0.295 60.895 61.300 -0.183 0.000 1.282 529 I CB 0.217 38.133 38.000 -0.140 0.000 1.409 529 I HN 0.626 nan 8.210 nan 0.000 0.484 530 L N 8.462 129.463 121.223 -0.369 0.000 2.307 530 L HA 0.461 4.801 4.340 0.000 0.000 0.284 530 L C -2.176 174.461 176.870 -0.388 0.000 1.023 530 L CA -1.773 52.726 54.840 -0.568 0.000 0.810 530 L CB 1.484 43.016 42.059 -0.879 0.000 1.231 530 L HN 0.278 nan 8.230 nan 0.000 0.423 531 P HA 0.031 nan 4.420 nan 0.000 0.269 531 P C -2.443 174.799 177.300 -0.096 0.000 1.217 531 P CA -0.764 62.246 63.100 -0.150 0.000 0.783 531 P CB -0.287 31.391 31.700 -0.037 0.000 0.898 532 P HA -0.065 nan 4.420 nan 0.000 0.269 532 P C -0.091 177.137 177.300 -0.120 0.000 1.215 532 P CA 0.585 63.550 63.100 -0.225 0.000 0.780 532 P CB 0.012 31.517 31.700 -0.325 0.000 0.898 533 H N -1.964 117.150 119.070 0.074 0.000 2.741 533 H HA -0.207 4.349 4.556 0.000 0.000 0.305 533 H C 0.185 175.587 175.328 0.122 0.000 1.169 533 H CA 0.154 56.250 56.048 0.080 0.000 1.144 533 H CB -2.468 27.332 29.762 0.063 0.000 1.397 533 H HN 0.402 nan 8.280 nan 0.000 0.409 534 F N 2.505 122.458 119.950 0.004 0.000 2.629 534 F HA 0.199 4.727 4.527 0.001 0.000 0.377 534 F C 0.503 176.314 175.800 0.017 0.000 1.101 534 F CA 0.126 58.088 58.000 -0.063 0.000 1.301 534 F CB 0.571 39.416 39.000 -0.259 0.000 1.062 534 F HN 0.195 nan 8.300 nan 0.000 0.583 535 D N 5.036 125.018 120.400 -0.696 0.000 2.602 535 D HA 0.206 4.846 4.640 0.000 0.000 0.245 535 D C 0.131 176.068 176.300 -0.605 0.000 1.325 535 D CA -0.524 53.179 54.000 -0.495 0.000 0.952 535 D CB 1.403 42.121 40.800 -0.136 0.000 1.317 535 D HN 0.600 nan 8.370 nan 0.000 0.577 536 K N 0.743 120.797 120.400 -0.577 0.000 2.360 536 K HA -0.075 4.245 4.320 0.000 0.000 0.201 536 K C 1.600 178.189 176.600 -0.018 0.000 1.046 536 K CA 1.145 57.294 56.287 -0.230 0.000 0.945 536 K CB 0.128 32.601 32.500 -0.045 0.000 0.750 536 K HN 0.416 nan 8.250 nan 0.000 0.464 537 S N 0.263 115.922 115.700 -0.069 0.000 2.527 537 S HA 0.032 4.502 4.470 0.000 0.000 0.222 537 S C 0.561 175.135 174.600 -0.044 0.000 0.985 537 S CA 0.116 58.295 58.200 -0.036 0.000 0.921 537 S CB 0.098 63.270 63.200 -0.046 0.000 0.772 537 S HN 0.079 nan 8.310 nan 0.000 0.529 538 K N 1.047 121.408 120.400 -0.064 0.000 2.106 538 K HA 0.420 4.740 4.320 0.000 0.000 0.246 538 K C -0.522 176.035 176.600 -0.071 0.000 0.987 538 K CA -0.757 55.444 56.287 -0.143 0.000 0.904 538 K CB 0.603 32.900 32.500 -0.338 0.000 1.071 538 K HN -0.055 nan 8.250 nan 0.000 0.453 539 K N 2.460 122.773 120.400 -0.145 0.000 2.316 539 K HA 0.239 4.559 4.320 0.000 0.000 0.267 539 K C -1.034 175.490 176.600 -0.126 0.000 1.025 539 K CA -0.320 55.939 56.287 -0.047 0.000 0.896 539 K CB 0.672 33.139 32.500 -0.054 0.000 1.124 539 K HN 0.454 nan 8.250 nan 0.000 0.451 540 Y N 3.348 123.687 120.300 0.064 0.000 2.334 540 Y HA 0.234 4.784 4.550 -0.000 0.000 0.328 540 Y C -1.671 174.177 175.900 -0.088 0.000 1.130 540 Y CA -2.096 56.018 58.100 0.024 0.000 1.163 540 Y CB 0.898 39.441 38.460 0.137 0.000 1.207 540 Y HN 0.432 nan 8.280 nan 0.000 0.471 541 P HA 0.142 nan 4.420 nan 0.000 0.275 541 P C -1.209 175.926 177.300 -0.276 0.000 1.228 541 P CA -0.207 62.619 63.100 -0.456 0.000 0.786 541 P CB 1.521 32.590 31.700 -1.053 0.000 0.927 542 L N 3.733 124.834 121.223 -0.202 0.000 2.386 542 L HA 0.620 4.960 4.340 0.000 0.000 0.271 542 L C -1.498 175.536 176.870 0.275 0.000 0.993 542 L CA -0.998 53.875 54.840 0.055 0.000 0.819 542 L CB 1.799 43.913 42.059 0.091 0.000 1.294 542 L HN 0.169 nan 8.230 nan 0.000 0.414 543 L N 5.123 126.528 121.223 0.304 0.000 2.325 543 L HA 0.562 4.902 4.340 0.000 0.000 0.281 543 L C -1.424 175.675 176.870 0.382 0.000 1.004 543 L CA -0.427 54.659 54.840 0.409 0.000 0.823 543 L CB 1.514 43.777 42.059 0.339 0.000 1.236 543 L HN 0.696 nan 8.230 nan 0.000 0.415 544 L N 5.026 126.521 121.223 0.454 0.000 2.283 544 L HA 0.376 4.716 4.340 0.000 0.000 0.287 544 L C -0.572 176.526 176.870 0.379 0.000 1.073 544 L CA 0.286 55.379 54.840 0.421 0.000 0.822 544 L CB 0.411 42.755 42.059 0.475 0.000 1.186 544 L HN 0.660 nan 8.230 nan 0.000 0.436 545 D N 4.444 125.046 120.400 0.337 0.000 2.359 545 D HA 0.282 4.923 4.640 0.000 0.000 0.230 545 D C -1.075 175.303 176.300 0.129 0.000 1.118 545 D CA -0.016 54.114 54.000 0.216 0.000 0.844 545 D CB 1.274 42.283 40.800 0.348 0.000 1.059 545 D HN 0.291 nan 8.370 nan 0.000 0.493 546 V N 6.125 126.035 119.914 -0.007 0.000 2.735 546 V HA 0.423 4.543 4.120 0.000 0.000 0.310 546 V C -0.923 175.272 176.094 0.168 0.000 1.061 546 V CA -0.531 61.845 62.300 0.127 0.000 0.913 546 V CB 1.686 33.598 31.823 0.147 0.000 1.005 546 V HN 0.613 nan 8.190 nan 0.000 0.428 547 Y N 5.601 125.972 120.300 0.119 0.000 2.808 547 Y HA 0.479 5.029 4.550 0.000 0.000 0.244 547 Y C 1.640 177.672 175.900 0.220 0.000 1.033 547 Y CA 1.266 59.461 58.100 0.158 0.000 1.415 547 Y CB -0.141 38.401 38.460 0.136 0.000 1.420 547 Y HN 1.346 nan 8.280 nan 0.000 0.484 548 A N 0.904 123.824 122.820 0.166 0.000 2.829 548 A HA -0.175 4.145 4.320 0.000 0.000 0.267 548 A C 1.121 178.580 177.584 -0.208 0.000 1.370 548 A CA 1.170 53.241 52.037 0.057 0.000 0.900 548 A CB -2.417 16.732 19.000 0.248 0.000 1.044 548 A HN 0.917 nan 8.150 nan 0.000 0.691 549 G N -1.051 107.344 108.800 -0.675 0.000 2.651 549 G HA2 0.487 4.447 3.960 0.000 0.000 0.260 549 G HA3 0.487 4.447 3.960 0.000 0.000 0.260 549 G C -2.396 172.058 174.900 -0.744 0.000 1.216 549 G CA -0.813 43.541 45.100 -1.243 0.000 0.913 549 G HN 0.308 nan 8.290 nan 0.000 0.535 550 P HA 0.155 nan 4.420 nan 0.000 0.271 550 P C 0.418 177.516 177.300 -0.337 0.000 1.226 550 P CA 0.001 62.765 63.100 -0.560 0.000 0.765 550 P CB 0.866 31.816 31.700 -1.250 0.000 0.835 551 C N 2.643 121.816 119.300 -0.213 0.000 4.456 551 C HA -0.137 4.323 4.460 0.000 0.000 0.288 551 C C 0.810 175.758 174.990 -0.070 0.000 1.374 551 C CA 1.097 59.978 59.018 -0.229 0.000 1.956 551 C CB -2.766 24.695 27.740 -0.465 0.000 1.255 551 C HN 0.780 nan 8.230 nan 0.000 0.788 552 S N 0.091 115.691 115.700 -0.166 0.000 2.632 552 S HA 0.615 5.085 4.470 0.000 0.000 0.271 552 S C -0.664 173.973 174.600 0.062 0.000 1.260 552 S CA -0.077 58.002 58.200 -0.202 0.000 1.010 552 S CB 1.743 64.327 63.200 -1.026 0.000 0.965 552 S HN 0.765 nan 8.310 nan 0.000 0.534 553 Q N 0.514 120.436 119.800 0.205 0.000 2.414 553 Q HA 0.350 4.690 4.340 0.000 0.000 0.256 553 Q C -0.408 175.720 176.000 0.213 0.000 0.974 553 Q CA -0.597 55.346 55.803 0.234 0.000 0.723 553 Q CB 0.915 29.834 28.738 0.301 0.000 1.281 553 Q HN 0.686 nan 8.270 nan 0.000 0.470 554 K N 0.843 121.363 120.400 0.200 0.000 2.367 554 K HA 0.293 4.614 4.320 0.000 0.000 0.194 554 K C -0.300 176.409 176.600 0.182 0.000 1.027 554 K CA 0.243 56.658 56.287 0.212 0.000 1.075 554 K CB 1.248 33.898 32.500 0.250 0.000 0.845 554 K HN 0.474 nan 8.250 nan 0.000 0.529 555 A N 2.765 125.688 122.820 0.172 0.000 2.328 555 A HA 0.413 4.733 4.320 0.000 0.000 0.318 555 A C -0.870 176.765 177.584 0.084 0.000 1.347 555 A CA -0.622 51.509 52.037 0.156 0.000 0.842 555 A CB 0.180 19.319 19.000 0.232 0.000 1.148 555 A HN 0.219 nan 8.150 nan 0.000 0.499 556 D N -0.118 120.310 120.400 0.047 0.000 2.752 556 D HA 0.424 5.064 4.640 0.000 0.000 0.313 556 D C 0.489 176.788 176.300 -0.000 0.000 1.225 556 D CA 0.263 54.274 54.000 0.019 0.000 0.976 556 D CB 0.285 41.096 40.800 0.019 0.000 1.443 556 D HN 0.148 nan 8.370 nan 0.000 0.515 557 T N -2.353 112.221 114.554 0.034 0.000 3.188 557 T HA 0.294 4.644 4.350 0.000 0.000 0.250 557 T C 0.472 175.140 174.700 -0.054 0.000 1.077 557 T CA -0.368 61.754 62.100 0.035 0.000 0.967 557 T CB -0.725 68.213 68.868 0.117 0.000 1.006 557 T HN 0.274 nan 8.240 nan 0.000 0.552 558 V N 2.486 122.263 119.914 -0.229 0.000 2.614 558 V HA 0.348 4.468 4.120 0.000 0.000 0.291 558 V C 0.045 176.089 176.094 -0.083 0.000 1.049 558 V CA -1.090 61.036 62.300 -0.290 0.000 1.038 558 V CB 0.083 31.612 31.823 -0.491 0.000 0.980 558 V HN 0.526 nan 8.190 nan 0.000 0.481 559 F N 6.224 126.083 119.950 -0.153 0.000 2.420 559 F HA 0.583 5.110 4.527 0.000 0.000 0.352 559 F C 0.467 176.219 175.800 -0.081 0.000 1.108 559 F CA -0.197 57.740 58.000 -0.104 0.000 1.162 559 F CB 0.347 39.293 39.000 -0.090 0.000 1.118 559 F HN 0.426 nan 8.300 nan 0.000 0.510 560 R N 6.548 126.573 120.500 -0.791 0.000 2.686 560 R HA 0.525 