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 3nox_1_A DATA FIRST_RESID 40 DATA SEQUENCE RKTYTLTDYL KNTYRLKLYS LRWISDHEYL YKQENNILVF NAEYGNSSVF DATA SEQUENCE LENSTFDEFG HSINDYSISP DGQFILLEYN YVKQWRHSYT ASYDIYDLNK DATA SEQUENCE RQLITEERIP NNTQWVTWSP VGHKLAYVWN NDIYVKIEPN LPSYRITWTG DATA SEQUENCE KEDIIYNGIT DWVYEEEVFS AYSALWWSPN GTFLAYAQFN DTEVPLIEYS DATA SEQUENCE FYSDESLQYP KTVRVPYPKA GAVNPTVKFF VVNTDSLSSV TNATSIQITA DATA SEQUENCE PASMLIGDHY LCDVTWATQE RISLQWLRRI QNYSVMDIcD YDESSGRWNc DATA SEQUENCE LVARQHIEMS TTGWVGRFRP SEPHFTLDGN SFYKIISNEE GYRHIcYFQI DATA SEQUENCE DKKDcTFITK GTWEVIGIEA LTSDYLYYIS NEYKGMPGGR NLYKIQLSDY DATA SEQUENCE TKVTCLSCEL NPERcQYYSV SFSKEAKYYQ LRcSGPGLPL YTLHSSVNDK DATA SEQUENCE GLRVLEDNSA LDKMLQNVQM PSKKLDFIIL NETKFWYQMI LPPHFDKSKK DATA SEQUENCE YPLLLDVYAG PCSQKADTVF RLNWATYLAS TENIIVASFD GRGSGYQGDK DATA SEQUENCE IMHAINRRLG TFEVEDQIEA ARQFSKMGFV DNKRIAIWGW SYGGYVTSMV DATA SEQUENCE LGSGSGVFKc GIAVAPVSRW EYYDSVYTER YMGLPTPEDN LDHYRNSTVM DATA SEQUENCE SRAENFKQVE YLLIHGTADD NVHFQQSAQI SKALVDVGVD FQAMWYTDED DATA SEQUENCE HGIASSTAHQ HIYTHMSHFI KQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 40 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.348 176.300 0.080 0.000 0.893 40 R CA 0.000 56.144 56.100 0.073 0.000 0.921 40 R CB 0.000 30.349 30.300 0.081 0.000 0.687 41 K N 0.911 121.362 120.400 0.085 0.000 2.139 41 K HA 0.609 4.928 4.320 -0.002 0.000 0.243 41 K C -0.801 175.857 176.600 0.097 0.000 0.983 41 K CA -0.461 55.883 56.287 0.095 0.000 0.890 41 K CB 2.026 34.592 32.500 0.110 0.000 1.090 41 K HN 0.640 nan 8.250 nan 0.000 0.445 42 T N -2.089 112.533 114.554 0.113 0.000 2.910 42 T HA 0.210 4.559 4.350 -0.002 0.000 0.287 42 T C -0.904 173.904 174.700 0.180 0.000 1.050 42 T CA -0.748 61.425 62.100 0.123 0.000 1.011 42 T CB 0.534 69.472 68.868 0.116 0.000 1.195 42 T HN 0.529 nan 8.240 nan 0.000 0.540 43 Y N 2.900 123.237 120.300 0.061 0.000 2.624 43 Y HA 0.368 4.916 4.550 -0.002 0.000 0.354 43 Y C 1.031 177.071 175.900 0.233 0.000 1.051 43 Y CA -0.328 57.839 58.100 0.111 0.000 1.377 43 Y CB -0.454 38.032 38.460 0.045 0.000 1.168 43 Y HN 0.964 nan 8.280 nan 0.000 0.525 44 T N 2.192 116.728 114.554 -0.030 0.000 2.847 44 T HA 0.133 4.482 4.350 -0.002 0.000 0.279 44 T C 1.057 175.656 174.700 -0.169 0.000 0.984 44 T CA -0.758 61.372 62.100 0.049 0.000 0.988 44 T CB 1.247 70.125 68.868 0.017 0.000 1.040 44 T HN 0.660 nan 8.240 nan 0.000 0.528 45 L N 1.412 122.406 121.223 -0.383 0.000 2.046 45 L HA -0.005 4.334 4.340 -0.002 0.000 0.208 45 L C 2.661 179.377 176.870 -0.255 0.000 1.077 45 L CA 2.196 56.652 54.840 -0.641 0.000 0.747 45 L CB -1.437 40.113 42.059 -0.848 0.000 0.896 45 L HN 0.971 nan 8.230 nan 0.000 0.432 46 T N -0.701 113.744 114.554 -0.182 0.000 2.833 46 T HA -0.159 4.190 4.350 -0.002 0.000 0.269 46 T C 1.474 176.104 174.700 -0.116 0.000 1.054 46 T CA 1.361 63.391 62.100 -0.117 0.000 1.135 46 T CB -0.410 68.414 68.868 -0.074 0.000 0.869 46 T HN 0.411 nan 8.240 nan 0.000 0.466 47 D N 0.229 120.531 120.400 -0.162 0.000 2.097 47 D HA -0.084 4.555 4.640 -0.002 0.000 0.195 47 D C 1.763 177.989 176.300 -0.125 0.000 0.989 47 D CA 1.013 54.909 54.000 -0.174 0.000 0.827 47 D CB -0.441 40.192 40.800 -0.278 0.000 0.966 47 D HN 0.398 nan 8.370 nan 0.000 0.456 48 Y N 1.711 121.817 120.300 -0.322 0.000 2.097 48 Y HA -0.171 4.378 4.550 -0.002 0.000 0.282 48 Y C 2.242 178.142 175.900 -0.000 0.000 1.152 48 Y CA 1.384 59.454 58.100 -0.049 0.000 1.136 48 Y CB -0.614 37.850 38.460 0.006 0.000 0.975 48 Y HN -0.093 nan 8.280 nan 0.000 0.498 49 L N -0.208 120.905 121.223 -0.184 0.000 2.201 49 L HA -0.159 4.180 4.340 -0.002 0.000 0.212 49 L C 1.933 178.724 176.870 -0.131 0.000 1.105 49 L CA 1.238 55.942 54.840 -0.226 0.000 0.775 49 L CB -0.392 41.580 42.059 -0.144 0.000 0.913 49 L HN 0.100 nan 8.230 nan 0.000 0.440 50 K N -0.500 119.842 120.400 -0.097 0.000 2.353 50 K HA 0.152 4.471 4.320 -0.002 0.000 0.195 50 K C 0.040 176.608 176.600 -0.052 0.000 1.031 50 K CA -0.030 56.217 56.287 -0.066 0.000 1.079 50 K CB 0.232 32.695 32.500 -0.062 0.000 0.857 50 K HN 0.235 nan 8.250 nan 0.000 0.535 51 N N 1.235 119.915 118.700 -0.033 0.000 2.771 51 N HA -0.139 4.600 4.740 -0.002 0.000 0.249 51 N C 0.222 175.732 175.510 -0.000 0.000 1.069 51 N CA 0.756 53.817 53.050 0.019 0.000 0.688 51 N CB -1.445 37.041 38.487 -0.001 0.000 0.928 51 N HN 0.101 nan 8.380 nan 0.000 0.551 52 T N -0.984 113.546 114.554 -0.041 0.000 2.821 52 T HA -0.109 4.240 4.350 -0.002 0.000 0.267 52 T C 0.381 174.834 174.700 -0.412 0.000 1.046 52 T CA 1.235 63.177 62.100 -0.263 0.000 1.139 52 T CB -0.050 68.577 68.868 -0.402 0.000 0.871 52 T HN 0.354 nan 8.240 nan 0.000 0.454 53 Y N 1.474 121.873 120.300 0.164 0.000 2.478 53 Y HA 0.500 5.049 4.550 -0.002 0.000 0.329 53 Y C 0.278 176.280 175.900 0.170 0.000 0.967 53 Y CA -1.264 56.945 58.100 0.182 0.000 1.255 53 Y CB 0.594 39.207 38.460 0.255 0.000 1.103 53 Y HN -0.114 nan 8.280 nan 0.000 0.497 54 R N 3.378 124.004 120.500 0.210 0.000 2.308 54 R HA 0.482 4.821 4.340 -0.002 0.000 0.305 54 R C -1.047 175.364 176.300 0.185 0.000 1.053 54 R CA -0.439 55.760 56.100 0.166 0.000 0.957 54 R CB 0.577 30.935 30.300 0.097 0.000 1.022 54 R HN 0.749 nan 8.270 nan 0.000 0.461 55 L N 4.875 126.212 121.223 0.190 0.000 2.367 55 L HA 0.229 4.568 4.340 -0.002 0.000 0.275 55 L C 0.100 177.066 176.870 0.161 0.000 1.129 55 L CA 0.102 55.059 54.840 0.195 0.000 0.839 55 L CB 0.987 43.179 42.059 0.222 0.000 1.133 55 L HN 0.605 nan 8.230 nan 0.000 0.453 56 K N 4.669 125.169 120.400 0.167 0.000 2.110 56 K HA 0.692 5.011 4.320 -0.002 0.000 0.263 56 K C -0.737 175.977 176.600 0.190 0.000 0.975 56 K CA -0.598 55.777 56.287 0.148 0.000 0.895 56 K CB 1.525 34.108 32.500 0.138 0.000 1.060 56 K HN 0.339 nan 8.250 nan 0.000 0.448 57 L N -0.908 120.352 121.223 0.062 0.000 2.161 57 L HA 0.623 4.962 4.340 -0.002 0.000 0.248 57 L C -1.002 175.646 176.870 -0.370 0.000 1.088 57 L CA -1.168 53.550 54.840 -0.202 0.000 0.987 57 L CB 0.586 42.597 42.059 -0.079 0.000 1.563 57 L HN 0.539 nan 8.230 nan 0.000 0.472 58 Y N 0.599 120.389 120.300 -0.851 0.000 2.477 58 Y HA 0.402 4.951 4.550 -0.002 0.000 0.332 58 Y C -1.051 174.625 175.900 -0.373 0.000 1.151 58 Y CA -0.656 57.130 58.100 -0.523 0.000 1.349 58 Y CB 1.051 39.076 38.460 -0.725 0.000 1.108 58 Y HN 0.561 nan 8.280 nan 0.000 0.567 59 S N 4.923 120.513 115.700 -0.183 0.000 2.430 59 S HA 0.701 5.170 4.470 -0.002 0.000 0.289 59 S C -0.590 173.931 174.600 -0.132 0.000 1.143 59 S CA -0.676 57.451 58.200 -0.121 0.000 1.067 59 S CB 0.799 63.962 63.200 -0.061 0.000 0.964 59 S HN 0.521 nan 8.310 nan 0.000 0.485 60 L N 0.552 121.641 121.223 -0.223 0.000 2.319 60 L HA 0.759 5.097 4.340 -0.002 0.000 0.267 60 L C -0.196 176.537 176.870 -0.228 0.000 1.011 60 L CA -1.142 53.524 54.840 -0.289 0.000 0.818 60 L CB 0.917 42.460 42.059 -0.860 0.000 1.316 60 L HN 0.492 nan 8.230 nan 0.000 0.432 61 R N 1.034 121.478 120.500 -0.094 0.000 2.371 61 R HA 0.343 4.682 4.340 -0.002 0.000 0.312 61 R C -1.496 174.839 176.300 0.058 0.000 0.980 61 R CA -0.377 55.725 56.100 0.003 0.000 0.867 61 R CB 0.901 31.265 30.300 0.107 0.000 1.163 61 R HN 0.676 nan 8.270 nan 0.000 0.492 62 W N 3.818 125.217 121.300 0.165 0.000 2.209 62 W HA 0.001 4.660 4.660 -0.002 0.000 0.344 62 W C 1.641 178.234 176.519 0.124 0.000 1.285 62 W CA -0.153 57.296 57.345 0.174 0.000 1.267 62 W CB 0.403 29.959 29.460 0.159 0.000 1.167 62 W HN 0.645 nan 8.180 nan 0.000 0.574 63 I N -0.674 120.121 120.570 0.375 0.000 4.541 63 I HA 0.339 4.508 4.170 -0.002 0.000 0.337 63 I C 0.249 176.442 176.117 0.126 0.000 1.338 63 I CA -0.216 61.189 61.300 0.175 0.000 1.244 63 I CB -0.060 37.964 38.000 0.040 0.000 1.417 63 I HN 0.277 nan 8.210 nan 0.000 0.501 64 S N 0.481 116.288 115.700 0.179 0.000 2.724 64 S HA 0.221 4.690 4.470 -0.002 0.000 0.278 64 S C -0.231 174.465 174.600 0.160 0.000 1.190 64 S CA 0.072 58.345 58.200 0.122 0.000 0.860 64 S CB 0.957 64.173 63.200 0.028 0.000 1.206 64 S HN 0.240 nan 8.310 nan 0.000 0.507 65 D N 0.126 120.643 120.400 0.195 0.000 2.363 65 D HA -0.011 4.628 4.640 -0.002 0.000 0.226 65 D C 0.974 177.503 176.300 0.381 0.000 1.020 65 D CA 1.077 55.188 54.000 0.184 0.000 0.892 65 D CB -0.584 40.311 40.800 0.158 0.000 0.900 65 D HN 0.851 nan 8.370 nan 0.000 0.531 66 H N -2.219 117.007 119.070 0.260 0.000 3.627 66 H HA 0.380 4.934 4.556 -0.002 0.000 0.262 66 H C -0.670 174.784 175.328 0.210 0.000 1.166 66 H CA -0.398 55.806 56.048 0.260 0.000 1.122 66 H CB -0.062 29.858 29.762 0.263 0.000 1.787 66 H HN 0.048 nan 8.280 nan 0.000 0.783 67 E N 0.958 121.154 120.200 -0.008 0.000 2.343 67 E HA 0.453 4.802 4.350 -0.002 0.000 0.270 67 E C -1.496 175.251 176.600 0.244 0.000 0.895 67 E CA -1.178 55.207 56.400 -0.025 0.000 0.767 67 E CB 3.007 32.549 29.700 -0.263 0.000 1.248 67 E HN 0.282 nan 8.360 nan 0.000 0.440 68 Y N -0.832 119.483 120.300 0.025 0.000 2.644 68 Y HA 0.678 5.227 4.550 -0.002 0.000 0.338 68 Y C -1.609 174.285 175.900 -0.010 0.000 1.119 68 Y CA -1.291 56.750 58.100 -0.098 0.000 1.060 68 Y CB 0.892 39.001 38.460 -0.585 0.000 1.294 68 Y HN 0.329 nan 8.280 nan 0.000 0.472 69 L N 1.938 123.312 121.223 0.251 0.000 2.330 69 L HA 0.620 4.959 4.340 -0.002 0.000 0.271 69 L C -1.379 175.742 176.870 0.418 0.000 1.013 69 L CA -1.125 53.863 54.840 0.246 0.000 0.816 69 L CB 2.067 44.226 42.059 0.168 0.000 1.287 69 L HN 0.819 nan 8.230 nan 0.000 0.435 70 Y N 0.845 121.281 120.300 0.227 0.000 2.558 70 Y HA 0.362 4.911 4.550 -0.002 0.000 0.333 70 Y C -1.431 174.531 175.900 0.104 0.000 1.125 70 Y CA -1.263 56.901 58.100 0.105 0.000 1.039 70 Y CB 1.712 40.200 38.460 0.046 0.000 1.331 70 Y HN 0.401 nan 8.280 nan 0.000 0.456 71 K N 4.091 124.056 120.400 -0.725 0.000 2.265 71 K HA 0.424 4.743 4.320 -0.002 0.000 0.267 71 K C -1.192 174.999 176.600 -0.682 0.000 0.994 71 K CA -0.659 55.329 56.287 -0.499 0.000 0.860 71 K CB 1.585 33.923 32.500 -0.270 0.000 1.099 71 K HN 0.580 nan 8.250 nan 0.000 0.448 72 Q N 2.504 122.132 119.800 -0.287 0.000 2.303 72 Q HA 0.058 4.397 4.340 -0.002 0.000 0.267 72 Q C -1.055 174.905 176.000 -0.066 0.000 1.011 72 Q CA -0.181 55.544 55.803 -0.130 0.000 0.740 72 Q CB 1.276 30.056 28.738 0.071 0.000 1.250 72 Q HN 0.769 nan 8.270 nan 0.000 0.458 73 E N 3.426 123.588 120.200 -0.062 0.000 2.476 73 E HA -0.336 4.013 4.350 -0.002 0.000 0.251 73 E C -0.714 175.852 176.600 -0.057 0.000 1.130 73 E CA 0.972 57.346 56.400 -0.044 0.000 0.736 73 E CB -1.057 28.630 29.700 -0.023 0.000 1.298 73 E HN 1.022 nan 8.360 nan 0.000 0.400 74 N N -1.072 117.582 118.700 -0.078 0.000 2.863 74 N HA -0.202 4.537 4.740 -0.002 0.000 0.245 74 N C -0.817 174.646 175.510 -0.078 0.000 1.001 74 N CA 1.388 54.395 53.050 -0.072 0.000 0.901 74 N CB -1.020 37.437 38.487 -0.051 0.000 1.124 74 N HN 0.442 nan 8.380 nan 0.000 0.582 75 N N 0.882 119.535 118.700 -0.078 0.000 2.472 75 N HA 0.271 5.010 4.740 -0.002 0.000 0.277 75 N C -0.117 175.353 175.510 -0.068 0.000 1.081 75 N CA -0.128 52.876 53.050 -0.076 0.000 0.973 75 N CB 0.873 39.326 38.487 -0.057 0.000 1.105 75 N HN 0.201 nan 8.380 nan 0.000 0.470 76 I N 3.524 124.052 120.570 -0.071 0.000 2.322 76 I HA 0.092 4.261 4.170 -0.002 0.000 0.292 76 I C -0.267 175.896 176.117 0.076 0.000 1.060 76 I CA -0.481 60.815 61.300 -0.008 0.000 1.309 76 I CB 0.469 38.441 38.000 -0.046 0.000 1.415 76 I HN 0.147 nan 8.210 nan 0.000 0.492 77 L N 7.489 128.775 121.223 0.106 0.000 2.343 77 L HA 0.476 4.815 4.340 -0.002 0.000 0.275 77 L C -0.049 176.848 176.870 0.045 0.000 1.056 77 L CA -0.512 54.349 54.840 0.035 0.000 0.804 77 L CB 1.650 43.707 42.059 -0.004 0.000 1.203 77 L HN 0.285 nan 8.230 nan 0.000 0.440 78 V N 3.013 122.845 119.914 -0.136 0.000 2.483 78 V HA 0.587 4.706 4.120 -0.002 0.000 0.295 78 V C -1.027 174.818 176.094 -0.415 0.000 1.035 78 V CA -0.339 61.841 62.300 -0.200 0.000 0.896 78 V CB 1.328 33.003 31.823 -0.246 0.000 0.986 78 V HN 0.483 nan 8.190 nan 0.000 0.447 79 F N 4.983 124.628 119.950 -0.509 0.000 2.469 79 F HA 0.488 5.014 4.527 -0.002 0.000 0.332 79 F C 0.485 175.993 175.800 -0.486 0.000 1.103 79 F CA -0.571 57.069 58.000 -0.601 0.000 0.979 79 F CB 1.606 39.931 39.000 -1.126 0.000 1.137 79 F HN 0.518 nan 8.300 nan 0.000 0.463 80 N N 1.895 120.534 118.700 -0.101 0.000 2.458 80 N HA 0.231 4.970 4.740 -0.002 0.000 0.270 80 N C 0.481 175.969 175.510 -0.036 0.000 1.102 80 N CA 0.218 53.256 53.050 -0.020 0.000 0.967 80 N CB 1.749 40.294 38.487 0.097 0.000 1.078 80 N HN 0.829 nan 8.380 nan 0.000 0.471 81 A N 3.773 126.525 122.820 -0.114 0.000 1.897 81 A HA -0.123 4.196 4.320 -0.002 0.000 0.215 81 A C 1.906 179.245 177.584 -0.408 0.000 1.181 81 A CA 1.242 53.130 52.037 -0.248 0.000 0.620 81 A CB -0.400 18.312 19.000 -0.481 0.000 0.821 81 A HN 0.783 nan 8.150 nan 0.000 0.443 82 E N -0.809 119.096 120.200 -0.492 0.000 2.031 82 E HA -0.169 4.180 4.350 -0.002 0.000 0.193 82 E C 1.427 177.768 176.600 -0.433 0.000 0.994 82 E CA 1.817 57.939 56.400 -0.463 0.000 0.800 82 E CB -0.374 28.999 29.700 -0.544 0.000 0.752 82 E HN 0.706 nan 8.360 nan 0.000 0.447 83 Y N -1.698 118.596 120.300 -0.010 0.000 2.497 83 Y HA 0.345 4.894 4.550 -0.002 0.000 0.265 83 Y C 1.681 177.582 175.900 0.002 0.000 1.111 83 Y CA 0.380 58.481 58.100 0.002 0.000 1.288 83 Y CB 0.745 39.210 38.460 0.007 0.000 1.082 83 Y HN 0.224 nan 8.280 nan 0.000 0.536 84 G N 0.841 109.710 108.800 0.116 0.000 2.179 84 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.260 84 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.260 84 G C 0.085 175.071 174.900 0.143 0.000 0.977 84 G CA 0.188 45.359 45.100 0.119 0.000 0.641 84 G HN 0.477 nan 8.290 nan 0.000 0.533 85 N N 0.656 119.414 118.700 0.096 0.000 2.482 85 N HA 0.527 5.266 4.740 -0.002 0.000 0.260 85 N C 0.147 175.587 175.510 -0.118 0.000 1.236 85 N CA 0.786 53.841 53.050 0.008 0.000 0.938 85 N CB 1.422 39.907 38.487 -0.003 0.000 1.128 85 N HN 0.829 nan 8.380 nan 0.000 0.448 86 S N -0.377 115.167 115.700 -0.259 0.000 2.732 86 S HA 0.834 5.303 4.470 -0.002 0.000 0.293 86 S C -0.792 173.596 174.600 -0.353 0.000 1.159 86 S CA -0.760 57.104 58.200 -0.560 0.000 0.847 86 S CB 1.295 63.715 63.200 -1.299 0.000 1.169 86 S HN 1.021 nan 8.310 nan 0.000 0.501 87 S N -1.097 114.387 115.700 -0.360 0.000 2.595 87 S HA 0.535 5.004 4.470 -0.002 0.000 0.270 87 S C -1.276 173.234 174.600 -0.149 0.000 1.145 87 S CA -0.764 57.319 58.200 -0.195 0.000 0.825 87 S CB 0.972 64.099 63.200 -0.122 0.000 1.107 87 S HN 1.561 nan 8.310 nan 0.000 0.461 88 V N 3.384 123.246 119.914 -0.087 0.000 2.387 88 V HA 0.341 4.460 4.120 -0.002 0.000 0.260 88 V C 0.762 176.860 176.094 0.008 0.000 1.054 88 V CA -0.295 61.974 62.300 -0.052 0.000 0.967 88 V CB -0.464 31.318 31.823 -0.069 0.000 1.036 88 V HN 0.868 nan 8.190 nan 0.000 0.481 89 F N 6.953 126.831 119.950 -0.121 0.000 2.113 89 F HA 0.190 4.716 4.527 -0.002 0.000 0.297 89 F C 0.472 176.210 175.800 -0.104 0.000 1.103 89 F CA 1.316 59.254 58.000 -0.104 0.000 1.248 89 F CB 0.307 39.252 39.000 -0.092 0.000 0.999 89 F HN 0.417 nan 8.300 nan 0.000 0.475 90 L N 0.698 121.770 121.223 -0.253 0.000 2.438 90 L HA 0.367 4.706 4.340 -0.002 0.000 0.270 90 L C -1.216 175.518 176.870 -0.226 0.000 0.972 90 L CA -0.552 54.075 54.840 -0.354 0.000 0.831 90 L CB 1.670 43.478 42.059 -0.419 0.000 1.273 90 L HN -0.141 nan 8.230 nan 0.000 0.405 91 E N 2.142 122.200 120.200 -0.237 0.000 2.289 91 E HA 0.180 4.528 4.350 -0.002 0.000 0.278 91 E C 0.788 177.276 176.600 -0.187 0.000 1.032 91 E CA -0.116 56.173 56.400 -0.184 0.000 0.854 91 E CB 0.522 30.116 29.700 -0.176 0.000 1.046 91 E HN 0.595 nan 8.360 nan 0.000 0.409 92 N N 1.731 120.353 118.700 -0.131 0.000 2.247 92 N HA -0.305 4.434 4.740 -0.002 0.000 0.189 92 N C 1.245 176.686 175.510 -0.116 0.000 1.009 92 N CA 1.714 54.701 53.050 -0.105 0.000 0.872 92 N CB -0.536 37.907 38.487 -0.073 0.000 0.980 92 N HN 0.424 nan 8.380 nan 0.000 0.436 93 S N -0.823 114.794 115.700 -0.139 0.000 2.368 93 S HA -0.103 4.365 4.470 -0.002 0.000 0.225 93 S C 0.792 175.270 174.600 -0.204 0.000 1.030 93 S CA 0.686 58.803 58.200 -0.139 0.000 0.999 93 S CB -1.430 61.693 63.200 -0.129 0.000 0.844 93 S HN 0.353 nan 8.310 nan 0.000 0.459 94 T N 2.506 116.846 114.554 -0.357 0.000 2.934 94 T HA 0.247 4.596 4.350 -0.002 0.000 0.306 94 T C 0.046 174.389 174.700 -0.595 0.000 1.042 94 T CA 0.642 62.336 62.100 -0.677 0.000 1.145 94 T CB -0.378 67.782 68.868 -1.179 0.000 0.982 94 T HN 0.439 nan 8.240 nan 0.000 0.544 95 F N -0.514 119.353 119.950 -0.138 0.000 2.544 95 F HA -0.191 4.335 4.527 -0.002 0.000 0.389 95 F C 1.138 176.939 175.800 0.001 0.000 0.588 95 F CA 0.218 58.172 58.000 -0.075 0.000 1.461 95 F CB -2.322 36.527 39.000 -0.252 0.000 1.995 95 F HN 0.534 nan 8.300 nan 0.000 0.282 96 D N 0.875 121.325 120.400 0.084 0.000 2.265 96 D HA -0.115 4.523 4.640 -0.002 0.000 0.208 96 D C 1.617 177.958 176.300 0.068 0.000 0.977 96 D CA 1.423 55.457 54.000 0.056 0.000 0.871 96 D CB 0.020 40.819 40.800 -0.001 0.000 0.925 96 D HN 0.471 nan 8.370 nan 0.000 0.485 97 E N -0.698 119.556 120.200 0.090 0.000 2.585 97 E HA 0.027 4.376 4.350 -0.002 0.000 0.206 97 E C 0.893 177.554 176.600 0.102 0.000 1.007 97 E CA -0.366 56.070 56.400 0.061 0.000 1.028 97 E CB -0.027 29.691 29.700 0.030 0.000 1.087 97 E HN 0.240 nan 8.360 nan 0.000 0.455 98 F N 1.301 121.259 119.950 0.013 0.000 2.128 98 F HA 0.045 4.571 4.527 -0.002 0.000 0.295 98 F C 1.659 177.394 175.800 -0.109 0.000 1.100 98 F CA 2.190 60.183 58.000 -0.012 0.000 1.260 98 F CB 0.267 39.246 39.000 -0.036 0.000 1.009 98 F HN 0.223 nan 8.300 nan 0.000 0.476 99 G N -1.306 107.326 108.800 -0.280 0.000 2.428 99 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.199 99 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.199 99 G C -0.192 174.338 174.900 -0.618 0.000 1.005 99 G CA 0.028 44.817 45.100 -0.518 0.000 0.671 99 G HN 0.592 nan 8.290 nan 0.000 0.485 100 H N 0.124 119.083 119.070 -0.184 0.000 2.747 100 H HA 0.738 5.293 4.556 -0.002 0.000 0.371 100 H C -0.117 175.314 175.328 0.171 0.000 1.161 100 H CA 0.075 56.126 56.048 0.005 0.000 1.167 100 H CB 1.880 31.580 29.762 -0.103 0.000 1.732 100 H HN 0.196 nan 8.280 nan 0.000 0.544 101 S N 1.494 117.333 115.700 0.232 0.000 2.528 101 S HA 0.259 4.728 4.470 -0.002 0.000 0.277 101 S C -0.005 174.667 174.600 0.120 0.000 1.297 101 S CA -0.599 57.684 58.200 0.138 0.000 1.052 101 S CB -0.148 63.107 63.200 0.092 0.000 0.917 101 S HN 0.392 nan 8.310 nan 0.000 0.492 102 I N 5.381 125.960 120.570 0.014 0.000 2.365 102 I HA 0.211 4.380 4.170 -0.002 0.000 0.291 102 I C 1.561 177.659 176.117 -0.031 0.000 1.004 102 I CA -0.368 60.896 61.300 -0.060 0.000 1.311 102 I CB 1.083 38.947 38.000 -0.226 0.000 1.401 102 I HN 0.737 nan 8.210 nan 0.000 0.491 103 N N 3.527 122.205 118.700 -0.036 0.000 2.432 103 N HA -0.007 4.732 4.740 -0.002 0.000 0.174 103 N C -0.050 175.390 175.510 -0.118 0.000 1.037 103 N CA 0.778 53.767 53.050 -0.101 0.000 0.892 103 N CB 0.626 39.025 38.487 -0.147 0.000 1.049 103 N HN 0.736 nan 8.380 nan 0.000 0.442 104 D N -1.764 118.603 120.400 -0.054 0.000 2.804 104 D HA 0.187 4.826 4.640 -0.002 0.000 0.309 104 D C -1.773 174.576 176.300 0.081 0.000 1.311 104 D CA -0.369 53.605 54.000 -0.044 0.000 0.765 104 D CB 0.319 41.042 40.800 -0.129 0.000 1.293 104 D HN 0.081 nan 8.370 nan 0.000 0.434 105 Y N -1.375 118.955 120.300 0.049 0.000 2.624 105 Y HA 0.735 5.284 4.550 -0.002 0.000 0.334 105 Y C -1.399 174.606 175.900 0.174 0.000 1.155 105 Y CA -0.892 57.269 58.100 0.102 0.000 1.046 105 Y CB 1.418 39.927 38.460 0.081 0.000 1.316 105 Y HN 0.246 nan 8.280 nan 0.000 0.457 106 S N 1.891 117.865 115.700 0.456 0.000 2.546 106 S HA 0.745 5.214 4.470 -0.002 0.000 0.272 106 S C -1.960 173.031 174.600 0.651 0.000 1.140 106 S CA -0.438 58.043 58.200 0.469 0.000 0.920 106 S CB 0.916 64.359 63.200 0.405 0.000 1.083 106 S HN 0.619 nan 8.310 nan 0.000 0.476 107 I N 3.896 124.730 120.570 0.440 0.000 2.392 107 I HA 0.374 4.542 4.170 -0.002 0.000 0.295 107 I C 0.657 176.564 176.117 -0.349 0.000 0.985 107 I CA 0.014 61.431 61.300 0.195 0.000 1.221 107 I CB 1.886 40.017 38.000 0.220 0.000 1.366 107 I HN 0.759 nan 8.210 nan 0.000 0.467 108 S N 6.146 121.326 115.700 -0.866 0.000 2.568 108 S HA 0.146 4.614 4.470 -0.002 0.000 0.282 108 S C -1.894 172.403 174.600 -0.504 0.000 1.338 108 S CA -0.753 56.645 58.200 -1.337 0.000 1.045 108 S CB 0.126 62.604 63.200 -1.204 0.000 0.873 108 S HN 0.455 nan 8.310 nan 0.000 0.516 109 P HA -0.165 nan 4.420 nan 0.000 0.216 109 P C 0.717 177.937 177.300 -0.134 0.000 1.154 109 P CA 1.659 64.663 63.100 -0.160 0.000 0.865 109 P CB -0.227 31.403 31.700 -0.116 0.000 0.789 110 D N -1.814 118.491 120.400 -0.157 0.000 2.332 110 D HA 0.095 4.734 4.640 -0.002 0.000 0.244 110 D C 1.343 177.579 176.300 -0.108 0.000 1.136 110 D CA 0.437 54.362 54.000 -0.125 0.000 0.884 110 D CB -1.385 39.322 40.800 -0.156 0.000 0.906 110 D HN 0.218 nan 8.370 nan 0.000 0.520 111 G N 0.236 108.974 108.800 -0.103 0.000 2.186 111 G HA2 -0.451 3.508 3.960 -0.002 0.000 0.266 111 G HA3 -0.451 3.508 3.960 -0.002 0.000 0.266 111 G C 1.014 175.887 174.900 -0.045 0.000 0.982 111 G CA 0.800 45.878 45.100 -0.036 0.000 0.670 111 G HN 0.491 nan 8.290 nan 0.000 0.533 112 Q N -1.635 118.073 119.800 -0.154 0.000 2.269 112 Q HA 0.297 4.636 4.340 -0.002 0.000 0.201 112 Q C 0.363 175.994 176.000 -0.615 0.000 0.946 112 Q CA 0.757 56.310 55.803 -0.416 0.000 0.877 112 Q CB 0.287 28.686 28.738 -0.566 0.000 0.963 112 Q HN 0.604 nan 8.270 nan 0.000 0.472 113 F N -0.788 119.148 119.950 -0.022 0.000 2.613 113 F HA 0.544 5.070 4.527 -0.002 0.000 0.314 113 F C -0.575 175.307 175.800 0.138 0.000 1.075 113 F CA -1.152 56.893 58.000 0.075 0.000 0.945 113 F CB 1.778 40.858 39.000 0.132 0.000 1.310 113 F HN -0.219 nan 8.300 nan 0.000 0.467 114 I N 2.281 123.178 120.570 0.546 0.000 2.619 114 I HA 0.443 4.612 4.170 -0.002 0.000 0.292 114 I C -1.752 174.708 176.117 0.572 0.000 1.100 114 I CA -0.724 60.895 61.300 0.531 0.000 1.043 114 I CB 1.812 40.042 38.000 0.383 0.000 1.239 114 I HN 0.478 nan 8.210 nan 0.000 0.420 115 L N 7.563 129.144 121.223 0.595 0.000 2.312 115 L HA 0.488 4.827 4.340 -0.002 0.000 0.281 115 L C -1.096 175.940 176.870 0.278 0.000 1.070 115 L CA -0.711 54.352 54.840 0.372 0.000 0.805 115 L CB 1.373 43.566 42.059 0.222 0.000 1.174 115 L HN 0.531 nan 8.230 nan 0.000 0.434 116 L N 4.419 125.757 121.223 0.192 0.000 2.325 116 L HA 0.436 4.775 4.340 -0.002 0.000 0.281 116 L C -0.239 176.703 176.870 0.120 0.000 1.004 116 L CA -0.367 54.502 54.840 0.048 0.000 0.823 116 L CB 1.837 43.721 42.059 -0.292 0.000 1.236 116 L HN 0.551 nan 8.230 nan 0.000 0.415 117 E N 4.024 124.237 120.200 0.021 0.000 2.092 117 E HA 0.379 4.728 4.350 -0.002 0.000 0.271 117 E C -1.568 174.967 176.600 -0.109 0.000 0.919 117 E CA -0.561 55.688 56.400 -0.252 0.000 0.760 117 E CB 0.845 30.473 29.700 -0.119 0.000 1.106 117 E HN 0.461 nan 8.360 nan 0.000 0.408 118 Y N 1.862 121.962 120.300 -0.333 0.000 2.693 118 Y HA 0.513 5.062 4.550 -0.002 0.000 0.331 118 Y C 0.160 175.946 175.900 -0.191 0.000 1.092 118 Y CA -1.815 56.178 58.100 -0.179 0.000 1.131 118 Y CB 0.429 38.852 38.460 -0.063 0.000 1.318 118 Y HN 0.452 nan 8.280 nan 0.000 0.510 119 N N -1.071 117.609 118.700 -0.033 0.000 2.747 119 N HA -0.288 4.450 4.740 -0.002 0.000 0.249 119 N C -0.995 174.467 175.510 -0.080 0.000 1.107 119 N CA 0.802 53.793 53.050 -0.099 0.000 0.707 119 N CB -1.936 36.382 38.487 -0.282 0.000 1.054 119 N HN 0.825 nan 8.380 nan 0.000 0.555 120 Y N 0.351 120.554 120.300 -0.161 0.000 2.810 120 Y HA 0.179 4.728 4.550 -0.002 0.000 0.332 120 Y C 0.243 176.084 175.900 -0.099 0.000 1.243 120 Y CA 0.377 58.372 58.100 -0.174 0.000 1.537 120 Y CB 0.616 38.943 38.460 -0.221 0.000 1.265 120 Y HN -0.002 nan 8.280 nan 0.000 0.572 121 V N 7.981 127.517 119.914 -0.630 0.000 2.509 121 V HA 0.170 4.289 4.120 -0.002 0.000 0.289 121 V C -0.378 175.338 176.094 -0.629 0.000 1.026 121 V CA -1.438 60.562 62.300 -0.500 0.000 0.872 121 V CB 1.320 33.001 31.823 -0.236 0.000 1.017 121 V HN 0.732 nan 8.190 nan 0.000 0.436 122 K N 3.655 123.666 120.400 -0.648 0.000 2.382 122 K HA 0.242 4.561 4.320 -0.002 0.000 0.275 122 K C 0.496 176.913 176.600 -0.304 0.000 1.009 122 K CA 0.197 56.245 56.287 -0.398 0.000 0.970 122 K CB 1.330 33.771 32.500 -0.100 0.000 0.934 122 K HN 0.799 nan 8.250 nan 0.000 0.479 123 Q N 3.274 122.872 119.800 -0.337 0.000 2.429 123 Q HA 0.165 4.504 4.340 -0.002 0.000 0.230 123 Q C -0.200 175.522 176.000 -0.463 0.000 0.970 123 Q CA -0.277 55.130 55.803 -0.659 0.000 0.778 123 Q CB 0.091 28.264 28.738 -0.941 0.000 2.016 123 Q HN 0.715 nan 8.270 nan 0.000 0.543 124 W N 0.031 121.301 121.300 -0.049 0.000 2.342 124 W HA 0.418 5.077 4.660 -0.002 0.000 0.530 124 W C 1.595 178.075 176.519 -0.064 0.000 1.880 124 W CA -0.842 56.497 57.345 -0.010 0.000 2.052 124 W CB 0.025 29.442 29.460 -0.072 0.000 2.206 124 W HN 0.274 nan 8.180 nan 0.000 0.741 125 R N -0.454 120.129 120.500 0.138 0.000 2.117 125 R HA -0.200 4.139 4.340 -0.002 0.000 0.243 125 R C 1.474 177.592 176.300 -0.304 0.000 1.143 125 R CA 1.967 57.973 56.100 -0.157 0.000 0.968 125 R CB -0.356 29.720 30.300 -0.372 0.000 0.863 125 R HN 0.537 nan 8.270 nan 0.000 0.444 126 H N -1.646 117.489 119.070 0.107 0.000 2.926 126 H HA 0.163 4.718 4.556 -0.002 0.000 0.249 126 H C 0.680 176.052 175.328 0.073 0.000 0.963 126 H CA 0.472 56.595 56.048 0.125 0.000 1.158 126 H CB 0.248 30.062 29.762 0.087 0.000 1.445 126 H HN 0.146 nan 8.280 nan 0.000 0.452 127 S N 1.295 116.941 115.700 -0.091 0.000 2.603 127 S HA 0.421 4.890 4.470 -0.002 0.000 0.268 127 S C -0.334 174.039 174.600 -0.377 0.000 1.317 127 S CA -0.449 57.341 58.200 -0.683 0.000 1.012 127 S CB 0.924 63.127 63.200 -1.662 0.000 