REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2onc_1_C DATA FIRST_RESID 40 DATA SEQUENCE AKTYTLTDYL KNTYRLKLYS LRWISDHEYL YKXXNNILVF 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 DKXXcTFITK GTWEVIGIEA LTSDYLYYIS NEYKGMPGGR NLYKIQLSDY DATA SEQUENCE TKVTCLSCEL NPERcQYYSV SFSKEAKYYQ LRcSGPGLPL YTLHSSVNDK DATA SEQUENCE GLRVLEDNSA LDKMLQNVQM PSKKLDFIIL NETKFWYQMI LPPHFDKSKK DATA SEQUENCE YPLLLDVYAG PCSQKADTVF RLNWATYLAS TENIIVASFD GRGSGYQGDK DATA SEQUENCE IMHAINRRLG TFEVEDQIEA ARQFSKMGFV DNKRIAIWGW SYGGYVTSMV DATA SEQUENCE LGSGSGVFKc GIAVAPVSRW EYYDSVYTER YMGLPTPEDN LDHYRNSTVM DATA SEQUENCE SRAENFKQVE YLLIHGTADD NVHFQQSAQI SKALVDVGVD FQAMWYTDED DATA SEQUENCE HGIASSTAHQ HIYTHMSHFI KQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 40 A HA 0.000 nan 4.320 nan 0.000 0.244 40 A C 0.000 177.636 177.584 0.086 0.000 1.274 40 A CA 0.000 52.083 52.037 0.077 0.000 0.836 40 A CB 0.000 19.039 19.000 0.065 0.000 0.831 41 K N 0.311 120.767 120.400 0.095 0.000 2.303 41 K HA 0.780 5.094 4.320 -0.010 0.000 0.233 41 K C -0.052 176.615 176.600 0.112 0.000 1.046 41 K CA 0.056 56.406 56.287 0.104 0.000 0.895 41 K CB 1.273 33.841 32.500 0.112 0.000 1.220 41 K HN 0.212 nan 8.250 nan 0.000 0.470 42 T N -2.681 111.949 114.554 0.127 0.000 2.949 42 T HA 0.227 4.571 4.350 -0.010 0.000 0.287 42 T C -0.869 173.957 174.700 0.210 0.000 1.034 42 T CA -0.749 61.438 62.100 0.144 0.000 1.018 42 T CB 0.634 69.580 68.868 0.131 0.000 1.135 42 T HN 0.522 nan 8.240 nan 0.000 0.532 43 Y N 2.820 123.181 120.300 0.103 0.000 2.584 43 Y HA 0.362 4.906 4.550 -0.010 0.000 0.351 43 Y C 0.965 177.022 175.900 0.262 0.000 1.030 43 Y CA -0.180 58.020 58.100 0.167 0.000 1.332 43 Y CB -0.231 38.283 38.460 0.091 0.000 1.148 43 Y HN 0.991 nan 8.280 nan 0.000 0.528 44 T N 2.458 117.004 114.554 -0.013 0.000 2.862 44 T HA 0.147 4.491 4.350 -0.010 0.000 0.276 44 T C 0.990 175.559 174.700 -0.219 0.000 0.974 44 T CA -0.773 61.356 62.100 0.048 0.000 0.966 44 T CB 1.257 70.130 68.868 0.008 0.000 1.072 44 T HN 0.669 nan 8.240 nan 0.000 0.538 45 L N 1.109 122.014 121.223 -0.530 0.000 2.012 45 L HA -0.029 4.305 4.340 -0.010 0.000 0.210 45 L C 2.689 179.395 176.870 -0.274 0.000 1.073 45 L CA 2.253 56.677 54.840 -0.693 0.000 0.748 45 L CB -1.538 40.029 42.059 -0.819 0.000 0.891 45 L HN 0.971 nan 8.230 nan 0.000 0.431 46 T N -0.564 113.863 114.554 -0.212 0.000 2.759 46 T HA -0.188 4.156 4.350 -0.010 0.000 0.269 46 T C 1.509 176.112 174.700 -0.163 0.000 1.042 46 T CA 1.476 63.487 62.100 -0.148 0.000 1.140 46 T CB -0.451 68.355 68.868 -0.103 0.000 0.864 46 T HN 0.419 nan 8.240 nan 0.000 0.455 47 D N 0.140 120.405 120.400 -0.224 0.000 2.104 47 D HA -0.105 4.529 4.640 -0.010 0.000 0.194 47 D C 1.779 177.970 176.300 -0.182 0.000 0.994 47 D CA 1.165 54.998 54.000 -0.278 0.000 0.830 47 D CB -0.405 40.102 40.800 -0.489 0.000 0.959 47 D HN 0.440 nan 8.370 nan 0.000 0.452 48 Y N 1.335 121.448 120.300 -0.312 0.000 2.200 48 Y HA -0.069 4.476 4.550 -0.010 0.000 0.290 48 Y C 2.182 178.087 175.900 0.008 0.000 1.137 48 Y CA 1.126 59.223 58.100 -0.006 0.000 1.163 48 Y CB -0.490 38.038 38.460 0.113 0.000 0.988 48 Y HN -0.097 nan 8.280 nan 0.000 0.518 49 L N -0.365 120.705 121.223 -0.254 0.000 2.179 49 L HA -0.111 4.224 4.340 -0.010 0.000 0.208 49 L C 1.841 178.607 176.870 -0.173 0.000 1.096 49 L CA 1.306 55.972 54.840 -0.289 0.000 0.779 49 L CB -0.284 41.671 42.059 -0.174 0.000 0.922 49 L HN 0.016 nan 8.230 nan 0.000 0.443 50 K N -0.431 119.889 120.400 -0.133 0.000 2.367 50 K HA 0.058 4.372 4.320 -0.010 0.000 0.194 50 K C 0.306 176.855 176.600 -0.086 0.000 1.027 50 K CA 0.004 56.233 56.287 -0.097 0.000 1.075 50 K CB 0.128 32.575 32.500 -0.089 0.000 0.845 50 K HN 0.049 nan 8.250 nan 0.000 0.529 51 N N -0.009 118.644 118.700 -0.078 0.000 2.814 51 N HA -0.161 4.573 4.740 -0.010 0.000 0.247 51 N C -0.085 175.408 175.510 -0.028 0.000 1.089 51 N CA 1.017 54.054 53.050 -0.022 0.000 0.682 51 N CB -1.611 36.856 38.487 -0.033 0.000 0.970 51 N HN 0.168 nan 8.380 nan 0.000 0.554 52 T N -0.778 113.723 114.554 -0.088 0.000 2.701 52 T HA -0.107 4.237 4.350 -0.010 0.000 0.263 52 T C 0.465 175.006 174.700 -0.265 0.000 1.040 52 T CA 1.454 63.401 62.100 -0.255 0.000 1.147 52 T CB -0.182 68.404 68.868 -0.469 0.000 0.865 52 T HN 0.393 nan 8.240 nan 0.000 0.426 53 Y N 2.096 122.482 120.300 0.143 0.000 2.676 53 Y HA 0.510 5.054 4.550 -0.010 0.000 0.338 53 Y C 0.536 176.543 175.900 0.178 0.000 1.057 53 Y CA -1.039 57.170 58.100 0.183 0.000 1.314 53 Y CB 0.048 38.675 38.460 0.279 0.000 1.164 53 Y HN -0.078 nan 8.280 nan 0.000 0.509 54 R N 2.118 122.751 120.500 0.222 0.000 2.490 54 R HA 0.493 4.828 4.340 -0.010 0.000 0.278 54 R C -0.966 175.442 176.300 0.179 0.000 1.069 54 R CA -0.410 55.790 56.100 0.166 0.000 1.080 54 R CB 0.593 30.950 30.300 0.095 0.000 1.030 54 R HN 0.636 nan 8.270 nan 0.000 0.491 55 L N 4.486 125.807 121.223 0.164 0.000 2.265 55 L HA 0.336 4.670 4.340 -0.010 0.000 0.289 55 L C -0.161 176.780 176.870 0.119 0.000 1.033 55 L CA -0.395 54.544 54.840 0.165 0.000 0.814 55 L CB 1.301 43.476 42.059 0.193 0.000 1.203 55 L HN 0.490 nan 8.230 nan 0.000 0.423 56 K N 5.338 125.800 120.400 0.103 0.000 2.218 56 K HA 0.534 4.848 4.320 -0.010 0.000 0.276 56 K C -0.660 175.951 176.600 0.019 0.000 1.022 56 K CA -0.550 55.770 56.287 0.054 0.000 0.946 56 K CB 1.161 33.691 32.500 0.049 0.000 1.000 56 K HN 0.363 nan 8.250 nan 0.000 0.468 57 L N -0.208 120.961 121.223 -0.090 0.000 2.257 57 L HA 0.532 4.866 4.340 -0.010 0.000 0.257 57 L C -1.075 175.485 176.870 -0.517 0.000 1.033 57 L CA -1.033 53.578 54.840 -0.383 0.000 0.835 57 L CB 0.431 42.444 42.059 -0.077 0.000 1.398 57 L HN 0.644 nan 8.230 nan 0.000 0.429 58 Y N 0.589 120.212 120.300 -1.129 0.000 2.686 58 Y HA 0.450 4.994 4.550 -0.010 0.000 0.331 58 Y C 0.068 175.810 175.900 -0.263 0.000 0.996 58 Y CA -0.151 57.594 58.100 -0.592 0.000 1.293 58 Y CB 1.293 39.348 38.460 -0.674 0.000 1.092 58 Y HN 0.785 nan 8.280 nan 0.000 0.524 59 S N 6.378 121.957 115.700 -0.203 0.000 2.452 59 S HA 0.710 5.174 4.470 -0.010 0.000 0.284 59 S C -0.996 173.537 174.600 -0.112 0.000 1.171 59 S CA -0.498 57.649 58.200 -0.089 0.000 1.064 59 S CB -0.265 62.902 63.200 -0.056 0.000 0.967 59 S HN 0.612 nan 8.310 nan 0.000 0.484 60 L N 3.171 124.317 121.223 -0.129 0.000 2.376 60 L HA 0.793 5.127 4.340 -0.010 0.000 0.258 60 L C -0.815 175.958 176.870 -0.162 0.000 1.013 60 L CA -0.897 53.819 54.840 -0.208 0.000 0.822 60 L CB 1.679 43.347 42.059 -0.652 0.000 1.388 60 L HN 0.492 nan 8.230 nan 0.000 0.413 61 R N 0.946 121.390 120.500 -0.093 0.000 2.473 61 R HA 0.355 4.689 4.340 -0.010 0.000 0.303 61 R C -1.785 174.551 176.300 0.060 0.000 1.002 61 R CA -0.353 55.753 56.100 0.010 0.000 0.884 61 R CB 1.153 31.498 30.300 0.074 0.000 1.173 61 R HN 0.726 nan 8.270 nan 0.000 0.464 62 W N 3.147 124.545 121.300 0.164 0.000 2.210 62 W HA 0.092 4.746 4.660 -0.009 0.000 0.330 62 W C 1.127 177.714 176.519 0.112 0.000 1.334 62 W CA -0.236 57.217 57.345 0.179 0.000 1.227 62 W CB 0.288 29.850 29.460 0.170 0.000 1.178 62 W HN 0.573 nan 8.180 nan 0.000 0.560 63 I N 1.519 122.282 120.570 0.322 0.000 3.194 63 I HA -0.021 4.143 4.170 -0.010 0.000 0.271 63 I C 1.361 177.554 176.117 0.127 0.000 1.150 63 I CA 0.540 61.930 61.300 0.150 0.000 1.440 63 I CB -0.510 37.502 38.000 0.021 0.000 1.276 63 I HN 0.363 nan 8.210 nan 0.000 0.457 64 S N -0.733 115.035 115.700 0.113 0.000 2.721 64 S HA 0.300 4.764 4.470 -0.010 0.000 0.296 64 S C 0.586 175.239 174.600 0.089 0.000 1.093 64 S CA -0.371 57.839 58.200 0.017 0.000 0.959 64 S CB 0.888 63.940 63.200 -0.247 0.000 1.301 64 S HN 0.124 nan 8.310 nan 0.000 0.550 65 D N -0.293 120.157 120.400 0.083 0.000 2.340 65 D HA 0.087 4.721 4.640 -0.010 0.000 0.220 65 D C 0.926 177.438 176.300 0.352 0.000 1.039 65 D CA 0.630 54.727 54.000 0.161 0.000 0.866 65 D CB -0.072 40.849 40.800 0.201 0.000 0.913 65 D HN 0.722 nan 8.370 nan 0.000 0.523 66 H N -2.479 116.806 119.070 0.358 0.000 3.566 66 H HA 0.381 4.931 4.556 -0.010 0.000 0.259 66 H C -0.446 175.100 175.328 0.363 0.000 1.184 66 H CA -0.340 55.972 56.048 0.440 0.000 1.107 66 H CB 0.127 30.137 29.762 0.414 0.000 1.726 66 H HN 0.013 nan 8.280 nan 0.000 0.743 67 E N 1.068 121.396 120.200 0.214 0.000 2.317 67 E HA 0.461 4.805 4.350 -0.010 0.000 0.270 67 E C -1.587 175.185 176.600 0.287 0.000 0.885 67 E CA -1.179 55.301 56.400 0.134 0.000 0.760 67 E CB 3.070 32.734 29.700 -0.060 0.000 1.227 67 E HN 0.276 nan 8.360 nan 0.000 0.434 68 Y N -0.790 119.517 120.300 0.012 0.000 2.625 68 Y HA 0.600 5.145 4.550 -0.010 0.000 0.338 68 Y C -1.853 174.033 175.900 -0.023 0.000 1.123 68 Y CA -1.341 56.671 58.100 -0.147 0.000 1.046 68 Y CB 0.758 38.786 38.460 -0.719 0.000 1.299 68 Y HN 0.363 nan 8.280 nan 0.000 0.464 69 L N 2.988 124.355 121.223 0.239 0.000 2.343 69 L HA 0.519 4.854 4.340 -0.010 0.000 0.275 69 L C -1.166 175.927 176.870 0.372 0.000 1.056 69 L CA -0.947 54.039 54.840 0.244 0.000 0.804 69 L CB 1.424 43.572 42.059 0.148 0.000 1.203 69 L HN 0.780 nan 8.230 nan 0.000 0.440 70 Y N 2.574 123.004 120.300 0.218 0.000 2.492 70 Y HA 0.392 4.936 4.550 -0.010 0.000 0.346 70 Y C -0.343 175.598 175.900 0.068 0.000 0.997 70 Y CA -1.116 57.008 58.100 0.040 0.000 1.025 70 Y CB 1.578 39.928 38.460 -0.184 0.000 1.263 70 Y HN 0.487 nan 8.280 nan 0.000 0.454 75 N N 1.251 119.902 118.700 -0.082 0.000 2.530 75 N HA 0.334 5.068 4.740 -0.010 0.000 0.277 75 N C -0.014 175.454 175.510 -0.071 0.000 1.168 75 N CA 0.174 53.183 53.050 -0.068 0.000 0.979 75 N CB 1.553 40.015 38.487 -0.041 0.000 1.141 75 N HN 0.106 nan 8.380 nan 0.000 0.459 76 I N 3.089 123.630 120.570 -0.049 0.000 2.361 76 I HA 0.187 4.352 4.170 -0.010 0.000 0.282 76 I C -0.540 175.625 176.117 0.080 0.000 1.075 76 I CA -0.527 60.768 61.300 -0.009 0.000 1.205 76 I CB 0.288 38.250 38.000 -0.065 0.000 1.406 76 I HN 0.125 nan 8.210 nan 0.000 0.481 77 L N 6.480 127.772 121.223 0.116 0.000 2.357 77 L HA 0.452 4.787 4.340 -0.010 0.000 0.273 77 L C 0.062 176.981 176.870 0.082 0.000 1.080 77 L CA -0.587 54.279 54.840 0.044 0.000 0.803 77 L CB 1.241 43.244 42.059 -0.093 0.000 1.174 77 L HN 0.167 nan 8.230 nan 0.000 0.443 78 V N 2.519 122.393 119.914 -0.066 0.000 2.407 78 V HA 0.388 4.502 4.120 -0.010 0.000 0.278 78 V C -0.335 175.607 176.094 -0.254 0.000 1.037 78 V CA -0.367 61.891 62.300 -0.071 0.000 0.900 78 V CB 0.795 32.578 31.823 -0.067 0.000 0.983 78 V HN 0.358 nan 8.190 nan 0.000 0.459 79 F N 2.702 122.415 119.950 -0.396 0.000 2.450 79 F HA 0.451 4.972 4.527 -0.010 0.000 0.332 79 F C 0.434 175.982 175.800 -0.420 0.000 1.093 79 F CA -0.812 56.901 58.000 -0.478 0.000 1.003 79 F CB 1.371 39.874 39.000 -0.827 0.000 1.151 79 F HN 0.434 nan 8.300 nan 0.000 0.474 80 N N 1.406 120.072 118.700 -0.057 0.000 2.485 80 N HA 0.440 5.174 4.740 -0.010 0.000 0.243 80 N C 0.556 176.062 175.510 -0.007 0.000 0.987 80 N CA -0.054 53.011 53.050 0.025 0.000 0.940 80 N CB 1.374 39.939 38.487 0.129 0.000 1.122 80 N HN 0.686 nan 8.380 nan 0.000 0.509 81 A N 2.899 125.659 122.820 -0.099 0.000 2.024 81 A HA -0.182 4.132 4.320 -0.010 0.000 0.220 81 A C 1.888 179.237 177.584 -0.393 0.000 1.164 81 A CA 1.418 53.285 52.037 -0.284 0.000 0.643 81 A CB -0.451 18.220 19.000 -0.548 0.000 0.806 81 A HN 0.825 nan 8.150 nan 0.000 0.451 82 E N -2.130 117.902 120.200 -0.280 0.000 2.072 82 E HA -0.166 4.178 4.350 -0.010 0.000 0.191 82 E C 1.193 177.495 176.600 -0.497 0.000 0.985 82 E CA 1.597 57.823 56.400 -0.290 0.000 0.801 82 E CB -0.066 29.492 29.700 -0.236 0.000 0.750 82 E HN 0.789 nan 8.360 nan 0.000 0.452 83 Y N -2.727 117.578 120.300 0.009 0.000 3.059 83 Y HA 0.406 4.950 4.550 -0.009 0.000 0.212 83 Y C 1.597 177.497 175.900 0.001 0.000 0.947 83 Y CA 0.287 58.392 58.100 0.009 0.000 1.571 83 Y CB 0.747 39.213 38.460 0.010 0.000 1.432 83 Y HN 0.069 nan 8.280 nan 0.000 0.450 84 G N -0.177 108.731 108.800 0.180 0.000 2.870 84 G HA2 -0.168 3.787 3.960 -0.010 0.000 0.216 84 G HA3 -0.168 3.787 3.960 -0.010 0.000 0.216 84 G C -0.883 174.042 174.900 0.040 0.000 0.973 84 G CA -0.376 44.788 45.100 0.107 0.000 0.807 84 G HN 0.339 nan 8.290 nan 0.000 0.573 85 N N 1.269 119.987 118.700 0.029 0.000 2.468 85 N HA 0.391 5.125 4.740 -0.010 0.000 0.265 85 N C -0.545 174.884 175.510 -0.136 0.000 1.199 85 N CA 0.424 53.445 53.050 -0.049 0.000 0.928 85 N CB 1.300 39.758 38.487 -0.048 0.000 1.059 85 N HN 0.065 nan 8.380 nan 0.000 0.467 86 S N 0.856 116.424 115.700 -0.221 0.000 2.640 86 S HA 0.371 4.835 4.470 -0.010 0.000 0.320 86 S C -0.315 174.128 174.600 -0.261 0.000 1.097 86 S CA -0.949 57.012 58.200 -0.399 0.000 1.092 86 S CB 0.745 63.482 63.200 -0.771 0.000 0.988 86 S HN 0.727 nan 8.310 nan 0.000 0.470 87 S N 1.454 117.037 115.700 -0.195 0.000 2.549 87 S HA 0.717 5.181 4.470 -0.010 0.000 0.297 87 S C 0.288 174.841 174.600 -0.079 0.000 1.115 87 S CA -0.954 57.181 58.200 -0.109 0.000 1.059 87 S CB 1.004 64.172 63.200 -0.054 0.000 1.046 87 S HN 0.694 nan 8.310 nan 0.000 0.506 88 V N 0.514 120.398 119.914 -0.050 0.000 2.811 88 V HA 0.442 4.557 4.120 -0.010 0.000 0.302 88 V C 0.333 176.468 176.094 0.068 0.000 1.063 88 V CA -0.201 62.093 62.300 -0.010 0.000 1.088 88 V CB 0.106 31.905 31.823 -0.040 0.000 0.982 88 V HN 0.990 nan 8.190 nan 0.000 0.485 89 F N 3.039 122.952 119.950 -0.062 0.000 2.680 89 F HA 0.622 5.143 4.527 -0.009 0.000 0.290 89 F C 0.131 175.905 175.800 -0.043 0.000 1.114 89 F CA -0.118 57.858 58.000 -0.040 0.000 1.333 89 F CB 0.956 39.946 39.000 -0.017 0.000 1.091 89 F HN 0.496 nan 8.300 nan 0.000 0.606 90 L N 1.189 122.421 121.223 0.015 0.000 2.639 90 L HA 0.289 4.623 4.340 -0.010 0.000 0.264 90 L C -0.766 176.049 176.870 -0.092 0.000 0.948 90 L CA -0.384 54.406 54.840 -0.083 0.000 0.912 90 L CB 1.512 43.560 42.059 -0.019 0.000 1.294 90 L HN -0.109 nan 8.230 nan 0.000 0.412 91 E N 2.058 122.176 120.200 -0.137 0.000 2.408 91 E HA 0.071 4.415 4.350 -0.010 0.000 0.259 91 E C 0.333 176.861 176.600 -0.120 0.000 1.110 91 E CA -0.048 56.279 56.400 -0.121 0.000 0.929 91 E CB 0.687 30.308 29.700 -0.132 0.000 0.971 91 E HN 0.657 nan 8.360 nan 0.000 0.438 92 N N 0.397 119.042 118.700 -0.091 0.000 2.567 92 N HA -0.062 4.672 4.740 -0.010 0.000 0.195 92 N C 0.300 175.764 175.510 -0.078 0.000 1.242 92 N CA 0.412 53.416 53.050 -0.077 0.000 0.884 92 N CB 0.344 38.794 38.487 -0.062 0.000 1.007 92 N HN 0.024 nan 8.380 nan 0.000 0.450 93 S N -1.328 114.306 115.700 -0.110 0.000 2.733 93 S HA 0.085 4.549 4.470 -0.010 0.000 0.247 93 S C 1.225 175.717 174.600 -0.181 0.000 1.043 93 S CA -0.282 57.851 58.200 -0.112 0.000 1.066 93 S CB 0.415 63.557 63.200 -0.096 0.000 1.045 93 S HN 0.388 nan 8.310 nan 0.000 0.586 94 T N 1.273 115.645 114.554 -0.304 0.000 2.833 94 T HA 0.020 4.364 4.350 -0.010 0.000 0.269 94 T C 0.367 174.599 174.700 -0.780 0.000 1.054 94 T CA 1.156 62.886 62.100 -0.616 0.000 1.135 94 T CB -0.286 68.018 68.868 -0.940 0.000 0.869 94 T HN 0.394 nan 8.240 nan 0.000 0.466 95 F N 0.992 120.844 119.950 -0.164 0.000 2.879 95 F HA 0.387 4.908 4.527 -0.010 0.000 0.354 95 F C 0.660 176.436 175.800 -0.041 0.000 1.291 95 F CA -1.229 56.694 58.000 -0.128 0.000 1.238 95 F CB 0.242 39.074 39.000 -0.280 0.000 1.005 95 F HN -0.075 nan 8.300 nan 0.000 0.508 96 D N 0.243 120.681 120.400 0.063 0.000 2.194 96 D HA -0.082 4.552 4.640 -0.010 0.000 0.204 96 D C 1.682 178.023 176.300 0.068 0.000 0.964 96 D CA 1.103 55.132 54.000 0.049 0.000 0.846 96 D CB 0.124 40.923 40.800 -0.003 0.000 0.962 96 D HN 0.292 nan 8.370 nan 0.000 0.490 97 E N -0.301 119.943 120.200 0.074 0.000 2.437 97 E HA -0.010 4.334 4.350 -0.010 0.000 0.189 97 E C 1.286 177.928 176.600 0.070 0.000 1.054 97 E CA -0.268 56.160 56.400 0.046 0.000 0.874 97 E CB -0.341 29.370 29.700 0.018 0.000 1.011 97 E HN 0.324 nan 8.360 nan 0.000 0.474 98 F N 1.815 121.760 119.950 -0.009 0.000 2.134 98 F HA -0.067 4.454 4.527 -0.010 0.000 0.299 98 F C 1.825 177.539 175.800 -0.144 0.000 1.097 98 F CA 2.134 60.120 58.000 -0.023 0.000 1.264 98 F CB 0.159 39.161 39.000 0.003 0.000 1.001 98 F HN 0.271 nan 8.300 nan 0.000 0.479 99 G N -1.417 107.329 108.800 -0.089 0.000 2.268 99 G HA2 -0.239 3.715 3.960 -0.010 0.000 0.240 99 G HA3 -0.239 3.715 3.960 -0.010 0.000 0.240 99 G C 0.278 174.928 174.900 -0.416 0.000 1.010 99 G CA 0.286 45.185 45.100 -0.336 0.000 0.618 99 G HN 0.518 nan 8.290 nan 0.000 0.516 100 H N 0.027 119.168 119.070 0.118 0.000 2.710 100 H HA 0.700 5.250 4.556 -0.010 0.000 0.361 100 H C -0.414 175.012 175.328 0.163 0.000 1.175 100 H CA 0.090 56.224 56.048 0.142 0.000 1.206 100 H CB 1.657 31.436 29.762 0.029 0.000 1.750 100 H HN 0.176 nan 8.280 nan 0.000 0.553 101 S N 1.494 117.328 115.700 0.223 0.000 2.499 101 S HA 0.245 4.709 4.470 -0.010 0.000 0.279 101 S C 0.056 174.680 174.600 0.039 0.000 1.219 101 S CA -0.860 57.395 58.200 0.092 0.000 1.062 101 S CB -0.196 63.048 63.200 0.073 0.000 0.978 101 S HN 0.315 nan 8.310 nan 0.000 0.489 102 I N 5.534 126.056 120.570 -0.080 0.000 2.421 102 I HA 0.111 4.275 4.170 -0.010 0.000 0.291 102 I C 1.365 177.446 176.117 -0.060 0.000 1.089 102 I CA 0.116 61.336 61.300 -0.132 0.000 1.354 102 I CB -0.034 37.811 38.000 -0.258 0.000 1.413 102 I HN 0.771 nan 8.210 nan 0.000 0.513 103 N N 4.549 123.227 118.700 -0.037 0.000 2.148 103 N HA -0.089 4.645 4.740 -0.010 0.000 0.186 103 N C 0.164 175.625 175.510 -0.081 0.000 1.031 103 N CA 1.293 54.292 53.050 -0.085 0.000 0.848 103 N CB 0.408 38.823 38.487 -0.119 0.000 1.005 103 N HN 0.733 nan 8.380 nan 0.000 0.427 104 D N -2.965 117.419 120.400 -0.027 0.000 2.615 104 D HA 0.242 4.876 4.640 -0.010 0.000 0.267 104 D C -1.642 174.726 176.300 0.113 0.000 1.236 104 D CA -0.631 53.381 54.000 0.021 0.000 0.839 104 D CB 0.807 41.583 40.800 -0.040 0.000 1.380 104 D HN 0.119 nan 8.370 nan 0.000 0.433 105 Y N -1.263 119.045 120.300 0.014 0.000 2.638 105 Y HA 0.802 5.346 4.550 -0.010 0.000 0.339 105 Y C -1.142 174.834 175.900 0.127 0.000 1.084 105 Y CA -1.114 57.015 58.100 0.048 0.000 1.068 105 Y CB 1.817 40.281 38.460 0.006 0.000 1.294 105 Y HN 0.166 nan 8.280 nan 0.000 0.480 106 S N 2.563 118.414 115.700 0.253 0.000 2.609 106 S HA 0.475 4.939 4.470 -0.010 0.000 0.250 106 S C -1.477 173.427 174.600 0.507 0.000 1.112 106 S CA -0.687 57.672 58.200 0.265 0.000 1.102 106 S CB -0.128 63.231 63.200 0.266 0.000 1.124 106 S HN 0.619 nan 8.310 nan 0.000 0.460 107 I N 4.662 125.462 120.570 0.384 0.000 2.618 107 I HA 0.139 4.303 4.170 -0.010 0.000 0.284 107 I C 1.310 177.381 176.117 -0.076 0.000 1.146 107 I CA 0.070 61.517 61.300 0.246 0.000 1.425 107 I CB 0.517 38.627 38.000 0.183 0.000 1.383 107 I HN 0.771 nan 8.210 nan 0.000 0.562 108 S N 7.201 122.617 115.700 -0.472 0.000 2.568 108 S HA 0.159 4.623 4.470 -0.010 0.000 0.282 108 S C -1.704 172.602 174.600 -0.490 0.000 1.338 108 S CA -0.922 56.553 58.200 -1.209 0.000 1.045 108 S CB 0.649 62.982 63.200 -1.444 0.000 0.873 108 S HN 0.437 nan 8.310 nan 0.000 0.516 109 P HA -0.139 nan 4.420 nan 0.000 0.216 109 P C 0.878 178.116 177.300 -0.105 0.000 1.150 109 P CA 1.540 64.544 63.100 -0.161 0.000 0.837 109 P CB -0.154 31.475 31.700 -0.118 0.000 0.786 110 D N -1.911 118.428 120.400 -0.102 0.000 2.347 110 D HA 0.030 4.664 4.640 -0.010 0.000 0.215 110 D C 1.502 177.789 176.300 -0.021 0.000 0.976 110 D CA 1.006 54.988 54.000 -0.029 0.000 0.884 110 D CB -1.067 39.754 40.800 0.034 0.000 0.915 110 D HN 0.247 nan 8.370 nan 0.000 0.526 111 G N 0.072 108.845 108.800 -0.045 0.000 2.176 111 G HA2 -0.390 3.564 3.960 -0.010 0.000 0.253 111 G HA3 -0.390 3.564 3.960 -0.010 0.000 0.253 111 G C 1.031 175.969 174.900 0.063 0.000 0.979 111 G CA 0.471 45.601 45.100 0.050 0.000 0.641 111 G HN 0.451 nan 8.290 nan 0.000 0.530 112 Q N -1.279 118.452 119.800 -0.115 0.000 2.187 112 Q HA 0.300 4.634 4.340 -0.010 0.000 0.199 112 Q C 0.296 175.889 176.000 -0.678 0.000 0.957 112 Q CA 0.815 56.361 55.803 -0.430 0.000 0.857 112 Q CB 0.230 28.606 28.738 -0.604 0.000 0.929 112 Q HN 0.568 nan 8.270 nan 0.000 0.453 113 F N -0.353 119.548 119.950 -0.082 0.000 2.563 113 F HA 0.475 4.996 4.527 -0.010 0.000 0.316 113 F C -0.525 175.371 175.800 0.161 0.000 1.076 113 F CA -1.227 56.787 58.000 0.023 0.000 0.921 113 F CB 1.758 40.770 39.000 0.020 0.000 1.209 113 F HN -0.167 nan 8.300 nan 0.000 0.462 114 I N 4.406 125.300 120.570 0.540 0.000 2.439 114 I HA 0.439 4.603 4.170 -0.010 0.000 0.283 114 I C -1.626 174.810 176.117 0.532 0.000 1.023 114 I CA -0.983 60.636 61.300 0.532 0.000 1.100 114 I CB 0.940 39.230 38.000 0.483 0.000 1.238 114 I HN 0.525 nan 8.210 nan 0.000 0.445 115 L N 8.386 129.956 121.223 0.578 0.000 2.380 115 L HA 0.462 4.796 4.340 -0.010 0.000 0.273 115 L C -1.200 175.838 176.870 0.281 0.000 1.138 115 L CA 0.274 55.349 54.840 0.390 0.000 0.832 115 L CB 0.936 43.150 42.059 0.257 0.000 1.124 115 L HN 0.544 nan 8.230 nan 0.000 0.454 116 L N 4.861 126.212 121.223 0.213 0.000 2.362 116 L HA 0.518 4.853 4.340 -0.010 0.000 0.275 116 L C -0.357 176.627 176.870 0.190 0.000 0.998 116 L CA -0.526 54.362 54.840 0.080 0.000 0.820 116 L CB 1.771 43.682 42.059 -0.248 0.000 1.270 116 L HN 0.614 nan 8.230 nan 0.000 0.415 117 E N 3.561 123.825 120.200 0.107 0.000 2.133 117 E HA 0.453 4.797 4.350 -0.010 0.000 0.274 117 E C -1.708 174.896 176.600 0.006 0.000 0.930 117 E CA -0.504 55.855 56.400 -0.067 0.000 0.770 117 E CB 1.145 30.873 29.700 0.046 0.000 1.104 117 E HN 0.450 nan 8.360 nan 0.000 0.403 118 Y N 1.770 121.905 120.300 -0.276 0.000 2.689 118 Y HA 0.456 5.000 4.550 -0.010 0.000 0.333 118 Y C -0.243 175.569 175.900 -0.146 0.000 1.190 118 Y CA -1.669 56.344 58.100 -0.144 0.000 1.063 118 Y CB 0.535 38.961 38.460 -0.056 0.000 1.294 118 Y HN 0.507 nan 8.280 nan 0.000 0.466 119 N N -0.570 118.118 118.700 -0.020 0.000 2.754 119 N HA -0.292 4.442 4.740 -0.010 0.000 0.248 119 N C -1.089 174.385 175.510 -0.059 0.000 1.093 119 N CA 0.948 53.946 53.050 -0.087 0.000 0.699 119 N CB -1.833 36.491 38.487 -0.271 0.000 1.016 119 N HN 0.878 nan 8.380 nan 0.000 0.552 120 Y N 0.437 120.668 120.300 -0.115 0.000 2.677 120 Y HA 0.276 4.820 4.550 -0.010 0.000 0.335 120 Y C -0.029 175.836 175.900 -0.058 0.000 1.162 120 Y CA -0.022 58.011 58.100 -0.112 0.000 1.483 120 Y CB 0.590 38.941 38.460 -0.182 0.000 1.209 120 Y HN -0.002 nan 8.280 nan 0.000 0.528 121 V N 8.224 127.845 119.914 -0.489 0.000 2.380 121 V HA 0.181 4.295 4.120 -0.010 0.000 0.286 121 V C -0.215 175.535 176.094 -0.573 0.000 1.015 121 V CA -1.374 60.680 62.300 -0.411 0.000 0.834 121 V CB 1.161 32.864 31.823 -0.200 0.000 1.009 121 V HN 0.714 nan 8.190 nan 0.000 0.428 122 K N 3.283 123.308 120.400 -0.626 0.000 2.412 122 K HA 0.133 4.447 4.320 -0.010 0.000 0.281 122 K C 0.459 176.898 176.600 -0.268 0.000 1.027 122 K CA 0.131 56.183 56.287 -0.391 0.000 0.989 122 K CB 1.152 33.603 32.500 -0.083 0.000 0.935 122 K HN 0.694 nan 8.250 nan 0.000 0.475 123 Q N 4.219 123.838 119.800 -0.302 0.000 2.065 123 Q HA 0.203 4.537 4.340 -0.010 0.000 0.289 123 Q C 0.023 175.818 176.000 -0.341 0.000 0.980 123 Q CA 0.878 56.332 55.803 -0.582 0.000 0.848 123 Q CB -0.152 28.070 28.738 -0.861 0.000 1.433 123 Q HN 0.727 nan 8.270 nan 0.000 0.488 124 W N -0.058 121.222 121.300 -0.032 0.000 1.756 124 W HA 0.392 5.046 4.660 -0.010 0.000 0.638 124 W C 1.961 178.462 176.519 -0.029 0.000 1.472 124 W CA -0.692 56.659 57.345 0.009 0.000 1.437 124 W CB -0.253 29.168 29.460 -0.065 0.000 3.368 124 W HN 0.150 nan 8.180 nan 0.000 0.771 125 R N -0.544 120.057 120.500 0.169 0.000 2.075 125 R HA -0.136 4.198 4.340 -0.010 0.000 0.232 125 R C 1.777 177.948 176.300 -0.215 0.000 1.126 125 R CA 1.793 57.829 56.100 -0.106 0.000 0.963 125 R CB -0.415 29.686 30.300 -0.331 0.000 0.858 125 R HN 0.507 nan 8.270 nan 0.000 0.435 126 H N -1.216 117.922 119.070 0.113 0.000 2.695 126 H HA 0.151 4.701 4.556 -0.010 0.000 0.267 126 H C 0.686 176.111 175.328 0.161 0.000 0.973 126 H CA 0.445 56.586 56.048 0.156 0.000 1.223 126 H CB 0.245 30.070 29.762 0.105 0.000 1.442 126 H HN 0.149 nan 8.280 nan 0.000 0.478 127 S N 1.262 116.970 115.700 0.013 0.000 2.585 127 S HA 0.333 4.797 4.470 -0.010 0.000 0.273 127 S C -0.212 174.279 174.600 -0.181 0.000 1.339 127 S CA -0.420 57.471 58.200 -0.514 0.000 1.028 127 S CB 0.670 63.055 63.200 -1.358 0.000 0.906 127 S HN 0.478 nan 8.310 nan 0.000 0.528 128 Y N -2.322 117.836 120.300 -0.237 0.000 2.895 128 Y HA 0.755 5.299 4.550 -0.010 0.000 0.339 128 Y C -0.873 175.001 175.900 -0.044 0.000 1.363 128 Y CA -1.213 56.754 58.100 -0.223 0.000 1.085 128 Y CB 0.835 39.116 38.460 -0.299 0.000 1.500 128 Y HN 0.629 nan 8.280 nan 0.000 0.442 129 T N 0.896 115.523 114.554 0.122 0.000 2.933 129 T HA 0.876 5.220 4.350 -0.010 0.000 0.305 129 T C -1.252 173.515 174.700 0.111 0.000 1.092 129 T CA 0.045 62.208 62.100 0.105 0.000 1.008 129 T CB 1.433 70.302 68.868 0.002 0.000 1.102 129 T HN 1.241 nan 8.240 nan 0.000 0.469 130 A N 1.878 124.744 122.820 0.076 0.000 2.581 130 A HA 0.864 5.178 4.320 -0.010 0.000 0.290 130 A C -0.869 176.460 177.584 -0.425 0.000 1.119 130 A CA -0.729 51.194 52.037 -0.190 0.000 0.670 130 A CB 1.392 20.260 19.000 -0.220 0.000 1.280 130 A HN 0.653 nan 8.150 nan 0.000 0.425 131 S N -0.781 114.440 115.700 -0.797 0.000 2.651 131 S HA 0.785 5.249 4.470 -0.010 0.000 0.291 131 S C -1.574 172.367 174.600 -1.098 0.000 1.141 131 S CA -0.052 57.596 58.200 -0.920 0.000 1.027 131 S CB 0.656 63.054 63.200 -1.337 0.000 1.043 131 S HN 0.447 nan 8.310 nan 0.000 0.530 