4.865 4.340 0.000 0.000 0.283 560 R C -1.599 174.297 176.300 -0.675 0.000 0.978 560 R CA -1.025 54.760 56.100 -0.525 0.000 0.897 560 R CB 2.126 32.277 30.300 -0.250 0.000 1.192 560 R HN 0.671 nan 8.270 nan 0.000 0.457 561 L N 4.387 125.400 121.223 -0.350 0.000 2.313 561 L HA 0.385 4.726 4.340 0.000 0.000 0.273 561 L C -0.635 176.269 176.870 0.058 0.000 1.028 561 L CA -0.666 54.043 54.840 -0.217 0.000 0.871 561 L CB 0.428 42.471 42.059 -0.027 0.000 1.242 561 L HN 0.743 nan 8.230 nan 0.000 0.434 562 N N 0.193 118.857 118.700 -0.060 0.000 3.343 562 N HA 0.178 4.918 4.740 0.000 0.000 0.330 562 N C 0.254 175.488 175.510 -0.461 0.000 1.560 562 N CA -0.898 52.033 53.050 -0.197 0.000 0.752 562 N CB 0.198 38.646 38.487 -0.066 0.000 1.863 562 N HN 0.280 nan 8.380 nan 0.000 0.636 563 W N 0.650 121.368 121.300 -0.970 0.000 2.338 563 W HA 0.081 4.741 4.660 0.001 0.000 0.304 563 W C 2.076 178.533 176.519 -0.104 0.000 1.212 563 W CA 2.959 59.954 57.345 -0.583 0.000 1.264 563 W CB -1.055 28.141 29.460 -0.439 0.000 1.142 563 W HN 0.700 nan 8.180 nan 0.000 0.512 564 A N -0.256 122.502 122.820 -0.103 0.000 1.948 564 A HA -0.260 4.060 4.320 0.000 0.000 0.220 564 A C 1.953 179.423 177.584 -0.189 0.000 1.177 564 A CA 2.853 54.774 52.037 -0.193 0.000 0.636 564 A CB -1.389 17.585 19.000 -0.044 0.000 0.815 564 A HN 0.342 nan 8.150 nan 0.000 0.449 565 T N -1.272 113.195 114.554 -0.145 0.000 2.684 565 T HA -0.255 4.095 4.350 0.000 0.000 0.267 565 T C 1.789 176.521 174.700 0.054 0.000 1.036 565 T CA 1.764 63.755 62.100 -0.183 0.000 1.148 565 T CB -0.589 67.996 68.868 -0.473 0.000 0.863 565 T HN 0.708 nan 8.240 nan 0.000 0.436 566 Y N 1.856 122.268 120.300 0.187 0.000 2.181 566 Y HA -0.048 4.502 4.550 0.000 0.000 0.288 566 Y C 2.070 177.971 175.900 0.001 0.000 1.146 566 Y CA 1.011 59.248 58.100 0.229 0.000 1.164 566 Y CB -0.517 38.048 38.460 0.175 0.000 0.982 566 Y HN 0.083 nan 8.280 nan 0.000 0.515 567 L N 0.371 121.186 121.223 -0.679 0.000 2.042 567 L HA -0.239 4.101 4.340 0.000 0.000 0.210 567 L C 2.867 179.485 176.870 -0.419 0.000 1.076 567 L CA 1.322 55.693 54.840 -0.781 0.000 0.749 567 L CB -0.916 40.714 42.059 -0.715 0.000 0.893 567 L HN 0.456 nan 8.230 nan 0.000 0.432 568 A N -1.341 121.314 122.820 -0.275 0.000 1.872 568 A HA -0.178 4.142 4.320 0.000 0.000 0.214 568 A C 2.515 180.030 177.584 -0.114 0.000 1.187 568 A CA 1.760 53.690 52.037 -0.178 0.000 0.614 568 A CB -0.589 18.301 19.000 -0.185 0.000 0.826 568 A HN 0.332 nan 8.150 nan 0.000 0.442 569 S N -1.176 114.478 115.700 -0.077 0.000 2.355 569 S HA -0.110 4.360 4.470 0.000 0.000 0.222 569 S C 1.995 176.617 174.600 0.036 0.000 1.031 569 S CA 2.265 60.471 58.200 0.011 0.000 0.993 569 S CB -0.342 62.929 63.200 0.119 0.000 0.859 569 S HN 0.612 nan 8.310 nan 0.000 0.453 570 T N 1.214 115.765 114.554 -0.006 0.000 2.988 570 T HA 0.170 4.520 4.350 0.000 0.000 0.240 570 T C 1.407 176.084 174.700 -0.037 0.000 1.014 570 T CA 0.472 62.588 62.100 0.027 0.000 1.155 570 T CB -0.184 68.770 68.868 0.145 0.000 0.872 570 T HN 0.281 nan 8.240 nan 0.000 0.440 571 E N 1.439 121.527 120.200 -0.187 0.000 2.489 571 E HA 0.126 4.476 4.350 0.000 0.000 0.193 571 E C -0.089 176.496 176.600 -0.024 0.000 1.057 571 E CA -0.053 56.278 56.400 -0.114 0.000 0.866 571 E CB -0.479 29.090 29.700 -0.218 0.000 0.916 571 E HN 0.540 nan 8.360 nan 0.000 0.500 572 N N 0.562 119.259 118.700 -0.005 0.000 2.727 572 N HA -0.203 4.537 4.740 0.000 0.000 0.249 572 N C -0.867 174.723 175.510 0.134 0.000 1.048 572 N CA 0.255 53.369 53.050 0.107 0.000 0.714 572 N CB -1.246 37.354 38.487 0.189 0.000 0.959 572 N HN 0.208 nan 8.380 nan 0.000 0.544 573 I N 0.890 121.463 120.570 0.007 0.000 2.377 573 I HA 0.337 4.507 4.170 0.000 0.000 0.293 573 I C 0.578 176.659 176.117 -0.061 0.000 0.987 573 I CA -0.787 60.517 61.300 0.007 0.000 1.185 573 I CB 1.221 39.239 38.000 0.030 0.000 1.341 573 I HN 0.048 nan 8.210 nan 0.000 0.455 574 I N 6.728 127.267 120.570 -0.051 0.000 2.441 574 I HA 0.185 4.355 4.170 0.000 0.000 0.287 574 I C -0.140 175.950 176.117 -0.044 0.000 1.049 574 I CA -0.256 60.971 61.300 -0.121 0.000 1.381 574 I CB 1.255 39.176 38.000 -0.131 0.000 1.409 574 I HN 0.274 nan 8.210 nan 0.000 0.523 575 V N 6.961 126.837 119.914 -0.063 0.000 2.444 575 V HA 0.863 4.983 4.120 0.000 0.000 0.294 575 V C -0.275 175.836 176.094 0.027 0.000 1.022 575 V CA -0.083 62.233 62.300 0.027 0.000 0.850 575 V CB 1.304 33.141 31.823 0.024 0.000 0.992 575 V HN 0.831 nan 8.190 nan 0.000 0.426 576 A N 4.815 127.685 122.820 0.084 0.000 2.384 576 A HA 0.984 5.304 4.320 0.000 0.000 0.312 576 A C -0.313 177.420 177.584 0.250 0.000 1.113 576 A CA -0.607 51.473 52.037 0.072 0.000 0.779 576 A CB 2.220 21.090 19.000 -0.217 0.000 1.307 576 A HN 1.007 nan 8.150 nan 0.000 0.436 577 S N -0.452 115.443 115.700 0.326 0.000 2.570 577 S HA 0.769 5.239 4.470 0.000 0.000 0.286 577 S C -1.490 173.465 174.600 0.592 0.000 1.099 577 S CA -0.294 58.150 58.200 0.407 0.000 0.913 577 S CB 1.365 64.746 63.200 0.302 0.000 1.085 577 S HN 0.703 nan 8.310 nan 0.000 0.480 578 F N 1.609 121.789 119.950 0.383 0.000 2.556 578 F HA 0.449 4.976 4.527 -0.000 0.000 0.314 578 F C -1.214 174.775 175.800 0.315 0.000 1.106 578 F CA -0.733 57.506 58.000 0.399 0.000 0.911 578 F CB 1.549 40.741 39.000 0.320 0.000 1.190 578 F HN 0.410 nan 8.300 nan 0.000 0.448 579 D N 4.669 124.941 120.400 -0.213 0.000 2.557 579 D HA 0.277 4.917 4.640 0.000 0.000 0.236 579 D C 0.515 176.729 176.300 -0.144 0.000 1.154 579 D CA 0.126 54.098 54.000 -0.047 0.000 0.985 579 D CB 1.021 41.884 40.800 0.105 0.000 1.010 579 D HN 0.719 nan 8.370 nan 0.000 0.516 580 G N 0.622 109.437 108.800 0.026 0.000 2.494 580 G HA2 0.194 4.154 3.960 0.000 0.000 0.270 580 G HA3 0.194 4.154 3.960 0.000 0.000 0.270 580 G C 0.239 175.268 174.900 0.216 0.000 1.423 580 G CA -0.723 44.458 45.100 0.136 0.000 1.055 580 G HN 0.269 nan 8.290 nan 0.000 0.536 581 R N -0.589 120.013 120.500 0.170 0.000 2.502 581 R HA 0.352 4.692 4.340 0.000 0.000 0.292 581 R C 1.217 177.628 176.300 0.185 0.000 0.998 581 R CA 1.440 57.674 56.100 0.223 0.000 1.056 581 R CB 0.333 30.728 30.300 0.159 0.000 0.939 581 R HN 1.025 nan 8.270 nan 0.000 0.411 582 G N 1.408 110.298 108.800 0.149 0.000 2.238 582 G HA2 -0.307 3.653 3.960 0.000 0.000 0.217 582 G HA3 -0.307 3.653 3.960 0.000 0.000 0.217 582 G C 0.134 175.045 174.900 0.019 0.000 0.996 582 G CA 0.040 45.195 45.100 0.092 0.000 0.632 582 G HN 0.701 nan 8.290 nan 0.000 0.503 583 S N 0.410 116.137 115.700 0.045 0.000 2.600 583 S HA 0.661 5.131 4.470 0.000 0.000 0.265 583 S C 0.917 175.506 174.600 -0.017 0.000 1.325 583 S CA 0.505 58.712 58.200 0.012 0.000 1.002 583 S CB 1.793 65.041 63.200 0.080 0.000 0.921 583 S HN 1.625 nan 8.310 nan 0.000 0.554 584 G N -0.821 107.943 108.800 -0.059 0.000 2.642 584 G HA2 0.495 4.455 3.960 0.000 0.000 0.291 584 G HA3 0.495 4.455 3.960 0.000 0.000 0.291 584 G C -0.855 173.973 174.900 -0.120 0.000 1.345 584 G CA -1.126 43.810 45.100 -0.272 0.000 1.043 584 G HN 0.989 nan 8.290 nan 0.000 0.528 585 Y N -2.181 118.122 120.300 0.005 0.000 4.409 585 Y HA -0.229 4.321 4.550 0.000 0.000 0.228 585 Y C 1.374 177.288 175.900 0.023 0.000 1.108 585 Y CA 1.096 59.209 58.100 0.022 0.000 1.955 585 Y CB -1.873 36.619 38.460 0.054 0.000 1.615 585 Y HN 0.492 nan 8.280 nan 0.000 0.665 586 Q N -0.174 119.649 119.800 0.037 0.000 2.073 586 Q HA 0.462 4.802 4.340 0.000 0.000 0.215 586 Q C 0.826 176.728 176.000 -0.164 0.000 0.776 586 Q CA 0.199 56.030 55.803 0.046 0.000 1.008 586 Q CB 1.860 30.624 28.738 0.043 0.000 1.196 586 Q HN 0.580 nan 8.270 nan 0.000 0.458 587 G N 0.828 109.408 108.800 -0.367 0.000 2.675 587 G HA2 -0.183 3.777 3.960 0.000 0.000 0.686 587 G HA3 -0.183 3.777 3.960 0.000 0.000 0.686 587 G C -0.363 174.156 174.900 -0.635 0.000 1.215 587 G CA -0.454 44.168 45.100 -0.797 0.000 0.777 587 G HN 0.083 nan 8.290 nan 0.000 0.638 588 D N 0.351 120.324 120.400 -0.713 0.000 2.158 588 D HA -0.130 4.510 4.640 0.000 0.000 0.197 588 D C 2.272 178.237 176.300 -0.559 0.000 0.995 588 D CA 1.719 55.218 54.000 -0.836 0.000 0.846 588 D CB -0.022 40.248 40.800 -0.883 0.000 0.941 588 D HN 0.587 nan 8.370 nan 0.000 0.456 589 K N 0.588 120.724 120.400 -0.439 0.000 2.052 589 K HA -0.171 4.149 4.320 0.000 0.000 0.215 589 K C 2.090 178.584 176.600 -0.176 0.000 1.053 589 K CA 1.248 