0.926 127 S HN 0.428 nan 8.310 nan 0.000 0.539 128 Y N -2.781 117.326 120.300 -0.321 0.000 2.774 128 Y HA 0.629 5.178 4.550 -0.002 0.000 0.346 128 Y C -0.773 175.073 175.900 -0.089 0.000 1.222 128 Y CA -0.939 56.992 58.100 -0.282 0.000 1.088 128 Y CB 0.379 38.630 38.460 -0.348 0.000 1.354 128 Y HN 0.902 nan 8.280 nan 0.000 0.455 129 T N -0.159 114.456 114.554 0.101 0.000 2.940 129 T HA 1.019 5.368 4.350 -0.002 0.000 0.288 129 T C -0.432 174.360 174.700 0.154 0.000 1.033 129 T CA -0.034 62.164 62.100 0.163 0.000 1.033 129 T CB 1.764 70.671 68.868 0.065 0.000 1.079 129 T HN 1.859 nan 8.240 nan 0.000 0.496 130 A N 1.179 124.080 122.820 0.134 0.000 2.581 130 A HA 0.808 5.127 4.320 -0.002 0.000 0.290 130 A C -0.581 176.798 177.584 -0.342 0.000 1.119 130 A CA -1.018 50.931 52.037 -0.146 0.000 0.670 130 A CB 1.079 19.957 19.000 -0.205 0.000 1.280 130 A HN 0.940 nan 8.150 nan 0.000 0.425 131 S N -0.907 114.337 115.700 -0.760 0.000 2.638 131 S HA 0.852 5.321 4.470 -0.002 0.000 0.298 131 S C -1.469 172.453 174.600 -1.131 0.000 1.111 131 S CA -0.216 57.467 58.200 -0.863 0.000 1.027 131 S CB 0.880 63.347 63.200 -1.221 0.000 1.064 131 S HN 0.498 nan 8.310 nan 0.000 0.525 132 Y N -0.311 119.755 120.300 -0.391 0.000 2.534 132 Y HA 0.512 5.061 4.550 -0.002 0.000 0.345 132 Y C -0.447 175.503 175.900 0.083 0.000 1.031 132 Y CA -0.859 57.175 58.100 -0.110 0.000 1.022 132 Y CB 1.930 40.271 38.460 -0.198 0.000 1.292 132 Y HN 0.529 nan 8.280 nan 0.000 0.459 133 D N 1.826 122.431 120.400 0.342 0.000 2.547 133 D HA 0.614 5.253 4.640 -0.002 0.000 0.231 133 D C -1.086 175.336 176.300 0.203 0.000 1.099 133 D CA -0.342 53.814 54.000 0.261 0.000 0.901 133 D CB 2.710 43.709 40.800 0.332 0.000 1.478 133 D HN 0.410 nan 8.370 nan 0.000 0.471 134 I N 1.335 122.029 120.570 0.207 0.000 2.465 134 I HA 0.263 4.431 4.170 -0.002 0.000 0.291 134 I C -1.163 175.179 176.117 0.374 0.000 1.014 134 I CA -0.981 60.485 61.300 0.276 0.000 1.093 134 I CB 1.913 40.034 38.000 0.203 0.000 1.267 134 I HN 0.212 nan 8.210 nan 0.000 0.431 135 Y N 5.224 125.696 120.300 0.286 0.000 2.334 135 Y HA 0.299 4.848 4.550 -0.002 0.000 0.336 135 Y C -0.073 176.009 175.900 0.304 0.000 0.960 135 Y CA -0.677 57.588 58.100 0.275 0.000 1.164 135 Y CB 0.845 39.476 38.460 0.285 0.000 1.155 135 Y HN 0.496 nan 8.280 nan 0.000 0.478 136 D N 5.131 125.529 120.400 -0.004 0.000 2.390 136 D HA 0.059 4.698 4.640 -0.002 0.000 0.249 136 D C 0.559 176.599 176.300 -0.433 0.000 1.144 136 D CA 0.474 54.394 54.000 -0.134 0.000 0.880 136 D CB 1.242 42.008 40.800 -0.057 0.000 1.182 136 D HN 0.833 nan 8.370 nan 0.000 0.451 137 L N 3.591 124.604 121.223 -0.351 0.000 2.168 137 L HA -0.038 4.300 4.340 -0.002 0.000 0.203 137 L C 2.051 178.780 176.870 -0.235 0.000 1.078 137 L CA 0.237 54.927 54.840 -0.251 0.000 0.780 137 L CB -0.209 41.766 42.059 -0.140 0.000 0.939 137 L HN 0.376 nan 8.230 nan 0.000 0.451 138 N N 0.479 119.037 118.700 -0.238 0.000 2.216 138 N HA -0.139 4.600 4.740 -0.002 0.000 0.183 138 N C 1.476 176.894 175.510 -0.153 0.000 1.017 138 N CA 1.086 54.036 53.050 -0.167 0.000 0.861 138 N CB -0.114 38.282 38.487 -0.153 0.000 0.986 138 N HN 0.316 nan 8.380 nan 0.000 0.428 139 K N 0.788 121.080 120.400 -0.181 0.000 2.525 139 K HA 0.155 4.474 4.320 -0.002 0.000 0.192 139 K C -0.077 176.405 176.600 -0.196 0.000 1.029 139 K CA -0.154 56.044 56.287 -0.149 0.000 1.029 139 K CB 0.202 32.632 32.500 -0.117 0.000 0.814 139 K HN 0.071 nan 8.250 nan 0.000 0.503 140 R N 1.857 122.187 120.500 -0.282 0.000 3.034 140 R HA -0.229 4.110 4.340 -0.002 0.000 0.237 140 R C -0.765 175.298 176.300 -0.395 0.000 0.861 140 R CA 0.742 56.632 56.100 -0.350 0.000 0.588 140 R CB -1.217 29.016 30.300 -0.111 0.000 1.035 140 R HN 0.387 nan 8.270 nan 0.000 0.488 141 Q N -0.278 119.139 119.800 -0.638 0.000 2.501 141 Q HA 0.449 4.787 4.340 -0.002 0.000 0.288 141 Q C -1.386 174.464 176.000 -0.250 0.000 1.051 141 Q CA -1.183 54.450 55.803 -0.283 0.000 0.788 141 Q CB 1.950 30.627 28.738 -0.101 0.000 1.469 141 Q HN 0.090 nan 8.270 nan 0.000 0.416 142 L N 2.028 123.348 121.223 0.162 0.000 2.275 142 L HA 0.471 4.810 4.340 -0.002 0.000 0.288 142 L C -0.962 176.023 176.870 0.192 0.000 1.046 142 L CA -0.039 55.005 54.840 0.339 0.000 0.805 142 L CB 0.975 43.293 42.059 0.432 0.000 1.193 142 L HN 0.521 nan 8.230 nan 0.000 0.426 143 I N 4.059 124.743 120.570 0.189 0.000 2.529 143 I HA 0.207 4.376 4.170 -0.002 0.000 0.284 143 I C 0.666 176.843 176.117 0.099 0.000 1.082 143 I CA 0.101 61.477 61.300 0.126 0.000 1.406 143 I CB 0.986 39.060 38.000 0.122 0.000 1.405 143 I HN 0.774 nan 8.210 nan 0.000 0.548 144 T N 0.034 114.626 114.554 0.063 0.000 3.144 144 T HA 0.265 4.614 4.350 -0.002 0.000 0.290 144 T C 0.351 175.058 174.700 0.011 0.000 0.966 144 T CA -0.462 61.661 62.100 0.039 0.000 0.907 144 T CB 0.013 68.904 68.868 0.039 0.000 1.152 144 T HN 0.483 nan 8.240 nan 0.000 0.532 145 E N 2.061 122.265 120.200 0.008 0.000 2.349 145 E HA 0.179 4.528 4.350 -0.002 0.000 0.262 145 E C -0.208 176.371 176.600 -0.034 0.000 1.088 145 E CA -0.640 55.753 56.400 -0.012 0.000 0.899 145 E CB 0.426 30.121 29.700 -0.008 0.000 1.044 145 E HN 0.206 nan 8.360 nan 0.000 0.420 146 E N 1.669 121.839 120.200 -0.050 0.000 1.906 146 E HA -0.273 4.076 4.350 -0.002 0.000 0.168 146 E C -0.545 175.996 176.600 -0.097 0.000 1.352 146 E CA 0.947 57.302 56.400 -0.075 0.000 0.615 146 E CB -1.121 28.538 29.700 -0.068 0.000 1.036 146 E HN 0.341 nan 8.360 nan 0.000 0.294 147 R N -0.144 120.290 120.500 -0.109 0.000 2.774 147 R HA 0.325 4.664 4.340 -0.002 0.000 0.269 147 R C 1.030 177.181 176.300 -0.247 0.000 1.068 147 R CA -0.434 55.587 56.100 -0.131 0.000 1.180 147 R CB 0.527 30.774 30.300 -0.089 0.000 1.077 147 R HN 0.198 nan 8.270 nan 0.000 0.513 148 I N 3.424 123.817 120.570 -0.295 0.000 2.496 148 I HA 0.108 4.277 4.170 -0.002 0.000 0.285 148 I C -1.832 173.984 176.117 -0.501 0.000 1.080 148 I CA -1.801 59.171 61.300 -0.547 0.000 1.404 148 I CB 0.879 38.551 38.000 -0.546 0.000 1.403 148 I HN 0.294 nan 8.210 nan 0.000 0.539 149 P HA 0.080 nan 4.420 nan 0.000 0.271 149 P C -0.785 176.265 177.300 -0.417 0.000 1.216 149 P CA -0.335 62.348 63.100 -0.696 0.000 0.776 149 P CB 0.322 31.171 31.700 -1.419 0.000 0.881 150 N N 2.951 121.497 118.700 -0.258 0.000 2.344 150 N HA -0.060 4.679 4.740 -0.002 0.000 0.236 150 N C 0.722 176.259 175.510 0.045 0.000 1.279 150 N CA 0.570 53.539 53.050 -0.134 0.000 0.882 150 N CB -0.282 38.146 38.487 -0.098 0.000 1.110 150 N HN 0.461 nan 8.380 nan 0.000 0.436 151 N N -1.412 117.330 118.700 0.070 0.000 2.800 151 N HA -0.157 4.581 4.740 -0.002 0.000 0.250 151 N C -0.756 174.960 175.510 0.344 0.000 1.078 151 N CA 0.763 53.928 53.050 0.192 0.000 0.804 151 N CB -1.529 37.106 38.487 0.246 0.000 1.135 151 N HN 0.513 nan 8.380 nan 0.000 0.565 152 T N 0.964 115.690 114.554 0.287 0.000 2.940 152 T HA 0.044 4.393 4.350 -0.002 0.000 0.309 152 T C 1.691 176.590 174.700 0.331 0.000 1.056 152 T CA 0.381 62.671 62.100 0.317 0.000 1.137 152 T CB 0.945 69.882 68.868 0.115 0.000 0.976 152 T HN 0.187 nan 8.240 nan 0.000 0.547 153 Q N 1.174 121.171 119.800 0.329 0.000 2.392 153 Q HA 0.193 4.532 4.340 -0.002 0.000 0.219 153 Q C 0.005 176.259 176.000 0.423 0.000 0.895 153 Q CA 0.121 56.144 55.803 0.367 0.000 0.929 153 Q CB 1.034 29.967 28.738 0.326 0.000 1.077 153 Q HN 0.710 nan 8.270 nan 0.000 0.532 154 W N 0.440 121.772 121.300 0.052 0.000 3.953 154 W HA 0.402 5.061 4.660 -0.002 0.000 0.286 154 W C -2.300 174.176 176.519 -0.072 0.000 1.256 154 W CA -0.575 56.750 57.345 -0.035 0.000 1.244 154 W CB 1.072 30.453 29.460 -0.133 0.000 1.262 154 W HN -0.333 nan 8.180 nan 0.000 0.522 155 V N 3.388 122.710 119.914 -0.987 0.000 2.914 155 V HA 0.818 4.937 4.120 -0.002 0.000 0.314 155 V C -0.392 175.125 176.094 -0.961 0.000 1.084 155 V CA -0.753 61.049 62.300 -0.829 0.000 0.963 155 V CB 1.819 33.070 31.823 -0.953 0.000 1.025 155 V HN 0.481 nan 8.190 nan 0.000 0.432 156 T N 1.893 116.173 114.554 -0.456 0.000 3.435 156 T HA 0.401 4.750 4.350 -0.002 0.000 0.344 156 T C -1.375 173.349 174.700 0.040 0.000 1.211 156 T CA -0.391 61.613 62.100 -0.160 0.000 1.104 156 T CB 0.507 69.500 68.868 0.209 0.000 1.196 156 T HN 0.548 nan 8.240 nan 0.000 0.471 157 W N 3.412 124.750 121.300 0.063 0.000 2.123 157 W HA 0.387 5.045 4.660 -0.002 0.000 0.351 157 W C 1.252 177.629 176.519 -0.236 0.000 1.292 157 W CA -0.535 56.794 57.345 -0.027 0.000 1.263 157 W CB 0.490 29.938 29.460 -0.021 0.000 1.165 157 W HN 0.754 nan 8.180 nan 0.000 0.590 158 S N 1.493 116.966 115.700 -0.378 0.000 2.585 158 S HA 0.129 4.598 4.470 -0.002 0.000 0.273 158 S C -1.805 172.557 174.600 -0.398 0.000 1.339 158 S CA -1.101 56.399 58.200 -1.167 0.000 1.028 158 S CB 0.886 63.318 63.200 -1.280 0.000 0.906 158 S HN 0.274 nan 8.310 nan 0.000 0.528 159 P HA -0.001 nan 4.420 nan 0.000 0.220 159 P C 0.168 177.421 177.300 -0.078 0.000 1.148 159 P CA 0.789 63.852 63.100 -0.062 0.000 0.803 159 P CB -0.244 31.456 31.700 -0.000 0.000 0.782 160 V N -5.550 114.278 119.914 -0.144 0.000 2.638 160 V HA 0.890 5.008 4.120 -0.002 0.000 0.306 160 V C 0.228 176.230 176.094 -0.154 0.000 1.052 160 V CA -0.284 61.944 62.300 -0.120 0.000 0.885 160 V CB 1.007 32.777 31.823 -0.090 0.000 0.999 160 V HN 0.446 nan 8.190 nan 0.000 0.424 161 G N 3.892 112.600 108.800 -0.153 0.000 2.475 161 G HA2 -0.135 3.824 3.960 -0.002 0.000 0.223 161 G HA3 -0.135 3.824 3.960 -0.002 0.000 0.223 161 G C 0.065 174.898 174.900 -0.111 0.000 1.201 161 G CA 0.480 45.463 45.100 -0.194 0.000 0.962 161 G HN 2.318 nan 8.290 nan 0.000 0.586 162 H N -0.698 118.359 119.070 -0.021 0.000 2.665 162 H HA 0.500 5.054 4.556 -0.002 0.000 0.248 162 H C 0.504 175.947 175.328 0.192 0.000 1.175 162 H CA -0.410 55.666 56.048 0.046 0.000 0.952 162 H CB 0.288 30.111 29.762 0.103 0.000 1.883 162 H HN 0.383 nan 8.280 nan 0.000 0.623 163 K N 1.754 122.308 120.400 0.257 0.000 2.258 163 K HA 0.356 4.675 4.320 -0.002 0.000 0.264 163 K C -0.538 176.176 176.600 0.190 0.000 1.007 163 K CA -0.252 56.109 56.287 0.123 0.000 0.941 163 K CB 1.683 34.125 32.500 -0.096 0.000 0.966 163 K HN 0.183 nan 8.250 nan 0.000 0.480 164 L N 0.889 122.217 121.223 0.174 0.000 2.370 164 L HA 0.586 4.925 4.340 -0.002 0.000 0.266 164 L C -0.927 176.122 176.870 0.299 0.000 1.002 164 L CA -0.821 54.080 54.840 0.102 0.000 0.818 164 L CB 2.152 44.145 42.059 -0.111 0.000 1.325 164 L HN 0.716 nan 8.230 nan 0.000 0.418 165 A N 2.288 125.282 122.820 0.289 0.000 2.414 165 A HA 0.853 5.172 4.320 -0.002 0.000 0.306 165 A C -1.769 175.864 177.584 0.082 0.000 1.054 165 A CA -0.382 51.741 52.037 0.143 0.000 0.724 165 A CB 1.529 20.570 19.000 0.068 0.000 1.267 165 A HN 0.648 nan 8.150 nan 0.000 0.418 166 Y N -0.778 119.514 120.300 -0.015 0.000 2.581 166 Y HA 0.723 5.272 4.550 -0.002 0.000 0.337 166 Y C -1.345 174.607 175.900 0.086 0.000 1.108 166 Y CA -1.549 56.527 58.100 -0.040 0.000 1.033 166 Y CB 0.831 39.188 38.460 -0.173 0.000 1.318 166 Y HN 0.455 nan 8.280 nan 0.000 0.459 167 V N 2.412 122.530 119.914 0.339 0.000 2.483 167 V HA 0.453 4.572 4.120 -0.002 0.000 0.295 167 V C -1.327 175.052 176.094 0.475 0.000 1.035 167 V CA -0.560 61.917 62.300 0.295 0.000 0.896 167 V CB 1.372 33.272 31.823 0.128 0.000 0.986 167 V HN 0.893 nan 8.190 nan 0.000 0.447 168 W N 5.302 126.742 121.300 0.234 0.000 3.405 168 W HA 0.488 5.147 4.660 -0.002 0.000 0.329 168 W C -0.004 176.596 176.519 0.136 0.000 1.142 168 W CA -0.522 56.914 57.345 0.152 0.000 1.235 168 W CB 1.223 30.730 29.460 0.079 0.000 1.341 168 W HN 0.623 nan 8.180 nan 0.000 0.481 169 N N 4.858 123.185 118.700 -0.622 0.000 2.735 169 N HA -0.288 4.450 4.740 -0.002 0.000 0.248 169 N C 0.126 175.502 175.510 -0.224 0.000 1.083 169 N CA 1.868 54.586 53.050 -0.554 0.000 0.703 169 N CB -1.546 36.435 38.487 -0.844 0.000 1.005 169 N HN 0.773 nan 8.380 nan 0.000 0.550 170 N N -1.877 116.764 118.700 -0.098 0.000 2.815 170 N HA -0.183 4.556 4.740 -0.002 0.000 0.247 170 N C -0.987 174.488 175.510 -0.060 0.000 1.030 170 N CA 1.748 54.770 53.050 -0.047 0.000 0.881 170 N CB -0.560 37.866 38.487 -0.101 0.000 1.134 170 N HN 0.562 nan 8.380 nan 0.000 0.582 171 D N -0.085 120.297 120.400 -0.030 0.000 2.228 171 D HA 0.479 5.118 4.640 -0.002 0.000 0.247 171 D C 0.612 176.836 176.300 -0.127 0.000 0.995 171 D CA -0.393 53.525 54.000 -0.135 0.000 0.903 171 D CB 1.267 41.944 40.800 -0.205 0.000 1.205 171 D HN 0.015 nan 8.370 nan 0.000 0.459 172 I N 1.490 121.788 120.570 -0.452 0.000 2.428 172 I HA 0.265 4.434 4.170 -0.002 0.000 0.296 172 I C -0.763 174.923 176.117 -0.719 0.000 0.985 172 I CA -0.540 60.487 61.300 -0.455 0.000 1.260 172 I CB 0.714 38.358 38.000 -0.593 0.000 1.389 172 I HN 0.183 nan 8.210 nan 0.000 0.484 173 Y N 3.781 123.721 120.300 -0.601 0.000 2.553 173 Y HA 0.631 5.179 4.550 -0.002 0.000 0.347 173 Y C -0.472 175.102 175.900 -0.543 0.000 1.019 173 Y CA -0.985 56.715 58.100 -0.667 0.000 1.032 173 Y CB 2.089 39.919 38.460 -1.051 0.000 1.284 173 Y HN 0.078 nan 8.280 nan 0.000 0.466 174 V N 2.494 122.347 119.914 -0.102 0.000 2.569 174 V HA 0.402 4.520 4.120 -0.002 0.000 0.301 174 V C -0.953 175.249 176.094 0.180 0.000 1.044 174 V CA -1.433 60.899 62.300 0.054 0.000 0.874 174 V CB 1.721 33.601 31.823 0.095 0.000 1.002 174 V HN 0.609 nan 8.190 nan 0.000 0.424 175 K N 4.623 125.120 120.400 0.162 0.000 2.240 175 K HA 0.490 4.809 4.320 -0.002 0.000 0.271 175 K C 0.625 177.315 176.600 0.151 0.000 1.018 175 K CA -0.729 55.646 56.287 0.146 0.000 0.874 175 K CB 1.655 34.194 32.500 0.065 0.000 1.098 175 K HN 0.415 nan 8.250 nan 0.000 0.458 176 I N 1.649 122.326 120.570 0.180 0.000 2.252 176 I HA -0.143 4.026 4.170 -0.002 0.000 0.245 176 I C 0.419 176.527 176.117 -0.015 0.000 1.102 176 I CA 1.576 62.950 61.300 0.122 0.000 1.385 176 I CB -0.621 37.467 38.000 0.148 0.000 1.064 176 I HN 0.641 nan 8.210 nan 0.000 0.414 177 E N 0.006 120.157 120.200 -0.082 0.000 2.314 177 E HA 0.252 4.601 4.350 -0.002 0.000 0.272 177 E C -2.085 174.382 176.600 -0.222 0.000 0.884 177 E CA -1.826 54.400 56.400 -0.291 0.000 0.753 177 E CB 1.991 31.533 29.700 -0.264 0.000 1.213 177 E HN -0.155 nan 8.360 nan 0.000 0.432 178 P HA -0.139 nan 4.420 nan 0.000 0.228 178 P C 0.555 177.777 177.300 -0.130 0.000 1.151 178 P CA 1.123 64.071 63.100 -0.254 0.000 0.770 178 P CB 0.106 31.540 31.700 -0.444 0.000 0.786 179 N N -1.884 116.757 118.700 -0.097 0.000 2.204 179 N HA 0.071 4.810 4.740 -0.002 0.000 0.219 179 N C -0.188 175.300 175.510 -0.037 0.000 1.151 179 N CA 0.056 53.083 53.050 -0.038 0.000 0.867 179 N CB -0.135 38.354 38.487 0.003 0.000 1.043 179 N HN 0.005 nan 8.380 nan 0.000 0.516 180 L N 0.980 122.173 121.223 -0.051 0.000 2.334 180 L HA 0.656 4.995 4.340 -0.002 0.000 0.270 180 L C -2.273 174.558 176.870 -0.065 0.000 1.018 180 L CA -2.363 52.450 54.840 -0.045 0.000 0.811 180 L CB 1.347 43.392 42.059 -0.024 0.000 1.271 180 L HN -0.121 nan 8.230 nan 0.000 0.443 181 P HA 0.135 nan 4.420 nan 0.000 0.269 181 P C -0.781 176.408 177.300 -0.185 0.000 1.209 181 P CA -0.310 62.708 63.100 -0.137 0.000 0.776 181 P CB 0.502 32.099 31.700 -0.172 0.000 0.876 182 S N 2.103 117.738 115.700 -0.109 0.000 2.601 182 S HA 0.361 4.830 4.470 -0.002 0.000 0.271 182 S C -0.856 173.667 174.600 -0.128 0.000 1.305 182 S CA -0.354 57.823 58.200 -0.039 0.000 1.022 182 S CB 0.063 63.313 63.200 0.085 0.000 0.940 182 S HN 0.249 nan 8.310 nan 0.000 0.525 183 Y N 0.967 121.277 120.300 0.016 0.000 2.341 183 Y HA 0.420 4.969 4.550 -0.002 0.000 0.340 183 Y C 0.874 176.689 175.900 -0.142 0.000 0.997 183 Y CA -0.672 57.416 58.100 -0.019 0.000 1.149 183 Y CB 1.019 39.472 38.460 -0.011 0.000 1.171 183 Y HN 0.693 nan 8.280 nan 0.000 0.494 184 R N 3.893 124.325 120.500 -0.113 0.000 2.267 184 R HA 0.217 4.556 4.340 -0.002 0.000 0.319 184 R C 0.117 176.120 176.300 -0.496 0.000 1.067 184 R CA -0.072 55.658 56.100 -0.617 0.000 0.936 184 R CB 0.321 30.063 30.300 -0.930 0.000 1.006 184 R HN 0.763 nan 8.270 nan 0.000 0.452 185 I N 2.281 122.489 120.570 -0.603 0.000 2.810 185 I HA -0.016 4.153 4.170 -0.002 0.000 0.262 185 I C 1.054 176.944 176.117 -0.379 0.000 1.131 185 I CA 0.916 61.992 61.300 -0.373 0.000 1.453 185 I CB -0.623 37.145 38.000 -0.387 0.000 1.161 185 I HN 0.630 nan 8.210 nan 0.000 0.444 186 T N -3.599 110.597 114.554 -0.597 0.000 2.912 186 T HA 0.387 4.736 4.350 -0.002 0.000 0.288 186 T C -0.433 173.928 174.700 -0.565 0.000 1.030 186 T CA -0.502 61.342 62.100 -0.427 0.000 1.020 186 T CB 1.941 70.571 68.868 -0.395 0.000 1.056 186 T HN 0.200 nan 8.240 nan 0.000 0.480 187 W N 0.175 121.373 121.300 -0.170 0.000 2.534 187 W HA 0.215 4.874 4.660 -0.002 0.000 0.339 187 W C 1.931 178.400 176.519 -0.083 0.000 0.961 187 W CA -0.139 57.138 57.345 -0.113 0.000 1.545 187 W CB 0.361 29.772 29.460 -0.081 0.000 1.104 187 W HN 0.905 nan 8.180 nan 0.000 0.538 188 T N -2.642 111.959 114.554 0.079 0.000 3.086 188 T HA 0.282 4.631 4.350 -0.002 0.000 0.250 188 T C 1.181 175.877 174.700 -0.006 0.000 1.074 188 T CA 0.140 62.269 62.100 0.047 0.000 0.988 188 T CB -0.148 68.746 68.868 0.043 0.000 0.988 188 T HN -0.010 nan 8.240 nan 0.000 0.530 189 G N 1.240 110.011 108.800 -0.048 0.000 2.305 189 G HA2 0.385 4.344 3.960 -0.002 0.000 0.243 189 G HA3 0.385 4.344 3.960 -0.002 0.000 0.243 189 G C -0.648 174.194 174.900 -0.096 0.000 1.288 189 G CA -0.437 44.612 45.100 -0.085 0.000 0.901 189 G HN 0.531 nan 8.290 nan 0.000 0.516 190 K N 1.863 122.179 120.400 -0.141 0.000 2.589 190 K HA 0.151 4.469 4.320 -0.002 0.000 0.253 190 K C -0.283 176.192 176.600 -0.209 0.000 0.974 190 K CA -0.647 55.556 56.287 -0.140 0.000 0.835 190 K CB 1.643 34.088 32.500 -0.090 0.000 1.272 190 K HN 0.639 nan 8.250 nan 0.000 0.444 191 E N 3.461 123.559 120.200 -0.169 0.000 2.652 191 E HA -0.165 4.184 4.350 -0.002 0.000 0.255 191 E C -0.497 176.008 176.600 -0.158 0.000 0.952 191 E CA 1.129 57.435 56.400 -0.158 0.000 0.947 191 E CB 0.268 29.913 29.700 -0.090 0.000 0.912 191 E HN 0.690 nan 8.360 nan 0.000 0.489 192 D N 2.087 122.372 120.400 -0.192 0.000 2.978 192 D HA -0.251 4.388 4.640 -0.002 0.000 0.205 192 D C 0.570 176.820 176.300 -0.083 0.000 1.093 192 D CA 1.530 55.513 54.000 -0.027 0.000 1.006 192 D CB -0.746 40.091 40.800 0.062 0.000 1.116 192 D HN 0.449 nan 8.370 nan 0.000 0.419 193 I N -0.540 119.873 120.570 -0.262 0.000 3.623 193 I HA 0.080 4.249 4.170 -0.002 0.000 0.253 193 I C 0.464 176.494 176.117 -0.145 0.000 1.144 193 I CA 0.188 61.419 61.300 -0.114 0.000 1.461 193 I CB 0.535 38.503 38.000 -0.054 0.000 1.575 193 I HN -0.138 nan 8.210 nan 0.000 0.445 194 I N 1.491 121.920 120.570 -0.235 0.000 2.355 194 I HA 0.235 4.404 4.170 -0.002 0.000 0.288 194 I C -1.310 174.689 176.117 -0.197 0.000 0.999 194 I CA -0.753 60.488 61.300 -0.099 0.000 1.163 194 I CB 0.346 38.335 38.000 -0.019 0.000 1.316 194 I HN 0.053 nan 8.210 nan 0.000 0.454 195 Y N 5.029 125.422 120.300 0.156 0.000 2.331 195 Y HA 0.406 4.955 4.550 -0.002 0.000 0.338 195 Y C 0.509 176.500 175.900 0.153 0.000 0.976 195 Y CA -0.693 57.499 58.100 0.152 0.000 1.137 195 Y CB 0.991 39.576 38.460 0.209 0.000 1.172 195 Y HN 0.405 nan 8.280 nan 0.000 0.478 196 N N 2.472 121.267 118.700 0.158 0.000 2.476 196 N HA 0.337 5.075 4.740 -0.002 0.000 0.257 196 N C 0.767 176.254 175.510 -0.039 0.000 0.970 196 N CA 0.374 53.454 53.050 0.051 0.000 0.938 196 N CB 1.782 40.189 38.487 -0.133 0.000 1.144 196 N HN 1.011 nan 8.380 nan 0.000 0.500 197 G N 1.599 110.416 108.800 0.029 0.000 2.176 197 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.253 197 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.253 197 G C 0.105 174.893 174.900 -0.187 0.000 0.979 197 G CA 0.601 45.643 45.100 -0.097 0.000 0.641 197 G HN 0.644 nan 8.290 nan 0.000 0.530 198 I N -1.695 118.805 120.570 -0.117 0.000 2.934 198 I HA 0.850 5.019 4.170 -0.002 0.000 0.306 198 I C 0.266 176.286 176.117 -0.162 0.000 1.110 198 I CA -0.681 60.398 61.300 -0.369 0.000 1.019 198 I CB 2.063 39.638 38.000 -0.708 0.000 1.227 198 I HN 0.185 nan 8.210 nan 0.000 0.434 199 T N -0.677 113.679 114.554 -0.330 0.000 2.928 199 T HA 0.394 4.743 4.350 -0.002 0.000 0.284 199 T C -0.211 174.098 174.700 -0.651 0.000 1.008 199 T CA -0.683 61.044 62.100 -0.621 0.000 1.057 199 T CB 1.373 69.962 68.868 -0.465 0.000 1.018 199 T HN 0.785 nan 8.240 nan 0.000 0.493 200 D N 0.649 120.437 120.400 -1.021 0.000 2.414 200 D HA 0.000 4.639 4.640 -0.002 0.000 0.259 200 D C 0.951 177.083 176.300 -0.281 0.000 1.269 200 D CA -1.022 52.463 54.000 -0.859 0.000 1.028 200 D CB 0.211 40.604 40.800 -0.679 0.000 1.093 200 D HN 0.735 nan 8.370 nan 0.000 0.545 201 W N 0.270 121.430 121.300 -0.233 0.000 2.335 201 W HA -0.221 4.438 4.660 -0.002 0.000 0.311 201 W C 2.130 178.483 176.519 -0.276 0.000 1.213 201 W CA 3.038 60.243 57.345 -0.234 0.000 1.274 201 W CB -0.364 28.909 29.460 -0.313 0.000 1.148 201 W HN 0.262 nan 8.180 nan 0.000 0.498 202 V N -2.228 117.701 119.914 0.024 0.000 2.548 202 V HA -0.238 3.881 4.120 -0.002 0.000 0.249 202 V C 1.799 177.654 176.094 -0.398 0.000 1.055 202 V CA 1.564 63.769 62.300 -0.159 0.000 1.065 202 V CB -1.618 30.118 31.823 -0.144 0.000 0.681 202 V HN 0.263 nan 8.190 nan 0.000 0.462 203 Y N 1.617 121.653 120.300 -0.441 0.000 2.145 203 Y HA -0.143 4.406 4.550 -0.002 0.000 0.286 203 Y C 2.879 178.490 175.900 -0.480 0.000 1.145 203 Y CA 2.449 60.197 58.100 -0.587 0.000 1.148 203 Y CB -0.312 37.585 38.460 -0.939 0.000 0.981 203 Y HN 0.385 nan 8.280 nan 0.000 0.507 204 E N 0.268 120.313 120.200 -0.259 0.000 2.070 204 E HA -0.331 4.018 4.350 -0.002 0.000 0.197 204 E C 2.031 178.530 176.600 -0.167 0.000 1.004 204 E CA 1.770 58.085 56.400 -0.141 0.000 0.805 204 E CB -0.076 29.566 29.700 -0.097 0.000 0.744 204 E HN 0.482 nan 8.360 nan 0.000 0.451 205 E N -0.083 119.832 120.200 -0.474 0.000 2.076 205 E HA -0.128 4.221 4.350 -0.002 0.000 0.190 205 E C 1.576 178.046 176.600 -0.217 0.000 0.979 205 E CA 1.408 57.524 56.400 -0.474 0.000 0.807 205 E CB 0.239 29.292 29.700 -1.079 0.000 0.761 205 E HN 0.224 nan 8.360 nan 0.000 0.454 206 E N -0.876 119.175 120.200 -0.248 0.000 2.465 206 E HA 0.117 4.466 4.350 -0.002 0.000 0.209 206 E C 1.573 178.076 176.600 -0.162 0.000 0.951 206 E CA 0.350 56.666 56.400 -0.140 0.000 0.997 206 E CB 1.216 30.820 29.700 -0.159 0.000 1.025 206 E HN 0.189 nan 8.360 nan 0.000 0.500 207 V N -0.006 119.769 119.914 -0.232 0.000 2.784 207 V HA 0.038 4.157 4.120 -0.002 0.000 0.231 207 V C 1.642 177.841 176.094 0.175 0.000 1.128 207 V CA 0.644 62.835 62.300 -0.181 0.000 1.178 207 V CB -0.372 31.134 31.823 -0.528 0.000 0.943 207 V HN 0.011 nan 8.190 nan 0.000 0.500 208 F N 0.828 120.811 119.950 0.056 0.000 2.569 208 F HA 0.281 4.807 4.527 -0.002 0.000 0.295 208 F C 1.601 177.381 175.800 -0.032 0.000 1.115 208 F CA 0.103 58.142 58.000 0.065 0.000 1.450 208 F CB -1.006 38.067 39.000 0.121 0.000 1.107 208 F HN 0.207 nan 8.300 nan 0.000 0.563 209 S N 0.006 115.764 115.700 0.096 0.000 3.749 209 S HA 0.108 4.577 4.470 -0.002 0.000 0.348 209 S C 0.061 174.305 174.600 -0.593 0.000 1.045 209 S CA 0.405 58.545 58.200 -0.101 0.000 1.051 209 S CB -1.813 61.373 63.200 -0.023 0.000 0.898 209 S HN 0.782 nan 8.310 nan 0.000 0.472 210 A N -0.609 122.024 122.820 -0.311 0.000 2.569 210 A HA 0.650 4.969 4.320 -0.002 0.000 0.292 210 A C -0.388 177.179 177.584 -0.029 0.000 1.032 210 A CA -0.413 51.455 52.037 -0.283 0.000 0.669 210 A CB 0.041 18.910 19.000 -0.218 0.000 1.290 210 A HN 0.438 nan 8.150 nan 0.000 0.422 211 Y N 1.209 121.352 120.300 -0.262 0.000 2.420 211 Y HA 0.221 4.770 4.550 -0.002 0.000 0.292 211 Y C 1.615 177.222 175.900 -0.488 0.000 1.119 211 Y CA 1.138 59.064 58.100 -0.291 0.000 1.229 211 Y CB 0.034 38.338 38.460 -0.261 0.000 1.026 211 Y HN 0.737 nan 8.280 nan 0.000 0.554 212 S N 0.368 115.566 115.700 -0.837 0.000 2.562 212 S HA 0.441 4.910 4.470 -0.002 0.000 0.281 212 S C 0.411 174.600 174.600 -0.685 0.000 1.333 212 S CA 0.204 57.696 58.200 -1.181 0.000 1.052 212 S CB 0.604 62.870 63.200 -1.557 0.000 0.884 212 S HN 0.410 nan 8.310 nan 0.000 0.506 213 A N 5.254 127.658 122.820 -0.692 0.000 2.585 213 A HA 0.483 4.802 4.320 -0.002 0.000 0.281 213 A C -0.496 176.539 177.584 -0.914 0.000 0.945 213 A CA -0.450 51.210 52.037 -0.628 0.000 1.031 213 A CB 0.008 19.062 19.000 0.090 0.000 1.221 213 A HN 0.696 nan 8.150 nan 0.000 0.496 214 L N 0.307 120.880 121.223 -1.084 0.000 2.365 214 L HA 0.616 4.955 4.340 -0.002 0.000 0.273 214 L C -1.098 175.344 176.870 -0.714 0.000 1.000 214 L CA -0.603 53.859 54.840 -0.628 0.000 0.819 214 L CB 1.843 43.722 42.059 -0.301 0.000 1.284 214 L HN 0.403 nan 8.230 nan 0.000 0.418 215 W N 2.230 123.570 121.300 0.067 0.000 2.728 215 W HA 0.223 4.882 4.660 -0.002 0.000 0.324 215 W C -1.181 175.506 176.519 0.279 0.000 1.012 215 W CA -1.089 56.391 57.345 0.226 0.000 1.279 215 W CB 1.321 30.965 29.460 0.307 0.000 1.289 215 W HN 0.487 nan 8.180 nan 0.000 0.418 216 W N 2.501 124.003 121.300 0.338 0.000 2.190 216 W HA 0.224 4.883 4.660 -0.002 0.000 0.330 216 W C 1.329 177.691 176.519 -0.262 0.000 1.299 216 W CA 0.345 57.756 57.345 0.109 0.000 1.215 216 W CB 0.817 30.319 29.460 0.070 0.000 1.147 216 W HN 0.193 nan 8.180 nan 0.000 0.563 217 S N 2.955 118.411 115.700 -0.407 0.000 2.585 217 S HA 0.183 4.652 4.470 -0.002 0.000 0.273 217 S C -1.741 172.614 174.600 -0.409 0.000 1.339 217 S CA -1.024 56.421 58.200 -1.258 0.000 1.028 217 S CB 1.317 63.800 63.200 -1.195 0.000 0.906 217 S HN 0.293 nan 8.310 nan 0.000 0.528 218 P HA -0.081 nan 4.420 nan 0.000 0.216 218 P C 1.456 178.711 177.300 -0.075 0.000 1.153 218 P CA 0.832 63.881 63.100 -0.085 0.000 0.848 218 P CB -0.133 31.562 31.700 -0.009 0.000 0.787 219 N N -0.013 118.633 118.700 -0.091 0.000 2.132 219 N HA -0.175 4.564 4.740 -0.002 0.000 0.191 219 N C 1.385 176.836 175.510 -0.099 