REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3nox_1_B DATA FIRST_RESID 40 DATA SEQUENCE RKTYTLTDYL KNTYRLKLYS LRWISDHEYL YKQENNILVF NAEYGNSSVF DATA SEQUENCE LENSTFDEFG HSINDYSISP DGQFILLEYN YVKQWRHSYT ASYDIYDLNK DATA SEQUENCE RQLITEERIP NNTQWVTWSP VGHKLAYVWN NDIYVKIEPN LPSYRITWTG DATA SEQUENCE KEDIIYNGIT DWVYEEEVFS AYSALWWSPN GTFLAYAQFN DTEVPLIEYS DATA SEQUENCE FYSDESLQYP KTVRVPYPKA GAVNPTVKFF VVNTDSLSSV TNATSIQITA DATA SEQUENCE PASMLIGDHY LCDVTWATQE RISLQWLRRI QNYSVMDIcD YDESSGRWNc DATA SEQUENCE LVARQHIEMS TTGWVGRFRP SEPHFTLDGN SFYKIISNEE GYRHIcYFQI DATA SEQUENCE DKKDcTFITK GTWEVIGIEA LTSDYLYYIS NEYKGMPGGR NLYKIQLSDY DATA SEQUENCE TKVTCLSCEL NPERcQYYSV SFSKEAKYYQ LRcSGPGLPL YTLHSSVNDK DATA SEQUENCE GLRVLEDNSA LDKMLQNVQM PSKKLDFIIL NETKFWYQMI LPPHFDKSKK DATA SEQUENCE YPLLLDVYAG PCSQKADTVF RLNWATYLAS TENIIVASFD GRGSGYQGDK DATA SEQUENCE IMHAINRRLG TFEVEDQIEA ARQFSKMGFV DNKRIAIWGW SYGGYVTSMV DATA SEQUENCE LGSGSGVFKc GIAVAPVSRW EYYDSVYTER YMGLPTPEDN LDHYRNSTVM DATA SEQUENCE SRAENFKQVE YLLIHGTADD NVHFQQSAQI SKALVDVGVD FQAMWYTDED DATA SEQUENCE HGIASSTAHQ HIYTHMSHFI KQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 40 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.350 176.300 0.083 0.000 0.893 40 R CA 0.000 56.145 56.100 0.075 0.000 0.921 40 R CB 0.000 30.352 30.300 0.086 0.000 0.687 41 K N -0.128 120.324 120.400 0.086 0.000 2.155 41 K HA 0.544 4.864 4.320 -0.000 0.000 0.237 41 K C 0.233 176.895 176.600 0.103 0.000 1.040 41 K CA -0.376 55.968 56.287 0.095 0.000 0.912 41 K CB 1.207 33.770 32.500 0.104 0.000 1.137 41 K HN 0.322 nan 8.250 nan 0.000 0.498 42 T N -0.551 114.073 114.554 0.117 0.000 2.950 42 T HA 0.361 4.711 4.350 -0.000 0.000 0.288 42 T C -1.451 173.363 174.700 0.189 0.000 1.035 42 T CA -0.578 61.601 62.100 0.133 0.000 1.028 42 T CB 0.591 69.531 68.868 0.121 0.000 1.109 42 T HN 0.537 nan 8.240 nan 0.000 0.514 43 Y N 3.441 123.793 120.300 0.087 0.000 2.585 43 Y HA 0.335 4.885 4.550 -0.000 0.000 0.354 43 Y C 0.941 176.997 175.900 0.260 0.000 1.024 43 Y CA -0.529 57.656 58.100 0.141 0.000 1.321 43 Y CB -0.203 38.296 38.460 0.065 0.000 1.151 43 Y HN 0.602 nan 8.280 nan 0.000 0.525 44 T N 2.766 117.306 114.554 -0.023 0.000 2.918 44 T HA 0.129 4.478 4.350 -0.000 0.000 0.283 44 T C 1.069 175.693 174.700 -0.127 0.000 1.001 44 T CA -0.844 61.300 62.100 0.074 0.000 1.041 44 T CB 1.402 70.285 68.868 0.026 0.000 1.028 44 T HN 0.694 nan 8.240 nan 0.000 0.511 45 L N 2.303 123.303 121.223 -0.371 0.000 2.021 45 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 45 L C 2.613 179.350 176.870 -0.222 0.000 1.074 45 L CA 2.329 56.803 54.840 -0.610 0.000 0.760 45 L CB -1.603 39.951 42.059 -0.842 0.000 0.889 45 L HN 0.986 nan 8.230 nan 0.000 0.433 46 T N -0.393 114.056 114.554 -0.176 0.000 2.699 46 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 46 T C 1.484 176.105 174.700 -0.131 0.000 1.036 46 T CA 1.573 63.599 62.100 -0.123 0.000 1.147 46 T CB -0.431 68.385 68.868 -0.086 0.000 0.862 46 T HN 0.455 nan 8.240 nan 0.000 0.446 47 D N -0.062 120.229 120.400 -0.182 0.000 2.123 47 D HA -0.101 4.539 4.640 -0.000 0.000 0.196 47 D C 1.719 177.954 176.300 -0.108 0.000 0.992 47 D CA 1.030 54.904 54.000 -0.211 0.000 0.833 47 D CB -0.409 40.162 40.800 -0.382 0.000 0.954 47 D HN 0.435 nan 8.370 nan 0.000 0.455 48 Y N 1.370 121.524 120.300 -0.245 0.000 2.133 48 Y HA -0.092 4.458 4.550 -0.000 0.000 0.287 48 Y C 2.144 178.047 175.900 0.006 0.000 1.134 48 Y CA 1.228 59.328 58.100 0.002 0.000 1.133 48 Y CB -0.573 37.928 38.460 0.069 0.000 0.987 48 Y HN -0.092 nan 8.280 nan 0.000 0.502 49 L N -0.151 120.905 121.223 -0.278 0.000 2.240 49 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 49 L C 1.945 178.711 176.870 -0.174 0.000 1.106 49 L CA 0.974 55.620 54.840 -0.324 0.000 0.793 49 L CB -0.363 41.571 42.059 -0.207 0.000 0.927 49 L HN 0.018 nan 8.230 nan 0.000 0.446 50 K N -0.134 120.189 120.400 -0.127 0.000 2.367 50 K HA 0.047 4.367 4.320 -0.000 0.000 0.194 50 K C 0.285 176.836 176.600 -0.082 0.000 1.027 50 K CA 0.012 56.243 56.287 -0.093 0.000 1.075 50 K CB -0.231 32.217 32.500 -0.087 0.000 0.845 50 K HN 0.298 nan 8.250 nan 0.000 0.529 51 N N 1.495 120.154 118.700 -0.067 0.000 2.758 51 N HA -0.189 4.551 4.740 -0.000 0.000 0.248 51 N C -0.021 175.471 175.510 -0.029 0.000 1.076 51 N CA 0.424 53.470 53.050 -0.007 0.000 0.696 51 N CB -0.669 37.805 38.487 -0.022 0.000 0.979 51 N HN 0.054 nan 8.380 nan 0.000 0.550 52 T N -0.235 114.251 114.554 -0.112 0.000 2.759 52 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 52 T C 0.204 174.666 174.700 -0.396 0.000 1.042 52 T CA 1.391 63.296 62.100 -0.326 0.000 1.140 52 T CB -0.155 68.368 68.868 -0.574 0.000 0.864 52 T HN 0.383 nan 8.240 nan 0.000 0.455 53 Y N 1.718 122.103 120.300 0.142 0.000 2.491 53 Y HA 0.485 5.035 4.550 -0.000 0.000 0.334 53 Y C 0.407 176.410 175.900 0.171 0.000 0.969 53 Y CA -1.023 57.183 58.100 0.178 0.000 1.241 53 Y CB 0.409 39.032 38.460 0.272 0.000 1.105 53 Y HN -0.152 nan 8.280 nan 0.000 0.503 54 R N 3.167 123.799 120.500 0.219 0.000 2.346 54 R HA 0.535 4.875 4.340 -0.000 0.000 0.311 54 R C -0.884 175.519 176.300 0.171 0.000 0.983 54 R CA -0.799 55.399 56.100 0.163 0.000 0.880 54 R CB 1.356 31.710 30.300 0.090 0.000 1.100 54 R HN 0.595 nan 8.270 nan 0.000 0.453 55 L N 3.499 124.826 121.223 0.172 0.000 2.331 55 L HA 0.258 4.598 4.340 -0.000 0.000 0.278 55 L C 0.353 177.301 176.870 0.129 0.000 1.106 55 L CA -0.032 54.907 54.840 0.166 0.000 0.824 55 L CB 0.568 42.743 42.059 0.194 0.000 1.142 55 L HN 0.373 nan 8.230 nan 0.000 0.443 56 K N 4.268 124.741 120.400 0.123 0.000 2.130 56 K HA 0.640 4.960 4.320 -0.000 0.000 0.268 56 K C -0.690 175.958 176.600 0.080 0.000 0.983 56 K CA -0.583 55.755 56.287 0.085 0.000 0.893 56 K CB 1.656 34.201 32.500 0.075 0.000 1.066 56 K HN 0.398 nan 8.250 nan 0.000 0.450 57 L N 1.075 122.276 121.223 -0.037 0.000 2.267 57 L HA 0.504 4.844 4.340 -0.000 0.000 0.264 57 L C -0.884 175.702 176.870 -0.474 0.000 1.021 57 L CA -1.116 53.565 54.840 -0.266 0.000 0.861 57 L CB 0.672 42.680 42.059 -0.086 0.000 1.443 57 L HN 0.515 nan 8.230 nan 0.000 0.475 58 Y N 0.580 120.301 120.300 -0.966 0.000 2.517 58 Y HA 0.296 4.846 4.550 -0.000 0.000 0.346 58 Y C -0.368 175.336 175.900 -0.328 0.000 1.113 58 Y CA -0.470 57.284 58.100 -0.576 0.000 1.295 58 Y CB 1.489 39.487 38.460 -0.770 0.000 1.094 58 Y HN 0.455 nan 8.280 nan 0.000 0.608 59 S N 5.852 121.477 115.700 -0.124 0.000 2.475 59 S HA 0.748 5.218 4.470 -0.000 0.000 0.281 59 S C -0.875 173.696 174.600 -0.048 0.000 1.198 59 S CA -0.406 57.768 58.200 -0.044 0.000 1.063 59 S CB -0.156 63.030 63.200 -0.022 0.000 0.972 59 S HN 0.605 nan 8.310 nan 0.000 0.486 60 L N 2.853 124.015 121.223 -0.101 0.000 2.350 60 L HA 0.873 5.213 4.340 -0.000 0.000 0.260 60 L C -0.853 175.932 176.870 -0.140 0.000 1.015 60 L CA -1.161 53.574 54.840 -0.175 0.000 0.821 60 L CB 1.775 43.434 42.059 -0.666 0.000 1.370 60 L HN 0.648 nan 8.230 nan 0.000 0.416 61 R N 0.046 120.507 120.500 -0.066 0.000 2.439 61 R HA 0.535 4.875 4.340 -0.000 0.000 0.310 61 R C -1.865 174.453 176.300 0.029 0.000 0.955 61 R CA -0.539 55.570 56.100 0.016 0.000 0.853 61 R CB 0.680 31.036 30.300 0.094 0.000 1.171 61 R HN 0.677 nan 8.270 nan 0.000 0.449 62 W N 3.467 124.870 121.300 0.171 0.000 2.308 62 W HA 0.101 4.761 4.660 -0.000 0.000 0.324 62 W C 0.716 177.315 176.519 0.134 0.000 1.387 62 W CA -0.323 57.134 57.345 0.186 0.000 1.250 62 W CB 0.349 29.918 29.460 0.181 0.000 1.257 62 W HN 0.581 nan 8.180 nan 0.000 0.554 63 I N 2.444 123.212 120.570 0.331 0.000 3.708 63 I HA -0.004 4.166 4.170 -0.000 0.000 0.302 63 I C 1.018 177.218 176.117 0.138 0.000 1.255 63 I CA 0.734 62.127 61.300 0.154 0.000 1.362 63 I CB -0.224 37.788 38.000 0.020 0.000 1.100 63 I HN 0.372 nan 8.210 nan 0.000 0.434 64 S N -1.504 114.318 115.700 0.204 0.000 2.800 64 S HA 0.184 4.654 4.470 -0.000 0.000 0.293 64 S C 0.237 174.971 174.600 0.223 0.000 1.209 64 S CA -0.095 58.193 58.200 0.146 0.000 0.884 64 S CB 0.379 63.576 63.200 -0.005 0.000 1.244 64 S HN 0.183 nan 8.310 nan 0.000 0.540 65 D N 0.116 120.650 120.400 0.224 0.000 2.348 65 D HA -0.081 4.559 4.640 -0.000 0.000 0.216 65 D C 1.048 177.592 176.300 0.406 0.000 0.970 65 D CA 1.803 55.949 54.000 0.244 0.000 0.889 65 D CB -0.557 40.389 40.800 0.244 0.000 0.912 65 D HN 0.943 nan 8.370 nan 0.000 0.524 66 H N -1.788 117.491 119.070 0.349 0.000 3.650 66 H HA 0.337 4.893 4.556 -0.000 0.000 0.260 66 H C -0.225 175.298 175.328 0.326 