57.375 56.287 -0.267 0.000 0.934 589 K CB -0.424 31.925 32.500 -0.251 0.000 0.717 589 K HN 0.176 nan 8.250 nan 0.000 0.450 590 I N -0.560 119.901 120.570 -0.183 0.000 2.339 590 I HA -0.151 4.020 4.170 0.000 0.000 0.245 590 I C 2.524 178.632 176.117 -0.015 0.000 1.096 590 I CA 0.969 62.237 61.300 -0.053 0.000 1.408 590 I CB -0.114 37.864 38.000 -0.037 0.000 1.092 590 I HN 0.300 nan 8.210 nan 0.000 0.423 591 M N 0.016 119.553 119.600 -0.106 0.000 2.175 591 M HA -0.215 4.266 4.480 0.000 0.000 0.264 591 M C 1.832 178.238 176.300 0.177 0.000 1.063 591 M CA 1.847 57.139 55.300 -0.014 0.000 1.119 591 M CB -0.146 32.363 32.600 -0.151 0.000 1.377 591 M HN 0.228 nan 8.290 nan 0.000 0.415 592 H N -0.416 118.557 119.070 -0.161 0.000 2.539 592 H HA 0.304 4.860 4.556 0.000 0.000 0.267 592 H C 1.819 177.166 175.328 0.031 0.000 0.982 592 H CA 0.579 56.551 56.048 -0.127 0.000 1.146 592 H CB -0.446 29.149 29.762 -0.278 0.000 1.382 592 H HN 0.459 nan 8.280 nan 0.000 0.577 593 A N 1.062 123.973 122.820 0.152 0.000 1.978 593 A HA -0.147 4.173 4.320 0.000 0.000 0.220 593 A C 1.693 179.448 177.584 0.286 0.000 1.170 593 A CA 1.718 53.828 52.037 0.121 0.000 0.636 593 A CB -0.624 18.399 19.000 0.039 0.000 0.810 593 A HN 0.392 nan 8.150 nan 0.000 0.448 594 I N -2.465 118.281 120.570 0.294 0.000 3.914 594 I HA 0.199 4.369 4.170 0.000 0.000 0.333 594 I C 0.308 176.525 176.117 0.167 0.000 1.449 594 I CA -0.728 60.737 61.300 0.275 0.000 1.135 594 I CB -0.889 37.242 38.000 0.218 0.000 1.073 594 I HN 0.217 nan 8.210 nan 0.000 0.401 595 N N 2.867 121.691 118.700 0.206 0.000 2.411 595 N HA -0.037 4.703 4.740 0.000 0.000 0.261 595 N C 0.276 175.814 175.510 0.048 0.000 1.248 595 N CA 0.163 53.316 53.050 0.172 0.000 0.885 595 N CB 0.287 38.862 38.487 0.145 0.000 1.062 595 N HN 0.346 nan 8.380 nan 0.000 0.471 596 R N 0.605 121.101 120.500 -0.006 0.000 4.010 596 R HA -0.160 4.180 4.340 0.000 0.000 0.409 596 R C -0.259 175.917 176.300 -0.206 0.000 1.120 596 R CA 0.890 56.942 56.100 -0.081 0.000 1.244 596 R CB -0.825 29.447 30.300 -0.047 0.000 1.799 596 R HN 0.642 nan 8.270 nan 0.000 0.559 597 R N 0.628 121.017 120.500 -0.186 0.000 2.772 597 R HA 0.220 4.560 4.340 0.000 0.000 0.358 597 R C -0.661 175.604 176.300 -0.059 0.000 1.143 597 R CA -0.625 55.269 56.100 -0.344 0.000 1.153 597 R CB 0.391 30.523 30.300 -0.281 0.000 1.329 597 R HN -0.087 nan 8.270 nan 0.000 0.615 598 L N 0.264 121.495 121.223 0.013 0.000 2.485 598 L HA 0.207 4.547 4.340 0.000 0.000 0.275 598 L C 1.502 178.585 176.870 0.356 0.000 1.207 598 L CA 1.387 56.287 54.840 0.100 0.000 0.855 598 L CB 0.420 42.312 42.059 -0.279 0.000 1.114 598 L HN 0.754 nan 8.230 nan 0.000 0.485 599 G N 1.020 110.080 108.800 0.433 0.000 2.147 599 G HA2 -0.299 3.662 3.960 0.000 0.000 0.244 599 G HA3 -0.299 3.662 3.960 0.000 0.000 0.244 599 G C 0.539 175.531 174.900 0.152 0.000 1.005 599 G CA 0.881 46.196 45.100 0.357 0.000 0.713 599 G HN 0.903 nan 8.290 nan 0.000 0.515 600 T N -3.493 111.106 114.554 0.075 0.000 3.066 600 T HA 0.480 4.830 4.350 0.000 0.000 0.176 600 T C 1.651 176.293 174.700 -0.098 0.000 0.826 600 T CA 0.900 62.914 62.100 -0.143 0.000 1.280 600 T CB -0.049 68.525 68.868 -0.490 0.000 2.214 600 T HN 0.154 nan 8.240 nan 0.000 0.399 601 F N 3.432 123.434 119.950 0.088 0.000 2.126 601 F HA 0.029 4.556 4.527 0.000 0.000 0.299 601 F C 2.853 178.697 175.800 0.073 0.000 1.096 601 F CA 1.445 59.483 58.000 0.064 0.000 1.255 601 F CB -0.681 38.355 39.000 0.061 0.000 0.997 601 F HN 0.522 nan 8.300 nan 0.000 0.479 602 E N 0.902 121.269 120.200 0.278 0.000 2.150 602 E HA -0.131 4.219 4.350 0.000 0.000 0.193 602 E C 2.123 178.838 176.600 0.191 0.000 0.985 602 E CA 1.507 58.048 56.400 0.235 0.000 0.814 602 E CB -1.025 28.824 29.700 0.249 0.000 0.752 602 E HN 0.303 nan 8.360 nan 0.000 0.466 603 V N 1.724 121.726 119.914 0.148 0.000 2.255 603 V HA -0.226 3.894 4.120 0.000 0.000 0.243 603 V C 2.420 178.542 176.094 0.046 0.000 1.038 603 V CA 2.206 64.547 62.300 0.069 0.000 1.008 603 V CB -0.670 31.156 31.823 0.005 0.000 0.645 603 V HN 0.212 nan 8.190 nan 0.000 0.449 604 E N 0.177 120.409 120.200 0.054 0.000 2.097 604 E HA -0.269 4.081 4.350 0.000 0.000 0.196 604 E C 1.931 178.529 176.600 -0.004 0.000 1.000 604 E CA 1.662 58.084 56.400 0.037 0.000 0.804 604 E CB -0.232 29.513 29.700 0.075 0.000 0.740 604 E HN 0.587 nan 8.360 nan 0.000 0.454 605 D N 0.210 120.622 120.400 0.020 0.000 2.178 605 D HA -0.146 4.495 4.640 0.000 0.000 0.201 605 D C 1.940 178.096 176.300 -0.240 0.000 0.980 605 D CA 0.791 54.746 54.000 -0.076 0.000 0.842 605 D CB -0.115 40.733 40.800 0.080 0.000 0.948 605 D HN 0.122 nan 8.370 nan 0.000 0.472 606 Q N -0.048 119.721 119.800 -0.052 0.000 2.119 606 Q HA -0.003 4.337 4.340 0.000 0.000 0.201 606 Q C 2.512 178.501 176.000 -0.017 0.000 0.972 606 Q CA 0.507 56.291 55.803 -0.032 0.000 0.847 606 Q CB -0.024 28.765 28.738 0.084 0.000 0.903 606 Q HN 0.433 nan 8.270 nan 0.000 0.433 607 I N 0.521 121.104 120.570 0.021 0.000 2.353 607 I HA -0.216 3.954 4.170 0.000 0.000 0.248 607 I C 2.316 178.360 176.117 -0.121 0.000 1.119 607 I CA 0.960 62.321 61.300 0.102 0.000 1.417 607 I CB -0.148 37.915 38.000 0.104 0.000 1.078 607 I HN 0.099 nan 8.210 nan 0.000 0.421 608 E N 1.638 121.701 120.200 -0.229 0.000 2.106 608 E HA -0.164 4.186 4.350 0.000 0.000 0.192 608 E C 2.126 178.400 176.600 -0.545 0.000 0.984 608 E CA 1.458 57.665 56.400 -0.322 0.000 0.806 608 E CB -0.164 29.368 29.700 -0.280 0.000 0.750 608 E HN 0.390 nan 8.360 nan 0.000 0.458 609 A N 1.080 123.407 122.820 -0.822 0.000 1.873 609 A HA -0.193 4.127 4.320 0.000 0.000 0.218 609 A C 2.506 179.386 177.584 -1.174 0.000 1.193 609 A CA 2.700 53.978 52.037 -1.264 0.000 0.629 609 A CB -1.323 16.910 19.000 -1.279 0.000 0.826 609 A HN 0.408 nan 8.150 nan 0.000 0.447 610 A N -0.671 121.823 122.820 -0.543 0.000 1.902 610 A HA -0.183 4.137 4.320 0.000 0.000 0.217 610 A C 2.243 179.628 177.584 -0.331 0.000 1.181 610 A CA 1.602 53.466 52.037 -0.289 0.000 0.623 610 A CB -0.518 18.318 19.000 -0.273 0.000 0.818 610 A HN 0.560 nan 8.150 nan 0.000 0.443 611 R N -0.786 119.504 120.500 -0.350 0.000 2.105 611 R HA -0.147 4.193 4.340 0.000 0.000 0.239 611 R C 2.365 178.498 176.300 -0.279 0.000 1.135 611 R CA 1.510 57.445 56.100 -0.275 0.000 0.967 611 R CB -0.263 29.898 30.300 -0.231 0.000 0.861 611 R HN 0.587 nan 8.270 nan 0.000 0.442 612 Q N -0.435 119.123 119.800 -0.404 0.000 2.123 612 Q HA -0.095 4.245 4.340 0.000 0.000 0.199 612 Q C 1.965 177.805 176.000 -0.266 0.000 0.966 612 Q CA 1.221 56.807 55.803 -0.361 0.000 0.845 612 Q CB -0.089 28.374 28.738 -0.459 0.000 0.907 612 Q HN 0.298 nan 8.270 nan 0.000 0.439 613 F N 0.481 120.276 119.950 -0.258 0.000 2.259 613 F HA -0.048 4.479 4.527 0.000 0.000 0.298 613 F C 2.615 178.207 175.800 -0.347 0.000 1.088 613 F CA 0.684 58.506 58.000 -0.297 0.000 1.358 613 F CB -0.972 37.903 39.000 -0.209 0.000 1.040 613 F HN -0.014 nan 8.300 nan 0.000 0.505 614 S N -0.161 115.473 115.700 -0.110 0.000 2.387 614 S HA -0.134 4.336 4.470 0.000 0.000 0.226 614 S C 2.057 176.547 174.600 -0.182 0.000 1.026 614 S CA 0.969 59.074 58.200 -0.158 0.000 0.972 614 S CB -0.166 62.947 63.200 -0.145 0.000 0.814 614 S HN 0.298 nan 8.310 nan 0.000 0.477 615 K N 0.336 120.637 120.400 -0.166 0.000 2.280 615 K HA 0.032 4.352 4.320 0.000 0.000 0.202 615 K C 1.836 178.344 176.600 -0.153 0.000 1.047 615 K CA 1.203 57.408 56.287 -0.138 0.000 0.942 615 K CB -0.175 32.255 32.500 -0.115 0.000 0.739 615 K HN 0.448 nan 8.250 nan 0.000 0.457 616 M N -0.935 118.520 119.600 -0.242 0.000 2.557 616 M HA -0.023 4.457 4.480 0.000 0.000 0.259 616 M C 1.342 177.425 176.300 -0.362 0.000 1.086 616 M CA 1.118 56.235 55.300 -0.306 0.000 1.096 616 M CB 0.301 32.621 32.600 -0.466 0.000 1.424 616 M HN 0.479 nan 8.290 nan 0.000 0.488 617 G N 0.682 109.280 108.800 -0.337 0.000 2.268 617 G HA2 -0.306 3.654 3.960 0.000 0.000 0.240 617 G HA3 -0.306 3.654 3.960 0.000 0.000 0.240 617 G C 0.547 175.404 174.900 -0.071 0.000 1.010 617 G CA 0.322 45.330 45.100 -0.154 0.000 0.618 617 G HN 0.620 nan 8.290 nan 0.000 0.516 618 F N 0.741 120.748 119.950 0.095 0.000 2.664 618 F HA 0.759 5.287 4.527 0.000 0.000 0.301 618 F C 0.212 176.125 175.800 0.188 0.000 1.126 618 F CA -0.831 57.263 58.000 0.156 0.000 1.373 618 F CB 0.287 39.436 39.000 0.248 0.000 1.042 618 