0.000 1.015 219 N CA 2.074 55.076 53.050 -0.080 0.000 0.864 219 N CB -0.889 37.545 38.487 -0.088 0.000 1.006 219 N HN 0.205 nan 8.380 nan 0.000 0.430 220 G N -1.912 106.833 108.800 -0.092 0.000 2.147 220 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.244 220 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.244 220 G C 0.858 175.775 174.900 0.028 0.000 1.005 220 G CA 1.031 46.088 45.100 -0.072 0.000 0.713 220 G HN 0.449 nan 8.290 nan 0.000 0.515 221 T N -0.572 113.942 114.554 -0.067 0.000 3.021 221 T HA 0.379 4.727 4.350 -0.002 0.000 0.245 221 T C 0.679 175.211 174.700 -0.280 0.000 1.028 221 T CA 0.705 62.657 62.100 -0.248 0.000 1.139 221 T CB 0.062 68.603 68.868 -0.544 0.000 0.884 221 T HN 0.245 nan 8.240 nan 0.000 0.457 222 F N 0.915 120.916 119.950 0.085 0.000 2.425 222 F HA 0.571 5.097 4.527 -0.002 0.000 0.331 222 F C -0.055 175.805 175.800 0.101 0.000 1.085 222 F CA -1.423 56.652 58.000 0.125 0.000 1.028 222 F CB 0.925 40.070 39.000 0.241 0.000 1.177 222 F HN -0.106 nan 8.300 nan 0.000 0.487 223 L N 2.762 124.102 121.223 0.196 0.000 2.316 223 L HA 0.672 5.011 4.340 -0.002 0.000 0.280 223 L C -0.619 176.324 176.870 0.121 0.000 1.006 223 L CA -0.606 54.171 54.840 -0.106 0.000 0.836 223 L CB 0.910 42.697 42.059 -0.454 0.000 1.221 223 L HN 0.805 nan 8.230 nan 0.000 0.418 224 A N 4.801 127.762 122.820 0.236 0.000 2.304 224 A HA 0.701 5.020 4.320 -0.002 0.000 0.301 224 A C -1.258 176.384 177.584 0.097 0.000 1.132 224 A CA -0.228 51.821 52.037 0.020 0.000 0.819 224 A CB 0.756 19.842 19.000 0.143 0.000 1.094 224 A HN 0.708 nan 8.150 nan 0.000 0.492 225 Y N -1.736 118.378 120.300 -0.310 0.000 2.609 225 Y HA 0.742 5.291 4.550 -0.002 0.000 0.336 225 Y C -0.344 175.472 175.900 -0.140 0.000 1.129 225 Y CA -0.939 57.105 58.100 -0.093 0.000 1.040 225 Y CB 0.838 39.221 38.460 -0.129 0.000 1.310 225 Y HN 0.911 nan 8.280 nan 0.000 0.460 226 A N 2.094 125.089 122.820 0.292 0.000 2.320 226 A HA 0.672 4.990 4.320 -0.002 0.000 0.334 226 A C -1.124 176.478 177.584 0.029 0.000 1.147 226 A CA -0.849 51.232 52.037 0.073 0.000 0.820 226 A CB 1.665 20.678 19.000 0.022 0.000 1.218 226 A HN 0.805 nan 8.150 nan 0.000 0.482 227 Q N 1.082 120.803 119.800 -0.132 0.000 2.330 227 Q HA 0.591 4.929 4.340 -0.002 0.000 0.269 227 Q C -2.026 173.826 176.000 -0.246 0.000 1.022 227 Q CA -0.346 55.465 55.803 0.012 0.000 0.796 227 Q CB 1.000 29.921 28.738 0.306 0.000 1.271 227 Q HN 0.604 nan 8.270 nan 0.000 0.450 228 F N 2.265 122.317 119.950 0.170 0.000 2.443 228 F HA 0.412 4.938 4.527 -0.002 0.000 0.335 228 F C 0.468 176.418 175.800 0.250 0.000 1.104 228 F CA -0.914 57.174 58.000 0.146 0.000 1.013 228 F CB 1.298 40.327 39.000 0.049 0.000 1.136 228 F HN 0.420 nan 8.300 nan 0.000 0.470 229 N N 1.878 120.791 118.700 0.354 0.000 2.446 229 N HA 0.215 4.954 4.740 -0.002 0.000 0.265 229 N C -0.928 174.745 175.510 0.271 0.000 0.975 229 N CA -0.283 52.924 53.050 0.261 0.000 0.928 229 N CB 1.168 39.757 38.487 0.169 0.000 1.160 229 N HN 0.577 nan 8.380 nan 0.000 0.495 230 D N 1.371 121.938 120.400 0.278 0.000 2.462 230 D HA 0.146 4.785 4.640 -0.002 0.000 0.221 230 D C 1.200 177.594 176.300 0.158 0.000 1.173 230 D CA 0.086 54.238 54.000 0.253 0.000 0.831 230 D CB 0.576 41.599 40.800 0.372 0.000 1.001 230 D HN 0.455 nan 8.370 nan 0.000 0.499 231 T N 0.458 115.083 114.554 0.119 0.000 2.649 231 T HA -0.217 4.132 4.350 -0.002 0.000 0.268 231 T C 1.171 175.913 174.700 0.070 0.000 1.036 231 T CA 1.401 63.548 62.100 0.078 0.000 1.157 231 T CB -0.044 68.862 68.868 0.063 0.000 0.861 231 T HN 0.316 nan 8.240 nan 0.000 0.445 232 E N 0.392 120.636 120.200 0.075 0.000 2.499 232 E HA 0.204 4.553 4.350 -0.002 0.000 0.199 232 E C -0.629 176.012 176.600 0.068 0.000 1.016 232 E CA -0.249 56.187 56.400 0.060 0.000 0.933 232 E CB 0.672 30.401 29.700 0.049 0.000 1.050 232 E HN 0.207 nan 8.360 nan 0.000 0.462 233 V N 3.362 123.330 119.914 0.089 0.000 2.488 233 V HA 0.134 4.253 4.120 -0.002 0.000 0.277 233 V C -1.945 174.197 176.094 0.080 0.000 1.046 233 V CA -1.643 60.714 62.300 0.094 0.000 0.986 233 V CB 0.378 32.277 31.823 0.126 0.000 0.989 233 V HN 0.059 nan 8.190 nan 0.000 0.475 234 P HA 0.281 nan 4.420 nan 0.000 0.272 234 P C -0.754 176.575 177.300 0.049 0.000 1.240 234 P CA -0.304 62.827 63.100 0.051 0.000 0.791 234 P CB 0.528 32.258 31.700 0.049 0.000 0.978 235 L N 1.285 122.515 121.223 0.010 0.000 2.317 235 L HA 0.467 4.806 4.340 -0.002 0.000 0.281 235 L C 0.231 177.047 176.870 -0.089 0.000 1.024 235 L CA -1.046 53.781 54.840 -0.023 0.000 0.810 235 L CB 1.177 43.215 42.059 -0.035 0.000 1.240 235 L HN 0.271 nan 8.230 nan 0.000 0.427 236 I N 2.426 122.895 120.570 -0.168 0.000 2.396 236 I HA 0.252 4.421 4.170 -0.002 0.000 0.292 236 I C -0.318 175.634 176.117 -0.275 0.000 0.999 236 I CA 0.092 61.199 61.300 -0.323 0.000 1.310 236 I CB 0.885 38.451 38.000 -0.723 0.000 1.404 236 I HN 0.557 nan 8.210 nan 0.000 0.496 237 E N 7.531 127.591 120.200 -0.234 0.000 2.234 237 E HA 0.483 4.832 4.350 -0.002 0.000 0.266 237 E C -1.779 174.740 176.600 -0.135 0.000 0.877 237 E CA -0.564 55.698 56.400 -0.229 0.000 0.758 237 E CB 2.122 31.727 29.700 -0.158 0.000 1.170 237 E HN 0.561 nan 8.360 nan 0.000 0.415 238 Y N -1.813 118.392 120.300 -0.158 0.000 2.609 238 Y HA 0.516 5.065 4.550 -0.002 0.000 0.336 238 Y C -0.657 175.161 175.900 -0.138 0.000 1.129 238 Y CA -1.272 56.739 58.100 -0.148 0.000 1.040 238 Y CB 0.805 39.178 38.460 -0.144 0.000 1.310 238 Y HN 0.184 nan 8.280 nan 0.000 0.460 239 S N 1.923 117.621 115.700 -0.004 0.000 2.565 239 S HA 0.468 4.937 4.470 -0.002 0.000 0.274 239 S C -1.389 173.064 174.600 -0.245 0.000 1.309 239 S CA -0.339 57.713 58.200 -0.247 0.000 1.043 239 S CB 0.264 63.179 63.200 -0.475 0.000 0.939 239 S HN 0.521 nan 8.310 nan 0.000 0.504 240 F N 2.807 122.511 119.950 -0.410 0.000 2.477 240 F HA 0.461 4.986 4.527 -0.002 0.000 0.335 240 F C -0.357 175.237 175.800 -0.343 0.000 1.130 240 F CA -1.010 56.811 58.000 -0.297 0.000 0.948 240 F CB 0.748 39.717 39.000 -0.051 0.000 1.154 240 F HN 0.620 nan 8.300 nan 0.000 0.439 241 Y N 2.828 122.827 120.300 -0.502 0.000 2.397 241 Y HA 0.157 4.706 4.550 -0.002 0.000 0.292 241 Y C 1.778 177.466 175.900 -0.353 0.000 1.115 241 Y CA 1.056 58.961 58.100 -0.325 0.000 1.208 241 Y CB -0.695 37.613 38.460 -0.253 0.000 1.046 241 Y HN 0.754 nan 8.280 nan 0.000 0.552 242 S N -0.468 114.882 115.700 -0.584 0.000 3.598 242 S HA -0.283 4.186 4.470 -0.002 0.000 0.633 242 S C -0.352 174.195 174.600 -0.087 0.000 2.409 242 S CA 0.298 58.337 58.200 -0.268 0.000 2.818 242 S CB -1.536 61.689 63.200 0.042 0.000 0.322 242 S HN 0.483 nan 8.310 nan 0.000 1.609 243 D N 1.155 121.561 120.400 0.009 0.000 2.357 243 D HA 0.337 4.976 4.640 -0.002 0.000 0.242 243 D C 1.372 177.673 176.300 0.001 0.000 1.153 243 D CA 0.575 54.583 54.000 0.014 0.000 0.918 243 D CB 0.433 41.254 40.800 0.035 0.000 1.181 243 D HN 0.513 nan 8.370 nan 0.000 0.435 244 E N 0.147 120.344 120.200 -0.005 0.000 2.187 244 E HA -0.256 4.093 4.350 -0.002 0.000 0.199 244 E C 1.422 178.015 176.600 -0.011 0.000 1.004 244 E CA 1.341 57.732 56.400 -0.015 0.000 0.813 244 E CB 0.111 29.803 29.700 -0.014 0.000 0.736 244 E HN 0.489 nan 8.360 nan 0.000 0.468 245 S N -0.148 115.553 115.700 0.002 0.000 2.489 245 S HA -0.010 4.459 4.470 -0.002 0.000 0.228 245 S C 1.069 175.676 174.600 0.011 0.000 0.995 245 S CA -0.148 58.055 58.200 0.005 0.000 0.934 245 S CB 0.001 63.210 63.200 0.015 0.000 0.771 245 S HN 0.206 nan 8.310 nan 0.000 0.522 246 L N 2.730 123.964 121.223 0.019 0.000 2.485 246 L HA 0.133 4.472 4.340 -0.002 0.000 0.279 246 L C 1.621 178.500 176.870 0.015 0.000 1.124 246 L CA 0.062 54.925 54.840 0.038 0.000 0.888 246 L CB 0.829 42.920 42.059 0.054 0.000 1.217 246 L HN 0.470 nan 8.230 nan 0.000 0.464 247 Q N 4.448 124.255 119.800 0.011 0.000 2.030 247 Q HA -0.158 4.181 4.340 -0.002 0.000 0.204 247 Q C -0.515 175.366 176.000 -0.198 0.000 0.986 247 Q CA 1.716 57.463 55.803 -0.093 0.000 0.843 247 Q CB 0.085 28.780 28.738 -0.070 0.000 0.904 247 Q HN 0.596 nan 8.270 nan 0.000 0.420 248 Y N 0.847 121.158 120.300 0.020 0.000 2.331 248 Y HA 0.371 4.920 4.550 -0.002 0.000 0.338 248 Y C -2.020 173.897 175.900 0.029 0.000 0.992 248 Y CA -3.029 55.084 58.100 0.021 0.000 1.121 248 Y CB 1.159 39.625 38.460 0.010 0.000 1.184 248 Y HN 0.211 nan 8.280 nan 0.000 0.469 249 P HA -0.020 nan 4.420 nan 0.000 0.265 249 P C -0.595 176.741 177.300 0.060 0.000 1.187 249 P CA -0.272 62.889 63.100 0.102 0.000 0.766 249 P CB 0.694 32.468 31.700 0.123 0.000 0.820 250 K N 1.505 121.924 120.400 0.031 0.000 2.118 250 K HA 0.333 4.652 4.320 -0.002 0.000 0.267 250 K C -0.553 176.029 176.600 -0.030 0.000 0.991 250 K CA -0.345 55.962 56.287 0.034 0.000 0.916 250 K CB 0.530 33.090 32.500 0.099 0.000 1.041 250 K HN 0.321 nan 8.250 nan 0.000 0.455 251 T N 2.990 117.507 114.554 -0.061 0.000 2.749 251 T HA 0.227 4.576 4.350 -0.002 0.000 0.287 251 T C -0.677 173.910 174.700 -0.189 0.000 0.970 251 T CA -0.600 61.424 62.100 -0.127 0.000 0.980 251 T CB 1.004 69.805 68.868 -0.110 0.000 0.924 251 T HN 0.276 nan 8.240 nan 0.000 0.456 252 V N 5.833 125.537 119.914 -0.351 0.000 2.498 252 V HA 0.416 4.534 4.120 -0.002 0.000 0.279 252 V C 0.407 176.212 176.094 -0.481 0.000 1.048 252 V CA -0.433 61.583 62.300 -0.473 0.000 0.967 252 V CB 0.817 32.153 31.823 -0.813 0.000 0.988 252 V HN 0.714 nan 8.190 nan 0.000 0.473 253 R N 3.731 124.076 120.500 -0.259 0.000 2.451 253 R HA 0.685 5.023 4.340 -0.002 0.000 0.307 253 R C -1.685 174.575 176.300 -0.067 0.000 0.965 253 R CA -0.587 55.408 56.100 -0.175 0.000 0.865 253 R CB 2.134 32.369 30.300 -0.108 0.000 1.174 253 R HN 0.500 nan 8.270 nan 0.000 0.455 254 V N 3.984 123.857 119.914 -0.069 0.000 2.443 254 V HA 0.309 4.428 4.120 -0.002 0.000 0.293 254 V C -2.314 173.806 176.094 0.044 0.000 1.021 254 V CA -2.543 59.780 62.300 0.038 0.000 0.848 254 V CB 1.932 33.738 31.823 -0.028 0.000 0.998 254 V HN 0.594 nan 8.190 nan 0.000 0.424 255 P HA 0.096 nan 4.420 nan 0.000 0.260 255 P C -1.263 176.122 177.300 0.142 0.000 1.185 255 P CA 0.506 63.692 63.100 0.142 0.000 0.763 255 P CB -0.147 31.682 31.700 0.216 0.000 0.776 256 Y N 6.121 126.384 120.300 -0.062 0.000 2.323 256 Y HA 0.398 4.947 4.550 -0.002 0.000 0.322 256 Y C -2.870 172.992 175.900 -0.063 0.000 1.133 256 Y CA -2.618 55.396 58.100 -0.142 0.000 1.093 256 Y CB 1.938 40.199 38.460 -0.331 0.000 1.203 256 Y HN 0.272 nan 8.280 nan 0.000 0.427 257 P HA 0.354 nan 4.420 nan 0.000 0.297 257 P C -1.158 176.189 177.300 0.078 0.000 1.331 257 P CA -0.437 62.701 63.100 0.064 0.000 0.803 257 P CB 1.906 33.620 31.700 0.023 0.000 0.929 258 K N 1.750 122.277 120.400 0.210 0.000 2.127 258 K HA 0.563 4.882 4.320 -0.002 0.000 0.240 258 K C 0.461 177.158 176.600 0.161 0.000 1.024 258 K CA -0.806 55.621 56.287 0.234 0.000 0.918 258 K CB 0.566 33.227 32.500 0.268 0.000 1.108 258 K HN 0.464 nan 8.250 nan 0.000 0.485 259 A N 0.641 123.586 122.820 0.207 0.000 2.591 259 A HA 0.221 4.540 4.320 -0.002 0.000 0.244 259 A C 1.204 178.830 177.584 0.071 0.000 1.031 259 A CA 1.155 53.304 52.037 0.187 0.000 0.767 259 A CB -1.352 17.843 19.000 0.324 0.000 0.942 259 A HN 0.917 nan 8.150 nan 0.000 0.514 260 G N 0.844 109.672 108.800 0.048 0.000 2.179 260 G HA2 0.112 4.071 3.960 -0.002 0.000 0.260 260 G HA3 0.112 4.071 3.960 -0.002 0.000 0.260 260 G C 0.638 175.549 174.900 0.018 0.000 0.977 260 G CA 0.868 45.968 45.100 0.001 0.000 0.641 260 G HN 2.210 nan 8.290 nan 0.000 0.533 261 A N -0.594 122.253 122.820 0.046 0.000 2.240 261 A HA 0.814 5.133 4.320 -0.002 0.000 0.292 261 A C 0.779 178.391 177.584 0.046 0.000 1.121 261 A CA 0.195 52.261 52.037 0.048 0.000 0.851 261 A CB 0.861 19.904 19.000 0.071 0.000 1.167 261 A HN 1.115 nan 8.150 nan 0.000 0.503 262 V N 1.975 121.916 119.914 0.045 0.000 2.655 262 V HA 0.053 4.172 4.120 -0.002 0.000 0.300 262 V C 0.288 176.417 176.094 0.059 0.000 1.044 262 V CA -0.077 62.249 62.300 0.043 0.000 1.095 262 V CB 0.379 32.228 31.823 0.043 0.000 0.952 262 V HN 0.820 nan 8.190 nan 0.000 0.485 263 N N 5.376 124.110 118.700 0.056 0.000 2.489 263 N HA 0.492 5.231 4.740 -0.002 0.000 0.284 263 N C -2.424 173.155 175.510 0.116 0.000 1.158 263 N CA -1.498 51.603 53.050 0.086 0.000 0.965 263 N CB 1.199 39.730 38.487 0.073 0.000 1.195 263 N HN 0.394 nan 8.380 nan 0.000 0.506 264 P HA 0.081 nan 4.420 nan 0.000 0.270 264 P C -0.416 177.024 177.300 0.232 0.000 1.223 264 P CA -0.079 63.168 63.100 0.245 0.000 0.785 264 P CB 0.318 32.231 31.700 0.354 0.000 0.923 265 T N -2.120 112.557 114.554 0.205 0.000 2.949 265 T HA 0.614 4.963 4.350 -0.002 0.000 0.287 265 T C -0.456 174.335 174.700 0.151 0.000 1.034 265 T CA -0.903 61.274 62.100 0.128 0.000 1.018 265 T CB 1.524 70.432 68.868 0.067 0.000 1.135 265 T HN 0.332 nan 8.240 nan 0.000 0.532 266 V N 0.530 120.486 119.914 0.071 0.000 2.760 266 V HA 0.666 4.785 4.120 -0.002 0.000 0.309 266 V C -1.403 174.695 176.094 0.006 0.000 1.077 266 V CA -0.793 61.476 62.300 -0.050 0.000 0.910 266 V CB 1.956 33.736 31.823 -0.071 0.000 1.008 266 V HN 1.017 nan 8.190 nan 0.000 0.424 267 K N 4.800 125.148 120.400 -0.085 0.000 2.281 267 K HA 0.622 4.941 4.320 -0.002 0.000 0.242 267 K C -1.754 174.709 176.600 -0.228 0.000 0.971 267 K CA -0.566 55.629 56.287 -0.153 0.000 0.834 267 K CB 2.689 35.064 32.500 -0.209 0.000 1.181 267 K HN 0.555 nan 8.250 nan 0.000 0.435 268 F N 1.956 121.571 119.950 -0.559 0.000 2.529 268 F HA 0.534 5.060 4.527 -0.002 0.000 0.320 268 F C -1.463 173.811 175.800 -0.877 0.000 1.118 268 F CA -0.700 56.974 58.000 -0.543 0.000 0.915 268 F CB 0.851 39.678 39.000 -0.289 0.000 1.161 268 F HN 0.372 nan 8.300 nan 0.000 0.445 269 F N 3.680 122.914 119.950 -1.195 0.000 2.640 269 F HA 0.810 5.336 4.527 -0.002 0.000 0.324 269 F C -0.931 174.219 175.800 -1.084 0.000 1.077 269 F CA -1.168 56.238 58.000 -0.989 0.000 0.965 269 F CB 2.117 40.432 39.000 -1.142 0.000 1.351 269 F HN 0.133 nan 8.300 nan 0.000 0.487 270 V N 2.075 121.769 119.914 -0.367 0.000 2.733 270 V HA 0.590 4.709 4.120 -0.002 0.000 0.306 270 V C -1.069 175.078 176.094 0.088 0.000 1.084 270 V CA -0.785 61.370 62.300 -0.242 0.000 0.905 270 V CB 1.943 33.462 31.823 -0.507 0.000 1.010 270 V HN 0.533 nan 8.190 nan 0.000 0.424 271 V N 3.035 123.071 119.914 0.203 0.000 2.715 271 V HA 0.521 4.640 4.120 -0.002 0.000 0.310 271 V C -0.133 176.189 176.094 0.379 0.000 1.054 271 V CA -0.817 61.639 62.300 0.259 0.000 0.928 271 V CB 2.238 34.165 31.823 0.173 0.000 1.007 271 V HN 0.853 nan 8.190 nan 0.000 0.437 272 N N 1.974 120.871 118.700 0.329 0.000 2.462 272 N HA 0.181 4.920 4.740 -0.002 0.000 0.242 272 N C 0.870 176.400 175.510 0.035 0.000 1.010 272 N CA 0.022 53.193 53.050 0.201 0.000 0.939 272 N CB 1.621 40.230 38.487 0.203 0.000 1.127 272 N HN 0.711 nan 8.380 nan 0.000 0.509 273 T N 1.612 116.166 114.554 0.000 0.000 2.915 273 T HA -0.072 4.277 4.350 -0.002 0.000 0.269 273 T C 0.713 175.373 174.700 -0.066 0.000 1.071 273 T CA 0.874 62.973 62.100 -0.002 0.000 1.132 273 T CB 0.118 69.075 68.868 0.149 0.000 0.878 273 T HN 0.473 nan 8.240 nan 0.000 0.479 274 D N 1.870 122.215 120.400 -0.091 0.000 2.218 274 D HA -0.036 4.603 4.640 -0.002 0.000 0.204 274 D C 1.331 177.586 176.300 -0.075 0.000 0.976 274 D CA 0.830 54.779 54.000 -0.084 0.000 0.853 274 D CB -0.190 40.547 40.800 -0.105 0.000 0.939 274 D HN 0.471 nan 8.370 nan 0.000 0.481 275 S N 0.397 116.057 115.700 -0.067 0.000 2.912 275 S HA 0.437 4.906 4.470 -0.002 0.000 0.184 275 S C -0.056 174.495 174.600 -0.082 0.000 1.390 275 S CA -0.713 57.461 58.200 -0.043 0.000 1.088 275 S CB -0.253 62.955 63.200 0.014 0.000 1.284 275 S HN 0.016 nan 8.310 nan 0.000 0.502 276 L N 1.708 122.817 121.223 -0.191 0.000 2.333 276 L HA 0.576 4.915 4.340 -0.002 0.000 0.280 276 L C 0.182 176.926 176.870 -0.211 0.000 1.004 276 L CA -0.550 54.092 54.840 -0.330 0.000 0.820 276 L CB 2.045 43.603 42.059 -0.835 0.000 1.247 276 L HN 0.468 nan 8.230 nan 0.000 0.416 277 S N 0.622 116.322 115.700 0.000 0.000 2.541 277 S HA 0.238 4.707 4.470 -0.002 0.000 0.283 277 S C 1.046 175.863 174.600 0.361 0.000 1.196 277 S CA -0.536 57.754 58.200 0.151 0.000 1.062 277 S CB 1.617 64.881 63.200 0.108 0.000 1.009 277 S HN 0.647 nan 8.310 nan 0.000 0.502 278 S N 2.896 118.799 115.700 0.339 0.000 2.423 278 S HA -0.067 4.402 4.470 -0.002 0.000 0.231 278 S C 1.602 176.294 174.600 0.154 0.000 1.014 278 S CA 0.992 59.331 58.200 0.232 0.000 0.965 278 S CB -0.087 63.188 63.200 0.126 0.000 0.785 278 S HN 0.605 nan 8.310 nan 0.000 0.495 279 V N 0.706 120.701 119.914 0.135 0.000 2.492 279 V HA 0.052 4.171 4.120 -0.002 0.000 0.241 279 V C 0.999 177.150 176.094 0.095 0.000 1.041 279 V CA 0.916 63.273 62.300 0.095 0.000 1.057 279 V CB -0.520 31.345 31.823 0.070 0.000 0.711 279 V HN 0.354 nan 8.190 nan 0.000 0.468 280 T N 0.823 115.438 114.554 0.102 0.000 2.922 280 T HA 0.302 4.651 4.350 -0.002 0.000 0.285 280 T C 0.004 174.778 174.700 0.122 0.000 1.005 280 T CA -0.483 61.669 62.100 0.086 0.000 1.061 280 T CB 0.802 69.710 68.868 0.067 0.000 1.007 280 T HN 0.145 nan 8.240 nan 0.000 0.502 281 N N 0.984 119.746 118.700 0.102 0.000 2.371 281 N HA 0.355 5.094 4.740 -0.002 0.000 0.243 281 N C -0.138 175.453 175.510 0.135 0.000 1.287 281 N CA -0.244 52.899 53.050 0.154 0.000 0.911 281 N CB 0.316 38.862 38.487 0.099 0.000 1.142 281 N HN 0.811 nan 8.380 nan 0.000 0.451 282 A N 0.591 123.505 122.820 0.157 0.000 2.320 282 A HA 0.341 4.660 4.320 -0.002 0.000 0.287 282 A C -0.113 177.522 177.584 0.086 0.000 1.181 282 A CA -0.400 51.694 52.037 0.095 0.000 0.831 282 A CB -0.118 18.916 19.000 0.058 0.000 1.102 282 A HN 0.520 nan 8.150 nan 0.000 0.513 283 T N 2.887 117.492 114.554 0.084 0.000 2.747 283 T HA 0.341 4.690 4.350 -0.002 0.000 0.301 283 T C 0.258 175.021 174.700 0.106 0.000 0.952 283 T CA -0.018 62.135 62.100 0.089 0.000 0.983 283 T CB 0.358 69.286 68.868 0.100 0.000 0.930 283 T HN 0.507 nan 8.240 nan 0.000 0.494 284 S N 4.057 119.798 115.700 0.068 0.000 2.475 284 S HA 0.384 4.853 4.470 -0.002 0.000 0.281 284 S C 0.357 175.063 174.600 0.177 0.000 1.198 284 S CA -0.838 57.407 58.200 0.075 0.000 1.063 284 S CB 0.321 63.437 63.200 -0.140 0.000 0.972 284 S HN 0.490 nan 8.310 nan 0.000 0.486 285 I N 3.294 124.004 120.570 0.234 0.000 2.342 285 I HA 0.274 4.443 4.170 -0.002 0.000 0.291 285 I C 0.555 176.826 176.117 0.255 0.000 1.010 285 I CA -0.245 61.214 61.300 0.266 0.000 1.308 285 I CB 0.962 39.168 38.000 0.343 0.000 1.400 285 I HN 0.668 nan 8.210 nan 0.000 0.488 286 Q N 6.025 125.958 119.800 0.222 0.000 2.230 286 Q HA 0.579 4.918 4.340 -0.002 0.000 0.248 286 Q C -1.248 174.723 176.000 -0.049 0.000 0.915 286 Q CA -0.532 55.246 55.803 -0.041 0.000 0.900 286 Q CB 1.608 30.295 28.738 -0.084 0.000 1.229 286 Q HN 0.574 nan 8.270 nan 0.000 0.439 287 I N 3.488 123.991 120.570 -0.111 0.000 2.420 287 I HA 0.213 4.381 4.170 -0.002 0.000 0.282 287 I C 0.068 176.167 176.117 -0.029 0.000 1.019 287 I CA -0.758 60.540 61.300 -0.003 0.000 1.130 287 I CB 1.703 39.745 38.000 0.071 0.000 1.262 287 I HN 0.695 nan 8.210 nan 0.000 0.454 288 T N 2.795 117.299 114.554 -0.084 0.000 2.868 288 T HA 0.633 4.981 4.350 -0.002 0.000 0.292 288 T C 0.459 174.964 174.700 -0.325 0.000 1.028 288 T CA -0.746 61.251 62.100 -0.173 0.000 1.059 288 T CB 1.518 70.290 68.868 -0.160 0.000 0.991 288 T HN 0.566 nan 8.240 nan 0.000 0.531 289 A N 2.764 125.187 122.820 -0.661 0.000 2.296 289 A HA 0.610 4.929 4.320 -0.002 0.000 0.264 289 A C -2.183 174.913 177.584 -0.814 0.000 1.097 289 A CA -1.667 49.561 52.037 -1.349 0.000 0.811 289 A CB -0.891 16.911 19.000 -1.997 0.000 1.072 289 A HN 0.733 nan 8.150 nan 0.000 0.495 290 P HA 0.162 nan 4.420 nan 0.000 0.268 290 P C 0.698 177.775 177.300 -0.371 0.000 1.208 290 P CA 0.714 63.559 63.100 -0.425 0.000 0.777 290 P CB 0.565 32.072 31.700 -0.322 0.000 0.875 291 A N 2.216 124.894 122.820 -0.236 0.000 1.978 291 A HA -0.186 4.133 4.320 -0.002 0.000 0.220 291 A C 2.001 179.474 177.584 -0.186 0.000 1.170 291 A CA 2.203 54.124 52.037 -0.193 0.000 0.636 291 A CB -1.689 17.233 19.000 -0.131 0.000 0.810 291 A HN 0.616 nan 8.150 nan 0.000 0.448 292 S N -1.400 114.208 115.700 -0.154 0.000 2.507 292 S HA -0.025 4.444 4.470 -0.002 0.000 0.235 292 S C 1.622 176.134 174.600 -0.147 0.000 0.988 292 S CA 1.290 59.421 58.200 -0.115 0.000 0.944 292 S CB -0.207 62.988 63.200 -0.008 0.000 0.762 292 S HN 0.399 nan 8.310 nan 0.000 0.526 293 M N 0.179 119.614 119.600 -0.276 0.000 2.552 293 M HA 0.355 4.834 4.480 -0.002 0.000 0.264 293 M C 1.578 177.578 176.300 -0.500 0.000 1.159 293 M CA 0.459 55.504 55.300 -0.425 0.000 1.176 293 M CB -1.235 30.929 32.600 -0.728 0.000 1.327 293 M HN 0.308 nan 8.290 nan 0.000 0.481 294 L N 1.603 122.559 121.223 -0.446 0.000 2.349 294 L HA -0.125 4.213 4.340 -0.002 0.000 0.220 294 L C 2.271 179.072 176.870 -0.116 0.000 1.130 294 L CA 1.265 55.942 54.840 -0.271 0.000 0.791 294 L CB -1.082 40.838 42.059 -0.231 0.000 0.918 294 L HN 0.337 nan 8.230 nan 0.000 0.444 295 I N -4.061 116.439 120.570 -0.116 0.000 2.756 295 I HA 0.193 4.362 4.170 -0.002 0.000 0.262 295 I C 1.064 177.160 176.117 -0.034 0.000 1.225 295 I CA 0.621 61.878 61.300 -0.072 0.000 1.472 295 I CB -0.534 37.414 38.000 -0.086 0.000 1.094 295 I HN 0.132 nan 8.210 nan 0.000 0.454 296 G N 0.136 108.939 108.800 0.005 0.000 2.634 296 G HA2 0.259 4.218 3.960 -0.002 0.000 0.309 296 G HA3 0.259 4.218 3.960 -0.002 0.000 0.309 296 G C -1.886 173.083 174.900 0.116 0.000 1.299 296 G CA -0.635 44.483 45.100 0.031 0.000 0.798 296 G HN 0.050 nan 8.290 nan 0.000 0.490 297 D N 1.440 121.842 120.400 0.005 0.000 2.458 297 D HA 0.434 5.073 4.640 -0.002 0.000 0.243 297 D C 0.409 176.633 176.300 -0.126 0.000 1.146 297 D CA 0.824 54.752 54.000 -0.120 0.000 0.877 297 D CB 0.327 41.031 40.800 -0.160 0.000 1.176 297 D HN 0.536 nan 8.370 nan 0.000 0.461 298 H N -0.419 118.492 119.070 -0.265 0.000 2.990 298 H HA 0.423 4.978 4.556 -0.002 0.000 0.336 298 H C -1.318 173.853 175.328 -0.262 0.000 1.306 298 H CA -0.873 55.021 56.048 -0.255 0.000 1.118 298 H CB 0.207 29.970 29.762 0.001 0.000 1.856 298 H HN 0.299 nan 8.280 nan 0.000 0.538 299 Y N 0.054 120.566 120.300 0.353 0.000 2.524 299 Y HA 0.353 4.901 4.550 -0.002 0.000 0.344 299 Y C 0.148 176.324 175.900 0.460 0.000 1.012 299 Y CA -1.263 57.047 58.100 0.350 0.000 1.068 299 Y CB 2.144 40.674 38.460 0.117 0.000 1.249 299 Y HN 0.398 nan 8.280 nan 0.000 0.468 300 L N 3.945 125.495 121.223 0.545 0.000 2.261 300 L HA 0.252 4.591 4.340 -0.002 0.000 0.289 300 L C 0.307 177.341 176.870 0.274 0.000 1.059 300 L CA -0.142 54.703 54.840 0.009 0.000 0.816 300 L CB 0.320 42.242 42.059 -0.227 0.000 1.191 300 L HN 1.140 nan 8.230 nan 0.000 0.431 301 C N 1.481 120.847 119.300 0.110 0.000 3.183 301 C HA 0.457 4.915 4.460 -0.002 0.000 0.285 301 C C 0.315 175.411 174.990 0.178 0.000 1.313 301 C CA -0.523 58.660 59.018 0.277 0.000 1.711 301 C CB -0.250 27.585 27.740 0.158 0.000 2.135 301 C HN 0.842 nan 8.230 nan 0.000 0.651 302 D N -0.060 120.256 120.400 -0.140 0.000 2.706 302 D HA 0.415 5.054 4.640 -0.002 0.000 0.225 302 D C -1.915 174.001 176.300 -0.641 0.000 1.241 302 D CA 0.072 53.874 54.000 -0.330 0.000 0.784 302 D CB 2.767 43.430 40.800 -0.228 0.000 1.521 302 D HN 0.043 nan 8.370 nan 0.000 0.461 303 V N 2.313 121.745 119.914 -0.804 0.000 2.488 303 V HA 0.454 4.573 4.120 -0.002 0.000 0.293 303 V C -0.487 175.141 176.094 -0.777 0.000 1.027 303 V CA -0.473 61.174 62.300 -1.089 0.000 0.862 303 V CB 1.757 32.402 31.823 -1.964 0.000 1.008 303 V HN 0.600 nan 8.190 nan 0.000 0.428 304 T N 3.248 117.465 114.554 -0.562 0.000 2.840 304 T HA 0.402 4.751 4.350 -0.002 0.000 0.287 304 T C -0.716 173.785 174.700 -0.332 0.000 0.991 304 T CA -0.421 61.508 62.100 -0.284 0.000 0.964 304 T CB 0.872 69.684 68.868 -0.094 0.000 0.954 304 T HN 0.517 nan 8.240 nan 0.000 0.438 305 W N 2.006 123.191 121.300 -0.193 0.000 2.216 305 W HA 0.463 5.122 4.660 -0.002 0.000 0.326 305 W C 1.143 177.464 176.519 -0.331 0.000 1.319 305 W CA -0.340 56.891 57.345 -0.190 0.000 1.213 305 W CB 0.550 29.998 29.460 -0.019 0.000 1.171 305 W HN 0.858 nan 8.180 nan 0.000 0.557 306 A N 2.039 124.685 122.820 -0.289 0.000 1.920 306 A HA 0.164 4.482 4.320 -0.002 0.000 0.209 306 A C 1.023 178.559 177.584 -0.081 0.000 1.229 306 A CA 1.551 53.215 52.037 -0.623 0.000 0.671 306 A CB -0.450 17.833 19.000 -1.195 0.000 0.886 306 A HN 0.536 nan 8.150 nan 0.000 0.461 307 T N -4.892 109.722 114.554 0.100 0.000 2.565 307 T HA 0.328 4.677 4.350 -0.002 0.000 0.266 307 T C 0.279 175.152 174.700 0.290 0.000 0.905 307 T CA -0.194 62.013 62.100 0.178 0.000 1.122 307 T CB 0.426 69.387 68.868 0.155 0.000 1.437 307 T HN 0.036 nan 8.240 nan 0.000 0.506 308 Q N 0.370 120.311 119.800 0.235 0.000 2.435 308 Q HA 0.118 4.457 4.340 -0.002 0.000 0.207 308 Q C 0.479 176.766 176.000 0.480 0.000 0.956 308 Q CA 1.026 56.972 55.803 0.238 0.000 0.917 308 Q CB 0.000 28.834 28.738 0.159 0.000 0.997 308 Q HN 0.856 nan 8.270 nan 0.000 0.497 309 E N 0.082 120.585 120.200 0.506 0.000 2.862 309 E HA 0.204 4.553 4.350 -0.002 0.000 0.204 309 E C -0.326 176.573 176.600 0.498 0.000 0.966 309 E CA -0.164 56.549 56.400 0.523 0.000 1.257 309 E CB 1.060 30.938 29.700 0.297 0.000 1.053 309 E HN -0.027 nan 8.360 nan 0.000 0.487 310 R N 1.755 122.542 120.500 0.478 0.000 2.575 310 R HA 0.541 4.880 4.340 -0.002 0.000 0.293 310 R C -1.397 174.901 176.300 -0.003 0.000 0.983 310 R CA -0.394 55.846 56.100 0.233 0.000 0.887 310 R CB 1.056 31.400 30.300 0.072 0.000 1.184 310 R HN -0.029 nan 8.270 nan 0.000 0.445 311 I N 1.714 122.131 120.570 -0.255 0.000 2.646 311 I HA 0.348 4.516 4.170 -0.002 0.000 0.299 311 I C -0.289 175.530 176.117 -0.498 0.000 1.036 311 I CA -1.017 59.880 61.300 -0.671 0.000 1.074 311 I CB 2.219 39.583 38.000 -1.060 