0.000 1.194 66 H CA -0.640 55.644 56.048 0.394 0.000 1.135 66 H CB 0.189 30.150 29.762 0.332 0.000 1.612 66 H HN 0.125 nan 8.280 nan 0.000 0.703 67 E N 0.765 120.981 120.200 0.026 0.000 2.369 67 E HA 0.428 4.778 4.350 -0.000 0.000 0.270 67 E C -1.329 175.376 176.600 0.175 0.000 0.909 67 E CA -1.504 54.902 56.400 0.010 0.000 0.775 67 E CB 2.345 31.920 29.700 -0.208 0.000 1.270 67 E HN 0.307 nan 8.360 nan 0.000 0.445 68 Y N -0.845 119.418 120.300 -0.063 0.000 2.609 68 Y HA 0.670 5.220 4.550 -0.000 0.000 0.342 68 Y C -1.529 174.343 175.900 -0.047 0.000 1.058 68 Y CA -1.492 56.489 58.100 -0.197 0.000 1.055 68 Y CB 1.014 39.041 38.460 -0.721 0.000 1.292 68 Y HN 0.442 nan 8.280 nan 0.000 0.476 69 L N 2.128 123.479 121.223 0.214 0.000 2.352 69 L HA 0.556 4.896 4.340 -0.000 0.000 0.269 69 L C -1.401 175.710 176.870 0.400 0.000 1.034 69 L CA -1.129 53.836 54.840 0.208 0.000 0.806 69 L CB 1.745 43.857 42.059 0.088 0.000 1.244 69 L HN 0.782 nan 8.230 nan 0.000 0.447 70 Y N 1.620 122.034 120.300 0.190 0.000 2.348 70 Y HA 0.263 4.813 4.550 -0.000 0.000 0.321 70 Y C -0.870 175.060 175.900 0.051 0.000 1.163 70 Y CA -1.233 56.909 58.100 0.070 0.000 1.070 70 Y CB 1.267 39.744 38.460 0.028 0.000 1.250 70 Y HN 0.457 nan 8.280 nan 0.000 0.425 71 K N 5.229 125.328 120.400 -0.501 0.000 2.312 71 K HA 0.317 4.637 4.320 -0.000 0.000 0.287 71 K C -0.929 175.233 176.600 -0.730 0.000 1.062 71 K CA -0.265 55.764 56.287 -0.430 0.000 0.934 71 K CB 0.682 33.067 32.500 -0.193 0.000 1.027 71 K HN 0.829 nan 8.250 nan 0.000 0.478 72 Q N 4.391 123.935 119.800 -0.428 0.000 2.414 72 Q HA 0.087 4.427 4.340 -0.000 0.000 0.256 72 Q C -1.320 174.597 176.000 -0.139 0.000 0.974 72 Q CA -0.121 55.498 55.803 -0.306 0.000 0.723 72 Q CB 0.939 29.615 28.738 -0.102 0.000 1.281 72 Q HN 0.829 nan 8.270 nan 0.000 0.470 73 E N 2.735 122.861 120.200 -0.123 0.000 2.358 73 E HA -0.269 4.081 4.350 -0.000 0.000 0.246 73 E C -0.445 176.105 176.600 -0.082 0.000 1.127 73 E CA 0.598 56.951 56.400 -0.078 0.000 0.726 73 E CB -1.347 28.325 29.700 -0.047 0.000 1.272 73 E HN 0.988 nan 8.360 nan 0.000 0.390 74 N N -0.771 117.870 118.700 -0.098 0.000 2.690 74 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 74 N C -0.750 174.697 175.510 -0.105 0.000 1.125 74 N CA 1.446 54.441 53.050 -0.091 0.000 0.794 74 N CB -0.460 37.989 38.487 -0.063 0.000 1.152 74 N HN 0.424 nan 8.380 nan 0.000 0.571 75 N N 0.683 119.317 118.700 -0.109 0.000 2.438 75 N HA 0.334 5.074 4.740 -0.000 0.000 0.282 75 N C -0.261 175.179 175.510 -0.116 0.000 1.037 75 N CA -0.207 52.781 53.050 -0.103 0.000 0.942 75 N CB 1.109 39.551 38.487 -0.075 0.000 1.136 75 N HN 0.160 nan 8.380 nan 0.000 0.481 76 I N 3.281 123.783 120.570 -0.113 0.000 2.315 76 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 76 I C 0.016 176.142 176.117 0.016 0.000 1.006 76 I CA -0.399 60.847 61.300 -0.090 0.000 1.265 76 I CB 0.728 38.625 38.000 -0.170 0.000 1.387 76 I HN 0.209 nan 8.210 nan 0.000 0.475 77 L N 6.738 127.990 121.223 0.048 0.000 2.334 77 L HA 0.612 4.952 4.340 -0.000 0.000 0.273 77 L C -0.474 176.395 176.870 -0.002 0.000 1.013 77 L CA -1.095 53.754 54.840 0.015 0.000 0.816 77 L CB 2.109 44.185 42.059 0.028 0.000 1.278 77 L HN 0.235 nan 8.230 nan 0.000 0.431 78 V N 1.643 121.465 119.914 -0.152 0.000 2.472 78 V HA 0.437 4.557 4.120 -0.000 0.000 0.290 78 V C -0.671 175.188 176.094 -0.392 0.000 1.037 78 V CA -0.378 61.806 62.300 -0.193 0.000 0.908 78 V CB 1.421 33.154 31.823 -0.151 0.000 0.985 78 V HN 0.371 nan 8.190 nan 0.000 0.454 79 F N 2.556 122.237 119.950 -0.449 0.000 2.529 79 F HA 0.410 4.937 4.527 -0.000 0.000 0.320 79 F C 0.405 175.930 175.800 -0.459 0.000 1.118 79 F CA -0.604 57.067 58.000 -0.548 0.000 0.915 79 F CB 1.690 40.045 39.000 -1.076 0.000 1.161 79 F HN 0.450 nan 8.300 nan 0.000 0.445 80 N N 2.347 121.010 118.700 -0.061 0.000 2.430 80 N HA 0.203 4.943 4.740 -0.000 0.000 0.265 80 N C 0.602 176.102 175.510 -0.016 0.000 1.100 80 N CA 0.274 53.341 53.050 0.028 0.000 0.961 80 N CB 1.750 40.319 38.487 0.136 0.000 1.075 80 N HN 0.840 nan 8.380 nan 0.000 0.478 81 A N 3.920 126.685 122.820 -0.091 0.000 1.877 81 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 81 A C 1.878 179.187 177.584 -0.459 0.000 1.186 81 A