132 Y N 0.276 120.397 120.300 -0.299 0.000 2.396 132 Y HA 0.382 4.926 4.550 -0.010 0.000 0.332 132 Y C -0.772 175.177 175.900 0.081 0.000 1.034 132 Y CA -0.973 57.093 58.100 -0.057 0.000 1.057 132 Y CB 1.655 40.011 38.460 -0.173 0.000 1.220 132 Y HN 0.480 nan 8.280 nan 0.000 0.440 133 D N 3.165 123.798 120.400 0.389 0.000 2.350 133 D HA 0.543 5.177 4.640 -0.010 0.000 0.245 133 D C -0.880 175.580 176.300 0.267 0.000 1.036 133 D CA -0.410 53.773 54.000 0.305 0.000 0.848 133 D CB 2.332 43.372 40.800 0.400 0.000 1.307 133 D HN 0.293 nan 8.370 nan 0.000 0.469 134 I N 1.986 122.696 120.570 0.232 0.000 2.359 134 I HA 0.270 4.434 4.170 -0.010 0.000 0.294 134 I C -0.544 175.812 176.117 0.398 0.000 0.987 134 I CA -0.858 60.621 61.300 0.297 0.000 1.225 134 I CB 0.852 38.974 38.000 0.203 0.000 1.366 134 I HN 0.224 nan 8.210 nan 0.000 0.466 135 Y N 4.785 125.286 120.300 0.334 0.000 2.409 135 Y HA 0.532 5.076 4.550 -0.010 0.000 0.339 135 Y C -0.670 175.430 175.900 0.333 0.000 1.033 135 Y CA -0.818 57.479 58.100 0.329 0.000 1.094 135 Y CB 1.381 40.068 38.460 0.377 0.000 1.210 135 Y HN 0.580 nan 8.280 nan 0.000 0.456 136 D N 4.374 124.554 120.400 -0.366 0.000 2.177 136 D HA 0.097 4.732 4.640 -0.010 0.000 0.247 136 D C 0.385 176.294 176.300 -0.652 0.000 1.063 136 D CA -0.261 53.485 54.000 -0.423 0.000 0.867 136 D CB 1.855 42.479 40.800 -0.294 0.000 1.168 136 D HN 0.721 nan 8.370 nan 0.000 0.445 137 L N 4.620 125.578 121.223 -0.441 0.000 2.109 137 L HA -0.027 4.307 4.340 -0.010 0.000 0.207 137 L C 1.248 177.929 176.870 -0.315 0.000 1.086 137 L CA 1.560 56.210 54.840 -0.318 0.000 0.760 137 L CB -0.554 41.351 42.059 -0.257 0.000 0.910 137 L HN 0.329 nan 8.230 nan 0.000 0.437 138 N N 0.414 118.912 118.700 -0.336 0.000 2.022 138 N HA -0.163 4.571 4.740 -0.010 0.000 0.195 138 N C 1.689 177.070 175.510 -0.214 0.000 1.063 138 N CA 1.911 54.814 53.050 -0.246 0.000 0.851 138 N CB -0.370 37.976 38.487 -0.234 0.000 1.050 138 N HN 0.285 nan 8.380 nan 0.000 0.425 139 K N 0.220 120.485 120.400 -0.225 0.000 2.209 139 K HA 0.032 4.346 4.320 -0.010 0.000 0.204 139 K C -0.016 176.465 176.600 -0.199 0.000 1.048 139 K CA 0.491 56.673 56.287 -0.174 0.000 0.940 139 K CB 0.012 32.427 32.500 -0.140 0.000 0.729 139 K HN 0.131 nan 8.250 nan 0.000 0.451 140 R N 0.512 120.814 120.500 -0.330 0.000 3.531 140 R HA -0.174 4.160 4.340 -0.010 0.000 0.280 140 R C -0.863 175.296 176.300 -0.235 0.000 1.130 140 R CA 0.666 56.576 56.100 -0.318 0.000 0.757 140 R CB -1.724 28.514 30.300 -0.104 0.000 1.218 140 R HN 0.358 nan 8.270 nan 0.000 0.454 141 Q N -0.774 118.787 119.800 -0.399 0.000 2.553 141 Q HA 0.500 4.835 4.340 -0.010 0.000 0.293 141 Q C -0.378 175.643 176.000 0.035 0.000 1.038 141 Q CA -1.226 54.550 55.803 -0.044 0.000 0.777 141 Q CB 1.340 30.071 28.738 -0.012 0.000 1.487 141 Q HN -0.147 nan 8.270 nan 0.000 0.426 142 L N 0.658 122.029 121.223 0.247 0.000 2.505 142 L HA 0.442 4.776 4.340 -0.010 0.000 0.226 142 L C 0.041 177.002 176.870 0.152 0.000 1.211 142 L CA 0.166 55.173 54.840 0.279 0.000 0.828 142 L CB 0.045 42.270 42.059 0.277 0.000 1.331 142 L HN 0.584 nan 8.230 nan 0.000 0.513 143 I N -0.568 120.089 120.570 0.145 0.000 2.465 143 I HA 0.195 4.359 4.170 -0.010 0.000 0.291 143 I C 0.849 176.999 176.117 0.055 0.000 1.014 143 I CA -0.252 61.101 61.300 0.088 0.000 1.093 143 I CB 2.011 40.062 38.000 0.084 0.000 1.267 143 I HN 0.580 nan 8.210 nan 0.000 0.431 144 T N 2.621 117.194 114.554 0.032 0.000 2.852 144 T HA -0.019 4.325 4.350 -0.010 0.000 0.256 144 T C 0.632 175.328 174.700 -0.007 0.000 1.038 144 T CA 0.692 62.800 62.100 0.012 0.000 1.141 144 T CB -0.052 68.820 68.868 0.007 0.000 0.869 144 T HN 0.685 nan 8.240 nan 0.000 0.439 145 E N 1.254 121.446 120.200 -0.012 0.000 2.232 145 E HA 0.209 4.553 4.350 -0.010 0.000 0.264 145 E C -0.545 176.025 176.600 -0.051 0.000 0.973 145 E CA -0.466 55.915 56.400 -0.032 0.000 0.849 145 E CB 1.042 30.726 29.700 -0.026 0.000 1.198 145 E HN 0.083 nan 8.360 nan 0.000 0.407 146 E N 0.074 120.230 120.200 -0.074 0.000 2.660 146 E HA -0.230 4.114 4.350 -0.010 0.000 0.260 146 E C -0.456 176.063 176.600 -0.134 0.000 1.122 146 E CA 0.771 57.109 56.400 -0.103 0.000 0.755 146 E CB -1.606 28.043 29.700 -0.084 0.000 1.345 146 E HN 0.554 nan 8.360 nan 0.000 0.421 147 R N 0.006 120.427 120.500 -0.132 0.000 2.698 147 R HA 0.190 4.524 4.340 -0.010 0.000 0.266 147 R C 1.108 177.245 176.300 -0.271 0.000 1.026 147 R CA -0.067 55.943 56.100 -0.150 0.000 1.102 147 R CB 0.296 30.537 30.300 -0.099 0.000 0.978 147 R HN 0.109 nan 8.270 nan 0.000 0.436 148 I N 5.194 125.570 120.570 -0.323 0.000 2.668 148 I HA -0.022 4.142 4.170 -0.010 0.000 0.285 148 I C -1.461 174.370 176.117 -0.476 0.000 1.168 148 I CA -1.259 59.702 61.300 -0.565 0.000 1.424 148 I CB 0.189 37.866 38.000 -0.538 0.000 1.377 148 I HN 0.347 nan 8.210 nan 0.000 0.560 149 P HA 0.016 nan 4.420 nan 0.000 0.269 149 P C -0.631 176.472 177.300 -0.328 0.000 1.209 149 P CA -0.223 62.510 63.100 -0.611 0.000 0.776 149 P CB 0.395 31.326 31.700 -1.282 0.000 0.876 150 N N 1.784 120.366 118.700 -0.196 0.000 2.307 150 N HA -0.082 4.652 4.740 -0.010 0.000 0.230 150 N C 0.519 176.084 175.510 0.092 0.000 1.297 150 N CA 0.465 53.459 53.050 -0.092 0.000 0.884 150 N CB -0.631 37.817 38.487 -0.064 0.000 1.115 150 N HN 0.451 nan 8.380 nan 0.000 0.436 151 N N -1.829 116.911 118.700 0.065 0.000 2.725 151 N HA -0.170 4.564 4.740 -0.010 0.000 0.249 151 N C -1.001 174.676 175.510 0.279 0.000 1.103 151 N CA 0.503 53.640 53.050 0.145 0.000 0.707 151 N CB -1.123 37.458 38.487 0.156 0.000 1.043 151 N HN 0.441 nan 8.380 nan 0.000 0.553 152 T N 0.372 115.084 114.554 0.263 0.000 2.851 152 T HA 0.067 4.411 4.350 -0.010 0.000 0.298 152 T C 1.414 176.295 174.700 0.301 0.000 0.977 152 T CA -0.001 62.302 62.100 0.337 0.000 1.126 152 T CB 1.278 70.300 68.868 0.257 0.000 0.916 152 T HN 0.178 nan 8.240 nan 0.000 0.529 153 Q N 1.809 121.777 119.800 0.279 0.000 2.269 153 Q HA 0.141 4.476 4.340 -0.010 0.000 0.201 153 Q C 0.103 176.279 176.000 0.294 0.000 0.946 153 Q CA 0.443 56.412 55.803 0.278 0.000 0.877 153 Q CB 0.708 29.565 28.738 0.200 0.000 0.963 153 Q HN 0.706 nan 8.270 nan 0.000 0.472 154 W N 0.217 121.497 121.300 -0.034 0.000 3.700 154 W HA 0.380 5.034 4.660 -0.010 0.000 0.279 154 W C -2.143 174.291 176.519 -0.141 0.000 1.270 154 W CA -0.846 56.425 57.345 -0.124 0.000 1.216 154 W CB 1.053 30.378 29.460 -0.224 0.000 1.292 154 W HN -0.272 nan 8.180 nan 0.000 0.557 155 V N 1.642 120.890 119.914 -1.111 0.000 2.735 155 V HA 0.901 5.015 4.120 -0.010 0.000 0.310 155 V C -0.827 174.579 176.094 -1.148 0.000 1.061 155 V CA -0.648 61.066 62.300 -0.977 0.000 0.913 155 V CB 1.271 32.426 31.823 -1.114 0.000 1.005 155 V HN 0.552 nan 8.190 nan 0.000 0.428 156 T N 3.106 117.321 114.554 -0.564 0.000 2.993 156 T HA 0.561 4.905 4.350 -0.010 0.000 0.312 156 T C -1.328 173.366 174.700 -0.009 0.000 1.115 156 T CA -0.305 61.676 62.100 -0.198 0.000 1.027 156 T CB 1.056 70.080 68.868 0.259 0.000 1.116 156 T HN 0.749 nan 8.240 nan 0.000 0.464 157 W N 2.899 124.223 121.300 0.041 0.000 2.183 157 W HA 0.491 5.145 4.660 -0.010 0.000 0.348 157 W C 1.153 177.414 176.519 -0.430 0.000 1.257 157 W CA -0.710 56.580 57.345 -0.092 0.000 1.324 157 W CB 0.692 30.101 29.460 -0.085 0.000 1.144 157 W HN 0.788 nan 8.180 nan 0.000 0.622 158 S N 0.968 116.281 115.700 -0.644 0.000 2.593 158 S HA 0.140 4.604 4.470 -0.010 0.000 0.269 158 S C -1.894 172.402 174.600 -0.506 0.000 1.334 158 S CA -0.972 56.373 58.200 -1.424 0.000 1.015 158 S CB 1.004 63.404 63.200 -1.334 0.000 0.912 158 S HN 0.258 nan 8.310 nan 0.000 0.541 159 P HA 0.032 nan 4.420 nan 0.000 0.220 159 P C 0.246 177.489 177.300 -0.095 0.000 1.148 159 P CA 0.705 63.745 63.100 -0.099 0.000 0.803 159 P CB -0.198 31.492 31.700 -0.016 0.000 0.782 160 V N -6.433 113.388 119.914 -0.155 0.000 3.001 160 V HA 0.891 5.005 4.120 -0.010 0.000 0.314 160 V C 0.606 176.601 176.094 -0.165 0.000 1.099 160 V CA -0.365 61.863 62.300 -0.121 0.000 0.989 160 V CB 0.923 32.697 31.823 -0.081 0.000 1.040 160 V HN 0.401 nan 8.190 nan 0.000 0.434 161 G N 2.072 110.800 108.800 -0.120 0.000 2.527 161 G HA2 -0.198 3.756 3.960 -0.010 0.000 0.268 161 G HA3 -0.198 3.756 3.960 -0.010 0.000 0.268 161 G C 0.296 175.136 174.900 -0.100 0.000 1.175 161 G CA 0.936 45.957 45.100 -0.133 0.000 0.962 161 G HN 2.527 nan 8.290 nan 0.000 0.560 162 H N -0.545 118.494 119.070 -0.052 0.000 3.192 162 H HA 0.351 4.901 4.556 -0.010 0.000 0.247 162 H C 0.342 175.806 175.328 0.227 0.000 1.203 162 H CA 0.016 56.062 56.048 -0.004 0.000 0.973 162 H CB -0.319 29.468 29.762 0.041 0.000 2.500 162 H HN 0.537 nan 8.280 nan 0.000 0.678 163 K N 1.509 121.899 120.400 -0.017 0.000 2.414 163 K HA 0.242 4.557 4.320 -0.010 0.000 0.272 163 K C -0.728 175.986 176.600 0.190 0.000 0.993 163 K CA -0.232 56.072 56.287 0.029 0.000 0.964 163 K CB 1.074 33.467 32.500 -0.179 0.000 0.925 163 K HN 0.048 nan 8.250 nan 0.000 0.487 164 L N 1.759 123.117 121.223 0.226 0.000 2.409 164 L HA 0.503 4.837 4.340 -0.010 0.000 0.272 164 L C -1.466 175.560 176.870 0.259 0.000 0.980 164 L CA -0.194 54.714 54.840 0.113 0.000 0.826 164 L CB 1.713 43.678 42.059 -0.157 0.000 1.268 164 L HN 0.737 nan 8.230 nan 0.000 0.407 165 A N 4.402 127.407 122.820 0.308 0.000 2.355 165 A HA 0.848 5.162 4.320 -0.010 0.000 0.317 165 A C -1.733 175.883 177.584 0.054 0.000 1.094 165 A CA -0.380 51.746 52.037 0.148 0.000 0.764 165 A CB 1.067 20.102 19.000 0.057 0.000 1.230 165 A HN 0.839 nan 8.150 nan 0.000 0.448 166 Y N -0.659 119.600 120.300 -0.069 0.000 2.571 166 Y HA 0.720 5.264 4.550 -0.010 0.000 0.341 166 Y C -1.347 174.570 175.900 0.029 0.000 1.076 166 Y CA -1.507 56.536 58.100 -0.095 0.000 1.029 166 Y CB 0.946 39.289 38.460 -0.195 0.000 1.308 166 Y HN 0.421 nan 8.280 nan 0.000 0.461 167 V N 2.501 122.550 119.914 0.226 0.000 2.459 167 V HA 0.427 4.541 4.120 -0.010 0.000 0.295 167 V C -1.351 174.983 176.094 0.400 0.000 1.029 167 V CA -0.586 61.821 62.300 0.177 0.000 0.874 167 V CB 1.402 33.237 31.823 0.020 0.000 0.985 167 V HN 0.891 nan 8.190 nan 0.000 0.438 168 W N 4.401 125.819 121.300 0.197 0.000 3.274 168 W HA 0.448 5.102 4.660 -0.010 0.000 0.327 168 W C 0.219 176.808 176.519 0.117 0.000 1.172 168 W CA -0.813 56.634 57.345 0.170 0.000 1.217 168 W CB 1.238 30.806 29.460 0.180 0.000 1.376 168 W HN 0.770 nan 8.180 nan 0.000 0.507 169 N N 5.568 123.912 118.700 -0.593 0.000 2.707 169 N HA -0.358 4.376 4.740 -0.010 0.000 0.253 169 N C 0.134 175.472 175.510 -0.287 0.000 0.998 169 N CA 1.100 53.791 53.050 -0.598 0.000 0.751 169 N CB -0.925 36.965 38.487 -0.995 0.000 0.920 169 N HN 0.772 nan 8.380 nan 0.000 0.539 170 N N -1.973 116.627 118.700 -0.168 0.000 2.828 170 N HA -0.175 4.559 4.740 -0.010 0.000 0.248 170 N C -1.251 174.175 175.510 -0.140 0.000 1.044 170 N CA 1.188 54.156 53.050 -0.136 0.000 0.851 170 N CB -0.366 37.999 38.487 -0.204 0.000 1.136 170 N HN 0.487 nan 8.380 nan 0.000 0.572 171 D N 0.526 120.852 120.400 -0.125 0.000 2.433 171 D HA 0.496 5.130 4.640 -0.010 0.000 0.236 171 D C 0.300 176.411 176.300 -0.315 0.000 1.026 171 D CA -0.381 53.461 54.000 -0.262 0.000 0.884 171 D CB 1.688 42.275 40.800 -0.355 0.000 1.384 171 D HN 0.030 nan 8.370 nan 0.000 0.477 172 I N 1.491 121.718 120.570 -0.573 0.000 2.353 172 I HA 0.270 4.435 4.170 -0.010 0.000 0.293 172 I C -0.693 174.920 176.117 -0.839 0.000 0.992 172 I CA -0.528 60.412 61.300 -0.599 0.000 1.268 172 I CB 0.526 38.111 38.000 -0.692 0.000 1.387 172 I HN 0.143 nan 8.210 nan 0.000 0.478 173 Y N 4.222 124.129 120.300 -0.655 0.000 2.462 173 Y HA 0.615 5.159 4.550 -0.010 0.000 0.346 173 Y C -0.331 175.223 175.900 -0.577 0.000 0.976 173 Y CA -0.955 56.719 58.100 -0.711 0.000 1.044 173 Y CB 2.236 40.012 38.460 -1.140 0.000 1.230 173 Y HN 0.148 nan 8.280 nan 0.000 0.455 174 V N 3.456 123.317 119.914 -0.088 0.000 2.531 174 V HA 0.407 4.521 4.120 -0.010 0.000 0.301 174 V C -0.722 175.504 176.094 0.221 0.000 1.034 174 V CA -1.386 60.959 62.300 0.074 0.000 0.865 174 V CB 1.824 33.704 31.823 0.095 0.000 0.995 174 V HN 0.632 nan 8.190 nan 0.000 0.424 175 K N 4.471 125.000 120.400 0.215 0.000 2.213 175 K HA 0.497 4.811 4.320 -0.010 0.000 0.270 175 K C 0.239 176.971 176.600 0.220 0.000 1.002 175 K CA -0.747 55.659 56.287 0.199 0.000 0.868 175 K CB 1.952 34.531 32.500 0.132 0.000 1.093 175 K HN 0.422 nan 8.250 nan 0.000 0.454 176 I N 1.062 121.776 120.570 0.239 0.000 2.584 176 I HA -0.015 4.149 4.170 -0.010 0.000 0.255 176 I C 0.408 176.613 176.117 0.147 0.000 1.145 176 I CA 1.294 62.703 61.300 0.181 0.000 1.462 176 I CB -0.228 37.892 38.000 0.200 0.000 1.102 176 I HN 0.546 nan 8.210 nan 0.000 0.433 177 E N 0.019 120.311 120.200 0.154 0.000 2.293 177 E HA 0.287 4.631 4.350 -0.010 0.000 0.270 177 E C -1.933 174.692 176.600 0.041 0.000 0.879 177 E CA -1.865 54.628 56.400 0.154 0.000 0.756 177 E CB 2.130 31.920 29.700 0.151 0.000 1.208 177 E HN -0.172 nan 8.360 nan 0.000 0.428 178 P HA -0.169 nan 4.420 nan 0.000 0.218 178 P C 0.775 178.025 177.300 -0.083 0.000 1.148 178 P CA 1.440 64.437 63.100 -0.172 0.000 0.822 178 P CB 0.327 31.727 31.700 -0.500 0.000 0.784 179 N N -0.962 117.712 118.700 -0.042 0.000 2.376 179 N HA -0.043 4.691 4.740 -0.010 0.000 0.177 179 N C 0.590 176.092 175.510 -0.014 0.000 1.024 179 N CA 0.464 53.508 53.050 -0.011 0.000 0.893 179 N CB -1.236 37.262 38.487 0.020 0.000 0.980 179 N HN 0.104 nan 8.380 nan 0.000 0.439 180 L N 0.625 121.846 121.223 -0.004 0.000 2.464 180 L HA 0.310 4.644 4.340 -0.010 0.000 0.264 180 L C -2.004 174.830 176.870 -0.060 0.000 1.199 180 L CA -1.940 52.889 54.840 -0.018 0.000 0.818 180 L CB 0.119 42.185 42.059 0.012 0.000 1.102 180 L HN -0.032 nan 8.230 nan 0.000 0.473 181 P HA 0.049 nan 4.420 nan 0.000 0.269 181 P C -0.944 176.224 177.300 -0.221 0.000 1.215 181 P CA -0.358 62.653 63.100 -0.148 0.000 0.780 181 P CB 0.638 32.241 31.700 -0.162 0.000 0.898 182 S N 0.922 116.532 115.700 -0.149 0.000 2.616 182 S HA 0.468 4.932 4.470 -0.010 0.000 0.277 182 S C -0.737 173.777 174.600 -0.144 0.000 1.234 182 S CA -0.566 57.581 58.200 -0.088 0.000 1.028 182 S CB 0.173 63.428 63.200 0.091 0.000 0.988 182 S HN 0.241 nan 8.310 nan 0.000 0.522 183 Y N 0.508 120.840 120.300 0.053 0.000 2.308 183 Y HA 0.446 4.990 4.550 -0.010 0.000 0.329 183 Y C 0.937 176.791 175.900 -0.076 0.000 1.111 183 Y CA -0.763 57.351 58.100 0.023 0.000 1.179 183 Y CB 0.858 39.325 38.460 0.012 0.000 1.201 183 Y HN 0.656 nan 8.280 nan 0.000 0.483 184 R N 3.040 123.532 120.500 -0.014 0.000 2.205 184 R HA 0.310 4.644 4.340 -0.010 0.000 0.342 184 R C -0.114 175.943 176.300 -0.404 0.000 1.058 184 R CA -0.120 55.672 56.100 -0.513 0.000 0.904 184 R CB 0.122 29.931 30.300 -0.818 0.000 1.089 184 R HN 0.818 nan 8.270 nan 0.000 0.471 185 I N 2.086 122.354 120.570 -0.502 0.000 2.333 185 I HA -0.091 4.073 4.170 -0.010 0.000 0.246 185 I C 0.929 176.852 176.117 -0.324 0.000 1.106 185 I CA 1.162 62.261 61.300 -0.335 0.000 1.411 185 I CB 0.009 37.757 38.000 -0.420 0.000 1.082 185 I HN 0.643 nan 8.210 nan 0.000 0.420 186 T N -3.857 110.363 114.554 -0.557 0.000 2.876 186 T HA 0.358 4.702 4.350 -0.010 0.000 0.289 186 T C -0.877 173.530 174.700 -0.489 0.000 1.014 186 T CA -0.597 61.272 62.100 -0.385 0.000 0.986 186 T CB 1.189 69.817 68.868 -0.400 0.000 1.021 186 T HN 0.165 nan 8.240 nan 0.000 0.458 187 W N 1.340 122.529 121.300 -0.185 0.000 2.506 187 W HA 0.309 4.963 4.660 -0.010 0.000 0.394 187 W C 1.459 177.919 176.519 -0.098 0.000 0.920 187 W CA -0.446 56.826 57.345 -0.122 0.000 2.221 187 W CB 0.260 29.669 29.460 -0.084 0.000 1.197 187 W HN 0.975 nan 8.180 nan 0.000 0.627 188 T N -3.969 110.601 114.554 0.028 0.000 2.959 188 T HA 0.263 4.607 4.350 -0.010 0.000 0.254 188 T C 1.294 175.973 174.700 -0.034 0.000 1.003 188 T CA 0.166 62.272 62.100 0.011 0.000 0.950 188 T CB -0.094 68.777 68.868 0.005 0.000 1.090 188 T HN 0.012 nan 8.240 nan 0.000 0.503 189 G N 1.617 110.366 108.800 -0.086 0.000 2.178 189 G HA2 0.316 4.270 3.960 -0.010 0.000 0.244 189 G HA3 0.316 4.270 3.960 -0.010 0.000 0.244 189 G C -0.586 174.238 174.900 -0.127 0.000 1.213 189 G CA -0.104 44.923 45.100 -0.123 0.000 0.912 189 G HN 0.528 nan 8.290 nan 0.000 0.474 190 K N 2.141 122.447 120.400 -0.156 0.000 2.565 190 K HA 0.154 4.469 4.320 -0.010 0.000 0.249 190 K C -0.105 176.368 176.600 -0.211 0.000 0.958 190 K CA -0.667 55.533 56.287 -0.146 0.000 0.806 190 K CB 1.674 34.123 32.500 -0.085 0.000 1.194 190 K HN 0.633 nan 8.250 nan 0.000 0.434 191 E N 2.929 123.018 120.200 -0.186 0.000 2.652 191 E HA -0.163 4.181 4.350 -0.010 0.000 0.255 191 E C -0.595 175.916 176.600 -0.148 0.000 0.952 191 E CA 1.043 57.335 56.400 -0.180 0.000 0.947 191 E CB 0.232 29.859 29.700 -0.121 0.000 0.912 191 E HN 0.611 nan 8.360 nan 0.000 0.489 192 D N 2.498 122.793 120.400 -0.175 0.000 3.059 192 D HA -0.245 4.389 4.640 -0.010 0.000 0.220 192 D C 0.438 176.758 176.300 0.033 0.000 1.169 192 D CA 1.396 55.407 54.000 0.018 0.000 0.902 192 D CB -0.935 39.925 40.800 0.101 0.000 1.116 192 D HN 0.491 nan 8.370 nan 0.000 0.417 193 I N -1.159 119.323 120.570 -0.147 0.000 3.685 193 I HA 0.082 4.246 4.170 -0.010 0.000 0.258 193 I C 0.397 176.540 176.117 0.043 0.000 1.135 193 I CA -0.045 61.261 61.300 0.012 0.000 1.436 193 I CB 0.648 38.649 38.000 0.003 0.000 1.670 193 I HN -0.168 nan 8.210 nan 0.000 0.424 194 I N 1.377 121.882 120.570 -0.108 0.000 2.406 194 I HA 0.273 4.437 4.170 -0.010 0.000 0.290 194 I C -1.474 174.573 176.117 -0.118 0.000 0.999 194 I CA -0.450 60.858 61.300 0.014 0.000 1.124 194 I CB 0.926 38.935 38.000 0.015 0.000 1.289 194 I HN 0.069 nan 8.210 nan 0.000 0.441 195 Y N 4.611 125.002 120.300 0.152 0.000 2.388 195 Y HA 0.372 4.917 4.550 -0.010 0.000 0.328 195 Y C 0.365 176.332 175.900 0.112 0.000 0.963 195 Y CA -0.749 57.443 58.100 0.153 0.000 1.240 195 Y CB 0.941 39.572 38.460 0.285 0.000 1.118 195 Y HN 0.410 nan 8.280 nan 0.000 0.484 196 N N 2.475 121.233 118.700 0.097 0.000 2.457 196 N HA 0.322 5.056 4.740 -0.010 0.000 0.250 196 N C 0.889 176.339 175.510 -0.101 0.000 0.982 196 N CA 0.494 53.538 53.050 -0.011 0.000 0.941 196 N CB 1.759 40.143 38.487 -0.172 0.000 1.120 196 N HN 1.000 nan 8.380 nan 0.000 0.505 197 G N 1.658 110.427 108.800 -0.052 0.000 2.179 197 G HA2 -0.260 3.694 3.960 -0.010 0.000 0.260 197 G HA3 -0.260 3.694 3.960 -0.010 0.000 0.260 197 G C 0.101 174.854 174.900 -0.245 0.000 0.977 197 G CA 0.670 45.664 45.100 -0.177 0.000 0.641 197 G HN 0.661 nan 8.290 nan 0.000 0.533 198 I N -1.745 118.750 120.570 -0.125 0.000 2.828 198 I HA 0.819 4.983 4.170 -0.010 0.000 0.302 198 I C 0.307 176.439 176.117 0.024 0.000 1.101 198 I CA -0.681 60.445 61.300 -0.290 0.000 1.031 198 I CB 2.060 39.701 38.000 -0.599 0.000 1.231 198 I HN 0.181 nan 8.210 nan 0.000 0.427 199 T N -0.270 114.207 114.554 -0.128 0.000 2.913 199 T HA 0.369 4.713 4.350 -0.010 0.000 0.287 199 T C -0.094 174.386 174.700 -0.366 0.000 1.008 199 T CA -0.640 61.233 62.100 -0.378 0.000 1.067 199 T CB 1.177 69.921 68.868 -0.206 0.000 0.996 199 T HN 0.783 nan 8.240 nan 0.000 0.513 200 D N 0.805 120.728 120.400 -0.796 0.000 2.398 200 D HA 0.008 4.642 4.640 -0.010 0.000 0.264 200 D C 1.027 177.256 176.300 -0.119 0.000 1.263 200 D CA -1.010 52.564 54.000 -0.710 0.000 1.037 200 D CB 0.002 40.335 40.800 -0.777 0.000 1.101 200 D HN 0.726 nan 8.370 nan 0.000 0.551 201 W N -0.145 121.098 121.300 -0.096 0.000 2.333 201 W HA -0.196 4.458 4.660 -0.010 0.000 0.316 201 W C 2.180 178.596 176.519 -0.173 0.000 1.215 201 W CA 2.162 59.450 57.345 -0.095 0.000 1.278 201 W CB -0.407 28.946 29.460 -0.178 0.000 1.154 201 W HN 0.172 nan 8.180 nan 0.000 0.486 202 V N -0.132 119.896 119.914 0.190 0.000 2.453 202 V HA -0.272 3.843 4.120 -0.010 0.000 0.247 202 V C 1.807 177.768 176.094 -0.221 0.000 1.048 202 V CA 1.845 64.157 62.300 0.021 0.000 1.049 202 V CB -0.706 31.110 31.823 -0.010 0.000 0.672 202 V HN 0.289 nan 8.190 nan 0.000 0.457 203 Y N 0.608 120.767 120.300 -0.235 0.000 2.373 203 Y HA -0.138 4.406 4.550 -0.010 0.000 0.293 203 Y C 2.519 178.333 175.900 -0.144 0.000 1.129 203 Y CA 1.911 59.882 58.100 -0.216 0.000 1.226 203 Y CB -0.021 38.216 38.460 -0.371 0.000 1.000 203 Y HN 0.405 nan 8.280 nan 0.000 0.549 204 E N 0.384 120.538 120.200 -0.077 0.000 2.028 204 E HA -0.268 4.076 4.350 -0.010 0.000 0.191 204 E C 1.996 178.526 176.600 -0.117 0.000 0.988 204 E CA 1.499 57.860 56.400 -0.066 0.000 0.799 204 E CB 0.029 29.684 29.700 -0.075 0.000 0.755 204 E HN 0.386 nan 8.360 nan 0.000 0.447 205 E N 0.019 119.986 120.200 -0.388 0.000 2.076 205 E HA -0.129 4.215 4.350 -0.010 0.000 0.190 205 E C 1.556 178.044 176.600 -0.187 0.000 0.979 205 E CA 1.362 57.537 56.400 -0.374 0.000 0.807 205 E CB 0.244 29.398 29.700 -0.909 0.000 0.761 205 E HN 0.207 nan 8.360 nan 0.000 0.454 206 E N -0.916 119.154 120.200 -0.218 0.000 2.465 206 E HA 0.111 4.455 4.350 -0.010 0.000 0.209 206 E C 1.651 178.119 176.600 -0.220 0.000 0.951 206 E CA 0.404 56.715 56.400 -0.148 0.000 0.997 206 E CB 1.131 30.748 29.700 -0.139 0.000 1.025 206 E HN 0.196 nan 8.360 nan 0.000 0.500 207 V N -0.605 119.125 119.914 -0.307 0.000 2.854 207 V HA 0.090 4.204 4.120 -0.010 0.000 0.236 207 V C 1.357 177.198 176.094 -0.422 0.000 1.157 207 V CA 0.699 62.724 62.300 -0.459 0.000 1.187 207 V CB -0.191 31.201 31.823 -0.718 0.000 0.949 207 V HN 0.012 nan 8.190 nan 0.000 0.488 208 F N 0.425 120.374 119.950 -0.002 0.000 2.721 208 F HA 0.339 4.861 4.527 -0.010 0.000 0.301 208 F C 1.476 177.221 175.800 -0.093 0.000 1.096 208 F CA 0.091 58.103 58.000 0.020 0.000 1.308 208 F CB -0.076 38.981 39.000 0.096 0.000 1.086 208 F HN 0.038 nan 8.300 nan 0.000 0.587 209 S N 0.819 116.501 115.700 -0.030 0.000 3.549 209 S HA 0.036 4.500 4.470 -0.010 0.000 0.366 209 S C 0.041 174.145 174.600 -0.826 0.000 1.012 209 S CA 0.450 58.488 58.200 -0.271 0.000 1.141 209 S CB -1.682 61.472 63.200 -0.076 0.000 0.910 209 S HN 0.707 nan 8.310 nan 0.000 0.471 210 A N -0.788 121.675 122.820 -0.595 0.000 2.569 210 A HA 0.625 4.939 4.320 -0.010 0.000 0.292 210 A C -0.379 177.121 177.584 -0.139 0.000 1.032 210 A CA -0.330 51.453 52.037 -0.424 0.000 0.669 210 A CB 0.153 18.993 19.000 -0.266 0.000 1.290 210 A HN 0.341 nan 8.150 nan 0.000 0.422 211 Y N 1.334 121.440 120.300 -0.323 0.000 2.347 211 Y HA 0.078 4.622 4.550 -0.010 0.000 0.294 211 Y C 1.646 177.254 175.900 -0.487 0.000 1.117 211 Y CA 1.062 58.980 58.100 -0.304 0.000 1.184 211 Y CB 0.226 38.542 38.460 -0.239 0.000 1.047 211 Y HN 0.837 nan 8.280 nan 0.000 0.546 212 S N 0.618 115.789 115.700 -0.882 0.000 2.580 212 S HA 0.515 4.979 4.470 -0.010 0.000 0.274 212 S C -0.054 174.024 174.600 -0.869 0.000 1.329 212 S CA -0.257 57.261 58.200 -1.136 0.000 1.036 212 S CB 1.655 63.734 63.200 -1.869 0.000 0.919 212 S HN 0.357 nan 8.310 nan 0.000 0.515 213 A N 3.139 125.463 122.820 -0.826 0.000 3.253 213 A HA 0.582 4.896 4.320 -0.010 0.000 0.290 213 A C -0.507 176.377 177.584 -1.167 0.000 0.950 213 A CA -0.622 50.797 52.037 -1.031 0.000 0.986 213 A CB -0.215 18.624 19.000 -0.269 0.000 1.104 213 A HN 0.800 nan 8.150 nan 0.000 0.481 214 L N 1.058 121.480 121.223 -1.336 0.000 2.404 214 L HA 0.517 4.852 4.340 -0.010 0.000 0.272 214 L C -1.258 175.179 176.870 -0.720 0.000 0.980 214 L CA -0.426 53.965 54.840 -0.749 0.000 0.836 214 L CB 1.627 43.455 42.059 -0.385 0.000 1.238 214 L HN 0.508 nan 8.230 nan 0.000 0.408 215 W N 2.684 124.028 121.300 0.074 0.000 2.554 215 W HA 0.276 4.931 4.660 -0.009 0.000 0.324 215 W C -0.895 175.849 176.519 0.375 0.000 1.018 215 W CA -1.055 56.461 57.345 0.286 0.000 1.243 215 W CB 1.531 31.211 29.460 0.367 0.000 1.345 215 W HN 0.462 nan 8.180 nan 0.000 0.441 216 W N 2.170 123.701 121.300 0.385 0.000 2.202 216 W HA 0.248 4.902 4.660 -0.010 0.000 0.332 216 W C 1.226 177.519 176.519 -0.378 0.000 1.263 216 W CA 0.138 57.545 57.345 0.103 0.000 1.223 216 W CB 0.833 30.324 29.460 0.050 0.000 1.128 216 W HN 0.202 nan 8.180 nan 0.000 0.573 217 S N 2.283 117.623 115.700 -0.601 0.000 2.584 217 S HA 0.143 4.607 4.470 -0.010 0.000 0.270 217 S C -1.757 172.572 174.600 -0.451 0.000 1.346 217 S CA -0.937 56.415 58.200 -1.414 0.000 1.018 217 S CB 0.969 63.480 63.200 -1.148 0.000 0.899 217 S HN 0.277 nan 8.310 nan 0.000 0.542 218 P HA -0.185 nan 4.420 nan 0.000 0.215 218 P C 0.908 178.174 177.300 -0.055 0.000 1.163 218 P CA 1.831 64.897 63.100 -0.057 0.000 0.894 218 P CB -0.267 31.446 31.700 0.021 0.000 0.791 219 N N -1.787 116.869 118.700 -0.073 0.000 2.314 219 N HA 0.120 4.854 4.740 -0.010 0.000 0.200 219 N C 1.060 176.506 175.510 -0.107 0.000 1.135 219 N CA 0.567 53.573 53.050 -0.073 0.000 0.835 219 N CB -0.940 37.517 38.487 -0.050 0.000 0.989 219 N HN 0.203 nan 8.380 nan 0.000 0.478 220 G N -1.169 107.576 108.800 -0.093 0.000 2.162 220 G HA2 -0.352 3.602 3.960 -0.010 0.000 0.260 220 G HA3 -0.352 3.602 3.960 -0.010 0.000 0.260 220 G C 0.978 175.918 174.900 0.067 0.000 0.976 220 G CA 0.823 45.898 45.100 -0.042 0.000 0.655 220 G HN 0.387 nan 8.290 nan 0.000 0.533 221 T N -0.109 114.394 114.554 -0.085 0.000 2.674 221 T HA 0.164 4.508 4.350 -0.010 0.000 0.265 221 T C 0.828 175.336 174.700 -0.320 0.000 1.039 221 T CA 1.391 63.320 62.100 -0.284 0.000 1.150 221 T CB -0.109 68.449 68.868 -0.518 0.000 0.864 221 T HN 0.307 nan 8.240 nan 0.000 0.427 222 F N 0.431 120.403 119.950 0.036 0.000 2.450 222 F HA 0.600 5.121 4.527 -0.010 0.000 0.332 222 F C -0.232 