0.000 1.258 311 I HN 0.487 nan 8.210 nan 0.000 0.430 312 S N 5.995 121.369 115.700 -0.544 0.000 2.449 312 S HA 0.694 5.163 4.470 -0.002 0.000 0.310 312 S C -0.882 173.395 174.600 -0.539 0.000 1.096 312 S CA -0.576 57.387 58.200 -0.395 0.000 1.095 312 S CB 0.492 63.578 63.200 -0.191 0.000 1.007 312 S HN 0.459 nan 8.310 nan 0.000 0.474 313 L N 4.692 125.618 121.223 -0.495 0.000 2.333 313 L HA 0.540 4.879 4.340 -0.002 0.000 0.280 313 L C -0.086 176.444 176.870 -0.566 0.000 1.004 313 L CA -0.722 53.699 54.840 -0.699 0.000 0.820 313 L CB 1.834 43.461 42.059 -0.721 0.000 1.247 313 L HN 0.528 nan 8.230 nan 0.000 0.416 314 Q N 2.431 121.840 119.800 -0.651 0.000 2.271 314 Q HA 0.364 4.703 4.340 -0.002 0.000 0.258 314 Q C -1.576 174.127 176.000 -0.494 0.000 0.936 314 Q CA -0.346 55.215 55.803 -0.404 0.000 0.909 314 Q CB 2.496 31.073 28.738 -0.269 0.000 1.253 314 Q HN 0.470 nan 8.270 nan 0.000 0.440 315 W N 2.504 123.771 121.300 -0.055 0.000 2.736 315 W HA 0.589 5.248 4.660 -0.002 0.000 0.335 315 W C -0.602 175.963 176.519 0.077 0.000 1.059 315 W CA -0.500 56.860 57.345 0.025 0.000 1.226 315 W CB 1.446 30.886 29.460 -0.034 0.000 1.416 315 W HN 0.292 nan 8.180 nan 0.000 0.505 316 L N 3.326 124.801 121.223 0.420 0.000 2.386 316 L HA 0.543 4.882 4.340 -0.002 0.000 0.271 316 L C 0.136 177.215 176.870 0.349 0.000 0.993 316 L CA -1.161 53.889 54.840 0.351 0.000 0.819 316 L CB 1.553 43.831 42.059 0.365 0.000 1.294 316 L HN 0.437 nan 8.230 nan 0.000 0.414 317 R N 2.762 123.435 120.500 0.290 0.000 2.543 317 R HA 0.114 4.453 4.340 -0.002 0.000 0.277 317 R C 1.044 177.414 176.300 0.118 0.000 1.074 317 R CA -0.245 55.967 56.100 0.188 0.000 1.076 317 R CB 0.865 31.270 30.300 0.175 0.000 0.993 317 R HN 0.645 nan 8.270 nan 0.000 0.459 318 R N 1.736 122.196 120.500 -0.068 0.000 2.133 318 R HA -0.166 4.173 4.340 -0.002 0.000 0.247 318 R C 0.224 176.583 176.300 0.098 0.000 1.151 318 R CA 1.411 57.439 56.100 -0.120 0.000 0.971 318 R CB -0.172 30.008 30.300 -0.200 0.000 0.866 318 R HN 0.374 nan 8.270 nan 0.000 0.447 319 I N 1.984 122.597 120.570 0.071 0.000 2.406 319 I HA 0.009 4.178 4.170 -0.002 0.000 0.293 319 I C 0.652 176.848 176.117 0.131 0.000 1.101 319 I CA 0.585 61.937 61.300 0.085 0.000 1.334 319 I CB 0.965 38.997 38.000 0.054 0.000 1.421 319 I HN -0.030 nan 8.210 nan 0.000 0.513 320 Q N 4.746 124.624 119.800 0.130 0.000 2.292 320 Q HA 0.039 4.378 4.340 -0.002 0.000 0.247 320 Q C 0.428 176.523 176.000 0.158 0.000 0.911 320 Q CA -0.013 55.881 55.803 0.152 0.000 0.948 320 Q CB -0.296 28.492 28.738 0.083 0.000 1.093 320 Q HN 0.742 nan 8.270 nan 0.000 0.428 321 N N -0.722 118.072 118.700 0.157 0.000 2.204 321 N HA -0.024 4.715 4.740 -0.002 0.000 0.219 321 N C -0.961 174.666 175.510 0.195 0.000 1.151 321 N CA -0.170 52.963 53.050 0.139 0.000 0.867 321 N CB 0.336 38.882 38.487 0.098 0.000 1.043 321 N HN 0.181 nan 8.380 nan 0.000 0.516 322 Y N 0.839 121.175 120.300 0.060 0.000 2.442 322 Y HA 0.559 5.108 4.550 -0.002 0.000 0.330 322 Y C -1.458 174.487 175.900 0.076 0.000 1.100 322 Y CA -0.848 57.284 58.100 0.053 0.000 1.034 322 Y CB 1.474 39.955 38.460 0.036 0.000 1.285 322 Y HN 0.172 nan 8.280 nan 0.000 0.440 323 S N 4.009 119.525 115.700 -0.308 0.000 2.550 323 S HA 0.886 5.355 4.470 -0.002 0.000 0.270 323 S C -2.227 172.224 174.600 -0.248 0.000 1.145 323 S CA -0.793 57.334 58.200 -0.121 0.000 0.852 323 S CB 1.695 64.897 63.200 0.003 0.000 1.119 323 S HN 0.566 nan 8.310 nan 0.000 0.465 324 V N 2.592 122.483 119.914 -0.038 0.000 2.656 324 V HA 0.556 4.674 4.120 -0.002 0.000 0.307 324 V C -0.455 175.681 176.094 0.071 0.000 1.051 324 V CA -0.645 61.646 62.300 -0.016 0.000 0.893 324 V CB 1.863 33.703 31.823 0.029 0.000 0.999 324 V HN 1.018 nan 8.190 nan 0.000 0.426 325 M N 3.481 123.088 119.600 0.012 0.000 2.180 325 M HA 0.472 4.951 4.480 -0.002 0.000 0.350 325 M C -1.239 175.077 176.300 0.026 0.000 1.125 325 M CA -0.309 54.975 55.300 -0.027 0.000 1.031 325 M CB 1.032 33.560 32.600 -0.120 0.000 1.623 325 M HN 0.628 nan 8.290 nan 0.000 0.451 326 D N 5.194 125.603 120.400 0.016 0.000 2.308 326 D HA 0.397 5.036 4.640 -0.002 0.000 0.242 326 D C -0.865 175.409 176.300 -0.044 0.000 1.059 326 D CA -0.195 53.820 54.000 0.026 0.000 0.830 326 D CB 1.525 42.393 40.800 0.114 0.000 1.161 326 D HN 0.460 nan 8.370 nan 0.000 0.494 327 I N 3.318 123.887 120.570 -0.002 0.000 2.307 327 I HA 0.264 4.433 4.170 -0.002 0.000 0.289 327 I C -0.150 175.971 176.117 0.007 0.000 1.021 327 I CA -0.479 60.817 61.300 -0.007 0.000 1.224 327 I CB 0.634 38.679 38.000 0.075 0.000 1.376 327 I HN 0.187 nan 8.210 nan 0.000 0.470 328 c N 4.935 123.526 118.600 -0.014 0.000 2.319 328 c HA 0.471 5.040 4.570 -0.002 0.000 0.323 328 c C 0.023 174.284 174.090 0.286 0.000 1.277 328 c CA -0.726 55.663 56.329 0.100 0.000 1.517 328 c CB 1.083 43.620 42.510 0.045 0.000 2.206 328 c HN 0.608 nan 8.230 nan 0.000 0.486 329 D N 1.168 121.717 120.400 0.247 0.000 2.256 329 D HA 0.230 4.869 4.640 -0.002 0.000 0.246 329 D C -0.603 175.622 176.300 -0.125 0.000 1.042 329 D CA -0.209 53.879 54.000 0.147 0.000 0.841 329 D CB 1.548 42.380 40.800 0.054 0.000 1.223 329 D HN 0.600 nan 8.370 nan 0.000 0.470 330 Y N 1.586 121.408 120.300 -0.797 0.000 2.411 330 Y HA 0.180 4.729 4.550 -0.002 0.000 0.333 330 Y C -0.177 175.403 175.900 -0.533 0.000 1.186 330 Y CA -0.020 57.312 58.100 -1.280 0.000 1.381 330 Y CB 0.767 38.291 38.460 -1.559 0.000 1.273 330 Y HN 0.159 nan 8.280 nan 0.000 0.546 331 D N 4.740 124.470 120.400 -1.118 0.000 2.462 331 D HA 0.169 4.808 4.640 -0.002 0.000 0.245 331 D C 0.116 175.824 176.300 -0.987 0.000 1.122 331 D CA -0.337 53.196 54.000 -0.778 0.000 0.864 331 D CB 0.848 41.394 40.800 -0.422 0.000 1.098 331 D HN 0.772 nan 8.370 nan 0.000 0.541 332 E N 1.325 121.076 120.200 -0.749 0.000 2.267 332 E HA -0.185 4.164 4.350 -0.002 0.000 0.197 332 E C 1.667 178.137 176.600 -0.217 0.000 0.998 332 E CA 1.093 57.244 56.400 -0.415 0.000 0.830 332 E CB 0.148 29.808 29.700 -0.066 0.000 0.751 332 E HN 0.565 nan 8.360 nan 0.000 0.491 333 S N 0.706 116.282 115.700 -0.207 0.000 2.371 333 S HA -0.143 4.326 4.470 -0.002 0.000 0.224 333 S C 2.185 176.723 174.600 -0.103 0.000 1.029 333 S CA 1.400 59.530 58.200 -0.116 0.000 0.978 333 S CB -0.147 62.994 63.200 -0.098 0.000 0.833 333 S HN 0.283 nan 8.310 nan 0.000 0.466 334 S N -0.119 115.489 115.700 -0.153 0.000 2.468 334 S HA 0.501 4.970 4.470 -0.002 0.000 0.226 334 S C 1.813 176.365 174.600 -0.080 0.000 1.051 334 S CA 0.627 58.766 58.200 -0.102 0.000 0.943 334 S CB -0.571 62.566 63.200 -0.104 0.000 0.810 334 S HN 1.599 nan 8.310 nan 0.000 0.509 335 G N 1.565 110.253 108.800 -0.187 0.000 2.175 335 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.244 335 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.244 335 G C 0.123 175.034 174.900 0.017 0.000 0.982 335 G CA -0.130 44.958 45.100 -0.021 0.000 0.641 335 G HN 0.480 nan 8.290 nan 0.000 0.527 336 R N -1.001 119.423 120.500 -0.128 0.000 2.553 336 R HA 0.631 4.970 4.340 -0.002 0.000 0.263 336 R C -0.614 175.594 176.300 -0.153 0.000 1.066 336 R CA -0.929 55.160 56.100 -0.017 0.000 1.135 336 R CB 0.307 30.605 30.300 -0.003 0.000 1.148 336 R HN 0.215 nan 8.270 nan 0.000 0.558 337 W N 0.848 122.164 121.300 0.026 0.000 2.471 337 W HA 0.391 5.050 4.660 -0.002 0.000 0.318 337 W C -0.132 176.375 176.519 -0.020 0.000 1.034 337 W CA -0.408 56.944 57.345 0.011 0.000 1.224 337 W CB 1.092 30.552 29.460 0.000 0.000 1.335 337 W HN 0.204 nan 8.180 nan 0.000 0.452 338 N N 2.762 121.545 118.700 0.139 0.000 2.342 338 N HA 0.430 5.169 4.740 -0.002 0.000 0.293 338 N C -1.484 174.070 175.510 0.073 0.000 1.026 338 N CA -0.494 52.601 53.050 0.074 0.000 0.857 338 N CB 1.896 40.387 38.487 0.007 0.000 1.256 338 N HN 0.216 nan 8.380 nan 0.000 0.484 339 c N 3.025 121.652 118.600 0.046 0.000 2.301 339 c HA 0.344 4.913 4.570 -0.002 0.000 0.313 339 c C 0.233 174.324 174.090 0.002 0.000 1.121 339 c CA -0.984 55.361 56.329 0.026 0.000 1.507 339 c CB -1.281 41.236 42.510 0.011 0.000 1.975 339 c HN 0.523 nan 8.230 nan 0.000 0.425 340 L N 2.812 124.038 121.223 0.004 0.000 2.559 340 L HA 0.019 4.358 4.340 -0.002 0.000 0.274 340 L C 1.569 178.427 176.870 -0.020 0.000 1.205 340 L CA 0.597 55.431 54.840 -0.009 0.000 0.907 340 L CB 0.128 42.184 42.059 -0.004 0.000 1.153 340 L HN 0.574 nan 8.230 nan 0.000 0.490 341 V N 3.624 123.519 119.914 -0.031 0.000 2.469 341 V HA -0.318 3.800 4.120 -0.002 0.000 0.251 341 V C 2.262 178.329 176.094 -0.046 0.000 1.064 341 V CA 1.914 64.189 62.300 -0.041 0.000 1.066 341 V CB -0.847 30.949 31.823 -0.044 0.000 0.667 341 V HN 1.038 nan 8.190 nan 0.000 0.461 342 A N 1.347 124.142 122.820 -0.041 0.000 1.940 342 A HA -0.224 4.095 4.320 -0.002 0.000 0.219 342 A C 2.179 179.716 177.584 -0.078 0.000 1.176 342 A CA 1.928 53.935 52.037 -0.051 0.000 0.631 342 A CB -0.404 18.575 19.000 -0.036 0.000 0.814 342 A HN 0.739 nan 8.150 nan 0.000 0.446 343 R N -0.089 120.374 120.500 -0.061 0.000 2.388 343 R HA 0.229 4.568 4.340 -0.002 0.000 0.247 343 R C -0.191 176.047 176.300 -0.104 0.000 0.931 343 R CA -0.295 55.758 56.100 -0.079 0.000 1.082 343 R CB -0.189 30.125 30.300 0.022 0.000 1.135 343 R HN 0.536 nan 8.270 nan 0.000 0.525 344 Q N 1.327 121.067 119.800 -0.099 0.000 2.392 344 Q HA 0.093 4.432 4.340 -0.002 0.000 0.262 344 Q C -0.476 175.418 176.000 -0.177 0.000 1.003 344 Q CA 0.370 56.137 55.803 -0.061 0.000 0.888 344 Q CB 0.707 29.419 28.738 -0.044 0.000 1.260 344 Q HN 0.321 nan 8.270 nan 0.000 0.435 345 H N 1.226 120.290 119.070 -0.010 0.000 2.529 345 H HA 0.550 5.105 4.556 -0.002 0.000 0.348 345 H C -0.541 174.749 175.328 -0.063 0.000 1.152 345 H CA -0.593 55.451 56.048 -0.007 0.000 1.202 345 H CB 1.362 31.123 29.762 -0.000 0.000 1.562 345 H HN 0.454 nan 8.280 nan 0.000 0.515 346 I N 1.890 122.484 120.570 0.039 0.000 2.619 346 I HA 0.224 4.393 4.170 -0.002 0.000 0.292 346 I C -0.523 175.536 176.117 -0.097 0.000 1.100 346 I CA -0.533 60.706 61.300 -0.103 0.000 1.043 346 I CB 2.591 40.519 38.000 -0.120 0.000 1.239 346 I HN 0.436 nan 8.210 nan 0.000 0.420 347 E N 6.760 126.839 120.200 -0.202 0.000 2.266 347 E HA 0.740 5.089 4.350 -0.002 0.000 0.268 347 E C -1.301 175.205 176.600 -0.157 0.000 0.879 347 E CA -0.857 55.472 56.400 -0.119 0.000 0.762 347 E CB 3.241 32.900 29.700 -0.069 0.000 1.199 347 E HN 0.449 nan 8.360 nan 0.000 0.422 348 M N 0.942 120.515 119.600 -0.045 0.000 2.618 348 M HA 0.460 4.939 4.480 -0.002 0.000 0.281 348 M C -0.814 175.495 176.300 0.015 0.000 1.267 348 M CA -0.841 54.472 55.300 0.022 0.000 0.845 348 M CB 2.702 35.351 32.600 0.083 0.000 1.732 348 M HN 0.355 nan 8.290 nan 0.000 0.461 349 S N -0.827 114.883 115.700 0.017 0.000 2.540 349 S HA 0.643 5.112 4.470 -0.002 0.000 0.275 349 S C 0.005 174.585 174.600 -0.033 0.000 1.123 349 S CA -0.477 57.702 58.200 -0.036 0.000 0.907 349 S CB 1.592 64.725 63.200 -0.112 0.000 1.081 349 S HN 0.820 nan 8.310 nan 0.000 0.476 350 T N -0.345 114.181 114.554 -0.047 0.000 2.985 350 T HA 0.108 4.457 4.350 -0.002 0.000 0.254 350 T C 1.386 176.050 174.700 -0.061 0.000 1.021 350 T CA 0.605 62.685 62.100 -0.033 0.000 0.957 350 T CB -0.068 68.793 68.868 -0.011 0.000 1.047 350 T HN 0.653 nan 8.240 nan 0.000 0.511 351 T N -1.274 113.210 114.554 -0.116 0.000 3.015 351 T HA 0.591 4.940 4.350 -0.002 0.000 0.250 351 T C 1.195 175.662 174.700 -0.388 0.000 1.057 351 T CA 0.411 62.426 62.100 -0.141 0.000 1.066 351 T CB 0.545 69.402 68.868 -0.019 0.000 0.959 351 T HN 0.530 nan 8.240 nan 0.000 0.488 352 G N 0.390 108.812 108.800 -0.631 0.000 2.899 352 G HA2 0.518 4.476 3.960 -0.002 0.000 0.137 352 G HA3 0.518 4.476 3.960 -0.002 0.000 0.137 352 G C -1.621 173.088 174.900 -0.320 0.000 1.198 352 G CA -0.555 44.031 45.100 -0.856 0.000 1.126 352 G HN 0.477 nan 8.290 nan 0.000 0.589 353 W N -0.734 120.362 121.300 -0.340 0.000 3.052 353 W HA 0.800 5.459 4.660 -0.001 0.000 0.366 353 W C -0.671 175.803 176.519 -0.075 0.000 1.438 353 W CA -1.329 55.921 57.345 -0.158 0.000 1.266 353 W CB 0.796 30.148 29.460 -0.180 0.000 1.720 353 W HN 0.278 nan 8.180 nan 0.000 0.657 354 V N 2.726 122.740 119.914 0.168 0.000 2.370 354 V HA 0.687 4.806 4.120 -0.002 0.000 0.279 354 V C 0.697 176.864 176.094 0.122 0.000 1.029 354 V CA 0.472 62.812 62.300 0.067 0.000 0.870 354 V CB 0.013 31.878 31.823 0.070 0.000 0.984 354 V HN 1.247 nan 8.190 nan 0.000 0.451 355 G N 5.455 114.272 108.800 0.028 0.000 2.796 355 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.571 355 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.571 355 G C 0.385 175.335 174.900 0.084 0.000 1.370 355 G CA 0.224 45.365 45.100 0.068 0.000 0.856 355 G HN 0.629 nan 8.290 nan 0.000 0.538 356 R N -1.025 119.530 120.500 0.092 0.000 2.062 356 R HA 0.127 4.466 4.340 -0.002 0.000 0.231 356 R C 1.972 178.228 176.300 -0.073 0.000 1.136 356 R CA 2.238 58.337 56.100 -0.001 0.000 0.948 356 R CB -0.117 30.196 30.300 0.020 0.000 0.845 356 R HN 0.471 nan 8.270 nan 0.000 0.430 357 F N -1.033 119.077 119.950 0.267 0.000 2.831 357 F HA 0.276 4.802 4.527 -0.002 0.000 0.334 357 F C 0.409 176.268 175.800 0.098 0.000 1.071 357 F CA -0.496 57.610 58.000 0.176 0.000 1.172 357 F CB 0.769 39.866 39.000 0.161 0.000 1.054 357 F HN -0.110 nan 8.300 nan 0.000 0.572 358 R N -0.971 119.695 120.500 0.277 0.000 2.741 358 R HA 0.419 4.757 4.340 -0.002 0.000 0.276 358 R C -3.383 173.005 176.300 0.146 0.000 1.028 358 R CA -1.881 54.322 56.100 0.173 0.000 0.865 358 R CB 0.258 30.646 30.300 0.147 0.000 1.268 358 R HN -0.359 nan 8.270 nan 0.000 0.475 359 P HA -0.031 nan 4.420 nan 0.000 0.265 359 P C -0.177 177.154 177.300 0.053 0.000 1.187 359 P CA 0.148 63.282 63.100 0.056 0.000 0.766 359 P CB 0.647 32.356 31.700 0.016 0.000 0.820 360 S N 1.219 116.948 115.700 0.048 0.000 2.589 360 S HA 0.086 4.555 4.470 -0.002 0.000 0.265 360 S C 0.103 174.713 174.600 0.016 0.000 1.342 360 S CA -0.688 57.553 58.200 0.068 0.000 1.005 360 S CB 0.441 63.696 63.200 0.092 0.000 0.909 360 S HN 0.544 nan 8.310 nan 0.000 0.555 361 E N 1.947 122.171 120.200 0.041 0.000 2.289 361 E HA 0.288 4.637 4.350 -0.002 0.000 0.278 361 E C -2.399 174.155 176.600 -0.077 0.000 1.032 361 E CA -2.380 53.988 56.400 -0.053 0.000 0.854 361 E CB 0.655 30.321 29.700 -0.056 0.000 1.046 361 E HN 0.465 nan 8.360 nan 0.000 0.409 362 P HA 0.158 nan 4.420 nan 0.000 0.292 362 P C -1.215 175.946 177.300 -0.230 0.000 1.287 362 P CA -0.193 62.753 63.100 -0.257 0.000 0.800 362 P CB 0.738 32.016 31.700 -0.704 0.000 0.945 363 H N 3.206 122.283 119.070 0.012 0.000 2.638 363 H HA 0.273 4.828 4.556 -0.002 0.000 0.303 363 H C -0.208 175.230 175.328 0.184 0.000 1.034 363 H CA -0.383 55.750 56.048 0.141 0.000 1.225 363 H CB 0.325 30.187 29.762 0.166 0.000 1.394 363 H HN 0.329 nan 8.280 nan 0.000 0.477 364 F N 2.107 122.232 119.950 0.291 0.000 2.412 364 F HA 0.028 4.554 4.527 -0.002 0.000 0.348 364 F C 1.513 177.499 175.800 0.309 0.000 1.102 364 F CA -0.473 57.705 58.000 0.296 0.000 1.196 364 F CB 1.009 40.113 39.000 0.172 0.000 1.144 364 F HN 0.393 nan 8.300 nan 0.000 0.541 365 T N 1.570 116.420 114.554 0.494 0.000 2.900 365 T HA 0.079 4.428 4.350 -0.002 0.000 0.307 365 T C 1.404 176.303 174.700 0.331 0.000 1.065 365 T CA -0.770 61.566 62.100 0.393 0.000 1.105 365 T CB 0.766 69.850 68.868 0.359 0.000 0.979 365 T HN 0.710 nan 8.240 nan 0.000 0.544 366 L N 1.091 122.463 121.223 0.249 0.000 2.043 366 L HA -0.183 4.156 4.340 -0.002 0.000 0.212 366 L C 2.260 179.239 176.870 0.183 0.000 1.075 366 L CA 2.499 57.458 54.840 0.197 0.000 0.752 366 L CB -0.639 41.512 42.059 0.153 0.000 0.891 366 L HN 0.937 nan 8.230 nan 0.000 0.432 367 D N -1.296 119.214 120.400 0.183 0.000 2.348 367 D HA -0.033 4.606 4.640 -0.002 0.000 0.216 367 D C 1.454 177.860 176.300 0.177 0.000 0.970 367 D CA 0.892 54.988 54.000 0.160 0.000 0.889 367 D CB -0.295 40.590 40.800 0.142 0.000 0.912 367 D HN 0.372 nan 8.370 nan 0.000 0.524 368 G N 0.148 109.091 108.800 0.237 0.000 2.143 368 G HA2 -0.316 3.642 3.960 -0.002 0.000 0.249 368 G HA3 -0.316 3.642 3.960 -0.002 0.000 0.249 368 G C 0.849 175.932 174.900 0.305 0.000 0.981 368 G CA 0.320 45.574 45.100 0.256 0.000 0.665 368 G HN 0.363 nan 8.290 nan 0.000 0.528 369 N N -0.030 118.836 118.700 0.277 0.000 2.282 369 N HA 0.185 4.924 4.740 -0.002 0.000 0.185 369 N C 0.970 176.612 175.510 0.219 0.000 1.099 369 N CA 1.088 54.274 53.050 0.226 0.000 0.878 369 N CB 0.589 39.168 38.487 0.153 0.000 0.993 369 N HN 0.828 nan 8.380 nan 0.000 0.481 370 S N -0.272 115.581 115.700 0.256 0.000 2.685 370 S HA 0.809 5.278 4.470 -0.002 0.000 0.282 370 S C -0.949 173.741 174.600 0.150 0.000 1.159 370 S CA -0.911 57.333 58.200 0.072 0.000 0.833 370 S CB 2.021 65.179 63.200 -0.071 0.000 1.151 370 S HN 0.134 nan 8.310 nan 0.000 0.485 371 F N -2.290 117.483 119.950 -0.295 0.000 2.719 371 F HA 0.796 5.322 4.527 -0.002 0.000 0.309 371 F C -2.336 173.278 175.800 -0.311 0.000 1.138 371 F CA -1.489 56.291 58.000 -0.366 0.000 0.943 371 F CB 0.418 38.813 39.000 -1.008 0.000 1.304 371 F HN 0.608 nan 8.300 nan 0.000 0.445 372 Y N 1.142 121.528 120.300 0.143 0.000 2.549 372 Y HA 0.771 5.320 4.550 -0.002 0.000 0.339 372 Y C -0.385 175.633 175.900 0.196 0.000 1.053 372 Y CA -1.133 57.048 58.100 0.136 0.000 1.105 372 Y CB 2.155 40.665 38.460 0.083 0.000 1.258 372 Y HN 0.788 nan 8.280 nan 0.000 0.478 373 K N 1.345 121.933 120.400 0.313 0.000 2.610 373 K HA 0.414 4.733 4.320 -0.002 0.000 0.267 373 K C -1.939 174.768 176.600 0.177 0.000 0.943 373 K CA -0.624 55.805 56.287 0.236 0.000 0.862 373 K CB 1.230 33.813 32.500 0.139 0.000 1.376 373 K HN 0.717 nan 8.250 nan 0.000 0.412 374 I N 3.451 124.110 120.570 0.149 0.000 2.618 374 I HA 0.153 4.322 4.170 -0.002 0.000 0.284 374 I C 0.130 176.320 176.117 0.123 0.000 1.146 374 I CA -0.145 61.230 61.300 0.124 0.000 1.425 374 I CB 0.251 38.319 38.000 0.113 0.000 1.383 374 I HN 0.415 nan 8.210 nan 0.000 0.562 375 I N 4.400 125.064 120.570 0.156 0.000 2.827 375 I HA 0.118 4.287 4.170 -0.002 0.000 0.298 375 I C -0.181 176.075 176.117 0.232 0.000 1.235 375 I CA -0.439 60.965 61.300 0.173 0.000 1.021 375 I CB 2.205 40.300 38.000 0.158 0.000 1.259 375 I HN 0.430 nan 8.210 nan 0.000 0.427 376 S N 4.302 120.085 115.700 0.140 0.000 2.505 376 S HA 0.234 4.703 4.470 -0.002 0.000 0.276 376 S C 0.135 174.820 174.600 0.140 0.000 1.274 376 S CA -0.452 57.789 58.200 0.068 0.000 1.053 376 S CB 0.033 63.215 63.200 -0.031 0.000 0.919 376 S HN 0.711 nan 8.310 nan 0.000 0.490 377 N N 3.334 122.039 118.700 0.008 0.000 2.431 377 N HA 0.128 4.867 4.740 -0.002 0.000 0.289 377 N C 1.156 176.606 175.510 -0.100 0.000 1.277 377 N CA -0.188 52.754 53.050 -0.179 0.000 0.972 377 N CB -0.119 37.888 38.487 -0.800 0.000 1.143 377 N HN 0.718 nan 8.380 nan 0.000 0.578 378 E N -1.112 119.008 120.200 -0.133 0.000 2.204 378 E HA -0.222 4.127 4.350 -0.002 0.000 0.195 378 E C 0.165 176.728 176.600 -0.062 0.000 0.990 378 E CA 1.390 57.749 56.400 -0.068 0.000 0.821 378 E CB -0.272 29.387 29.700 -0.068 0.000 0.750 378 E HN 0.688 nan 8.360 nan 0.000 0.477 379 E N -0.163 119.999 120.200 -0.063 0.000 2.463 379 E HA 0.189 4.538 4.350 -0.002 0.000 0.193 379 E C 0.643 177.219 176.600 -0.039 0.000 1.041 379 E CA 0.503 56.901 56.400 -0.003 0.000 0.879 379 E CB 0.887 30.630 29.700 0.071 0.000 0.997 379 E HN 0.468 nan 8.360 nan 0.000 0.478 380 G N 0.425 109.160 108.800 -0.108 0.000 2.147 380 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.244 380 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.244 380 G C -0.457 174.203 174.900 -0.400 0.000 1.005 380 G CA -0.035 44.919 45.100 -0.244 0.000 0.713 380 G HN 0.270 nan 8.290 nan 0.000 0.515 381 Y N -0.548 119.644 120.300 -0.180 0.000 2.387 381 Y HA 0.664 5.212 4.550 -0.002 0.000 0.336 381 Y C 1.055 176.805 175.900 -0.249 0.000 1.067 381 Y CA -0.961 57.005 58.100 -0.224 0.000 1.114 381 Y CB 1.213 39.541 38.460 -0.220 0.000 1.208 381 Y HN 0.088 nan 8.280 nan 0.000 0.458 382 R N 3.273 123.660 120.500 -0.188 0.000 2.210 382 R HA 0.287 4.626 4.340 -0.002 0.000 0.338 382 R C -0.874 175.198 176.300 -0.379 0.000 1.062 382 R CA -0.103 55.898 56.100 -0.165 0.000 0.902 382 R CB 0.048 30.293 30.300 -0.092 0.000 1.050 382 R HN 0.626 nan 8.270 nan 0.000 0.461 383 H N 1.864 120.966 119.070 0.053 0.000 2.834 383 H HA 0.341 4.896 4.556 -0.002 0.000 0.369 383 H C 0.088 175.509 175.328 0.155 0.000 1.174 383 H CA -0.973 55.089 56.048 0.025 0.000 1.165 383 H CB 1.663 31.349 29.762 -0.127 0.000 1.820 383 H HN 0.311 nan 8.280 nan 0.000 0.558 384 I N 1.301 121.960 120.570 0.148 0.000 2.556 384 I HA -0.021 4.148 4.170 -0.002 0.000 0.284 384 I C 0.451 176.569 176.117 0.001 0.000 1.114 384 I CA 0.347 61.669 61.300 0.038 0.000 1.418 384 I CB 0.300 38.224 38.000 -0.127 0.000 1.394 384 I HN 0.179 nan 8.210 nan 0.000 0.552 385 c N 7.365 125.919 118.600 -0.077 0.000 2.507 385 c HA 0.471 5.040 4.570 -0.002 0.000 0.319 385 c C -0.534 173.435 174.090 -0.201 0.000 1.208 385 c CA -0.528 55.568 56.329 -0.388 0.000 1.619 385 c CB 1.187 43.306 42.510 -0.652 0.000 2.230 385 c HN 0.652 nan 8.230 nan 0.000 0.492 386 Y N 4.337 124.279 120.300 -0.596 0.000 2.331 386 Y HA 0.714 5.263 4.550 -0.002 0.000 0.338 386 Y C -1.289 174.089 175.900 -0.870 0.000 0.992 386 Y CA -1.083 56.617 58.100 -0.666 0.000 1.121 386 Y CB 0.493 38.646 38.460 -0.511 0.000 1.184 386 Y HN 0.611 nan 8.280 nan 0.000 0.469 387 F N 4.203 123.361 119.950 -1.321 0.000 2.507 387 F HA 0.490 5.016 4.527 -0.001 0.000 0.325 387 F C -0.425 174.611 175.800 -1.274 0.000 1.116 387 F CA -0.782 56.419 58.000 -1.332 0.000 0.930 387 F CB 1.984 39.843 39.000 -1.901 0.000 1.146 387 F HN 0.367 nan 8.300 nan 0.000 0.447 388 Q N 3.658 123.060 119.800 -0.663 0.000 2.307 388 Q HA 0.333 4.672 4.340 -0.002 0.000 0.262 388 Q C 0.567 176.525 176.000 -0.070 0.000 0.961 388 Q CA -0.857 54.715 55.803 -0.385 0.000 0.882 388 Q CB 2.356 30.891 28.738 -0.338 0.000 1.264 388 Q HN 0.515 nan 8.270 nan 0.000 0.446 389 I N 1.504 122.119 120.570 0.074 0.000 2.280 389 I HA -0.343 3.826 4.170 -0.002 0.000 0.226 389 I C 1.084 177.320 176.117 0.198 0.000 0.970 389 I CA 1.818 63.269 61.300 0.252 0.000 1.279 389 I CB -0.537 37.602 38.000 0.232 0.000 0.984 389 I HN 0.703 nan 8.210 nan 0.000 0.382 390 D N 1.948 122.405 120.400 0.094 0.000 2.519 390 D HA 0.090 4.729 4.640 -0.002 0.000 0.238 390 D C 0.398 176.703 176.300 0.009 0.000 1.192 390 D CA 0.340 54.367 54.000 0.045 0.000 0.835 390 D CB 0.054 40.873 40.800 0.032 0.000 0.975 390 D HN 0.408 nan 8.370 nan 0.000 0.490 391 K N 0.100 120.507 120.400 0.012 0.000 2.395 391 K HA 0.563 4.882 4.320 -0.002 0.000 0.247 391 K C 0.317 176.903 176.600 -0.022 0.000 0.973 391 K CA -0.758 55.514 56.287 -0.025 0.000 0.828 391 K CB 1.860 34.325 32.500 -0.057 0.000 1.272 391 K HN -0.120 nan 8.250 nan 0.000 0.439 392 K N 1.463 121.835 120.400 -0.046 0.000 2.168 392 K HA 0.206 4.525 4.320 -0.002 0.000 0.258 392 K C 0.133 176.692 176.600 -0.069 0.000 1.010 392 K CA 0.190 56.449 56.287 -0.047 0.000 0.929 392 K CB -0.233 32.239 32.500 -0.047 0.000 0.998 392 K HN 0.797 nan 8.250 nan 0.000 0.479 393 D N -1.991 118.377 120.400 -0.052 0.000 3.841 393 D HA -0.173 4.466 4.640 -0.002 0.000 0.276 393 D C 0.325 176.428 176.300 -0.327 0.000 2.088 393 D CA 1.570 55.495 54.000 -0.126 0.000 1.152 393 D CB -1.357 39.363 40.800 -0.133 0.000 0.944 393 D HN 1.612 nan 8.370 nan 0.000 1.144 394 c N -2.844 115.440 118.600 -0.526 0.000 3.321 394 c HA 0.753 5.322 4.570 -0.002 0.000 0.329 394 c C -0.816 172.885 174.090 -0.648 0.000 1.394 394 c CA -0.422 55.331 56.329 -0.959 0.000 1.291 394 c CB 1.731 43.002 42.510 -2.065 0.000 1.606 394 c HN 0.664 nan 8.230 nan 0.000 0.463 395 T N 1.938 116.124 114.554 -0.614 0.000 2.786 395 T HA 0.539 4.888 4.350 -0.002 0.000 0.283 395 T C -0.812 173.687 174.700 -0.335 0.000 0.992 395 T CA 0.125 62.041 62.100 -0.306 0.000 0.954 395 T CB 0.438 69.266 68.868 -0.068 0.000 0.934 395 T HN 0.471 nan 8.240 nan 0.000 0.440 396 F N 3.472 123.319 119.950 -0.172 0.000 2.504 396 F HA 0.266 4.792 4.527 -0.002 0.000 0.369 396 F C 1.583 177.252 175.800 -0.218 0.000 1.082 396 F CA -0.806 57.085 58.000 -0.181 0.000 1.216 396 F CB 0.489 39.387 39.000 -0.170 0.000 1.108 396 F HN 0.591 nan 8.300 nan 0.000 0.554 397 I N -0.416 120.090 120.570 -0.106 0.000 4.070 397 I HA 0.236 4.405 4.170 -0.002 0.000 0.328 397 I C 0.152 176.165 176.117 -0.173 0.000 1.298 397 I CA 0.128 61.225 61.300 -0.339 0.000 1.173 397 I CB 0.158 37.693 38.000 -0.775 0.000 1.051 397 I HN 0.482 nan 8.210 nan 0.000 0.409 398 T N 0.272 114.762 114.554 -0.106 0.000 2.906 398 T HA 0.715 5.064 4.350 -0.002 0.000 0.295 398 T C -0.698 173.621 174.700 -0.635 0.000 1.075 398 T CA -0.689 61.293 62.100 -0.196 0.000 1.005 398 T CB 2.554 71.395 68.868 -0.045 0.000 1.136 398 T HN 0.493 nan 8.240 nan 0.000 0.498 399 K N -0.443 119.363 120.400 -0.989 0.000 2.625 399 K HA 0.717 5.036 4.320 -0.002 0.000 0.284 399 K C -0.682 175.276 176.600 -1.069 0.000 0.984 399 K CA -0.821 54.619 56.287 -1.412 0.000 0.865 399 K CB 1.279 33.354 32.500 -0.709 0.000 1.468 399 K HN 1.511 nan 8.250 nan 0.000 0.407 400 G N 0.055 108.245 108.800 -1.017 0.000 2.356 400 G HA2 0.170 4.129 3.960 -0.002 0.000 0.300 400 G HA3 0.170 4.129 3.960 -0.002 0.000 0.300 400 G C -1.196 173.195 174.900 -0.847 0.000 1.331 400 G CA -0.687 43.992 45.100 -0.703 0.000 0.905 400 G HN 0.436 nan 8.290 nan 0.000 0.587 401 T N 2.385 116.591 114.554 -0.581 0.000 3.843 401 T HA 0.475 4.824 4.350 -0.002 0.000 0.227 401 T C -0.209 174.275 174.700 -0.362 0.000 1.043 401 T CA 0.453 62.069 62.100 -0.807 0.000 1.012 401 T CB -1.154 67.487 68.868 -0.378 0.000 1.279 401 T HN 0.645 nan 8.240 nan 0.000 0.730 402 W N -0.294 120.799 121.300 -0.345 0.000 2.881 402 W HA 0.599 5.257 4.660 -0.002 0.000 0.380 402 W C -1.513 174.989 