F HN 0.066 nan 8.300 nan 0.000 0.535 619 V N 1.468 121.396 119.914 0.023 0.000 2.444 619 V HA 0.150 4.270 4.120 0.000 0.000 0.294 619 V C -0.730 175.356 176.094 -0.014 0.000 1.022 619 V CA -0.820 61.502 62.300 0.037 0.000 0.850 619 V CB 1.492 33.278 31.823 -0.061 0.000 0.992 619 V HN 0.094 nan 8.190 nan 0.000 0.426 620 D N 4.029 124.421 120.400 -0.014 0.000 2.367 620 D HA 0.032 4.672 4.640 0.000 0.000 0.255 620 D C 1.192 177.448 176.300 -0.072 0.000 1.300 620 D CA -0.182 53.784 54.000 -0.057 0.000 0.959 620 D CB 0.476 41.225 40.800 -0.084 0.000 1.064 620 D HN 0.648 nan 8.370 nan 0.000 0.509 621 N N 2.735 121.392 118.700 -0.072 0.000 2.609 621 N HA -0.135 4.605 4.740 0.000 0.000 0.190 621 N C 0.783 176.252 175.510 -0.068 0.000 1.157 621 N CA 0.571 53.570 53.050 -0.086 0.000 0.918 621 N CB -0.070 38.355 38.487 -0.104 0.000 0.978 621 N HN 0.354 nan 8.380 nan 0.000 0.448 622 K N -0.156 120.216 120.400 -0.047 0.000 2.426 622 K HA 0.190 4.510 4.320 0.000 0.000 0.193 622 K C 0.113 176.723 176.600 0.017 0.000 1.028 622 K CA 0.197 56.474 56.287 -0.017 0.000 1.047 622 K CB 0.381 32.872 32.500 -0.015 0.000 0.821 622 K HN 0.162 nan 8.250 nan 0.000 0.513 623 R N 1.161 121.650 120.500 -0.019 0.000 2.674 623 R HA 0.329 4.669 4.340 0.000 0.000 0.270 623 R C -1.049 175.229 176.300 -0.037 0.000 1.492 623 R CA -0.135 55.959 56.100 -0.009 0.000 1.624 623 R CB 0.612 30.762 30.300 -0.250 0.000 1.307 623 R HN -0.008 nan 8.270 nan 0.000 0.683 624 I N 1.059 121.718 120.570 0.149 0.000 2.378 624 I HA 0.551 4.721 4.170 0.000 0.000 0.291 624 I C 0.120 176.539 176.117 0.503 0.000 0.992 624 I CA -0.737 60.699 61.300 0.227 0.000 1.154 624 I CB 1.887 39.881 38.000 -0.011 0.000 1.315 624 I HN 0.255 nan 8.210 nan 0.000 0.448 625 A N 7.085 130.300 122.820 0.658 0.000 2.346 625 A HA 0.915 5.235 4.320 0.000 0.000 0.313 625 A C -1.027 176.898 177.584 0.569 0.000 1.140 625 A CA -0.665 51.723 52.037 0.585 0.000 0.826 625 A CB 1.927 21.152 19.000 0.375 0.000 1.332 625 A HN 0.739 nan 8.150 nan 0.000 0.457 626 I N 0.766 121.570 120.570 0.390 0.000 2.607 626 I HA 0.663 4.833 4.170 0.000 0.000 0.290 626 I C -1.878 174.460 176.117 0.369 0.000 1.129 626 I CA -0.543 60.906 61.300 0.249 0.000 1.042 626 I CB 1.463 39.294 38.000 -0.281 0.000 1.242 626 I HN 0.914 nan 8.210 nan 0.000 0.421 627 W N 7.503 128.918 121.300 0.191 0.000 3.167 627 W HA 0.852 5.512 4.660 0.000 0.000 0.324 627 W C -1.497 175.160 176.519 0.231 0.000 1.230 627 W CA -1.006 56.468 57.345 0.215 0.000 1.184 627 W CB 1.276 30.921 29.460 0.308 0.000 1.414 627 W HN 0.814 nan 8.180 nan 0.000 0.551 628 G N 1.229 109.915 108.800 -0.189 0.000 2.601 628 G HA2 0.436 4.396 3.960 0.000 0.000 0.291 628 G HA3 0.436 4.396 3.960 0.000 0.000 0.291 628 G C -2.684 172.114 174.900 -0.170 0.000 1.456 628 G CA -0.742 44.087 45.100 -0.451 0.000 0.804 628 G HN 0.589 nan 8.290 nan 0.000 0.499 629 W N 0.969 122.079 121.300 -0.316 0.000 2.639 629 W HA 0.568 5.228 4.660 0.000 0.000 0.347 629 W C 0.923 177.383 176.519 -0.098 0.000 1.067 629 W CA 0.614 57.856 57.345 -0.170 0.000 1.218 629 W CB 1.741 31.092 29.460 -0.181 0.000 1.393 629 W HN 1.057 nan 8.180 nan 0.000 0.557 630 S N 1.361 117.243 115.700 0.303 0.000 4.114 630 S HA -0.429 4.041 4.470 0.000 0.000 0.618 630 S C 0.841 175.559 174.600 0.195 0.000 1.937 630 S CA 1.651 60.036 58.200 0.308 0.000 4.228 630 S CB -1.589 61.830 63.200 0.365 0.000 0.216 630 S HN 0.758 nan 8.310 nan 0.000 0.528 631 Y N 2.918 123.301 120.300 0.138 0.000 2.274 631 Y HA -0.004 4.546 4.550 0.000 0.000 0.290 631 Y C 2.454 178.552 175.900 0.330 0.000 1.145 631 Y CA 1.935 60.206 58.100 0.285 0.000 1.203 631 Y CB -0.904 37.838 38.460 0.470 0.000 0.984 631 Y HN 0.556 nan 8.280 nan 0.000 0.533 632 G N -0.760 108.317 108.800 0.463 0.000 2.422 632 G HA2 -0.250 3.710 3.960 0.000 0.000 0.218 632 G HA3 -0.250 3.710 3.960 0.000 0.000 0.218 632 G C 1.838 176.827 174.900 0.149 0.000 1.146 632 G CA 0.751 46.027 45.100 0.293 0.000 0.769 632 G HN 0.556 nan 8.290 nan 0.000 0.547 633 G N -0.257 108.610 108.800 0.111 0.000 2.408 633 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 633 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 633 G C 1.546 176.495 174.900 0.082 0.000 1.150 633 G CA 1.000 46.135 45.100 0.058 0.000 0.776 633 G HN 0.486 nan 8.290 nan 0.000 0.542 634 Y N 1.107 121.366 120.300 -0.069 0.000 2.114 634 Y HA -0.171 4.379 4.550 0.000 0.000 0.284 634 Y C 2.807 178.671 175.900 -0.061 0.000 1.143 634 Y CA 1.911 59.920 58.100 -0.151 0.000 1.135 634 Y CB -0.264 37.971 38.460 -0.375 0.000 0.980 634 Y HN 0.027 nan 8.280 nan 0.000 0.499 635 V N -0.050 119.817 119.914 -0.079 0.000 2.343 635 V HA -0.337 3.783 4.120 0.000 0.000 0.247 635 V C 2.309 178.325 176.094 -0.129 0.000 1.051 635 V CA 2.405 64.637 62.300 -0.113 0.000 1.036 635 V CB -1.131 30.794 31.823 0.170 0.000 0.654 635 V HN 0.527 nan 8.190 nan 0.000 0.451 636 T N -0.011 114.516 114.554 -0.045 0.000 2.720 636 T HA -0.199 4.151 4.350 0.000 0.000 0.268 636 T C 2.123 176.781 174.700 -0.070 0.000 1.037 636 T CA 2.045 64.116 62.100 -0.048 0.000 1.144 636 T CB -0.255 68.653 68.868 0.066 0.000 0.864 636 T HN 0.563 nan 8.240 nan 0.000 0.444 637 S N 1.096 116.786 115.700 -0.017 0.000 2.368 637 S HA -0.004 4.466 4.470 0.000 0.000 0.224 637 S C 2.143 176.664 174.600 -0.132 0.000 1.029 637 S CA 0.886 59.107 58.200 0.036 0.000 0.988 637 S CB -0.273 62.992 63.200 0.108 0.000 0.838 637 S HN 0.316 nan 8.310 nan 0.000 0.462 638 M N 1.089 120.526 119.600 -0.272 0.000 2.117 638 M HA -0.042 4.439 4.480 0.000 0.000 0.262 638 M C 2.237 178.379 176.300 -0.264 0.000 1.065 638 M CA 1.130 56.243 55.300 -0.310 0.000 1.114 638 M CB -1.433 30.887 32.600 -0.466 0.000 1.361 638 M HN 0.181 nan 8.290 nan 0.000 0.408 639 V N 0.557 120.312 119.914 -0.264 0.000 2.307 639 V HA -0.230 3.890 4.120 0.000 0.000 0.245 639 V C 2.480 178.383 176.094 -0.317 0.000 1.045 639 V CA 1.358 63.499 62.300 -0.265 0.000 1.024 639 V CB -0.612 30.989 31.823 -0.370 0.000 0.651 639 V HN 0.411 nan 8.190 nan 0.000 0.449 640 L N 0.375 121.341 121.223 -0.428 0.000 2.362 640 L HA -0.036 4.304 4.340 0.000 0.000 0.219 640 L C 2.238 178.523 176.870 -0.976 0.000 1.134 640 L CA 1.296 55.773 54.840 -0.606 0.000 0.807 640 L CB -0.664 41.008 42.059 -0.644 0.000 0.927 640 L HN 0.483 nan 8.230 nan 0.000 0.447 641 G N -1.320 106.995 108.800 -0.808 0.000 3.088 641 G HA2 -0.093 3.867 3.960 0.000 0.000 0.217 641 G HA3 -0.093 3.867 3.960 0.000 0.000 0.217 641 G C 1.615 176.350 174.900 -0.275 0.000 1.159 641 G CA 0.604 45.349 45.100 -0.592 0.000 0.760 641 G HN 0.433 nan 8.290 nan 0.000 0.550 642 S N -0.304 115.260 115.700 -0.227 0.000 2.461 642 S HA 0.271 4.741 4.470 0.000 0.000 0.228 642 S C 2.015 176.563 174.600 -0.087 0.000 1.005 642 S CA 1.174 59.301 58.200 -0.121 0.000 0.942 642 S CB -0.255 62.895 63.200 -0.084 0.000 0.776 642 S HN 1.407 nan 8.310 nan 0.000 0.514 643 G N 1.157 109.895 108.800 -0.104 0.000 2.143 643 G HA2 -0.337 3.623 3.960 0.000 0.000 0.248 643 G HA3 -0.337 3.623 3.960 0.000 0.000 0.248 643 G C 0.975 175.857 174.900 -0.030 0.000 0.991 643 G CA 0.984 46.044 45.100 -0.065 0.000 0.689 643 G HN 1.316 nan 8.290 nan 0.000 0.522 644 S N -0.675 115.018 115.700 -0.011 0.000 2.423 644 S HA 0.307 4.777 4.470 0.000 0.000 0.231 644 S C 2.525 177.120 174.600 -0.008 0.000 1.014 644 S CA 1.722 59.922 58.200 0.000 0.000 0.965 644 S CB -0.187 63.030 63.200 0.028 0.000 0.785 644 S HN 2.431 nan 8.310 nan 0.000 0.495 645 G N -0.094 108.712 108.800 0.008 0.000 2.176 645 G HA2 -0.288 3.672 3.960 0.000 0.000 0.253 645 G HA3 -0.288 3.672 3.960 0.000 0.000 0.253 645 G C 0.765 175.640 174.900 -0.041 0.000 0.979 645 G CA 0.328 45.424 45.100 -0.006 0.000 0.641 645 G HN 0.658 nan 8.290 nan 0.000 0.530 646 V N -0.263 119.596 119.914 -0.092 0.000 2.453 646 V HA 0.209 4.329 4.120 0.000 0.000 0.247 646 V C 1.328 177.187 176.094 -0.391 0.000 1.048 646 V CA 1.660 63.759 62.300 -0.335 0.000 1.049 646 V CB -0.408 31.036 31.823 -0.632 0.000 0.672 646 V HN 0.319 nan 8.190 nan 0.000 0.457 647 F N -0.199 119.762 119.950 0.019 0.000 2.421 647 F HA 0.392 4.919 4.527 0.000 0.000 0.337 647 F C 1.102 176.942 175.800 0.067 0.000 1.105 647 F CA -0.443 57.595 58.000 0.063 0.000 1.049 647 F CB 1.354 40.392 39.000 0.065 0.000 1.139 647 F HN -0.252 nan 8.300 nan 0.000 0.479 648 K N 1.432 121.997 