175.625 175.800 0.095 0.000 1.093 222 F CA -1.505 56.560 58.000 0.108 0.000 1.003 222 F CB 1.060 40.223 39.000 0.272 0.000 1.151 222 F HN -0.088 nan 8.300 nan 0.000 0.474 223 L N 3.206 124.550 121.223 0.202 0.000 2.298 223 L HA 0.795 5.129 4.340 -0.010 0.000 0.284 223 L C -0.538 176.407 176.870 0.125 0.000 1.013 223 L CA -0.521 54.263 54.840 -0.093 0.000 0.824 223 L CB 0.636 42.352 42.059 -0.572 0.000 1.221 223 L HN 0.682 nan 8.230 nan 0.000 0.418 224 A N 5.002 127.966 122.820 0.240 0.000 2.312 224 A HA 0.792 5.106 4.320 -0.010 0.000 0.326 224 A C -1.412 176.242 177.584 0.116 0.000 1.172 224 A CA -0.334 51.742 52.037 0.065 0.000 0.821 224 A CB 0.696 19.777 19.000 0.135 0.000 1.166 224 A HN 0.829 nan 8.150 nan 0.000 0.493 225 Y N -1.447 118.645 120.300 -0.346 0.000 2.638 225 Y HA 0.790 5.335 4.550 -0.010 0.000 0.335 225 Y C -0.337 175.435 175.900 -0.215 0.000 1.155 225 Y CA -0.952 57.041 58.100 -0.178 0.000 1.046 225 Y CB 0.966 39.289 38.460 -0.228 0.000 1.303 225 Y HN 0.925 nan 8.280 nan 0.000 0.460 226 A N 1.761 124.646 122.820 0.109 0.000 2.337 226 A HA 0.672 4.986 4.320 -0.010 0.000 0.331 226 A C -1.259 176.231 177.584 -0.156 0.000 1.137 226 A CA -0.850 51.127 52.037 -0.099 0.000 0.807 226 A CB 1.721 20.604 19.000 -0.194 0.000 1.250 226 A HN 0.834 nan 8.150 nan 0.000 0.468 227 Q N 1.187 120.841 119.800 -0.244 0.000 2.330 227 Q HA 0.621 4.956 4.340 -0.010 0.000 0.269 227 Q C -2.075 173.734 176.000 -0.318 0.000 1.022 227 Q CA -0.377 55.376 55.803 -0.084 0.000 0.796 227 Q CB 0.953 29.842 28.738 0.253 0.000 1.271 227 Q HN 0.561 nan 8.270 nan 0.000 0.450 228 F N 2.548 122.613 119.950 0.193 0.000 2.436 228 F HA 0.397 4.918 4.527 -0.010 0.000 0.340 228 F C 0.376 176.346 175.800 0.283 0.000 1.113 228 F CA -0.902 57.198 58.000 0.166 0.000 1.022 228 F CB 1.390 40.404 39.000 0.024 0.000 1.128 228 F HN 0.486 nan 8.300 nan 0.000 0.466 229 N N 2.254 121.177 118.700 0.373 0.000 2.476 229 N HA 0.194 4.928 4.740 -0.010 0.000 0.257 229 N C -0.797 174.890 175.510 0.295 0.000 0.970 229 N CA -0.264 52.964 53.050 0.297 0.000 0.938 229 N CB 0.994 39.598 38.487 0.194 0.000 1.144 229 N HN 0.557 nan 8.380 nan 0.000 0.500 230 D N 1.452 122.051 120.400 0.331 0.000 2.388 230 D HA 0.130 4.764 4.640 -0.010 0.000 0.221 230 D C 1.193 177.612 176.300 0.198 0.000 1.133 230 D CA 0.143 54.317 54.000 0.290 0.000 0.831 230 D CB 0.565 41.609 40.800 0.407 0.000 0.962 230 D HN 0.457 nan 8.370 nan 0.000 0.502 231 T N 0.362 115.011 114.554 0.157 0.000 2.665 231 T HA -0.186 4.159 4.350 -0.010 0.000 0.268 231 T C 1.274 176.030 174.700 0.093 0.000 1.035 231 T CA 1.241 63.406 62.100 0.109 0.000 1.151 231 T CB -0.029 68.891 68.868 0.087 0.000 0.862 231 T HN 0.310 nan 8.240 nan 0.000 0.438 232 E N 0.646 120.901 120.200 0.091 0.000 2.451 232 E HA 0.176 4.520 4.350 -0.010 0.000 0.194 232 E C -0.535 176.113 176.600 0.079 0.000 1.027 232 E CA -0.199 56.245 56.400 0.073 0.000 0.914 232 E CB 0.517 30.251 29.700 0.057 0.000 1.054 232 E HN 0.228 nan 8.360 nan 0.000 0.461 233 V N 3.642 123.618 119.914 0.104 0.000 2.455 233 V HA 0.115 4.229 4.120 -0.010 0.000 0.273 233 V C -2.012 174.140 176.094 0.098 0.000 1.045 233 V CA -1.605 60.760 62.300 0.108 0.000 0.976 233 V CB 0.301 32.208 31.823 0.140 0.000 0.993 233 V HN 0.044 nan 8.190 nan 0.000 0.475 234 P HA 0.205 nan 4.420 nan 0.000 0.269 234 P C -0.597 176.744 177.300 0.069 0.000 1.215 234 P CA -0.198 62.941 63.100 0.066 0.000 0.780 234 P CB 0.480 32.215 31.700 0.058 0.000 0.898 235 L N 2.528 123.775 121.223 0.039 0.000 2.292 235 L HA 0.368 4.702 4.340 -0.010 0.000 0.284 235 L C 0.563 177.407 176.870 -0.043 0.000 1.065 235 L CA -0.921 53.932 54.840 0.021 0.000 0.806 235 L CB 0.671 42.736 42.059 0.010 0.000 1.175 235 L HN 0.307 nan 8.230 nan 0.000 0.431 236 I N 2.949 123.460 120.570 -0.099 0.000 2.441 236 I HA 0.172 4.336 4.170 -0.010 0.000 0.287 236 I C -0.185 175.833 176.117 -0.166 0.000 1.049 236 I CA 0.358 61.497 61.300 -0.268 0.000 1.381 236 I CB 0.604 38.172 38.000 -0.721 0.000 1.409 236 I HN 0.570 nan 8.210 nan 0.000 0.523 237 E N 7.331 127.445 120.200 -0.143 0.000 2.222 237 E HA 0.519 4.863 4.350 -0.010 0.000 0.267 237 E C -1.767 174.817 176.600 -0.026 0.000 0.884 237 E CA -0.614 55.713 56.400 -0.121 0.000 0.764 237 E CB 2.105 31.742 29.700 -0.105 0.000 1.169 237 E HN 0.565 nan 8.360 nan 0.000 0.413 238 Y N -1.778 118.448 120.300 -0.124 0.000 2.609 238 Y HA 0.505 5.049 4.550 -0.010 0.000 0.336 238 Y C -0.753 175.079 175.900 -0.113 0.000 1.129 238 Y CA -1.235 56.795 58.100 -0.117 0.000 1.040 238 Y CB 0.823 39.221 38.460 -0.103 0.000 1.310 238 Y HN 0.205 nan 8.280 nan 0.000 0.460 239 S N 2.073 117.749 115.700 -0.040 0.000 2.565 239 S HA 0.417 4.881 4.470 -0.010 0.000 0.276 239 S C -1.347 173.063 174.600 -0.317 0.000 1.326 239 S CA -0.294 57.723 58.200 -0.306 0.000 1.045 239 S CB 0.122 62.989 63.200 -0.555 0.000 0.918 239 S HN 0.535 nan 8.310 nan 0.000 0.505 240 F N 2.983 122.643 119.950 -0.483 0.000 2.496 240 F HA 0.397 4.918 4.527 -0.010 0.000 0.341 240 F C -0.201 175.393 175.800 -0.343 0.000 1.134 240 F CA -0.802 57.007 58.000 -0.319 0.000 0.968 240 F CB 0.711 39.651 39.000 -0.101 0.000 1.205 240 F HN 0.682 nan 8.300 nan 0.000 0.436 241 Y N 2.745 122.846 120.300 -0.332 0.000 2.475 241 Y HA 0.069 4.613 4.550 -0.010 0.000 0.289 241 Y C 1.805 177.628 175.900 -0.128 0.000 1.121 241 Y CA 1.059 59.050 58.100 -0.182 0.000 1.257 241 Y CB -0.484 37.861 38.460 -0.191 0.000 1.026 241 Y HN 0.754 nan 8.280 nan 0.000 0.555 242 S N -0.216 115.387 115.700 -0.162 0.000 3.245 242 S HA -0.284 4.181 4.470 -0.010 0.000 0.631 242 S C -0.357 174.282 174.600 0.065 0.000 2.821 242 S CA 0.606 58.857 58.200 0.085 0.000 3.266 242 S CB -1.315 62.045 63.200 0.266 0.000 0.314 242 S HN 0.485 nan 8.310 nan 0.000 1.621 243 D N 1.384 121.844 120.400 0.100 0.000 2.357 243 D HA 0.314 4.948 4.640 -0.010 0.000 0.242 243 D C 1.319 177.649 176.300 0.049 0.000 1.153 243 D CA 0.522 54.563 54.000 0.068 0.000 0.918 243 D CB 0.337 41.180 40.800 0.071 0.000 1.181 243 D HN 0.539 nan 8.370 nan 0.000 0.435 244 E N 0.272 120.491 120.200 0.031 0.000 2.187 244 E HA -0.269 4.075 4.350 -0.010 0.000 0.199 244 E C 1.457 178.067 176.600 0.018 0.000 1.004 244 E CA 1.437 57.846 56.400 0.015 0.000 0.813 244 E CB 0.120 29.825 29.700 0.009 0.000 0.736 244 E HN 0.482 nan 8.360 nan 0.000 0.468 245 S N -0.074 115.644 115.700 0.030 0.000 2.453 245 S HA -0.060 4.404 4.470 -0.010 0.000 0.231 245 S C 1.101 175.726 174.600 0.041 0.000 1.005 245 S CA -0.012 58.207 58.200 0.032 0.000 0.949 245 S CB -0.128 63.094 63.200 0.037 0.000 0.774 245 S HN 0.226 nan 8.310 nan 0.000 0.510 246 L N 2.321 123.577 121.223 0.055 0.000 2.500 246 L HA 0.130 4.464 4.340 -0.010 0.000 0.272 246 L C 1.550 178.449 176.870 0.047 0.000 1.149 246 L CA 0.057 54.941 54.840 0.072 0.000 0.897 246 L CB 1.039 43.158 42.059 0.099 0.000 1.178 246 L HN 0.455 nan 8.230 nan 0.000 0.473 247 Q N 4.108 123.938 119.800 0.050 0.000 2.123 247 Q HA -0.039 4.295 4.340 -0.010 0.000 0.196 247 Q C -0.552 175.352 176.000 -0.160 0.000 0.958 247 Q CA 0.904 56.678 55.803 -0.049 0.000 0.841 247 Q CB 0.252 28.977 28.738 -0.021 0.000 0.915 247 Q HN 0.600 nan 8.270 nan 0.000 0.455 248 Y N 1.294 121.610 120.300 0.028 0.000 2.331 248 Y HA 0.380 4.924 4.550 -0.010 0.000 0.338 248 Y C -2.028 173.891 175.900 0.031 0.000 0.976 248 Y CA -2.800 55.316 58.100 0.025 0.000 1.137 248 Y CB 1.243 39.710 38.460 0.010 0.000 1.172 248 Y HN 0.187 nan 8.280 nan 0.000 0.478 249 P HA -0.052 nan 4.420 nan 0.000 0.266 249 P C -0.725 176.601 177.300 0.045 0.000 1.193 249 P CA -0.243 62.905 63.100 0.079 0.000 0.770 249 P CB 0.621 32.351 31.700 0.049 0.000 0.836 250 K N 1.644 122.051 120.400 0.012 0.000 2.201 250 K HA 0.263 4.578 4.320 -0.010 0.000 0.278 250 K C -0.686 175.869 176.600 -0.076 0.000 1.027 250 K CA -0.285 56.001 56.287 -0.001 0.000 0.909 250 K CB 0.384 32.912 32.500 0.046 0.000 1.062 250 K HN 0.331 nan 8.250 nan 0.000 0.465 251 T N 3.740 118.237 114.554 -0.094 0.000 2.727 251 T HA 0.164 4.509 4.350 -0.010 0.000 0.298 251 T C -0.257 174.321 174.700 -0.203 0.000 0.942 251 T CA -0.574 61.437 62.100 -0.150 0.000 0.997 251 T CB 0.752 69.554 68.868 -0.111 0.000 0.917 251 T HN 0.295 nan 8.240 nan 0.000 0.487 252 V N 5.554 125.250 119.914 -0.362 0.000 2.649 252 V HA 0.447 4.562 4.120 -0.010 0.000 0.292 252 V C 0.471 176.340 176.094 -0.376 0.000 1.055 252 V CA -0.426 61.609 62.300 -0.441 0.000 1.023 252 V CB 1.015 32.373 31.823 -0.776 0.000 0.992 252 V HN 0.737 nan 8.190 nan 0.000 0.480 253 R N 2.890 123.287 120.500 -0.172 0.000 2.574 253 R HA 0.816 5.150 4.340 -0.010 0.000 0.288 253 R C -1.911 174.427 176.300 0.063 0.000 1.004 253 R CA -0.620 55.438 56.100 -0.070 0.000 0.895 253 R CB 2.428 32.701 30.300 -0.045 0.000 1.191 253 R HN 0.504 nan 8.270 nan 0.000 0.444 254 V N 2.455 122.424 119.914 0.092 0.000 2.777 254 V HA 0.331 4.445 4.120 -0.010 0.000 0.306 254 V C -2.593 173.595 176.094 0.156 0.000 1.112 254 V CA -2.201 60.224 62.300 0.208 0.000 0.917 254 V CB 2.313 34.283 31.823 0.245 0.000 1.018 254 V HN 0.637 nan 8.190 nan 0.000 0.426 255 P HA 0.190 nan 4.420 nan 0.000 0.265 255 P C -1.342 176.063 177.300 0.175 0.000 1.222 255 P CA 0.435 63.653 63.100 0.196 0.000 0.767 255 P CB -0.179 31.675 31.700 0.257 0.000 0.801 256 Y N 6.407 126.687 120.300 -0.033 0.000 2.333 256 Y HA 0.365 4.909 4.550 -0.010 0.000 0.324 256 Y C -2.480 173.386 175.900 -0.056 0.000 1.033 256 Y CA -2.874 55.142 58.100 -0.140 0.000 1.224 256 Y CB 1.960 40.234 38.460 -0.311 0.000 1.120 256 Y HN 0.304 nan 8.280 nan 0.000 0.457 257 P HA 0.161 nan 4.420 nan 0.000 0.279 257 P C -1.030 176.320 177.300 0.083 0.000 1.318 257 P CA -0.030 63.101 63.100 0.052 0.000 0.819 257 P CB 0.900 32.615 31.700 0.026 0.000 0.927 258 K N 2.129 122.673 120.400 0.240 0.000 2.138 258 K HA 0.461 4.775 4.320 -0.010 0.000 0.251 258 K C 0.610 177.311 176.600 0.170 0.000 1.015 258 K CA -0.681 55.763 56.287 0.262 0.000 0.917 258 K CB 0.560 33.220 32.500 0.267 0.000 1.021 258 K HN 0.425 nan 8.250 nan 0.000 0.485 259 A N 1.117 124.059 122.820 0.203 0.000 2.583 259 A HA 0.224 4.538 4.320 -0.010 0.000 0.249 259 A C 1.259 178.881 177.584 0.062 0.000 1.035 259 A CA 1.110 53.249 52.037 0.169 0.000 0.777 259 A CB -1.259 17.916 19.000 0.292 0.000 0.942 259 A HN 0.932 nan 8.150 nan 0.000 0.516 260 G N 1.012 109.836 108.800 0.039 0.000 2.225 260 G HA2 0.107 4.061 3.960 -0.010 0.000 0.254 260 G HA3 0.107 4.061 3.960 -0.010 0.000 0.254 260 G C 0.699 175.608 174.900 0.016 0.000 0.988 260 G CA 0.766 45.863 45.100 -0.004 0.000 0.625 260 G HN 2.223 nan 8.290 nan 0.000 0.527 261 A N -0.193 122.654 122.820 0.044 0.000 2.259 261 A HA 0.733 5.048 4.320 -0.010 0.000 0.278 261 A C 0.899 178.510 177.584 0.045 0.000 1.107 261 A CA 0.329 52.395 52.037 0.049 0.000 0.828 261 A CB 0.644 19.688 19.000 0.073 0.000 1.111 261 A HN 1.183 nan 8.150 nan 0.000 0.498 262 V N 2.407 122.348 119.914 0.045 0.000 2.540 262 V HA -0.001 4.113 4.120 -0.010 0.000 0.297 262 V C 0.411 176.541 176.094 0.060 0.000 1.024 262 V CA 0.041 62.367 62.300 0.043 0.000 1.105 262 V CB -0.256 31.594 31.823 0.044 0.000 0.938 262 V HN 0.797 nan 8.190 nan 0.000 0.482 263 N N 6.237 124.967 118.700 0.050 0.000 2.495 263 N HA 0.442 5.176 4.740 -0.010 0.000 0.280 263 N C -2.371 173.209 175.510 0.116 0.000 1.168 263 N CA -1.546 51.552 53.050 0.081 0.000 0.978 263 N CB 1.147 39.661 38.487 0.046 0.000 1.191 263 N HN 0.392 nan 8.380 nan 0.000 0.497 264 P HA 0.048 nan 4.420 nan 0.000 0.269 264 P C -0.394 177.052 177.300 0.243 0.000 1.215 264 P CA -0.054 63.198 63.100 0.254 0.000 0.780 264 P CB 0.241 32.152 31.700 0.352 0.000 0.898 265 T N -1.315 113.366 114.554 0.211 0.000 2.945 265 T HA 0.576 4.920 4.350 -0.010 0.000 0.286 265 T C -0.332 174.492 174.700 0.206 0.000 1.025 265 T CA -0.863 61.319 62.100 0.137 0.000 1.039 265 T CB 1.549 70.456 68.868 0.065 0.000 1.068 265 T HN 0.306 nan 8.240 nan 0.000 0.497 266 V N 0.853 120.867 119.914 0.165 0.000 2.789 266 V HA 0.731 4.846 4.120 -0.010 0.000 0.311 266 V C -1.357 174.818 176.094 0.134 0.000 1.073 266 V CA -0.811 61.556 62.300 0.112 0.000 0.921 266 V CB 1.965 33.903 31.823 0.193 0.000 1.009 266 V HN 1.043 nan 8.190 nan 0.000 0.426 267 K N 4.689 125.094 120.400 0.009 0.000 2.443 267 K HA 0.595 4.909 4.320 -0.010 0.000 0.251 267 K C -1.880 174.615 176.600 -0.176 0.000 0.972 267 K CA -0.529 55.720 56.287 -0.064 0.000 0.833 267 K CB 2.793 35.219 32.500 -0.124 0.000 1.317 267 K HN 0.545 nan 8.250 nan 0.000 0.441 268 F N 2.142 121.764 119.950 -0.546 0.000 2.507 268 F HA 0.545 5.066 4.527 -0.009 0.000 0.325 268 F C -1.481 173.749 175.800 -0.951 0.000 1.116 268 F CA -0.728 56.930 58.000 -0.570 0.000 0.930 268 F CB 0.821 39.642 39.000 -0.299 0.000 1.146 268 F HN 0.370 nan 8.300 nan 0.000 0.447 269 F N 4.138 123.369 119.950 -1.198 0.000 2.588 269 F HA 0.768 5.289 4.527 -0.010 0.000 0.314 269 F C -0.936 174.197 175.800 -1.112 0.000 1.069 269 F CA -1.240 56.146 58.000 -1.023 0.000 0.931 269 F CB 2.110 40.455 39.000 -1.092 0.000 1.260 269 F HN 0.097 nan 8.300 nan 0.000 0.465 270 V N 2.700 122.376 119.914 -0.396 0.000 2.623 270 V HA 0.556 4.670 4.120 -0.010 0.000 0.304 270 V C -1.090 175.083 176.094 0.131 0.000 1.054 270 V CA -0.791 61.369 62.300 -0.234 0.000 0.882 270 V CB 1.857 33.345 31.823 -0.558 0.000 1.002 270 V HN 0.612 nan 8.190 nan 0.000 0.424 271 V N 4.017 124.075 119.914 0.239 0.000 2.628 271 V HA 0.574 4.688 4.120 -0.010 0.000 0.306 271 V C -0.316 175.988 176.094 0.349 0.000 1.045 271 V CA -0.617 61.849 62.300 0.276 0.000 0.905 271 V CB 2.196 34.127 31.823 0.180 0.000 0.997 271 V HN 0.928 nan 8.190 nan 0.000 0.436 272 N N 3.133 122.015 118.700 0.305 0.000 2.406 272 N HA 0.135 4.869 4.740 -0.010 0.000 0.251 272 N C 0.978 176.483 175.510 -0.007 0.000 1.069 272 N CA 0.494 53.625 53.050 0.136 0.000 0.947 272 N CB 1.639 40.194 38.487 0.113 0.000 1.111 272 N HN 0.874 nan 8.380 nan 0.000 0.497 273 T N -0.454 114.075 114.554 -0.041 0.000 3.113 273 T HA 0.049 4.393 4.350 -0.010 0.000 0.256 273 T C 0.638 175.280 174.700 -0.095 0.000 1.131 273 T CA 0.493 62.568 62.100 -0.042 0.000 1.074 273 T CB 0.216 69.146 68.868 0.104 0.000 0.944 273 T HN 0.249 nan 8.240 nan 0.000 0.516 274 D N 1.998 122.321 120.400 -0.128 0.000 2.305 274 D HA 0.046 4.680 4.640 -0.010 0.000 0.206 274 D C 1.483 177.722 176.300 -0.101 0.000 0.974 274 D CA 0.787 54.717 54.000 -0.117 0.000 0.871 274 D CB 0.153 40.868 40.800 -0.142 0.000 0.947 274 D HN 0.626 nan 8.370 nan 0.000 0.516 275 S N 0.219 115.862 115.700 -0.096 0.000 2.506 275 S HA 0.237 4.701 4.470 -0.010 0.000 0.245 275 S C 0.175 174.715 174.600 -0.101 0.000 1.088 275 S CA -0.624 57.537 58.200 -0.064 0.000 1.099 275 S CB 0.015 63.208 63.200 -0.011 0.000 0.805 275 S HN -0.132 nan 8.310 nan 0.000 0.461 276 L N 2.670 123.757 121.223 -0.226 0.000 2.313 276 L HA 0.495 4.829 4.340 -0.010 0.000 0.282 276 L C 0.489 177.190 176.870 -0.281 0.000 1.092 276 L CA 0.232 54.826 54.840 -0.410 0.000 0.831 276 L CB 0.933 42.400 42.059 -0.987 0.000 1.159 276 L HN 0.417 nan 8.230 nan 0.000 0.442 277 S N 1.383 117.043 115.700 -0.067 0.000 2.593 277 S HA 0.440 4.904 4.470 -0.010 0.000 0.297 277 S C 0.996 175.754 174.600 0.264 0.000 1.112 277 S CA -0.461 57.797 58.200 0.097 0.000 1.043 277 S CB 1.355 64.597 63.200 0.071 0.000 1.054 277 S HN 0.637 nan 8.310 nan 0.000 0.516 278 S N 1.878 117.731 115.700 0.255 0.000 2.486 278 S HA 0.044 4.508 4.470 -0.010 0.000 0.220 278 S C 1.514 176.201 174.600 0.144 0.000 1.011 278 S CA 0.217 58.551 58.200 0.223 0.000 0.921 278 S CB 0.090 63.383 63.200 0.154 0.000 0.785 278 S HN 0.559 nan 8.310 nan 0.000 0.517 279 V N 1.750 121.731 119.914 0.112 0.000 2.725 279 V HA 0.072 4.186 4.120 -0.010 0.000 0.247 279 V C 1.184 177.316 176.094 0.064 0.000 1.058 279 V CA 1.157 63.502 62.300 0.075 0.000 1.080 279 V CB -0.419 31.437 31.823 0.055 0.000 0.713 279 V HN 0.590 nan 8.190 nan 0.000 0.465 280 T N -1.761 112.838 114.554 0.075 0.000 2.908 280 T HA 0.430 4.774 4.350 -0.010 0.000 0.290 280 T C -0.404 174.345 174.700 0.082 0.000 1.034 280 T CA -0.779 61.352 62.100 0.053 0.000 1.010 280 T CB 1.618 70.509 68.868 0.039 0.000 1.068 280 T HN 0.045 nan 8.240 nan 0.000 0.481 281 N N 1.528 120.256 118.700 0.047 0.000 2.483 281 N HA 0.363 5.097 4.740 -0.010 0.000 0.264 281 N C 0.236 175.807 175.510 0.101 0.000 1.197 281 N CA -0.080 53.023 53.050 0.090 0.000 0.927 281 N CB 0.825 39.284 38.487 -0.048 0.000 1.065 281 N HN 0.972 nan 8.380 nan 0.000 0.461 282 A N 2.203 125.109 122.820 0.143 0.000 2.545 282 A HA 0.060 4.374 4.320 -0.010 0.000 0.253 282 A C 0.798 178.433 177.584 0.085 0.000 1.074 282 A CA 0.080 52.171 52.037 0.090 0.000 0.760 282 A CB -0.219 18.818 19.000 0.062 0.000 1.005 282 A HN 0.546 nan 8.150 nan 0.000 0.506 283 T N 2.981 117.585 114.554 0.084 0.000 2.739 283 T HA 0.411 4.755 4.350 -0.010 0.000 0.298 283 T C 0.152 174.933 174.700 0.134 0.000 0.929 283 T CA -0.264 61.895 62.100 0.097 0.000 1.014 283 T CB -0.440 68.486 68.868 0.097 0.000 0.914 283 T HN 0.529 nan 8.240 nan 0.000 0.509 284 S N 5.959 121.734 115.700 0.125 0.000 2.499 284 S HA 0.468 4.933 4.470 -0.010 0.000 0.279 284 S C 0.085 174.828 174.600 0.239 0.000 1.219 284 S CA -0.837 57.466 58.200 0.172 0.000 1.062 284 S CB 0.352 63.618 63.200 0.110 0.000 0.978 284 S HN 0.641 nan 8.310 nan 0.000 0.489 285 I N 3.350 124.074 120.570 0.256 0.000 2.312 285 I HA 0.232 4.396 4.170 -0.010 0.000 0.291 285 I C 0.624 176.834 176.117 0.155 0.000 1.031 285 I CA -0.260 61.192 61.300 0.254 0.000 1.293 285 I CB 0.804 39.028 38.000 0.373 0.000 1.403 285 I HN 0.683 nan 8.210 nan 0.000 0.484 286 Q N 6.277 126.156 119.800 0.133 0.000 2.304 286 Q HA 0.374 4.708 4.340 -0.010 0.000 0.260 286 Q C -0.894 175.028 176.000 -0.129 0.000 0.965 286 Q CA -0.233 55.458 55.803 -0.188 0.000 0.898 286 Q CB 0.920 29.526 28.738 -0.220 0.000 1.196 286 Q HN 0.530 nan 8.270 nan 0.000 0.402 287 I N 4.232 124.698 120.570 -0.172 0.000 2.321 287 I HA 0.196 4.360 4.170 -0.010 0.000 0.291 287 I C 0.670 176.754 176.117 -0.055 0.000 0.998 287 I CA -0.598 60.677 61.300 -0.042 0.000 1.227 287 I CB 1.497 39.513 38.000 0.027 0.000 1.368 287 I HN 0.711 nan 8.210 nan 0.000 0.466 288 T N 2.962 117.458 114.554 -0.097 0.000 2.770 288 T HA 0.691 5.035 4.350 -0.010 0.000 0.281 288 T C 0.109 174.611 174.700 -0.330 0.000 0.981 288 T CA -0.809 61.175 62.100 -0.194 0.000 0.955 288 T CB 1.495 70.252 68.868 -0.184 0.000 1.060 288 T HN 0.602 nan 8.240 nan 0.000 0.531 289 A N 1.611 124.031 122.820 -0.667 0.000 2.306 289 A HA 0.729 5.043 4.320 -0.010 0.000 0.330 289 A C -2.297 174.858 177.584 -0.714 0.000 1.146 289 A CA -2.119 49.193 52.037 -1.209 0.000 0.827 289 A CB -0.073 17.731 19.000 -1.993 0.000 1.178 289 A HN 0.787 nan 8.150 nan 0.000 0.490 290 P HA 0.106 nan 4.420 nan 0.000 0.269 290 P C 0.865 177.974 177.300 -0.318 0.000 1.217 290 P CA 0.588 63.488 63.100 -0.334 0.000 0.783 290 P CB 0.686 32.258 31.700 -0.214 0.000 0.898 291 A N 2.488 125.183 122.820 -0.207 0.000 1.917 291 A HA -0.203 4.111 4.320 -0.010 0.000 0.219 291 A C 2.107 179.586 177.584 -0.175 0.000 1.182 291 A CA 2.433 54.365 52.037 -0.176 0.000 0.633 291 A CB -1.758 17.169 19.000 -0.121 0.000 0.819 291 A HN 0.671 nan 8.150 nan 0.000 0.448 292 S N -1.692 113.921 115.700 -0.144 0.000 2.603 292 S HA 0.062 4.526 4.470 -0.010 0.000 0.229 292 S C 1.474 175.985 174.600 -0.149 0.000 0.972 292 S CA 1.125 59.245 58.200 -0.133 0.000 0.935 292 S CB -0.141 63.019 63.200 -0.067 0.000 0.769 292 S HN 0.414 nan 8.310 nan 0.000 0.536 293 M N 0.370 119.825 119.600 -0.242 0.000 2.800 293 M HA 0.382 4.856 4.480 -0.010 0.000 0.257 293 M C 1.783 177.817 176.300 -0.444 0.000 1.309 293 M CA 0.586 55.676 55.300 -0.351 0.000 1.202 293 M CB -0.958 31.294 32.600 -0.580 0.000 1.273 293 M HN 0.312 nan 8.290 nan 0.000 0.528 294 L N 0.193 121.149 121.223 -0.446 0.000 2.362 294 L HA -0.128 4.206 4.340 -0.010 0.000 0.219 294 L C 2.372 179.182 176.870 -0.100 0.000 1.134 294 L CA 0.298 54.974 54.840 -0.272 0.000 0.807 294 L CB -0.532 41.375 42.059 -0.253 0.000 0.927 294 L HN 0.240 nan 8.230 nan 0.000 0.447 295 I N 0.007 120.510 120.570 -0.112 0.000 2.335 295 I HA -0.136 4.028 4.170 -0.010 0.000 0.251 295 I C 1.121 177.217 176.117 -0.034 0.000 1.129 295 I CA 1.446 62.702 61.300 -0.074 0.000 1.402 295 I CB -0.601 37.342 38.000 -0.095 0.000 1.069 295 I HN 0.293 nan 8.210 nan 0.000 0.424 296 G N -0.903 107.900 108.800 0.004 0.000 2.753 296 G HA2 0.213 4.167 3.960 -0.010 0.000 0.303 296 G HA3 0.213 4.167 3.960 -0.010 0.000 0.303 296 G C -1.414 173.534 174.900 0.080 0.000 1.242 296 G CA -0.491 44.622 45.100 0.021 0.000 0.810 296 G HN 0.023 nan 8.290 nan 0.000 0.515 297 D N 1.420 121.808 120.400 -0.019 0.000 2.424 297 D HA 0.421 5.055 4.640 -0.010 0.000 0.244 297 D C 0.342 176.565 176.300 -0.129 0.000 1.134 297 D CA 0.696 54.613 54.000 -0.139 0.000 0.881 297 D CB 0.387 41.089 40.800 -0.163 0.000 1.191 297 D HN 0.542 nan 8.370 nan 0.000 0.445 298 H N -0.501 118.418 119.070 -0.251 0.000 2.960 298 H HA 0.463 5.013 4.556 -0.010 0.000 0.323 298 H C -1.368 173.812 175.328 -0.246 0.000 1.326 298 H CA -0.834 55.094 56.048 -0.199 0.000 1.124 298 H CB 0.465 30.223 29.762 -0.007 0.000 1.853 298 H HN 0.305 nan 8.280 nan 0.000 0.536 299 Y N -0.020 120.543 120.300 0.438 0.000 2.553 299 Y HA 0.381 4.925 4.550 -0.010 0.000 0.347 299 Y C -0.451 175.767 175.900 0.530 0.000 1.019 299 Y CA -1.159 57.215 58.100 0.456 0.000 1.032 299 Y CB 2.016 40.589 38.460 0.188 0.000 1.284 299 Y HN 0.473 nan 8.280 nan 0.000 0.466 300 L N 2.925 124.516 121.223 0.612 0.000 2.281 300 L HA 0.389 4.723 4.340 -0.010 0.000 0.285 300 L C 0.425 177.350 176.870 0.091 0.000 1.074 300 L CA -0.218 54.608 54.840 -0.022 0.000 0.817 300 L CB 0.414 42.331 42.059 -0.237 0.000 1.168 300 L HN 0.996 nan 8.230 nan 0.000 0.434 301 C N 0.866 120.069 119.300 -0.162 0.000 3.559 301 C HA 0.592 5.046 4.460 -0.010 0.000 0.314 301 C C 0.148 174.973 174.990 -0.276 0.000 1.419 301 C CA -0.216 58.634 59.018 -0.281 0.000 1.775 301 C CB -1.048 26.584 27.740 -0.180 0.000 2.430 301 C HN 0.869 nan 8.230 nan 0.000 0.686 302 D N 0.082 120.335 120.400 -0.245 0.000 2.977 302 D HA 0.581 5.215 4.640 -0.010 0.000 0.220 302 D C -1.421 174.603 176.300 -0.459 0.000 1.267 302 D CA -0.139 53.735 54.000 -0.211 0.000 0.884 302 D CB 2.266 42.933 40.800 -0.222 0.000 1.667 302 D HN 0.053 nan 8.370 nan 0.000 0.536 303 V N 2.731 122.320 119.914 -0.541 0.000 2.531 303 V HA 0.719 4.834 4.120 -0.010 0.000 0.301 303 V C -0.516 175.203 176.094 -0.626 0.000 1.034 303 V CA -0.486 61.245 62.300 -0.948 0.000 0.865 303 V CB 1.961 32.621 31.823 -1.940 0.000 0.995 303 V HN 0.734 nan 8.190 nan 0.000 0.424 304 T N 3.213 117.476 114.554 -0.486 0.000 3.109 304 T HA 0.352 4.696 4.350 -0.010 0.000 0.311 304 T C -1.005 173.572 174.700 -0.204 0.000 1.011 304 T CA -0.500 61.489 62.100 -0.186 0.000 1.026 304 T CB 0.882 69.727 68.868 -0.037 0.000 1.047 304 T HN 0.522 nan 8.240 nan 0.000 0.448 305 W N 2.052 123.322 121.300 -0.050 0.000 2.216 305 W HA 0.502 5.156 4.660 -0.010 0.000 0.326 305 W C 1.131 177.560 176.519 -0.151 0.000 1.319 305 W CA -0.372 56.936 57.345 -0.063 0.000 1.213 305 W CB 0.597 30.097 29.460 0.066 0.000 1.171 305 W HN 0.869 nan 8.180 nan 0.000 0.557 306 A N 1.985 124.707 122.820 -0.165 0.000 1.920 306 A HA 0.183 4.497 4.320 -0.010 0.000 0.209 306 A C 0.983 178.513 177.584 -0.090 0.000 1.229 306 A CA 1.547 53.240 52.037 -0.572 0.000 0.671 306 A CB -0.414 17.737 19.000 -1.414 0.000 0.886 306 A HN 0.537 nan 8.150 nan 0.000 0.461 307 T N -5.426 109.168 114.554 0.066 0.000 2.591 307 T HA 0.345 4.689 4.350 -0.010 0.000 0.274 307 T C 0.241 175.096 174.700 0.257 0.000 0.945 307 T CA -0.358 61.830 62.100 0.147 0.000 1.087 307 T CB 0.608 69.544 68.868 0.113 0.000 1.416 307 T HN -0.022 nan 8.240 nan 0.000 0.514 308 Q N 0.202 120.128 119.800 0.209 0.000 2.297 308 Q HA 0.114 4.448 4.340 -0.010 0.000 0.204 308 Q C 0.955 177.192 176.000 0.396 0.000 0.962 308 Q CA 1.247 57.183 55.803 0.222 0.000 0.879 308 Q CB 0.071 28.898 28.738 0.149 0.000 0.947 308 Q HN 0.788 nan 8.270 nan 0.000 0.462 309 E N -0.112 120.310 120.200 0.369 0.000 2.676 309 E HA 0.152 4.496 4.350 -0.010 0.000 0.222 309 E C -0.122 176.699 176.600 0.368 0.000 0.968 309 E CA -0.163 56.450 56.400 0.354 0.000 1.090 309 E CB 1.057 30.894 29.700 0.229 0.000 1.066 309 E HN -0.038 nan 8.360 nan 0.000 0.496 310 R N 1.734 122.457 120.500 0.372 0.000 2.476 310 R HA 0.502 4.836 4.340 -0.010 0.000 0.305 310 R C -1.532 174.800 176.300 0.053 0.000 0.965 310 R CA -0.381 55.835 56.100 0.193 0.000 0.867 310 R CB 1.107 31.417 30.300 0.017 0.000 1.176 310 R HN 0.023 nan 8.270 nan 0.000 0.447 311 I N 3.382 123.856 120.570 -0.161 0.000 2.509 311 I HA 0.399 4.563 4.170 -0.010 0.000 0.293 311 I C -0.889 174.947 176.117 -0.469 0.000 1.020 311 I CA -0.494 60.453 61.300 -0.589 0.000 1.088 311 I CB 2.087 39.322 38.000 -1.274 0.000 1.267 311 I HN 0.833 nan 8.210 nan 0.000 0.430 312 S N 7.587 123.001 115.700 -0.478 0.000 2.454 312 S HA 0.730 5.194 4.470 -0.010 0.000 0.306 312 S C -1.070 173.234 174.600 -0.493 0.000 1.100 312 S CA -0.724 57.261 58.200 -0.358 0.000 1.087 312 S CB 1.647 64.760 63.200 -0.145 0.000 1.019 312 S HN 0.426 nan 8.310 nan 0.000 0.480 313 L N 2.541 123.473 121.223 -0.485 0.000 2.362 313 L HA 0.549 4.883 4.340 -0.010 0.000 0.271 313 L C -0.167 176.400 176.870 -0.505 0.000 1.002 313 L CA -0.207 54.233 54.840 -0.665 0.000 0.818 313 L CB 1.889 43.468 42.059 -0.801 0.000 1.298 313 L HN 0.823 nan 8.230 nan 0.000 0.420 314 Q N 1.991 121.443 119.800 -0.579 0.000 2.333 314 Q HA 0.502 4.836 4.340 -0.010 0.000 0.267 314 Q C -1.582 174.136 176.000 -0.470 0.000 1.012 314 Q CA -0.511 55.070 55.803 -0.370 0.000 0.824 314 Q CB 2.144 30.727 28.738 -0.257 0.000 1.290 314 Q HN 0.477 nan 8.270 nan 0.000 0.449 315 W N 2.009 123.256 121.300 -0.088 0.000 2.736 315 W HA 0.708 5.362 4.660 -0.010 0.000 0.355 315 W C -0.760 175.787 176.519 0.046 0.000 1.102 315 W CA -0.611 56.732 57.345 -0.002 0.000 1.164 315 W CB 1.261 30.699 29.460 -0.037 0.000 1.422 315 W HN 0.308 nan 8.180 nan 0.000 0.572 316 L N 2.198 123.658 121.223 0.395 0.000 2.464 316 L HA 0.491 4.825 4.340 -0.010 0.000 0.266 316 L C -0.024 177.054 176.870 0.346 0.000 0.965 316 L CA -1.075 53.951 54.840 0.311 0.000 0.833 316 L CB 1.709 43.933 42.059 0.274 0.000 1.296 316 L HN 0.482 nan 8.230 nan 0.000 0.405 317 R N 2.106 122.771 120.500 0.275 0.000 2.694 317 R HA 0.103 4.437 4.340 -0.010 0.000 0.268 317 R C 0.964 177.362 176.300 0.163 0.000 1.061 317 R CA -0.160 56.054 56.100 0.191 0.000 1.133 317 R CB 0.820 31.210 30.300 0.150 0.000 1.020 317 R HN 0.609 nan 8.270 nan 0.000 0.475 318 R N 1.439 121.956 120.500 0.029 0.000 2.103 318 R HA -0.136 4.198 4.340 -0.010 0.000 0.242 318 R C 0.254 176.623 176.300 0.116 0.000 1.142 318 R CA 1.396 57.506 56.100 0.017 0.000 0.960 318 R CB -0.114 30.130 30.300 -0.094 0.000 0.858 318 R HN 0.411 nan 8.270 nan 0.000 0.439 319 I N 2.359 122.974 120.570 0.076 0.000 2.389 319 I HA -0.035 4.129 4.170 -0.010 0.000 0.295 319 I C 0.483 176.661 176.117 0.103 0.000 1.117 319 I CA 0.673 62.015 61.300 0.070 0.000 1.317 319 I CB 1.212 39.240 38.000 0.048 0.000 1.431 319 I HN 0.154 nan 8.210 nan 0.000 0.521 320 Q N 4.855 124.708 119.800 0.088 0.000 2.292 320 Q HA -0.003 4.331 4.340 -0.010 0.000 0.235 320 Q C 0.715 176.791 176.000 0.126 0.000 0.910 320 Q CA -0.004 55.863 55.803 0.108 0.000 0.952 320 Q CB -0.364 28.392 28.738 0.030 0.000 1.089 320 Q HN 0.682 nan 8.270 nan 0.000 0.431 321 N N -0.683 118.091 118.700 0.125 0.000 2.205 321 N HA -0.072 4.662 4.740 -0.010 0.000 0.201 321 N C -0.879 174.719 175.510 0.146 0.000 1.128 321 N CA -0.112 53.000 53.050 0.103 0.000 0.867 321 N CB 0.310 38.834 38.487 0.062 0.000 0.996 321 N HN 0.229 nan 8.380 nan 0.000 0.503 322 Y N 1.254 121.576 120.300 0.037 0.000 2.354 322 Y HA 0.521 5.065 4.550 -0.010 0.000 0.330 322 Y C -1.039 174.892 175.900 0.051 0.000 1.011 322 Y CA -0.834 57.286 58.100 0.033 0.000 1.099 322 Y CB 1.468 39.942 38.460 0.022 0.000 1.179 322 Y HN 0.147 nan 8.280 nan 0.000 0.442 323 S N 4.392 119.947 115.700 -0.241 0.000 2.569 323 S HA 0.904 5.368 4.470 -0.010 0.000 0.280 323 S C -1.966 172.517 174.600 -0.196 0.000 1.111 323 S CA -0.732 57.417 58.200 -0.085 0.000 0.887 323 S CB 1.892 65.076 63.200 -0.027 0.000 1.095 323 S HN 0.447 nan 8.310 nan 0.000 0.476 324 V N 2.975 122.879 119.914 -0.016 0.000 2.656 324 V HA 0.562 4.677 4.120 -0.010 0.000 0.307 324 V C -0.512 175.602 176.094 0.033 0.000 1.051 324 V CA -0.700 61.599 62.300 -0.002 0.000 0.893 324 V CB 1.931 33.797 31.823 0.071 0.000 0.999 324 V HN 1.035 nan 8.190 nan 0.000 0.426 325 M N 3.478 123.070 119.600 -0.013 0.000 2.205 325 M HA 0.527 5.001 4.480 -0.010 0.000 0.344 325 M C -1.291 175.008 176.300 -0.002 0.000 1.085 325 M CA -0.341 54.926 55.300 -0.056 0.000 1.001 325 M CB 1.159 33.670 32.600 -0.148 0.000 1.626 325 M HN 0.597 nan 8.290 nan 0.000 0.442 326 D N 4.980 125.370 120.400 -0.017 0.000 2.192 326 D HA 0.499 5.134 4.640 -0.010 0.000 0.246 326 D C -1.074 175.188 176.300 -0.063 0.000 1.042 326 D CA -0.005 53.990 54.000 -0.008 0.000 0.847 326 D CB 1.562 42.387 40.800 0.041 0.000 1.186 326 D HN 0.580 nan 8.370 nan 0.000 0.461 327 I N 2.754 123.313 120.570 -0.019 0.000 2.382 327 I HA 0.268 4.432 4.170 -0.010 0.000 0.285 327 I C -0.629 175.483 176.117 -0.009 0.000 1.007 327 I CA -0.487 60.798 61.300 -0.026 0.000 1.142 327 I CB 1.131 39.162 38.000 0.051 0.000 1.289 327 I HN 0.185 nan 8.210 nan 0.000 0.453 328 c N 4.465 123.048 118.600 -0.027 0.000 2.345 328 c HA 0.476 5.040 4.570 -0.010 0.000 0.323 328 c C -0.269 173.954 174.090 0.222 0.000 1.276 328 c CA -0.830 55.545 56.329 0.076 0.000 1.543 328 c CB 0.831 43.365 42.510 0.040 0.000 2.211 328 c HN 0.590 nan 8.230 nan 0.000 0.493 329 D N 0.802 121.327 120.400 0.207 0.000 2.256 329 D HA 0.203 4.837 4.640 -0.010 0.000 0.246 329 D C -0.809 175.460 176.300 -0.052 0.000 1.042 329 D CA -0.197 53.883 54.000 0.133 0.000 0.841 329 D CB 1.671 42.492 40.800 0.036 0.000 1.223 329 D HN 0.612 nan 8.370 nan 0.000 0.470 330 Y N 2.068 122.025 120.300 -0.571 0.000 2.436 330 Y HA 0.042 4.586 4.550 -0.010 0.000 0.336 330 Y C 0.114 175.731 175.900 -0.473 0.000 1.049 330 Y CA 0.034 57.489 58.100 -1.075 0.000 1.294 330 Y CB 0.525 38.161 38.460 -1.374 0.000 1.179 330 Y HN 0.164 nan 8.280 nan 0.000 0.520 331 D N 6.294 126.126 120.400 -0.947 0.000 2.443 331 D HA 0.069 4.704 4.640 -0.010 0.000 0.221 331 D C 0.361 176.126 176.300 -0.893 0.000 1.097 331 D CA -0.056 53.552 54.000 -0.652 0.000 0.865 331 D CB 0.839 41.408 40.800 -0.384 0.000 1.034 331 D HN 0.849 nan 8.370 nan 0.000 0.511 332 E N 1.576 121.401 120.200 -0.625 0.000 2.160 332 E HA -0.175 4.169 4.350 -0.010 0.000 0.195 332 E C 1.555 178.022 176.600 -0.222 0.000 0.991 332 E CA 0.692 56.875 56.400 -0.362 0.000 0.810 332 E CB 0.290 29.956 29.700 -0.057 0.000 0.742 332 E HN 0.362 nan 8.360 nan 0.000 0.466 333 S N 0.562 116.143 115.700 -0.199 0.000 2.335 333 S HA -0.151 4.313 4.470 -0.010 0.000 0.216 333 S C 2.151 176.680 174.600 -0.118 0.000 1.032 333 S CA 1.822 59.950 58.200 -0.121 0.000 1.000 333 S CB -0.155 62.986 63.200 -0.098 0.000 0.928 333 S HN 0.363 nan 8.310 nan 0.000 0.434 334 S N -0.389 115.218 115.700 -0.155 0.000 2.489 334 S HA 0.289 4.754 4.470 -0.010 0.000 0.228 334 S C 1.698 176.234 174.600 -0.107 0.000 0.995 334 S CA 1.078 59.212 58.200 -0.110 0.000 0.934 334 S CB -0.417 62.723 63.200 -0.099 0.000 0.771 334 S HN 1.382 nan 8.310 nan 0.000 0.522 335 G N 1.284 109.952 108.800 -0.220 0.000 2.179 335 G HA2 -0.281 3.673 3.960 -0.010 0.000 0.260 335 G HA3 -0.281 3.673 3.960 -0.010 0.000 0.260 335 G C 0.336 175.183 174.900 -0.090 0.000 0.977 335 G CA 0.355 45.374 45.100 -0.134 0.000 0.641 335 G HN 0.604 nan 8.290 nan 0.000 0.533 336 R N -1.605 118.786 120.500 -0.182 0.000 2.519 336 R HA 0.641 4.975 4.340 -0.010 0.000 0.244 336 R C -0.602 175.587 176.300 -0.187 0.000 1.241 336 R CA -0.426 55.658 56.100 -0.026 0.000 1.120 336 R CB 0.459 30.766 30.300 0.011 0.000 1.333 336 R HN 0.193 nan 8.270 nan 0.000 0.587 337 W N -0.102 121.196 121.300 -0.003 0.000 2.781 337 W HA 0.392 5.046 4.660 -0.010 0.000 0.333 337 W C -0.800 175.698 176.519 -0.034 0.000 1.047 337 W CA -0.343 56.997 57.345 -0.008 0.000 1.236 337 W CB 1.254 30.716 29.460 0.003 0.000 1.394 337 W HN 0.400 nan 8.180 nan 0.000 0.466 338 N N 1.877 120.659 118.700 0.137 0.000 2.342 338 N HA 0.530 5.264 4.740 -0.010 0.000 0.293 338 N C -1.415 174.133 175.510 0.065 0.000 1.026 338 N CA -0.675 52.416 53.050 0.067 0.000 0.857 338 N CB 1.313 39.803 38.487 0.005 0.000 1.256 338 N HN 0.231 nan 8.380 nan 0.000 0.484 339 c N 3.380 122.002 118.600 0.037 0.000 2.248 339 c HA 0.310 4.874 4.570 -0.010 0.000 0.320 339 c C -0.045 174.044 174.090 -0.001 0.000 1.065 339 c CA -0.973 55.367 56.329 0.018 0.000 1.558 339 c CB -1.639 40.873 42.510 0.003 0.000 1.787 339 c HN 0.587 nan 8.230 nan 0.000 0.426 340 L N 2.773 123.997 121.223 0.002 0.000 2.660 340 L HA -0.024 4.310 4.340 -0.010 0.000 0.272 340 L C 1.653 178.513 176.870 -0.018 0.000 1.194 340 L CA 0.633 55.469 54.840 -0.007 0.000 0.945 340 L CB -0.054 42.005 42.059 -0.001 0.000 1.212 340 L HN 0.588 nan 8.230 nan 0.000 0.490 341 V N 4.025 123.922 119.914 -0.028 0.000 2.370 341 V HA -0.377 3.737 4.120 -0.010 0.000 0.252 341 V C 2.246 178.313 176.094 -0.045 0.000 1.068 341 V CA 2.134 64.411 62.300 -0.038 0.000 1.061 341 V CB -0.991 30.809 31.823 -0.038 0.000 0.656 341 V HN 1.012 nan 8.190 nan 0.000 0.455 342 A N -0.798 121.998 122.820 -0.039 0.000 2.121 342 A HA -0.110 4.204 4.320 -0.010 0.000 0.218 342 A C 2.140 179.681 177.584 -0.072 0.000 1.154 342 A CA 0.968 52.976 52.037 -0.049 0.000 0.679 342 A CB -0.328 18.653 19.000 -0.031 0.000 0.795 342 A HN 0.478 nan 8.150 nan 0.000 0.458 343 R N -0.048 120.422 120.500 -0.050 0.000 2.359 343 R HA 0.127 4.461 4.340 -0.010 0.000 0.231 343 R C -0.259 176.003 176.300 -0.064 0.000 0.913 343 R CA 0.029 56.112 56.100 -0.028 0.000 1.075 343 R CB 0.135 30.457 30.300 0.037 0.000 1.087 343 R HN 0.656 nan 8.270 nan 0.000 0.515 344 Q N 0.341 120.065 119.800 -0.127 0.000 2.261 344 Q HA 0.171 4.505 4.340 -0.010 0.000 0.252 344 Q C -0.883 174.965 176.000 -0.254 0.000 0.915 344 Q CA 0.036 55.777 55.803 -0.103 0.000 0.915 344 Q CB 1.209 29.910 28.738 -0.061 0.000 1.204 344 Q HN 0.163 nan 8.270 nan 0.000 0.421 345 H N 1.143 120.187 119.070 -0.044 0.000 2.505 345 H HA 0.406 4.956 4.556 -0.010 0.000 0.338 345 H C -0.764 174.496 175.328 -0.112 0.000 1.057 345 H CA -0.425 55.582 56.048 -0.069 0.000 1.202 345 H CB 0.981 30.674 29.762 -0.116 0.000 1.466 345 H HN 0.432 nan 8.280 nan 0.000 0.499 346 I N 2.301 122.858 120.570 -0.022 0.000 2.353 346 I HA 0.222 4.386 4.170 -0.010 0.000 0.293 346 I C 0.033 176.071 176.117 -0.131 0.000 0.992 346 I CA -0.211 60.997 61.300 -0.152 0.000 1.268 346 I CB 1.302 39.190 38.000 -0.186 0.000 1.387 346 I HN 0.566 nan 8.210 nan 0.000 0.478 347 E N 8.248 128.323 120.200 -0.208 0.000 2.218 347 E HA 0.614 4.958 4.350 -0.010 0.000 0.263 347 E C -1.162 175.328 176.600 -0.184 0.000 0.879 347 E CA -0.699 55.622 56.400 -0.131 0.000 0.762 347 E CB 1.436 31.085 29.700 -0.085 0.000 1.166 347 E HN 0.647 nan 8.360 nan 0.000 0.415 348 M N 0.726 120.256 119.600 -0.117 0.000 2.716 348 M HA 0.716 5.190 4.480 -0.010 0.000 0.278 348 M C -1.292 174.986 176.300 -0.036 0.000 1.281 348 M CA -0.800 54.450 55.300 -0.083 0.000 0.814 348 M CB 2.452 35.012 32.600 -0.067 0.000 1.719 348 M HN 0.181 nan 8.290 nan 0.000 0.457 349 S N -0.386 115.297 115.700 -0.028 0.000 2.546 349 S HA 0.477 4.941 4.470 -0.010 0.000 0.272 349 S C 0.121 174.691 174.600 -0.049 0.000 1.140 349 S CA -0.326 57.838 58.200 -0.059 0.000 0.920 349 S CB 2.155 65.267 63.200 -0.147 0.000 1.083 349 S HN 0.862 nan 8.310 nan 0.000 0.476 350 T N -2.040 112.487 114.554 -0.046 0.000 3.037 350 T HA 0.003 4.347 4.350 -0.010 0.000 0.251 350 T C 1.702 176.363 174.700 -0.065 0.000 1.079 350 T CA 0.836 62.915 62.100 -0.036 0.000 1.067 350 T CB -0.324 68.536 68.868 -0.014 0.000 0.948 350 T HN 0.668 nan 8.240 nan 0.000 0.496 351 T N -1.471 113.022 114.554 -0.101 0.000 3.051 351 T HA 0.557 4.901 4.350 -0.010 0.000 0.255 351 T C 1.212 175.711 174.700 -0.334 0.000 1.085 351 T CA 0.495 62.529 62.100 -0.109 0.000 1.109 351 T CB 0.159 69.040 68.868 0.021 0.000 0.921 351 T HN 0.589 nan 8.240 nan 0.000 0.488 352 G N 0.210 108.621 108.800 -0.648 0.000 2.696 352 G HA2 0.479 4.433 3.960 -0.010 0.000 0.151 352 G HA3 0.479 4.433 3.960 -0.010 0.000 0.151 352 G C -1.499 173.129 174.900 -0.453 0.000 1.197 352 G CA -0.531 44.034 45.100 -0.891 0.000 1.053 352 G HN 0.503 nan 8.290 nan 0.000 0.546 353 W N 0.282 121.310 121.300 -0.453 0.000 2.380 353 W HA 0.737 5.392 4.660 -0.009 0.000 0.441 353 W C 0.147 176.602 176.519 -0.107 0.000 1.762 353 W CA -0.707 56.514 57.345 -0.207 0.000 1.905 353 W CB 0.496 29.838 29.460 -0.197 0.000 1.624 353 W HN 0.632 nan 8.180 nan 0.000 0.717 354 V N 0.617 120.610 119.914 0.131 0.000 2.459 354 V HA 0.921 5.035 4.120 -0.010 0.000 0.295 354 V C 0.264 176.425 176.094 0.112 0.000 1.029 354 V CA -0.097 62.224 62.300 0.035 0.000 0.874 354 V CB 0.360 32.196 31.823 0.022 0.000 0.985 354 V HN 1.959 nan 8.190 nan 0.000 0.438 355 G N 4.974 113.795 108.800 0.035 0.000 2.828 355 G HA2 -0.197 3.757 3.960 -0.010 0.000 0.463 355 G HA3 -0.197 3.757 3.960 -0.010 0.000 0.463 355 G C 0.218 175.189 174.900 0.118 0.000 1.394 355 G CA 0.313 45.459 45.100 0.077 0.000 0.862 355 G HN 0.997 nan 8.290 nan 0.000 0.540 356 R N -1.000 119.576 120.500 0.126 0.000 2.062 356 R HA 0.165 4.499 4.340 -0.010 0.000 0.229 356 R C 2.022 178.288 176.300 -0.058 0.000 1.128 356 R CA 2.154 58.289 56.100 0.059 0.000 0.960 356 R CB -0.071 30.290 30.300 0.100 0.000 0.855 356 R HN 0.477 nan 8.270 nan 0.000 0.432 357 F N -0.955 119.137 119.950 0.237 0.000 2.784 357 F HA 0.250 4.772 4.527 -0.010 0.000 0.316 357 F C 0.367 176.194 175.800 0.045 0.000 1.026 357 F CA -0.512 57.571 58.000 0.139 0.000 1.188 357 F CB 0.740 39.814 39.000 0.124 0.000 0.999 357 F HN -0.146 nan 8.300 nan 0.000 0.605 358 R N -0.602 120.032 120.500 0.224 0.000 2.734 358 R HA 0.522 4.856 4.340 -0.010 0.000 0.271 358 R C -3.253 173.098 176.300 0.084 0.000 1.021 358 R CA -2.094 54.057 56.100 0.086 0.000 0.893 358 R CB 0.313 30.604 30.300 -0.016 0.000 1.244 358 R HN -0.355 nan 8.270 nan 0.000 0.464 359 P HA -0.053 nan 4.420 nan 0.000 0.266 359 P C -0.319 176.992 177.300 0.017 0.000 1.193 359 P CA 0.078 63.187 63.100 0.014 0.000 0.770 359 P CB 0.697 32.377 31.700 -0.034 0.000 0.836 360 S N 1.285 117.005 115.700 0.033 0.000 2.593 360 S HA 0.110 4.574 4.470 -0.010 0.000 0.269 360 S C 0.117 174.720 174.600 0.005 0.000 1.334 360 S CA -0.642 57.594 58.200 0.060 0.000 1.015 360 S CB 0.042 63.302 63.200 0.099 0.000 0.912 360 S HN 0.457 nan 8.310 nan 0.000 0.541 361 E N 3.630 123.847 120.200 0.028 0.000 2.331 361 E HA 0.362 4.706 4.350 -0.010 0.000 0.272 361 E C -2.771 173.770 176.600 -0.099 0.000 1.036 361 E CA -2.147 54.215 56.400 -0.064 0.000 0.864 361 E CB 0.427 30.095 29.700 -0.053 0.000 1.035 361 E HN 0.284 nan 8.360 nan 0.000 0.408 362 P HA 0.200 nan 4.420 nan 0.000 0.278 362 P C -0.703 176.387 177.300 -0.351 0.000 1.238 362 P CA -0.213 62.674 63.100 -0.355 0.000 0.794 362 P CB 0.631 31.745 31.700 -0.978 0.000 0.955 363 H N 2.219 121.255 119.070 -0.058 0.000 2.685 363 H HA 0.286 4.836 4.556 -0.010 0.000 0.307 363 H C -0.268 175.136 175.328 0.127 0.000 1.017 363 H CA -0.336 55.771 56.048 0.099 0.000 1.237 363 H CB 0.199 30.072 29.762 0.185 0.000 1.409 363 H HN 0.321 nan 8.280 nan 0.000 0.488 364 F N 1.950 122.071 119.950 0.285 0.000 2.399 364 F HA 0.048 4.570 4.527 -0.009 0.000 0.342 364 F C 1.567 177.535 175.800 0.279 0.000 1.106 364 F CA -0.501 57.657 58.000 0.264 0.000 1.196 364 F CB 0.992 40.089 39.000 0.161 0.000 1.163 364 F HN 0.366 nan 8.300 nan 0.000 0.547 365 T N 0.948 115.775 114.554 0.455 0.000 2.856 365 T HA 0.084 4.428 4.350 -0.010 0.000 0.306 365 T C 1.159 176.039 174.700 0.300 0.000 1.062 365 T CA -0.812 61.504 62.100 0.359 0.000 1.083 365 T CB 0.838 69.894 68.868 0.313 0.000 0.984 365 T HN 0.595 nan 8.240 nan 0.000 0.542 366 L N 1.698 123.060 121.223 0.232 0.000 2.010 366 L HA -0.185 4.149 4.340 -0.010 0.000 0.219 366 L C 2.309 179.278 176.870 0.165 0.000 1.077 366 L CA 2.707 57.657 54.840 0.184 0.000 0.773 366 L CB -0.987 41.159 42.059 0.145 0.000 0.892 366 L HN 0.989 nan 8.230 nan 0.000 0.436 367 D N -1.248 119.247 120.400 0.158 0.000 2.310 367 D HA -0.001 4.633 4.640 -0.010 0.000 0.212 367 D C 1.613 177.996 176.300 0.138 0.000 0.965 367 D CA 0.933 55.013 54.000 0.134 0.000 0.879 367 D CB -0.644 40.228 40.800 0.121 0.000 0.921 367 D HN 0.477 nan 8.370 nan 0.000 0.510 368 G N 0.114 109.027 108.800 0.188 0.000 2.147 368 G HA2 -0.368 3.587 3.960 -0.010 0.000 0.244 368 G HA3 -0.368 3.587 3.960 -0.010 0.000 0.244 368 G C 0.589 175.621 174.900 0.221 0.000 1.005 368 G CA 0.394 45.604 45.100 0.184 0.000 0.713 368 G HN 0.490 nan 8.290 nan 0.000 0.515 369 N N -0.520 118.310 118.700 0.217 0.000 2.299 369 N HA 0.346 5.080 4.740 -0.010 0.000 0.187 369 N C 0.517 176.126 175.510 0.164 0.000 1.099 369 N CA 0.742 53.899 53.050 0.179 0.000 0.867 369 N CB 0.453 39.014 38.487 0.124 0.000 0.974 369 N HN 0.316 nan 8.380 nan 0.000 0.477 370 S N -0.504 115.306 115.700 0.183 0.000 2.607 370 S HA 0.662 5.126 4.470 -0.010 0.000 0.273 370 S C -1.524 173.076 174.600 -0.000 0.000 1.148 370 S CA -0.846 57.295 58.200 -0.098 0.000 0.833 370 S CB 1.459 64.458 63.200 -0.335 0.000 1.130 370 S HN 0.242 nan 8.310 nan 0.000 0.470 371 F N -0.798 118.839 119.950 -0.522 0.000 2.668 371 F HA 0.792 5.314 4.527 -0.008 0.000 0.309 371 F C -2.085 173.395 175.800 -0.535 0.000 1.117 371 F CA -1.307 56.365 58.000 -0.547 0.000 0.951 371 F CB 0.678 39.039 39.000 -1.066 0.000 1.323 371 F HN 0.493 nan 8.300 nan 0.000 0.451 372 Y N 1.208 121.540 120.300 0.054 0.000 2.409 372 Y HA 0.692 5.235 4.550 -0.011 0.000 0.339 372 Y C -0.527 175.492 175.900 0.198 0.000 1.033 372 Y CA -0.778 57.370 58.100 0.079 0.000 1.094 372 Y CB 2.187 40.702 38.460 0.093 0.000 1.210 372 Y HN 0.712 nan 8.280 nan 0.000 0.456 373 K N 0.856 121.447 120.400 0.318 0.000 2.562 373 K HA 0.591 4.905 4.320 -0.010 0.000 0.267 373 K C -1.856 174.864 176.600 0.200 0.000 0.938 373 K CA -0.764 55.677 56.287 0.258 0.000 0.840 373 K CB 1.389 33.997 32.500 0.179 0.000 1.390 373 K HN 0.533 nan 8.250 nan 0.000 0.428 374 I N 3.659 124.330 120.570 0.168 0.000 2.517 374 I HA 0.247 4.411 4.170 -0.010 0.000 0.285 374 I C 0.183 176.385 176.117 0.142 0.000 1.106 374 I CA -0.171 61.215 61.300 0.143 0.000 1.402 374 I CB -0.006 38.065 38.000 0.119 0.000 1.399 374 I HN 0.617 nan 8.210 nan 0.000 0.535 375 I N 2.387 123.070 120.570 0.188 0.000 2.969 375 I HA 0.599 4.763 4.170 -0.010 0.000 0.307 375 I C -0.088 176.151 176.117 0.204 0.000 1.149 375 I CA -0.812 60.596 61.300 0.181 0.000 1.008 375 I CB 2.298 40.425 38.000 0.213 0.000 1.232 375 I HN 0.503 nan 8.210 nan 0.000 0.435 376 S N 2.284 118.043 115.700 0.099 0.000 2.580 376 S HA 0.380 4.844 4.470 -0.010 0.000 0.274 376 S C -0.147 174.487 174.600 0.056 0.000 1.329 376 S CA -0.660 57.553 58.200 0.022 0.000 1.036 376 S CB 0.721 63.866 63.200 -0.093 0.000 0.919 376 S HN 0.839 nan 8.310 nan 0.000 0.515 377 N N 1.328 119.968 118.700 -0.099 0.000 2.531 377 N HA 0.251 4.985 4.740 -0.010 0.000 0.301 377 N C 0.769 176.182 175.510 -0.162 0.000 1.310 377 N CA -0.710 52.159 53.050 -0.301 0.000 0.949 377 N CB -0.208 37.804 38.487 -0.792 0.000 1.111 377 N HN 0.549 nan 8.380 nan 0.000 0.565 378 E N 0.124 120.213 120.200 -0.186 0.000 2.085 378 E HA -0.178 4.167 4.350 -0.010 0.000 0.194 378 E C 0.974 177.520 176.600 -0.091 0.000 0.994 378 E CA 1.334 57.670 56.400 -0.106 0.000 0.801 378 E CB -0.433 29.206 29.700 -0.102 0.000 0.743 378 E HN 0.690 nan 8.360 nan 0.000 0.453 379 E N -0.102 120.047 120.200 -0.084 0.000 2.511 379 E HA 0.046 4.391 4.350 -0.010 0.000 0.196 379 E C 0.640 177.203 176.600 -0.063 0.000 1.066 379 E CA 0.466 56.861 56.400 -0.008 0.000 0.871 379 E CB 0.029 29.785 29.700 0.094 0.000 0.863 379 E HN 0.389 nan 8.360 nan 0.000 0.520 380 G N 1.185 109.903 108.800 -0.136 0.000 2.147 380 G HA2 -0.287 3.667 3.960 -0.010 0.000 0.244 380 G HA3 -0.287 3.667 3.960 -0.010 0.000 0.244 380 G C -0.376 174.262 174.900 -0.436 0.000 1.005 380 G CA 0.071 45.004 45.100 -0.278 0.000 0.713 380 G HN 0.232 nan 8.290 nan 0.000 0.515 381 Y N -0.328 119.860 120.300 -0.187 0.000 2.360 381 Y HA 0.626 5.170 4.550 -0.009 0.000 0.337 381 Y C 1.157 176.930 175.900 -0.210 0.000 1.039 381 Y CA -0.940 57.037 58.100 -0.206 0.000 1.109 381 Y CB 1.130 39.484 38.460 -0.177 0.000 1.201 381 Y HN 0.099 nan 8.280 nan 0.000 0.458 382 R N 3.643 124.043 120.500 -0.167 0.000 2.248 382 R HA 0.270 4.604 4.340 -0.010 0.000 0.328 382 R C -0.814 175.243 176.300 -0.405 0.000 1.067 382 R CA -0.007 55.993 56.100 -0.167 0.000 0.924 382 R CB 0.059 30.302 30.300 -0.095 0.000 1.013 382 R HN 0.656 nan 8.270 nan 0.000 0.454 383 H N 1.737 120.812 119.070 0.009 0.000 2.949 383 H HA 0.335 4.886 4.556 -0.008 0.000 0.356 383 H C -0.171 175.235 175.328 0.130 0.000 1.212 383 H CA -0.914 55.122 56.048 -0.020 0.000 1.136 383 H CB 1.597 31.271 29.762 -0.146 0.000 1.869 383 H HN 0.315 nan 8.280 nan 0.000 0.556 384 I N 1.285 121.961 120.570 0.177 0.000 2.416 384 I HA 0.056 4.220 4.170 -0.010 0.000 0.288 384 I C 0.342 176.480 176.117 0.036 0.000 1.051 384 I CA 0.101 61.455 61.300 0.090 0.000 1.375 384 I CB 0.403 38.386 38.000 -0.029 0.000 1.407 384 I HN 0.135 nan 8.210 nan 0.000 0.516 385 c N 6.962 125.504 118.600 -0.097 0.000 2.417 385 c HA 0.411 4.975 4.570 -0.010 0.000 0.324 385 c C -0.314 173.574 174.090 -0.337 0.000 1.240 385 c CA -0.601 55.426 56.329 -0.503 0.000 1.632 385 c CB 0.918 42.838 42.510 -0.984 0.000 2.241 385 c HN 0.687 nan 8.230 nan 0.000 0.499 386 Y N 4.117 124.030 120.300 -0.645 0.000 2.313 386 Y HA 0.655 5.199 4.550 -0.009 0.000 0.332 386 Y C -0.965 174.383 175.900 -0.919 0.000 1.071 386 Y CA -0.164 57.488 58.100 -0.747 0.000 1.169 386 Y CB 0.465 38.549 38.460 -0.626 0.000 1.192 386 Y HN 0.654 nan 8.280 nan 0.000 0.487 387 F N 3.511 122.537 119.950 -1.540 0.000 2.563 387 F HA 0.461 4.983 4.527 -0.007 0.000 0.316 387 F C -0.500 174.511 175.800 -1.315 0.000 1.076 387 F CA -0.832 56.347 58.000 -1.368 0.000 0.921 387 F CB 2.149 39.977 39.000 -1.953 0.000 1.209 387 F HN 0.370 nan 8.300 nan 0.000 0.462 388 Q N 2.197 121.705 119.800 -0.488 0.000 2.316 388 Q HA 0.326 4.660 4.340 -0.010 0.000 0.264 388 Q C 0.579 176.599 176.000 0.034 0.000 0.987 388 Q CA -0.693 54.965 55.803 -0.242 0.000 0.852 388 Q CB 2.529 31.204 28.738 -0.105 0.000 1.287 388 Q HN 0.645 nan 8.270 nan 0.000 0.448 389 I N 1.288 121.933 120.570 0.126 0.000 2.248 389 I HA -0.294 3.871 4.170 -0.010 0.000 0.248 389 I C 0.748 176.987 176.117 0.203 0.000 1.107 389 I CA 1.751 63.217 61.300 0.276 0.000 1.373 389 I CB 0.114 38.258 38.000 0.239 0.000 1.055 389 I HN 0.610 nan 8.210 nan 0.000 0.418 390 D N 0.964 121.434 120.400 0.115 0.000 2.894 390 D HA 0.126 4.761 4.640 -0.010 0.000 0.248 390 D C 0.348 176.677 176.300 0.048 0.000 1.291 390 D CA 0.062 54.104 54.000 0.069 0.000 0.840 390 D CB 0.082 40.914 40.800 0.053 0.000 1.044 390 D HN 0.461 nan 8.370 nan 0.000 0.484 395 T N -0.910 113.331 114.554 -0.523 0.000 2.848 395 T HA 0.696 5.040 4.350 -0.010 0.000 0.285 395 T C -0.973 173.459 174.700 -0.446 0.000 0.995 395 T CA -0.175 61.720 62.100 -0.341 0.000 0.970 395 T CB 0.715 69.464 68.868 -0.197 0.000 0.976 395 T HN 0.627 nan 8.240 nan 0.000 0.441 396 F N 3.244 123.021 119.950 -0.288 0.000 2.429 396 F HA 0.393 4.913 4.527 -0.011 0.000 0.348 396 F C 1.618 177.159 175.800 -0.432 0.000 1.109 396 F CA -0.849 56.977 58.000 -0.290 0.000 1.232 396 F CB 0.966 39.826 39.000 -0.234 0.000 1.157 396 F HN 0.691 nan 8.300 nan 0.000 0.564 397 I N -1.436 118.980 120.570 -0.257 0.000 4.139 397 I HA 0.256 4.420 4.170 -0.010 0.000 0.335 397 I C 0.203 176.232 176.117 -0.147 0.000 1.327 397 I CA -0.024 60.950 61.300 -0.544 0.000 1.112 397 I CB 0.170 37.807 38.000 -0.604 0.000 1.058 397 I HN 0.496 nan 8.210 nan 0.000 0.396 398 T N 0.113 114.614 114.554 -0.088 0.000 2.916 398 T HA 0.745 5.090 4.350 -0.010 0.000 0.292 398 T C -0.618 173.788 174.700 -0.489 0.000 1.064 398 T CA -0.620 61.418 62.100 -0.103 0.000 1.011 398 T CB 2.742 71.614 68.868 0.007 0.000 1.152 398 T HN 0.488 nan 8.240 nan 0.000 0.510 399 K N -0.551 119.358 120.400 -0.818 0.000 2.617 399 K HA 0.759 5.073 4.320 -0.010 0.000 0.293 399 K C -0.441 175.482 176.600 -1.129 0.000 1.034 399 K CA -0.845 54.642 56.287 -1.334 0.000 0.884 399 K CB 1.186 33.307 32.500 -0.631 0.000 1.541 399 K HN 1.678 nan 8.250 nan 0.000 0.409 400 G N -0.069 108.158 108.800 -0.955 0.000 2.406 400 G HA2 0.034 3.988 3.960 -0.010 0.000 0.680 400 G HA3 0.034 3.988 3.960 -0.010 0.000 0.680 400 G C -0.532 173.803 174.900 -0.940 0.000 1.338 400 G CA -0.412 44.282 45.100 -0.678 0.000 0.941 400 G HN 1.112 nan 8.290 nan 0.000 0.633 401 T N -0.209 113.936 114.554 -0.682 0.000 4.313 401 T HA 0.539 4.883 4.350 -0.010 0.000 0.272 401 T C 0.325 174.832 174.700 -0.322 0.000 1.298 401 T CA 0.799 62.319 62.100 -0.967 0.000 1.124 401 T CB -0.986 67.604 68.868 -0.464 0.000 1.352 401 T HN 1.690 nan 8.240 nan 0.000 1.013 402 W N -0.361 120.745 121.300 -0.323 0.000 2.881 402 W HA 0.599 5.252 4.660 -0.011 0.000 0.380 402 W C -1.593 174.916 176.519 -0.018 0.000 1.170 402 W CA -0.955 56.364 57.345 -0.044 0.000 1.171 402 W CB 0.564 29.995 29.460 -0.048 0.000 1.464 402 W HN 0.221 nan 8.180 nan 0.000 0.574 403 E N 0.776 121.154 120.200 0.296 0.000 2.317 403 E HA 0.434 4.779 4.350 -0.010 0.000 0.270 403 E C -1.153 175.567 176.600 0.200 0.000 0.885 403 E CA -1.182 55.195 56.400 -0.038 0.000 0.760 403 E CB 3.420 33.149 29.700 0.048 0.000 1.227 403 E HN 0.170 nan 8.360 nan 0.000 0.434 404 V N 4.169 124.076 119.914 -0.012 0.000 2.470 404 V HA -0.014 4.100 4.120 -0.010 0.000 0.276 404 V C 1.296 177.494 176.094 0.173 0.000 1.040 404 V CA 0.107 62.519 62.300 0.186 0.000 1.008 404 V CB 0.359 32.209 31.823 0.045 0.000 0.990 404 V HN 0.692 nan 8.190 nan 0.000 0.477 405 I N 3.442 124.136 120.570 0.208 0.000 2.333 405 I HA 0.208 4.372 4.170 -0.010 0.000 0.246 405 I C 1.131 177.360 176.117 0.187 0.000 1.106 405 I CA 1.247 62.646 61.300 0.165 0.000 1.411 405 I CB -0.788 37.237 38.000 0.041 0.000 1.082 405 I HN 0.741 nan 8.210 nan 0.000 0.420 406 G N 0.768 109.687 108.800 0.198 0.000 2.702 406 G HA2 0.513 4.468 3.960 -0.010 0.000 0.296 406 G HA3 0.513 4.468 3.960 -0.010 0.000 0.296 406 G C -1.177 173.831 174.900 0.180 0.000 1.463 406 G CA -0.571 44.643 45.100 0.191 0.000 0.890 406 G HN -0.028 nan 8.290 nan 