176.519 -0.029 0.000 1.170 402 W CA -0.988 56.325 57.345 -0.053 0.000 1.171 402 W CB 0.807 30.245 29.460 -0.036 0.000 1.464 402 W HN -0.018 nan 8.180 nan 0.000 0.574 403 E N 0.731 121.147 120.200 0.359 0.000 2.367 403 E HA 0.451 4.800 4.350 -0.002 0.000 0.273 403 E C -1.146 175.620 176.600 0.278 0.000 0.903 403 E CA -1.109 55.295 56.400 0.007 0.000 0.764 403 E CB 3.407 33.152 29.700 0.075 0.000 1.252 403 E HN 0.170 nan 8.360 nan 0.000 0.446 404 V N 3.444 123.399 119.914 0.069 0.000 2.583 404 V HA 0.025 4.144 4.120 -0.002 0.000 0.287 404 V C 0.978 177.205 176.094 0.221 0.000 1.051 404 V CA -0.016 62.431 62.300 0.245 0.000 1.010 404 V CB 0.747 32.628 31.823 0.097 0.000 0.988 404 V HN 0.676 nan 8.190 nan 0.000 0.478 405 I N 2.651 123.375 120.570 0.256 0.000 2.628 405 I HA 0.316 4.485 4.170 -0.002 0.000 0.255 405 I C 1.082 177.335 176.117 0.226 0.000 1.119 405 I CA 0.944 62.387 61.300 0.238 0.000 1.448 405 I CB -0.686 37.395 38.000 0.134 0.000 1.133 405 I HN 0.745 nan 8.210 nan 0.000 0.438 406 G N 0.821 109.751 108.800 0.215 0.000 2.732 406 G HA2 0.568 4.527 3.960 -0.002 0.000 0.296 406 G HA3 0.568 4.527 3.960 -0.002 0.000 0.296 406 G C -1.322 173.674 174.900 0.161 0.000 1.448 406 G CA -0.467 44.749 45.100 0.193 0.000 0.911 406 G HN -0.052 nan 8.290 nan 0.000 0.528 407 I N 1.767 122.360 120.570 0.039 0.000 2.304 407 I HA 0.255 4.424 4.170 -0.002 0.000 0.291 407 I C 0.602 176.612 176.117 -0.178 0.000 1.018 407 I CA -0.541 60.653 61.300 -0.177 0.000 1.260 407 I CB 1.799 39.425 38.000 -0.622 0.000 1.390 407 I HN 0.469 nan 8.210 nan 0.000 0.475 408 E N 4.870 125.047 120.200 -0.040 0.000 2.307 408 E HA 0.344 4.693 4.350 -0.002 0.000 0.195 408 E C 0.117 176.623 176.600 -0.156 0.000 0.975 408 E CA 0.178 56.592 56.400 0.023 0.000 0.878 408 E CB 0.877 30.662 29.700 0.141 0.000 0.845 408 E HN 0.685 nan 8.360 nan 0.000 0.488 409 A N 0.325 122.984 122.820 -0.269 0.000 2.597 409 A HA 0.602 4.921 4.320 -0.002 0.000 0.292 409 A C -1.854 175.643 177.584 -0.145 0.000 1.057 409 A CA -0.599 51.195 52.037 -0.406 0.000 0.674 409 A CB 1.131 19.310 19.000 -1.369 0.000 1.278 409 A HN 0.053 nan 8.150 nan 0.000 0.416 410 L N 2.482 123.662 121.223 -0.072 0.000 2.541 410 L HA 0.636 4.974 4.340 -0.002 0.000 0.266 410 L C -0.040 176.866 176.870 0.060 0.000 0.966 410 L CA -0.007 54.835 54.840 0.005 0.000 0.871 410 L CB 1.870 43.952 42.059 0.037 0.000 1.232 410 L HN 1.218 nan 8.230 nan 0.000 0.408 411 T N -0.840 113.779 114.554 0.109 0.000 2.841 411 T HA 0.325 4.674 4.350 -0.002 0.000 0.276 411 T C 1.284 176.039 174.700 0.091 0.000 1.003 411 T CA 0.118 62.290 62.100 0.120 0.000 0.995 411 T CB 1.508 70.485 68.868 0.182 0.000 1.260 411 T HN 0.568 nan 8.240 nan 0.000 0.581 412 S N 0.109 115.859 115.700 0.082 0.000 2.382 412 S HA -0.115 4.353 4.470 -0.002 0.000 0.228 412 S C 1.029 175.621 174.600 -0.014 0.000 1.027 412 S CA 1.224 59.454 58.200 0.050 0.000 0.991 412 S CB -0.644 62.586 63.200 0.049 0.000 0.823 412 S HN 0.763 nan 8.310 nan 0.000 0.469 413 D N -0.644 119.734 120.400 -0.037 0.000 2.367 413 D HA 0.237 4.876 4.640 -0.002 0.000 0.207 413 D C -0.602 175.363 176.300 -0.559 0.000 1.034 413 D CA 0.452 54.294 54.000 -0.262 0.000 0.861 413 D CB 0.182 40.841 40.800 -0.235 0.000 0.943 413 D HN 0.429 nan 8.370 nan 0.000 0.515 414 Y N -0.098 120.149 120.300 -0.088 0.000 2.544 414 Y HA 0.418 4.967 4.550 -0.002 0.000 0.342 414 Y C -0.767 174.958 175.900 -0.292 0.000 1.062 414 Y CA -0.931 57.020 58.100 -0.249 0.000 1.023 414 Y CB 2.249 40.443 38.460 -0.444 0.000 1.308 414 Y HN -0.268 nan 8.280 nan 0.000 0.457 415 L N 3.619 124.729 121.223 -0.188 0.000 2.313 415 L HA 0.615 4.953 4.340 -0.002 0.000 0.283 415 L C -1.781 174.972 176.870 -0.195 0.000 1.013 415 L CA -0.572 54.134 54.840 -0.223 0.000 0.816 415 L CB 0.707 42.540 42.059 -0.377 0.000 1.236 415 L HN 0.609 nan 8.230 nan 0.000 0.419 416 Y N 4.835 125.079 120.300 -0.095 0.000 2.360 416 Y HA 0.569 5.118 4.550 -0.002 0.000 0.337 416 Y C -0.499 175.410 175.900 0.015 0.000 1.039 416 Y CA -0.402 57.644 58.100 -0.091 0.000 1.109 416 Y CB 1.427 39.717 38.460 -0.284 0.000 1.201 416 Y HN 0.525 nan 8.280 nan 0.000 0.458 417 Y N 0.651 121.000 120.300 0.082 0.000 2.609 417 Y HA 0.726 5.275 4.550 -0.002 0.000 0.336 417 Y C -1.843 174.135 175.900 0.129 0.000 1.129 417 Y CA -1.852 56.288 58.100 0.066 0.000 1.040 417 Y CB 0.965 39.445 38.460 0.033 0.000 1.310 417 Y HN 0.312 nan 8.280 nan 0.000 0.460 418 I N 3.244 123.922 120.570 0.180 0.000 2.385 418 I HA 0.570 4.739 4.170 -0.002 0.000 0.294 418 I C 0.149 176.429 176.117 0.272 0.000 0.988 418 I CA -0.166 61.202 61.300 0.113 0.000 1.265 418 I CB 1.465 39.509 38.000 0.073 0.000 1.388 418 I HN 0.868 nan 8.210 nan 0.000 0.480 419 S N 4.259 120.091 115.700 0.220 0.000 2.685 419 S HA 0.438 4.907 4.470 -0.002 0.000 0.282 419 S C -0.275 174.387 174.600 0.104 0.000 1.159 419 S CA -0.765 57.576 58.200 0.236 0.000 0.833 419 S CB 1.978 65.326 63.200 0.245 0.000 1.151 419 S HN 0.631 nan 8.310 nan 0.000 0.485 420 N N 0.004 118.765 118.700 0.102 0.000 2.380 420 N HA 0.138 4.877 4.740 -0.002 0.000 0.255 420 N C 0.508 175.986 175.510 -0.054 0.000 1.158 420 N CA -0.250 52.816 53.050 0.026 0.000 0.878 420 N CB 0.271 38.772 38.487 0.024 0.000 1.138 420 N HN 0.836 nan 8.380 nan 0.000 0.509 421 E N -0.030 119.968 120.200 -0.336 0.000 2.047 421 E HA -0.198 4.151 4.350 -0.002 0.000 0.191 421 E C -0.367 176.081 176.600 -0.253 0.000 0.987 421 E CA 0.236 56.202 56.400 -0.724 0.000 0.799 421 E CB -0.135 28.535 29.700 -1.716 0.000 0.752 421 E HN 0.384 nan 8.360 nan 0.000 0.449 422 Y N 2.181 122.386 120.300 -0.158 0.000 2.846 422 Y HA -0.160 4.389 4.550 -0.002 0.000 0.352 422 Y C 0.408 176.276 175.900 -0.054 0.000 1.298 422 Y CA 1.101 59.163 58.100 -0.063 0.000 1.634 422 Y CB -0.166 38.286 38.460 -0.012 0.000 1.214 422 Y HN 0.147 nan 8.280 nan 0.000 0.529 423 K N 3.385 123.490 120.400 -0.492 0.000 3.472 423 K HA -0.227 4.092 4.320 -0.002 0.000 0.315 423 K C 0.815 177.337 176.600 -0.129 0.000 1.320 423 K CA 0.810 56.871 56.287 -0.378 0.000 0.962 423 K CB -1.652 30.572 32.500 -0.460 0.000 1.251 423 K HN 1.292 nan 8.250 nan 0.000 0.443 424 G N 0.904 109.645 108.800 -0.099 0.000 2.221 424 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.265 424 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.265 424 G C -0.042 174.843 174.900 -0.026 0.000 1.041 424 G CA 0.740 45.833 45.100 -0.012 0.000 0.807 424 G HN 0.276 nan 8.290 nan 0.000 0.502 425 M N 0.777 120.286 119.600 -0.151 0.000 2.080 425 M HA 0.242 4.720 4.480 -0.002 0.000 0.350 425 M C -0.941 175.097 176.300 -0.436 0.000 1.143 425 M CA -2.105 52.926 55.300 -0.448 0.000 1.064 425 M CB 1.549 33.963 32.600 -0.311 0.000 1.429 425 M HN -0.089 nan 8.290 nan 0.000 0.418 426 P HA -0.136 nan 4.420 nan 0.000 0.218 426 P C 1.130 178.287 177.300 -0.238 0.000 1.146 426 P CA 1.329 64.254 63.100 -0.291 0.000 0.813 426 P CB 0.048 31.571 31.700 -0.294 0.000 0.778 427 G N -0.819 107.770 108.800 -0.353 0.000 3.088 427 G HA2 0.245 4.204 3.960 -0.002 0.000 0.212 427 G HA3 0.245 4.204 3.960 -0.002 0.000 0.212 427 G C 0.741 175.654 174.900 0.021 0.000 1.173 427 G CA 0.195 45.216 45.100 -0.132 0.000 0.779 427 G HN 0.436 nan 8.290 nan 0.000 0.540 428 G N -0.283 108.480 108.800 -0.062 0.000 2.491 428 G HA2 0.649 4.608 3.960 -0.002 0.000 0.327 428 G HA3 0.649 4.608 3.960 -0.002 0.000 0.327 428 G C -0.806 173.990 174.900 -0.174 0.000 1.189 428 G CA -0.777 44.316 45.100 -0.011 0.000 0.956 428 G HN 0.097 nan 8.290 nan 0.000 0.491 429 R N 0.865 121.206 120.500 -0.265 0.000 2.522 429 R HA 0.415 4.753 4.340 -0.002 0.000 0.283 429 R C -1.339 174.906 176.300 -0.093 0.000 1.074 429 R CA -0.797 55.124 56.100 -0.299 0.000 0.925 429 R CB 2.011 31.897 30.300 -0.690 0.000 1.205 429 R HN 0.615 nan 8.270 nan 0.000 0.436 430 N N 1.817 120.489 118.700 -0.048 0.000 2.329 430 N HA 0.381 5.119 4.740 -0.002 0.000 0.282 430 N C -0.935 174.402 175.510 -0.290 0.000 1.198 430 N CA -0.748 52.197 53.050 -0.174 0.000 0.790 430 N CB 2.850 41.128 38.487 -0.348 0.000 1.579 430 N HN 0.295 nan 8.380 nan 0.000 0.475 431 L N 2.076 123.007 121.223 -0.486 0.000 2.305 431 L HA 0.386 4.725 4.340 -0.002 0.000 0.281 431 L C -1.110 175.340 176.870 -0.701 0.000 1.085 431 L CA -0.246 54.325 54.840 -0.448 0.000 0.813 431 L CB 0.186 41.989 42.059 -0.427 0.000 1.157 431 L HN 0.520 nan 8.230 nan 0.000 0.436 432 Y N 3.215 123.164 120.300 -0.585 0.000 2.570 432 Y HA 0.481 5.030 4.550 -0.002 0.000 0.345 432 Y C -0.407 175.199 175.900 -0.491 0.000 1.014 432 Y CA -0.923 56.822 58.100 -0.592 0.000 1.063 432 Y CB 1.803 39.764 38.460 -0.832 0.000 1.272 432 Y HN 0.406 nan 8.280 nan 0.000 0.477 433 K N 1.602 121.906 120.400 -0.160 0.000 2.422 433 K HA 0.790 5.109 4.320 -0.002 0.000 0.251 433 K C -1.863 174.751 176.600 0.023 0.000 0.933 433 K CA -0.577 55.554 56.287 -0.259 0.000 0.798 433 K CB 2.088 34.146 32.500 -0.736 0.000 1.238 433 K HN 0.661 nan 8.250 nan 0.000 0.428 434 I N 2.287 122.929 120.570 0.119 0.000 2.404 434 I HA 0.166 4.335 4.170 -0.002 0.000 0.293 434 I C -0.269 175.944 176.117 0.158 0.000 0.992 434 I CA -0.998 60.408 61.300 0.176 0.000 1.149 434 I CB 2.070 40.146 38.000 0.126 0.000 1.315 434 I HN 0.711 nan 8.210 nan 0.000 0.446 435 Q N 5.440 125.307 119.800 0.111 0.000 2.281 435 Q HA 0.175 4.514 4.340 -0.002 0.000 0.267 435 Q C 0.666 176.586 176.000 -0.133 0.000 1.053 435 Q CA -0.143 55.550 55.803 -0.183 0.000 0.905 435 Q CB 0.900 29.573 28.738 -0.107 0.000 1.195 435 Q HN 0.732 nan 8.270 nan 0.000 0.398 436 L N 2.427 123.498 121.223 -0.252 0.000 2.043 436 L HA -0.226 4.113 4.340 -0.002 0.000 0.212 436 L C 2.027 178.781 176.870 -0.193 0.000 1.075 436 L CA 1.894 56.688 54.840 -0.076 0.000 0.752 436 L CB -0.503 41.480 42.059 -0.126 0.000 0.891 436 L HN 0.718 nan 8.230 nan 0.000 0.432 437 S N -2.629 112.916 115.700 -0.257 0.000 2.593 437 S HA -0.005 4.464 4.470 -0.002 0.000 0.217 437 S C 0.363 174.776 174.600 -0.312 0.000 0.966 437 S CA -0.115 57.913 58.200 -0.287 0.000 0.914 437 S CB 0.080 63.160 63.200 -0.200 0.000 0.776 437 S HN 0.349 nan 8.310 nan 0.000 0.523 438 D N -0.008 120.227 120.400 -0.275 0.000 2.411 438 D HA 0.204 4.843 4.640 -0.002 0.000 0.239 438 D C -0.291 175.972 176.300 -0.062 0.000 1.307 438 D CA -0.572 53.308 54.000 -0.200 0.000 0.930 438 D CB -0.064 40.671 40.800 -0.108 0.000 1.395 438 D HN -0.053 nan 8.370 nan 0.000 0.536 439 Y N 0.720 120.985 120.300 -0.058 0.000 2.446 439 Y HA -0.160 4.389 4.550 -0.002 0.000 0.287 439 Y C 2.607 178.500 175.900 -0.013 0.000 1.159 439 Y CA 1.681 59.755 58.100 -0.043 0.000 1.297 439 Y CB -0.966 37.468 38.460 -0.043 0.000 0.974 439 Y HN 0.431 nan 8.280 nan 0.000 0.557 440 T N -2.630 111.996 114.554 0.120 0.000 3.085 440 T HA -0.026 4.323 4.350 -0.002 0.000 0.263 440 T C 0.689 175.436 174.700 0.078 0.000 1.127 440 T CA 0.231 62.381 62.100 0.083 0.000 1.103 440 T CB -0.182 68.711 68.868 0.042 0.000 0.921 440 T HN 0.103 nan 8.240 nan 0.000 0.510 441 K N 1.891 122.340 120.400 0.083 0.000 2.296 441 K HA 0.507 4.826 4.320 -0.002 0.000 0.257 441 K C -1.378 175.294 176.600 0.120 0.000 1.088 441 K CA -0.408 55.930 56.287 0.084 0.000 0.980 441 K CB 1.516 34.055 32.500 0.064 0.000 1.430 441 K HN 0.105 nan 8.250 nan 0.000 0.441 442 V N 2.744 122.730 119.914 0.120 0.000 2.384 442 V HA 0.228 4.346 4.120 -0.002 0.000 0.287 442 V C -0.066 176.107 176.094 0.131 0.000 1.020 442 V CA -0.646 61.745 62.300 0.151 0.000 0.850 442 V CB 1.758 33.682 31.823 0.169 0.000 0.987 442 V HN 0.607 nan 8.190 nan 0.000 0.436 443 T N 3.718 118.331 114.554 0.099 0.000 2.771 443 T HA 0.233 4.582 4.350 -0.002 0.000 0.281 443 T C -0.246 174.427 174.700 -0.046 0.000 0.982 443 T CA -0.246 61.866 62.100 0.020 0.000 0.978 443 T CB 1.154 69.998 68.868 -0.041 0.000 0.930 443 T HN 0.747 nan 8.240 nan 0.000 0.447 444 C N 5.420 124.641 119.300 -0.132 0.000 2.482 444 C HA 0.386 4.845 4.460 -0.002 0.000 0.378 444 C C 1.722 176.438 174.990 -0.457 0.000 1.284 444 C CA -0.588 58.124 59.018 -0.511 0.000 1.826 444 C CB -1.777 25.619 27.740 -0.573 0.000 2.473 444 C HN 0.975 nan 8.230 nan 0.000 0.562 445 L N 4.548 125.449 121.223 -0.536 0.000 2.375 445 L HA 0.072 4.411 4.340 -0.002 0.000 0.215 445 L C 2.138 178.726 176.870 -0.470 0.000 1.108 445 L CA 1.069 55.674 54.840 -0.391 0.000 0.830 445 L CB -0.311 41.553 42.059 -0.325 0.000 0.959 445 L HN 0.895 nan 8.230 nan 0.000 0.457 446 S N -3.250 112.061 115.700 -0.649 0.000 2.628 446 S HA -0.019 4.450 4.470 -0.002 0.000 0.246 446 S C 1.811 176.061 174.600 -0.583 0.000 1.062 446 S CA -0.118 57.608 58.200 -0.790 0.000 1.028 446 S CB -0.306 62.064 63.200 -1.382 0.000 0.985 446 S HN 0.274 nan 8.310 nan 0.000 0.551 447 C N 2.536 121.456 119.300 -0.632 0.000 2.396 447 C HA -0.025 4.433 4.460 -0.002 0.000 0.277 447 C C 2.100 176.791 174.990 -0.499 0.000 1.231 447 C CA 1.148 59.704 59.018 -0.770 0.000 1.775 447 C CB -0.882 26.204 27.740 -1.089 0.000 2.036 447 C HN 0.595 nan 8.230 nan 0.000 0.484 448 E N -0.281 119.723 120.200 -0.326 0.000 2.538 448 E HA 0.220 4.569 4.350 -0.002 0.000 0.207 448 E C 1.761 178.303 176.600 -0.096 0.000 1.002 448 E CA -0.098 56.200 56.400 -0.170 0.000 0.952 448 E CB -0.106 29.513 29.700 -0.134 0.000 1.031 448 E HN 0.625 nan 8.360 nan 0.000 0.476 449 L N 0.480 121.647 121.223 -0.093 0.000 1.976 449 L HA -0.059 4.280 4.340 -0.002 0.000 0.209 449 L C 1.108 177.982 176.870 0.006 0.000 1.071 449 L CA 1.036 55.859 54.840 -0.029 0.000 0.746 449 L CB -0.057 42.001 42.059 -0.002 0.000 0.890 449 L HN 0.027 nan 8.230 nan 0.000 0.432 450 N N -1.001 117.719 118.700 0.034 0.000 2.710 450 N HA 0.135 4.873 4.740 -0.002 0.000 0.244 450 N C -2.158 173.364 175.510 0.021 0.000 1.321 450 N CA -1.240 51.820 53.050 0.017 0.000 0.758 450 N CB 1.158 39.648 38.487 0.005 0.000 1.284 450 N HN -0.148 nan 8.380 nan 0.000 0.530 451 P HA -0.072 nan 4.420 nan 0.000 0.223 451 P C 0.374 177.709 177.300 0.058 0.000 1.144 451 P CA 1.201 64.333 63.100 0.053 0.000 0.783 451 P CB 0.683 32.425 31.700 0.070 0.000 0.771 452 E N -0.814 119.401 120.200 0.027 0.000 2.290 452 E HA 0.049 4.397 4.350 -0.002 0.000 0.197 452 E C 2.237 178.830 176.600 -0.011 0.000 0.948 452 E CA 0.001 56.410 56.400 0.016 0.000 0.895 452 E CB 0.005 29.710 29.700 0.009 0.000 0.865 452 E HN 0.126 nan 8.360 nan 0.000 0.486 453 R N 0.011 120.491 120.500 -0.032 0.000 2.189 453 R HA 0.130 4.469 4.340 -0.002 0.000 0.203 453 R C -0.241 175.994 176.300 -0.108 0.000 1.012 453 R CA 0.518 56.574 56.100 -0.073 0.000 1.015 453 R CB 0.456 30.704 30.300 -0.087 0.000 0.938 453 R HN 0.046 nan 8.270 nan 0.000 0.472 454 c N 1.007 119.550 118.600 -0.096 0.000 2.407 454 c HA 0.405 4.974 4.570 -0.002 0.000 0.328 454 c C -0.112 173.892 174.090 -0.144 0.000 1.137 454 c CA -0.647 55.551 56.329 -0.219 0.000 1.390 454 c CB 1.364 43.730 42.510 -0.240 0.000 1.989 454 c HN 0.522 nan 8.230 nan 0.000 0.432 455 Q N 0.734 120.448 119.800 -0.142 0.000 2.073 455 Q HA 0.194 4.533 4.340 -0.002 0.000 0.215 455 Q C -1.010 175.007 176.000 0.029 0.000 0.776 455 Q CA 0.034 55.843 55.803 0.010 0.000 1.008 455 Q CB 1.454 30.241 28.738 0.081 0.000 1.196 455 Q HN 0.781 nan 8.270 nan 0.000 0.458 456 Y N 0.365 120.496 120.300 -0.282 0.000 2.344 456 Y HA 0.363 4.912 4.550 -0.002 0.000 0.328 456 Y C -1.781 173.939 175.900 -0.300 0.000 1.067 456 Y CA -1.013 56.973 58.100 -0.190 0.000 1.247 456 Y CB 0.765 39.145 38.460 -0.133 0.000 1.113 456 Y HN -0.069 nan 8.280 nan 0.000 0.465 457 Y N 2.617 122.829 120.300 -0.146 0.000 2.446 457 Y HA 0.638 5.187 4.550 -0.002 0.000 0.338 457 Y C 0.319 176.154 175.900 -0.108 0.000 1.055 457 Y CA -0.491 57.547 58.100 -0.103 0.000 1.101 457 Y CB 2.192 40.560 38.460 -0.153 0.000 1.221 457 Y HN 0.538 nan 8.280 nan 0.000 0.460 458 S N 1.320 117.114 115.700 0.156 0.000 2.677 458 S HA 0.883 5.352 4.470 -0.002 0.000 0.304 458 S C -1.439 173.242 174.600 0.135 0.000 1.108 458 S CA -0.753 57.523 58.200 0.127 0.000 0.944 458 S CB 1.881 65.171 63.200 0.150 0.000 1.127 458 S HN 0.623 nan 8.310 nan 0.000 0.511 459 V N 0.269 120.259 119.914 0.126 0.000 3.049 459 V HA 0.848 4.967 4.120 -0.002 0.000 0.309 459 V C -1.196 174.997 176.094 0.165 0.000 1.148 459 V CA -0.281 62.076 62.300 0.095 0.000 0.990 459 V CB 2.259 34.077 31.823 -0.008 0.000 1.039 459 V HN 1.182 nan 8.190 nan 0.000 0.430 460 S N 4.914 120.706 115.700 0.154 0.000 2.756 460 S HA 0.693 5.162 4.470 -0.002 0.000 0.303 460 S C -1.189 173.575 174.600 0.273 0.000 1.135 460 S CA -0.388 57.992 58.200 0.299 0.000 1.066 460 S CB 0.467 63.881 63.200 0.356 0.000 1.008 460 S HN 0.514 nan 8.310 nan 0.000 0.482 461 F N 3.037 123.069 119.950 0.137 0.000 2.371 461 F HA 0.472 4.998 4.527 -0.002 0.000 0.329 461 F C 1.366 176.809 175.800 -0.594 0.000 1.107 461 F CA -0.275 57.654 58.000 -0.119 0.000 1.137 461 F CB 1.429 40.331 39.000 -0.164 0.000 1.214 461 F HN 0.633 nan 8.300 nan 0.000 0.536 462 S N 1.218 116.355 115.700 -0.938 0.000 2.645 462 S HA 0.411 4.880 4.470 -0.002 0.000 0.266 462 S C -0.316 174.042 174.600 -0.404 0.000 1.258 462 S CA -1.089 56.266 58.200 -1.409 0.000 0.990 462 S CB 0.717 63.048 63.200 -1.448 0.000 0.967 462 S HN 0.419 nan 8.310 nan 0.000 0.556 463 K N 1.101 121.391 120.400 -0.183 0.000 2.559 463 K HA 0.082 4.401 4.320 -0.002 0.000 0.279 463 K C 0.628 177.220 176.600 -0.013 0.000 0.967 463 K CA 0.971 57.249 56.287 -0.015 0.000 1.000 463 K CB -0.358 32.178 32.500 0.059 0.000 0.890 463 K HN 0.803 nan 8.250 nan 0.000 0.501 464 E N 1.586 121.796 120.200 0.018 0.000 3.313 464 E HA -0.345 4.004 4.350 -0.002 0.000 0.283 464 E C 0.010 176.606 176.600 -0.007 0.000 0.941 464 E CA 1.049 57.461 56.400 0.021 0.000 0.907 464 E CB -1.370 28.352 29.700 0.038 0.000 1.458 464 E HN 0.764 nan 8.360 nan 0.000 0.463 465 A N -1.348 121.457 122.820 -0.026 0.000 2.925 465 A HA -0.370 3.949 4.320 -0.002 0.000 0.265 465 A C 1.373 178.955 177.584 -0.003 0.000 1.419 465 A CA 1.714 53.764 52.037 0.022 0.000 0.807 465 A CB -1.162 17.765 19.000 -0.122 0.000 1.043 465 A HN 0.160 nan 8.150 nan 0.000 0.600 466 K N -1.515 118.816 120.400 -0.117 0.000 2.103 466 K HA 0.076 4.394 4.320 -0.002 0.000 0.204 466 K C 0.329 176.567 176.600 -0.603 0.000 1.052 466 K CA 1.487 57.564 56.287 -0.350 0.000 0.945 466 K CB -0.086 32.161 32.500 -0.421 0.000 0.722 466 K HN 0.756 nan 8.250 nan 0.000 0.443 467 Y N -0.591 119.648 120.300 -0.103 0.000 2.562 467 Y HA 0.348 4.897 4.550 -0.002 0.000 0.343 467 Y C -0.271 175.525 175.900 -0.172 0.000 1.025 467 Y CA -1.694 56.333 58.100 -0.122 0.000 1.082 467 Y CB 1.507 39.944 38.460 -0.038 0.000 1.264 467 Y HN -0.022 nan 8.280 nan 0.000 0.478 468 Y N -1.277 118.950 120.300 -0.121 0.000 2.534 468 Y HA 0.542 5.091 4.550 -0.002 0.000 0.345 468 Y C -1.146 174.724 175.900 -0.050 0.000 1.031 468 Y CA -1.504 56.367 58.100 -0.383 0.000 1.022 468 Y CB 1.509 39.186 38.460 -1.305 0.000 1.292 468 Y HN 0.573 nan 8.280 nan 0.000 0.459 469 Q N 3.533 123.438 119.800 0.174 0.000 2.278 469 Q HA 0.492 4.831 4.340 -0.002 0.000 0.257 469 Q C -1.582 174.493 176.000 0.126 0.000 0.928 469 Q CA -0.653 55.233 55.803 0.138 0.000 0.932 469 Q CB 1.297 30.103 28.738 0.113 0.000 1.221 469 Q HN 0.940 nan 8.270 nan 0.000 0.434 470 L N 3.991 125.287 121.223 0.122 0.000 2.307 470 L HA 0.538 4.877 4.340 -0.002 0.000 0.282 470 L C -0.105 176.861 176.870 0.161 0.000 1.051 470 L CA -0.484 54.420 54.840 0.107 0.000 0.804 470 L CB 1.492 43.542 42.059 -0.014 0.000 1.197 470 L HN 0.554 nan 8.230 nan 0.000 0.431 471 R N 3.196 123.800 120.500 0.173 0.000 2.422 471 R HA 0.353 4.692 4.340 -0.002 0.000 0.307 471 R C -1.063 175.198 176.300 -0.064 0.000 1.004 471 R CA -0.485 55.621 56.100 0.011 0.000 0.882 471 R CB 1.338 31.741 30.300 0.173 0.000 1.164 471 R HN 0.740 nan 8.270 nan 0.000 0.489 472 c N 2.936 121.359 118.600 -0.295 0.000 2.350 472 c HA 0.550 5.119 4.570 -0.002 0.000 0.348 472 c C 0.623 174.499 174.090 -0.357 0.000 1.260 472 c CA -0.253 55.760 56.329 -0.528 0.000 1.966 472 c CB 1.321 43.381 42.510 -0.751 0.000 2.380 472 c HN 0.963 nan 8.230 nan 0.000 0.535 473 S N 2.542 118.117 115.700 -0.208 0.000 2.603 473 S HA 0.567 5.036 4.470 -0.002 0.000 0.232 473 S C 0.403 174.957 174.600 -0.078 0.000 1.016 473 S CA 0.398 58.537 58.200 -0.101 0.000 0.976 473 S CB 0.437 63.626 63.200 -0.017 0.000 0.921 473 S HN 1.520 nan 8.310 nan 0.000 0.516 474 G N 1.826 110.556 108.800 -0.117 0.000 2.320 474 G HA2 0.258 4.217 3.960 -0.002 0.000 0.297 474 G HA3 0.258 4.217 3.960 -0.002 0.000 0.297 474 G C -3.003 171.855 174.900 -0.070 0.000 1.344 474 G CA -0.639 44.425 45.100 -0.061 0.000 0.851 474 G HN -0.196 nan 8.290 nan 0.000 0.567 475 P HA 0.125 nan 4.420 nan 0.000 0.229 475 P C 1.266 178.570 177.300 0.006 0.000 1.160 475 P CA 1.460 64.567 63.100 0.012 0.000 0.777 475 P CB 0.359 32.068 31.700 0.015 0.000 0.814 476 G N 0.180 108.918 108.800 -0.104 0.000 2.543 476 G HA2 0.436 4.395 3.960 -0.002 0.000 0.267 476 G HA3 0.436 4.395 3.960 -0.002 0.000 0.267 476 G C -0.406 174.217 174.900 -0.461 0.000 1.406 476 G CA -0.793 44.164 45.100 -0.239 0.000 1.048 476 G HN 0.024 nan 8.290 nan 0.000 0.548 477 L N 1.466 122.344 121.223 -0.576 0.000 2.453 477 L HA 0.155 4.494 4.340 -0.002 0.000 0.272 477 L C -1.854 174.804 176.870 -0.353 0.000 1.182 477 L CA -1.229 53.226 54.840 -0.641 0.000 0.858 477 L CB 0.744 42.532 42.059 -0.452 0.000 1.120 477 L HN 0.223 nan 8.230 nan 0.000 0.474 478 P HA 0.008 nan 4.420 nan 0.000 0.263 478 P C -0.823 176.289 177.300 -0.312 0.000 1.175 478 P CA 0.388 63.334 63.100 -0.258 0.000 0.761 478 P CB 0.462 32.106 31.700 -0.094 0.000 0.794 479 L N 4.565 125.486 121.223 -0.502 0.000 2.476 479 L HA 0.402 4.741 4.340 -0.002 0.000 0.269 479 L C -1.505 175.107 176.870 -0.430 0.000 0.965 479 L CA -0.760 53.882 54.840 -0.331 0.000 0.845 479 L CB 1.174 43.117 42.059 -0.193 0.000 1.259 479 L HN 0.351 nan 8.230 nan 0.000 0.403 480 Y N 2.453 122.715 120.300 -0.064 0.000 2.328 480 Y HA 0.545 5.093 4.550 -0.002 0.000 0.337 480 Y C 0.653 176.450 175.900 -0.170 0.000 0.966 480 Y CA -0.535 57.504 58.100 -0.100 0.000 1.136 480 Y CB 2.079 40.448 38.460 -0.152 0.000 1.170 480 Y HN 0.530 nan 8.280 nan 0.000 0.470 481 T N 1.312 115.885 114.554 0.032 0.000 2.916 481 T HA 0.690 5.039 4.350 -0.002 0.000 0.292 481 T C -1.126 173.563 174.700 -0.019 0.000 1.055 481 T CA -0.960 61.118 62.100 -0.036 0.000 1.009 481 T CB 1.729 70.633 68.868 0.061 0.000 1.118 481 T HN 0.507 nan 8.240 nan 0.000 0.497 482 L N 1.497 122.601 121.223 -0.199 0.000 2.334 482 L HA 0.594 4.933 4.340 -0.002 0.000 0.273 482 L C -0.496 176.111 176.870 -0.438 0.000 1.013 482 L CA -0.833 53.913 54.840 -0.156 0.000 0.816 482 L CB 1.519 43.489 42.059 -0.148 0.000 1.278 482 L HN 0.834 nan 8.230 nan 0.000 0.431 483 H N 0.739 119.581 119.070 -0.380 0.000 3.012 483 H HA 0.248 4.803 4.556 -0.002 0.000 0.367 483 H C -0.813 174.266 175.328 -0.415 0.000 1.211 483 H CA -0.708 55.007 56.048 -0.555 0.000 1.139 483 H CB 2.410 31.490 29.762 -1.138 0.000 1.838 483 H HN 0.535 nan 8.280 nan 0.000 0.550 484 S N 0.760 116.383 115.700 -0.130 0.000 2.489 484 S HA 0.193 4.662 4.470 -0.002 0.000 0.291 484 S C 0.774 175.316 174.600 -0.097 0.000 1.151 484 S CA -0.613 57.532 58.200 -0.091 0.000 1.082 484 S CB 1.806 64.989 63.200 -0.027 0.000 1.019 484 S HN 0.573 nan 8.310 nan 0.000 0.492 485 S N 2.066 117.709 115.700 -0.094 0.000 2.402 485 S HA -0.114 4.355 4.470 -0.002 0.000 0.229 485 S C 2.102 176.727 174.600 0.043 0.000 1.021 485 S CA 1.238 59.485 58.200 0.078 0.000 0.974 485 S CB -0.880 62.351 63.200 0.052 0.000 0.800 485 S HN 0.847 nan 8.310 nan 0.000 0.484 486 V N 1.767 121.661 119.914 -0.033 0.000 2.214 486 V HA -0.232 3.887 4.120 -0.002 0.000 0.247 486 V C 1.003 177.104 176.094 0.012 0.000 1.051 486 V CA 2.182 64.478 62.300 -0.007 0.000 1.003 486 V CB -1.053 30.750 31.823 -0.032 0.000 0.635 486 V HN 0.469 nan 8.190 nan 0.000 0.447 487 N N -0.734 117.966 118.700 0.001 0.000 2.234 487 N HA 0.172 4.911 4.740 -0.002 0.000 0.227 487 N C -0.443 175.073 175.510 0.011 0.000 1.151 487 N CA 0.349 53.403 53.050 0.005 0.000 0.865 487 N CB 0.238 38.724 38.487 -0.000 0.000 1.066 487 N HN 0.470 nan 8.380 nan 0.000 0.515 488 D N 1.642 122.062 120.400 0.034 0.000 2.686 488 D HA -0.200 4.439 4.640 -0.002 0.000 0.235 488 D C -0.101 176.224 176.300 0.042 0.000 1.160 488 D CA 1.090 55.135 54.000 0.075 0.000 0.645 488 D CB -0.483 40.366 40.800 0.082 0.000 1.039 488 D HN 0.513 nan 8.370 nan 0.000 0.423 489 K N 0.252 120.648 120.400 -0.006 0.000 2.205 489 K HA 0.417 4.736 4.320 -0.002 0.000 0.279 489 K C 0.537 177.069 176.600 -0.112 0.000 1.027 489 K CA -0.310 55.955 56.287 -0.038 0.000 0.932 489 K CB 1.078 33.551 32.500 -0.044 0.000 1.032 489 K HN 0.026 nan 8.250 nan 0.000 0.466 490 G N 4.770 113.475 108.800 -0.159 0.000 2.389 490 G HA2 0.136 4.095 3.960 -0.002 0.000 0.287 490 G HA3 0.136 4.095 3.960 -0.002 0.000 0.287 490 G C 0.657 175.366 174.900 -0.319 0.000 1.126 490 G CA -0.484 44.371 45.100 -0.408 0.000 1.073 490 G HN 0.725 nan 8.290 nan 0.000 0.429 491 L N 1.947 122.953 121.223 -0.363 0.000 1.988 491 L HA 0.173 4.512 4.340 -0.002 0.000 0.207 491 L C 1.759 178.516 176.870 -0.189 0.000 1.071 491 L CA 1.212 55.926 54.840 -0.210 0.000 0.744 491 L CB -0.214 41.747 42.059 -0.164 0.000 0.893 491 L HN 0.723 nan 8.230 nan 0.000 0.433 492 R N -2.059 118.299 120.500 -0.236 0.000 2.712 492 R HA 0.447 4.785 4.340 -0.002 0.000 0.272 492 R C -1.623 174.550 176.300 -0.211 0.000 1.032 492 R CA -0.890 55.101 56.100 -0.181 0.000 0.874 492 R CB 1.476 31.699 30.300 -0.129 0.000 1.256 492 R HN -0.263 nan 8.270 nan 0.000 0.468 493 V N 2.858 122.674 119.914 -0.164 0.000 2.498 493 V HA 0.180 4.299 4.120 -0.002 0.000 0.279 493 V C 1.162 177.126 176.094 -0.215 0.000 1.048 493 V CA -0.335 61.869 62.300 -0.160 0.000 0.967 493 V CB 1.273 33.034 