120.400 0.275 0.000 2.166 648 K HA 0.135 4.455 4.320 0.000 0.000 0.201 648 K C -0.038 176.685 176.600 0.206 0.000 1.052 648 K CA 0.811 57.216 56.287 0.197 0.000 0.969 648 K CB 0.307 32.919 32.500 0.188 0.000 0.761 648 K HN 0.812 nan 8.250 nan 0.000 0.459 649 c N -2.882 115.876 118.600 0.262 0.000 3.320 649 c HA 0.908 5.478 4.570 0.000 0.000 0.335 649 c C -0.254 174.049 174.090 0.355 0.000 1.430 649 c CA -0.445 56.055 56.329 0.285 0.000 1.271 649 c CB 1.112 43.708 42.510 0.143 0.000 1.609 649 c HN 0.370 nan 8.230 nan 0.000 0.457 650 G N -0.184 108.904 108.800 0.480 0.000 2.547 650 G HA2 0.661 4.621 3.960 0.000 0.000 0.291 650 G HA3 0.661 4.621 3.960 0.000 0.000 0.291 650 G C -2.153 172.995 174.900 0.413 0.000 1.471 650 G CA -0.658 44.701 45.100 0.432 0.000 0.798 650 G HN 1.053 nan 8.290 nan 0.000 0.504 651 I N 0.949 121.716 120.570 0.329 0.000 2.468 651 I HA 0.573 4.743 4.170 0.000 0.000 0.285 651 I C 0.293 176.515 176.117 0.175 0.000 1.039 651 I CA -0.870 60.505 61.300 0.126 0.000 1.074 651 I CB 2.128 40.198 38.000 0.116 0.000 1.228 651 I HN 0.675 nan 8.210 nan 0.000 0.436 652 A N 6.743 129.579 122.820 0.026 0.000 2.249 652 A HA 0.727 5.047 4.320 0.000 0.000 0.314 652 A C -0.475 177.014 177.584 -0.159 0.000 1.290 652 A CA -0.458 51.593 52.037 0.022 0.000 0.893 652 A CB 0.715 19.795 19.000 0.134 0.000 1.165 652 A HN 0.457 nan 8.150 nan 0.000 0.530 653 V N 2.464 122.230 119.914 -0.248 0.000 2.347 653 V HA 0.530 4.651 4.120 0.000 0.000 0.280 653 V C 0.948 176.621 176.094 -0.701 0.000 1.021 653 V CA 0.345 62.267 62.300 -0.629 0.000 0.847 653 V CB 0.483 31.619 31.823 -1.145 0.000 0.990 653 V HN 1.993 nan 8.190 nan 0.000 0.444 654 A N 5.857 128.268 122.820 -0.682 0.000 2.466 654 A HA -0.102 4.218 4.320 0.000 0.000 0.295 654 A C -1.828 175.619 177.584 -0.230 0.000 1.465 654 A CA 0.337 51.921 52.037 -0.755 0.000 0.744 654 A CB -1.512 17.148 19.000 -0.566 0.000 1.098 654 A HN 0.620 nan 8.150 nan 0.000 0.402 655 P HA 0.450 nan 4.420 nan 0.000 0.281 655 P C 0.219 177.487 177.300 -0.052 0.000 1.249 655 P CA -0.270 62.812 63.100 -0.031 0.000 0.810 655 P CB 1.298 33.005 31.700 0.013 0.000 1.008 656 V N 2.239 122.023 119.914 -0.217 0.000 2.715 656 V HA 0.057 4.177 4.120 0.000 0.000 0.299 656 V C 1.750 177.695 176.094 -0.249 0.000 1.054 656 V CA 1.007 63.039 62.300 -0.445 0.000 1.077 656 V CB 0.587 31.694 31.823 -1.194 0.000 0.972 656 V HN 0.828 nan 8.190 nan 0.000 0.484 657 S N 3.377 118.962 115.700 -0.192 0.000 2.549 657 S HA 0.312 4.782 4.470 0.000 0.000 0.225 657 S C 0.522 175.025 174.600 -0.162 0.000 1.039 657 S CA -0.368 57.792 58.200 -0.067 0.000 0.942 657 S CB 0.351 63.561 63.200 0.017 0.000 0.881 657 S HN 0.716 nan 8.310 nan 0.000 0.503 658 R N -0.771 119.507 120.500 -0.369 0.000 2.572 658 R HA 0.243 4.583 4.340 0.000 0.000 0.273 658 R C -1.251 174.780 176.300 -0.448 0.000 1.168 658 R CA -0.585 55.255 56.100 -0.434 0.000 1.021 658 R CB 0.292 30.205 30.300 -0.646 0.000 1.249 658 R HN 0.266 nan 8.270 nan 0.000 0.423 659 W N 2.153 123.393 121.300 -0.101 0.000 2.468 659 W HA -0.063 4.597 4.660 0.000 0.000 0.262 659 W C 1.369 178.028 176.519 0.233 0.000 1.241 659 W CA 0.575 57.940 57.345 0.034 0.000 1.232 659 W CB 0.347 29.745 29.460 -0.104 0.000 1.124 659 W HN 0.718 nan 8.180 nan 0.000 0.597 660 E N -0.955 119.413 120.200 0.280 0.000 2.204 660 E HA -0.214 4.136 4.350 0.000 0.000 0.195 660 E C 1.543 178.263 176.600 0.201 0.000 0.990 660 E CA 1.261 57.751 56.400 0.151 0.000 0.821 660 E CB -0.476 29.188 29.700 -0.060 0.000 0.750 660 E HN 0.343 nan 8.360 nan 0.000 0.477 661 Y N -1.219 119.174 120.300 0.156 0.000 2.373 661 Y HA -0.004 4.546 4.550 0.000 0.000 0.293 661 Y C 0.945 176.948 175.900 0.171 0.000 1.129 661 Y CA -0.107 58.059 58.100 0.110 0.000 1.226 661 Y CB -0.722 37.752 38.460 0.023 0.000 1.000 661 Y HN 0.044 nan 8.280 nan 0.000 0.549 662 Y N 2.085 122.531 120.300 0.243 0.000 2.295 662 Y HA 0.228 4.778 4.550 0.000 0.000 0.331 662 Y C 0.379 176.481 175.900 0.337 0.000 1.311 662 Y CA -1.916 56.329 58.100 0.241 0.000 1.430 662 Y CB 0.235 38.851 38.460 0.260 0.000 1.339 662 Y HN 0.211 nan 8.280 nan 0.000 0.552 663 D N -0.369 119.737 120.400 -0.489 0.000 2.399 663 D HA 0.101 4.741 4.640 0.000 0.000 0.241 663 D C 0.939 177.213 176.300 -0.044 0.000 1.133 663 D CA 0.338 54.136 54.000 -0.336 0.000 0.890 663 D CB 1.002 41.390 40.800 -0.686 0.000 1.201 663 D HN 0.500 nan 8.370 nan 0.000 0.432 664 S N 1.634 117.320 115.700 -0.022 0.000 2.353 664 S HA -0.255 4.215 4.470 0.000 0.000 0.222 664 S C 1.937 176.560 174.600 0.037 0.000 1.035 664 S CA 1.288 59.525 58.200 0.061 0.000 1.025 664 S CB -1.087 62.152 63.200 0.066 0.000 0.902 664 S HN 0.443 nan 8.310 nan 0.000 0.440 665 V N 0.935 120.815 119.914 -0.056 0.000 2.282 665 V HA -0.208 3.912 4.120 0.000 0.000 0.249 665 V C 2.312 178.328 176.094 -0.130 0.000 1.057 665 V CA 2.376 64.559 62.300 -0.195 0.000 1.032 665 V CB -1.131 30.438 31.823 -0.423 0.000 0.645 665 V HN 0.601 nan 8.190 nan 0.000 0.447 666 Y N 1.286 121.534 120.300 -0.087 0.000 2.109 666 Y HA -0.227 4.323 4.550 0.000 0.000 0.285 666 Y C 2.774 178.698 175.900 0.041 0.000 1.131 666 Y CA 2.354 60.486 58.100 0.054 0.000 1.121 666 Y CB -0.685 37.994 38.460 0.365 0.000 0.987 666 Y HN 0.224 nan 8.280 nan 0.000 0.495 667 T N 0.431 115.183 114.554 0.329 0.000 2.652 667 T HA -0.232 4.118 4.350 0.000 0.000 0.267 667 T C 1.589 176.248 174.700 -0.068 0.000 1.039 667 T CA 2.055 64.278 62.100 0.205 0.000 1.153 667 T CB -0.375 68.775 68.868 0.470 0.000 0.863 667 T HN 0.448 nan 8.240 nan 0.000 0.428 668 E N 0.528 120.716 120.200 -0.020 0.000 2.150 668 E HA -0.093 4.257 4.350 0.000 0.000 0.193 668 E C 2.379 178.852 176.600 -0.212 0.000 0.985 668 E CA 0.482 56.863 56.400 -0.032 0.000 0.814 668 E CB -0.155 29.574 29.700 0.049 0.000 0.752 668 E HN 0.328 nan 8.360 nan 0.000 0.466 669 R N 0.143 120.372 120.500 -0.453 0.000 2.117 669 R HA -0.214 4.126 4.340 0.000 0.000 0.243 669 R C 1.175 176.922 176.300 -0.921 0.000 1.143 669 R CA 1.677 57.315 56.100 -0.771 0.000 0.968 669 R CB -0.011 29.530 30.300 -1.266 0.000 0.863 669 R HN 0.282 nan 8.270 nan 0.000 0.444 670 Y N -2.475 117.517 120.300 -0.514 0.000 2.535 670 Y HA 0.208 4.758 4.550 0.000 0.000 0.266 670 Y C 1.888 177.591 175.900 -0.329 0.000 1.088 670 Y CA -0.058 57.734 58.100 -0.514 0.000 1.285 670 Y CB 0.328 38.356 38.460 -0.719 0.000 1.166 670 Y HN -0.068 nan 8.280 nan 0.000 0.525 671 M N -0.626 118.854 119.600 -0.200 0.000 2.571 671 M HA 0.373 4.854 4.480 0.000 0.000 0.259 671 M C 1.098 177.392 176.300 -0.011 0.000 1.205 671 M CA 1.024 56.204 55.300 -0.200 0.000 1.138 671 M CB -0.273 32.041 32.600 -0.478 0.000 1.329 671 M HN 0.330 nan 8.290 nan 0.000 0.503 672 G N 1.552 110.369 108.800 0.028 0.000 2.681 672 G HA2 -0.169 3.791 3.960 0.000 0.000 0.220 672 G HA3 -0.169 3.791 3.960 0.000 0.000 0.220 672 G C -0.602 174.428 174.900 0.218 0.000 1.353 672 G CA -0.936 44.223 45.100 0.099 0.000 0.872 672 G HN 0.183 nan 8.290 nan 0.000 0.557 673 L N 1.727 123.043 121.223 0.155 0.000 2.436 673 L HA 0.389 4.729 4.340 0.000 0.000 0.265 673 L C -1.000 175.898 176.870 0.046 0.000 1.168 673 L CA -1.312 53.585 54.840 0.095 0.000 0.815 673 L CB 0.637 42.716 42.059 0.034 0.000 1.109 673 L HN 0.489 nan 8.230 nan 0.000 0.462 674 P HA 0.060 nan 4.420 nan 0.000 0.236 674 P C -0.024 177.150 177.300 -0.209 0.000 1.709 674 P CA -0.203 62.551 63.100 -0.576 0.000 0.942 674 P CB -0.419 30.628 31.700 -1.089 0.000 1.615 675 T N -3.358 111.150 114.554 -0.077 0.000 2.913 675 T HA 0.331 4.681 4.350 0.000 0.000 0.287 675 T C -1.830 172.871 174.700 0.001 0.000 1.008 675 T CA -2.110 59.969 62.100 -0.034 0.000 1.067 675 T CB 0.966 69.825 68.868 -0.016 0.000 0.996 675 T HN -0.234 nan 8.240 nan 0.000 0.513 676 P HA -0.139 nan 4.420 nan 0.000 0.217 676 P C 1.348 178.664 177.300 0.027 0.000 1.148 676 P CA 0.973 64.085 63.100 0.019 0.000 0.828 676 P CB 0.065 31.772 31.700 0.012 0.000 0.783 677 E N -1.645 118.567 120.200 0.021 0.000 2.465 677 E HA -0.018 4.332 4.350 0.000 0.000 0.191 677 E C 0.675 177.293 176.600 0.030 0.000 1.053 677 E CA 0.508 56.921 56.400 0.022 0.000 0.869 677 E CB -0.236 29.472 29.700 0.014 0.000 0.977 677 E HN 0.215 nan 8.360 nan 0.000 0.483 678 D N 0.945 121.371 120.400 0.042 0.000 3.040 678 D HA 0.041 4.681 4.640 0.000 0.000 0.221 678 D C 0.291 176.645 176.300 