0.000 0.534 407 I N 1.807 122.427 120.570 0.082 0.000 2.416 407 I HA 0.208 4.372 4.170 -0.010 0.000 0.288 407 I C 0.842 176.910 176.117 -0.081 0.000 1.051 407 I CA -0.393 60.852 61.300 -0.093 0.000 1.375 407 I CB 1.514 39.217 38.000 -0.495 0.000 1.407 407 I HN 0.505 nan 8.210 nan 0.000 0.516 408 E N 5.042 125.261 120.200 0.031 0.000 2.290 408 E HA 0.337 4.681 4.350 -0.010 0.000 0.197 408 E C 0.118 176.732 176.600 0.023 0.000 0.948 408 E CA 0.223 56.701 56.400 0.129 0.000 0.895 408 E CB 0.762 30.623 29.700 0.269 0.000 0.865 408 E HN 0.666 nan 8.360 nan 0.000 0.486 409 A N 0.718 123.457 122.820 -0.135 0.000 2.594 409 A HA 0.564 4.878 4.320 -0.010 0.000 0.296 409 A C -1.971 175.561 177.584 -0.088 0.000 1.061 409 A CA -0.665 51.220 52.037 -0.253 0.000 0.689 409 A CB 1.184 19.602 19.000 -0.969 0.000 1.280 409 A HN 0.047 nan 8.150 nan 0.000 0.406 410 L N 2.158 123.373 121.223 -0.013 0.000 2.372 410 L HA 0.741 5.075 4.340 -0.010 0.000 0.274 410 L C 0.518 177.434 176.870 0.076 0.000 0.988 410 L CA 0.434 55.297 54.840 0.038 0.000 0.833 410 L CB 1.666 43.775 42.059 0.082 0.000 1.236 410 L HN 1.110 nan 8.230 nan 0.000 0.410 411 T N 0.152 114.768 114.554 0.104 0.000 2.902 411 T HA 0.385 4.729 4.350 -0.010 0.000 0.287 411 T C 1.084 175.840 174.700 0.095 0.000 1.048 411 T CA 0.180 62.347 62.100 0.112 0.000 0.941 411 T CB 0.844 69.812 68.868 0.166 0.000 1.432 411 T HN 0.625 nan 8.240 nan 0.000 0.586 412 S N -0.969 114.778 115.700 0.079 0.000 2.501 412 S HA 0.090 4.554 4.470 -0.010 0.000 0.220 412 S C 0.755 175.345 174.600 -0.016 0.000 0.997 412 S CA 0.225 58.457 58.200 0.053 0.000 0.919 412 S CB -0.326 62.907 63.200 0.054 0.000 0.778 412 S HN 0.670 nan 8.310 nan 0.000 0.523 413 D N -0.278 120.091 120.400 -0.052 0.000 2.394 413 D HA 0.278 4.913 4.640 -0.010 0.000 0.226 413 D C -0.576 175.409 176.300 -0.524 0.000 0.990 413 D CA 0.676 54.506 54.000 -0.283 0.000 0.902 413 D CB 0.224 40.864 40.800 -0.266 0.000 1.038 413 D HN 0.455 nan 8.370 nan 0.000 0.499 414 Y N -0.201 120.058 120.300 -0.068 0.000 2.492 414 Y HA 0.453 4.997 4.550 -0.010 0.000 0.346 414 Y C -0.763 174.976 175.900 -0.269 0.000 0.997 414 Y CA -1.077 56.888 58.100 -0.224 0.000 1.025 414 Y CB 2.409 40.638 38.460 -0.386 0.000 1.263 414 Y HN -0.258 nan 8.280 nan 0.000 0.454 415 L N 3.592 124.707 121.223 -0.180 0.000 2.307 415 L HA 0.589 4.923 4.340 -0.010 0.000 0.284 415 L C -1.725 175.000 176.870 -0.242 0.000 1.023 415 L CA -0.529 54.182 54.840 -0.216 0.000 0.810 415 L CB 0.719 42.560 42.059 -0.363 0.000 1.231 415 L HN 0.612 nan 8.230 nan 0.000 0.423 416 Y N 4.920 125.165 120.300 -0.091 0.000 2.341 416 Y HA 0.518 5.063 4.550 -0.008 0.000 0.337 416 Y C -0.633 175.302 175.900 0.059 0.000 1.014 416 Y CA -0.367 57.696 58.100 -0.063 0.000 1.111 416 Y CB 1.414 39.725 38.460 -0.248 0.000 1.194 416 Y HN 0.536 nan 8.280 nan 0.000 0.462 417 Y N 0.831 121.200 120.300 0.116 0.000 2.544 417 Y HA 0.747 5.291 4.550 -0.010 0.000 0.342 417 Y C -1.747 174.247 175.900 0.156 0.000 1.062 417 Y CA -1.761 56.400 58.100 0.103 0.000 1.023 417 Y CB 1.101 39.603 38.460 0.070 0.000 1.308 417 Y HN 0.460 nan 8.280 nan 0.000 0.457 418 I N 4.073 124.758 120.570 0.192 0.000 2.359 418 I HA 0.552 4.717 4.170 -0.010 0.000 0.294 418 I C -0.134 176.127 176.117 0.240 0.000 0.987 418 I CA -0.295 61.067 61.300 0.103 0.000 1.225 418 I CB 1.720 39.751 38.000 0.050 0.000 1.366 418 I HN 0.907 nan 8.210 nan 0.000 0.466 419 S N 3.893 119.720 115.700 0.213 0.000 2.720 419 S HA 0.424 4.888 4.470 -0.010 0.000 0.287 419 S C -0.445 174.218 174.600 0.104 0.000 1.168 419 S CA -0.830 57.517 58.200 0.245 0.000 0.832 419 S CB 1.749 65.187 63.200 0.397 0.000 1.166 419 S HN 0.643 nan 8.310 nan 0.000 0.493 420 N N -0.550 118.211 118.700 0.101 0.000 2.389 420 N HA 0.184 4.918 4.740 -0.010 0.000 0.260 420 N C 0.458 175.944 175.510 -0.040 0.000 1.191 420 N CA -0.395 52.664 53.050 0.015 0.000 0.885 420 N CB 0.323 38.801 38.487 -0.014 0.000 1.162 420 N HN 0.779 nan 8.380 nan 0.000 0.512 421 E N -0.034 120.003 120.200 -0.273 0.000 2.106 421 E HA -0.156 4.188 4.350 -0.010 0.000 0.192 421 E C -0.416 176.019 176.600 -0.275 0.000 0.984 421 E CA 0.191 56.174 56.400 -0.695 0.000 0.806 421 E CB -0.036 28.696 29.700 -1.615 0.000 0.750 421 E HN 0.535 nan 8.360 nan 0.000 0.458 422 Y N 1.776 121.967 120.300 -0.181 0.000 2.805 422 Y HA -0.179 4.365 4.550 -0.010 0.000 0.331 422 Y C 0.430 176.281 175.900 -0.082 0.000 1.241 422 Y CA 0.815 58.861 58.100 -0.090 0.000 1.546 422 Y CB 0.251 38.688 38.460 -0.038 0.000 1.248 422 Y HN 0.042 nan 8.280 nan 0.000 0.559 423 K N 3.485 123.583 120.400 -0.504 0.000 2.971 423 K HA -0.269 4.045 4.320 -0.010 0.000 0.265 423 K C 0.753 177.267 176.600 -0.143 0.000 1.052 423 K CA 0.767 56.826 56.287 -0.381 0.000 0.780 423 K CB -1.936 30.284 32.500 -0.467 0.000 1.214 423 K HN 1.224 nan 8.250 nan 0.000 0.478 424 G N 0.652 109.383 108.800 -0.114 0.000 2.305 424 G HA2 -0.323 3.631 3.960 -0.010 0.000 0.287 424 G HA3 -0.323 3.631 3.960 -0.010 0.000 0.287 424 G C -0.023 174.836 174.900 -0.069 0.000 1.036 424 G CA 0.774 45.852 45.100 -0.038 0.000 0.887 424 G HN 0.341 nan 8.290 nan 0.000 0.505 425 M N -0.130 119.361 119.600 -0.181 0.000 2.055 425 M HA 0.269 4.743 4.480 -0.010 0.000 0.347 425 M C -1.394 174.655 176.300 -0.419 0.000 1.123 425 M CA -2.093 52.935 55.300 -0.454 0.000 1.035 425 M CB 1.905 34.312 32.600 -0.322 0.000 1.484 425 M HN -0.129 nan 8.290 nan 0.000 0.428 426 P HA -0.048 nan 4.420 nan 0.000 0.222 426 P C 1.139 178.298 177.300 -0.235 0.000 1.147 426 P CA 0.875 63.793 63.100 -0.304 0.000 0.790 426 P CB 0.226 31.738 31.700 -0.313 0.000 0.780 427 G N -0.997 107.600 108.800 -0.338 0.000 3.233 427 G HA2 0.283 4.237 3.960 -0.010 0.000 0.227 427 G HA3 0.283 4.237 3.960 -0.010 0.000 0.227 427 G C 0.609 175.508 174.900 -0.001 0.000 1.175 427 G CA 0.018 45.052 45.100 -0.109 0.000 0.781 427 G HN 0.364 nan 8.290 nan 0.000 0.542 428 G N -0.167 108.574 108.800 -0.097 0.000 2.441 428 G HA2 0.642 4.596 3.960 -0.010 0.000 0.334 428 G HA3 0.642 4.596 3.960 -0.010 0.000 0.334 428 G C -0.851 173.920 174.900 -0.214 0.000 1.161 428 G CA -0.757 44.304 45.100 -0.066 0.000 0.935 428 G HN 0.071 nan 8.290 nan 0.000 0.488 429 R N 0.693 121.020 120.500 -0.288 0.000 2.515 429 R HA 0.339 4.673 4.340 -0.010 0.000 0.291 429 R C -1.301 174.922 176.300 -0.128 0.000 1.046 429 R CA -0.744 55.155 56.100 -0.335 0.000 0.914 429 R CB 1.775 31.620 30.300 -0.757 0.000 1.191 429 R HN 0.690 nan 8.270 nan 0.000 0.435 430 N N 0.738 119.377 118.700 -0.102 0.000 2.321 430 N HA 0.473 5.207 4.740 -0.010 0.000 0.290 430 N C -1.392 173.899 175.510 -0.365 0.000 1.212 430 N CA -0.795 52.097 53.050 -0.262 0.000 0.767 430 N CB 2.094 40.333 38.487 -0.413 0.000 1.494 430 N HN 0.241 nan 8.380 nan 0.000 0.479 431 L N 1.963 122.827 121.223 -0.599 0.000 2.312 431 L HA 0.531 4.865 4.340 -0.010 0.000 0.281 431 L C -1.604 174.790 176.870 -0.793 0.000 1.070 431 L CA -0.055 54.471 54.840 -0.525 0.000 0.805 431 L CB 0.096 41.872 42.059 -0.472 0.000 1.174 431 L HN 0.519 nan 8.230 nan 0.000 0.434 432 Y N 3.005 122.954 120.300 -0.585 0.000 2.545 432 Y HA 0.585 5.130 4.550 -0.009 0.000 0.348 432 Y C -0.628 174.988 175.900 -0.473 0.000 1.002 432 Y CA -0.902 56.819 58.100 -0.632 0.000 1.039 432 Y CB 1.806 39.646 38.460 -1.034 0.000 1.271 432 Y HN 0.521 nan 8.280 nan 0.000 0.467 433 K N 1.825 122.120 120.400 -0.174 0.000 2.397 433 K HA 0.735 5.050 4.320 -0.010 0.000 0.253 433 K C -1.714 174.872 176.600 -0.024 0.000 0.932 433 K CA -0.563 55.541 56.287 -0.304 0.000 0.795 433 K CB 1.915 33.974 32.500 -0.736 0.000 1.159 433 K HN 0.605 nan 8.250 nan 0.000 0.424 434 I N 2.728 123.329 120.570 0.052 0.000 2.331 434 I HA 0.092 4.256 4.170 -0.010 0.000 0.292 434 I C 0.170 176.372 176.117 0.141 0.000 0.998 434 I CA -0.693 60.687 61.300 0.134 0.000 1.267 434 I CB 1.681 39.744 38.000 0.104 0.000 1.386 434 I HN 0.666 nan 8.210 nan 0.000 0.476 435 Q N 5.206 125.090 119.800 0.141 0.000 2.300 435 Q HA 0.057 4.391 4.340 -0.010 0.000 0.262 435 Q C 0.635 176.568 176.000 -0.111 0.000 1.109 435 Q CA -0.491 55.281 55.803 -0.053 0.000 0.905 435 Q CB 0.790 29.535 28.738 0.011 0.000 1.280 435 Q HN 0.615 nan 8.270 nan 0.000 0.426 436 L N 3.158 124.251 121.223 -0.216 0.000 2.187 436 L HA -0.224 4.110 4.340 -0.010 0.000 0.213 436 L C 2.307 179.128 176.870 -0.083 0.000 1.100 436 L CA 2.064 56.834 54.840 -0.116 0.000 0.765 436 L CB -0.757 41.227 42.059 -0.124 0.000 0.904 436 L HN 0.723 nan 8.230 nan 0.000 0.437 437 S N -2.588 113.036 115.700 -0.126 0.000 2.489 437 S HA -0.014 4.450 4.470 -0.010 0.000 0.228 437 S C 0.644 175.198 174.600 -0.077 0.000 0.995 437 S CA 0.435 58.579 58.200 -0.093 0.000 0.934 437 S CB 0.023 63.159 63.200 -0.106 0.000 0.771 437 S HN 0.423 nan 8.310 nan 0.000 0.522 438 D N 0.354 120.709 120.400 -0.075 0.000 2.474 438 D HA 0.137 4.771 4.640 -0.010 0.000 0.234 438 D C 0.282 176.524 176.300 -0.097 0.000 1.323 438 D CA -0.707 53.220 54.000 -0.122 0.000 0.915 438 D CB -0.044 40.682 40.800 -0.122 0.000 1.487 438 D HN 0.232 nan 8.370 nan 0.000 0.524 439 Y N 0.922 121.191 120.300 -0.050 0.000 2.384 439 Y HA -0.104 4.440 4.550 -0.009 0.000 0.289 439 Y C 1.714 177.613 175.900 -0.001 0.000 1.152 439 Y CA 1.262 59.346 58.100 -0.027 0.000 1.258 439 Y CB -0.839 37.601 38.460 -0.034 0.000 0.979 439 Y HN 0.118 nan 8.280 nan 0.000 0.549 440 T N -0.156 114.228 114.554 -0.283 0.000 2.737 440 T HA -0.166 4.178 4.350 -0.010 0.000 0.269 440 T C 0.713 175.398 174.700 -0.025 0.000 1.040 440 T CA 1.607 63.614 62.100 -0.155 0.000 1.142 440 T CB -0.264 68.461 68.868 -0.239 0.000 0.861 440 T HN 0.090 nan 8.240 nan 0.000 0.456 441 K N 2.113 122.503 120.400 -0.018 0.000 2.262 441 K HA 0.361 4.675 4.320 -0.010 0.000 0.288 441 K C -1.184 175.465 176.600 0.082 0.000 1.090 441 K CA -0.006 56.297 56.287 0.028 0.000 0.918 441 K CB 0.569 33.080 32.500 0.019 0.000 1.139 441 K HN 0.001 nan 8.250 nan 0.000 0.462 442 V N 2.955 122.924 119.914 0.092 0.000 2.531 442 V HA 0.409 4.523 4.120 -0.010 0.000 0.301 442 V C -0.368 175.788 176.094 0.103 0.000 1.034 442 V CA -0.919 61.459 62.300 0.130 0.000 0.865 442 V CB 2.143 34.071 31.823 0.176 0.000 0.995 442 V HN 0.693 nan 8.190 nan 0.000 0.424 443 T N 2.483 117.076 114.554 0.066 0.000 2.797 443 T HA 0.299 4.643 4.350 -0.010 0.000 0.279 443 T C -0.333 174.330 174.700 -0.061 0.000 0.991 443 T CA -0.364 61.734 62.100 -0.003 0.000 0.979 443 T CB 1.433 70.262 68.868 -0.065 0.000 0.943 443 T HN 0.739 nan 8.240 nan 0.000 0.444 444 C N 4.972 124.185 119.300 -0.145 0.000 2.373 444 C HA 0.416 4.870 4.460 -0.010 0.000 0.354 444 C C 1.741 176.450 174.990 -0.469 0.000 1.249 444 C CA -0.631 58.072 59.018 -0.524 0.000 1.784 444 C CB -1.965 25.421 27.740 -0.591 0.000 2.408 444 C HN 0.994 nan 8.230 nan 0.000 0.542 445 L N 4.499 125.399 121.223 -0.538 0.000 2.209 445 L HA 0.044 4.378 4.340 -0.010 0.000 0.207 445 L C 2.381 178.952 176.870 -0.499 0.000 1.094 445 L CA 1.287 55.882 54.840 -0.408 0.000 0.790 445 L CB -0.396 41.452 42.059 -0.351 0.000 0.932 445 L HN 0.853 nan 8.230 nan 0.000 0.447 446 S N -2.544 112.724 115.700 -0.720 0.000 2.512 446 S HA -0.006 4.458 4.470 -0.010 0.000 0.216 446 S C 1.939 176.099 174.600 -0.733 0.000 1.006 446 S CA -0.168 57.468 58.200 -0.940 0.000 0.915 446 S CB -0.392 61.859 63.200 -1.582 0.000 0.824 446 S HN 0.304 nan 8.310 nan 0.000 0.497 447 C N 2.171 121.060 119.300 -0.685 0.000 2.386 447 C HA -0.039 4.415 4.460 -0.010 0.000 0.279 447 C C 2.688 177.408 174.990 -0.451 0.000 1.208 447 C CA 1.530 60.106 59.018 -0.737 0.000 1.747 447 C CB -1.136 26.081 27.740 -0.873 0.000 2.046 447 C HN 0.597 nan 8.230 nan 0.000 0.453 448 E N 0.230 120.248 120.200 -0.302 0.000 2.478 448 E HA 0.096 4.440 4.350 -0.010 0.000 0.194 448 E C 1.967 178.519 176.600 -0.080 0.000 1.045 448 E CA 0.034 56.349 56.400 -0.143 0.000 0.868 448 E CB -0.293 29.348 29.700 -0.097 0.000 0.885 448 E HN 0.552 nan 8.360 nan 0.000 0.505 449 L N 1.019 122.187 121.223 -0.091 0.000 1.991 449 L HA -0.218 4.116 4.340 -0.010 0.000 0.221 449 L C 0.458 177.340 176.870 0.021 0.000 1.079 449 L CA 1.578 56.408 54.840 -0.016 0.000 0.778 449 L CB -0.554 41.515 42.059 0.016 0.000 0.893 449 L HN 0.288 nan 8.230 nan 0.000 0.437 450 N N -2.377 116.349 118.700 0.044 0.000 2.932 450 N HA 0.136 4.870 4.740 -0.010 0.000 0.242 450 N C -2.552 172.982 175.510 0.040 0.000 1.351 450 N CA -0.970 52.099 53.050 0.031 0.000 0.785 450 N CB 1.290 39.789 38.487 0.019 0.000 1.501 450 N HN -0.136 nan 8.380 nan 0.000 0.584 451 P HA -0.194 nan 4.420 nan 0.000 0.218 451 P C 1.021 178.364 177.300 0.072 0.000 1.148 451 P CA 1.216 64.363 63.100 0.078 0.000 0.822 451 P CB 0.673 32.441 31.700 0.113 0.000 0.784 452 E N 0.086 120.312 120.200 0.044 0.000 2.046 452 E HA -0.175 4.169 4.350 -0.010 0.000 0.190 452 E C 2.299 178.903 176.600 0.006 0.000 0.982 452 E CA 0.698 57.115 56.400 0.029 0.000 0.800 452 E CB 0.016 29.727 29.700 0.018 0.000 0.756 452 E HN 0.025 nan 8.360 nan 0.000 0.449 453 R N -0.620 119.872 120.500 -0.013 0.000 2.161 453 R HA 0.078 4.413 4.340 -0.010 0.000 0.213 453 R C -0.262 175.991 176.300 -0.077 0.000 1.055 453 R CA 0.683 56.753 56.100 -0.051 0.000 0.996 453 R CB 0.132 30.396 30.300 -0.060 0.000 0.901 453 R HN 0.017 nan 8.270 nan 0.000 0.456 454 c N 0.772 119.336 118.600 -0.060 0.000 2.383 454 c HA 0.439 5.003 4.570 -0.010 0.000 0.330 454 c C -0.328 173.726 174.090 -0.059 0.000 1.168 454 c CA -0.616 55.619 56.329 -0.156 0.000 1.374 454 c CB 1.515 43.893 42.510 -0.219 0.000 2.014 454 c HN 0.625 nan 8.230 nan 0.000 0.439 455 Q N 0.477 120.234 119.800 -0.072 0.000 2.081 455 Q HA 0.196 4.530 4.340 -0.010 0.000 0.220 455 Q C -0.934 175.104 176.000 0.063 0.000 0.775 455 Q CA 0.097 55.935 55.803 0.058 0.000 0.983 455 Q CB 1.289 30.091 28.738 0.107 0.000 1.188 455 Q HN 0.780 nan 8.270 nan 0.000 0.458 456 Y N 0.604 120.786 120.300 -0.196 0.000 2.526 456 Y HA 0.386 4.931 4.550 -0.009 0.000 0.328 456 Y C -1.502 174.250 175.900 -0.247 0.000 0.995 456 Y CA -0.985 57.032 58.100 -0.139 0.000 1.304 456 Y CB 0.591 38.986 38.460 -0.107 0.000 1.096 456 Y HN -0.071 nan 8.280 nan 0.000 0.499 457 Y N 2.097 122.319 120.300 -0.131 0.000 2.487 457 Y HA 0.623 5.167 4.550 -0.009 0.000 0.337 457 Y C 0.394 176.227 175.900 -0.112 0.000 1.076 457 Y CA -0.544 57.489 58.100 -0.112 0.000 1.115 457 Y CB 2.082 40.437 38.460 -0.176 0.000 1.235 457 Y HN 0.508 nan 8.280 nan 0.000 0.468 458 S N 0.715 116.483 115.700 0.114 0.000 2.709 458 S HA 0.870 5.334 4.470 -0.010 0.000 0.302 458 S C -1.526 173.107 174.600 0.054 0.000 1.127 458 S CA -0.792 57.454 58.200 0.076 0.000 0.905 458 S CB 1.886 65.148 63.200 0.102 0.000 1.151 458 S HN 0.552 nan 8.310 nan 0.000 0.510 459 V N 0.210 120.150 119.914 0.043 0.000 2.925 459 V HA 0.816 4.930 4.120 -0.010 0.000 0.311 459 V C -1.189 174.934 176.094 0.047 0.000 1.104 459 V CA -0.328 61.953 62.300 -0.031 0.000 0.954 459 V CB 2.360 34.059 31.823 -0.206 0.000 1.022 459 V HN 1.088 nan 8.190 nan 0.000 0.427 460 S N 5.074 120.798 115.700 0.039 0.000 2.745 460 S HA 0.630 5.094 4.470 -0.010 0.000 0.283 460 S C -1.068 173.663 174.600 0.218 0.000 1.170 460 S CA -0.372 57.964 58.200 0.225 0.000 1.119 460 S CB 0.258 63.647 63.200 0.315 0.000 1.035 460 S HN 0.486 nan 8.310 nan 0.000 0.483 461 F N 3.188 123.214 119.950 0.126 0.000 2.375 461 F HA 0.373 4.894 4.527 -0.010 0.000 0.333 461 F C 1.435 176.860 175.800 -0.626 0.000 1.104 461 F CA -0.200 57.719 58.000 -0.135 0.000 1.149 461 F CB 1.224 40.116 39.000 -0.180 0.000 1.190 461 F HN 0.580 nan 8.300 nan 0.000 0.533 462 S N 1.768 116.873 115.700 -0.991 0.000 2.589 462 S HA 0.102 4.566 4.470 -0.010 0.000 0.265 462 S C 1.229 175.581 174.600 -0.414 0.000 1.342 462 S CA -0.817 56.517 58.200 -1.445 0.000 1.005 462 S CB 0.967 63.361 63.200 -1.344 0.000 0.909 462 S HN 0.710 nan 8.310 nan 0.000 0.555 463 K N 0.946 121.235 120.400 -0.185 0.000 2.117 463 K HA -0.240 4.074 4.320 -0.010 0.000 0.215 463 K C 0.984 177.587 176.600 0.005 0.000 1.053 463 K CA 2.465 58.752 56.287 0.000 0.000 0.935 463 K CB -0.224 32.314 32.500 0.063 0.000 0.719 463 K HN 0.845 nan 8.250 nan 0.000 0.460 464 E N -2.388 117.803 120.200 -0.015 0.000 3.105 464 E HA 0.339 4.684 4.350 -0.010 0.000 0.198 464 E C -0.771 175.807 176.600 -0.037 0.000 0.976 464 E CA 0.318 56.717 56.400 -0.001 0.000 1.219 464 E CB 1.106 30.829 29.700 0.039 0.000 1.081 464 E HN 0.343 nan 8.360 nan 0.000 0.464 465 A N 1.166 123.942 122.820 -0.074 0.000 2.872 465 A HA -0.317 3.997 4.320 -0.010 0.000 0.273 465 A C 1.328 178.899 177.584 -0.022 0.000 1.442 465 A CA 1.297 53.302 52.037 -0.052 0.000 0.801 465 A CB -1.746 17.047 19.000 -0.345 0.000 1.031 465 A HN 0.313 nan 8.150 nan 0.000 0.582 466 K N -2.019 118.326 120.400 -0.092 0.000 2.155 466 K HA 0.064 4.378 4.320 -0.010 0.000 0.203 466 K C 0.187 176.502 176.600 -0.475 0.000 1.052 466 K CA 1.532 57.654 56.287 -0.276 0.000 0.948 466 K CB 0.032 32.337 32.500 -0.324 0.000 0.728 466 K HN 0.738 nan 8.250 nan 0.000 0.448 467 Y N -1.093 119.179 120.300 -0.046 0.000 2.605 467 Y HA 0.312 4.856 4.550 -0.009 0.000 0.343 467 Y C -0.744 175.111 175.900 -0.076 0.000 1.036 467 Y CA -1.528 56.534 58.100 -0.064 0.000 1.065 467 Y CB 1.716 40.183 38.460 0.012 0.000 1.288 467 Y HN -0.059 nan 8.280 nan 0.000 0.481 468 Y N -1.155 119.182 120.300 0.061 0.000 2.552 468 Y HA 0.478 5.023 4.550 -0.010 0.000 0.337 468 Y C -1.374 174.566 175.900 0.066 0.000 1.094 468 Y CA -1.425 56.559 58.100 -0.192 0.000 1.028 468 Y CB 1.466 39.298 38.460 -1.046 0.000 1.321 468 Y HN 0.578 nan 8.280 nan 0.000 0.456 469 Q N 3.709 123.658 119.800 0.249 0.000 2.290 469 Q HA 0.551 4.885 4.340 -0.010 0.000 0.259 469 Q C -1.731 174.356 176.000 0.145 0.000 0.941 469 Q CA -0.711 55.197 55.803 0.175 0.000 0.912 469 Q CB 1.308 30.113 28.738 0.113 0.000 1.244 469 Q HN 0.954 nan 8.270 nan 0.000 0.441 470 L N 3.852 125.169 121.223 0.158 0.000 2.307 470 L HA 0.510 4.844 4.340 -0.010 0.000 0.282 470 L C -0.448 176.456 176.870 0.057 0.000 1.051 470 L CA -0.713 54.195 54.840 0.113 0.000 0.804 470 L CB 1.342 43.459 42.059 0.097 0.000 1.197 470 L HN 0.537 nan 8.230 nan 0.000 0.431 471 R N 1.982 122.476 120.500 -0.010 0.000 2.310 471 R HA 0.353 4.687 4.340 -0.010 0.000 0.324 471 R C -0.986 175.149 176.300 -0.275 0.000 0.955 471 R CA -0.253 55.663 56.100 -0.307 0.000 0.830 471 R CB 1.439 31.604 30.300 -0.225 0.000 1.154 471 R HN 0.582 nan 8.270 nan 0.000 0.458 472 c N 2.330 120.652 118.600 -0.464 0.000 2.264 472 c HA 0.440 5.004 4.570 -0.010 0.000 0.324 472 c C 0.796 174.680 174.090 -0.343 0.000 1.267 472 c CA -0.314 55.672 56.329 -0.571 0.000 1.618 472 c CB 0.390 42.484 42.510 -0.693 0.000 2.278 472 c HN 0.927 nan 8.230 nan 0.000 0.499 473 S N 3.156 118.742 115.700 -0.189 0.000 2.556 473 S HA 0.520 4.984 4.470 -0.010 0.000 0.216 473 S C 0.679 175.251 174.600 -0.046 0.000 0.970 473 S CA 0.559 58.706 58.200 -0.088 0.000 0.912 473 S CB 0.141 63.298 63.200 -0.071 0.000 0.790 473 S HN 1.364 nan 8.310 nan 0.000 0.504 474 G N 1.374 110.133 108.800 -0.069 0.000 2.341 474 G HA2 0.200 4.154 3.960 -0.010 0.000 0.293 474 G HA3 0.200 4.154 3.960 -0.010 0.000 0.293 474 G C -2.889 171.995 174.900 -0.026 0.000 1.298 474 G CA -0.614 44.479 45.100 -0.011 0.000 0.868 474 G HN -0.179 nan 8.290 nan 0.000 0.540 475 P HA 0.080 nan 4.420 nan 0.000 0.220 475 P C 1.402 178.720 177.300 0.030 0.000 1.148 475 P CA 1.705 64.833 63.100 0.048 0.000 0.803 475 P CB 0.099 31.825 31.700 0.044 0.000 0.782 476 G N 0.345 109.098 108.800 -0.079 0.000 2.535 476 G HA2 0.336 4.290 3.960 -0.010 0.000 0.282 476 G HA3 0.336 4.290 3.960 -0.010 0.000 0.282 476 G C -0.505 174.157 174.900 -0.396 0.000 1.350 476 G CA -0.481 44.486 45.100 -0.221 0.000 1.039 476 G HN -0.020 nan 8.290 nan 0.000 0.509 477 L N 1.343 122.256 121.223 -0.516 0.000 2.525 477 L HA 0.187 4.521 4.340 -0.010 0.000 0.278 477 L C -1.621 175.122 176.870 -0.212 0.000 1.218 477 L CA -1.139 53.407 54.840 -0.490 0.000 0.878 477 L CB 0.132 41.985 42.059 -0.344 0.000 1.127 477 L HN 0.223 nan 8.230 nan 0.000 0.492 478 P HA 0.102 nan 4.420 nan 0.000 0.266 478 P C -1.027 176.266 177.300 -0.011 0.000 1.193 478 P CA -0.065 63.013 63.100 -0.038 0.000 0.770 478 P CB 0.534 32.309 31.700 0.125 0.000 0.836 479 L N 4.413 125.563 121.223 -0.122 0.000 2.476 479 L HA 0.449 4.784 4.340 -0.010 0.000 0.269 479 L C -1.862 174.929 176.870 -0.132 0.000 0.965 479 L CA -0.648 54.167 54.840 -0.042 0.000 0.845 479 L CB 0.980 42.994 42.059 -0.074 0.000 1.259 479 L HN 0.255 nan 8.230 nan 0.000 0.403 480 Y N 3.052 123.322 120.300 -0.050 0.000 2.328 480 Y HA 0.704 5.248 4.550 -0.009 0.000 0.337 480 Y C 0.585 176.405 175.900 -0.133 0.000 0.966 480 Y CA -0.455 57.603 58.100 -0.070 0.000 1.136 480 Y CB 2.081 40.484 38.460 -0.094 0.000 1.170 480 Y HN 0.681 nan 8.280 nan 0.000 0.470 481 T N 1.730 116.312 114.554 0.046 0.000 2.916 481 T HA 0.655 4.999 4.350 -0.010 0.000 0.292 481 T C -1.400 173.265 174.700 -0.060 0.000 1.064 481 T CA -0.951 61.129 62.100 -0.034 0.000 1.011 481 T CB 1.986 70.914 68.868 0.101 0.000 1.152 481 T HN 0.498 nan 8.240 nan 0.000 0.510 482 L N 1.699 122.754 121.223 -0.281 0.000 2.365 482 L HA 0.580 4.915 4.340 -0.010 0.000 0.273 482 L C -0.993 175.584 176.870 -0.489 0.000 1.000 482 L CA -0.607 54.105 54.840 -0.214 0.000 0.819 482 L CB 1.675 43.634 42.059 -0.167 0.000 1.284 482 L HN 0.910 nan 8.230 nan 0.000 0.418 483 H N 1.540 120.429 119.070 -0.300 0.000 2.961 483 H HA 0.346 4.896 4.556 -0.010 0.000 0.371 483 H C -0.689 174.458 175.328 -0.301 0.000 1.190 483 H CA -0.705 55.074 56.048 -0.449 0.000 1.138 483 H CB 2.436 31.618 29.762 -0.966 0.000 1.816 483 H HN 0.558 nan 8.280 nan 0.000 0.551 484 S N 0.116 115.792 115.700 -0.039 0.000 2.475 484 S HA 0.170 4.634 4.470 -0.010 0.000 0.298 484 S C 0.955 175.524 174.600 -0.052 0.000 1.119 484 S CA -0.374 57.813 58.200 -0.021 0.000 1.085 484 S CB 1.630 64.843 63.200 0.021 0.000 1.028 484 S HN 0.687 nan 8.310 nan 0.000 0.489 485 S N 2.135 117.822 115.700 -0.021 0.000 2.558 485 S HA -0.025 4.439 4.470 -0.010 0.000 0.217 485 S C 1.523 176.157 174.600 0.056 0.000 0.975 485 S CA 0.379 58.673 58.200 0.157 0.000 0.912 485 S CB -0.285 63.069 63.200 0.256 0.000 0.776 485 S HN 0.785 nan 8.310 nan 0.000 0.526 486 V N 3.389 123.289 119.914 -0.022 0.000 2.407 486 V HA -0.160 3.954 4.120 -0.010 0.000 0.248 486 V C 1.561 177.661 176.094 0.011 0.000 1.055 486 V CA 2.354 64.651 62.300 -0.006 0.000 1.049 486 V CB -0.579 31.219 31.823 -0.041 0.000 0.662 486 V HN 0.848 nan 8.190 nan 0.000 0.455 487 N N -2.583 116.120 118.700 0.006 0.000 2.113 487 N HA 0.082 4.817 4.740 -0.010 0.000 0.223 487 N C -0.072 175.448 175.510 0.017 0.000 1.310 487 N CA 0.491 53.547 53.050 0.010 0.000 0.896 487 N CB 0.082 38.572 38.487 0.006 0.000 1.097 487 N HN 0.409 nan 8.380 nan 0.000 0.507 488 D N 0.424 120.849 120.400 0.042 0.000 2.705 488 D HA -0.178 4.456 4.640 -0.010 0.000 0.240 488 D C -0.614 175.722 176.300 0.061 0.000 1.137 488 D CA 0.836 54.885 54.000 0.080 0.000 0.677 488 D CB -0.768 40.074 40.800 0.071 0.000 1.049 488 D HN 0.564 nan 8.370 nan 0.000 0.427 489 K N 0.272 120.693 120.400 0.035 0.000 2.130 489 K HA 0.498 4.812 4.320 -0.010 0.000 0.268 489 K C 0.567 177.158 176.600 -0.016 0.000 0.983 489 K CA -0.406 55.889 56.287 0.013 0.000 0.893 489 K CB 1.162 33.657 32.500 -0.008 0.000 1.066 489 K HN 0.099 nan 8.250 nan 0.000 0.450 490 G N 4.548 113.315 108.800 -0.054 0.000 2.439 490 G HA2 0.156 4.110 3.960 -0.010 0.000 0.298 490 G HA3 0.156 4.110 3.960 -0.010 0.000 0.298 490 G C 0.778 175.529 174.900 -0.249 0.000 1.044 490 G CA -0.321 44.626 45.100 -0.254 0.000 1.168 490 G HN 0.668 nan 8.290 nan 0.000 0.433 491 L N 1.720 122.762 121.223 -0.302 0.000 1.988 491 L HA 0.165 4.499 4.340 -0.010 0.000 0.207 491 L C 1.811 178.575 176.870 -0.176 0.000 1.071 491 L CA 1.247 55.978 54.840 -0.182 0.000 0.744 491 L CB -0.174 41.805 42.059 -0.134 0.000 0.893 491 L HN 0.709 nan 8.230 nan 0.000 0.433 492 R N -1.841 118.520 120.500 -0.232 0.000 2.716 492 R HA 0.478 4.812 4.340 -0.010 0.000 0.271 492 R C -1.680 174.490 176.300 -0.217 0.000 1.028 492 R CA -0.874 55.116 56.100 -0.184 0.000 0.883 492 R CB 1.572 31.790 30.300 -0.136 0.000 1.250 492 R HN -0.256 nan 8.270 nan 0.000 0.465 493 V N 3.387 123.199 119.914 -0.169 0.000 2.385 493 V HA 0.189 4.303 4.120 -0.010 0.000 0.269 493 V C 1.172 177.128 176.094 -0.230 0.000 1.043 493 V CA -0.429 61.774 62.300 -0.162 0.000 0.906 493 V CB 1.058 32.821 31.823 -0.099 0.000 0.995 493 V HN 0.673 nan 8.190 nan 0.000 0.467 494 L N 2.730 123.744 121.223 -0.348 0.000 2.202 494 L HA 0.288 4.622 4.340 -0.010 0.000 0.205 494 L C 0.748 177.340 176.870 -0.463 0.000 1.083 494 L CA 0.753 55.172 54.840 -0.700 0.000 0.790 494 L CB 0.196 41.456 42.059 -1.331 0.000 0.942 494 L HN 0.659 nan 8.230 nan 0.000 0.452 495 E N -0.095 119.991 120.200 -0.190 0.000 2.397 495 E HA 0.090 4.434 4.350 -0.010 0.000 0.293 495 E C -1.242 175.402 176.600 0.072 0.000 0.930 495 E CA -0.315 56.070 56.400 -0.025 0.000 0.793 495 E CB 1.103 30.786 29.700 -0.028 0.000 1.259 495 E HN 0.157 nan 8.360 nan 0.000 0.406 496 D N 3.393 123.817 120.400 0.040 0.000 2.503 496 D HA 0.110 4.744 4.640 -0.010 0.000 0.218 496 D C -0.403 175.913 176.300 0.026 0.000 1.183 496 D CA -0.269 53.751 54.000 0.033 0.000 0.827 496 D CB -0.064 40.735 40.800 -0.001 0.000 1.034 496 D HN 0.446 nan 8.370 nan 0.000 0.510 497 N