31.823 -0.104 0.000 0.988 493 V HN 0.662 nan 8.190 nan 0.000 0.473 494 L N 2.623 123.660 121.223 -0.310 0.000 2.298 494 L HA 0.338 4.677 4.340 -0.002 0.000 0.209 494 L C 0.568 177.186 176.870 -0.419 0.000 1.084 494 L CA 0.552 55.029 54.840 -0.604 0.000 0.816 494 L CB 0.302 41.679 42.059 -1.138 0.000 0.967 494 L HN 0.704 nan 8.230 nan 0.000 0.460 495 E N -0.222 119.888 120.200 -0.149 0.000 2.506 495 E HA 0.085 4.434 4.350 -0.002 0.000 0.308 495 E C -1.320 175.332 176.600 0.087 0.000 0.931 495 E CA -0.327 56.096 56.400 0.037 0.000 0.800 495 E CB 0.970 30.766 29.700 0.160 0.000 1.292 495 E HN 0.158 nan 8.360 nan 0.000 0.401 496 D N 2.755 123.181 120.400 0.043 0.000 2.469 496 D HA 0.185 4.824 4.640 -0.002 0.000 0.213 496 D C -0.194 176.109 176.300 0.005 0.000 1.135 496 D CA -0.279 53.723 54.000 0.004 0.000 0.834 496 D CB 0.067 40.855 40.800 -0.020 0.000 1.009 496 D HN 0.410 nan 8.370 nan 0.000 0.507 497 N N 0.453 119.183 118.700 0.050 0.000 2.721 497 N HA -0.228 4.511 4.740 -0.002 0.000 0.249 497 N C 1.080 176.598 175.510 0.014 0.000 1.072 497 N CA 0.937 54.012 53.050 0.043 0.000 0.710 497 N CB -1.270 37.228 38.487 0.018 0.000 0.993 497 N HN 0.509 nan 8.380 nan 0.000 0.547 498 S N -1.139 114.572 115.700 0.017 0.000 2.368 498 S HA -0.044 4.425 4.470 -0.002 0.000 0.225 498 S C 2.093 176.709 174.600 0.027 0.000 1.030 498 S CA 1.088 59.294 58.200 0.009 0.000 0.999 498 S CB -0.224 62.982 63.200 0.010 0.000 0.844 498 S HN 0.489 nan 8.310 nan 0.000 0.459 499 A N 2.604 125.451 122.820 0.044 0.000 1.851 499 A HA 0.054 4.372 4.320 -0.002 0.000 0.216 499 A C 2.323 179.955 177.584 0.079 0.000 1.195 499 A CA 1.554 53.626 52.037 0.059 0.000 0.622 499 A CB -1.147 17.892 19.000 0.064 0.000 0.831 499 A HN 0.542 nan 8.150 nan 0.000 0.444 500 L N -0.039 121.239 121.223 0.091 0.000 2.043 500 L HA -0.259 4.079 4.340 -0.002 0.000 0.212 500 L C 2.220 179.146 176.870 0.093 0.000 1.075 500 L CA 2.937 57.854 54.840 0.128 0.000 0.752 500 L CB -0.714 41.422 42.059 0.129 0.000 0.891 500 L HN 0.645 nan 8.230 nan 0.000 0.432 501 D N -0.018 120.402 120.400 0.034 0.000 2.218 501 D HA -0.270 4.368 4.640 -0.002 0.000 0.204 501 D C 2.136 178.450 176.300 0.023 0.000 0.976 501 D CA 1.621 55.620 54.000 -0.001 0.000 0.853 501 D CB 0.083 40.862 40.800 -0.034 0.000 0.939 501 D HN 0.499 nan 8.370 nan 0.000 0.481 502 K N -0.492 119.935 120.400 0.046 0.000 2.228 502 K HA -0.028 4.291 4.320 -0.002 0.000 0.202 502 K C 2.009 178.656 176.600 0.080 0.000 1.051 502 K CA 0.970 57.288 56.287 0.051 0.000 0.960 502 K CB -0.214 32.317 32.500 0.051 0.000 0.743 502 K HN 0.178 nan 8.250 nan 0.000 0.458 503 M N 0.639 120.313 119.600 0.122 0.000 2.156 503 M HA 0.024 4.502 4.480 -0.002 0.000 0.264 503 M C 1.912 178.301 176.300 0.148 0.000 1.067 503 M CA 1.353 56.774 55.300 0.201 0.000 1.131 503 M CB -0.151 32.661 32.600 0.353 0.000 1.368 503 M HN 0.119 nan 8.290 nan 0.000 0.416 504 L N -0.203 121.059 121.223 0.065 0.000 2.362 504 L HA -0.175 4.164 4.340 -0.002 0.000 0.219 504 L C 2.242 179.102 176.870 -0.017 0.000 1.134 504 L CA 0.812 55.625 54.840 -0.045 0.000 0.807 504 L CB -0.575 41.456 42.059 -0.048 0.000 0.927 504 L HN 0.417 nan 8.230 nan 0.000 0.447 505 Q N -0.331 119.479 119.800 0.016 0.000 2.291 505 Q HA -0.148 4.190 4.340 -0.002 0.000 0.205 505 Q C 1.764 177.783 176.000 0.032 0.000 0.970 505 Q CA 0.835 56.649 55.803 0.018 0.000 0.876 505 Q CB -0.074 28.678 28.738 0.023 0.000 0.935 505 Q HN 0.567 nan 8.270 nan 0.000 0.455 506 N N 0.013 118.743 118.700 0.050 0.000 2.270 506 N HA -0.039 4.699 4.740 -0.002 0.000 0.181 506 N C 0.148 175.694 175.510 0.059 0.000 1.016 506 N CA 0.471 53.562 53.050 0.068 0.000 0.870 506 N CB 0.499 39.051 38.487 0.109 0.000 0.979 506 N HN -0.015 nan 8.380 nan 0.000 0.431 507 V N 1.768 121.698 119.914 0.026 0.000 2.617 507 V HA 0.131 4.250 4.120 -0.002 0.000 0.298 507 V C 0.205 176.296 176.094 -0.005 0.000 1.048 507 V CA -0.531 61.777 62.300 0.013 0.000 0.964 507 V CB 1.767 33.551 31.823 -0.064 0.000 1.004 507 V HN 0.106 nan 8.190 nan 0.000 0.466 508 Q N 3.803 123.606 119.800 0.005 0.000 2.452 508 Q HA 0.305 4.644 4.340 -0.002 0.000 0.230 508 Q C -0.525 175.437 176.000 -0.064 0.000 1.180 508 Q CA -0.150 55.625 55.803 -0.047 0.000 0.914 508 Q CB 0.361 29.071 28.738 -0.046 0.000 1.408 508 Q HN 0.521 nan 8.270 nan 0.000 0.520 509 M N 3.527 123.079 119.600 -0.080 0.000 2.288 509 M HA 0.389 4.868 4.480 -0.002 0.000 0.334 509 M C -2.043 174.193 176.300 -0.105 0.000 1.150 509 M CA -2.479 52.769 55.300 -0.088 0.000 1.118 509 M CB 0.162 32.712 32.600 -0.084 0.000 1.501 509 M HN 0.298 nan 8.290 nan 0.000 0.462 510 P HA 0.240 nan 4.420 nan 0.000 0.276 510 P C -0.730 176.506 177.300 -0.107 0.000 1.252 510 P CA -0.350 62.679 63.100 -0.118 0.000 0.802 510 P CB 0.636 32.258 31.700 -0.130 0.000 1.035 511 S N 0.042 115.672 115.700 -0.116 0.000 2.747 511 S HA 0.613 5.082 4.470 -0.002 0.000 0.300 511 S C -0.495 174.033 174.600 -0.119 0.000 1.121 511 S CA -0.727 57.414 58.200 -0.098 0.000 0.995 511 S CB 1.632 64.775 63.200 -0.095 0.000 1.113 511 S HN 0.511 nan 8.310 nan 0.000 0.547 512 K N 0.377 120.724 120.400 -0.088 0.000 2.378 512 K HA 0.398 4.717 4.320 -0.002 0.000 0.252 512 K C -1.489 175.069 176.600 -0.070 0.000 0.931 512 K CA -0.641 55.600 56.287 -0.077 0.000 0.794 512 K CB 1.317 33.792 32.500 -0.041 0.000 1.181 512 K HN 0.575 nan 8.250 nan 0.000 0.425 513 K N 5.651 126.009 120.400 -0.070 0.000 2.394 513 K HA 0.309 4.628 4.320 -0.002 0.000 0.260 513 K C -1.417 175.171 176.600 -0.019 0.000 0.967 513 K CA -0.529 55.724 56.287 -0.057 0.000 0.855 513 K CB 0.982 33.424 32.500 -0.096 0.000 1.101 513 K HN 0.692 nan 8.250 nan 0.000 0.433 514 L N 4.420 125.638 121.223 -0.008 0.000 2.276 514 L HA 0.297 4.636 4.340 -0.002 0.000 0.286 514 L C -0.557 176.297 176.870 -0.027 0.000 1.024 514 L CA -0.101 54.757 54.840 0.029 0.000 0.826 514 L CB 0.999 43.138 42.059 0.133 0.000 1.211 514 L HN 0.711 nan 8.230 nan 0.000 0.422 515 D N 2.831 123.000 120.400 -0.385 0.000 2.989 515 D HA 0.598 5.236 4.640 -0.002 0.000 0.284 515 D C -1.263 174.570 176.300 -0.779 0.000 1.212 515 D CA 0.063 53.716 54.000 -0.579 0.000 1.055 515 D CB 1.693 42.131 40.800 -0.603 0.000 1.351 515 D HN 0.177 nan 8.370 nan 0.000 0.611 516 F N -0.615 118.924 119.950 -0.685 0.000 2.779 516 F HA 0.660 5.186 4.527 -0.002 0.000 0.316 516 F C -1.235 174.618 175.800 0.088 0.000 1.164 516 F CA -1.167 56.559 58.000 -0.457 0.000 0.924 516 F CB 0.763 39.055 39.000 -1.180 0.000 1.348 516 F HN 0.318 nan 8.300 nan 0.000 0.467 517 I N -0.260 120.639 120.570 0.549 0.000 3.074 517 I HA 0.653 4.822 4.170 -0.002 0.000 0.310 517 I C -1.660 174.738 176.117 0.468 0.000 1.153 517 I CA -1.182 60.389 61.300 0.450 0.000 0.993 517 I CB 2.437 40.681 38.000 0.407 0.000 1.237 517 I HN 0.547 nan 8.210 nan 0.000 0.443 518 I N 4.366 125.137 120.570 0.336 0.000 2.359 518 I HA 0.494 4.663 4.170 -0.002 0.000 0.294 518 I C -0.578 175.702 176.117 0.272 0.000 0.987 518 I CA -0.572 60.895 61.300 0.278 0.000 1.225 518 I CB 1.445 39.558 38.000 0.188 0.000 1.366 518 I HN 0.483 nan 8.210 nan 0.000 0.466 519 L N 6.798 128.233 121.223 0.354 0.000 2.438 519 L HA 0.421 4.760 4.340 -0.002 0.000 0.270 519 L C -0.235 176.788 176.870 0.256 0.000 0.972 519 L CA -0.936 54.070 54.840 0.277 0.000 0.831 519 L CB 1.518 43.734 42.059 0.261 0.000 1.273 519 L HN 0.506 nan 8.230 nan 0.000 0.405 520 N N 2.611 121.395 118.700 0.140 0.000 2.688 520 N HA -0.220 4.519 4.740 -0.002 0.000 0.258 520 N C 0.028 175.596 175.510 0.097 0.000 1.016 520 N CA 1.251 54.361 53.050 0.100 0.000 0.747 520 N CB -0.907 37.632 38.487 0.086 0.000 0.895 520 N HN 0.854 nan 8.380 nan 0.000 0.543 521 E N -2.732 117.518 120.200 0.083 0.000 2.539 521 E HA -0.263 4.086 4.350 -0.002 0.000 0.253 521 E C -0.787 175.828 176.600 0.025 0.000 1.145 521 E CA 1.340 57.771 56.400 0.051 0.000 0.738 521 E CB -1.270 28.448 29.700 0.030 0.000 1.308 521 E HN 0.538 nan 8.360 nan 0.000 0.409 522 T N 0.285 114.869 114.554 0.049 0.000 2.921 522 T HA 0.296 4.645 4.350 -0.002 0.000 0.297 522 T C -0.377 174.201 174.700 -0.204 0.000 1.013 522 T CA -0.968 61.064 62.100 -0.113 0.000 0.990 522 T CB 1.553 70.327 68.868 -0.158 0.000 1.023 522 T HN -0.004 nan 8.240 nan 0.000 0.447 523 K N 2.339 122.531 120.400 -0.346 0.000 2.322 523 K HA 0.504 4.822 4.320 -0.002 0.000 0.283 523 K C -1.056 175.254 176.600 -0.484 0.000 1.042 523 K CA -0.190 55.910 56.287 -0.312 0.000 0.958 523 K CB 0.588 32.735 32.500 -0.587 0.000 0.984 523 K HN 0.423 nan 8.250 nan 0.000 0.473 524 F N 1.665 121.691 119.950 0.128 0.000 2.518 524 F HA 0.300 4.826 4.527 -0.002 0.000 0.323 524 F C -0.521 175.402 175.800 0.205 0.000 1.129 524 F CA -0.889 57.197 58.000 0.143 0.000 0.920 524 F CB 0.995 40.074 39.000 0.132 0.000 1.160 524 F HN 0.441 nan 8.300 nan 0.000 0.440 525 W N 3.476 124.908 121.300 0.219 0.000 2.303 525 W HA 0.520 5.178 4.660 -0.002 0.000 0.334 525 W C -0.602 176.097 176.519 0.301 0.000 1.197 525 W CA -0.444 57.040 57.345 0.232 0.000 1.262 525 W CB 0.655 30.191 29.460 0.126 0.000 1.153 525 W HN 0.445 nan 8.180 nan 0.000 0.596 526 Y N -0.570 120.058 120.300 0.548 0.000 2.625 526 Y HA 0.618 5.167 4.550 -0.002 0.000 0.338 526 Y C -0.827 175.277 175.900 0.341 0.000 1.123 526 Y CA -1.923 56.470 58.100 0.489 0.000 1.046 526 Y CB 0.901 39.757 38.460 0.661 0.000 1.299 526 Y HN 0.579 nan 8.280 nan 0.000 0.464 527 Q N 2.030 122.116 119.800 0.476 0.000 2.496 527 Q HA 0.843 5.182 4.340 -0.002 0.000 0.286 527 Q C -1.614 174.553 176.000 0.278 0.000 1.103 527 Q CA -1.271 54.704 55.803 0.286 0.000 0.813 527 Q CB 3.357 32.197 28.738 0.171 0.000 1.444 527 Q HN 0.842 nan 8.270 nan 0.000 0.443 528 M N 1.924 121.596 119.600 0.121 0.000 2.238 528 M HA 0.353 4.832 4.480 -0.002 0.000 0.278 528 M C -1.591 174.669 176.300 -0.065 0.000 1.040 528 M CA -0.660 54.642 55.300 0.004 0.000 0.969 528 M CB 2.148 34.697 32.600 -0.084 0.000 1.694 528 M HN 0.606 nan 8.290 nan 0.000 0.472 529 I N 4.389 124.920 120.570 -0.064 0.000 2.379 529 I HA 0.251 4.420 4.170 -0.002 0.000 0.290 529 I C -0.480 175.537 176.117 -0.166 0.000 1.063 529 I CA 0.257 61.492 61.300 -0.109 0.000 1.351 529 I CB 0.284 38.228 38.000 -0.093 0.000 1.410 529 I HN 0.503 nan 8.210 nan 0.000 0.505 530 L N 8.857 129.941 121.223 -0.232 0.000 2.322 530 L HA 0.561 4.900 4.340 -0.002 0.000 0.279 530 L C -2.219 174.530 176.870 -0.202 0.000 1.036 530 L CA -1.816 52.828 54.840 -0.328 0.000 0.807 530 L CB 0.936 42.637 42.059 -0.597 0.000 1.226 530 L HN 0.340 nan 8.230 nan 0.000 0.433 531 P HA 0.123 nan 4.420 nan 0.000 0.272 531 P C -2.502 174.777 177.300 -0.036 0.000 1.223 531 P CA -1.233 61.836 63.100 -0.051 0.000 0.784 531 P CB -0.273 31.462 31.700 0.059 0.000 0.923 532 P HA -0.128 nan 4.420 nan 0.000 0.263 532 P C -0.393 176.817 177.300 -0.150 0.000 1.175 532 P CA 0.838 63.796 63.100 -0.236 0.000 0.761 532 P CB -0.435 31.054 31.700 -0.351 0.000 0.794 533 H N -1.756 117.351 119.070 0.063 0.000 2.770 533 H HA -0.211 4.344 4.556 -0.002 0.000 0.309 533 H C 0.202 175.579 175.328 0.081 0.000 1.206 533 H CA -0.274 55.810 56.048 0.059 0.000 1.147 533 H CB -2.331 27.457 29.762 0.044 0.000 1.422 533 H HN 0.371 nan 8.280 nan 0.000 0.420 534 F N 1.959 121.908 119.950 -0.003 0.000 2.595 534 F HA 0.186 4.712 4.527 -0.002 0.000 0.359 534 F C 0.482 176.258 175.800 -0.040 0.000 1.147 534 F CA 0.175 58.114 58.000 -0.103 0.000 1.341 534 F CB 0.689 39.524 39.000 -0.275 0.000 1.104 534 F HN 0.275 nan 8.300 nan 0.000 0.603 535 D N 5.509 125.285 120.400 -1.042 0.000 2.386 535 D HA 0.081 4.720 4.640 -0.002 0.000 0.247 535 D C 0.353 176.170 176.300 -0.806 0.000 1.336 535 D CA -0.449 53.179 54.000 -0.619 0.000 0.976 535 D CB 1.042 41.727 40.800 -0.193 0.000 1.257 535 D HN 0.726 nan 8.370 nan 0.000 0.570 536 K N 0.879 120.828 120.400 -0.751 0.000 2.520 536 K HA -0.096 4.222 4.320 -0.002 0.000 0.197 536 K C 0.880 177.439 176.600 -0.069 0.000 1.043 536 K CA 0.947 56.995 56.287 -0.398 0.000 0.944 536 K CB -0.075 32.332 32.500 -0.155 0.000 0.770 536 K HN 0.166 nan 8.250 nan 0.000 0.480 537 S N -0.390 115.248 115.700 -0.104 0.000 2.577 537 S HA 0.167 4.636 4.470 -0.002 0.000 0.219 537 S C 0.193 174.769 174.600 -0.040 0.000 0.962 537 S CA -0.688 57.489 58.200 -0.038 0.000 0.921 537 S CB 0.157 63.327 63.200 -0.050 0.000 0.789 537 S HN 0.095 nan 8.310 nan 0.000 0.497 538 K N 1.263 121.637 120.400 -0.043 0.000 2.211 538 K HA 0.518 4.837 4.320 -0.002 0.000 0.237 538 K C -0.571 176.013 176.600 -0.027 0.000 1.002 538 K CA -0.703 55.518 56.287 -0.110 0.000 0.885 538 K CB 0.697 33.026 32.500 -0.285 0.000 1.136 538 K HN -0.003 nan 8.250 nan 0.000 0.448 539 K N 1.660 121.959 120.400 -0.168 0.000 2.274 539 K HA 0.346 4.665 4.320 -0.002 0.000 0.262 539 K C -0.840 175.630 176.600 -0.217 0.000 0.961 539 K CA -0.541 55.705 56.287 -0.068 0.000 0.833 539 K CB 0.872 33.324 32.500 -0.081 0.000 1.102 539 K HN 0.439 nan 8.250 nan 0.000 0.436 540 Y N 2.773 123.095 120.300 0.035 0.000 2.409 540 Y HA 0.297 4.846 4.550 -0.002 0.000 0.339 540 Y C -1.823 174.014 175.900 -0.104 0.000 1.033 540 Y CA -2.361 55.744 58.100 0.008 0.000 1.094 540 Y CB 1.328 39.870 38.460 0.136 0.000 1.210 540 Y HN 0.436 nan 8.280 nan 0.000 0.456 541 P HA 0.148 nan 4.420 nan 0.000 0.272 541 P C -1.055 176.152 177.300 -0.153 0.000 1.223 541 P CA -0.132 62.700 63.100 -0.446 0.000 0.784 541 P CB 1.547 32.673 31.700 -0.957 0.000 0.923 542 L N 2.526 123.691 121.223 -0.096 0.000 2.410 542 L HA 0.514 4.853 4.340 -0.002 0.000 0.270 542 L C -1.190 175.892 176.870 0.355 0.000 0.983 542 L CA -0.983 53.943 54.840 0.142 0.000 0.822 542 L CB 1.693 43.817 42.059 0.108 0.000 1.285 542 L HN 0.254 nan 8.230 nan 0.000 0.409 543 L N 5.889 127.326 121.223 0.356 0.000 2.296 543 L HA 0.461 4.800 4.340 -0.002 0.000 0.286 543 L C -1.090 176.016 176.870 0.394 0.000 1.023 543 L CA -0.655 54.432 54.840 0.412 0.000 0.812 543 L CB 1.553 43.801 42.059 0.316 0.000 1.223 543 L HN 0.677 nan 8.230 nan 0.000 0.421 544 L N 5.109 126.609 121.223 0.463 0.000 2.261 544 L HA 0.243 4.582 4.340 -0.002 0.000 0.289 544 L C -0.530 176.579 176.870 0.398 0.000 1.059 544 L CA -0.302 54.798 54.840 0.434 0.000 0.816 544 L CB 1.001 43.346 42.059 0.476 0.000 1.191 544 L HN 0.608 nan 8.230 nan 0.000 0.431 545 D N 4.586 125.204 120.400 0.363 0.000 2.313 545 D HA 0.276 4.915 4.640 -0.002 0.000 0.239 545 D C -0.798 175.601 176.300 0.165 0.000 1.142 545 D CA -0.156 54.001 54.000 0.262 0.000 0.847 545 D CB 1.415 42.435 40.800 0.367 0.000 1.082 545 D HN 0.103 nan 8.370 nan 0.000 0.480 546 V N 5.430 125.363 119.914 0.032 0.000 2.513 546 V HA 0.281 4.400 4.120 -0.002 0.000 0.299 546 V C -0.146 176.038 176.094 0.151 0.000 1.035 546 V CA -0.644 61.725 62.300 0.115 0.000 0.889 546 V CB 1.415 33.289 31.823 0.086 0.000 0.988 546 V HN 0.623 nan 8.190 nan 0.000 0.440 547 Y N 3.486 123.855 120.300 0.116 0.000 3.059 547 Y HA 0.528 5.077 4.550 -0.002 0.000 0.212 547 Y C 1.681 177.712 175.900 0.218 0.000 0.947 547 Y CA 1.165 59.358 58.100 0.156 0.000 1.571 547 Y CB 0.092 38.627 38.460 0.125 0.000 1.432 547 Y HN 0.710 nan 8.280 nan 0.000 0.450 548 A N 0.583 123.531 122.820 0.214 0.000 2.979 548 A HA -0.164 4.155 4.320 -0.002 0.000 0.260 548 A C 1.038 178.523 177.584 -0.166 0.000 1.282 548 A CA 0.912 53.016 52.037 0.112 0.000 0.971 548 A CB -2.560 16.552 19.000 0.186 0.000 1.124 548 A HN 0.983 nan 8.150 nan 0.000 0.826 549 G N -0.663 107.758 108.800 -0.633 0.000 2.636 549 G HA2 0.450 4.409 3.960 -0.002 0.000 0.246 549 G HA3 0.450 4.409 3.960 -0.002 0.000 0.246 549 G C -2.092 172.560 174.900 -0.413 0.000 1.216 549 G CA -0.492 43.878 45.100 -1.216 0.000 0.854 549 G HN 0.327 nan 8.290 nan 0.000 0.572 550 P HA 0.054 nan 4.420 nan 0.000 0.262 550 P C 0.641 177.879 177.300 -0.104 0.000 1.182 550 P CA 0.075 62.981 63.100 -0.324 0.000 0.761 550 P CB 0.651 31.843 31.700 -0.846 0.000 0.795 551 C N 2.385 121.659 119.300 -0.044 0.000 4.397 551 C HA -0.145 4.314 4.460 -0.002 0.000 0.291 551 C C 0.905 176.005 174.990 0.183 0.000 1.408 551 C CA 1.165 60.137 59.018 -0.076 0.000 1.971 551 C CB -2.735 24.793 27.740 -0.353 0.000 1.258 551 C HN 0.808 nan 8.230 nan 0.000 0.795 552 S N -0.067 115.777 115.700 0.241 0.000 2.672 552 S HA 0.668 5.137 4.470 -0.002 0.000 0.276 552 S C -0.715 174.085 174.600 0.333 0.000 1.207 552 S CA -0.092 58.322 58.200 0.356 0.000 1.002 552 S CB 1.789 65.254 63.200 0.441 0.000 0.998 552 S HN 0.803 nan 8.310 nan 0.000 0.542 553 Q N 0.082 120.079 119.800 0.328 0.000 2.275 553 Q HA 0.358 4.697 4.340 -0.002 0.000 0.258 553 Q C -0.709 175.414 176.000 0.205 0.000 0.960 553 Q CA -0.660 55.309 55.803 0.276 0.000 0.801 553 Q CB 1.159 30.081 28.738 0.306 0.000 1.302 553 Q HN 0.699 nan 8.270 nan 0.000 0.433 554 K N 1.005 121.530 120.400 0.207 0.000 2.354 554 K HA 0.309 4.628 4.320 -0.002 0.000 0.194 554 K C -0.243 176.465 176.600 0.180 0.000 1.038 554 K CA 0.331 56.733 56.287 0.191 0.000 1.052 554 K CB 1.375 34.017 32.500 0.238 0.000 0.861 554 K HN 0.505 nan 8.250 nan 0.000 0.535 555 A N 2.952 125.886 122.820 0.190 0.000 2.322 555 A HA 0.407 4.726 4.320 -0.002 0.000 0.327 555 A C -0.776 176.873 177.584 0.108 0.000 1.394 555 A CA -0.547 51.604 52.037 0.189 0.000 0.921 555 A CB 0.111 19.288 19.000 0.294 0.000 1.153 555 A HN 0.225 nan 8.150 nan 0.000 0.523 556 D N 0.034 120.469 120.400 0.059 0.000 2.752 556 D HA 0.412 5.051 4.640 -0.002 0.000 0.313 556 D C 0.397 176.688 176.300 -0.014 0.000 1.225 556 D CA 0.274 54.284 54.000 0.017 0.000 0.976 556 D CB 0.254 41.047 40.800 -0.011 0.000 1.443 556 D HN 0.160 nan 8.370 nan 0.000 0.515 557 T N -2.377 112.169 114.554 -0.013 0.000 3.145 557 T HA 0.321 4.670 4.350 -0.002 0.000 0.255 557 T C 0.534 175.163 174.700 -0.119 0.000 1.039 557 T CA -0.374 61.720 62.100 -0.010 0.000 0.928 557 T CB -0.665 68.254 68.868 0.085 0.000 1.029 557 T HN 0.285 nan 8.240 nan 0.000 0.554 558 V N 2.589 122.312 119.914 -0.319 0.000 2.740 558 V HA 0.307 4.426 4.120 -0.002 0.000 0.303 558 V C 0.139 176.175 176.094 -0.096 0.000 1.054 558 V CA -0.937 61.169 62.300 -0.324 0.000 1.106 558 V CB -0.040 31.496 31.823 -0.478 0.000 0.957 558 V HN 0.565 nan 8.190 nan 0.000 0.486 559 F N 5.916 125.765 119.950 -0.168 0.000 2.394 559 F HA 0.658 5.184 4.527 -0.002 0.000 0.340 559 F C 0.352 176.095 175.800 -0.096 0.000 1.105 559 F CA -0.335 57.594 58.000 -0.119 0.000 1.124 559 F CB 0.504 39.440 39.000 -0.107 0.000 1.145 559 F HN 0.424 nan 8.300 nan 0.000 0.505 560 R N 6.579 126.539 120.500 -0.901 0.000 2.604 560 R HA 0.483 4.822 4.340 -0.002 0.000 0.281 560 R C -1.716 174.140 176.300 -0.740 0.000 1.020 560 R CA -1.004 54.721 56.100 -0.625 0.000 0.899 560 R CB 2.132 32.268 30.300 -0.273 0.000 1.205 560 R HN 0.693 nan 8.270 nan 0.000 0.450 561 L N 4.332 125.288 121.223 -0.446 0.000 2.283 561 L HA 0.418 4.757 4.340 -0.002 0.000 0.281 561 L C -0.491 176.403 176.870 0.040 0.000 1.033 561 L CA -0.673 53.978 54.840 -0.316 0.000 0.848 561 L CB 0.391 42.365 42.059 -0.141 0.000 1.226 561 L HN 0.735 nan 8.230 nan 0.000 0.429 562 N N 0.523 119.210 118.700 -0.022 0.000 3.316 562 N HA 0.128 4.867 4.740 -0.002 0.000 0.300 562 N C 0.176 175.443 175.510 -0.405 0.000 1.567 562 N CA -0.925 52.099 53.050 -0.044 0.000 0.821 562 N CB 0.284 38.782 38.487 0.019 0.000 1.748 562 N HN 0.298 nan 8.380 nan 0.000 0.603 563 W N 0.813 121.448 121.300 -1.108 0.000 2.321 563 W HA 0.031 4.690 4.660 -0.002 0.000 0.306 563 W C 2.025 178.448 176.519 -0.160 0.000 1.217 563 W CA 3.123 59.991 57.345 -0.795 0.000 1.257 563 W CB -1.041 28.072 29.460 -0.578 0.000 1.145 563 W HN 0.732 nan 8.180 nan 0.000 0.509 564 A N -0.669 122.074 122.820 -0.129 0.000 1.933 564 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 564 A C 1.956 179.433 177.584 -0.178 0.000 1.175 564 A CA 2.440 54.357 52.037 -0.200 0.000 0.628 564 A CB -1.297 17.684 19.000 -0.032 0.000 0.814 564 A HN 0.295 nan 8.150 nan 0.000 0.444 565 T N -0.994 113.483 114.554 -0.129 0.000 2.665 565 T HA -0.259 4.090 4.350 -0.002 0.000 0.268 565 T C 1.797 176.546 174.700 0.081 0.000 1.035 565 T CA 1.894 63.913 62.100 -0.134 0.000 1.151 565 T CB -0.552 68.063 68.868 -0.422 0.000 0.862 565 T HN 0.680 nan 8.240 nan 0.000 0.438 566 Y N 1.998 122.394 120.300 0.160 0.000 2.165 566 Y HA -0.083 4.466 4.550 -0.002 0.000 0.286 566 Y C 1.984 177.848 175.900 -0.059 0.000 1.155 566 Y CA 1.014 59.190 58.100 0.127 0.000 1.164 566 Y CB -0.734 37.764 38.460 0.064 0.000 0.978 566 Y HN 0.146 nan 8.280 nan 0.000 0.513 567 L N -0.063 120.738 121.223 -0.704 0.000 2.083 567 L HA -0.188 4.151 4.340 -0.002 0.000 0.209 567 L C 2.767 179.390 176.870 -0.411 0.000 1.083 567 L CA 1.239 55.606 54.840 -0.787 0.000 0.752 567 L CB -0.890 40.748 42.059 -0.702 0.000 0.899 567 L HN 0.418 nan 8.230 nan 0.000 0.433 568 A N -1.301 121.364 122.820 -0.258 0.000 1.903 568 A HA -0.149 4.170 4.320 -0.002 0.000 0.213 568 A C 2.499 180.024 177.584 -0.099 0.000 1.185 568 A CA 1.498 53.450 52.037 -0.142 0.000 0.628 568 A CB -0.519 18.405 19.000 -0.127 0.000 0.830 568 A HN 0.309 nan 8.150 nan 0.000 0.446 569 S N -0.960 114.692 115.700 -0.081 0.000 2.356 569 S HA -0.124 4.345 4.470 -0.002 0.000 0.223 569 S C 1.980 176.578 174.600 -0.003 0.000 1.032 569 S CA 2.372 60.564 58.200 -0.013 0.000 1.005 569 S CB -0.368 62.881 63.200 0.081 0.000 0.867 569 S HN 0.575 nan 8.310 nan 0.000 0.449 570 T N 1.025 115.548 114.554 -0.052 0.000 3.004 570 T HA 0.193 4.542 4.350 -0.002 0.000 0.243 570 T C 1.441 176.103 174.700 -0.063 0.000 1.020 570 T CA 0.500 62.591 62.100 -0.015 0.000 1.145 570 T CB -0.101 68.830 68.868 0.105 0.000 0.876 570 T HN 0.286 nan 8.240 nan 0.000 0.449 571 E N 1.373 121.453 120.200 -0.200 0.000 2.472 571 E HA 0.152 4.501 4.350 -0.002 0.000 0.196 571 E C 0.031 176.616 176.600 -0.024 0.000 1.033 571 E CA -0.026 56.307 56.400 -0.112 0.000 0.886 571 E CB -0.005 29.582 29.700 -0.188 0.000 0.944 571 E HN 0.336 nan 8.360 nan 0.000 0.492 572 N N 0.613 119.307 118.700 -0.010 0.000 2.758 572 N HA -0.197 4.542 4.740 -0.002 0.000 0.248 572 N C -0.580 175.031 175.510 0.169 0.000 1.076 572 N CA 0.601 53.717 53.050 0.109 0.000 0.696 572 N CB -1.650 36.928 38.487 0.152 0.000 0.979 572 N HN 0.251 nan 8.380 nan 0.000 0.550 573 I N 0.912 121.519 120.570 0.062 0.000 2.392 573 I HA 0.355 4.524 4.170 -0.002 0.000 0.295 573 I C 1.032 177.173 176.117 0.039 0.000 0.985 573 I CA -0.692 60.661 61.300 0.089 0.000 1.221 573 I CB 1.408 39.453 38.000 0.075 0.000 1.366 573 I HN -0.031 nan 8.210 nan 0.000 0.467 574 I N 6.162 126.771 120.570 0.064 0.000 2.416 574 I HA 0.155 4.324 4.170 -0.002 0.000 0.288 574 I C -0.469 175.667 176.117 0.032 0.000 1.051 574 I CA -0.374 60.924 61.300 -0.005 0.000 1.375 574 I CB 1.040 39.041 38.000 0.001 0.000 1.407 574 I HN 0.181 nan 8.210 nan 0.000 0.516 575 V N 7.032 126.948 119.914 0.003 0.000 2.313 575 V HA 0.483 4.602 4.120 -0.002 0.000 0.278 575 V C 0.460 176.609 176.094 0.092 0.000 1.017 575 V CA -0.468 61.875 62.300 0.071 0.000 0.823 575 V CB 1.061 32.910 31.823 0.044 0.000 1.010 575 V HN 0.841 nan 8.190 nan 0.000 0.443 576 A N 4.220 127.127 122.820 0.145 0.000 2.282 576 A HA 0.931 5.249 4.320 -0.002 0.000 0.319 576 A C 0.105 177.874 177.584 0.307 0.000 1.121 576 A CA -0.364 51.774 52.037 0.168 0.000 0.836 576 A CB 1.183 20.234 19.000 0.086 0.000 1.146 576 A HN 0.701 nan 8.150 nan 0.000 0.494 577 S N -0.614 115.309 115.700 0.372 0.000 2.564 577 S HA 0.740 5.209 4.470 -0.002 0.000 0.274 577 S C -1.496 173.460 174.600 0.595 0.000 1.124 577 S CA -0.323 58.131 58.200 0.423 0.000 0.869 577 S CB 1.423 64.815 63.200 0.320 0.000 1.105 577 S HN 0.812 nan 8.310 nan 0.000 0.472 578 F N 1.677 121.851 119.950 0.373 0.000 2.574 578 F HA 0.436 4.962 4.527 -0.002 0.000 0.313 578 F C -1.677 174.328 175.800 0.341 0.000 1.130 578 F CA -0.703 57.542 58.000 0.407 0.000 0.936 578 F CB 1.431 40.636 39.000 0.341 0.000 1.219 578 F HN 0.410 nan 8.300 nan 0.000 0.445 579 D N 4.757 125.009 120.400 -0.246 0.000 2.428 579 D HA 0.387 5.026 4.640 -0.002 0.000 0.221 579 D C 0.355 176.393 176.300 -0.435 0.000 1.123 579 D CA 0.207 54.115 54.000 -0.154 0.000 0.869 579 D CB 1.472 42.319 40.800 0.078 0.000 1.032 579 D HN 0.759 nan 8.370 nan 0.000 0.506 580 G N 1.413 110.079 108.800 -0.224 0.000 2.702 580 G HA2 0.342 4.301 3.960 -0.002 0.000 0.254 580 G HA3 0.342 4.301 3.960 -0.002 0.000 0.254 580 G C 0.133 175.091 174.900 0.096 0.000 1.380 580 G CA -0.769 44.261 45.100 -0.117 0.000 1.042 580 G HN 0.288 nan 8.290 nan 0.000 0.557 581 R N -0.951 119.589 120.500 0.067 0.000 2.698 581 R HA 0.335 4.673 4.340 -0.002 0.000 0.266 581 R C 1.397 177.794 176.300 0.161 0.000 1.026 581 R CA 1.533 57.730 56.100 0.162 0.000 1.102 581 R CB 0.303 30.669 30.300 0.110 0.000 0.978 581 R HN 1.114 nan 8.270 nan 0.000 0.436 582 G N 0.814 109.701 108.800 0.144 0.000 2.284 582 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.247 582 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.247 582 G C 0.155 175.095 174.900 0.066 0.000 1.012 582 G CA 0.287 45.455 45.100 0.112 0.000 0.618 582 G HN 0.754 nan 8.290 nan 0.000 0.521 583 S N 0.592 116.345 115.700 0.089 0.000 2.584 583 S HA 0.612 5.081 4.470 -0.002 0.000 0.270 583 S C 0.903 175.516 174.600 0.021 0.000 1.346 583 S CA 0.487 58.741 58.200 0.089 0.000 1.018 583 S CB 1.716 64.996 63.200 0.135 0.000 0.899 583 S HN 1.676 nan 8.310 nan 0.000 0.542 584 G N -0.361 108.431 108.800 -0.014 0.000 2.535 584 G HA2 0.485 4.444 3.960 -0.002 0.000 0.303 584 G HA3 0.485 4.444 3.960 -0.002 0.000 0.303 584 G C -0.911 173.896 174.900 -0.155 0.000 1.237 584 G CA -1.006 43.913 45.100 -0.301 0.000 0.986 584 G HN 1.007 nan 8.290 nan 0.000 0.494 585 Y N -2.481 117.828 120.300 0.014 0.000 4.569 585 Y HA -0.204 4.345 4.550 -0.002 0.000 0.237 585 Y C 1.381 177.296 175.900 0.026 0.000 1.090 585 Y CA 0.971 59.088 58.100 