0.091 0.000 1.515 678 D CA 0.170 54.206 54.000 0.059 0.000 1.379 678 D CB 0.098 40.934 40.800 0.061 0.000 0.992 678 D HN 0.075 nan 8.370 nan 0.000 0.234 679 N N -0.113 118.672 118.700 0.142 0.000 2.286 679 N HA 0.061 4.801 4.740 0.000 0.000 0.245 679 N C 0.827 176.541 175.510 0.339 0.000 1.363 679 N CA -0.049 53.131 53.050 0.216 0.000 0.822 679 N CB 0.180 38.800 38.487 0.222 0.000 1.345 679 N HN 0.093 nan 8.380 nan 0.000 0.494 680 L N 0.427 121.770 121.223 0.199 0.000 2.129 680 L HA -0.099 4.241 4.340 0.000 0.000 0.212 680 L C 1.328 178.316 176.870 0.196 0.000 1.087 680 L CA 1.940 56.869 54.840 0.149 0.000 0.757 680 L CB -0.281 41.797 42.059 0.031 0.000 0.896 680 L HN 0.120 nan 8.230 nan 0.000 0.434 681 D N -1.161 119.338 120.400 0.166 0.000 2.087 681 D HA -0.265 4.375 4.640 0.000 0.000 0.192 681 D C 2.075 178.478 176.300 0.172 0.000 0.993 681 D CA 1.895 55.980 54.000 0.142 0.000 0.828 681 D CB -0.184 40.687 40.800 0.119 0.000 0.968 681 D HN 0.567 nan 8.370 nan 0.000 0.448 682 H N -1.008 118.126 119.070 0.106 0.000 2.428 682 H HA -0.064 4.492 4.556 0.000 0.000 0.296 682 H C 1.725 177.107 175.328 0.091 0.000 1.062 682 H CA 1.154 57.239 56.048 0.063 0.000 1.350 682 H CB -0.259 29.503 29.762 0.001 0.000 1.403 682 H HN 0.163 nan 8.280 nan 0.000 0.533 683 Y N 0.516 120.856 120.300 0.067 0.000 2.151 683 Y HA -0.259 4.291 4.550 0.000 0.000 0.284 683 Y C 2.627 178.522 175.900 -0.009 0.000 1.166 683 Y CA 1.924 60.057 58.100 0.055 0.000 1.163 683 Y CB -0.044 38.457 38.460 0.067 0.000 0.974 683 Y HN 0.171 nan 8.280 nan 0.000 0.511 684 R N -0.324 120.262 120.500 0.143 0.000 2.090 684 R HA -0.107 4.233 4.340 0.000 0.000 0.228 684 R C 1.777 178.069 176.300 -0.013 0.000 1.110 684 R CA 1.271 57.402 56.100 0.052 0.000 0.973 684 R CB -0.344 29.985 30.300 0.049 0.000 0.869 684 R HN 0.466 nan 8.270 nan 0.000 0.440 685 N N 0.488 119.145 118.700 -0.072 0.000 2.459 685 N HA -0.068 4.672 4.740 0.000 0.000 0.181 685 N C 0.827 176.232 175.510 -0.175 0.000 1.046 685 N CA 1.155 54.135 53.050 -0.117 0.000 0.904 685 N CB 0.232 38.662 38.487 -0.095 0.000 0.964 685 N HN 0.182 nan 8.380 nan 0.000 0.444 686 S N -0.275 115.296 115.700 -0.215 0.000 2.575 686 S HA 0.034 4.505 4.470 0.000 0.000 0.237 686 S C 0.693 175.355 174.600 0.104 0.000 0.975 686 S CA -0.706 57.443 58.200 -0.085 0.000 0.960 686 S CB -0.082 63.041 63.200 -0.128 0.000 0.822 686 S HN 0.167 nan 8.310 nan 0.000 0.472 687 T N -0.661 113.909 114.554 0.027 0.000 2.904 687 T HA 0.433 4.783 4.350 0.000 0.000 0.290 687 T C 1.405 176.113 174.700 0.012 0.000 1.018 687 T CA -0.145 61.965 62.100 0.017 0.000 1.075 687 T CB 1.461 70.306 68.868 -0.038 0.000 0.986 687 T HN 0.481 nan 8.240 nan 0.000 0.523 688 V N 1.763 121.682 119.914 0.009 0.000 2.719 688 V HA 0.007 4.127 4.120 0.000 0.000 0.252 688 V C 2.188 178.268 176.094 -0.023 0.000 1.065 688 V CA 1.145 63.437 62.300 -0.013 0.000 1.086 688 V CB -1.125 30.685 31.823 -0.022 0.000 0.700 688 V HN 0.823 nan 8.190 nan 0.000 0.467 689 M N 2.509 122.083 119.600 -0.042 0.000 2.108 689 M HA -0.129 4.351 4.480 0.000 0.000 0.261 689 M C 2.543 178.827 176.300 -0.026 0.000 1.066 689 M CA 2.523 57.791 55.300 -0.053 0.000 1.107 689 M CB -1.047 31.532 32.600 -0.035 0.000 1.356 689 M HN 0.748 nan 8.290 nan 0.000 0.406 690 S N 0.215 115.907 115.700 -0.013 0.000 2.374 690 S HA -0.193 4.277 4.470 0.000 0.000 0.227 690 S C 1.937 176.543 174.600 0.010 0.000 1.037 690 S CA 1.244 59.441 58.200 -0.004 0.000 1.024 690 S CB -0.729 62.466 63.200 -0.008 0.000 0.861 690 S HN 0.533 nan 8.310 nan 0.000 0.456 691 R N 1.387 121.901 120.500 0.023 0.000 2.323 691 R HA 0.346 4.686 4.340 0.000 0.000 0.198 691 R C 2.428 178.813 176.300 0.141 0.000 0.988 691 R CA 0.465 56.596 56.100 0.051 0.000 1.041 691 R CB -0.604 29.712 30.300 0.026 0.000 0.926 691 R HN 0.558 nan 8.270 nan 0.000 0.476 692 A N 1.889 124.769 122.820 0.099 0.000 1.896 692 A HA -0.330 3.990 4.320 0.000 0.000 0.220 692 A C 2.059 179.739 177.584 0.161 0.000 1.206 692 A CA 2.087 54.170 52.037 0.076 0.000 0.647 692 A CB -0.446 18.521 19.000 -0.055 0.000 0.828 692 A HN 0.301 nan 8.150 nan 0.000 0.455 693 E N 0.593 120.848 120.200 0.092 0.000 2.147 693 E HA -0.208 4.142 4.350 0.000 0.000 0.199 693 E C 1.549 178.203 176.600 0.092 0.000 1.005 693 E CA 1.809 58.256 56.400 0.078 0.000 0.810 693 E CB -0.321 29.405 29.700 0.044 0.000 0.736 693 E HN 0.641 nan 8.360 nan 0.000 0.460 694 N N -0.632 118.117 118.700 0.082 0.000 2.515 694 N HA -0.081 4.660 4.740 0.000 0.000 0.185 694 N C 0.676 176.158 175.510 -0.046 0.000 1.109 694 N CA 0.418 53.465 53.050 -0.004 0.000 0.903 694 N CB -0.158 38.277 38.487 -0.086 0.000 0.969 694 N HN 0.234 nan 8.380 nan 0.000 0.450 695 F N 1.464 121.370 119.950 -0.074 0.000 2.699 695 F HA 0.073 4.601 4.527 0.000 0.000 0.298 695 F C 1.956 177.761 175.800 0.009 0.000 1.154 695 F CA 0.526 58.479 58.000 -0.079 0.000 1.457 695 F CB 0.104 39.008 39.000 -0.161 0.000 1.106 695 F HN -0.081 nan 8.300 nan 0.000 0.585 696 K N -0.080 120.417 120.400 0.161 0.000 2.280 696 K HA -0.169 4.151 4.320 0.000 0.000 0.202 696 K C 1.591 178.247 176.600 0.094 0.000 1.047 696 K CA 1.040 57.402 56.287 0.126 0.000 0.942 696 K CB -0.157 32.398 32.500 0.092 0.000 0.739 696 K HN 0.429 nan 8.250 nan 0.000 0.457 697 Q N 0.295 120.130 119.800 0.058 0.000 2.424 697 Q HA 0.020 4.360 4.340 0.000 0.000 0.204 697 Q C 0.558 176.595 176.000 0.061 0.000 0.933 697 Q CA 0.172 56.001 55.803 0.043 0.000 0.929 697 Q CB 0.616 29.359 28.738 0.009 0.000 1.037 697 Q HN 0.138 nan 8.270 nan 0.000 0.511 698 V N -2.583 117.381 119.914 0.082 0.000 3.113 698 V HA 0.495 4.615 4.120 0.000 0.000 0.316 698 V C -0.989 175.244 176.094 0.230 0.000 1.125 698 V CA -1.207 61.168 62.300 0.125 0.000 1.026 698 V CB 2.216 34.065 31.823 0.043 0.000 1.080 698 V HN -0.073 nan 8.190 nan 0.000 0.444 699 E N 1.379 121.745 120.200 0.277 0.000 2.109 699 E HA 0.453 4.803 4.350 0.000 0.000 0.278 699 E C -1.846 175.130 176.600 0.627 0.000 0.954 699 E CA -0.355 56.280 56.400 0.392 0.000 0.779 699 E CB 1.529 31.375 29.700 0.243 0.000 1.093 699 E HN 0.673 nan 8.360 nan 0.000 0.401 700 Y N 3.555 124.129 120.300 0.457 0.000 2.393 700 Y HA 0.493 5.043 4.550 0.000 0.000 0.341 700 Y C -1.544 174.443 175.900 0.145 0.000 0.988 700 Y CA -1.568 56.744 58.100 0.353 0.000 1.078 700 Y CB 1.007 39.698 38.460 0.385 0.000 1.203 700 Y HN 0.400 nan 8.280 nan 0.000 0.453 701 L N 7.553 128.511 121.223 -0.443 0.000 2.343 701 L HA 0.555 4.896 4.340 0.000 0.000 0.278 701 L C -2.113 174.304 176.870 -0.754 0.000 0.996 701 L CA -0.771 53.629 54.840 -0.734 0.000 0.831 701 L CB 1.247 42.553 42.059 -1.255 0.000 1.232 701 L HN 0.619 nan 8.230 nan 0.000 0.413 702 L N 6.653 127.505 121.223 -0.618 0.000 2.287 702 L HA 0.667 5.007 4.340 0.000 0.000 0.287 702 L C -1.041 175.697 176.870 -0.221 0.000 1.022 702 L CA -0.001 54.540 54.840 -0.497 0.000 0.814 702 L CB 1.125 42.899 42.059 -0.475 0.000 1.217 702 L HN 0.550 nan 8.230 nan 0.000 0.420 703 I N 4.590 125.042 120.570 -0.198 0.000 2.498 703 I HA 0.424 4.594 4.170 0.000 0.000 0.290 703 I C -1.129 174.954 176.117 -0.057 0.000 1.032 703 I CA -0.679 60.557 61.300 -0.107 0.000 1.073 703 I CB 1.906 39.801 38.000 -0.175 0.000 1.251 703 I HN 0.662 nan 8.210 nan 0.000 0.426 704 H N 2.476 121.595 119.070 0.082 0.000 3.038 704 H HA 0.518 5.074 4.556 0.000 0.000 0.362 704 H C -0.251 175.305 175.328 0.379 0.000 1.167 704 H CA -0.552 55.599 56.048 0.171 0.000 1.197 704 H CB 2.159 31.985 29.762 0.106 0.000 1.840 704 H HN 0.731 nan 8.280 nan 0.000 0.540 705 G N 0.809 109.948 108.800 0.565 0.000 2.390 705 G HA2 0.212 4.172 3.960 0.000 0.000 0.270 705 G HA3 0.212 4.172 3.960 0.000 0.000 0.270 705 G C 1.043 176.245 174.900 0.503 0.000 1.211 705 G CA 0.099 45.500 45.100 0.501 0.000 0.842 705 G HN 0.750 nan 8.290 nan 0.000 0.519 706 T N -0.675 114.050 114.554 0.286 0.000 3.055 706 T HA 0.139 4.489 4.350 0.000 0.000 0.265 706 T C 1.609 176.340 174.700 0.052 0.000 1.111 706 T CA 1.077 63.182 62.100 0.008 0.000 1.118 706 T CB 0.266 69.037 68.868 -0.162 0.000 0.909 706 T HN 0.661 nan 8.240 nan 0.000 0.501 707 A N 1.062 123.978 122.820 0.160 0.000 2.708 707 A HA 0.326 4.646 4.320 0.000 0.000 0.293 707 A C 0.291 177.874 177.584 -0.001 0.000 1.303 707 A CA -0.537 51.583 52.037 0.138 0.000 0.949 707 A CB -0.242 19.087 19.000 0.549 0.000 1.121 