CA 1.487 53.351 52.037 -0.288 0.000 0.620 81 A CB -0.460 18.189 19.000 -0.584 0.000 0.822 81 A HN 0.778 nan 8.150 nan 0.000 0.443 82 E N -1.272 118.625 120.200 -0.506 0.000 2.150 82 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 82 E C 1.170 177.416 176.600 -0.589 0.000 0.985 82 E CA 1.566 57.655 56.400 -0.520 0.000 0.814 82 E CB -0.284 29.112 29.700 -0.506 0.000 0.752 82 E HN 0.741 nan 8.360 nan 0.000 0.466 83 Y N -2.272 118.013 120.300 -0.026 0.000 2.430 83 Y HA 0.364 4.914 4.550 -0.000 0.000 0.254 83 Y C 1.585 177.485 175.900 0.001 0.000 1.088 83 Y CA 0.214 58.311 58.100 -0.005 0.000 1.267 83 Y CB 0.994 39.457 38.460 0.005 0.000 1.204 83 Y HN 0.124 nan 8.280 nan 0.000 0.515 84 G N 1.290 110.158 108.800 0.113 0.000 2.162 84 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 84 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 84 G C 0.071 175.075 174.900 0.173 0.000 0.976 84 G CA 0.268 45.449 45.100 0.136 0.000 0.655 84 G HN 0.485 nan 8.290 nan 0.000 0.533 85 N N 0.388 119.153 118.700 0.109 0.000 2.503 85 N HA 0.527 5.267 4.740 -0.000 0.000 0.267 85 N C 0.118 175.543 175.510 -0.141 0.000 1.214 85 N CA 0.711 53.766 53.050 0.008 0.000 0.959 85 N CB 1.504 39.993 38.487 0.002 0.000 1.142 85 N HN 0.853 nan 8.380 nan 0.000 0.455 86 S N -0.005 115.524 115.700 -0.285 0.000 2.697 86 S HA 0.740 5.210 4.470 -0.000 0.000 0.289 86 S C -1.008 173.394 174.600 -0.330 0.000 1.149 86 S CA -0.843 57.028 58.200 -0.549 0.000 0.850 86 S CB 1.527 63.981 63.200 -1.242 0.000 1.151 86 S HN 0.628 nan 8.310 nan 0.000 0.491 87 S N 0.408 115.917 115.700 -0.318 0.000 2.543 87 S HA 0.452 4.922 4.470 -0.000 0.000 0.271 87 S C -0.941 173.579 174.600 -0.135 0.000 1.148 87 S CA -0.707 57.390 58.200 -0.172 0.000 0.914 87 S CB 1.648 64.789 63.200 -0.099 0.000 1.096 87 S HN 1.217 nan 8.310 nan 0.000 0.471 88 V N 4.877 124.730 119.914 -0.100 0.000 2.450 88 V HA 0.241 4.361 4.120 -0.000 0.000 0.281 88 V C 0.401 176.488 176.094 -0.012 0.000 1.019 88 V CA 0.484 62.747 62.300 -0.062 0.000 1.062 88 V CB -0.043 31.733 31.823 -0.078 0.000 0.979 88 V HN 0.928 nan 8.190 nan 0.000 0.477 89 F N 6.451 126.323 119.950 -0.130 0.000 2.473 89 F HA 0.429 4.956 4.527 -0.000 0.000 0.294 89 F C 0.556 176.283 175.800 -0.121 0.000 1.103 89 F CA 0.496 58.428 58.000 -0.113 0.000 1.442 89 F CB 0.453 39.392 39.000 -0.101 0.000 1.097 89 F HN 0.434 nan 8.300 nan 0.000 0.547 90 L N 1.445 122.620 121.223 -0.080 0.000 2.737 90 L HA 0.228 4.568 4.340 -0.000 0.000 0.261 90 L C -1.267 175.508 176.870 -0.158 0.000 0.949 90 L CA -0.833 53.898 54.840 -0.181 0.000 0.952 90 L CB 1.173 43.151 42.059 -0.135 0.000 1.337 90 L HN -0.155 nan 8.230 nan 0.000 0.430 91 E N 1.947 122.034 120.200 -0.188 0.000 2.398 91 E HA 0.039 4.389 4.350 -0.000 0.000 0.263 91 E C 0.813 177.317 176.600 -0.159 0.000 1.046 91 E CA -0.203 56.103 56.400 -0.158 0.000 0.908 91 E CB 0.424 30.029 29.700 -0.159 0.000 0.963 91 E HN 0.600 nan 8.360 nan 0.000 0.431 92 N N 1.157 119.787 118.700 -0.117 0.000 2.223 92 N HA -0.247 4.493 4.740 -0.000 0.000 0.185 92 N C 1.343 176.793 175.510 -0.099 0.000 1.016 92 N CA 1.520 54.513 53.050 -0.095 0.000 0.863 92 N CB -0.724 37.720 38.487 -0.071 0.000 0.983 92 N HN 0.436 nan 8.380 nan 0.000 0.429 93 S N -0.474 115.158 115.700 -0.114 0.000 2.387 93 S HA -0.156 4.314 4.470 -0.000 0.000 0.230 93 S C 0.631 175.130 174.600 -0.168 0.000 1.035 93 S CA 0.931 59.062 58.200 -0.116 0.000 1.014 93 S CB -1.525 61.608 63.200 -0.112 0.000 0.836 93 S HN 0.433 nan 8.310 nan 0.000 0.466 94 T N 2.024 116.403 114.554 -0.290 0.000 2.940 94 T HA 0.335 4.685 4.350 -0.000 0.000 0.309 94 T C 0.101 174.531 174.700 -0.450 0.000 1.056 94 T CA 0.363 62.122 62.100 -0.568 0.000 1.137 94 T CB -0.210 68.055 68.868 -1.006 0.000 0.976 94 T HN 0.407 nan 8.240 nan 0.000 0.547 95 F N -0.592 119.299 119.950 -0.099 0.000 2.746 95 F HA -0.179 4.348 4.527 -0.000 0.000 0.315 95 F C 1.031 176.830 175.800 -0.002 0.000 0.666 95 F CA 0.085 58.058 58.000 -0.045 0.000 1.381 95 F CB -2.432 36.456 39.000 -0.187 0.000 1.739 95 F HN 0.560 nan 8.300 nan 0.000 0.322 96 D N 0.334 120.783 120.400 0.082 0.000 2.384 96 D HA -0.041 4.599 4.640 -0.000 0.000 0.222 96 D C 1.909 178.246 176.300 0.062 0.000 0.976 96 D CA 1.349 55.380 