0.027 0.000 2.052 585 Y CB -2.118 36.373 38.460 0.052 0.000 1.621 585 Y HN 0.554 nan 8.280 nan 0.000 0.682 586 Q N -0.277 119.544 119.800 0.035 0.000 2.113 586 Q HA 0.496 4.834 4.340 -0.002 0.000 0.225 586 Q C 0.903 176.808 176.000 -0.157 0.000 0.786 586 Q CA 0.259 56.089 55.803 0.045 0.000 0.989 586 Q CB 1.961 30.720 28.738 0.034 0.000 1.174 586 Q HN 0.602 nan 8.270 nan 0.000 0.470 587 G N 0.789 109.356 108.800 -0.388 0.000 2.617 587 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.686 587 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.686 587 G C -0.646 173.895 174.900 -0.598 0.000 1.214 587 G CA -0.561 44.037 45.100 -0.836 0.000 0.796 587 G HN 0.046 nan 8.290 nan 0.000 0.654 588 D N 0.098 120.113 120.400 -0.641 0.000 2.218 588 D HA -0.056 4.583 4.640 -0.002 0.000 0.204 588 D C 2.253 178.285 176.300 -0.448 0.000 0.976 588 D CA 1.431 55.012 54.000 -0.697 0.000 0.853 588 D CB 0.061 40.477 40.800 -0.640 0.000 0.939 588 D HN 0.531 nan 8.370 nan 0.000 0.481 589 K N 0.800 121.005 120.400 -0.325 0.000 2.103 589 K HA -0.080 4.239 4.320 -0.002 0.000 0.207 589 K C 1.781 178.315 176.600 -0.110 0.000 1.048 589 K CA 1.073 57.258 56.287 -0.171 0.000 0.930 589 K CB -0.350 32.061 32.500 -0.149 0.000 0.716 589 K HN 0.181 nan 8.250 nan 0.000 0.444 590 I N -0.464 120.021 120.570 -0.141 0.000 2.585 590 I HA -0.054 4.115 4.170 -0.002 0.000 0.254 590 I C 2.411 178.512 176.117 -0.026 0.000 1.129 590 I CA 0.641 61.925 61.300 -0.026 0.000 1.455 590 I CB -0.038 37.962 38.000 -0.001 0.000 1.111 590 I HN 0.258 nan 8.210 nan 0.000 0.433 591 M N -0.131 119.366 119.600 -0.170 0.000 2.236 591 M HA -0.138 4.341 4.480 -0.002 0.000 0.266 591 M C 1.735 178.033 176.300 -0.003 0.000 1.070 591 M CA 1.659 56.867 55.300 -0.154 0.000 1.137 591 M CB -0.032 32.346 32.600 -0.369 0.000 1.378 591 M HN 0.212 nan 8.290 nan 0.000 0.426 592 H N -0.290 118.720 119.070 -0.099 0.000 2.539 592 H HA 0.309 4.863 4.556 -0.002 0.000 0.269 592 H C 1.850 177.226 175.328 0.079 0.000 0.980 592 H CA 0.631 56.644 56.048 -0.060 0.000 1.152 592 H CB -0.390 29.249 29.762 -0.205 0.000 1.407 592 H HN 0.462 nan 8.280 nan 0.000 0.564 593 A N 0.659 123.596 122.820 0.196 0.000 2.024 593 A HA -0.143 4.175 4.320 -0.002 0.000 0.220 593 A C 1.990 179.792 177.584 0.363 0.000 1.164 593 A CA 1.280 53.453 52.037 0.228 0.000 0.643 593 A CB -0.357 18.734 19.000 0.152 0.000 0.806 593 A HN 0.235 nan 8.150 nan 0.000 0.451 594 I N -0.363 120.390 120.570 0.306 0.000 3.883 594 I HA 0.081 4.250 4.170 -0.002 0.000 0.326 594 I C 0.571 176.791 176.117 0.172 0.000 1.283 594 I CA -0.563 60.877 61.300 0.233 0.000 1.161 594 I CB -0.742 37.366 38.000 0.180 0.000 1.012 594 I HN 0.298 nan 8.210 nan 0.000 0.421 595 N N 1.713 120.571 118.700 0.262 0.000 2.365 595 N HA -0.125 4.614 4.740 -0.002 0.000 0.265 595 N C 0.693 176.249 175.510 0.077 0.000 1.288 595 N CA 0.597 53.799 53.050 0.253 0.000 0.869 595 N CB 0.074 38.686 38.487 0.209 0.000 1.071 595 N HN 0.143 nan 8.380 nan 0.000 0.480 596 R N 0.503 121.023 120.500 0.034 0.000 4.000 596 R HA -0.219 4.120 4.340 -0.002 0.000 0.348 596 R C -0.387 175.807 176.300 -0.178 0.000 1.204 596 R CA 1.015 57.086 56.100 -0.048 0.000 0.987 596 R CB -0.838 29.451 30.300 -0.018 0.000 1.446 596 R HN 0.589 nan 8.270 nan 0.000 0.555 597 R N 0.525 120.901 120.500 -0.206 0.000 2.772 597 R HA 0.254 4.593 4.340 -0.002 0.000 0.358 597 R C -0.191 176.026 176.300 -0.138 0.000 1.143 597 R CA -0.297 55.526 56.100 -0.463 0.000 1.153 597 R CB 0.363 30.384 30.300 -0.466 0.000 1.329 597 R HN 0.120 nan 8.270 nan 0.000 0.615 598 L N -0.006 121.228 121.223 0.018 0.000 2.499 598 L HA 0.082 4.421 4.340 -0.002 0.000 0.281 598 L C 1.339 178.439 176.870 0.382 0.000 1.234 598 L CA 1.015 55.920 54.840 0.107 0.000 0.839 598 L CB 0.277 42.189 42.059 -0.245 0.000 1.104 598 L HN 0.674 nan 8.230 nan 0.000 0.500 599 G N 0.885 109.942 108.800 0.429 0.000 2.221 599 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.265 599 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.265 599 G C 0.406 175.419 174.900 0.188 0.000 1.041 599 G CA 0.611 45.946 45.100 0.391 0.000 0.807 599 G HN 0.937 nan 8.290 nan 0.000 0.502 600 T N -4.391 110.223 114.554 0.100 0.000 3.212 600 T HA 0.446 4.795 4.350 -0.002 0.000 0.157 600 T C 1.575 176.278 174.700 0.005 0.000 0.908 600 T CA 0.877 62.937 62.100 -0.066 0.000 0.954 600 T CB 0.064 68.711 68.868 -0.368 0.000 1.709 600 T HN 0.180 nan 8.240 nan 0.000 0.335 601 F N 3.511 123.505 119.950 0.073 0.000 2.216 601 F HA 0.105 4.631 4.527 -0.002 0.000 0.300 601 F C 2.772 178.613 175.800 0.068 0.000 1.085 601 F CA 1.180 59.213 58.000 0.055 0.000 1.326 601 F CB -0.552 38.478 39.000 0.049 0.000 1.027 601 F HN 0.579 nan 8.300 nan 0.000 0.497 602 E N 0.438 120.798 120.200 0.268 0.000 2.107 602 E HA -0.107 4.242 4.350 -0.002 0.000 0.191 602 E C 2.143 178.852 176.600 0.182 0.000 0.982 602 E CA 1.403 57.937 56.400 0.223 0.000 0.809 602 E CB -1.007 28.833 29.700 0.234 0.000 0.756 602 E HN 0.277 nan 8.360 nan 0.000 0.459 603 V N 2.088 122.087 119.914 0.142 0.000 2.270 603 V HA -0.232 3.887 4.120 -0.002 0.000 0.245 603 V C 2.461 178.592 176.094 0.061 0.000 1.043 603 V CA 2.116 64.454 62.300 0.063 0.000 1.014 603 V CB -0.687 31.136 31.823 -0.000 0.000 0.645 603 V HN 0.222 nan 8.190 nan 0.000 0.447 604 E N 0.204 120.456 120.200 0.087 0.000 2.068 604 E HA -0.323 4.026 4.350 -0.002 0.000 0.207 604 E C 1.973 178.606 176.600 0.055 0.000 1.032 604 E CA 1.965 58.415 56.400 0.084 0.000 0.839 604 E CB -0.299 29.496 29.700 0.159 0.000 0.758 604 E HN 0.599 nan 8.360 nan 0.000 0.457 605 D N -0.045 120.407 120.400 0.087 0.000 2.178 605 D HA -0.122 4.517 4.640 -0.002 0.000 0.202 605 D C 2.062 178.371 176.300 0.015 0.000 0.974 605 D CA 0.706 54.739 54.000 0.054 0.000 0.841 605 D CB -0.164 40.714 40.800 0.130 0.000 0.953 605 D HN 0.141 nan 8.370 nan 0.000 0.478 606 Q N 0.267 120.126 119.800 0.099 0.000 2.084 606 Q HA -0.070 4.269 4.340 -0.002 0.000 0.202 606 Q C 2.580 178.586 176.000 0.009 0.000 0.978 606 Q CA 0.560 56.414 55.803 0.086 0.000 0.844 606 Q CB -0.195 28.614 28.738 0.119 0.000 0.898 606 Q HN 0.424 nan 8.270 nan 0.000 0.426 607 I N 0.787 121.382 120.570 0.043 0.000 2.142 607 I HA -0.277 3.892 4.170 -0.002 0.000 0.240 607 I C 2.438 178.499 176.117 -0.095 0.000 1.078 607 I CA 1.321 62.681 61.300 0.100 0.000 1.343 607 I CB -0.232 37.821 38.000 0.090 0.000 1.046 607 I HN 0.160 nan 8.210 nan 0.000 0.405 608 E N 1.510 121.611 120.200 -0.165 0.000 2.110 608 E HA -0.206 4.143 4.350 -0.002 0.000 0.193 608 E C 2.049 178.362 176.600 -0.478 0.000 0.988 608 E CA 1.629 57.876 56.400 -0.255 0.000 0.804 608 E CB -0.218 29.362 29.700 -0.201 0.000 0.745 608 E HN 0.420 nan 8.360 nan 0.000 0.458 609 A N 0.655 123.046 122.820 -0.715 0.000 1.940 609 A HA -0.089 4.229 4.320 -0.002 0.000 0.219 609 A C 2.419 179.192 177.584 -1.353 0.000 1.176 609 A CA 2.194 53.482 52.037 -1.247 0.000 0.631 609 A CB -0.912 17.199 19.000 -1.481 0.000 0.814 609 A HN 0.392 nan 8.150 nan 0.000 0.446 610 A N -0.503 121.876 122.820 -0.735 0.000 1.968 610 A HA -0.054 4.265 4.320 -0.002 0.000 0.217 610 A C 2.200 179.515 177.584 -0.449 0.000 1.169 610 A CA 1.124 52.834 52.037 -0.546 0.000 0.638 610 A CB -0.377 18.426 19.000 -0.329 0.000 0.812 610 A HN 0.536 nan 8.150 nan 0.000 0.446 611 R N -0.520 119.750 120.500 -0.384 0.000 2.096 611 R HA -0.116 4.223 4.340 -0.002 0.000 0.235 611 R C 2.254 178.394 176.300 -0.267 0.000 1.127 611 R CA 1.350 57.286 56.100 -0.273 0.000 0.968 611 R CB -0.252 29.923 30.300 -0.208 0.000 0.861 611 R HN 0.537 nan 8.270 nan 0.000 0.440 612 Q N -0.222 119.350 119.800 -0.381 0.000 2.119 612 Q HA -0.115 4.224 4.340 -0.002 0.000 0.201 612 Q C 1.981 177.901 176.000 -0.133 0.000 0.972 612 Q CA 1.305 56.938 55.803 -0.283 0.000 0.847 612 Q CB -0.091 28.426 28.738 -0.368 0.000 0.903 612 Q HN 0.292 nan 8.270 nan 0.000 0.433 613 F N 0.908 120.696 119.950 -0.270 0.000 2.163 613 F HA -0.045 4.480 4.527 -0.002 0.000 0.297 613 F C 2.562 178.173 175.800 -0.315 0.000 1.094 613 F CA 0.528 58.341 58.000 -0.311 0.000 1.290 613 F CB -1.108 37.722 39.000 -0.283 0.000 1.017 613 F HN -0.061 nan 8.300 nan 0.000 0.483 614 S N 0.262 115.912 115.700 -0.083 0.000 2.383 614 S HA -0.210 4.259 4.470 -0.002 0.000 0.229 614 S C 1.967 176.486 174.600 -0.134 0.000 1.030 614 S CA 1.261 59.383 58.200 -0.130 0.000 1.002 614 S CB -0.327 62.791 63.200 -0.138 0.000 0.829 614 S HN 0.375 nan 8.310 nan 0.000 0.467 615 K N 0.767 121.098 120.400 -0.116 0.000 2.009 615 K HA -0.050 4.269 4.320 -0.002 0.000 0.210 615 K C 0.663 177.205 176.600 -0.097 0.000 1.049 615 K CA 0.805 57.037 56.287 -0.091 0.000 0.929 615 K CB -0.384 32.073 32.500 -0.073 0.000 0.714 615 K HN 0.375 nan 8.250 nan 0.000 0.440 616 M N 0.455 119.975 119.600 -0.133 0.000 2.235 616 M HA -0.076 4.403 4.480 -0.002 0.000 0.336 616 M C 1.243 177.376 176.300 -0.278 0.000 1.146 616 M CA 0.438 55.617 55.300 -0.202 0.000 1.018 616 M CB 0.386 32.761 32.600 -0.375 0.000 1.694 616 M HN 0.252 nan 8.290 nan 0.000 0.451 617 G N 2.113 110.845 108.800 -0.114 0.000 3.233 617 G HA2 0.199 4.157 3.960 -0.002 0.000 0.227 617 G HA3 0.199 4.157 3.960 -0.002 0.000 0.227 617 G C 0.357 175.287 174.900 0.050 0.000 1.175 617 G CA -0.253 44.833 45.100 -0.023 0.000 0.781 617 G HN 0.810 nan 8.290 nan 0.000 0.542 618 F N -1.192 118.810 119.950 0.086 0.000 2.735 618 F HA 0.654 5.180 4.527 -0.002 0.000 0.304 618 F C -0.481 175.432 175.800 0.189 0.000 1.119 618 F CA -1.311 56.774 58.000 0.143 0.000 1.280 618 F CB 0.173 39.296 39.000 0.205 0.000 0.994 618 F HN -0.185 nan 8.300 nan 0.000 0.520 619 V N 1.240 121.115 119.914 -0.066 0.000 2.495 619 V HA 0.204 4.323 4.120 -0.002 0.000 0.298 619 V C -0.604 175.460 176.094 -0.049 0.000 1.031 619 V CA -0.766 61.517 62.300 -0.029 0.000 0.871 619 V CB 1.695 33.437 31.823 -0.135 0.000 0.988 619 V HN 0.093 nan 8.190 nan 0.000 0.432 620 D N 4.287 124.656 120.400 -0.052 0.000 2.398 620 D HA 0.006 4.645 4.640 -0.002 0.000 0.250 620 D C 1.334 177.568 176.300 -0.109 0.000 1.287 620 D CA -0.002 53.940 54.000 -0.096 0.000 0.992 620 D CB 0.366 41.080 40.800 -0.143 0.000 1.071 620 D HN 0.687 nan 8.370 nan 0.000 0.514 621 N N 2.487 121.129 118.700 -0.096 0.000 2.666 621 N HA -0.147 4.592 4.740 -0.002 0.000 0.194 621 N C 0.542 175.999 175.510 -0.089 0.000 1.220 621 N CA 0.316 53.304 53.050 -0.103 0.000 0.928 621 N CB 0.158 38.583 38.487 -0.103 0.000 0.997 621 N HN 0.396 nan 8.380 nan 0.000 0.447 622 K N 0.314 120.666 120.400 -0.080 0.000 2.352 622 K HA 0.169 4.488 4.320 -0.002 0.000 0.194 622 K C 0.555 177.133 176.600 -0.036 0.000 1.038 622 K CA 0.249 56.505 56.287 -0.052 0.000 1.023 622 K CB 0.504 32.977 32.500 -0.045 0.000 0.840 622 K HN 0.048 nan 8.250 nan 0.000 0.519 623 R N 1.511 121.947 120.500 -0.106 0.000 2.724 623 R HA 0.365 4.704 4.340 -0.002 0.000 0.284 623 R C -0.998 175.205 176.300 -0.160 0.000 1.481 623 R CA -0.117 55.877 56.100 -0.176 0.000 1.652 623 R CB 0.458 30.433 30.300 -0.541 0.000 1.175 623 R HN 0.034 nan 8.270 nan 0.000 0.613 624 I N 1.286 121.918 120.570 0.104 0.000 2.389 624 I HA 0.479 4.648 4.170 -0.002 0.000 0.288 624 I C 0.101 176.480 176.117 0.436 0.000 0.999 624 I CA -0.658 60.751 61.300 0.181 0.000 1.129 624 I CB 1.854 39.792 38.000 -0.103 0.000 1.288 624 I HN 0.336 nan 8.210 nan 0.000 0.444 625 A N 7.153 130.354 122.820 0.635 0.000 2.312 625 A HA 0.936 5.255 4.320 -0.002 0.000 0.310 625 A C -0.919 177.050 177.584 0.642 0.000 1.139 625 A CA -0.674 51.710 52.037 0.579 0.000 0.886 625 A CB 1.931 21.124 19.000 0.323 0.000 1.350 625 A HN 0.732 nan 8.150 nan 0.000 0.479 626 I N -0.159 120.700 120.570 0.481 0.000 2.775 626 I HA 0.630 4.799 4.170 -0.002 0.000 0.295 626 I C -2.020 174.344 176.117 0.411 0.000 1.287 626 I CA -0.584 60.921 61.300 0.341 0.000 1.029 626 I CB 1.655 39.571 38.000 -0.141 0.000 1.282 626 I HN 0.955 nan 8.210 nan 0.000 0.426 627 W N 7.137 128.562 121.300 0.209 0.000 3.118 627 W HA 0.858 5.517 4.660 -0.002 0.000 0.328 627 W C -1.569 175.095 176.519 0.241 0.000 1.239 627 W CA -0.946 56.534 57.345 0.224 0.000 1.176 627 W CB 1.270 30.918 29.460 0.313 0.000 1.433 627 W HN 0.845 nan 8.180 nan 0.000 0.562 628 G N 1.011 109.685 108.800 -0.210 0.000 2.579 628 G HA2 0.453 4.411 3.960 -0.002 0.000 0.292 628 G HA3 0.453 4.411 3.960 -0.002 0.000 0.292 628 G C -2.792 172.006 174.900 -0.170 0.000 1.484 628 G CA -0.678 44.164 45.100 -0.430 0.000 0.813 628 G HN 0.632 nan 8.290 nan 0.000 0.515 629 W N 1.240 122.374 121.300 -0.278 0.000 2.781 629 W HA 0.654 5.313 4.660 -0.002 0.000 0.345 629 W C 0.867 177.431 176.519 0.076 0.000 1.085 629 W CA 0.336 57.636 57.345 -0.076 0.000 1.198 629 W CB 1.938 31.361 29.460 -0.063 0.000 1.423 629 W HN 1.173 nan 8.180 nan 0.000 0.532 630 S N 1.693 117.725 115.700 0.553 0.000 4.112 630 S HA -0.434 4.035 4.470 -0.002 0.000 0.602 630 S C 1.140 175.891 174.600 0.251 0.000 1.939 630 S CA 1.958 60.468 58.200 0.518 0.000 4.230 630 S CB -1.835 61.821 63.200 0.760 0.000 0.245 630 S HN 0.758 nan 8.310 nan 0.000 0.530 631 Y N 2.419 122.761 120.300 0.071 0.000 2.256 631 Y HA 0.007 4.556 4.550 -0.002 0.000 0.288 631 Y C 2.311 178.130 175.900 -0.133 0.000 1.155 631 Y CA 2.401 60.413 58.100 -0.146 0.000 1.203 631 Y CB -1.021 37.170 38.460 -0.448 0.000 0.980 631 Y HN 0.500 nan 8.280 nan 0.000 0.530 632 G N -0.967 107.881 108.800 0.080 0.000 2.448 632 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.219 632 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.219 632 G C 1.895 176.820 174.900 0.041 0.000 1.127 632 G CA 0.714 45.865 45.100 0.086 0.000 0.766 632 G HN 0.577 nan 8.290 nan 0.000 0.552 633 G N -0.095 108.738 108.800 0.056 0.000 2.402 633 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.216 633 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.216 633 G C 1.593 176.497 174.900 0.007 0.000 1.162 633 G CA 1.026 46.139 45.100 0.022 0.000 0.777 633 G HN 0.447 nan 8.290 nan 0.000 0.539 634 Y N 1.221 121.410 120.300 -0.184 0.000 2.181 634 Y HA -0.102 4.446 4.550 -0.002 0.000 0.288 634 Y C 2.681 178.464 175.900 -0.195 0.000 1.146 634 Y CA 1.676 59.612 58.100 -0.274 0.000 1.164 634 Y CB -0.289 37.850 38.460 -0.535 0.000 0.982 634 Y HN 0.025 nan 8.280 nan 0.000 0.515 635 V N -0.313 119.464 119.914 -0.228 0.000 2.427 635 V HA -0.271 3.848 4.120 -0.002 0.000 0.248 635 V C 2.283 178.252 176.094 -0.208 0.000 1.051 635 V CA 2.322 64.485 62.300 -0.228 0.000 1.048 635 V CB -1.006 30.839 31.823 0.037 0.000 0.666 635 V HN 0.488 nan 8.190 nan 0.000 0.456 636 T N -0.161 114.321 114.554 -0.120 0.000 2.759 636 T HA -0.185 4.164 4.350 -0.002 0.000 0.269 636 T C 2.141 176.764 174.700 -0.128 0.000 1.042 636 T CA 1.955 63.994 62.100 -0.102 0.000 1.140 636 T CB -0.194 68.689 68.868 0.026 0.000 0.864 636 T HN 0.513 nan 8.240 nan 0.000 0.455 637 S N 1.117 116.757 115.700 -0.099 0.000 2.345 637 S HA 0.006 4.475 4.470 -0.002 0.000 0.220 637 S C 2.186 176.678 174.600 -0.180 0.000 1.031 637 S CA 0.890 59.061 58.200 -0.049 0.000 0.996 637 S CB -0.291 62.911 63.200 0.003 0.000 0.882 637 S HN 0.326 nan 8.310 nan 0.000 0.445 638 M N 1.134 120.537 119.600 -0.329 0.000 2.106 638 M HA -0.093 4.386 4.480 -0.002 0.000 0.259 638 M C 2.230 178.361 176.300 -0.282 0.000 1.068 638 M CA 1.194 56.296 55.300 -0.331 0.000 1.100 638 M CB -1.472 30.845 32.600 -0.473 0.000 1.351 638 M HN 0.177 nan 8.290 nan 0.000 0.404 639 V N 0.663 120.399 119.914 -0.296 0.000 2.261 639 V HA -0.253 3.866 4.120 -0.002 0.000 0.246 639 V C 2.532 178.405 176.094 -0.367 0.000 1.047 639 V CA 1.503 63.617 62.300 -0.311 0.000 1.015 639 V CB -0.618 30.945 31.823 -0.433 0.000 0.642 639 V HN 0.424 nan 8.190 nan 0.000 0.446 640 L N 0.338 121.283 121.223 -0.465 0.000 2.261 640 L HA -0.102 4.237 4.340 -0.002 0.000 0.216 640 L C 2.120 178.434 176.870 -0.926 0.000 1.114 640 L CA 1.436 55.895 54.840 -0.634 0.000 0.777 640 L CB -0.669 40.956 42.059 -0.722 0.000 0.910 640 L HN 0.504 nan 8.230 nan 0.000 0.440 641 G N -1.692 106.649 108.800 -0.766 0.000 3.233 641 G HA2 -0.019 3.940 3.960 -0.002 0.000 0.234 641 G HA3 -0.019 3.940 3.960 -0.002 0.000 0.234 641 G C 1.367 176.108 174.900 -0.265 0.000 1.137 641 G CA 0.551 45.299 45.100 -0.586 0.000 0.763 641 G HN 0.424 nan 8.290 nan 0.000 0.549 642 S N -1.018 114.545 115.700 -0.227 0.000 2.524 642 S HA 0.332 4.801 4.470 -0.002 0.000 0.216 642 S C 1.935 176.485 174.600 -0.082 0.000 0.987 642 S CA 0.966 59.094 58.200 -0.120 0.000 0.909 642 S CB 0.082 63.228 63.200 -0.090 0.000 0.781 642 S HN 1.288 nan 8.310 nan 0.000 0.521 643 G N 1.755 110.495 108.800 -0.100 0.000 2.155 643 G HA2 -0.377 3.582 3.960 -0.002 0.000 0.257 643 G HA3 -0.377 3.582 3.960 -0.002 0.000 0.257 643 G C 1.085 175.967 174.900 -0.029 0.000 0.983 643 G CA 1.030 46.094 45.100 -0.060 0.000 0.676 643 G HN 1.274 nan 8.290 nan 0.000 0.528 644 S N -0.387 115.304 115.700 -0.014 0.000 2.400 644 S HA 0.217 4.686 4.470 -0.002 0.000 0.232 644 S C 2.668 177.269 174.600 0.002 0.000 1.025 644 S CA 1.942 60.147 58.200 0.009 0.000 0.993 644 S CB -0.450 62.785 63.200 0.058 0.000 0.808 644 S HN 2.487 nan 8.310 nan 0.000 0.478 645 G N -0.403 108.404 108.800 0.011 0.000 2.179 645 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.260 645 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.260 645 G C 0.753 175.634 174.900 -0.031 0.000 0.977 645 G CA 0.406 45.504 45.100 -0.004 0.000 0.641 645 G HN 0.727 nan 8.290 nan 0.000 0.533 646 V N -0.341 119.543 119.914 -0.050 0.000 2.488 646 V HA 0.269 4.388 4.120 -0.002 0.000 0.246 646 V C 1.257 177.137 176.094 -0.358 0.000 1.046 646 V CA 1.436 63.576 62.300 -0.266 0.000 1.053 646 V CB -0.341 31.195 31.823 -0.478 0.000 0.679 646 V HN 0.292 nan 8.190 nan 0.000 0.458 647 F N 0.390 120.343 119.950 0.005 0.000 2.408 647 F HA 0.360 4.886 4.527 -0.002 0.000 0.344 647 F C 1.132 176.969 175.800 0.061 0.000 1.112 647 F CA -0.485 57.545 58.000 0.050 0.000 1.096 647 F CB 1.241 40.269 39.000 0.047 0.000 1.129 647 F HN -0.165 nan 8.300 nan 0.000 0.486 648 K N 2.055 122.608 120.400 0.255 0.000 2.186 648 K HA 0.137 4.456 4.320 -0.002 0.000 0.202 648 K C -0.176 176.561 176.600 0.229 0.000 1.052 648 K CA 0.843 57.250 56.287 0.201 0.000 0.965 648 K CB 0.254 32.870 32.500 0.194 0.000 0.746 648 K HN 0.781 nan 8.250 nan 0.000 0.457 649 c N -2.618 116.164 118.600 0.303 0.000 3.253 649 c HA 0.839 5.408 4.570 -0.002 0.000 0.342 649 c C -0.426 173.912 174.090 0.415 0.000 1.306 649 c CA -0.519 56.020 56.329 0.350 0.000 1.207 649 c CB 1.050 43.727 42.510 0.278 0.000 1.479 649 c HN 0.353 nan 8.230 nan 0.000 0.469 650 G N 0.417 109.512 108.800 0.492 0.000 2.698 650 G HA2 0.747 4.706 3.960 -0.002 0.000 0.293 650 G HA3 0.747 4.706 3.960 -0.002 0.000 0.293 650 G C -1.874 173.207 174.900 0.301 0.000 1.437 650 G CA -0.770 44.575 45.100 0.408 0.000 0.852 650 G HN 1.091 nan 8.290 nan 0.000 0.499 651 I N 0.674 121.399 120.570 0.258 0.000 2.436 651 I HA 0.634 4.803 4.170 -0.002 0.000 0.289 651 I C 0.193 176.420 176.117 0.183 0.000 1.010 651 I CA -0.986 60.354 61.300 0.067 0.000 1.098 651 I CB 2.202 40.240 38.000 0.063 0.000 1.266 651 I HN 0.629 nan 8.210 nan 0.000 0.434 652 A N 6.337 129.164 122.820 0.011 0.000 2.318 652 A HA 0.805 5.123 4.320 -0.002 0.000 0.317 652 A C -0.749 176.756 177.584 -0.131 0.000 1.159 652 A CA -0.527 51.524 52.037 0.024 0.000 0.799 652 A CB 1.266 20.335 19.000 0.115 0.000 1.194 652 A HN 0.454 nan 8.150 nan 0.000 0.479 653 V N 1.891 121.679 119.914 -0.211 0.000 2.448 653 V HA 0.586 4.705 4.120 -0.002 0.000 0.295 653 V C 0.952 176.650 176.094 -0.659 0.000 1.025 653 V CA 0.239 62.203 62.300 -0.560 0.000 0.859 653 V CB 0.837 32.046 31.823 -1.023 0.000 0.988 653 V HN 2.143 nan 8.190 nan 0.000 0.431 654 A N 5.233 127.651 122.820 -0.669 0.000 2.596 654 A HA -0.109 4.209 4.320 -0.002 0.000 0.300 654 A C -1.634 175.819 177.584 -0.219 0.000 1.495 654 A CA 0.567 52.134 52.037 -0.783 0.000 0.769 654 A CB -1.646 16.977 19.000 -0.629 0.000 1.047 654 A HN 0.634 nan 8.150 nan 0.000 0.436 655 P HA 0.413 nan 4.420 nan 0.000 0.277 655 P C 0.306 177.584 177.300 -0.035 0.000 1.240 655 P CA -0.170 62.915 63.100 -0.025 0.000 0.798 655 P CB 1.211 32.910 31.700 -0.002 0.000 0.979 656 V N 2.036 121.838 119.914 -0.187 0.000 2.881 656 V HA 0.083 4.202 4.120 -0.002 0.000 0.303 656 V C 1.741 177.690 176.094 -0.241 0.000 1.070 656 V CA 1.028 63.088 62.300 -0.400 0.000 1.074 656 V CB 0.837 32.016 31.823 -1.074 0.000 1.012 656 V HN 0.858 nan 8.190 nan 0.000 0.482 657 S N 3.076 118.635 115.700 -0.235 0.000 2.670 657 S HA 0.255 4.724 4.470 -0.002 0.000 0.241 657 S C 0.430 174.885 174.600 -0.241 0.000 1.077 657 S CA -0.368 57.760 58.200 -0.120 0.000 0.899 657 S CB 0.347 63.525 63.200 -0.037 0.000 0.835 657 S HN 0.840 nan 8.310 nan 0.000 0.481 658 R N -1.070 119.165 120.500 -0.442 0.000 2.566 658 R HA 0.390 4.729 4.340 -0.002 0.000 0.271 658 R C -1.002 174.973 176.300 -0.542 0.000 1.071 658 R CA -0.879 54.893 56.100 -0.547 0.000 0.915 658 R CB -0.023 29.946 30.300 -0.552 0.000 1.228 658 R HN 0.184 nan 8.270 nan 0.000 0.449 659 W N 1.443 122.648 121.300 -0.158 0.000 2.465 659 W HA -0.006 4.653 4.660 -0.002 0.000 0.268 659 W C 1.175 177.826 176.519 0.221 0.000 1.242 659 W CA 0.643 57.983 57.345 -0.007 0.000 1.248 659 W CB 0.215 29.571 29.460 -0.173 0.000 1.118 659 W HN 0.734 nan 8.180 nan 0.000 0.587 660 E N -0.944 119.440 120.200 0.306 0.000 2.333 660 E HA -0.192 4.156 4.350 -0.002 0.000 0.198 660 E C 1.356 178.128 176.600 0.288 0.000 1.007 660 E CA 0.989 57.520 56.400 0.217 0.000 0.845 660 E CB -0.382 29.337 29.700 0.031 0.000 0.766 660 E HN 0.345 nan 8.360 nan 0.000 0.507 661 Y N -1.541 118.853 120.300 0.157 0.000 2.490 661 Y HA 0.091 4.640 4.550 -0.002 0.000 0.285 661 Y C 0.749 176.730 175.900 0.136 0.000 1.117 661 Y CA -0.345 57.809 58.100 0.090 0.000 1.262 661 Y CB -0.413 38.045 38.460 -0.003 0.000 1.043 661 Y HN 0.029 nan 8.280 nan 0.000 0.553 662 Y N 1.640 122.084 120.300 0.239 0.000 2.408 662 Y HA 0.289 4.838 4.550 -0.002 0.000 0.324 662 Y C 0.360 176.456 175.900 0.327 0.000 1.302 662 Y CA -1.918 56.318 58.100 0.228 0.000 1.384 662 Y CB 0.333 38.943 38.460 0.249 0.000 1.367 662 Y HN 0.177 nan 8.280 nan 0.000 0.525 663 D N -0.820 119.326 120.400 -0.424 0.000 2.358 663 D HA 0.142 4.781 4.640 -0.002 0.000 0.244 663 D C 0.788 177.076 176.300 -0.020 0.000 1.163 663 D CA 0.271 54.083 54.000 -0.313 0.000 0.945 663 D CB 1.050 41.452 40.800 -0.664 0.000 1.152 663 D HN 0.465 nan 8.370 nan 0.000 0.451 664 S N 0.691 116.372 115.700 -0.032 0.000 2.357 664 S HA -0.165 4.303 4.470 -0.002 0.000 0.221 664 S C 1.932 176.555 174.600 0.038 0.000 1.031 664 S CA 0.981 59.218 58.200 0.061 0.000 0.982 664 S CB -0.923 62.318 63.200 0.069 0.000 0.853 664 S HN 0.425 nan 8.310 nan 0.000 0.458 665 V N 0.826 120.694 119.914 -0.077 0.000 2.295 665 V HA -0.159 3.960 4.120 -0.002 0.000 0.246 665 V C 2.304 178.307 176.094 -0.152 0.000 1.049 665 V CA 2.137 64.293 62.300 -0.239 0.000 1.024 665 V CB -1.139 30.393 31.823 -0.485 0.000 0.648 665 V HN 0.552 nan 8.190 nan 0.000 0.447 666 Y N 1.555 121.797 120.300 -0.096 0.000 2.109 666 Y HA -0.241 4.308 4.550 -0.002 0.000 0.285 666 Y C 2.784 178.703 175.900 0.032 0.000 1.131 666 Y CA 2.426 60.554 58.100 0.046 0.000 1.121 666 Y CB -0.681 37.994 38.460 0.359 0.000 0.987 666 Y HN 0.212 nan 8.280 nan 0.000 0.495 667 T N 0.240 115.056 114.554 0.438 0.000 2.652 667 T HA -0.216 4.133 4.350 -0.002 0.000 0.267 667 T C 1.611 176.326 174.700 0.026 0.000 1.039 667 T CA 1.970 64.256 62.100 0.309 0.000 1.153 667 T CB -0.374 68.792 68.868 0.498 0.000 0.863 667 T HN 0.409 nan 8.240 nan 0.000 0.428 668 E N 0.492 120.724 120.200 0.053 0.000 2.204 668 E HA -0.105 4.244 4.350 -0.002 0.000 0.195 668 E C 2.316 178.824 176.600 -0.154 0.000 0.990 668 E CA 0.518 56.932 56.400 0.024 0.000 0.821 668 E CB -0.129 29.621 29.700 0.084 0.000 0.750 668 E HN 0.328 nan 8.360 nan 0.000 0.477 669 R N 0.049 120.319 120.500 -0.384 0.000 2.119 669 R HA -0.233 4.106 4.340 -0.002 0.000 0.246 669 R C 1.287 177.070 176.300 -0.861 0.000 1.146 669 R CA 1.856 57.514 56.100 -0.737 0.000 0.962 669 R CB -0.118 29.419 30.300 -1.273 0.000 0.863 669 R HN 0.255 nan 8.270 nan 0.000 0.442 670 Y N -2.277 117.713 120.300 -0.517 0.000 2.507 670 Y HA 0.241 4.789 4.550 -0.002 0.000 0.263 670 Y C 1.600 177.315 175.900 -0.309 0.000 1.093 670 Y CA 0.032 57.805 58.100 -0.544 0.000 1.285 670 Y CB 0.519 38.548 38.460 -0.718 0.000 1.115 670 Y HN -0.016 nan 8.280 nan 0.000 0.533 671 M N -0.376 119.138 119.600 -0.143 0.000 2.306 671 M HA 0.366 4.845 4.480 -0.002 0.000 0.292 671 M C 0.994 177.344 176.300 0.083 0.000 1.018 671 M CA 0.641 55.865 55.300 -0.127 0.000 1.007 671 M CB -0.134 32.194 32.600 -0.454 0.000 1.510 671 M HN 0.324 nan 8.290 nan 0.000 0.537 672 G N 2.044 110.891 108.800 0.078 0.000 2.641 672 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.254 672 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.254 672 G C -0.416 174.613 174.900 0.215 0.000 1.315 672 G CA -0.675 44.499 45.100 0.124 0.000 0.907 672 G HN 0.364 nan 8.290 nan 0.000 0.572 673 L N 1.716 123.025 121.223 0.143 0.000 2.379 673 L HA 0.426 4.765 4.340 -0.002 0.000 0.269 673 L C -1.397 175.458 176.870 -0.025 0.000 1.084 673 L CA -1.728 53.150 54.840 0.062 0.000 0.802 673 L CB 1.827 43.894 42.059 0.013 0.000 1.175 673 L HN 0.443 nan 8.230 nan 0.000 0.448 674 P HA 0.079 nan 4.420 nan 0.000 0.214 674 P C -0.405 176.756 177.300 -0.231 0.000 1.807 674 P CA -0.171 62.559 63.100 -0.617 0.000 0.921 674 P CB -0.409 30.543 31.700 -1.246 0.000 1.835 675 T N -3.437 111.061 114.554 -0.093 0.000 2.945 675 T HA 0.448 4.797 4.350 -0.002 0.000 0.286 675 T C -2.052 172.645 174.700 -0.005 0.000 1.025 675 T CA -2.447 59.626 62.100 -0.045 0.000 1.039 675 T CB 1.507 70.359 68.868 -0.028 0.000 1.068 675 