707 A HN 0.318 nan 8.150 nan 0.000 0.542 708 D N 1.594 121.997 120.400 0.006 0.000 2.342 708 D HA 0.002 4.642 4.640 0.000 0.000 0.260 708 D C 0.494 176.759 176.300 -0.059 0.000 1.278 708 D CA 0.120 54.207 54.000 0.144 0.000 0.910 708 D CB 0.672 41.704 40.800 0.388 0.000 1.079 708 D HN 0.575 nan 8.370 nan 0.000 0.496 709 D N 2.241 122.658 120.400 0.028 0.000 2.277 709 D HA -0.135 4.505 4.640 0.000 0.000 0.208 709 D C 1.117 177.414 176.300 -0.006 0.000 0.962 709 D CA 0.290 54.250 54.000 -0.067 0.000 0.865 709 D CB 0.199 40.903 40.800 -0.159 0.000 0.939 709 D HN 0.411 nan 8.370 nan 0.000 0.510 710 N N 0.117 118.929 118.700 0.187 0.000 2.187 710 N HA -0.048 4.692 4.740 0.000 0.000 0.190 710 N C -0.125 175.356 175.510 -0.049 0.000 1.052 710 N CA 0.490 53.689 53.050 0.250 0.000 0.863 710 N CB 0.554 39.131 38.487 0.149 0.000 1.041 710 N HN -0.152 nan 8.380 nan 0.000 0.447 711 V N 2.140 122.020 119.914 -0.057 0.000 2.304 711 V HA 0.185 4.305 4.120 0.000 0.000 0.269 711 V C -0.872 175.285 176.094 0.105 0.000 1.036 711 V CA -0.332 61.965 62.300 -0.004 0.000 0.840 711 V CB 0.122 31.983 31.823 0.062 0.000 1.036 711 V HN 0.343 nan 8.190 nan 0.000 0.466 712 H N 3.402 122.451 119.070 -0.035 0.000 2.897 712 H HA -0.009 4.547 4.556 0.000 0.000 0.347 712 H C 0.798 175.961 175.328 -0.275 0.000 1.068 712 H CA -0.076 55.862 56.048 -0.184 0.000 1.426 712 H CB 0.739 30.314 29.762 -0.311 0.000 1.410 712 H HN 0.647 nan 8.280 nan 0.000 0.597 713 F N 2.125 121.872 119.950 -0.337 0.000 2.225 713 F HA -0.311 4.216 4.527 0.000 0.000 0.302 713 F C 2.540 178.070 175.800 -0.450 0.000 1.068 713 F CA 1.706 59.337 58.000 -0.615 0.000 1.327 713 F CB -0.187 38.628 39.000 -0.310 0.000 1.043 713 F HN 0.665 nan 8.300 nan 0.000 0.506 714 Q N 0.214 119.865 119.800 -0.249 0.000 2.118 714 Q HA -0.332 4.008 4.340 0.000 0.000 0.211 714 Q C 2.129 177.865 176.000 -0.441 0.000 0.998 714 Q CA 2.505 58.107 55.803 -0.335 0.000 0.872 714 Q CB -0.348 28.169 28.738 -0.369 0.000 0.925 714 Q HN 0.604 nan 8.270 nan 0.000 0.414 715 Q N -0.549 119.028 119.800 -0.371 0.000 2.084 715 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 715 Q C 2.210 178.089 176.000 -0.202 0.000 0.978 715 Q CA 1.691 57.389 55.803 -0.175 0.000 0.844 715 Q CB -0.042 28.690 28.738 -0.010 0.000 0.898 715 Q HN 0.314 nan 8.270 nan 0.000 0.426 716 S N 0.519 115.985 115.700 -0.390 0.000 2.446 716 S HA 0.034 4.504 4.470 0.000 0.000 0.225 716 S C 2.012 176.348 174.600 -0.439 0.000 1.016 716 S CA 0.599 58.582 58.200 -0.362 0.000 0.943 716 S CB -0.011 62.994 63.200 -0.325 0.000 0.786 716 S HN 0.448 nan 8.310 nan 0.000 0.508 717 A N 1.678 124.139 122.820 -0.598 0.000 1.902 717 A HA -0.147 4.173 4.320 0.000 0.000 0.217 717 A C 2.125 179.597 177.584 -0.186 0.000 1.181 717 A CA 1.194 53.018 52.037 -0.355 0.000 0.623 717 A CB -0.477 18.368 19.000 -0.257 0.000 0.818 717 A HN 0.354 nan 8.150 nan 0.000 0.443 718 Q N -0.392 119.303 119.800 -0.175 0.000 2.167 718 Q HA -0.056 4.284 4.340 0.000 0.000 0.202 718 Q C 2.114 178.062 176.000 -0.088 0.000 0.970 718 Q CA 1.127 56.886 55.803 -0.074 0.000 0.855 718 Q CB -0.373 28.389 28.738 0.041 0.000 0.911 718 Q HN 0.801 nan 8.270 nan 0.000 0.438 719 I N 0.972 121.458 120.570 -0.139 0.000 2.163 719 I HA -0.273 3.897 4.170 0.000 0.000 0.240 719 I C 2.560 178.507 176.117 -0.283 0.000 1.081 719 I CA 1.411 62.587 61.300 -0.206 0.000 1.353 719 I CB -0.548 37.330 38.000 -0.204 0.000 1.054 719 I HN 0.174 nan 8.210 nan 0.000 0.407 720 S N 1.170 116.723 115.700 -0.244 0.000 2.359 720 S HA -0.307 4.163 4.470 0.000 0.000 0.224 720 S C 2.026 176.608 174.600 -0.030 0.000 1.035 720 S CA 1.685 59.786 58.200 -0.165 0.000 1.018 720 S CB -0.561 62.720 63.200 0.134 0.000 0.876 720 S HN 0.383 nan 8.310 nan 0.000 0.448 721 K N 1.953 122.335 120.400 -0.029 0.000 2.032 721 K HA -0.053 4.268 4.320 0.000 0.000 0.209 721 K C 2.324 178.910 176.600 -0.022 0.000 1.048 721 K CA 1.314 57.600 56.287 -0.002 0.000 0.927 721 K CB -0.808 31.686 32.500 -0.010 0.000 0.712 721 K HN 0.433 nan 8.250 nan 0.000 0.441 722 A N 1.039 123.816 122.820 -0.072 0.000 1.908 722 A HA -0.154 4.166 4.320 0.000 0.000 0.218 722 A C 2.127 179.654 177.584 -0.094 0.000 1.181 722 A CA 1.654 53.641 52.037 -0.083 0.000 0.627 722 A CB -0.657 18.274 19.000 -0.116 0.000 0.818 722 A HN 0.359 nan 8.150 nan 0.000 0.445 723 L N -0.887 120.237 121.223 -0.166 0.000 2.109 723 L HA -0.099 4.241 4.340 0.000 0.000 0.207 723 L C 2.472 179.384 176.870 0.070 0.000 1.086 723 L CA 0.653 55.414 54.840 -0.131 0.000 0.760 723 L CB -0.476 41.343 42.059 -0.400 0.000 0.910 723 L HN 0.227 nan 8.230 nan 0.000 0.437 724 V N -0.138 119.852 119.914 0.126 0.000 2.343 724 V HA -0.278 3.842 4.120 0.000 0.000 0.247 724 V C 2.006 178.147 176.094 0.078 0.000 1.051 724 V CA 1.861 64.249 62.300 0.146 0.000 1.036 724 V CB -0.476 31.432 31.823 0.141 0.000 0.654 724 V HN 0.421 nan 8.190 nan 0.000 0.451 725 D N 0.302 120.730 120.400 0.045 0.000 2.218 725 D HA -0.099 4.541 4.640 0.000 0.000 0.204 725 D C 1.745 178.063 176.300 0.031 0.000 0.976 725 D CA 1.625 55.643 54.000 0.031 0.000 0.853 725 D CB -0.068 40.742 40.800 0.017 0.000 0.939 725 D HN 0.561 nan 8.370 nan 0.000 0.481 726 V N -3.681 116.254 119.914 0.034 0.000 3.444 726 V HA 0.507 4.627 4.120 0.000 0.000 0.308 726 V C 1.253 177.381 176.094 0.056 0.000 1.371 726 V CA 0.264 62.587 62.300 0.039 0.000 1.141 726 V CB -0.076 31.767 31.823 0.034 0.000 1.037 726 V HN 0.139 nan 8.190 nan 0.000 0.433 727 G N 0.485 109.326 108.800 0.069 0.000 2.198 727 G HA2 -0.198 3.762 3.960 0.000 0.000 0.257 727 G HA3 -0.198 3.762 3.960 0.000 0.000 0.257 727 G C -0.023 174.940 174.900 0.106 0.000 1.042 727 G CA 0.217 45.365 45.100 0.079 0.000 0.791 727 G HN 0.835 nan 8.290 nan 0.000 0.502 728 V N 0.690 120.689 119.914 0.140 0.000 2.406 728 V HA 0.418 4.538 4.120 0.000 0.000 0.272 728 V C 0.510 176.784 176.094 0.300 0.000 1.043 728 V CA -0.334 62.083 62.300 0.195 0.000 0.915 728 V CB 1.613 33.542 31.823 0.176 0.000 0.988 728 V HN 0.446 nan 8.190 nan 0.000 0.466 729 D N 4.354 124.902 120.400 0.247 0.000 2.302 729 D HA 0.565 5.205 4.640 0.000 0.000 0.248 729 D C -0.470 176.046 176.300 0.360 0.000 1.094 729 D CA 0.081 54.206 54.000 0.207 0.000 0.897 729 D CB 0.746 41.608 40.800 0.104 0.000 1.200 729 D HN 0.357 nan 8.370 nan 0.000 0.429 730 F N -0.094 119.930 119.950 0.123 0.000 2.789 730 F HA 0.535 5.062 4.527 0.000 0.000 0.319 730 F C -1.217 174.635 175.800 0.087 0.000 1.168 730 F CA -1.133 56.961 58.000 0.158 0.000 0.934 730 F CB 0.849 39.973 39.000 0.207 0.000 1.375 730 F HN 0.065 nan 8.300 nan 0.000 0.480 731 Q N 1.144 121.040 119.800 0.161 0.000 2.301 731 Q HA 0.818 5.158 4.340 0.000 0.000 0.267 731 Q C -1.022 174.988 176.000 0.017 0.000 1.035 731 Q CA -0.943 54.852 55.803 -0.014 0.000 0.856 731 Q CB 2.165 30.905 28.738 0.004 0.000 1.337 731 Q HN 1.028 nan 8.270 nan 0.000 0.450 732 A N 1.462 124.256 122.820 -0.044 0.000 2.572 732 A HA 0.825 5.145 4.320 0.000 0.000 0.295 732 A C -1.450 176.076 177.584 -0.096 0.000 1.072 732 A CA -0.543 51.496 52.037 0.004 0.000 0.691 732 A CB 1.932 21.009 19.000 0.129 0.000 1.291 732 A HN 0.603 nan 8.150 nan 0.000 0.404 733 M N 1.686 121.210 119.600 -0.127 0.000 2.255 733 M HA 0.588 5.068 4.480 0.000 0.000 0.275 733 M C -1.742 174.443 176.300 -0.193 0.000 1.050 733 M CA -0.567 54.509 55.300 -0.374 0.000 0.978 733 M CB 1.113 33.389 32.600 -0.540 0.000 1.761 733 M HN 0.912 nan 8.290 nan 0.000 0.479 734 W N 4.092 125.269 121.300 -0.205 0.000 2.436 734 W HA 0.748 5.408 4.660 0.000 0.000 0.347 734 W C -1.869 174.430 176.519 -0.367 0.000 1.136 734 W CA -0.733 56.574 57.345 -0.063 0.000 1.286 734 W CB 0.266 29.712 29.460 -0.022 0.000 1.253 734 W HN 0.603 nan 8.180 nan 0.000 0.617 735 Y N 2.056 122.499 120.300 0.239 0.000 2.376 735 Y HA 0.281 4.831 4.550 0.000 0.000 0.326 735 Y C 0.470 176.503 175.900 0.222 0.000 0.970 735 Y CA -1.125 57.039 58.100 0.106 0.000 1.248 735 Y CB 1.262 39.746 38.460 0.041 0.000 1.117 735 Y HN 0.425 nan 8.280 nan 0.000 0.476 736 T N 4.775 119.534 114.554 0.342 0.000 2.822 736 T HA -0.042 4.308 4.350 0.000 0.000 0.288 736 T C 0.219 175.022 174.700 0.172 0.000 0.991 736 T CA 0.870 63.112 62.100 0.236 0.000 1.176 736 T CB -0.153 68.793 68.868 0.131 0.000 0.951 736 T HN 0.729 nan 8.240 nan 0.000 0.526 737 D N 0.575 121.059 120.400 0.140 0.000 