54.000 0.052 0.000 0.915 96 D CB 0.054 40.852 40.800 -0.002 0.000 0.896 96 D HN 0.483 nan 8.370 nan 0.000 0.523 97 E N -1.093 119.169 120.200 0.103 0.000 2.676 97 E HA 0.047 4.397 4.350 -0.000 0.000 0.222 97 E C 1.160 177.810 176.600 0.084 0.000 0.968 97 E CA -0.426 56.013 56.400 0.065 0.000 1.090 97 E CB -0.544 29.181 29.700 0.042 0.000 1.066 97 E HN 0.264 nan 8.360 nan 0.000 0.496 98 F N 1.038 120.990 119.950 0.003 0.000 2.171 98 F HA 0.147 4.674 4.527 -0.000 0.000 0.300 98 F C 2.003 177.655 175.800 -0.247 0.000 1.090 98 F CA 2.597 60.565 58.000 -0.053 0.000 1.293 98 F CB 0.055 39.017 39.000 -0.063 0.000 1.013 98 F HN 0.393 nan 8.300 nan 0.000 0.486 99 G N -1.510 107.079 108.800 -0.351 0.000 2.391 99 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.204 99 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.204 99 G C -0.089 174.409 174.900 -0.669 0.000 1.012 99 G CA 0.029 44.728 45.100 -0.670 0.000 0.651 99 G HN 0.624 nan 8.290 nan 0.000 0.494 100 H N 0.126 119.189 119.070 -0.012 0.000 2.834 100 H HA 0.780 5.336 4.556 -0.000 0.000 0.369 100 H C -0.041 175.404 175.328 0.195 0.000 1.174 100 H CA -0.103 56.015 56.048 0.117 0.000 1.165 100 H CB 1.575 31.439 29.762 0.169 0.000 1.820 100 H HN 0.210 nan 8.280 nan 0.000 0.558 101 S N 0.619 116.482 115.700 0.271 0.000 2.549 101 S HA 0.249 4.719 4.470 -0.000 0.000 0.279 101 S C -0.117 174.573 174.600 0.150 0.000 1.321 101 S CA -0.549 57.746 58.200 0.158 0.000 1.054 101 S CB -0.164 63.101 63.200 0.109 0.000 0.899 101 S HN 0.380 nan 8.310 nan 0.000 0.497 102 I N 5.361 125.953 120.570 0.038 0.000 2.339 102 I HA 0.233 4.403 4.170 -0.000 0.000 0.290 102 I C 1.400 177.498 176.117 -0.031 0.000 0.994 102 I CA -0.421 60.858 61.300 -0.036 0.000 1.191 102 I CB 1.331 39.199 38.000 -0.219 0.000 1.343 102 I HN 0.741 nan 8.210 nan 0.000 0.458 103 N N 3.911 122.591 118.700 -0.033 0.000 2.290 103 N HA -0.023 4.717 4.740 -0.000 0.000 0.179 103 N C 0.151 175.598 175.510 -0.105 0.000 1.016 103 N CA 1.019 54.005 53.050 -0.107 0.000 0.871 103 N CB 0.660 39.041 38.487 -0.177 0.000 0.987 103 N HN 0.660 nan 8.380 nan 0.000 0.431 104 D N -2.071 118.302 120.400 -0.044 0.000 2.779 104 D HA 0.194 4.834 4.640 -0.000 0.000 0.331 104 D C -1.691 174.677 176.300 0.112 0.000 1.331 104 D CA -0.343 53.651 54.000 -0.009 0.000 0.866 104 D CB 1.382 42.139 40.800 -0.073 0.000 1.409 104 D HN 0.054 nan 8.370 nan 0.000 0.486 105 Y N -1.494 118.832 120.300 0.043 0.000 2.641 105 Y HA 0.638 5.188 4.550 -0.000 0.000 0.333 105 Y C -1.594 174.399 175.900 0.155 0.000 1.174 105 Y CA -0.814 57.337 58.100 0.084 0.000 1.057 105 Y CB 1.412 39.900 38.460 0.048 0.000 1.322 105 Y HN 0.148 nan 8.280 nan 0.000 0.457 106 S N 2.508 118.461 115.700 0.421 0.000 2.652 106 S HA 0.608 5.078 4.470 -0.000 0.000 0.273 106 S C -1.634 173.315 174.600 0.582 0.000 1.172 106 S CA -0.508 57.935 58.200 0.405 0.000 1.009 106 S CB 0.278 63.687 63.200 0.348 0.000 1.094 106 S HN 0.717 nan 8.310 nan 0.000 0.471 107 I N 4.393 125.182 120.570 0.365 0.000 2.365 107 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 107 I C 0.996 176.923 176.117 -0.318 0.000 1.004 107 I CA -0.420 60.959 61.300 0.133 0.000 1.311 107 I CB 1.805 39.882 38.000 0.127 0.000 1.401 107 I HN 0.740 nan 8.210 nan 0.000 0.491 108 S N 5.951 121.140 115.700 -0.851 0.000 2.576 108 S HA 0.122 4.592 4.470 -0.000 0.000 0.272 108 S C -1.847 172.456 174.600 -0.495 0.000 1.352 108 S CA -0.921 56.480 58.200 -1.332 0.000 1.021 108 S CB 0.185 62.520 63.200 -1.441 0.000 0.887 108 S HN 0.439 nan 8.310 nan 0.000 0.542 109 P HA -0.091 nan 4.420 nan 0.000 0.221 109 P C 0.734 177.964 177.300 -0.116 0.000 1.145 109 P CA 1.331 64.342 63.100 -0.149 0.000 0.795 109 P CB -0.140 31.498 31.700 -0.103 0.000 0.775 110 D N -1.967 118.354 120.400 -0.132 0.000 2.349 110 D HA 0.091 4.731 4.640 -0.000 0.000 0.214 110 D C 1.309 177.583 176.300 -0.043 0.000 1.063 110 D CA 0.329 54.290 54.000 -0.064 0.000 0.847 110 D CB -1.048 39.732 40.800 -0.033 0.000 0.933 110 D HN 0.133 nan 8.370 nan 0.000 0.513 111 G N 0.855 109.616 108.800 -0.064 0.000 2.203 111 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.263 111 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.263 111 G C 0.853 175.771 174.900 0.031 