N 0.851 119.579 118.700 0.046 0.000 2.721 497 N HA -0.189 4.545 4.740 -0.010 0.000 0.249 497 N C 0.886 176.407 175.510 0.019 0.000 1.072 497 N CA 0.967 54.041 53.050 0.040 0.000 0.710 497 N CB -1.468 37.042 38.487 0.038 0.000 0.993 497 N HN 0.461 nan 8.380 nan 0.000 0.547 498 S N -1.275 114.435 115.700 0.018 0.000 2.423 498 S HA 0.021 4.486 4.470 -0.010 0.000 0.231 498 S C 2.100 176.718 174.600 0.029 0.000 1.014 498 S CA 0.766 58.974 58.200 0.014 0.000 0.965 498 S CB -0.035 63.171 63.200 0.011 0.000 0.785 498 S HN 0.541 nan 8.310 nan 0.000 0.495 499 A N 2.083 124.928 122.820 0.042 0.000 1.877 499 A HA 0.032 4.346 4.320 -0.010 0.000 0.216 499 A C 2.198 179.829 177.584 0.077 0.000 1.186 499 A CA 1.605 53.676 52.037 0.057 0.000 0.620 499 A CB -0.834 18.202 19.000 0.059 0.000 0.822 499 A HN 0.478 nan 8.150 nan 0.000 0.443 500 L N -0.111 121.162 121.223 0.083 0.000 2.093 500 L HA -0.105 4.229 4.340 -0.010 0.000 0.208 500 L C 1.905 178.820 176.870 0.074 0.000 1.085 500 L CA 2.515 57.423 54.840 0.113 0.000 0.755 500 L CB -0.568 41.561 42.059 0.116 0.000 0.904 500 L HN 0.417 nan 8.230 nan 0.000 0.435 501 D N -0.169 120.247 120.400 0.027 0.000 2.092 501 D HA -0.230 4.404 4.640 -0.010 0.000 0.193 501 D C 2.139 178.450 176.300 0.018 0.000 0.994 501 D CA 1.439 55.436 54.000 -0.005 0.000 0.828 501 D CB 0.057 40.843 40.800 -0.024 0.000 0.963 501 D HN 0.302 nan 8.370 nan 0.000 0.450 502 K N -0.462 119.959 120.400 0.036 0.000 2.020 502 K HA -0.180 4.134 4.320 -0.010 0.000 0.212 502 K C 2.411 179.052 176.600 0.068 0.000 1.050 502 K CA 1.432 57.746 56.287 0.045 0.000 0.929 502 K CB -0.184 32.345 32.500 0.048 0.000 0.714 502 K HN 0.241 nan 8.250 nan 0.000 0.443 503 M N 0.234 119.899 119.600 0.108 0.000 2.082 503 M HA -0.240 4.234 4.480 -0.010 0.000 0.258 503 M C 2.007 178.369 176.300 0.103 0.000 1.071 503 M CA 1.521 56.928 55.300 0.179 0.000 1.103 503 M CB -0.451 32.342 32.600 0.322 0.000 1.307 503 M HN 0.086 nan 8.290 nan 0.000 0.409 504 L N 0.311 121.546 121.223 0.019 0.000 2.456 504 L HA -0.147 4.187 4.340 -0.010 0.000 0.224 504 L C 2.318 179.164 176.870 -0.039 0.000 1.148 504 L CA 1.573 56.363 54.840 -0.083 0.000 0.825 504 L CB -0.915 41.095 42.059 -0.081 0.000 0.937 504 L HN 0.373 nan 8.230 nan 0.000 0.450 505 Q N -1.291 118.509 119.800 0.000 0.000 2.311 505 Q HA -0.121 4.214 4.340 -0.010 0.000 0.203 505 Q C 1.844 177.860 176.000 0.026 0.000 0.954 505 Q CA 0.665 56.474 55.803 0.010 0.000 0.885 505 Q CB -0.087 28.659 28.738 0.014 0.000 0.963 505 Q HN 0.560 nan 8.270 nan 0.000 0.471 506 N N 0.905 119.629 118.700 0.041 0.000 2.216 506 N HA -0.087 4.647 4.740 -0.010 0.000 0.183 506 N C 0.487 176.031 175.510 0.057 0.000 1.017 506 N CA 0.449 53.534 53.050 0.059 0.000 0.861 506 N CB 0.313 38.852 38.487 0.087 0.000 0.986 506 N HN 0.073 nan 8.380 nan 0.000 0.428 507 V N 2.069 122.000 119.914 0.028 0.000 2.509 507 V HA 0.184 4.298 4.120 -0.010 0.000 0.284 507 V C -0.458 175.639 176.094 0.006 0.000 1.047 507 V CA -0.605 61.707 62.300 0.020 0.000 0.952 507 V CB 1.216 33.019 31.823 -0.034 0.000 0.988 507 V HN 0.195 nan 8.190 nan 0.000 0.469 508 Q N 7.070 126.884 119.800 0.024 0.000 2.348 508 Q HA 0.315 4.650 4.340 -0.010 0.000 0.251 508 Q C -0.429 175.540 176.000 -0.052 0.000 1.113 508 Q CA -0.037 55.755 55.803 -0.018 0.000 0.902 508 Q CB 0.631 29.351 28.738 -0.030 0.000 1.333 508 Q HN 0.629 nan 8.270 nan 0.000 0.457 509 M N 3.966 123.527 119.600 -0.066 0.000 2.342 509 M HA 0.408 4.882 4.480 -0.010 0.000 0.332 509 M C -2.121 174.116 176.300 -0.105 0.000 1.166 509 M CA -2.591 52.662 55.300 -0.079 0.000 1.086 509 M CB 0.390 32.955 32.600 -0.058 0.000 1.541 509 M HN 0.376 nan 8.290 nan 0.000 0.462 510 P HA 0.214 nan 4.420 nan 0.000 0.277 510 P C -0.746 176.485 177.300 -0.116 0.000 1.240 510 P CA -0.353 62.664 63.100 -0.140 0.000 0.798 510 P CB 0.480 32.083 31.700 -0.163 0.000 0.979 511 S N 0.684 116.305 115.700 -0.131 0.000 2.687 511 S HA 0.489 4.953 4.470 -0.010 0.000 0.283 511 S C -0.283 174.239 174.600 -0.130 0.000 1.170 511 S CA -0.784 57.354 58.200 -0.103 0.000 1.008 511 S CB 1.368 64.513 63.200 -0.093 0.000 1.026 511 S HN 0.453 nan 8.310 nan 0.000 0.541 512 K N 0.754 121.104 120.400 -0.084 0.000 2.358 512 K HA 0.319 4.633 4.320 -0.010 0.000 0.260 512 K C -1.097 175.461 176.600 -0.070 0.000 0.956 512 K CA -0.462 55.779 56.287 -0.078 0.000 0.834 512 K CB 1.092 33.573 32.500 -0.032 0.000 1.102 512 K HN 0.732 nan 8.250 nan 0.000 0.431 513 K N 5.989 126.332 120.400 -0.094 0.000 2.240 513 K HA 0.246 4.560 4.320 -0.010 0.000 0.271 513 K C -1.214 175.347 176.600 -0.065 0.000 1.018 513 K CA -0.684 55.559 56.287 -0.072 0.000 0.874 513 K CB 0.865 33.308 32.500 -0.094 0.000 1.098 513 K HN 0.455 nan 8.250 nan 0.000 0.458 514 L N 5.080 126.281 121.223 -0.038 0.000 2.318 514 L HA 0.445 4.779 4.340 -0.010 0.000 0.277 514 L C -1.342 175.531 176.870 0.006 0.000 1.008 514 L CA 0.030 54.868 54.840 -0.003 0.000 0.846 514 L CB 0.962 43.087 42.059 0.111 0.000 1.220 514 L HN 0.890 nan 8.230 nan 0.000 0.423 515 D N 3.805 123.993 120.400 -0.353 0.000 2.867 515 D HA 0.564 5.198 4.640 -0.010 0.000 0.308 515 D C -1.377 174.544 176.300 -0.631 0.000 1.202 515 D CA 0.034 53.768 54.000 -0.443 0.000 1.035 515 D CB 2.111 42.637 40.800 -0.456 0.000 1.427 515 D HN 0.282 nan 8.370 nan 0.000 0.570 516 F N -0.098 119.471 119.950 -0.636 0.000 2.599 516 F HA 0.678 5.200 4.527 -0.009 0.000 0.311 516 F C -0.677 175.160 175.800 0.063 0.000 1.076 516 F CA -1.106 56.613 58.000 -0.468 0.000 0.937 516 F CB 0.815 39.070 39.000 -1.242 0.000 1.282 516 F HN 0.273 nan 8.300 nan 0.000 0.460 517 I N 0.664 121.482 120.570 0.413 0.000 2.910 517 I HA 0.672 4.836 4.170 -0.010 0.000 0.310 517 I C -1.119 175.239 176.117 0.401 0.000 1.043 517 I CA -1.219 60.272 61.300 0.317 0.000 1.053 517 I CB 2.132 40.297 38.000 0.276 0.000 1.242 517 I HN 0.468 nan 8.210 nan 0.000 0.452 518 I N 4.235 124.976 120.570 0.284 0.000 2.354 518 I HA 0.470 4.634 4.170 -0.010 0.000 0.292 518 I C -0.773 175.491 176.117 0.244 0.000 0.989 518 I CA -0.510 60.953 61.300 0.273 0.000 1.188 518 I CB 1.342 39.459 38.000 0.194 0.000 1.342 518 I HN 0.419 nan 8.210 nan 0.000 0.457 519 L N 6.541 127.961 121.223 0.329 0.000 2.406 519 L HA 0.445 4.779 4.340 -0.010 0.000 0.272 519 L C 0.028 177.038 176.870 0.235 0.000 0.980 519 L CA -0.375 54.617 54.840 0.254 0.000 0.831 519 L CB 1.156 43.365 42.059 0.249 0.000 1.253 519 L HN 0.460 nan 8.230 nan 0.000 0.406 520 N N 2.769 121.545 118.700 0.127 0.000 2.707 520 N HA -0.257 4.477 4.740 -0.010 0.000 0.253 520 N C 0.325 175.885 175.510 0.084 0.000 0.998 520 N CA 1.278 54.381 53.050 0.089 0.000 0.751 520 N CB -0.905 37.626 38.487 0.073 0.000 0.920 520 N HN 0.828 nan 8.380 nan 0.000 0.539 521 E N -3.357 116.893 120.200 0.083 0.000 3.065 521 E HA -0.257 4.087 4.350 -0.010 0.000 0.277 521 E C -0.672 175.948 176.600 0.034 0.000 1.008 521 E CA 1.481 57.915 56.400 0.058 0.000 0.864 521 E CB -1.101 28.620 29.700 0.035 0.000 1.439 521 E HN 0.493 nan 8.360 nan 0.000 0.445 522 T N 0.416 114.999 114.554 0.050 0.000 2.823 522 T HA 0.362 4.706 4.350 -0.010 0.000 0.279 522 T C -0.032 174.591 174.700 -0.128 0.000 0.998 522 T CA -0.737 61.311 62.100 -0.087 0.000 0.994 522 T CB 1.445 70.219 68.868 -0.157 0.000 0.960 522 T HN -0.004 nan 8.240 nan 0.000 0.448 523 K N 2.035 122.283 120.400 -0.252 0.000 2.249 523 K HA 0.451 4.765 4.320 -0.010 0.000 0.280 523 K C -1.084 175.288 176.600 -0.380 0.000 1.033 523 K CA -0.113 56.041 56.287 -0.221 0.000 0.946 523 K CB 0.521 32.775 32.500 -0.411 0.000 1.005 523 K HN 0.404 nan 8.250 nan 0.000 0.469 524 F N 1.874 121.893 119.950 0.116 0.000 2.539 524 F HA 0.296 4.818 4.527 -0.009 0.000 0.318 524 F C -0.709 175.176 175.800 0.142 0.000 1.135 524 F CA -0.731 57.349 58.000 0.133 0.000 0.915 524 F CB 1.005 40.124 39.000 0.198 0.000 1.176 524 F HN 0.435 nan 8.300 nan 0.000 0.440 525 W N 4.005 125.436 121.300 0.217 0.000 2.313 525 W HA 0.526 5.180 4.660 -0.010 0.000 0.328 525 W C -0.612 176.064 176.519 0.262 0.000 1.197 525 W CA -0.533 56.950 57.345 0.230 0.000 1.235 525 W CB 0.759 30.291 29.460 0.120 0.000 1.158 525 W HN 0.443 nan 8.180 nan 0.000 0.578 526 Y N -0.195 120.410 120.300 0.508 0.000 2.615 526 Y HA 0.667 5.211 4.550 -0.010 0.000 0.341 526 Y C -1.041 175.073 175.900 0.357 0.000 1.089 526 Y CA -1.883 56.512 58.100 0.493 0.000 1.049 526 Y CB 1.197 40.109 38.460 0.755 0.000 1.296 526 Y HN 0.559 nan 8.280 nan 0.000 0.470 527 Q N 2.407 122.435 119.800 0.381 0.000 2.389 527 Q HA 0.738 5.072 4.340 -0.010 0.000 0.277 527 Q C -1.816 174.301 176.000 0.195 0.000 1.082 527 Q CA -1.129 54.782 55.803 0.179 0.000 0.810 527 Q CB 3.251 32.067 28.738 0.130 0.000 1.374 527 Q HN 0.864 nan 8.270 nan 0.000 0.422 528 M N 2.685 122.327 119.600 0.070 0.000 2.326 528 M HA 0.444 4.919 4.480 -0.010 0.000 0.306 528 M C -1.121 175.108 176.300 -0.118 0.000 1.054 528 M CA -0.968 54.306 55.300 -0.044 0.000 0.922 528 M CB 2.112 34.637 32.600 -0.125 0.000 1.632 528 M HN 0.610 nan 8.290 nan 0.000 0.436 529 I N 5.306 125.800 120.570 -0.125 0.000 2.281 529 I HA 0.300 4.464 4.170 -0.010 0.000 0.293 529 I C -0.391 175.571 176.117 -0.259 0.000 1.085 529 I CA -0.172 61.029 61.300 -0.165 0.000 1.257 529 I CB -0.285 37.638 38.000 -0.130 0.000 1.430 529 I HN 0.629 nan 8.210 nan 0.000 0.489 530 L N 8.295 129.308 121.223 -0.350 0.000 2.312 530 L HA 0.429 4.764 4.340 -0.010 0.000 0.281 530 L C -2.123 174.531 176.870 -0.359 0.000 1.070 530 L CA -1.787 52.727 54.840 -0.544 0.000 0.805 530 L CB 0.877 42.420 42.059 -0.860 0.000 1.174 530 L HN 0.257 nan 8.230 nan 0.000 0.434 531 P HA 0.059 nan 4.420 nan 0.000 0.268 531 P C -2.447 174.779 177.300 -0.123 0.000 1.208 531 P CA -0.927 62.078 63.100 -0.159 0.000 0.777 531 P CB -0.286 31.383 31.700 -0.051 0.000 0.875 532 P HA -0.094 nan 4.420 nan 0.000 0.267 532 P C -0.151 176.974 177.300 -0.292 0.000 1.200 532 P CA 0.782 63.677 63.100 -0.342 0.000 0.772 532 P CB -0.127 31.245 31.700 -0.546 0.000 0.855 533 H N -1.403 117.710 119.070 0.072 0.000 2.741 533 H HA -0.211 4.339 4.556 -0.010 0.000 0.305 533 H C 0.113 175.509 175.328 0.113 0.000 1.169 533 H CA 0.021 56.114 56.048 0.074 0.000 1.144 533 H CB -2.733 27.064 29.762 0.059 0.000 1.397 533 H HN 0.406 nan 8.280 nan 0.000 0.409 534 F N 2.461 122.413 119.950 0.003 0.000 2.612 534 F HA 0.138 4.659 4.527 -0.010 0.000 0.389 534 F C 0.557 176.362 175.800 0.008 0.000 1.055 534 F CA -0.147 57.803 58.000 -0.082 0.000 1.232 534 F CB 0.539 39.378 39.000 -0.269 0.000 1.044 534 F HN 0.159 nan 8.300 nan 0.000 0.560 535 D N 6.649 126.730 120.400 -0.532 0.000 2.460 535 D HA 0.097 4.732 4.640 -0.010 0.000 0.232 535 D C 0.856 176.755 176.300 -0.668 0.000 1.079 535 D CA -0.435 53.310 54.000 -0.425 0.000 0.864 535 D CB 1.053 41.795 40.800 -0.097 0.000 1.048 535 D HN 0.743 nan 8.370 nan 0.000 0.523 536 K N 1.054 121.028 120.400 -0.709 0.000 2.366 536 K HA -0.188 4.126 4.320 -0.010 0.000 0.202 536 K C 0.995 177.549 176.600 -0.077 0.000 1.045 536 K CA 1.576 57.614 56.287 -0.414 0.000 0.934 536 K CB -0.117 32.269 32.500 -0.191 0.000 0.746 536 K HN 0.212 nan 8.250 nan 0.000 0.470 537 S N -0.893 114.755 115.700 -0.086 0.000 2.559 537 S HA 0.194 4.659 4.470 -0.010 0.000 0.226 537 S C 0.423 175.011 174.600 -0.020 0.000 1.000 537 S CA -0.722 57.468 58.200 -0.018 0.000 0.948 537 S CB 0.271 63.451 63.200 -0.033 0.000 0.870 537 S HN 0.168 nan 8.310 nan 0.000 0.497 538 K N 1.589 121.967 120.400 -0.038 0.000 2.107 538 K HA 0.313 4.627 4.320 -0.010 0.000 0.251 538 K C -0.583 175.996 176.600 -0.036 0.000 1.012 538 K CA -0.457 55.764 56.287 -0.110 0.000 0.920 538 K CB 0.503 32.831 32.500 -0.286 0.000 1.033 538 K HN -0.018 nan 8.250 nan 0.000 0.478 539 K N 3.045 123.366 120.400 -0.131 0.000 2.299 539 K HA 0.185 4.499 4.320 -0.010 0.000 0.268 539 K C -1.038 175.495 176.600 -0.112 0.000 1.075 539 K CA -0.291 55.970 56.287 -0.044 0.000 0.936 539 K CB 0.436 32.898 32.500 -0.062 0.000 1.228 539 K HN 0.414 nan 8.250 nan 0.000 0.454 540 Y N 3.553 123.890 120.300 0.062 0.000 2.310 540 Y HA 0.199 4.744 4.550 -0.010 0.000 0.326 540 Y C -1.613 174.235 175.900 -0.088 0.000 1.151 540 Y CA -1.997 56.120 58.100 0.029 0.000 1.195 540 Y CB 0.743 39.294 38.460 0.152 0.000 1.210 540 Y HN 0.433 nan 8.280 nan 0.000 0.483 541 P HA 0.149 nan 4.420 nan 0.000 0.275 541 P C -1.072 176.085 177.300 -0.238 0.000 1.228 541 P CA -0.150 62.693 63.100 -0.429 0.000 0.786 541 P CB 1.533 32.710 31.700 -0.872 0.000 0.927 542 L N 2.808 123.899 121.223 -0.220 0.000 2.381 542 L HA 0.608 4.942 4.340 -0.010 0.000 0.268 542 L C -1.403 175.644 176.870 0.296 0.000 0.997 542 L CA -1.196 53.679 54.840 0.057 0.000 0.818 542 L CB 2.018 44.119 42.059 0.070 0.000 1.310 542 L HN 0.159 nan 8.230 nan 0.000 0.416 543 L N 4.957 126.375 121.223 0.325 0.000 2.342 543 L HA 0.487 4.821 4.340 -0.010 0.000 0.276 543 L C -1.372 175.741 176.870 0.404 0.000 0.997 543 L CA -0.382 54.712 54.840 0.424 0.000 0.838 543 L CB 1.570 43.838 42.059 0.348 0.000 1.224 543 L HN 0.606 nan 8.230 nan 0.000 0.416 544 L N 5.007 126.519 121.223 0.481 0.000 2.325 544 L HA 0.363 4.697 4.340 -0.010 0.000 0.284 544 L C -0.415 176.701 176.870 0.410 0.000 1.089 544 L CA 0.338 55.450 54.840 0.453 0.000 0.836 544 L CB 0.297 42.669 42.059 0.522 0.000 1.184 544 L HN 0.617 nan 8.230 nan 0.000 0.444 545 D N 4.337 124.954 120.400 0.362 0.000 2.316 545 D HA 0.229 4.864 4.640 -0.010 0.000 0.245 545 D C -0.987 175.409 176.300 0.160 0.000 1.171 545 D CA 0.084 54.226 54.000 0.237 0.000 0.856 545 D CB 1.253 42.257 40.800 0.339 0.000 1.090 545 D HN 0.327 nan 8.370 nan 0.000 0.476 546 V N 6.266 126.200 119.914 0.032 0.000 2.680 546 V HA 0.382 4.497 4.120 -0.010 0.000 0.309 546 V C -0.851 175.356 176.094 0.189 0.000 1.052 546 V CA -0.509 61.882 62.300 0.150 0.000 0.908 546 V CB 1.715 33.638 31.823 0.167 0.000 1.001 546 V HN 0.620 nan 8.190 nan 0.000 0.431 547 Y N 5.363 125.743 120.300 0.133 0.000 3.059 547 Y HA 0.490 5.034 4.550 -0.009 0.000 0.212 547 Y C 1.538 177.583 175.900 0.241 0.000 0.947 547 Y CA 1.181 59.386 58.100 0.174 0.000 1.571 547 Y CB -0.117 38.428 38.460 0.141 0.000 1.432 547 Y HN 1.249 nan 8.280 nan 0.000 0.450 548 A N 0.979 123.885 122.820 0.144 0.000 2.861 548 A HA -0.160 4.155 4.320 -0.010 0.000 0.261 548 A C 1.069 178.503 177.584 -0.250 0.000 1.351 548 A CA 1.146 53.197 52.037 0.024 0.000 0.904 548 A CB -2.435 16.706 19.000 0.235 0.000 1.076 548 A HN 0.969 nan 8.150 nan 0.000 0.729 549 G N -0.970 107.408 108.800 -0.704 0.000 2.634 549 G HA2 0.481 4.435 3.960 -0.010 0.000 0.255 549 G HA3 0.481 4.435 3.960 -0.010 0.000 0.255 549 G C -2.289 172.153 174.900 -0.764 0.000 1.205 549 G CA -0.814 43.562 45.100 -1.206 0.000 0.884 549 G HN 0.297 nan 8.290 nan 0.000 0.549 550 P HA 0.106 nan 4.420 nan 0.000 0.263 550 P C 0.554 177.601 177.300 -0.422 0.000 1.195 550 P CA 0.037 62.764 63.100 -0.621 0.000 0.762 550 P CB 0.757 31.666 31.700 -1.318 0.000 0.799 551 C N 2.456 121.575 119.300 -0.302 0.000 4.417 551 C HA -0.152 4.302 4.460 -0.010 0.000 0.284 551 C C 0.952 175.832 174.990 -0.183 0.000 1.379 551 C CA 1.173 60.002 59.018 -0.314 0.000 1.918 551 C CB -2.720 24.724 27.740 -0.492 0.000 1.280 551 C HN 0.792 nan 8.230 nan 0.000 0.783 552 S N 0.093 115.618 115.700 -0.292 0.000 2.617 552 S HA 0.558 5.022 4.470 -0.010 0.000 0.269 552 S C -0.631 173.926 174.600 -0.073 0.000 1.292 552 S CA 0.032 58.018 58.200 -0.358 0.000 1.010 552 S CB 1.670 64.206 63.200 -1.107 0.000 0.944 552 S HN 0.772 nan 8.310 nan 0.000 0.536 553 Q N 0.257 120.126 119.800 0.115 0.000 2.295 553 Q HA 0.362 4.696 4.340 -0.010 0.000 0.259 553 Q C -0.684 175.445 176.000 0.215 0.000 0.966 553 Q CA -0.607 55.320 55.803 0.207 0.000 0.763 553 Q CB 1.042 30.003 28.738 0.372 0.000 1.283 553 Q HN 0.704 nan 8.270 nan 0.000 0.445 554 K N 1.044 121.558 120.400 0.190 0.000 2.373 554 K HA 0.329 4.643 4.320 -0.010 0.000 0.200 554 K C -0.430 176.287 176.600 0.195 0.000 1.054 554 K CA 0.232 56.646 56.287 0.211 0.000 1.065 554 K CB 1.564 34.209 32.500 0.241 0.000 0.886 554 K HN 0.497 nan 8.250 nan 0.000 0.546 555 A N 2.881 125.817 122.820 0.193 0.000 2.322 555 A HA 0.401 4.716 4.320 -0.010 0.000 0.327 555 A C -0.694 176.970 177.584 0.133 0.000 1.394 555 A CA -0.484 51.669 52.037 0.194 0.000 0.921 555 A CB 0.022 19.189 19.000 0.278 0.000 1.153 555 A HN 0.233 nan 8.150 nan 0.000 0.523 556 D N -0.019 120.441 120.400 0.101 0.000 2.798 556 D HA 0.462 5.096 4.640 -0.010 0.000 0.308 556 D C 0.328 176.663 176.300 0.057 0.000 1.187 556 D CA 0.286 54.337 54.000 0.086 0.000 1.033 556 D CB 0.382 41.250 40.800 0.114 0.000 1.445 556 D HN 0.160 nan 8.370 nan 0.000 0.550 557 T N -2.312 112.297 114.554 0.092 0.000 3.214 557 T HA 0.366 4.711 4.350 -0.010 0.000 0.264 557 T C 0.219 174.911 174.700 -0.013 0.000 1.012 557 T CA -0.434 61.710 62.100 0.074 0.000 0.901 557 T CB -0.715 68.230 68.868 0.128 0.000 1.070 557 T HN 0.253 nan 8.240 nan 0.000 0.561 558 V N 2.581 122.378 119.914 -0.195 0.000 2.614 558 V HA 0.362 4.476 4.120 -0.010 0.000 0.291 558 V C 0.048 176.099 176.094 -0.071 0.000 1.049 558 V CA -0.907 61.228 62.300 -0.274 0.000 1.038 558 V CB 0.300 31.836 31.823 -0.479 0.000 0.980 558 V HN 0.612 nan 8.190 nan 0.000 0.481 559 F N 6.375 126.240 119.950 -0.141 0.000 2.420 559 F HA 0.580 5.101 4.527 -0.010 0.000 0.352 559 F C 0.419 176.170 175.800 -0.082 0.000 1.108 559 F CA -0.255 57.687 58.000 -0.097 0.000 1.162 559 F CB 0.332 39.283 39.000 -0.081 0.000 1.118 559 F HN 0.418 nan 8.300 nan 0.000 0.510 560 R N 6.264 126.238 120.500 -0.876 0.000 2.750 560 R HA 0.600 4.934 4.340 -0.010 0.000 0.281 560 R C -1.581 174.238 176.300 -0.800 0.000 0.972 560 R CA -1.090 54.629 56.100 -0.635 0.000 0.912 560 R CB 2.151 32.273 30.300 -0.297 0.000 1.187 560 R HN 0.684 nan 8.270 nan 0.000 0.464 561 L N 3.894 124.855 121.223 -0.437 0.000 2.337 561 L HA 0.398 4.732 4.340 -0.010 0.000 0.269 561 L C -0.789 176.038 176.870 -0.072 0.000 1.018 561 L CA -0.652 54.005 54.840 -0.305 0.000 0.876 561 L CB 0.597 42.605 42.059 -0.084 0.000 1.236 561 L HN 0.754 nan 8.230 nan 0.000 0.436 562 N N -0.214 118.354 118.700 -0.220 0.000 3.343 562 N HA 0.199 4.934 4.740 -0.010 0.000 0.330 562 N C 0.225 175.365 175.510 -0.618 0.000 1.560 562 N CA -0.935 51.852 53.050 -0.439 0.000 0.752 562 N CB 0.187 38.569 38.487 -0.174 0.000 1.863 562 N HN 0.272 nan 8.380 nan 0.000 0.636 563 W N 0.493 121.163 121.300 -1.050 0.000 2.325 563 W HA 0.030 4.684 4.660 -0.010 0.000 0.299 563 W C 1.983 178.475 176.519 -0.045 0.000 1.215 563 W CA 2.895 59.947 57.345 -0.489 0.000 1.244 563 W CB -0.938 28.361 29.460 -0.268 0.000 1.140 563 W HN 0.703 nan 8.180 nan 0.000 0.523 564 A N -0.700 122.081 122.820 -0.066 0.000 1.930 564 A HA -0.178 4.136 4.320 -0.010 0.000 0.217 564 A C 1.949 179.422 177.584 -0.184 0.000 1.175 564 A CA 2.360 54.298 52.037 -0.165 0.000 0.627 564 A CB -1.284 17.706 19.000 -0.016 0.000 0.815 564 A HN 0.286 nan 8.150 nan 0.000 0.443 565 T N -1.056 113.397 114.554 -0.168 0.000 2.665 565 T HA -0.257 4.087 4.350 -0.010 0.000 0.268 565 T C 1.782 176.476 174.700 -0.010 0.000 1.035 565 T CA 1.832 63.803 62.100 -0.214 0.000 1.151 565 T CB -0.570 67.994 68.868 -0.506 0.000 0.862 565 T HN 0.708 nan 8.240 nan 0.000 0.438 566 Y N 1.733 122.086 120.300 0.089 0.000 2.181 566 Y HA -0.043 4.501 4.550 -0.010 0.000 0.288 566 Y C 1.993 177.876 175.900 -0.028 0.000 1.146 566 Y CA 1.042 59.250 58.100 0.179 0.000 1.164 566 Y CB -0.499 38.075 38.460 0.189 0.000 0.982 566 Y HN 0.101 nan 8.280 nan 0.000 0.515 567 L N 0.295 121.128 121.223 -0.650 0.000 2.141 567 L HA -0.151 4.183 4.340 -0.010 0.000 0.209 567 L C 2.819 179.459 176.870 -0.384 0.000 1.094 567 L CA 1.082 55.481 54.840 -0.734 0.000 0.763 567 L CB -0.772 40.868 42.059 -0.699 0.000 0.908 567 L HN 0.420 nan 8.230 nan 0.000 0.437 568 A N -1.166 121.496 122.820 -0.263 0.000 1.898 568 A HA -0.156 4.158 4.320 -0.010 0.000 0.214 568 A C 2.508 180.015 177.584 -0.129 0.000 1.183 568 A CA 1.624 53.554 52.037 -0.178 0.000 0.622 568 A CB -0.546 18.345 19.000 -0.182 0.000 0.824 568 A HN 0.326 nan 8.150 nan 0.000 0.444 569 S N -0.965 114.675 115.700 -0.100 0.000 2.345 569 S HA -0.117 4.347 4.470 -0.010 0.000 0.220 569 S C 2.034 176.632 174.600 -0.004 0.000 1.031 569 S CA 2.285 60.470 58.200 -0.026 0.000 0.996 569 S CB -0.511 62.733 63.200 0.074 0.000 0.882 569 S HN 0.546 nan 8.310 nan 0.000 0.445 570 T N 1.496 116.037 114.554 -0.022 0.000 2.901 570 T HA 0.157 4.501 4.350 -0.010 0.000 0.252 570 T C 1.429 176.095 174.700 -0.056 0.000 1.035 570 T CA 0.753 62.857 62.100 0.008 0.000 1.142 570 T CB -0.160 68.786 68.868 0.129 0.000 0.869 570 T HN 0.358 nan 8.240 nan 0.000 0.442 571 E N 1.095 121.180 120.200 -0.192 0.000 2.474 571 E HA 0.158 4.502 4.350 -0.010 0.000 0.195 571 E C -0.143 176.439 176.600 -0.031 0.000 1.039 571 E CA -0.092 56.231 56.400 -0.128 0.000 0.881 571 E CB -0.263 29.294 29.700 -0.237 0.000 0.970 571 E HN 0.504 nan 8.360 nan 0.000 0.486 572 N N 0.749 119.444 118.700 -0.007 0.000 2.714 572 N HA -0.197 4.538 4.740 -0.010 0.000 0.253 572 N C -1.001 174.605 175.510 0.160 0.000 1.024 572 N CA 0.319 53.440 53.050 0.117 0.000 0.726 572 N CB -1.218 37.388 38.487 0.198 0.000 0.908 572 N HN 0.203 nan 8.380 nan 0.000 0.542 573 I N 0.792 121.380 120.570 0.031 0.000 2.404 573 I HA 0.347 4.511 4.170 -0.010 0.000 0.293 573 I C 0.500 176.594 176.117 -0.038 0.000 0.992 573 I CA -0.841 60.480 61.300 0.035 0.000 1.149 573 I CB 1.332 39.353 38.000 0.035 0.000 1.315 573 I HN 0.064 nan 8.210 nan 0.000 0.446 574 I N 6.804 127.355 120.570 -0.031 0.000 2.452 574 I HA 0.089 4.253 4.170 -0.010 0.000 0.287 574 I C -0.000 176.098 176.117 -0.032 0.000 1.079 574 I CA -0.074 61.159 61.300 -0.111 0.000 1.387 574 I CB 0.968 38.905 38.000 -0.106 0.000 1.404 574 I HN 0.273 nan 8.210 nan 0.000 0.522 575 V N 7.686 127.569 119.914 -0.051 0.000 2.328 575 V HA 0.767 4.882 4.120 -0.010 0.000 0.278 575 V C 0.167 176.291 176.094 0.049 0.000 1.021 575 V CA -0.165 62.159 62.300 0.040 0.000 0.838 575 V CB 1.061 32.908 31.823 0.039 0.000 0.999 575 V HN 0.793 nan 8.190 nan 0.000 0.447 576 A N 5.053 127.936 122.820 0.105 0.000 2.320 576 A HA 0.933 5.247 4.320 -0.010 0.000 0.334 576 A C -0.066 177.686 177.584 0.281 0.000 1.147 576 A CA -0.539 51.567 52.037 0.114 0.000 0.820 576 A CB 1.814 20.761 19.000 -0.088 0.000 1.218 576 A HN 0.929 nan 8.150 nan 0.000 0.482 577 S N -0.289 115.618 115.700 0.345 0.000 2.549 577 S HA 0.738 5.202 4.470 -0.010 0.000 0.280 577 S C -1.478 173.467 174.600 0.576 0.000 1.109 577 S CA -0.281 58.162 58.200 0.406 0.000 0.905 577 S CB 1.251 64.633 63.200 0.303 0.000 1.081 577 S HN 0.746 nan 8.310 nan 0.000 0.477 578 F N 1.873 122.054 119.950 0.386 0.000 2.561 578 F HA 0.473 4.994 4.527 -0.010 0.000 0.313 578 F C -1.541 174.448 175.800 0.315 0.000 1.126 578 F CA -0.691 57.559 58.000 0.416 0.000 0.918 578 F CB 1.480 40.709 39.000 0.381 0.000 1.199 578 F HN 0.377 nan 8.300 nan 0.000 0.444 579 D N 4.785 124.955 120.400 -0.383 0.000 2.467 579 D HA 0.346 4.980 4.640 -0.010 0.000 0.220 579 D C 0.424 176.417 176.300 -0.511 0.000 1.103 579 D CA 0.132 53.976 54.000 -0.259 0.000 0.886 579 D CB 1.374 42.172 40.800 -0.004 0.000 1.025 579 D HN 0.763 nan 8.370 nan 0.000 0.514 580 G N 1.267 109.897 108.800 -0.284 0.000 2.714 580 G HA2 0.251 4.205 3.960 -0.010 0.000 0.197 580 G HA3 0.251 4.205 3.960 -0.010 0.000 0.197 580 G C 0.192 175.188 174.900 0.160 0.000 1.449 580 G CA -0.652 44.402 45.100 -0.077 0.000 1.065 580 G HN 0.273 nan 8.290 nan 0.000 0.575 581 R N -0.629 119.944 120.500 0.121 0.000 2.590 581 R HA 0.397 4.731 4.340 -0.010 0.000 0.274 581 R C 1.185 177.566 176.300 0.136 0.000 1.061 581 R CA 1.308 57.522 56.100 0.190 0.000 1.081 581 R CB 0.643 31.019 30.300 0.127 0.000 0.984 581 R HN 1.001 nan 8.270 nan 0.000 0.448 582 G N 1.086 109.942 108.800 0.092 0.000 2.234 582 G HA2 -0.336 3.618 3.960 -0.010 0.000 0.235 582 G HA3 -0.336 3.618 3.960 -0.010 0.000 0.235 582 G C 0.179 175.040 174.900 -0.064 0.000 0.997 582 G CA 0.219 45.334 45.100 0.025 0.000 0.623 582 G HN 0.730 nan 8.290 nan 0.000 0.514 583 S N 0.389 116.065 115.700 -0.040 0.000 2.589 583 S HA 0.625 5.089 4.470 -0.010 0.000 0.265 583 S C 0.907 175.420 174.600 -0.145 0.000 1.342 583 S CA 0.538 58.684 58.200 -0.090 0.000 1.005 583 S CB 1.661 64.852 63.200 -0.015 0.000 0.909 583 S HN 1.692 nan 8.310 nan 0.000 0.555 584 G N -0.773 107.893 108.800 -0.223 0.000 2.531 584 G HA2 0.491 4.445 3.960 -0.010 0.000 0.313 584 G HA3 0.491 4.445 3.960 -0.010 0.000 0.313 584 G C -0.813 173.906 174.900 -0.302 0.000 1.238 584 G CA -1.077 43.742 45.100 -0.467 0.000 0.994 584 G HN 1.059 nan 8.290 nan 0.000 0.493 585 Y N -2.328 117.953 120.300 -0.032 0.000 4.177 585 Y HA -0.238 4.306 4.550 -0.010 0.000 0.227 585 Y C 1.284 177.178 175.900 -0.009 0.000 1.154 585 Y CA 1.005 59.100 58.100 -0.010 0.000 1.887 585 Y CB -2.014 36.463 38.460 0.027 0.000 1.594 585 Y HN 0.529 nan 8.280 nan 0.000 0.668 586 Q N -0.060 119.745 119.800 0.008 0.000 2.057 586 Q HA 0.478 4.812 4.340 -0.010 0.000 0.216 586 Q C 0.840 176.725 176.000 -0.192 0.000 0.788 586 Q CA 0.152 55.962 55.803 0.012 0.000 1.053 586 Q CB 1.833 30.562 28.738 -0.015 0.000 1.210 586 Q HN 0.587 nan 8.270 nan 0.000 0.455 587 G N 0.800 109.366 108.800 -0.391 0.000 2.662 587 G HA2 -0.176 3.778 3.960 -0.010 0.000 0.686 587 G HA3 -0.176 3.778 3.960 -0.010 0.000 0.686 587 G C -0.526 174.005 174.900 -0.615 0.000 1.271 587 G CA -0.515 44.098 45.100 -0.813 0.000 0.816 587 G HN 0.091 nan 8.290 nan 0.000 0.608 588 D N 0.055 120.053 120.400 -0.669 0.000 2.224 588 D HA -0.038 4.596 4.640 -0.010 0.000 0.205 588 D C 2.265 178.260 176.300 -0.509 0.000 0.965 588 D CA 1.413 54.962 54.000 -0.752 0.000 0.852 588 D CB 0.014 40.358 40.800 -0.761 0.000 0.947 588 D HN 0.572 nan 8.370 nan 0.000 0.494 589 K N 1.251 121.418 120.400 -0.388 0.000 2.044 589 K HA -0.135 4.179 4.320 -0.010 0.000 0.210 589 K C 1.889 178.381 176.600 -0.180 0.000 1.049 589 K CA 1.224 57.369 56.287 -0.236 0.000 0.927 589 K CB -0.506 31.869 32.500 -0.209 0.000 0.713 589 K HN 0.137 nan 8.250 nan 0.000 0.443 590 I N -0.110 120.336 120.570 -0.207 0.000 2.277 590 I HA -0.164 4.001 4.170 -0.010 0.000 0.243 590 I C 2.655 178.709 176.117 -0.105 0.000 1.094 590 I CA 1.222 62.458 61.300 -0.107 0.000 1.393 590 I CB -0.173 37.765 38.000 -0.104 0.000 1.078 590 I HN 0.315 nan 8.210 nan 0.000 0.417 591 M N 0.182 119.637 119.600 -0.241 0.000 2.086 591 M HA -0.241 4.233 4.480 -0.010 0.000 0.261 591 M C 1.878 178.121 176.300 -0.096 0.000 1.067 591 M CA 2.016 57.175 55.300 -0.235 0.000 1.116 591 M CB -0.326 32.014 32.600 -0.432 0.000 1.348 591 M HN 0.254 nan 8.290 nan 0.000 0.407 592 H N -0.671 118.264 119.070 -0.225 0.000 2.553 592 H HA 0.170 4.720 4.556 -0.010 0.000 0.269 592 H C 1.745 177.068 175.328 -0.008 0.000 1.011 592 H CA 0.062 55.998 56.048 -0.186 0.000 1.150 592 H CB 0.050 29.618 29.762 -0.323 0.000 1.339 592 H HN 0.509 nan 8.280 nan 0.000 0.604 593 A N 1.302 124.191 122.820 0.116 0.000 2.019 593 A HA -0.135 4.179 4.320 -0.010 0.000 0.219 593 A C 1.938 179.692 177.584 0.283 0.000 1.164 593 A CA 1.196 53.313 52.037 0.134 0.000 0.644 593 A CB -0.457 18.574 19.000 0.052 0.000 0.805 593 A HN 0.457 nan 8.150 nan 0.000 0.449 594 I N -2.129 118.599 120.570 0.263 0.000 3.793 594 I HA 0.116 4.280 4.170 -0.010 0.000 0.315 594 I C 0.508 176.730 176.117 0.175 0.000 1.275 594 I CA -0.671 60.770 61.300 0.234 0.000 1.214 594 I CB -1.023 37.075 38.000 0.162 0.000 1.018 594 I HN 0.198 nan 8.210 nan 0.000 0.439 595 N N 3.303 122.150 118.700 0.245 0.000 2.301 595 N HA -0.113 4.621 4.740 -0.010 0.000 0.267 595 N C 0.214 175.770 175.510 0.078 0.000 1.304 595 N CA 0.397 53.586 53.050 0.232 0.000 0.851 595 N CB 0.225 38.823 38.487 0.184 0.000 1.070 595 N HN 0.384 nan 8.380 nan 0.000 0.483 596 R N 0.988 121.505 120.500 0.029 0.000 3.989 596 R HA -0.147 4.187 4.340 -0.010 0.000 0.377 596 R C -0.288 175.879 176.300 -0.221 0.000 1.158 596 R CA 0.783 56.847 56.100 -0.061 0.000 1.035 596 R CB -0.777 29.504 30.300 -0.033 0.000 1.557 596 R HN 0.650 nan 8.270 nan 0.000 0.551 597 R N 0.358 120.729 120.500 -0.215 0.000 2.688 597 R HA 0.198 4.532 4.340 -0.010 0.000 0.396 597 R C -0.674 175.599 176.300 -0.045 0.000 1.081 597 R CA -0.618 55.221 56.100 -0.434 0.000 1.093 597 R CB 0.411 30.501 30.300 -0.349 0.000 1.338 597 R HN -0.102 nan 8.270 nan 0.000 0.613 598 L N 0.422 121.713 121.223 0.114 0.000 2.485 598 L HA 0.197 4.531 4.340 -0.010 0.000 0.275 598 L C 1.495 178.652 176.870 0.480 0.000 1.207 598 L CA 1.532 56.506 54.840 0.222 0.000 0.855 598 L CB 0.311 42.291 42.059 -0.132 0.000 1.114 598 L HN 0.746 nan 8.230 nan 0.000 0.485 599 G N 1.016 110.129 108.800 0.521 0.000 2.182 599 G HA2 -0.281 3.673 3.960 -0.010 0.000 0.248 599 G HA3 -0.281 3.673 3.960 -0.010 0.000 0.248 599 G C 0.502 175.503 174.900 0.168 0.000 1.042 599 G CA 0.884 46.217 45.100 0.388 0.000 0.775 599 G HN 0.944 nan 8.290 nan 0.000 0.501 600 T N -3.987 110.630 114.554 0.105 0.000 3.216 600 T HA 0.454 4.799 4.350 -0.010 0.000 0.167 600 T C 1.605 176.285 174.700 -0.033 0.000 0.905 600 T CA 0.860 62.908 62.100 -0.086 0.000 1.042 600 T CB 0.039 68.678 68.868 -0.382 0.000 1.787 600 T HN 0.151 nan 8.240 nan 0.000 0.355 601 F N 3.490 123.492 119.950 0.086 0.000 2.161 601 F HA 0.065 4.586 4.527 -0.009 0.000 0.300 601 F C 2.821 178.664 175.800 0.071 0.000 1.089 601 F CA 1.358 59.395 58.000 0.061 0.000 1.282 601 F CB -0.593 38.440 39.000 0.055 0.000 1.010 601 F HN 0.530 nan 8.300 nan 0.000 0.485 602 E N 0.644 121.013 120.200 0.282 0.000 2.150 602 E HA -0.117 4.227 4.350 -0.010 0.000 0.193 602 E C 2.103 178.823 176.600 0.200 0.000 0.985 602 E CA 1.427 57.968 56.400 0.235 0.000 0.814 602 E CB -1.017 28.831 29.700 0.247 0.000 0.752 602 E HN 0.298 nan 8.360 nan 0.000 0.466 603 V N 1.469 121.477 119.914 0.156 0.000 2.283 603 V HA -0.198 3.916 4.120 -0.010 0.000 0.243 603 V C 2.564 178.692 176.094 0.055 0.000 1.039 603 V CA 2.032 64.373 62.300 0.069 0.000 1.016 603 V CB -0.663 31.156 31.823 -0.006 0.000 0.650 603 V HN 0.214 nan 8.190 nan 0.000 0.449 604 E N 0.881 121.127 120.200 0.076 0.000 2.070 604 E HA -0.252 4.092 4.350 -0.010 0.000 0.197 604 E C 1.782 178.399 176.600 0.029 0.000 1.004 604 E CA 1.825 58.264 56.400 0.064 0.000 0.805 604 E CB -0.408 29.367 29.700 0.125 0.000 0.744 604 E HN 0.578 nan 8.360 nan 0.000 0.451 605 D N -0.285 120.148 120.400 0.055 0.000 2.218 605 D HA -0.129 4.505 4.640 -0.010 0.000 0.204 605 D C 1.828 178.065 176.300 -0.105 0.000 0.976 605 D CA 0.645 54.634 54.000 -0.017 0.000 0.853 605 D CB -0.091 40.760 40.800 0.085 0.000 0.939 605 D HN 0.259 nan 8.370 nan 0.000 0.481 606 Q N 0.120 119.938 119.800 0.030 0.000 2.079 606 Q HA -0.029 4.305 4.340 -0.010 0.000 0.200 606 Q C 2.580 178.576 176.000 -0.006 0.000 0.974 606 Q CA 0.528 56.350 55.803 0.032 0.000 0.840 606 Q CB -0.126 28.683 28.738 0.118 0.000 0.898 606 Q HN 0.412 nan 8.270 nan 0.000 0.430 607 I N 0.849 121.444 120.570 0.041 0.000 2.226 607 I HA -0.265 3.899 4.170 -0.010 0.000 0.245 607 I C 2.385 178.450 176.117 -0.086 0.000 1.100 607 I CA 1.207 62.583 61.300 0.128 0.000 1.374 607 I CB -0.199 37.865 38.000 0.106 0.000 1.057 607 I HN 0.148 nan 8.210 nan 0.000 0.413 608 E N 1.383 121.469 120.200 -0.190 0.000 2.153 608 E HA -0.188 4.156 4.350 -0.010 0.000 0.194 608 E C 2.069 178.346 176.600 -0.538 0.000 0.988 608 E CA 1.505 57.727 56.400 -0.297 0.000 0.811 608 E CB -0.143 29.404 29.700 -0.254 0.000 0.746 608 E HN 0.428 nan 8.360 nan 0.000 0.466 609 A N 0.864 123.202 122.820 -0.804 0.000 1.858 609 A HA -0.077 4.237 4.320 -0.010 0.000 0.216 609 A C 2.480 179.271 177.584 -1.321 0.000 1.190 609 A CA 2.233 53.455 52.037 -1.358 0.000 0.617 609 A CB -1.164 16.875 19.000 -1.600 0.000 0.827 609 A HN 0.385 nan 8.150 nan 0.000 0.443 610 A N -0.616 121.809 122.820 -0.658 0.000 1.933 610 A HA -0.173 4.141 4.320 -0.010 0.000 0.218 610 A C 2.256 179.615 177.584 -0.374 0.000 1.175 610 A CA 1.573 53.386 52.037 -0.373 0.000 0.628 610 A CB -0.473 18.343 19.000 -0.308 0.000 0.814 610 A HN 0.543 nan 8.150 nan 0.000 0.444 611 R N -0.843 119.433 120.500 -0.373 0.000 2.081 611 R HA -0.119 4.215 4.340 -0.010 0.000 0.235 611 R C 2.422 178.547 176.300 -0.291 0.000 1.131 611 R CA 1.465 57.394 56.100 -0.285 0.000 0.960 611 R CB -0.245 29.918 30.300 -0.228 0.000 0.856 611 R HN 0.591 nan 8.270 nan 0.000 0.436 612 Q N -0.293 119.262 119.800 -0.408 0.000 2.079 612 Q HA -0.129 4.205 4.340 -0.010 0.000 0.200 612 Q C 2.016 177.870 176.000 -0.244 0.000 0.974 612 Q CA 1.301 56.895 55.803 -0.348 0.000 0.840 612 Q CB -0.188 28.286 28.738 -0.439 0.000 0.898 612 Q HN 0.285 nan 8.270 nan 0.000 0.430 613 F N 0.820 120.587 119.950 -0.304 0.000 2.171 613 F HA -0.103 4.418 4.527 -0.010 0.000 0.300 613 F C 2.687 178.259 175.800 -0.381 0.000 1.090 613 F CA 0.909 58.702 58.000 -0.345 0.000 1.293 613 F CB -1.201 37.635 39.000 -0.273 0.000 1.013 613 F HN 0.017 nan 8.300 nan 0.000 0.486 614 S N -0.240 115.382 115.700 -0.129 0.000 2.368 614 S HA -0.180 4.284 4.470 -0.010 0.000 0.224 614 S C 2.137 176.622 174.600 -0.191 0.000 1.029 614 S CA 1.044 59.139 58.200 -0.175 0.000 0.988 614 S CB -0.278 62.822 63.200 -0.167 0.000 0.838 614 S HN 0.302 nan 8.310 nan 0.000 0.462 615 K N 0.028 120.324 120.400 -0.173 0.000 2.504 615 K HA 0.122 4.436 4.320 -0.010 0.000 0.195 615 K C 1.688 178.197 176.600 -0.152 0.000 1.036 615 K CA 0.506 56.708 56.287 -0.142 0.000 0.984 615 K CB -0.116 32.312 32.500 -0.121 0.000 0.788 615 K HN 0.473 nan 8.250 nan 0.000 0.488 616 M N -1.309 118.148 119.600 -0.238 0.000 2.492 616 M HA -0.027 4.447 4.480 -0.010 0.000 0.262 616 M C 1.287 177.412 176.300 -0.290 0.000 1.090 616 M CA 1.154 56.285 55.300 -0.282 0.000 1.110 616 M CB 0.451 32.779 32.600 -0.453 0.000 1.407 616 M HN 0.444 nan 8.290 nan 0.000 0.470 617 G N 0.593 109.214 108.800 -0.298 0.000 2.313 617 G HA2 -0.284 3.670 3.960 -0.010 0.000 0.215 617 G HA3 -0.284 3.670 3.960 -0.010 0.000 0.215 617 G C 0.485 175.357 174.900 -0.046 0.000 1.023 617 G CA 0.172 45.201 45.100 -0.118 0.000 0.626 617 G HN 0.570 nan 8.290 nan 0.000 0.503 618 F N 0.991 120.992 119.950 0.086 0.000 2.668 618 F HA 0.790 5.311 4.527 -0.010 0.000 0.297 618 F C 0.076 175.987 175.800 0.184 0.000 1.124 618 F CA -0.964 57.125 58.000 0.149 0.000 1.353 618 F CB 0.380 39.521 39.000 0.236 0.000 0.992 618 F HN 0.070 nan 8.300 nan 0.000 0.524 619 V N 1.343 121.251 119.914 -0.009 0.000 2.487 619 V HA 0.175 4.289 4.120 -0.010 0.000 0.298 619 V C -0.761 175.314 176.094 -0.033 0.000 1.028 619 V CA -0.791 61.513 62.300 0.007 0.000 0.860 619 V CB 1.617 33.377 31.823 -0.105 0.000 0.991 619 V HN 0.110 nan 8.190 nan 0.000 0.427 620 D N 4.169 124.550 120.400 -0.033 0.000 2.383 620 D HA 0.024 4.658 4.640 -0.010 0.000 0.245 620 D C 1.154 177.390 176.300 -0.107 0.000 1.263 620 D CA -0.187 53.764 54.000 -0.081 0.000 0.936 620 D CB 0.533 41.267 40.800 -0.111 0.000 1.053 620 D HN 0.631 nan 8.370 nan 0.000 0.507 621 N N 3.086 121.727 118.700 -0.098 0.000 2.515 621 N HA -0.112 4.622 4.740 -0.010 0.000 0.191 621 N C 0.590 176.046 175.510 -0.090 0.000 1.182 621 N CA 0.397 53.380 53.050 -0.111 0.000 0.879 621 N CB -0.046 38.368 38.487 -0.121 0.000 0.984 621 N HN 0.358 nan 8.380 nan 0.000 0.453 622 K N -0.151 120.205 120.400 -0.074 0.000 2.400 622 K HA 0.172 4.486 4.320 -0.010 0.000 0.194 622 K C 0.179 176.768 176.600 -0.020 0.000 1.033 622 K CA 0.277 56.540 56.287 -0.040 0.000 1.021 622 K CB 0.398 32.878 32.500 -0.034 0.000 0.808 622 K HN 0.164 nan 8.250 nan 0.000 0.505 623 R N 1.244 121.690 120.500 -0.089 0.000 2.738 623 R HA 0.329 4.663 4.340 -0.010 0.000 0.280 623 R C -0.981 175.203 176.300 -0.193 0.000 1.456 623 R CA -0.133 55.876 56.100 -0.151 0.000 1.612 623 R CB 0.560 30.570 30.300 -0.483 0.000 1.286 623 R HN -0.001 nan 8.270 nan 0.000 0.660 624 I N 1.242 121.846 120.570 0.056 0.000 2.355 624 I HA 0.486 4.650 4.170 -0.010 0.000 0.288 624 I C 0.220 176.586 176.117 0.414 0.000 0.999 624 I CA -0.622 60.745 61.300 0.113 0.000 1.163 624 I CB 1.691 39.583 38.000 -0.180 0.000 1.316 624 I HN 0.267 nan 8.210 nan 0.000 0.454 625 A N 7.268 130.485 122.820 0.661 0.000 2.309 625 A HA 0.928 5.242 4.320 -0.010 0.000 0.317 625 A C -0.897 177.090 177.584 0.673 0.000 1.134 625 A CA -0.671 51.751 52.037 0.642 0.000 0.866 625 A CB 1.914 21.159 19.000 0.408 0.000 1.329 625 A HN 0.724 nan 8.150 nan 0.000 0.477 626 I N 0.020 120.893 120.570 0.506 0.000 2.752 626 I HA 0.646 4.810 4.170 -0.010 0.000 0.295 626 I C -1.972 174.414 176.117 0.449 0.000 1.219 626 I CA -0.556 60.971 61.300 0.379 0.000 1.030 626 I CB 1.696 39.656 38.000 -0.067 0.000 1.259 626 I HN 0.945 nan 8.210 nan 0.000 0.423 627 W N 6.936 128.376 121.300 0.232 0.000 3.137 627 W HA 0.851 5.506 4.660 -0.009 0.000 0.324 627 W C -1.513 175.152 176.519 0.244 0.000 1.253 627 W CA -0.935 56.549 57.345 0.233 0.000 1.183 627 W CB 1.094 30.736 29.460 0.303 0.000 1.424 627 W HN 0.835 nan 8.180 nan 0.000 0.566 628 G N 0.653 109.342 108.800 -0.186 0.000 2.547 628 G HA2 0.448 4.402 3.960 -0.010 0.000 0.291 628 G HA3 0.448 4.402 3.960 -0.010 0.000 0.291 628 G C -2.801 172.000 174.900 -0.165 0.000 1.471 628 G CA -0.747 44.101 45.100 -0.421 0.000 0.798 628 G HN 0.601 nan 8.290 nan 0.000 0.504 629 W N 1.071 122.182 121.300 -0.314 0.000 2.666 629 W HA 0.568 5.222 4.660 -0.010 0.000 0.334 629 W C 0.832 177.294 176.519 -0.095 0.000 1.051 629 W CA 0.509 57.752 57.345 -0.171 0.000 1.224 629 W CB 1.669 31.014 29.460 -0.192 0.000 1.405 629 W HN 1.155 nan 8.180 nan 0.000 0.513 630 S N 1.873 117.763 115.700 0.316 0.000 4.140 630 S HA -0.429 4.035 4.470 -0.010 0.000 0.618 630 S C 0.856 175.566 174.600 0.183 0.000 1.896 630 S CA 1.565 59.945 58.200 0.300 0.000 4.240 630 S CB -1.552 61.864 63.200 0.360 0.000 0.208 630 S HN 0.750 nan 8.310 nan 0.000 0.487 631 Y N 2.997 123.379 120.300 0.136 0.000 2.256 631 Y HA -0.012 4.532 4.550 -0.009 0.000 0.288 631 Y C 2.485 178.580 175.900 0.324 0.000 1.155 631 Y CA 2.051 60.328 58.100 0.296 0.000 1.203 631 Y CB -0.885 37.877 38.460 0.502 0.000 0.980 631 Y HN 0.571 nan 8.280 nan 0.000 0.530 632 G N -1.003 108.056 108.800 0.432 0.000 2.448 632 G HA2 -0.216 3.738 3.960 -0.010 0.000 0.219 632 G HA3 -0.216 3.738 3.960 -0.010 0.000 0.219 632 G C 1.817 176.799 174.900 0.136 0.000 1.127 632 G CA 0.741 46.005 45.100 0.273 0.000 0.766 632 G HN 0.559 nan 8.290 nan 0.000 0.552 633 G N -0.252 108.614 108.800 0.110 0.000 2.394 633 G HA2 -0.169 3.786 3.960 -0.010 0.000 0.215 633 G HA3 -0.169 3.786 3.960 -0.010 0.000 0.215 633 G C 1.536 176.481 174.900 0.075 0.000 1.165 633 G CA 0.891 46.028 45.100 0.061 0.000 0.784 633 G HN 0.458 nan 8.290 nan 0.000 0.535 634 Y N 1.172 121.408 120.300 -0.107 0.000 2.145 634 Y HA -0.166 4.378 4.550 -0.010 0.000 0.286 634 Y C 2.790 178.622 175.900 -0.113 0.000 1.145 634 Y CA 1.812 59.792 58.100 -0.199 0.000 1.148 634 Y CB -0.177 38.019 38.460 -0.440 0.000 0.981 634 Y HN 0.034 nan 8.280 nan 0.000 0.507 635 V N -0.109 119.740 119.914 -0.108 0.000 2.261 635 V HA -0.348 3.766 4.120 -0.010 0.000 0.246 635 V C 2.311 178.315 176.094 -0.150 0.000 1.047 635 V CA 2.441 64.659 62.300 -0.137 0.000 1.015 635 V CB -1.242 30.666 31.823 0.140 0.000 0.642 635 V HN 0.502 nan 8.190 nan 0.000 0.446 636 T N 0.013 114.535 114.554 -0.054 0.000 2.653 636 T HA -0.239 4.105 4.350 -0.010 0.000 0.268 636 T C 2.130 176.774 174.700 -0.093 0.000 1.035 636 T CA 2.173 64.240 62.100 -0.054 0.000 1.154 636 T CB -0.311 68.605 68.868 0.080 0.000 0.862 636 T HN 0.524 nan 8.240 nan 0.000 0.441 637 S N 0.784 116.457 115.700 -0.045 0.000 2.368 637 S HA -0.002 4.462 4.470 -0.010 0.000 0.224 637 S C 2.155 176.665 174.600 -0.151 0.000 1.029 637 S CA 0.896 59.089 58.200 -0.013 0.000 0.988 637 S CB -0.266 62.978 63.200 0.073 0.000 0.838 637 S HN 0.324 nan 8.310 nan 0.000 0.462 638 M N 1.026 120.448 119.600 -0.297 0.000 2.117 638 M HA -0.052 4.423 4.480 -0.010 0.000 0.262 638 M C 2.221 178.353 176.300 -0.279 0.000 1.065 638 M CA 1.150 56.255 55.300 -0.325 0.000 1.114 638 M CB -1.476 30.834 32.600 -0.483 0.000 1.361 638 M HN 0.178 nan 8.290 nan 0.000 0.408 639 V N 0.641 120.381 119.914 -0.289 0.000 2.261 639 V HA -0.248 3.866 4.120 -0.010 0.000 0.246 639 V C 2.552 178.431 176.094 -0.358 0.000 1.047 639 V CA 1.446 63.562 62.300 -0.307 0.000 1.015 639 V CB -0.699 30.866 31.823 -0.429 0.000 0.642 639 V HN 0.408 nan 8.190 nan 0.000 0.446 640 L N 0.452 121.405 121.223 -0.449 0.000 2.127 640 L HA -0.100 4.235 4.340 -0.010 0.000 0.211 640 L C 2.282 178.631 176.870 -0.869 0.000 1.089 640 L CA 1.593 56.081 54.840 -0.586 0.000 0.757 640 L CB -0.784 40.887 42.059 -0.646 0.000 0.899 640 L HN 0.507 nan 8.230 nan 0.000 0.434 641 G N -1.398 106.884 108.800 -0.862 0.000 3.042 641 G HA2 -0.079 3.875 3.960 -0.010 0.000 0.212 641 G HA3 -0.079 3.875 3.960 -0.010 0.000 0.212 641 G C 1.583 176.309 174.900 -0.291 0.000 1.166 641 G CA 0.595 45.293 45.100 -0.670 0.000 0.767 641 G HN 0.449 nan 8.290 nan 0.000 0.546 642 S N -0.281 115.272 115.700 -0.244 0.000 2.461 642 S HA 0.266 4.730 4.470 -0.010 0.000 0.228 642 S C 1.935 176.481 174.600 -0.090 0.000 1.005 642 S CA 1.067 59.187 58.200 -0.133 0.000 0.942 642 S CB -0.272 62.864 63.200 -0.106 0.000 0.776 642 S HN 1.402 nan 8.310 nan 0.000 0.514 643 G N 1.280 110.020 108.800 -0.101 0.000 2.198 643 G HA2 -0.314 3.640 3.960 -0.010 0.000 0.257 643 G HA3 -0.314 3.640 3.960 -0.010 0.000 0.257 643 G C 0.842 175.726 174.900 -0.026 0.000 1.042 643 G CA 0.928 45.994 45.100 -0.057 0.000 0.791 643 G HN 1.272 nan 8.290 nan 0.000 0.502 644 S N -1.049 114.645 115.700 -0.008 0.000 2.436 644 S HA 0.346 4.810 4.470 -0.010 0.000 0.228 644 S C 2.478 177.086 174.600 0.014 0.000 1.014 644 S CA 1.636 59.846 58.200 0.015 0.000 0.950 644 S CB -0.055 63.181 63.200 0.059 0.000 0.784 644 S HN 2.399 nan 8.310 nan 0.000 0.504 645 G N 0.121 108.938 108.800 0.027 0.000 2.179 645 G HA2 -0.294 3.660 3.960 -0.010 0.000 0.260 645 G HA3 -0.294 3.660 3.960 -0.010 0.000 0.260 645 G C 0.816 175.713 174.900 -0.005 0.000 0.977 645 G CA 0.411 45.518 45.100 0.013 0.000 0.641 645 G HN 0.716 nan 8.290 nan 0.000 0.533 646 V N -0.347 119.560 119.914 -0.010 0.000 2.548 646 V HA 0.241 4.355 4.120 -0.010 0.000 0.249 646 V C 1.218 177.127 176.094 -0.309 0.000 1.055 646 V CA 1.517 63.696 62.300 -0.201 0.000 1.065 646 V CB -0.396 31.233 31.823 -0.325 0.000 0.681 646 V HN 0.302 nan 8.190 nan 0.000 0.462 647 F N -0.160 119.798 119.950 0.013 0.000 2.443 647 F HA 0.411 4.932 4.527 -0.010 0.000 0.335 647 F C 1.087 176.928 175.800 0.067 0.000 1.104 647 F CA -0.611 57.425 58.000 0.059 0.000 1.013 647 F CB 1.464 40.501 39.000 0.061 0.000 1.136 647 F HN -0.266 nan 8.300 nan 0.000 0.470 648 K N 1.569 122.131 120.400 0.270 0.000 2.067 648 K HA 0.072 4.386 4.320 -0.010 0.000 0.203 648 K C 0.074 176.809 176.600 0.226 0.000 1.048 648 K CA 1.072 57.484 56.287 0.208 0.000 0.954 648 K CB 0.227 32.855 32.500 0.213 0.000 0.737 648 K HN 0.808 nan 8.250 nan 0.000 0.444 649 c N -2.751 116.022 118.600 0.289 0.000 3.340 649 c HA 0.929 5.493 4.570 -0.010 0.000 0.333 649 c C -0.102 174.218 174.090 0.383 0.000 1.464 649 c CA -0.541 55.977 56.329 0.314 0.000 1.337 649 c CB 1.085 43.717 42.510 0.202 0.000 1.740 649 c HN 0.421 nan 8.230 nan 0.000 0.450 650 G N -0.290 108.804 108.800 0.491 0.000 2.547 650 G HA2 0.653 4.607 3.960 -0.010 0.000 0.291 650 G HA3 0.653 4.607 3.960 -0.010 0.000 0.291 650 G C -2.069 173.079 174.900 0.413 0.000 1.471 650 G CA -0.672 44.692 45.100 0.440 0.000 0.798 650 G HN 0.988 nan 8.290 nan 0.000 0.504 651 I N 0.769 121.548 120.570 0.348 0.000 2.447 651 I HA 0.606 4.770 4.170 -0.010 0.000 0.287 651 I C 0.212 176.461 176.117 0.221 0.000 1.023 651 I CA -0.969 60.422 61.300 0.152 0.000 1.083 651 I CB 2.211 40.272 38.000 0.101 0.000 1.245 651 I HN 0.668 nan 8.210 nan 0.000 0.434 652 A N 6.672 129.529 122.820 0.062 0.000 2.273 652 A HA 0.738 5.052 4.320 -0.010 0.000 0.315 652 A C -0.621 176.881 177.584 -0.137 0.000 1.256 652 A CA -0.491 51.579 52.037 0.054 0.000 0.851 652 A CB 0.886 19.994 19.000 0.180 0.000 1.172 652 A HN 0.454 nan 8.150 nan 0.000 0.508 653 V N 2.334 122.105 119.914 -0.239 0.000 2.370 653 V HA 0.545 4.659 4.120 -0.010 0.000 0.283 653 V C 0.967 176.648 176.094 -0.688 0.000 1.023 653 V CA 0.346 62.277 62.300 -0.615 0.000 0.857 653 V CB 0.640 31.768 31.823 -1.157 0.000 0.985 653 V HN 2.017 nan 8.190 nan 0.000 0.443 654 A N 5.832 128.263 122.820 -0.649 0.000 2.415 654 A HA -0.104 4.210 4.320 -0.010 0.000 0.292 654 A C -1.793 175.650 177.584 -0.235 0.000 1.452 654 A CA 0.332 51.929 52.037 -0.732 0.000 0.750 654 A CB -1.547 17.116 19.000 -0.562 0.000 1.099 654 A HN 0.619 nan 8.150 nan 0.000 0.391 655 P HA 0.425 nan 4.420 nan 0.000 0.277 655 P C 0.228 177.490 177.300 -0.063 0.000 1.240 655 P CA -0.231 62.847 63.100 -0.038 0.000 0.798 655 P CB 1.219 32.926 31.700 0.010 0.000 0.979 656 V N 2.220 121.999 119.914 -0.225 0.000 2.715 656 V HA 0.060 4.174 4.120 -0.010 0.000 0.299 656 V C 1.754 177.667 176.094 -0.300 0.000 1.054 656 V CA 1.032 63.057 62.300 -0.459 0.000 1.077 656 V CB 0.638 31.769 31.823 -1.153 0.000 0.972 656 V HN 0.836 nan 8.190 nan 0.000 0.484 657 S N 3.623 119.177 115.700 -0.244 0.000 2.554 657 S HA 0.307 4.772 4.470 -0.010 0.000 0.227 657 S C 0.526 174.982 174.600 -0.240 0.000 1.050 657 S CA -0.340 57.785 58.200 -0.125 0.000 0.927 657 S CB 0.318 63.503 63.200 -0.026 0.000 0.859 657 S HN 0.719 nan 8.310 nan 0.000 0.494 658 R N -0.807 119.423 120.500 -0.449 0.000 2.572 658 R HA 0.322 4.656 4.340 -0.010 0.000 0.273 658 R C -1.127 174.875 176.300 -0.497 0.000 1.168 658 R CA -0.591 55.199 56.100 -0.516 0.000 1.021 658 R CB 0.092 29.952 30.300 -0.734 0.000 1.249 658 R HN 0.218 nan 8.270 nan 0.000 0.423 659 W N 2.081 123.295 121.300 -0.144 0.000 2.392 659 W HA -0.088 4.566 4.660 -0.009 0.000 0.279 659 W C 1.261 177.913 176.519 0.223 0.000 1.225 659 W CA 0.828 58.181 57.345 0.012 0.000 1.233 659 W CB 0.318 29.701 29.460 -0.129 0.000 1.122 659 W HN 0.706 nan 8.180 nan 0.000 0.561 660 E N -0.961 119.433 120.200 0.324 0.000 2.333 660 E HA -0.211 4.133 4.350 -0.010 0.000 0.198 660 E C 1.359 178.097 176.600 0.231 0.000 1.007 660 E CA 1.106 57.617 56.400 0.185 0.000 0.845 660 E CB -0.427 29.268 29.700 -0.008 0.000 0.766 660 E HN 0.377 nan 8.360 nan 0.000 0.507 661 Y N -1.580 118.823 120.300 0.172 0.000 2.517 661 Y HA 0.096 4.640 4.550 -0.010 0.000 0.281 661 Y C 0.688 176.691 175.900 0.171 0.000 1.125 661 Y CA -0.408 57.757 58.100 0.109 0.000 1.283 661 Y CB -0.468 38.002 38.460 0.017 0.000 1.042 661 Y HN 0.026 nan 8.280 nan 0.000 0.547 662 Y N 1.912 122.376 120.300 0.273 0.000 2.392 662 Y HA 0.285 4.829 4.550 -0.010 0.000 0.323 662 Y C 0.374 176.506 175.900 0.386 0.000 1.291 662 Y CA -2.051 56.218 58.100 0.283 0.000 1.345 662 Y CB 0.369 39.025 38.460 0.327 0.000 1.320 662 Y HN 0.200 nan 8.280 nan 0.000 0.518 663 D N -0.586 119.591 120.400 -0.372 0.000 2.368 663 D HA 0.102 4.736 4.640 -0.010 0.000 0.240 663 D C 0.881 177.179 176.300 -0.004 0.000 1.169 663 D CA 0.350 54.194 54.000 -0.259 0.000 0.906 663 D CB 0.911 41.309 40.800 -0.669 0.000 1.187 663 D HN 0.474 nan 8.370 nan 0.000 0.435 664 S N 0.819 116.517 115.700 -0.004 0.000 2.355 664 S HA -0.183 4.282 4.470 -0.010 0.000 0.222 664 S C 1.913 176.536 174.600 0.039 0.000 1.031 664 S CA 0.973 59.216 58.200 0.072 0.000 0.993 664 S CB -0.904 62.345 63.200 0.081 0.000 0.859 664 S HN 0.422 nan 8.310 nan 0.000 0.453 665 V N 0.950 120.834 119.914 -0.050 0.000 2.255 665 V HA -0.177 3.937 4.120 -0.010 0.000 0.247 665 V C 2.299 178.295 176.094 -0.162 0.000 1.051 665 V CA 2.257 64.434 62.300 -0.204 0.000 1.018 665 V CB -1.066 30.500 31.823 -0.428 0.000 0.641 665 V HN 0.595 nan 8.190 nan 0.000 0.445 666 Y N 1.309 121.538 120.300 -0.118 0.000 2.109 666 Y HA -0.247 4.297 4.550 -0.010 0.000 0.285 666 Y C 2.773 178.625 175.900 -0.081 0.000 1.131 666 Y CA 2.436 60.528 58.100 -0.013 0.000 1.121 666 Y CB -0.641 38.006 38.460 0.312 0.000 0.987 666 Y HN 0.215 nan 8.280 nan 0.000 0.495 667 T N 0.440 115.169 114.554 0.292 0.000 2.684 667 T HA -0.218 4.126 4.350 -0.010 0.000 0.267 667 T C 1.530 176.166 174.700 -0.106 0.000 1.036 667 T CA 2.033 64.237 62.100 0.173 0.000 1.148 667 T CB -0.329 68.816 68.868 0.463 0.000 0.863 667 T HN 0.468 nan 8.240 nan 0.000 0.436 668 E N 0.451 120.615 120.200 -0.059 0.000 2.208 668 E HA -0.020 4.324 4.350 -0.010 0.000 0.193 668 E C 2.347 178.787 176.600 -0.266 0.000 0.988 668 E CA 0.230 56.592 56.400 -0.063 0.000 0.828 668 E CB -0.103 29.617 29.700 0.034 0.000 0.763 668 E HN 0.319 nan 8.360 nan 0.000 0.478 669 R N 0.198 120.361 120.500 -0.562 0.000 2.117 669 R HA -0.201 4.133 4.340 -0.010 0.000 0.243 669 R C 1.116 176.815 176.300 -1.002 0.000 1.143 669 R CA 1.655 57.210 56.100 -0.908 0.000 0.968 669 R CB 0.027 29.427 30.300 -1.499 0.000 0.863 669 R HN 0.280 nan 8.270 nan 0.000 0.444 670 Y N -2.784 117.192 120.300 -0.540 0.000 2.483 670 Y HA 0.230 4.774 4.550 -0.010 0.000 0.258 670 Y C 1.665 177.385 175.900 -0.300 0.000 1.083 670 Y CA -0.141 57.663 58.100 -0.495 0.000 1.283 670 Y CB 0.375 38.420 38.460 -0.691 0.000 1.178 670 Y HN -0.083 nan 8.280 nan 0.000 0.515 671 M N -0.023 119.465 119.600 -0.187 0.000 2.337 671 M HA 0.357 4.831 4.480 -0.010 0.000 0.256 671 M C 1.151 177.475 176.300 0.039 0.000 1.075 671 M CA 0.701 55.896 55.300 -0.174 0.000 1.024 671 M CB -0.476 31.841 32.600 -0.473 0.000 1.429 671 M HN 0.377 nan 8.290 nan 0.000 0.497 672 G N 1.939 110.765 108.800 0.043 0.000 2.598 672 G HA2 -0.238 3.717 3.960 -0.010 0.000 0.269 672 G HA3 -0.238 3.717 3.960 -0.010 0.000 0.269 672 G C -0.541 174.486 174.900 0.212 0.000 1.289 672 G CA -0.663 44.499 45.100 0.104 0.000 0.926 672 G HN 0.273 nan 8.290 nan 0.000 0.567 673 L N 2.552 123.866 121.223 0.152 0.000 2.334 673 L HA 0.473 4.807 4.340 -0.010 0.000 0.277 673 L C -1.236 175.635 176.870 0.000 0.000 1.075 673 L CA -1.986 52.899 54.840 0.075 0.000 0.804 673 L CB 1.098 43.169 42.059 0.020 0.000 1.174 673 L HN 0.417 nan 8.230 nan 0.000 0.438 674 P HA 0.072 nan 4.420 nan 0.000 0.228 674 P C -0.468 176.688 177.300 -0.240 0.000 1.748 674 P CA -0.126 62.576 63.100 -0.664 0.000 0.909 674 P CB -0.528 30.445 31.700 -1.212 0.000 1.882 675 T N -3.437 111.062 114.554 -0.091 0.000 2.932 675 T HA 0.485 4.829 4.350 -0.010 0.000 0.289 675 T C -2.222 172.478 174.700 -0.001 0.000 1.039 675 T CA -2.473 59.602 62.100 -0.042 0.000 1.024 675 T CB 1.781 70.633 68.868 -0.025 0.000 1.090 675 T HN -0.285 nan 8.240 nan 0.000 0.496 676 P HA -0.050 nan 4.420 nan 0.000 0.222 676 P C 1.060 178.374 177.300 0.023 0.000 1.147 676 P CA 0.755 63.866 63.100 0.018 0.000 0.790 676 P CB 0.096 31.803 31.700 0.011 0.000 0.780 677 E N -1.781 118.429 120.200 0.017 0.000 2.463 677 E HA 0.056 4.400 4.350 -0.010 0.000 0.193 677 E C 0.524 