2.978 737 D HA -0.126 4.514 4.640 0.000 0.000 0.205 737 D C 0.338 176.802 176.300 0.272 0.000 1.093 737 D CA 1.199 55.244 54.000 0.075 0.000 1.006 737 D CB -0.422 40.207 40.800 -0.285 0.000 1.116 737 D HN 0.551 nan 8.370 nan 0.000 0.419 738 E N 1.072 121.436 120.200 0.273 0.000 2.366 738 E HA 0.329 4.680 4.350 0.000 0.000 0.266 738 E C 0.780 177.570 176.600 0.317 0.000 1.051 738 E CA -0.027 56.542 56.400 0.282 0.000 0.884 738 E CB 0.956 30.805 29.700 0.250 0.000 1.006 738 E HN 0.419 nan 8.360 nan 0.000 0.417 739 D N -0.591 119.999 120.400 0.317 0.000 2.570 739 D HA 0.028 4.668 4.640 0.000 0.000 0.266 739 D C 0.997 177.517 176.300 0.367 0.000 1.182 739 D CA -0.277 53.932 54.000 0.348 0.000 1.088 739 D CB -0.212 40.815 40.800 0.379 0.000 1.186 739 D HN 0.400 nan 8.370 nan 0.000 0.618 740 H N -1.584 117.656 119.070 0.284 0.000 2.489 740 H HA 0.128 4.684 4.556 0.000 0.000 0.293 740 H C 1.872 177.405 175.328 0.343 0.000 1.066 740 H CA 2.040 58.271 56.048 0.306 0.000 1.305 740 H CB -0.330 29.590 29.762 0.263 0.000 1.386 740 H HN 0.488 nan 8.280 nan 0.000 0.551 741 G N -0.281 108.645 108.800 0.211 0.000 2.712 741 G HA2 -0.009 3.951 3.960 0.000 0.000 0.212 741 G HA3 -0.009 3.951 3.960 0.000 0.000 0.212 741 G C 0.641 175.642 174.900 0.168 0.000 1.142 741 G CA 0.209 45.338 45.100 0.049 0.000 0.789 741 G HN 0.505 nan 8.290 nan 0.000 0.535 742 I N 0.275 121.015 120.570 0.283 0.000 3.121 742 I HA -0.337 3.833 4.170 0.000 0.000 0.126 742 I C 1.562 177.779 176.117 0.167 0.000 0.937 742 I CA 0.206 61.635 61.300 0.215 0.000 2.771 742 I CB -0.837 37.269 38.000 0.177 0.000 0.913 742 I HN 0.256 nan 8.210 nan 0.000 0.349 743 A N 1.126 124.023 122.820 0.128 0.000 2.431 743 A HA 0.294 4.614 4.320 0.000 0.000 0.239 743 A C 1.053 178.676 177.584 0.065 0.000 1.230 743 A CA 0.004 52.086 52.037 0.076 0.000 0.928 743 A CB 0.295 19.308 19.000 0.023 0.000 1.006 743 A HN 0.418 nan 8.150 nan 0.000 0.520 744 S N 0.510 116.266 115.700 0.093 0.000 2.558 744 S HA 0.057 4.527 4.470 0.000 0.000 0.293 744 S C 1.511 176.163 174.600 0.086 0.000 1.292 744 S CA 0.508 58.760 58.200 0.086 0.000 1.063 744 S CB 1.175 64.433 63.200 0.097 0.000 0.831 744 S HN 0.557 nan 8.310 nan 0.000 0.499 745 S N 2.645 118.383 115.700 0.063 0.000 2.380 745 S HA -0.205 4.265 4.470 0.000 0.000 0.229 745 S C 2.223 176.884 174.600 0.101 0.000 1.043 745 S CA 2.225 60.466 58.200 0.068 0.000 1.038 745 S CB -0.711 62.510 63.200 0.035 0.000 0.872 745 S HN 0.963 nan 8.310 nan 0.000 0.456 746 T N -0.740 113.864 114.554 0.084 0.000 2.896 746 T HA 0.263 4.613 4.350 0.000 0.000 0.263 746 T C 1.926 176.686 174.700 0.101 0.000 1.050 746 T CA 1.094 63.247 62.100 0.088 0.000 1.140 746 T CB -0.679 68.234 68.868 0.076 0.000 0.877 746 T HN 0.419 nan 8.240 nan 0.000 0.457 747 A N 1.384 124.244 122.820 0.066 0.000 1.929 747 A HA -0.014 4.306 4.320 0.000 0.000 0.216 747 A C 2.165 179.703 177.584 -0.076 0.000 1.176 747 A CA 1.767 53.773 52.037 -0.053 0.000 0.628 747 A CB -1.201 17.716 19.000 -0.138 0.000 0.816 747 A HN 0.724 nan 8.150 nan 0.000 0.444 748 H N 0.036 119.091 119.070 -0.025 0.000 2.319 748 H HA -0.188 4.368 4.556 0.000 0.000 0.297 748 H C 2.074 177.480 175.328 0.129 0.000 1.097 748 H CA 2.468 58.562 56.048 0.076 0.000 1.285 748 H CB -0.230 29.576 29.762 0.074 0.000 1.368 748 H HN 0.571 nan 8.280 nan 0.000 0.495 749 Q N -1.121 118.677 119.800 -0.004 0.000 2.124 749 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 749 Q C 2.240 178.225 176.000 -0.025 0.000 0.977 749 Q CA 1.381 57.150 55.803 -0.056 0.000 0.850 749 Q CB -0.171 28.573 28.738 0.010 0.000 0.901 749 Q HN 0.635 nan 8.270 nan 0.000 0.429 750 H N 0.624 119.665 119.070 -0.049 0.000 2.333 750 H HA -0.056 4.500 4.556 0.000 0.000 0.302 750 H C 2.061 177.386 175.328 -0.005 0.000 1.075 750 H CA 1.306 57.361 56.048 0.013 0.000 1.348 750 H CB -0.060 29.771 29.762 0.115 0.000 1.393 750 H HN 0.271 nan 8.280 nan 0.000 0.509 751 I N 0.185 120.747 120.570 -0.013 0.000 2.179 751 I HA -0.346 3.824 4.170 0.000 0.000 0.242 751 I C 1.898 177.793 176.117 -0.370 0.000 1.088 751 I CA 1.378 62.572 61.300 -0.176 0.000 1.357 751 I CB -0.301 37.409 38.000 -0.483 0.000 1.051 751 I HN 0.180 nan 8.210 nan 0.000 0.409 752 Y N 0.789 120.885 120.300 -0.340 0.000 2.242 752 Y HA -0.243 4.307 4.550 0.000 0.000 0.291 752 Y C 2.705 178.365 175.900 -0.399 0.000 1.137 752 Y CA 1.978 59.750 58.100 -0.547 0.000 1.181 752 Y CB -0.640 37.505 38.460 -0.526 0.000 0.989 752 Y HN 0.175 nan 8.280 nan 0.000 0.527 753 T N -1.650 112.810 114.554 -0.157 0.000 2.708 753 T HA -0.249 4.101 4.350 0.000 0.000 0.266 753 T C 1.499 176.062 174.700 -0.229 0.000 1.037 753 T CA 1.891 63.859 62.100 -0.220 0.000 1.146 753 T CB -0.487 68.257 68.868 -0.207 0.000 0.865 753 T HN 0.415 nan 8.240 nan 0.000 0.435 754 H N 0.942 119.882 119.070 -0.215 0.000 2.321 754 H HA 0.113 4.669 4.556 0.000 0.000 0.300 754 H C 2.181 177.485 175.328 -0.041 0.000 1.087 754 H CA 1.554 57.555 56.048 -0.077 0.000 1.319 754 H CB -0.285 29.442 29.762 -0.058 0.000 1.379 754 H HN 0.237 nan 8.280 nan 0.000 0.501 755 M N -0.770 118.759 119.600 -0.119 0.000 2.279 755 M HA -0.156 4.324 4.480 0.000 0.000 0.264 755 M C 2.308 178.684 176.300 0.126 0.000 1.062 755 M CA 1.344 56.564 55.300 -0.135 0.000 1.099 755 M CB 0.056 32.324 32.600 -0.554 0.000 1.394 755 M HN 0.208 nan 8.290 nan 0.000 0.426 756 S N -0.700 115.069 115.700 0.115 0.000 2.368 756 S HA -0.135 4.335 4.470 0.000 0.000 0.224 756 S C 1.536 176.209 174.600 0.121 0.000 1.029 756 S CA 1.104 59.475 58.200 0.285 0.000 0.988 756 S CB -0.475 62.874 63.200 0.249 0.000 0.838 756 S HN 0.570 nan 8.310 nan 0.000 0.462 757 H N -0.704 118.416 119.070 0.083 0.000 2.389 757 H HA -0.014 4.542 4.556 0.000 0.000 0.299 757 H C 1.880 177.209 175.328 0.002 0.000 1.081 757 H CA 1.467 57.523 56.048 0.015 0.000 1.345 757 H CB -0.129 29.597 29.762 -0.061 0.000 1.393 757 H HN 0.358 nan 8.280 nan 0.000 0.520 758 F N 0.948 120.876 119.950 -0.037 0.000 2.113 758 F HA -0.187 4.341 4.527 0.000 0.000 0.297 758 F C 2.049 177.799 175.800 -0.084 0.000 1.103 758 F CA 1.007 58.958 58.000 -0.082 0.000 1.248 758 F CB -0.152 38.776 39.000 -0.119 0.000 0.999 758 F HN 0.052 nan 8.300 nan 0.000 0.475 759 I N 0.461 121.022 120.570 -0.016 0.000 2.252 759 I HA -0.258 3.913 4.170 0.000 0.000 0.245 759 I C 2.239 178.158 176.117 -0.331 0.000 1.102 759 I CA 1.417 62.542 61.300 -0.292 0.000 1.385 759 I CB -1.145 36.772 38.000 -0.138 0.000 1.064 759 I HN 0.197 nan 8.210 nan 0.000 0.414 760 K N 0.292 120.648 120.400 -0.073 0.000 2.057 760 K HA -0.251 4.069 4.320 0.000 0.000 0.207 760 K C 2.128 178.721 176.600 -0.012 0.000 1.049 760 K CA 1.508 57.807 56.287 0.020 0.000 0.931 760 K CB -0.163 32.401 32.500 0.106 0.000 0.714 760 K HN 0.269 nan 8.250 nan 0.000 0.440 761 Q N 0.401 120.155 119.800 -0.076 0.000 2.046 761 Q HA -0.192 4.148 4.340 0.000 0.000 0.200 761 Q C 2.292 178.203 176.000 -0.149 0.000 0.975 761 Q CA 1.738 57.481 55.803 -0.099 0.000 0.836 761 Q CB -0.232 28.433 28.738 -0.122 0.000 0.896 761 Q HN 0.453 nan 8.270 nan 0.000 0.428 762 c N -0.143 118.260 118.600 -0.327 0.000 2.413 762 c HA -0.120 4.450 4.570 0.000 0.000 0.276 762 c C 1.914 176.000 174.090 -0.006 0.000 1.248 762 c CA 0.590 56.734 56.329 -0.309 0.000 1.742 762 c CB -1.177 40.981 42.510 -0.586 0.000 2.017 762 c HN 0.615 nan 8.230 nan 0.000 0.481 763 F N 1.701 121.615 119.950 -0.059 0.000 2.765 763 F HA 0.242 4.769 4.527 0.001 0.000 0.302 763 F C 1.606 177.394 175.800 -0.019 0.000 1.111 763 F CA 0.459 58.445 58.000 -0.023 0.000 1.359 763 F CB -1.219 37.777 39.000 -0.007 0.000 1.097 763 F HN 0.230 nan 8.300 nan 0.000 0.577 764 S N 0.980 116.763 115.700 0.138 0.000 3.711 764 S HA -0.198 4.272 4.470 0.000 0.000 0.374 764 S C -0.228 174.421 174.600 0.080 0.000 0.969 764 S CA 0.101 58.348 58.200 0.078 0.000 1.198 764 S CB -2.139 61.096 63.200 0.058 0.000 0.903 764 S HN 0.255 nan 8.310 nan 0.000 0.493 765 L N 1.029 122.309 121.223 0.094 0.000 2.305 765 L HA 0.538 4.878 4.340 0.000 0.000 0.284 765 L C -1.795 175.120 176.870 0.076 0.000 1.013 765 L CA -2.043 52.850 54.840 0.089 0.000 0.819 765 L CB 1.153 43.283 42.059 0.119 0.000 1.227 765 L HN 0.040 nan 8.230 nan 0.000 0.417 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.137 63.100 0.062 0.000 0.800 766 P CB 0.000 31.727 31.700 0.046 0.000 0.726