0.000 1.012 111 G CA 0.740 45.874 45.100 0.057 0.000 0.749 111 G HN 0.468 nan 8.290 nan 0.000 0.512 112 Q N -1.835 117.891 119.800 -0.123 0.000 2.297 112 Q HA 0.323 4.663 4.340 -0.000 0.000 0.203 112 Q C 0.437 176.036 176.000 -0.669 0.000 0.931 112 Q CA 0.760 56.322 55.803 -0.402 0.000 0.885 112 Q CB 0.453 28.895 28.738 -0.494 0.000 0.991 112 Q HN 0.595 nan 8.270 nan 0.000 0.498 113 F N -0.536 119.393 119.950 -0.035 0.000 2.620 113 F HA 0.556 5.083 4.527 -0.000 0.000 0.320 113 F C -0.485 175.388 175.800 0.122 0.000 1.069 113 F CA -1.158 56.889 58.000 0.078 0.000 0.953 113 F CB 1.796 40.897 39.000 0.170 0.000 1.322 113 F HN -0.219 nan 8.300 nan 0.000 0.479 114 I N 2.173 123.072 120.570 0.549 0.000 2.619 114 I HA 0.429 4.599 4.170 -0.000 0.000 0.292 114 I C -1.678 174.779 176.117 0.567 0.000 1.100 114 I CA -0.685 60.929 61.300 0.522 0.000 1.043 114 I CB 1.692 39.932 38.000 0.401 0.000 1.239 114 I HN 0.461 nan 8.210 nan 0.000 0.420 115 L N 7.387 128.971 121.223 0.601 0.000 2.326 115 L HA 0.414 4.754 4.340 -0.000 0.000 0.278 115 L C -0.835 176.207 176.870 0.287 0.000 1.092 115 L CA -0.575 54.507 54.840 0.403 0.000 0.810 115 L CB 1.203 43.441 42.059 0.298 0.000 1.153 115 L HN 0.485 nan 8.230 nan 0.000 0.439 116 L N 4.190 125.530 121.223 0.195 0.000 2.316 116 L HA 0.396 4.736 4.340 -0.000 0.000 0.280 116 L C -0.091 176.856 176.870 0.129 0.000 1.006 116 L CA -0.349 54.499 54.840 0.014 0.000 0.836 116 L CB 1.612 43.450 42.059 -0.369 0.000 1.221 116 L HN 0.594 nan 8.230 nan 0.000 0.418 117 E N 4.353 124.583 120.200 0.051 0.000 2.200 117 E HA 0.411 4.761 4.350 -0.000 0.000 0.283 117 E C -1.541 175.043 176.600 -0.026 0.000 1.015 117 E CA -0.437 55.853 56.400 -0.184 0.000 0.819 117 E CB 0.925 30.558 29.700 -0.111 0.000 1.081 117 E HN 0.443 nan 8.360 nan 0.000 0.397 118 Y N 1.771 121.906 120.300 -0.275 0.000 2.689 118 Y HA 0.410 4.960 4.550 -0.000 0.000 0.333 118 Y C -0.254 175.566 175.900 -0.134 0.000 1.190 118 Y CA -1.701 56.325 58.100 -0.122 0.000 1.063 118 Y CB 0.434 38.911 38.460 0.028 0.000 1.294 118 Y HN 0.518 nan 8.280 nan 0.000 0.466 119 N N -0.051 118.603 118.700 -0.078 0.000 2.721 119 N HA -0.296 4.444 4.740 -0.000 0.000 0.249 119 N C -1.031 174.422 175.510 -0.095 0.000 1.072 119 N CA 1.054 54.015 53.050 -0.148 0.000 0.710 119 N CB -1.452 36.825 38.487 -0.350 0.000 0.993 119 N HN 0.844 nan 8.380 nan 0.000 0.547 120 Y N 0.139 120.343 120.300 -0.159 0.000 2.632 120 Y HA 0.290 4.840 4.550 -0.000 0.000 0.329 120 Y C 0.010 175.860 175.900 -0.084 0.000 1.174 120 Y CA -0.120 57.889 58.100 -0.150 0.000 1.469 120 Y CB 0.664 38.984 38.460 -0.233 0.000 1.242 120 Y HN -0.010 nan 8.280 nan 0.000 0.540 121 V N 7.719 127.369 119.914 -0.440 0.000 2.487 121 V HA 0.262 4.382 4.120 -0.000 0.000 0.298 121 V C -0.328 175.378 176.094 -0.645 0.000 1.028 121 V CA -1.446 60.607 62.300 -0.412 0.000 0.860 121 V CB 1.467 33.164 31.823 -0.210 0.000 0.991 121 V HN 0.723 nan 8.190 nan 0.000 0.427 122 K N 3.722 123.802 120.400 -0.534 0.000 2.322 122 K HA 0.306 4.626 4.320 -0.000 0.000 0.283 122 K C 0.369 176.812 176.600 -0.262 0.000 1.042 122 K CA -0.099 55.978 56.287 -0.350 0.000 0.958 122 K CB 1.228 33.716 32.500 -0.020 0.000 0.984 122 K HN 0.835 nan 8.250 nan 0.000 0.473 123 Q N 3.401 123.009 119.800 -0.321 0.000 2.225 123 Q HA 0.137 4.477 4.340 -0.000 0.000 0.357 123 Q C 0.083 175.849 176.000 -0.389 0.000 1.007 123 Q CA -0.110 55.307 55.803 -0.643 0.000 0.776 123 Q CB 0.012 28.166 28.738 -0.973 0.000 2.677 123 Q HN 0.715 nan 8.270 nan 0.000 0.438 124 W N 0.045 121.328 121.300 -0.029 0.000 1.705 124 W HA 0.307 4.967 4.660 -0.000 0.000 0.634 124 W C 1.951 178.452 176.519 -0.031 0.000 1.570 124 W CA -0.720 56.633 57.345 0.012 0.000 1.631 124 W CB -0.183 29.230 29.460 -0.078 0.000 3.266 124 W HN 0.284 nan 8.180 nan 0.000 0.778 125 R N -0.654 119.938 120.500 0.153 0.000 2.115 125 R HA -0.103 4.237 4.340 -0.000 0.000 0.226 125 R C 1.714 177.861 176.300 -0.254 0.000 1.100 125 R CA 1.511 57.541 56.100 -0.117 0.000 0.980 125 R CB -0.288 29.811 30.300 -0.335 0.000 0.875 125 R HN 0.498 nan 8.270 nan 0.000 0.445 126 H N -1.149 117.989 119.070 0.113 0.000 2.695 126 H HA 0.160 4.716 4.556 -0.000 0.000 0.267 126 H C 0.689 176.097 175.328 0.133 0.000 0.973 