T HN -0.276 nan 8.240 nan 0.000 0.497 676 P HA -0.086 nan 4.420 nan 0.000 0.216 676 P C 0.851 178.163 177.300 0.021 0.000 1.150 676 P CA 1.131 64.240 63.100 0.014 0.000 0.837 676 P CB -0.016 31.689 31.700 0.008 0.000 0.786 677 E N -1.473 118.736 120.200 0.014 0.000 2.427 677 E HA -0.050 4.299 4.350 -0.002 0.000 0.196 677 E C 1.242 177.856 176.600 0.024 0.000 1.028 677 E CA 0.576 56.986 56.400 0.016 0.000 0.864 677 E CB -0.380 29.325 29.700 0.008 0.000 0.813 677 E HN 0.317 nan 8.360 nan 0.000 0.514 678 D N -0.155 120.265 120.400 0.033 0.000 3.180 678 D HA 0.074 4.713 4.640 -0.002 0.000 0.226 678 D C 0.212 176.563 176.300 0.084 0.000 1.252 678 D CA -0.048 53.983 54.000 0.052 0.000 1.287 678 D CB 0.004 40.836 40.800 0.053 0.000 0.919 678 D HN -0.056 nan 8.370 nan 0.000 0.186 679 N N 0.042 118.822 118.700 0.134 0.000 2.282 679 N HA 0.089 4.828 4.740 -0.002 0.000 0.240 679 N C 1.092 176.790 175.510 0.313 0.000 1.182 679 N CA -0.100 53.080 53.050 0.216 0.000 0.874 679 N CB 0.153 38.795 38.487 0.259 0.000 1.126 679 N HN 0.110 nan 8.380 nan 0.000 0.516 680 L N 0.390 121.718 121.223 0.175 0.000 2.079 680 L HA -0.110 4.229 4.340 -0.002 0.000 0.210 680 L C 1.287 178.263 176.870 0.176 0.000 1.081 680 L CA 1.858 56.779 54.840 0.135 0.000 0.752 680 L CB -0.446 41.625 42.059 0.019 0.000 0.896 680 L HN 0.144 nan 8.230 nan 0.000 0.433 681 D N -1.002 119.485 120.400 0.145 0.000 2.127 681 D HA -0.301 4.338 4.640 -0.002 0.000 0.190 681 D C 2.062 178.460 176.300 0.163 0.000 1.000 681 D CA 2.108 56.186 54.000 0.129 0.000 0.839 681 D CB -0.292 40.575 40.800 0.111 0.000 0.955 681 D HN 0.579 nan 8.370 nan 0.000 0.446 682 H N -0.894 118.239 119.070 0.106 0.000 2.462 682 H HA -0.058 4.496 4.556 -0.002 0.000 0.292 682 H C 1.693 177.075 175.328 0.089 0.000 1.049 682 H CA 0.962 57.048 56.048 0.065 0.000 1.334 682 H CB -0.330 29.433 29.762 0.002 0.000 1.404 682 H HN 0.152 nan 8.280 nan 0.000 0.544 683 Y N 0.452 120.752 120.300 -0.001 0.000 2.241 683 Y HA -0.210 4.339 4.550 -0.002 0.000 0.286 683 Y C 2.045 177.907 175.900 -0.063 0.000 1.166 683 Y CA 1.809 59.906 58.100 -0.006 0.000 1.203 683 Y CB 0.141 38.625 38.460 0.041 0.000 0.977 683 Y HN 0.250 nan 8.280 nan 0.000 0.529 684 R N -1.673 118.871 120.500 0.074 0.000 2.335 684 R HA 0.057 4.396 4.340 -0.002 0.000 0.210 684 R C 1.167 177.450 176.300 -0.028 0.000 0.892 684 R CA 0.445 56.556 56.100 0.018 0.000 1.048 684 R CB -0.082 30.241 30.300 0.038 0.000 1.067 684 R HN 0.116 nan 8.270 nan 0.000 0.524 685 N N 1.246 119.910 118.700 -0.062 0.000 2.461 685 N HA -0.055 4.684 4.740 -0.002 0.000 0.188 685 N C 0.395 175.841 175.510 -0.107 0.000 1.134 685 N CA 0.430 53.453 53.050 -0.043 0.000 0.878 685 N CB 0.380 38.897 38.487 0.050 0.000 0.972 685 N HN 0.119 nan 8.380 nan 0.000 0.456 686 S N -1.957 113.630 115.700 -0.187 0.000 2.843 686 S HA 0.151 4.619 4.470 -0.002 0.000 0.249 686 S C 0.124 174.738 174.600 0.024 0.000 1.047 686 S CA -0.611 57.510 58.200 -0.132 0.000 1.042 686 S CB -0.704 62.268 63.200 -0.380 0.000 0.936 686 S HN 0.165 nan 8.310 nan 0.000 0.531 687 T N -1.151 113.387 114.554 -0.025 0.000 2.928 687 T HA 0.582 4.931 4.350 -0.002 0.000 0.284 687 T C 1.378 176.051 174.700 -0.046 0.000 1.008 687 T CA -0.565 61.512 62.100 -0.039 0.000 1.057 687 T CB 1.415 70.234 68.868 -0.082 0.000 1.018 687 T HN -0.035 nan 8.240 nan 0.000 0.493 688 V N 1.895 121.771 119.914 -0.063 0.000 2.358 688 V HA -0.163 3.956 4.120 -0.002 0.000 0.246 688 V C 2.674 178.712 176.094 -0.094 0.000 1.047 688 V CA 1.775 64.018 62.300 -0.095 0.000 1.035 688 V CB -1.059 30.692 31.823 -0.119 0.000 0.658 688 V HN 0.826 nan 8.190 nan 0.000 0.452 689 M N 1.530 121.067 119.600 -0.106 0.000 2.103 689 M HA -0.222 4.256 4.480 -0.002 0.000 0.255 689 M C 2.297 178.555 176.300 -0.071 0.000 1.074 689 M CA 2.436 57.672 55.300 -0.106 0.000 1.090 689 M CB -1.127 31.426 32.600 -0.078 0.000 1.325 689 M HN 0.552 nan 8.290 nan 0.000 0.403 690 S N -0.715 114.956 115.700 -0.048 0.000 2.584 690 S HA -0.067 4.402 4.470 -0.002 0.000 0.240 690 S C 1.661 176.255 174.600 -0.009 0.000 0.975 690 S CA 0.727 58.911 58.200 -0.027 0.000 0.949 690 S CB -0.516 62.670 63.200 -0.023 0.000 0.761 690 S HN 0.532 nan 8.310 nan 0.000 0.536 691 R N -0.079 120.423 120.500 0.004 0.000 2.397 691 R HA 0.444 4.783 4.340 -0.002 0.000 0.241 691 R C 2.188 178.577 176.300 0.148 0.000 0.914 691 R CA 0.438 56.574 56.100 0.059 0.000 1.071 691 R CB -0.139 30.201 30.300 0.066 0.000 1.116 691 R HN 0.447 nan 8.270 nan 0.000 0.524 692 A N 1.906 124.757 122.820 0.052 0.000 1.903 692 A HA -0.255 4.064 4.320 -0.002 0.000 0.219 692 A C 1.800 179.464 177.584 0.133 0.000 1.191 692 A CA 1.535 53.581 52.037 0.015 0.000 0.638 692 A CB -0.252 18.689 19.000 -0.098 0.000 0.823 692 A HN 0.224 nan 8.150 nan 0.000 0.451 693 E N 0.191 120.438 120.200 0.079 0.000 2.114 693 E HA -0.222 4.127 4.350 -0.002 0.000 0.199 693 E C 1.548 178.202 176.600 0.090 0.000 1.008 693 E CA 1.471 57.914 56.400 0.072 0.000 0.810 693 E CB -0.509 29.215 29.700 0.040 0.000 0.739 693 E HN 0.683 nan 8.360 nan 0.000 0.456 694 N N 0.037 118.787 118.700 0.082 0.000 2.512 694 N HA -0.085 4.654 4.740 -0.002 0.000 0.183 694 N C 1.430 176.914 175.510 -0.044 0.000 1.073 694 N CA 0.419 53.467 53.050 -0.003 0.000 0.911 694 N CB -0.235 38.206 38.487 -0.078 0.000 0.964 694 N HN 0.143 nan 8.380 nan 0.000 0.447 695 F N 1.904 121.804 119.950 -0.083 0.000 2.641 695 F HA -0.072 4.453 4.527 -0.002 0.000 0.298 695 F C 1.898 177.699 175.800 0.001 0.000 1.146 695 F CA 0.639 58.587 58.000 -0.087 0.000 1.464 695 F CB 0.062 38.962 39.000 -0.167 0.000 1.101 695 F HN 0.050 nan 8.300 nan 0.000 0.585 696 K N 0.217 120.709 120.400 0.153 0.000 2.283 696 K HA -0.165 4.154 4.320 -0.002 0.000 0.202 696 K C 1.185 177.840 176.600 0.091 0.000 1.048 696 K CA 1.248 57.610 56.287 0.125 0.000 0.948 696 K CB -0.956 31.601 32.500 0.095 0.000 0.742 696 K HN 0.318 nan 8.250 nan 0.000 0.458 697 Q N 0.841 120.671 119.800 0.051 0.000 2.403 697 Q HA 0.110 4.448 4.340 -0.002 0.000 0.203 697 Q C 0.250 176.279 176.000 0.048 0.000 0.932 697 Q CA 0.259 56.083 55.803 0.035 0.000 0.945 697 Q CB 0.309 29.049 28.738 0.003 0.000 1.045 697 Q HN 0.331 nan 8.270 nan 0.000 0.511 698 V N -2.887 117.067 119.914 0.066 0.000 3.102 698 V HA 0.471 4.590 4.120 -0.002 0.000 0.312 698 V C -1.311 174.908 176.094 0.210 0.000 1.135 698 V CA -1.248 61.114 62.300 0.104 0.000 1.022 698 V CB 2.422 34.251 31.823 0.011 0.000 1.056 698 V HN -0.006 nan 8.190 nan 0.000 0.436 699 E N 1.837 122.197 120.200 0.265 0.000 2.174 699 E HA 0.474 4.823 4.350 -0.002 0.000 0.282 699 E C -1.893 175.057 176.600 0.583 0.000 0.992 699 E CA -0.401 56.226 56.400 0.379 0.000 0.803 699 E CB 1.959 31.830 29.700 0.285 0.000 1.090 699 E HN 0.702 nan 8.360 nan 0.000 0.396 700 Y N 3.039 123.586 120.300 0.412 0.000 2.391 700 Y HA 0.435 4.984 4.550 -0.002 0.000 0.341 700 Y C -1.736 174.244 175.900 0.134 0.000 0.965 700 Y CA -1.433 56.848 58.100 0.303 0.000 1.067 700 Y CB 1.169 39.846 38.460 0.361 0.000 1.199 700 Y HN 0.436 nan 8.280 nan 0.000 0.450 701 L N 7.443 128.367 121.223 -0.497 0.000 2.333 701 L HA 0.676 5.015 4.340 -0.002 0.000 0.280 701 L C -2.171 174.248 176.870 -0.751 0.000 1.004 701 L CA -0.809 53.616 54.840 -0.691 0.000 0.820 701 L CB 1.453 42.794 42.059 -1.195 0.000 1.247 701 L HN 0.641 nan 8.230 nan 0.000 0.416 702 L N 6.537 127.443 121.223 -0.529 0.000 2.349 702 L HA 0.710 5.049 4.340 -0.002 0.000 0.278 702 L C -1.275 175.492 176.870 -0.173 0.000 0.996 702 L CA -0.062 54.512 54.840 -0.444 0.000 0.825 702 L CB 1.323 43.145 42.059 -0.395 0.000 1.243 702 L HN 0.589 nan 8.230 nan 0.000 0.412 703 I N 4.185 124.666 120.570 -0.149 0.000 2.647 703 I HA 0.488 4.657 4.170 -0.002 0.000 0.295 703 I C -1.235 174.887 176.117 0.008 0.000 1.078 703 I CA -0.770 60.501 61.300 -0.049 0.000 1.048 703 I CB 2.200 40.144 38.000 -0.093 0.000 1.239 703 I HN 0.691 nan 8.210 nan 0.000 0.421 704 H N 1.862 120.999 119.070 0.112 0.000 3.123 704 H HA 0.418 4.973 4.556 -0.002 0.000 0.346 704 H C -0.328 175.230 175.328 0.385 0.000 1.138 704 H CA -0.548 55.620 56.048 0.201 0.000 1.273 704 H CB 1.921 31.786 29.762 0.172 0.000 1.926 704 H HN 0.765 nan 8.280 nan 0.000 0.524 705 G N 1.213 110.327 108.800 0.522 0.000 2.403 705 G HA2 0.179 4.137 3.960 -0.002 0.000 0.259 705 G HA3 0.179 4.137 3.960 -0.002 0.000 0.259 705 G C 1.230 176.382 174.900 0.419 0.000 1.244 705 G CA 0.198 45.577 45.100 0.465 0.000 0.849 705 G HN 0.764 nan 8.290 nan 0.000 0.532 706 T N -0.296 114.373 114.554 0.191 0.000 2.833 706 T HA -0.020 4.329 4.350 -0.002 0.000 0.269 706 T C 1.887 176.546 174.700 -0.068 0.000 1.054 706 T CA 1.490 63.526 62.100 -0.106 0.000 1.135 706 T CB 0.030 68.821 68.868 -0.128 0.000 0.869 706 T HN 0.710 nan 8.240 nan 0.000 0.466 707 A N 1.035 123.889 122.820 0.056 0.000 2.532 707 A HA 0.287 4.606 4.320 -0.002 0.000 0.273 707 A C 0.558 178.036 177.584 -0.177 0.000 1.342 707 A CA -0.411 51.584 52.037 -0.070 0.000 0.929 707 A CB -0.436 18.776 19.000 0.353 0.000 1.051 707 A HN 0.417 nan 8.150 nan 0.000 0.521 708 D N 1.612 121.980 120.400 -0.053 0.000 2.342 708 D HA -0.017 4.622 4.640 -0.002 0.000 0.260 708 D C 0.420 176.700 176.300 -0.033 0.000 1.278 708 D CA 0.100 54.182 54.000 0.136 0.000 0.910 708 D CB 0.545 41.597 40.800 0.419 0.000 1.079 708 D HN 0.581 nan 8.370 nan 0.000 0.496 709 D N 2.091 122.514 120.400 0.038 0.000 2.349 709 D HA -0.121 4.518 4.640 -0.002 0.000 0.224 709 D C 0.794 177.115 176.300 0.035 0.000 1.029 709 D CA -0.106 53.887 54.000 -0.013 0.000 0.879 709 D CB 0.558 41.361 40.800 0.004 0.000 0.906 709 D HN 0.231 nan 8.370 nan 0.000 0.528 710 N N 0.614 119.415 118.700 0.168 0.000 2.765 710 N HA -0.033 4.705 4.740 -0.002 0.000 0.230 710 N C -0.198 175.325 175.510 0.022 0.000 1.022 710 N CA 0.310 53.488 53.050 0.213 0.000 1.106 710 N CB 0.761 39.393 38.487 0.242 0.000 1.527 710 N HN -0.118 nan 8.380 nan 0.000 0.507 711 V N 3.230 123.159 119.914 0.026 0.000 2.334 711 V HA 0.248 4.367 4.120 -0.002 0.000 0.267 711 V C -0.495 175.729 176.094 0.217 0.000 1.040 711 V CA -0.462 61.887 62.300 0.082 0.000 0.866 711 V CB -0.042 31.860 31.823 0.133 0.000 1.019 711 V HN 0.282 nan 8.190 nan 0.000 0.468 712 H N 3.610 122.692 119.070 0.020 0.000 2.815 712 H HA 0.030 4.585 4.556 -0.002 0.000 0.350 712 H C 0.748 175.938 175.328 -0.231 0.000 1.080 712 H CA -0.283 55.689 56.048 -0.127 0.000 1.433 712 H CB 0.878 30.481 29.762 -0.266 0.000 1.432 712 H HN 0.643 nan 8.280 nan 0.000 0.592 713 F N 2.056 121.810 119.950 -0.326 0.000 2.184 713 F HA -0.322 4.204 4.527 -0.002 0.000 0.301 713 F C 2.553 178.089 175.800 -0.440 0.000 1.076 713 F CA 1.785 59.406 58.000 -0.632 0.000 1.295 713 F CB -0.230 38.575 39.000 -0.326 0.000 1.026 713 F HN 0.668 nan 8.300 nan 0.000 0.494 714 Q N 0.129 119.790 119.800 -0.232 0.000 2.084 714 Q HA -0.362 3.977 4.340 -0.002 0.000 0.215 714 Q C 2.197 177.967 176.000 -0.384 0.000 1.020 714 Q CA 2.795 58.405 55.803 -0.321 0.000 0.887 714 Q CB -0.381 28.136 28.738 -0.369 0.000 0.975 714 Q HN 0.588 nan 8.270 nan 0.000 0.413 715 Q N -0.603 119.021 119.800 -0.293 0.000 2.096 715 Q HA -0.146 4.193 4.340 -0.002 0.000 0.204 715 Q C 2.229 178.129 176.000 -0.167 0.000 0.982 715 Q CA 1.762 57.511 55.803 -0.090 0.000 0.850 715 Q CB -0.141 28.612 28.738 0.025 0.000 0.901 715 Q HN 0.331 nan 8.270 nan 0.000 0.422 716 S N 0.813 116.296 115.700 -0.363 0.000 2.395 716 S HA 0.020 4.489 4.470 -0.002 0.000 0.225 716 S C 2.125 176.465 174.600 -0.433 0.000 1.027 716 S CA 0.672 58.659 58.200 -0.356 0.000 0.965 716 S CB -0.145 62.839 63.200 -0.360 0.000 0.812 716 S HN 0.490 nan 8.310 nan 0.000 0.482 717 A N 1.545 123.980 122.820 -0.641 0.000 1.986 717 A HA -0.179 4.140 4.320 -0.002 0.000 0.220 717 A C 2.116 179.583 177.584 -0.195 0.000 1.171 717 A CA 1.306 53.107 52.037 -0.394 0.000 0.640 717 A CB -0.443 18.377 19.000 -0.300 0.000 0.811 717 A HN 0.378 nan 8.150 nan 0.000 0.451 718 Q N -0.683 119.014 119.800 -0.171 0.000 2.187 718 Q HA 0.038 4.377 4.340 -0.002 0.000 0.199 718 Q C 2.144 178.082 176.000 -0.103 0.000 0.957 718 Q CA 0.869 56.626 55.803 -0.076 0.000 0.857 718 Q CB -0.252 28.511 28.738 0.042 0.000 0.929 718 Q HN 0.786 nan 8.270 nan 0.000 0.453 719 I N 1.228 121.709 120.570 -0.149 0.000 2.142 719 I HA -0.295 3.874 4.170 -0.002 0.000 0.240 719 I C 2.556 178.504 176.117 -0.282 0.000 1.078 719 I CA 1.536 62.705 61.300 -0.218 0.000 1.343 719 I CB -0.477 37.394 38.000 -0.216 0.000 1.046 719 I HN 0.186 nan 8.210 nan 0.000 0.405 720 S N 0.995 116.558 115.700 -0.228 0.000 2.359 720 S HA -0.296 4.172 4.470 -0.002 0.000 0.224 720 S C 2.016 176.594 174.600 -0.037 0.000 1.035 720 S CA 1.593 59.706 58.200 -0.144 0.000 1.018 720 S CB -0.522 62.770 63.200 0.153 0.000 0.876 720 S HN 0.371 nan 8.310 nan 0.000 0.448 721 K N 1.934 122.313 120.400 -0.035 0.000 2.032 721 K HA -0.040 4.279 4.320 -0.002 0.000 0.209 721 K C 2.302 178.881 176.600 -0.035 0.000 1.048 721 K CA 1.313 57.593 56.287 -0.012 0.000 0.927 721 K CB -0.786 31.703 32.500 -0.018 0.000 0.712 721 K HN 0.441 nan 8.250 nan 0.000 0.441 722 A N 0.932 123.701 122.820 -0.086 0.000 1.940 722 A HA -0.131 4.188 4.320 -0.002 0.000 0.219 722 A C 2.097 179.614 177.584 -0.112 0.000 1.176 722 A CA 1.453 53.431 52.037 -0.098 0.000 0.631 722 A CB -0.558 18.361 19.000 -0.135 0.000 0.814 722 A HN 0.347 nan 8.150 nan 0.000 0.446 723 L N -0.888 120.228 121.223 -0.177 0.000 2.095 723 L HA -0.102 4.237 4.340 -0.002 0.000 0.204 723 L C 2.516 179.419 176.870 0.055 0.000 1.080 723 L CA 0.763 55.509 54.840 -0.157 0.000 0.759 723 L CB -0.595 41.184 42.059 -0.467 0.000 0.914 723 L HN 0.228 nan 8.230 nan 0.000 0.439 724 V N 0.036 120.025 119.914 0.126 0.000 2.287 724 V HA -0.325 3.794 4.120 -0.002 0.000 0.248 724 V C 2.004 178.138 176.094 0.067 0.000 1.053 724 V CA 2.055 64.435 62.300 0.134 0.000 1.027 724 V CB -0.541 31.354 31.823 0.120 0.000 0.646 724 V HN 0.424 nan 8.190 nan 0.000 0.447 725 D N -0.721 119.700 120.400 0.034 0.000 2.263 725 D HA -0.098 4.541 4.640 -0.002 0.000 0.208 725 D C 1.577 177.890 176.300 0.022 0.000 0.971 725 D CA 1.062 55.074 54.000 0.021 0.000 0.867 725 D CB 0.080 40.883 40.800 0.005 0.000 0.929 725 D HN 0.389 nan 8.370 nan 0.000 0.492 726 V N -0.838 119.091 119.914 0.024 0.000 3.319 726 V HA 0.344 4.463 4.120 -0.002 0.000 0.317 726 V C 0.992 177.114 176.094 0.047 0.000 1.411 726 V CA 0.758 63.074 62.300 0.028 0.000 1.112 726 V CB -0.095 31.738 31.823 0.016 0.000 1.031 726 V HN 0.295 nan 8.190 nan 0.000 0.448 727 G N 1.011 109.847 108.800 0.061 0.000 2.221 727 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.265 727 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.265 727 G C 0.064 175.025 174.900 0.101 0.000 1.041 727 G CA 0.437 45.582 45.100 0.075 0.000 0.807 727 G HN 0.762 nan 8.290 nan 0.000 0.502 728 V N 0.584 120.577 119.914 0.133 0.000 2.432 728 V HA 0.432 4.551 4.120 -0.002 0.000 0.275 728 V C 0.500 176.768 176.094 0.290 0.000 1.043 728 V CA -0.543 61.867 62.300 0.182 0.000 0.925 728 V CB 1.675 33.598 31.823 0.166 0.000 0.985 728 V HN 0.416 nan 8.190 nan 0.000 0.466 729 D N 4.219 124.765 120.400 0.243 0.000 2.345 729 D HA 0.547 5.186 4.640 -0.002 0.000 0.247 729 D C -0.544 175.987 176.300 0.386 0.000 1.108 729 D CA 0.177 54.315 54.000 0.229 0.000 0.894 729 D CB 0.757 41.627 40.800 0.117 0.000 1.203 729 D HN 0.365 nan 8.370 nan 0.000 0.430 730 F N -0.389 119.637 119.950 0.126 0.000 2.817 730 F HA 0.460 4.985 4.527 -0.002 0.000 0.317 730 F C -1.484 174.376 175.800 0.101 0.000 1.168 730 F CA -1.052 57.045 58.000 0.162 0.000 0.911 730 F CB 0.875 40.003 39.000 0.213 0.000 1.337 730 F HN 0.192 nan 8.300 nan 0.000 0.464 731 Q N 1.089 120.986 119.800 0.161 0.000 2.345 731 Q HA 0.831 5.170 4.340 -0.002 0.000 0.268 731 Q C -1.264 174.748 176.000 0.020 0.000 1.054 731 Q CA -1.285 54.515 55.803 -0.005 0.000 0.835 731 Q CB 2.502 31.294 28.738 0.089 0.000 1.339 731 Q HN 1.037 nan 8.270 nan 0.000 0.447 732 A N 1.988 124.793 122.820 -0.024 0.000 2.556 732 A HA 0.847 5.165 4.320 -0.002 0.000 0.294 732 A C -1.605 175.976 177.584 -0.005 0.000 1.091 732 A CA -0.569 51.489 52.037 0.034 0.000 0.704 732 A CB 2.022 21.101 19.000 0.132 0.000 1.300 732 A HN 0.634 nan 8.150 nan 0.000 0.406 733 M N 1.322 120.905 119.600 -0.029 0.000 2.284 733 M HA 0.605 5.084 4.480 -0.002 0.000 0.281 733 M C -1.880 174.329 176.300 -0.152 0.000 1.083 733 M CA -0.457 54.697 55.300 -0.243 0.000 0.965 733 M CB 1.219 33.622 32.600 -0.329 0.000 1.717 733 M HN 0.972 nan 8.290 nan 0.000 0.479 734 W N 4.242 125.404 121.300 -0.230 0.000 2.509 734 W HA 0.783 5.442 4.660 -0.002 0.000 0.351 734 W C -2.050 174.226 176.519 -0.405 0.000 1.107 734 W CA -0.804 56.475 57.345 -0.110 0.000 1.264 734 W CB 0.432 29.879 29.460 -0.021 0.000 1.312 734 W HN 0.600 nan 8.180 nan 0.000 0.608 735 Y N 2.310 122.741 120.300 0.219 0.000 2.376 735 Y HA 0.288 4.836 4.550 -0.002 0.000 0.326 735 Y C 0.769 176.805 175.900 0.226 0.000 0.970 735 Y CA -1.160 56.988 58.100 0.080 0.000 1.248 735 Y CB 1.456 39.931 38.460 0.026 0.000 1.117 735 Y HN 0.629 nan 8.280 nan 0.000 0.476 736 T N 1.106 115.879 114.554 0.366 0.000 2.867 736 T HA 0.108 4.457 4.350 -0.002 0.000 0.297 736 T C 0.380 175.220 174.700 0.234 0.000 0.989 736 T CA 0.211 62.495 62.100 0.307 0.000 1.159 736 T CB 0.159 69.163 68.868 0.227 0.000 0.928 736 T HN 0.777 nan 8.240 nan 0.000 0.538 737 D N 0.858 121.400 120.400 0.236 0.000 3.079 737 D HA -0.113 4.526 4.640 -0.002 0.000 0.214 737 D C -0.025 176.490 176.300 0.358 0.000 1.145 737 D CA 1.109 55.267 54.000 0.263 0.000 0.958 737 D CB -0.724 40.072 40.800 -0.007 0.000 1.117 737 D HN 0.719 nan 8.370 nan 0.000 0.416 738 E N 0.800 121.180 120.200 0.301 0.000 2.277 738 E HA 0.355 4.704 4.350 -0.002 0.000 0.274 738 E C 0.681 177.455 176.600 0.290 0.000 1.022 738 E CA -0.289 56.279 56.400 0.281 0.000 0.853 738 E CB 1.261 31.109 29.700 0.247 0.000 1.086 738 E HN 0.326 nan 8.360 nan 0.000 0.397 739 D N -0.553 120.022 120.400 0.292 0.000 2.541 739 D HA 0.016 4.654 4.640 -0.002 0.000 0.276 739 D C 1.060 177.582 176.300 0.369 0.000 1.190 739 D CA -0.216 53.976 54.000 0.320 0.000 1.095 739 D CB -0.142 40.865 40.800 0.344 0.000 1.173 739 D HN 0.403 nan 8.370 nan 0.000 0.604 740 H N -1.470 117.779 119.070 0.299 0.000 2.456 740 H HA 0.092 4.647 4.556 -0.002 0.000 0.296 740 H C 1.963 177.565 175.328 0.456 0.000 1.079 740 H CA 2.096 58.352 56.048 0.347 0.000 1.322 740 H CB -0.423 29.537 29.762 0.331 0.000 1.388 740 H HN 0.488 nan 8.280 nan 0.000 0.538 741 G N -0.012 108.997 108.800 0.347 0.000 2.464 741 G HA2 -0.066 3.892 3.960 -0.002 0.000 0.217 741 G HA3 -0.066 3.892 3.960 -0.002 0.000 0.217 741 G C 0.700 175.808 174.900 0.347 0.000 1.138 741 G CA 0.380 45.621 45.100 0.235 0.000 0.793 741 G HN 0.523 nan 8.290 nan 0.000 0.539 742 I N 0.162 120.928 120.570 0.326 0.000 5.071 742 I HA -0.318 3.851 4.170 -0.002 0.000 0.126 742 I C 1.454 177.695 176.117 0.207 0.000 1.290 742 I CA 0.146 61.579 61.300 0.223 0.000 2.644 742 I CB -1.052 37.036 38.000 0.146 0.000 2.208 742 I HN 0.243 nan 8.210 nan 0.000 0.322 743 A N 1.519 124.438 122.820 0.165 0.000 2.431 743 A HA 0.302 4.621 4.320 -0.002 0.000 0.239 743 A C 1.130 178.766 177.584 0.085 0.000 1.230 743 A CA 0.521 52.624 52.037 0.109 0.000 0.928 743 A CB 0.219 19.251 19.000 0.053 0.000 1.006 743 A HN 0.654 nan 8.150 nan 0.000 0.520 744 S N 0.108 115.871 115.700 0.105 0.000 2.558 744 S HA 0.091 4.560 4.470 -0.002 0.000 0.288 744 S C 1.246 175.906 174.600 0.099 0.000 1.318 744 S CA 0.459 58.715 58.200 0.093 0.000 1.056 744 S CB 0.945 64.206 63.200 0.101 0.000 0.853 744 S HN 0.652 nan 8.310 nan 0.000 0.505 745 S N 2.806 118.552 115.700 0.078 0.000 2.365 745 S HA -0.202 4.267 4.470 -0.002 0.000 0.225 745 S C 2.085 176.750 174.600 0.108 0.000 1.039 745 S CA 2.352 60.605 58.200 0.088 0.000 1.033 745 S CB -1.617 61.614 63.200 0.051 0.000 0.887 745 S HN 1.093 nan 8.310 nan 0.000 0.447 746 T N -0.380 114.222 114.554 0.081 0.000 2.777 746 T HA 0.181 4.529 4.350 -0.002 0.000 0.266 746 T C 1.986 176.733 174.700 0.078 0.000 1.040 746 T CA 1.310 63.456 62.100 0.076 0.000 1.141 746 T CB -0.921 67.987 68.868 0.066 0.000 0.868 746 T HN 0.491 nan 8.240 nan 0.000 0.444 747 A N 1.482 124.330 122.820 0.047 0.000 1.897 747 A HA -0.045 4.274 4.320 -0.002 0.000 0.215 747 A C 2.207 179.734 177.584 -0.095 0.000 1.181 747 A CA 1.888 53.878 52.037 -0.079 0.000 0.620 747 A CB -1.263 17.658 19.000 -0.133 0.000 0.821 747 A HN 0.744 nan 8.150 nan 0.000 0.443 748 H N 0.009 119.056 119.070 -0.037 0.000 2.353 748 H HA -0.169 4.386 4.556 -0.002 0.000 0.298 748 H C 2.056 177.442 175.328 0.096 0.000 1.103 748 H CA 2.422 58.502 56.048 0.053 0.000 1.293 748 H CB -0.213 29.592 29.762 0.072 0.000 1.372 748 H HN 0.584 nan 8.280 nan 0.000 0.501 749 Q N -1.112 118.657 119.800 -0.052 0.000 2.119 749 Q HA -0.169 4.170 4.340 -0.002 0.000 0.201 749 Q C 2.204 178.166 176.000 -0.064 0.000 0.972 749 Q CA 1.185 56.926 55.803 -0.104 0.000 0.847 749 Q CB -0.173 28.553 28.738 -0.019 0.000 0.903 749 Q HN 0.645 nan 8.270 nan 0.000 0.433 750 H N 0.755 119.775 119.070 -0.082 0.000 2.353 750 H HA -0.080 4.475 4.556 -0.002 0.000 0.300 750 H C 1.991 177.309 175.328 -0.018 0.000 1.090 750 H CA 1.316 57.352 56.048 -0.020 0.000 1.327 750 H CB 0.041 29.846 29.762 0.071 0.000 1.383 750 H HN 0.281 nan 8.280 nan 0.000 0.508 751 I N -0.088 120.464 120.570 -0.030 0.000 2.286 751 I HA -0.287 3.882 4.170 -0.002 0.000 0.245 751 I C 1.747 177.681 176.117 -0.305 0.000 1.104 751 I CA 1.034 62.269 61.300 -0.108 0.000 1.397 751 I CB -0.254 37.504 38.000 -0.404 0.000 1.072 751 I HN 0.101 nan 8.210 nan 0.000 0.417 752 Y N 1.135 121.226 120.300 -0.348 0.000 2.293 752 Y HA -0.191 4.357 4.550 -0.002 0.000 0.291 752 Y C 2.709 178.366 175.900 -0.405 0.000 1.137 752 Y CA 1.810 59.569 58.100 -0.569 0.000 1.202 752 Y CB -0.905 37.209 38.460 -0.577 0.000 0.990 752 Y HN 0.157 nan 8.280 nan 0.000 0.537 753 T N -1.476 112.982 114.554 -0.160 0.000 2.674 753 T HA -0.249 4.100 4.350 -0.002 0.000 0.265 753 T C 1.590 176.147 174.700 -0.238 0.000 1.039 753 T CA 1.909 63.869 62.100 -0.234 0.000 1.150 753 T CB -0.553 68.177 68.868 -0.231 0.000 0.864 753 T HN 0.361 nan 8.240 nan 0.000 0.427 754 H N 1.185 120.120 119.070 -0.224 0.000 2.289 754 H HA -0.013 4.542 4.556 -0.002 0.000 0.296 754 H C 2.186 177.499 175.328 -0.026 0.000 1.091 754 H CA 1.793 57.797 56.048 -0.073 0.000 1.274 754 H CB -0.432 29.321 29.762 -0.015 0.000 1.364 754 H HN 0.285 nan 8.280 nan 0.000 0.490 755 M N -0.862 118.661 119.600 -0.128 0.000 2.159 755 M HA -0.170 4.309 4.480 -0.002 0.000 0.263 755 M C 2.428 178.801 176.300 0.121 0.000 1.063 755 M CA 1.637 56.852 55.300 -0.142 0.000 1.110 755 M CB -0.076 32.219 32.600 -0.508 0.000 1.374 755 M HN 0.199 nan 8.290 nan 0.000 0.411 756 S N -0.621 115.159 115.700 0.133 0.000 2.355 756 S HA -0.143 4.326 4.470 -0.002 0.000 0.222 756 S C 1.659 176.356 174.600 0.161 0.000 1.031 756 S CA 0.967 59.352 58.200 0.308 0.000 0.993 756 S CB -0.612 62.770 63.200 0.303 0.000 0.859 756 S HN 0.457 nan 8.310 nan 0.000 0.453 757 H N 0.569 119.711 119.070 0.120 0.000 2.289 757 H HA -0.115 4.440 4.556 -0.002 0.000 0.296 757 H C 1.964 177.311 175.328 0.033 0.000 1.091 757 H CA 1.562 57.644 56.048 0.055 0.000 1.274 757 H CB -1.047 28.722 29.762 0.012 0.000 1.364 757 H HN 0.426 nan 8.280 nan 0.000 0.490 758 F N 1.304 121.253 119.950 -0.001 0.000 2.063 758 F HA -0.246 4.280 4.527 -0.002 0.000 0.298 758 F C 2.450 178.220 175.800 -0.050 0.000 1.109 758 F CA 1.323 59.287 58.000 -0.061 0.000 1.212 758 F CB -0.405 38.521 39.000 -0.123 0.000 0.973 758 F HN -0.001 nan 8.300 nan 0.000 0.480 759 I N 0.479 121.078 120.570 0.048 0.000 2.315 759 I HA -0.260 3.909 4.170 -0.002 0.000 0.248 759 I C 2.246 178.215 176.117 -0.247 0.000 1.117 759 I CA 1.460 62.639 61.300 -0.202 0.000 1.404 759 I CB -1.209 36.748 38.000 -0.072 0.000 1.071 759 I HN 0.261 nan 8.210 nan 0.000 0.419 760 K N 0.207 120.589 120.400 -0.030 0.000 2.097 760 K HA -0.172 4.147 4.320 -0.002 0.000 0.206 760 K C 2.214 178.823 176.600 0.014 0.000 1.049 760 K CA 1.182 57.498 56.287 0.047 0.000 0.933 760 K CB -0.166 32.411 32.500 0.129 0.000 0.717 760 K HN 0.279 nan 8.250 nan 0.000 0.442 761 Q N 0.312 120.076 119.800 -0.059 0.000 2.020 761 Q HA -0.192 4.147 4.340 -0.002 0.000 0.202 761 Q C 2.362 178.293 176.000 -0.115 0.000 0.982 761 Q CA 1.584 57.332 55.803 -0.091 0.000 0.838 761 Q CB -1.193 27.454 28.738 -0.152 0.000 0.899 761 Q HN 0.630 nan 8.270 nan 0.000 0.423 762 c N -0.195 118.239 118.600 -0.276 0.000 2.403 762 c HA -0.128 4.441 4.570 -0.002 0.000 0.277 762 c C 2.079 176.239 174.090 0.117 0.000 1.248 762 c CA 0.889 57.082 56.329 -0.226 0.000 1.762 762 c CB -1.343 40.862 42.510 -0.508 0.000 2.014 762 c HN 0.629 nan 8.230 nan 0.000 0.486 763 F N 1.038 120.954 119.950 -0.057 0.000 2.749 763 F HA 0.227 4.753 4.527 -0.002 0.000 0.300 763 F C 1.698 177.486 175.800 -0.020 0.000 1.103 763 F CA 0.744 58.731 58.000 -0.022 0.000 1.342 763 F CB -0.856 38.142 39.000 -0.004 0.000 1.098 763 F HN 0.278 nan 8.300 nan 0.000 0.586 764 S N 0.505 116.298 115.700 0.156 0.000 3.808 764 S HA -0.183 4.285 4.470 -0.002 0.000 0.312 764 S C -0.160 174.484 174.600 0.073 0.000 1.134 764 S CA -0.023 58.224 58.200 0.079 0.000 0.884 764 S CB -2.308 60.922 63.200 0.051 0.000 0.918 764 S HN 0.168 nan 8.310 nan 0.000 0.523 765 L N 1.054 122.335 121.223 0.096 0.000 2.334 765 L HA 0.586 4.924 4.340 -0.002 0.000 0.275 765 L C -1.354 175.561 176.870 0.075 0.000 1.036 765 L CA -2.170 52.721 54.840 0.084 0.000 0.807 765 L CB 0.187 42.311 42.059 0.108 0.000 1.231 765 L HN -0.032 nan 8.230 nan 0.000 0.438 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.139 63.100 0.065 0.000 0.800 766 P CB 0.000 31.734 31.700 0.057 0.000 0.726