177.140 176.600 0.027 0.000 1.041 677 E CA 0.287 56.698 56.400 0.019 0.000 0.879 677 E CB -0.003 29.703 29.700 0.010 0.000 0.997 677 E HN 0.223 nan 8.360 nan 0.000 0.478 678 D N 1.016 121.439 120.400 0.039 0.000 3.041 678 D HA 0.044 4.678 4.640 -0.010 0.000 0.201 678 D C 0.125 176.480 176.300 0.092 0.000 1.432 678 D CA -0.030 54.004 54.000 0.058 0.000 1.469 678 D CB 0.044 40.879 40.800 0.058 0.000 1.051 678 D HN 0.043 nan 8.370 nan 0.000 0.203 679 N N 0.129 118.917 118.700 0.148 0.000 2.305 679 N HA 0.112 4.846 4.740 -0.010 0.000 0.248 679 N C 1.004 176.722 175.510 0.347 0.000 1.290 679 N CA -0.058 53.130 53.050 0.229 0.000 0.873 679 N CB 0.308 38.944 38.487 0.248 0.000 1.261 679 N HN 0.096 nan 8.380 nan 0.000 0.504 680 L N 0.457 121.805 121.223 0.208 0.000 2.043 680 L HA -0.143 4.191 4.340 -0.010 0.000 0.212 680 L C 1.206 178.199 176.870 0.206 0.000 1.075 680 L CA 2.006 56.944 54.840 0.165 0.000 0.752 680 L CB -0.381 41.704 42.059 0.044 0.000 0.891 680 L HN 0.125 nan 8.230 nan 0.000 0.432 681 D N -1.565 118.933 120.400 0.163 0.000 2.116 681 D HA -0.256 4.378 4.640 -0.010 0.000 0.193 681 D C 2.108 178.505 176.300 0.163 0.000 0.998 681 D CA 1.789 55.871 54.000 0.136 0.000 0.836 681 D CB -0.149 40.718 40.800 0.113 0.000 0.951 681 D HN 0.601 nan 8.370 nan 0.000 0.449 682 H N -1.254 117.882 119.070 0.109 0.000 2.428 682 H HA -0.034 4.516 4.556 -0.010 0.000 0.296 682 H C 1.625 177.009 175.328 0.094 0.000 1.062 682 H CA 1.150 57.239 56.048 0.068 0.000 1.350 682 H CB -0.247 29.522 29.762 0.012 0.000 1.403 682 H HN 0.171 nan 8.280 nan 0.000 0.533 683 Y N 0.442 120.761 120.300 0.031 0.000 2.151 683 Y HA -0.225 4.319 4.550 -0.010 0.000 0.284 683 Y C 2.470 178.348 175.900 -0.038 0.000 1.166 683 Y CA 1.601 59.714 58.100 0.022 0.000 1.163 683 Y CB 0.063 38.557 38.460 0.057 0.000 0.974 683 Y HN 0.154 nan 8.280 nan 0.000 0.511 684 R N -0.058 120.521 120.500 0.131 0.000 2.115 684 R HA -0.085 4.249 4.340 -0.010 0.000 0.226 684 R C 1.487 177.781 176.300 -0.011 0.000 1.100 684 R CA 1.257 57.385 56.100 0.047 0.000 0.980 684 R CB -0.861 29.469 30.300 0.050 0.000 0.875 684 R HN 0.570 nan 8.270 nan 0.000 0.445 685 N N 0.462 119.129 118.700 -0.055 0.000 2.446 685 N HA -0.061 4.673 4.740 -0.010 0.000 0.179 685 N C 0.759 176.188 175.510 -0.135 0.000 1.054 685 N CA 0.748 53.754 53.050 -0.073 0.000 0.905 685 N CB 0.205 38.686 38.487 -0.010 0.000 0.973 685 N HN 0.139 nan 8.380 nan 0.000 0.448 686 S N 0.144 115.708 115.700 -0.228 0.000 2.582 686 S HA 0.028 4.492 4.470 -0.010 0.000 0.234 686 S C 0.680 175.312 174.600 0.053 0.000 0.961 686 S CA -0.712 57.420 58.200 -0.113 0.000 0.953 686 S CB -0.314 62.761 63.200 -0.208 0.000 0.800 686 S HN 0.148 nan 8.310 nan 0.000 0.471 687 T N -0.907 113.639 114.554 -0.012 0.000 2.899 687 T HA 0.397 4.741 4.350 -0.010 0.000 0.295 687 T C 1.376 176.067 174.700 -0.014 0.000 1.033 687 T CA -0.127 61.957 62.100 -0.026 0.000 1.084 687 T CB 1.430 70.259 68.868 -0.065 0.000 0.979 687 T HN 0.455 nan 8.240 nan 0.000 0.532 688 V N 2.059 121.960 119.914 -0.020 0.000 2.591 688 V HA -0.017 4.097 4.120 -0.010 0.000 0.249 688 V C 2.256 178.320 176.094 -0.050 0.000 1.053 688 V CA 1.321 63.599 62.300 -0.037 0.000 1.068 688 V CB -1.091 30.705 31.823 -0.046 0.000 0.689 688 V HN 0.856 nan 8.190 nan 0.000 0.462 689 M N 2.374 121.932 119.600 -0.071 0.000 2.106 689 M HA -0.160 4.314 4.480 -0.010 0.000 0.259 689 M C 2.478 178.750 176.300 -0.047 0.000 1.068 689 M CA 2.570 57.824 55.300 -0.078 0.000 1.100 689 M CB -0.971 31.595 32.600 -0.056 0.000 1.351 689 M HN 0.751 nan 8.290 nan 0.000 0.404 690 S N -0.305 115.379 115.700 -0.028 0.000 2.469 690 S HA -0.098 4.366 4.470 -0.010 0.000 0.238 690 S C 1.735 176.337 174.600 0.004 0.000 0.998 690 S CA 0.761 58.954 58.200 -0.013 0.000 0.957 690 S CB -0.518 62.674 63.200 -0.013 0.000 0.764 690 S HN 0.543 nan 8.310 nan 0.000 0.514 691 R N 0.630 121.143 120.500 0.021 0.000 2.388 691 R HA 0.429 4.763 4.340 -0.010 0.000 0.247 691 R C 2.157 178.553 176.300 0.160 0.000 0.931 691 R CA 0.424 56.562 56.100 0.063 0.000 1.082 691 R CB -0.287 30.046 30.300 0.055 0.000 1.135 691 R HN 0.505 nan 8.270 nan 0.000 0.525 692 A N 1.798 124.668 122.820 0.083 0.000 1.892 692 A HA -0.288 4.026 4.320 -0.010 0.000 0.218 692 A C 2.086 179.753 177.584 0.137 0.000 1.188 692 A CA 1.931 53.999 52.037 0.051 0.000 0.631 692 A CB -0.308 18.648 19.000 -0.073 0.000 0.822 692 A HN 0.304 nan 8.150 nan 0.000 0.447 693 E N 0.842 121.092 120.200 0.083 0.000 2.114 693 E HA -0.216 4.129 4.350 -0.010 0.000 0.199 693 E C 1.593 178.249 176.600 0.092 0.000 1.008 693 E CA 1.877 58.322 56.400 0.074 0.000 0.810 693 E CB -0.369 29.357 29.700 0.043 0.000 0.739 693 E HN 0.613 nan 8.360 nan 0.000 0.456 694 N N -0.591 118.158 118.700 0.081 0.000 2.550 694 N HA -0.095 4.639 4.740 -0.010 0.000 0.186 694 N C 0.705 176.190 175.510 -0.041 0.000 1.110 694 N CA 0.468 53.521 53.050 0.004 0.000 0.912 694 N CB -0.148 38.301 38.487 -0.065 0.000 0.968 694 N HN 0.235 nan 8.380 nan 0.000 0.448 695 F N 1.412 121.321 119.950 -0.069 0.000 2.604 695 F HA 0.062 4.583 4.527 -0.010 0.000 0.298 695 F C 1.938 177.747 175.800 0.015 0.000 1.131 695 F CA 0.552 58.509 58.000 -0.072 0.000 1.457 695 F CB 0.115 39.029 39.000 -0.143 0.000 1.095 695 F HN -0.104 nan 8.300 nan 0.000 0.574 696 K N -0.061 120.438 120.400 0.165 0.000 2.442 696 K HA -0.166 4.148 4.320 -0.010 0.000 0.198 696 K C 1.352 178.006 176.600 0.089 0.000 1.044 696 K CA 0.944 57.307 56.287 0.126 0.000 0.948 696 K CB -0.163 32.393 32.500 0.092 0.000 0.762 696 K HN 0.443 nan 8.250 nan 0.000 0.472 697 Q N 0.049 119.878 119.800 0.049 0.000 2.282 697 Q HA 0.064 4.398 4.340 -0.010 0.000 0.206 697 Q C 0.153 176.176 176.000 0.039 0.000 0.878 697 Q CA -0.092 55.728 55.803 0.027 0.000 0.944 697 Q CB 1.011 29.744 28.738 -0.010 0.000 1.100 697 Q HN 0.117 nan 8.270 nan 0.000 0.509 698 V N -3.208 116.741 119.914 0.060 0.000 3.160 698 V HA 0.515 4.629 4.120 -0.010 0.000 0.310 698 V C -1.329 174.893 176.094 0.213 0.000 1.181 698 V CA -1.283 61.083 62.300 0.109 0.000 1.047 698 V CB 2.313 34.162 31.823 0.044 0.000 1.068 698 V HN -0.042 nan 8.190 nan 0.000 0.441 699 E N 1.087 121.449 120.200 0.270 0.000 2.156 699 E HA 0.495 4.839 4.350 -0.010 0.000 0.279 699 E C -1.921 175.048 176.600 0.616 0.000 0.965 699 E CA -0.404 56.228 56.400 0.386 0.000 0.789 699 E CB 1.879 31.735 29.700 0.260 0.000 1.098 699 E HN 0.672 nan 8.360 nan 0.000 0.397 700 Y N 3.298 123.869 120.300 0.452 0.000 2.409 700 Y HA 0.467 5.011 4.550 -0.010 0.000 0.343 700 Y C -1.652 174.348 175.900 0.166 0.000 0.973 700 Y CA -1.538 56.776 58.100 0.357 0.000 1.064 700 Y CB 1.087 39.801 38.460 0.422 0.000 1.207 700 Y HN 0.413 nan 8.280 nan 0.000 0.452 701 L N 7.638 128.577 121.223 -0.474 0.000 2.343 701 L HA 0.576 4.910 4.340 -0.010 0.000 0.278 701 L C -2.117 174.296 176.870 -0.763 0.000 0.996 701 L CA -0.795 53.604 54.840 -0.734 0.000 0.831 701 L CB 1.265 42.561 42.059 -1.272 0.000 1.232 701 L HN 0.641 nan 8.230 nan 0.000 0.413 702 L N 6.746 127.606 121.223 -0.605 0.000 2.287 702 L HA 0.670 5.004 4.340 -0.010 0.000 0.287 702 L C -1.067 175.670 176.870 -0.222 0.000 1.022 702 L CA 0.024 54.576 54.840 -0.481 0.000 0.814 702 L CB 1.030 42.836 42.059 -0.421 0.000 1.217 702 L HN 0.566 nan 8.230 nan 0.000 0.420 703 I N 4.593 125.043 120.570 -0.199 0.000 2.465 703 I HA 0.461 4.625 4.170 -0.010 0.000 0.291 703 I C -1.033 175.052 176.117 -0.053 0.000 1.014 703 I CA -0.682 60.549 61.300 -0.116 0.000 1.093 703 I CB 1.885 39.776 38.000 -0.181 0.000 1.267 703 I HN 0.661 nan 8.210 nan 0.000 0.431 704 H N 2.373 121.475 119.070 0.054 0.000 3.038 704 H HA 0.531 5.081 4.556 -0.010 0.000 0.362 704 H C -0.368 175.180 175.328 0.366 0.000 1.167 704 H CA -0.579 55.555 56.048 0.144 0.000 1.197 704 H CB 2.109 31.903 29.762 0.053 0.000 1.840 704 H HN 0.742 nan 8.280 nan 0.000 0.540 705 G N 0.746 109.876 108.800 0.550 0.000 2.372 705 G HA2 0.231 4.185 3.960 -0.010 0.000 0.283 705 G HA3 0.231 4.185 3.960 -0.010 0.000 0.283 705 G C 1.081 176.290 174.900 0.515 0.000 1.177 705 G CA 0.087 45.486 45.100 0.498 0.000 0.842 705 G HN 0.753 nan 8.290 nan 0.000 0.503 706 T N -0.684 114.037 114.554 0.278 0.000 2.995 706 T HA 0.067 4.411 4.350 -0.010 0.000 0.269 706 T C 1.716 176.442 174.700 0.042 0.000 1.091 706 T CA 1.270 63.358 62.100 -0.019 0.000 1.128 706 T CB 0.163 68.937 68.868 -0.156 0.000 0.891 706 T HN 0.672 nan 8.240 nan 0.000 0.492 707 A N 1.049 123.966 122.820 0.162 0.000 2.577 707 A HA 0.309 4.623 4.320 -0.010 0.000 0.280 707 A C 0.406 178.007 177.584 0.029 0.000 1.331 707 A CA -0.500 51.643 52.037 0.178 0.000 0.935 707 A CB -0.276 19.062 19.000 0.564 0.000 1.082 707 A HN 0.383 nan 8.150 nan 0.000 0.525 708 D N 1.408 121.827 120.400 0.032 0.000 2.338 708 D HA 0.015 4.649 4.640 -0.010 0.000 0.255 708 D C 0.256 176.532 176.300 -0.040 0.000 1.237 708 D CA 0.119 54.215 54.000 0.160 0.000 0.883 708 D CB 0.752 41.790 40.800 0.396 0.000 1.087 708 D HN 0.554 nan 8.370 nan 0.000 0.485 709 D N 2.151 122.573 120.400 0.037 0.000 2.354 709 D HA -0.085 4.549 4.640 -0.010 0.000 0.209 709 D C 1.015 177.314 176.300 -0.002 0.000 1.015 709 D CA -0.018 53.962 54.000 -0.034 0.000 0.867 709 D CB 0.213 40.927 40.800 -0.144 0.000 0.933 709 D HN 0.409 nan 8.370 nan 0.000 0.520 710 N N 0.208 118.990 118.700 0.138 0.000 2.255 710 N HA -0.036 4.698 4.740 -0.010 0.000 0.192 710 N C -0.132 175.310 175.510 -0.114 0.000 1.049 710 N CA 0.402 53.569 53.050 0.195 0.000 0.886 710 N CB 0.616 39.186 38.487 0.138 0.000 1.064 710 N HN -0.173 nan 8.380 nan 0.000 0.457 711 V N 2.242 122.105 119.914 -0.085 0.000 2.304 711 V HA 0.193 4.307 4.120 -0.010 0.000 0.269 711 V C -0.888 175.254 176.094 0.079 0.000 1.036 711 V CA -0.344 61.951 62.300 -0.008 0.000 0.840 711 V CB 0.072 31.926 31.823 0.052 0.000 1.036 711 V HN 0.342 nan 8.190 nan 0.000 0.466 712 H N 3.327 122.379 119.070 -0.030 0.000 2.897 712 H HA 0.002 4.552 4.556 -0.010 0.000 0.347 712 H C 0.817 176.033 175.328 -0.186 0.000 1.068 712 H CA -0.030 55.926 56.048 -0.154 0.000 1.426 712 H CB 0.732 30.302 29.762 -0.320 0.000 1.410 712 H HN 0.635 nan 8.280 nan 0.000 0.597 713 F N 2.051 121.828 119.950 -0.287 0.000 2.184 713 F HA -0.338 4.183 4.527 -0.010 0.000 0.301 713 F C 2.587 178.081 175.800 -0.510 0.000 1.076 713 F CA 1.928 59.523 58.000 -0.675 0.000 1.295 713 F CB -0.215 38.590 39.000 -0.325 0.000 1.026 713 F HN 0.690 nan 8.300 nan 0.000 0.494 714 Q N 0.195 119.855 119.800 -0.234 0.000 2.142 714 Q HA -0.361 3.973 4.340 -0.010 0.000 0.213 714 Q C 2.139 177.894 176.000 -0.409 0.000 1.004 714 Q CA 2.662 58.279 55.803 -0.309 0.000 0.883 714 Q CB -0.443 28.096 28.738 -0.332 0.000 0.939 714 Q HN 0.617 nan 8.270 nan 0.000 0.413 715 Q N -0.470 119.130 119.800 -0.334 0.000 2.096 715 Q HA -0.129 4.205 4.340 -0.010 0.000 0.204 715 Q C 2.237 178.123 176.000 -0.190 0.000 0.982 715 Q CA 1.771 57.490 55.803 -0.139 0.000 0.850 715 Q CB -0.078 28.666 28.738 0.010 0.000 0.901 715 Q HN 0.354 nan 8.270 nan 0.000 0.422 716 S N 0.569 116.039 115.700 -0.383 0.000 2.436 716 S HA 0.029 4.493 4.470 -0.010 0.000 0.228 716 S C 2.003 176.341 174.600 -0.437 0.000 1.014 716 S CA 0.613 58.595 58.200 -0.362 0.000 0.950 716 S CB -0.011 62.989 63.200 -0.332 0.000 0.784 716 S HN 0.448 nan 8.310 nan 0.000 0.504 717 A N 1.614 124.086 122.820 -0.581 0.000 1.902 717 A HA -0.128 4.186 4.320 -0.010 0.000 0.217 717 A C 2.131 179.601 177.584 -0.190 0.000 1.181 717 A CA 1.112 52.937 52.037 -0.353 0.000 0.623 717 A CB -0.432 18.420 19.000 -0.247 0.000 0.818 717 A HN 0.341 nan 8.150 nan 0.000 0.443 718 Q N -0.361 119.334 119.800 -0.175 0.000 2.167 718 Q HA -0.046 4.288 4.340 -0.010 0.000 0.202 718 Q C 2.100 178.035 176.000 -0.108 0.000 0.970 718 Q CA 1.046 56.799 55.803 -0.084 0.000 0.855 718 Q CB -0.355 28.398 28.738 0.026 0.000 0.911 718 Q HN 0.795 nan 8.270 nan 0.000 0.438 719 I N 0.972 121.447 120.570 -0.159 0.000 2.163 719 I HA -0.278 3.886 4.170 -0.010 0.000 0.240 719 I C 2.532 178.459 176.117 -0.317 0.000 1.081 719 I CA 1.463 62.623 61.300 -0.234 0.000 1.353 719 I CB -0.531 37.334 38.000 -0.226 0.000 1.054 719 I HN 0.179 nan 8.210 nan 0.000 0.407 720 S N 1.071 116.607 115.700 -0.275 0.000 2.370 720 S HA -0.293 4.171 4.470 -0.010 0.000 0.226 720 S C 2.020 176.568 174.600 -0.087 0.000 1.033 720 S CA 1.606 59.667 58.200 -0.232 0.000 1.011 720 S CB -0.523 62.730 63.200 0.089 0.000 0.852 720 S HN 0.393 nan 8.310 nan 0.000 0.457 721 K N 1.791 122.155 120.400 -0.061 0.000 2.097 721 K HA 0.057 4.371 4.320 -0.010 0.000 0.206 721 K C 2.234 178.806 176.600 -0.046 0.000 1.049 721 K CA 1.085 57.358 56.287 -0.023 0.000 0.933 721 K CB -0.626 31.860 32.500 -0.022 0.000 0.717 721 K HN 0.443 nan 8.250 nan 0.000 0.442 722 A N 1.022 123.782 122.820 -0.100 0.000 1.930 722 A HA -0.058 4.256 4.320 -0.010 0.000 0.217 722 A C 2.053 179.567 177.584 -0.117 0.000 1.175 722 A CA 1.067 53.043 52.037 -0.101 0.000 0.627 722 A CB -0.482 18.442 19.000 -0.126 0.000 0.815 722 A HN 0.311 nan 8.150 nan 0.000 0.443 723 L N -0.606 120.494 121.223 -0.206 0.000 2.093 723 L HA -0.122 4.212 4.340 -0.010 0.000 0.208 723 L C 2.480 179.362 176.870 0.021 0.000 1.085 723 L CA 0.825 55.553 54.840 -0.188 0.000 0.755 723 L CB -0.556 41.195 42.059 -0.514 0.000 0.904 723 L HN 0.233 nan 8.230 nan 0.000 0.435 724 V N -0.192 119.768 119.914 0.077 0.000 2.343 724 V HA -0.275 3.839 4.120 -0.010 0.000 0.247 724 V C 1.936 178.070 176.094 0.067 0.000 1.051 724 V CA 1.831 64.207 62.300 0.127 0.000 1.036 724 V CB -0.473 31.425 31.823 0.125 0.000 0.654 724 V HN 0.412 nan 8.190 nan 0.000 0.451 725 D N 0.177 120.596 120.400 0.032 0.000 2.310 725 D HA -0.082 4.552 4.640 -0.010 0.000 0.212 725 D C 1.630 177.944 176.300 0.024 0.000 0.965 725 D CA 1.455 55.468 54.000 0.022 0.000 0.879 725 D CB 0.044 40.849 40.800 0.008 0.000 0.921 725 D HN 0.564 nan 8.370 nan 0.000 0.510 726 V N -4.070 115.860 119.914 0.027 0.000 3.319 726 V HA 0.522 4.636 4.120 -0.010 0.000 0.317 726 V C 1.166 177.292 176.094 0.053 0.000 1.411 726 V CA 0.161 62.482 62.300 0.034 0.000 1.112 726 V CB 0.016 31.855 31.823 0.027 0.000 1.031 726 V HN 0.099 nan 8.190 nan 0.000 0.448 727 G N 0.597 109.436 108.800 0.066 0.000 2.246 727 G HA2 -0.185 3.769 3.960 -0.010 0.000 0.273 727 G HA3 -0.185 3.769 3.960 -0.010 0.000 0.273 727 G C -0.083 174.882 174.900 0.109 0.000 1.055 727 G CA 0.247 45.395 45.100 0.080 0.000 0.851 727 G HN 0.852 nan 8.290 nan 0.000 0.500 728 V N 0.554 120.554 119.914 0.144 0.000 2.383 728 V HA 0.420 4.534 4.120 -0.010 0.000 0.275 728 V C 0.490 176.774 176.094 0.316 0.000 1.036 728 V CA -0.578 61.842 62.300 0.200 0.000 0.889 728 V CB 1.679 33.611 31.823 0.183 0.000 0.985 728 V HN 0.432 nan 8.190 nan 0.000 0.459 729 D N 4.259 124.815 120.400 0.260 0.000 2.345 729 D HA 0.557 5.191 4.640 -0.010 0.000 0.247 729 D C -0.555 175.984 176.300 0.397 0.000 1.108 729 D CA 0.288 54.428 54.000 0.235 0.000 0.894 729 D CB 0.696 41.567 40.800 0.119 0.000 1.203 729 D HN 0.380 nan 8.370 nan 0.000 0.430 730 F N -0.270 119.759 119.950 0.131 0.000 2.773 730 F HA 0.436 4.958 4.527 -0.010 0.000 0.314 730 F C -1.379 174.473 175.800 0.087 0.000 1.160 730 F CA -1.180 56.918 58.000 0.164 0.000 0.920 730 F CB 0.825 39.951 39.000 0.209 0.000 1.323 730 F HN 0.040 nan 8.300 nan 0.000 0.457 731 Q N 1.562 121.423 119.800 0.101 0.000 2.222 731 Q HA 0.798 5.132 4.340 -0.010 0.000 0.252 731 Q C -0.685 175.282 176.000 -0.054 0.000 0.926 731 Q CA -0.668 55.102 55.803 -0.055 0.000 0.899 731 Q CB 2.022 30.763 28.738 0.005 0.000 1.250 731 Q HN 1.003 nan 8.270 nan 0.000 0.441 732 A N 1.745 124.501 122.820 -0.107 0.000 2.479 732 A HA 0.878 5.192 4.320 -0.010 0.000 0.296 732 A C -1.228 176.273 177.584 -0.138 0.000 1.121 732 A CA -0.598 51.413 52.037 -0.042 0.000 0.743 732 A CB 1.918 20.957 19.000 0.064 0.000 1.323 732 A HN 0.625 nan 8.150 nan 0.000 0.415 733 M N 1.141 120.649 119.600 -0.153 0.000 2.298 733 M HA 0.490 4.964 4.480 -0.010 0.000 0.255 733 M C -1.999 174.165 176.300 -0.226 0.000 1.021 733 M CA -0.444 54.620 55.300 -0.394 0.000 0.968 733 M CB 0.934 33.190 32.600 -0.574 0.000 2.037 733 M HN 0.950 nan 8.290 nan 0.000 0.478 734 W N 4.441 125.610 121.300 -0.219 0.000 2.448 734 W HA 0.768 5.422 4.660 -0.010 0.000 0.339 734 W C -1.912 174.387 176.519 -0.367 0.000 1.124 734 W CA -0.734 56.564 57.345 -0.078 0.000 1.262 734 W CB 0.321 29.784 29.460 0.006 0.000 1.251 734 W HN 0.611 nan 8.180 nan 0.000 0.597 735 Y N 2.444 122.870 120.300 0.209 0.000 2.388 735 Y HA 0.289 4.833 4.550 -0.010 0.000 0.328 735 Y C 0.526 176.551 175.900 0.209 0.000 0.963 735 Y CA -1.087 57.062 58.100 0.082 0.000 1.240 735 Y CB 1.289 39.764 38.460 0.025 0.000 1.118 735 Y HN 0.425 nan 8.280 nan 0.000 0.484 736 T N 4.827 119.574 114.554 0.322 0.000 2.822 736 T HA -0.030 4.314 4.350 -0.010 0.000 0.288 736 T C 0.199 174.986 174.700 0.144 0.000 0.991 736 T CA 0.695 62.930 62.100 0.224 0.000 1.176 736 T CB -0.131 68.813 68.868 0.126 0.000 0.951 736 T HN 0.728 nan 8.240 nan 0.000 0.526 737 D N 0.459 120.916 120.400 0.094 0.000 2.978 737 D HA -0.127 4.507 4.640 -0.010 0.000 0.205 737 D C 0.355 176.787 176.300 0.220 0.000 1.093 737 D CA 1.171 55.155 54.000 -0.027 0.000 1.006 737 D CB -0.446 40.110 40.800 -0.406 0.000 1.116 737 D HN 0.559 nan 8.370 nan 0.000 0.419 738 E N 1.184 121.531 120.200 0.244 0.000 2.366 738 E HA 0.260 4.604 4.350 -0.010 0.000 0.266 738 E C 0.846 177.630 176.600 0.306 0.000 1.051 738 E CA -0.011 56.548 56.400 0.264 0.000 0.884 738 E CB 0.959 30.797 29.700 0.229 0.000 1.006 738 E HN 0.409 nan 8.360 nan 0.000 0.417 739 D N -0.165 120.422 120.400 0.312 0.000 2.541 739 D HA -0.009 4.625 4.640 -0.010 0.000 0.276 739 D C 0.986 177.498 176.300 0.352 0.000 1.190 739 D CA -0.265 53.941 54.000 0.343 0.000 1.095 739 D CB -0.206 40.822 40.800 0.380 0.000 1.173 739 D HN 0.434 nan 8.370 nan 0.000 0.604 740 H N -1.699 117.533 119.070 0.271 0.000 2.518 740 H HA 0.139 4.689 4.556 -0.010 0.000 0.289 740 H C 1.732 177.279 175.328 0.364 0.000 1.051 740 H CA 1.881 58.102 56.048 0.289 0.000 1.280 740 H CB -0.274 29.642 29.762 0.256 0.000 1.380 740 H HN 0.475 nan 8.280 nan 0.000 0.566 741 G N -0.425 108.515 108.800 0.233 0.000 2.744 741 G HA2 0.049 4.003 3.960 -0.010 0.000 0.211 741 G HA3 0.049 4.003 3.960 -0.010 0.000 0.211 741 G C 0.571 175.616 174.900 0.242 0.000 1.146 741 G CA 0.211 45.375 45.100 0.106 0.000 0.787 741 G HN 0.485 nan 8.290 nan 0.000 0.534 742 I N 0.281 121.019 120.570 0.279 0.000 5.071 742 I HA -0.327 3.837 4.170 -0.010 0.000 0.126 742 I C 1.529 177.751 176.117 0.175 0.000 1.290 742 I CA 0.136 61.550 61.300 0.189 0.000 2.644 742 I CB -1.143 36.923 38.000 0.109 0.000 2.208 742 I HN 0.249 nan 8.210 nan 0.000 0.322 743 A N 0.852 123.757 122.820 0.141 0.000 2.343 743 A HA 0.284 4.598 4.320 -0.010 0.000 0.223 743 A C 1.164 178.792 177.584 0.073 0.000 1.214 743 A CA 0.165 52.259 52.037 0.095 0.000 0.900 743 A CB 0.278 19.311 19.000 0.056 0.000 0.942 743 A HN 0.442 nan 8.150 nan 0.000 0.507 744 S N 0.137 115.893 115.700 0.094 0.000 2.558 744 S HA 0.081 4.545 4.470 -0.010 0.000 0.287 744 S C 1.549 176.198 174.600 0.083 0.000 1.321 744 S CA 0.448 58.698 58.200 0.083 0.000 1.048 744 S CB 1.138 64.392 63.200 0.091 0.000 0.844 744 S HN 0.532 nan 8.310 nan 0.000 0.512 745 S N 1.907 117.642 115.700 0.060 0.000 2.353 745 S HA -0.164 4.300 4.470 -0.010 0.000 0.222 745 S C 2.280 176.934 174.600 0.090 0.000 1.035 745 S CA 2.124 60.358 58.200 0.057 0.000 1.025 745 S CB -0.759 62.459 63.200 0.030 0.000 0.902 745 S HN 0.955 nan 8.310 nan 0.000 0.440 746 T N 0.066 114.667 114.554 0.078 0.000 2.777 746 T HA 0.137 4.481 4.350 -0.010 0.000 0.266 746 T C 1.945 176.707 174.700 0.103 0.000 1.040 746 T CA 1.282 63.434 62.100 0.087 0.000 1.141 746 T CB -0.838 68.075 68.868 0.075 0.000 0.868 746 T HN 0.412 nan 8.240 nan 0.000 0.444 747 A N 1.542 124.402 122.820 0.065 0.000 1.898 747 A HA -0.091 4.223 4.320 -0.010 0.000 0.216 747 A C 2.204 179.742 177.584 -0.077 0.000 1.181 747 A CA 1.999 54.007 52.037 -0.049 0.000 0.620 747 A CB -1.267 17.669 19.000 -0.106 0.000 0.819 747 A HN 0.762 nan 8.150 nan 0.000 0.442 748 H N -0.244 118.805 119.070 -0.035 0.000 2.352 748 H HA -0.145 4.405 4.556 -0.010 0.000 0.299 748 H C 2.095 177.483 175.328 0.100 0.000 1.097 748 H CA 2.329 58.407 56.048 0.051 0.000 1.311 748 H CB -0.152 29.642 29.762 0.053 0.000 1.377 748 H HN 0.584 nan 8.280 nan 0.000 0.504 749 Q N -1.084 118.742 119.800 0.043 0.000 2.119 749 Q HA -0.165 4.170 4.340 -0.010 0.000 0.201 749 Q C 2.159 178.160 176.000 0.001 0.000 0.972 749 Q CA 1.206 56.997 55.803 -0.020 0.000 0.847 749 Q CB -0.122 28.634 28.738 0.030 0.000 0.903 749 Q HN 0.627 nan 8.270 nan 0.000 0.433 750 H N 0.614 119.670 119.070 -0.024 0.000 2.389 750 H HA -0.071 4.479 4.556 -0.010 0.000 0.299 750 H C 2.000 177.349 175.328 0.035 0.000 1.081 750 H CA 1.241 57.315 56.048 0.043 0.000 1.345 750 H CB 0.059 29.907 29.762 0.143 0.000 1.393 750 H HN 0.284 nan 8.280 nan 0.000 0.520 751 I N -0.033 120.539 120.570 0.004 0.000 2.163 751 I HA -0.315 3.849 4.170 -0.010 0.000 0.240 751 I C 1.828 177.740 176.117 -0.341 0.000 1.081 751 I CA 1.246 62.453 61.300 -0.156 0.000 1.353 751 I CB -0.287 37.438 38.000 -0.458 0.000 1.054 751 I HN 0.118 nan 8.210 nan 0.000 0.407 752 Y N 0.799 120.884 120.300 -0.359 0.000 2.293 752 Y HA -0.216 4.328 4.550 -0.010 0.000 0.291 752 Y C 2.670 178.376 175.900 -0.323 0.000 1.137 752 Y CA 1.803 59.573 58.100 -0.550 0.000 1.202 752 Y CB -0.741 37.388 38.460 -0.551 0.000 0.990 752 Y HN 0.171 nan 8.280 nan 0.000 0.537 753 T N -1.468 113.034 114.554 -0.087 0.000 2.652 753 T HA -0.281 4.064 4.350 -0.010 0.000 0.267 753 T C 1.555 176.189 174.700 -0.109 0.000 1.039 753 T CA 2.042 64.067 62.100 -0.125 0.000 1.153 753 T CB -0.541 68.251 68.868 -0.127 0.000 0.863 753 T HN 0.446 nan 8.240 nan 0.000 0.428 754 H N 0.566 119.555 119.070 -0.134 0.000 2.353 754 H HA 0.119 4.669 4.556 -0.010 0.000 0.300 754 H C 2.205 177.532 175.328 -0.002 0.000 1.090 754 H CA 1.462 57.494 56.048 -0.026 0.000 1.327 754 H CB -0.214 29.521 29.762 -0.046 0.000 1.383 754 H HN 0.244 nan 8.280 nan 0.000 0.508 755 M N -0.815 118.743 119.600 -0.071 0.000 2.229 755 M HA -0.154 4.320 4.480 -0.010 0.000 0.264 755 M C 2.354 178.758 176.300 0.173 0.000 1.063 755 M CA 1.323 56.557 55.300 -0.109 0.000 1.114 755 M CB 0.053 32.296 32.600 -0.595 0.000 1.387 755 M HN 0.232 nan 8.290 nan 0.000 0.420 756 S N -0.516 115.306 115.700 0.203 0.000 2.356 756 S HA -0.167 4.297 4.470 -0.010 0.000 0.223 756 S C 1.566 176.240 174.600 0.122 0.000 1.032 756 S CA 1.319 59.719 58.200 0.333 0.000 1.005 756 S CB -0.576 62.800 63.200 0.294 0.000 0.867 756 S HN 0.556 nan 8.310 nan 0.000 0.449 757 H N -0.532 118.595 119.070 0.095 0.000 2.387 757 H HA -0.045 4.505 4.556 -0.010 0.000 0.299 757 H C 1.887 177.215 175.328 -0.001 0.000 1.090 757 H CA 1.631 57.687 56.048 0.014 0.000 1.332 757 H CB -0.205 29.513 29.762 -0.073 0.000 1.386 757 H HN 0.361 nan 8.280 nan 0.000 0.516 758 F N 0.970 120.903 119.950 -0.029 0.000 2.102 758 F HA -0.215 4.306 4.527 -0.010 0.000 0.298 758 F C 2.014 177.768 175.800 -0.077 0.000 1.105 758 F CA 1.078 59.037 58.000 -0.069 0.000 1.239 758 F CB -0.165 38.780 39.000 -0.093 0.000 0.991 758 F HN 0.049 nan 8.300 nan 0.000 0.474 759 I N 0.541 121.117 120.570 0.010 0.000 2.179 759 I HA -0.267 3.897 4.170 -0.010 0.000 0.242 759 I C 2.244 178.154 176.117 -0.345 0.000 1.088 759 I CA 1.493 62.635 61.300 -0.264 0.000 1.357 759 I CB -1.331 36.605 38.000 -0.106 0.000 1.051 759 I HN 0.200 nan 8.210 nan 0.000 0.409 760 K N 0.239 120.584 120.400 -0.093 0.000 2.057 760 K HA -0.252 4.062 4.320 -0.010 0.000 0.207 760 K C 2.121 178.703 176.600 -0.029 0.000 1.049 760 K CA 1.401 57.688 56.287 -0.000 0.000 0.931 760 K CB -0.157 32.386 32.500 0.072 0.000 0.714 760 K HN 0.162 nan 8.250 nan 0.000 0.440 761 Q N 0.814 120.554 119.800 -0.099 0.000 2.079 761 Q HA -0.168 4.166 4.340 -0.010 0.000 0.200 761 Q C 2.147 178.036 176.000 -0.186 0.000 0.974 761 Q CA 1.659 57.386 55.803 -0.127 0.000 0.840 761 Q CB -0.540 28.106 28.738 -0.153 0.000 0.898 761 Q HN 0.413 nan 8.270 nan 0.000 0.430 762 c N -0.504 117.873 118.600 -0.373 0.000 2.422 762 c HA -0.038 4.526 4.570 -0.010 0.000 0.279 762 c C 1.724 175.819 174.090 0.009 0.000 1.305 762 c CA 0.501 56.634 56.329 -0.328 0.000 1.757 762 c CB -1.205 40.950 42.510 -0.592 0.000 1.962 762 c HN 0.576 nan 8.230 nan 0.000 0.499 763 F N 1.276 121.184 119.950 -0.070 0.000 2.727 763 F HA 0.268 4.789 4.527 -0.010 0.000 0.302 763 F C 1.728 177.512 175.800 -0.027 0.000 1.097 763 F CA 0.395 58.376 58.000 -0.031 0.000 1.330 763 F CB -1.109 37.883 39.000 -0.014 0.000 1.084 763 F HN 0.222 nan 8.300 nan 0.000 0.578 764 S N 0.523 116.303 115.700 0.133 0.000 3.586 764 S HA -0.191 4.273 4.470 -0.010 0.000 0.309 764 S C 0.177 174.817 174.600 0.066 0.000 1.195 764 S CA 0.128 58.369 58.200 0.069 0.000 0.895 764 S CB -2.024 61.206 63.200 0.052 0.000 0.983 764 S HN 0.226 nan 8.310 nan 0.000 0.563 765 L N 1.901 123.176 121.223 0.087 0.000 2.350 765 L HA 0.501 4.835 4.340 -0.010 0.000 0.275 765 L C -1.169 175.740 176.870 0.064 0.000 1.099 765 L CA -1.742 53.143 54.840 0.075 0.000 0.808 765 L CB 0.150 42.266 42.059 0.095 0.000 1.149 765 L HN 0.038 nan 8.230 nan 0.000 0.442 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.057 0.000 0.800 766 P CB 0.000 31.726 31.700 0.043 0.000 0.726