126 H CA 0.496 56.629 56.048 0.142 0.000 1.223 126 H CB 0.219 30.039 29.762 0.096 0.000 1.442 126 H HN 0.129 nan 8.280 nan 0.000 0.478 127 S N 1.298 116.986 115.700 -0.020 0.000 2.593 127 S HA 0.369 4.839 4.470 -0.000 0.000 0.269 127 S C -0.294 174.163 174.600 -0.239 0.000 1.334 127 S CA -0.441 57.446 58.200 -0.521 0.000 1.015 127 S CB 0.709 63.026 63.200 -1.471 0.000 0.912 127 S HN 0.459 nan 8.310 nan 0.000 0.541 128 Y N -2.583 117.562 120.300 -0.259 0.000 2.774 128 Y HA 0.652 5.202 4.550 -0.000 0.000 0.346 128 Y C -0.752 175.100 175.900 -0.080 0.000 1.222 128 Y CA -0.877 57.051 58.100 -0.286 0.000 1.088 128 Y CB 0.470 38.665 38.460 -0.442 0.000 1.354 128 Y HN 0.915 nan 8.280 nan 0.000 0.455 129 T N -0.229 114.361 114.554 0.060 0.000 2.930 129 T HA 1.028 5.378 4.350 -0.000 0.000 0.290 129 T C -0.505 174.277 174.700 0.137 0.000 1.052 129 T CA -0.148 62.026 62.100 0.124 0.000 1.017 129 T CB 1.817 70.712 68.868 0.045 0.000 1.137 129 T HN 1.992 nan 8.240 nan 0.000 0.511 130 A N 0.766 123.651 122.820 0.109 0.000 2.511 130 A HA 0.766 5.086 4.320 -0.000 0.000 0.293 130 A C -0.707 176.709 177.584 -0.280 0.000 1.098 130 A CA -1.005 50.957 52.037 -0.126 0.000 0.643 130 A CB 0.828 19.724 19.000 -0.175 0.000 1.302 130 A HN 0.952 nan 8.150 nan 0.000 0.446 131 S N -0.816 114.504 115.700 -0.633 0.000 2.638 131 S HA 0.815 5.285 4.470 -0.000 0.000 0.298 131 S C -1.561 172.528 174.600 -0.852 0.000 1.111 131 S CA -0.144 57.624 58.200 -0.719 0.000 1.027 131 S CB 0.808 63.357 63.200 -1.084 0.000 1.064 131 S HN 0.480 nan 8.310 nan 0.000 0.525 132 Y N 0.101 120.278 120.300 -0.204 0.000 2.396 132 Y HA 0.397 4.947 4.550 -0.000 0.000 0.332 132 Y C -0.517 175.510 175.900 0.212 0.000 1.034 132 Y CA -0.903 57.229 58.100 0.053 0.000 1.057 132 Y CB 1.613 40.013 38.460 -0.100 0.000 1.220 132 Y HN 0.505 nan 8.280 nan 0.000 0.440 133 D N 3.034 123.723 120.400 0.482 0.000 2.198 133 D HA 0.554 5.194 4.640 -0.000 0.000 0.247 133 D C -0.564 175.883 176.300 0.245 0.000 1.010 133 D CA -0.267 53.933 54.000 0.333 0.000 0.880 133 D CB 2.241 43.286 40.800 0.408 0.000 1.209 133 D HN 0.402 nan 8.370 nan 0.000 0.451 134 I N 1.604 122.303 120.570 0.216 0.000 2.412 134 I HA 0.244 4.414 4.170 -0.000 0.000 0.296 134 I C -0.868 175.460 176.117 0.351 0.000 0.987 134 I CA -0.979 60.479 61.300 0.264 0.000 1.180 134 I CB 1.432 39.529 38.000 0.162 0.000 1.340 134 I HN 0.229 nan 8.210 nan 0.000 0.455 135 Y N 5.017 125.498 120.300 0.302 0.000 2.328 135 Y HA 0.274 4.824 4.550 -0.000 0.000 0.336 135 Y C -0.245 175.863 175.900 0.346 0.000 0.960 135 Y CA -0.687 57.599 58.100 0.310 0.000 1.134 135 Y CB 1.127 39.803 38.460 0.361 0.000 1.166 135 Y HN 0.468 nan 8.280 nan 0.000 0.464 136 D N 6.108 126.490 120.400 -0.030 0.000 2.336 136 D HA 0.086 4.726 4.640 -0.000 0.000 0.249 136 D C 0.675 176.823 176.300 -0.252 0.000 1.213 136 D CA 0.320 54.308 54.000 -0.020 0.000 0.870 136 D CB 1.030 41.840 40.800 0.017 0.000 1.076 136 D HN 0.862 nan 8.370 nan 0.000 0.483 137 L N 3.584 124.714 121.223 -0.156 0.000 2.291 137 L HA -0.065 4.275 4.340 -0.000 0.000 0.214 137 L C 2.143 178.915 176.870 -0.164 0.000 1.120 137 L CA 0.480 55.273 54.840 -0.079 0.000 0.799 137 L CB -0.167 41.825 42.059 -0.111 0.000 0.925 137 L HN 0.459 nan 8.230 nan 0.000 0.446 138 N N 0.210 118.772 118.700 -0.229 0.000 2.182 138 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 138 N C 1.437 176.860 175.510 -0.145 0.000 1.036 138 N CA 0.839 53.783 53.050 -0.177 0.000 0.850 138 N CB 0.143 38.521 38.487 -0.182 0.000 1.010 138 N HN 0.289 nan 8.380 nan 0.000 0.432 139 K N 0.981 121.289 120.400 -0.154 0.000 2.504 139 K HA 0.085 4.405 4.320 -0.000 0.000 0.195 139 K C -0.134 176.366 176.600 -0.166 0.000 1.036 139 K CA 0.135 56.345 56.287 -0.128 0.000 0.984 139 K CB 0.212 32.652 32.500 -0.099 0.000 0.788 139 K HN 0.035 nan 8.250 nan 0.000 0.488 140 R N 1.385 121.750 120.500 -0.227 0.000 3.251 140 R HA -0.188 4.152 4.340 -0.000 0.000 0.249 140 R C -0.635 175.435 176.300 -0.382 0.000 0.949 140 R CA 1.089 57.037 56.100 -0.253 0.000 0.645 140 R CB -2.452 27.805 30.300 -0.071 0.000 1.065 140 R HN 0.738 nan 8.270 nan 0.000 0.452 141 Q N -1.627 117.770 119.800 -0.672 0.000 2.522 141 Q HA 0.528 4.868 4.340 -0.000 0.000 0.285 141 Q C -0.920 174.830 176.000 -0.418 0.000 0.982 141 Q CA -1.133 54.406 55.803 -0.440 0.000 0.805 141 Q CB 1.205 29.850 28.738 -0.155 0.000 1.457 141 Q HN 0.122 nan 8.270 nan 0.000 0.394 142 L N 2.803 123.996 121.223 -0.050 0.000 2.418 142 L HA 0.261 4.601 4.340 -0.000 0.000 0.274 142 L C 0.369 177.283 176.870 0.074 0.000 1.135 142 L CA -0.703 54.220 54.840 0.138 0.000 0.870 142 L CB 0.255 42.489 42.059 0.290 0.000 1.154 142 L HN 0.683 nan 8.230 nan 0.000 0.462 143 I N 1.514 122.134 120.570 0.083 0.000 2.648 143 I HA 0.115 4.285 4.170 -0.000 0.000 0.284 143 I C 0.989 177.132 176.117 0.043 0.000 1.153 143 I CA 0.560 61.889 61.300 0.048 0.000 1.426 143 I CB 1.047 39.068 38.000 0.035 0.000 1.381 143 I HN 0.686 nan 8.210 nan 0.000 0.571 144 T N 1.949 116.513 114.554 0.017 0.000 3.288 144 T HA 0.455 4.805 4.350 -0.000 0.000 0.293 144 T C -0.168 174.524 174.700 -0.013 0.000 1.008 144 T CA 0.016 62.121 62.100 0.010 0.000 0.929 144 T CB -0.829 68.045 68.868 0.010 0.000 1.152 144 T HN 0.905 nan 8.240 nan 0.000 0.517 145 E N -0.439 119.745 120.200 -0.026 0.000 2.407 145 E HA 0.506 4.856 4.350 -0.000 0.000 0.279 145 E C -1.122 175.440 176.600 -0.063 0.000 1.012 145 E CA -1.081 55.292 56.400 -0.044 0.000 0.800 145 E CB 0.626 30.303 29.700 -0.038 0.000 1.276 145 E HN -0.165 nan 8.360 nan 0.000 0.452 146 E N 0.241 120.392 120.200 -0.083 0.000 2.513 146 E HA -0.181 4.169 4.350 -0.000 0.000 0.257 146 E C -0.647 175.875 176.600 -0.129 0.000 1.098 146 E CA 0.742 57.080 56.400 -0.103 0.000 0.752 146 E CB -1.371 28.279 29.700 -0.083 0.000 1.324 146 E HN 0.554 nan 8.360 nan 0.000 0.403 147 R N -0.402 120.013 120.500 -0.142 0.000 2.774 147 R HA 0.341 4.681 4.340 -0.000 0.000 0.269 147 R C 1.073 177.197 176.300 -0.292 0.000 1.068 147 R CA -0.428 55.574 56.100 -0.163 0.000 1.180 147 R CB 0.422 30.654 30.300 -0.113 0.000 1.077 147 R HN 0.070 nan 8.270 nan 0.000 0.513 148 I N 4.049 124.417 120.570 -0.337 0.000 2.533 148 I HA 0.058 4.228 4.170 -0.000 0.000 0.284 148 I C -1.609 174.207 176.117 -0.502 0.000 1.109 148 I CA -1.619 59.324 61.300 -0.596 0.000 1.412 148 I CB 0.572 38.243 38.000 -0.547 0.000 1.396 148 I HN 0.311 nan 8.210 nan 0.000 0.543 149 P HA 0.046 nan 4.420 nan 0.000 0.270 149 P C -0.836 176.246 177.300 -0.364 0.000 1.223 149 P CA -0.278 62.415 63.100 -0.678 0.000 0.785 149 P CB 0.387 31.229 31.700 -1.431 0.000 0.923 150 N N 1.665 120.237 118.700 -0.214 0.000 2.444 150 N HA 0.029 4.769 4.740 -0.000 0.000 0.255 150 N C 0.612 176.191 175.510 0.114 0.000 1.255 150 N CA 0.207 53.211 53.050 -0.077 0.000 0.933 150 N CB -0.587 37.858 38.487 -0.070 0.000 1.143 150 N HN 0.380 nan 8.380 nan 0.000 0.453 151 N N -1.559 117.194 118.700 0.089 0.000 2.741 151 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 151 N C -0.906 174.787 175.510 0.305 0.000 1.115 151 N CA 0.722 53.869 53.050 0.161 0.000 0.724 151 N CB -1.861 36.724 38.487 0.164 0.000 1.090 151 N HN 0.488 nan 8.380 nan 0.000 0.558 152 T N 0.846 115.577 114.554 0.294 0.000 2.930 152 T HA 0.112 4.462 4.350 -0.000 0.000 0.306 152 T C 1.706 176.574 174.700 0.280 0.000 1.045 152 T CA 0.146 62.438 62.100 0.320 0.000 1.134 152 T CB 1.121 70.065 68.868 0.127 0.000 0.961 152 T HN 0.183 nan 8.240 nan 0.000 0.545 153 Q N 1.209 121.160 119.800 0.251 0.000 2.396 153 Q HA 0.201 4.540 4.340 -0.000 0.000 0.209 153 Q C -0.006 176.149 176.000 0.258 0.000 0.906 153 Q CA 0.092 56.043 55.803 0.248 0.000 0.927 153 Q CB 1.037 29.888 28.738 0.188 0.000 1.069 153 Q HN 0.708 nan 8.270 nan 0.000 0.523 154 W N 0.146 121.410 121.300 -0.060 0.000 3.700 154 W HA 0.404 5.064 4.660 -0.000 0.000 0.279 154 W C -2.338 174.100 176.519 -0.134 0.000 1.270 154 W CA -0.654 56.611 57.345 -0.133 0.000 1.216 154 W CB 1.117 30.429 29.460 -0.246 0.000 1.292 154 W HN -0.327 nan 8.180 nan 0.000 0.557 155 V N 2.812 122.073 119.914 -1.088 0.000 2.888 155 V HA 0.775 4.895 4.120 -0.000 0.000 0.309 155 V C -0.361 175.088 176.094 -1.075 0.000 1.114 155 V CA -0.731 61.024 62.300 -0.909 0.000 0.940 155 V CB 1.812 33.052 31.823 -0.971 0.000 1.021 155 V HN 0.498 nan 8.190 nan 0.000 0.426 156 T N -0.297 113.942 114.554 -0.526 0.000 2.923 156 T HA 0.547 4.897 4.350 -0.000 0.000 0.311 156 T C -0.952 173.691 174.700 -0.095 0.000 1.183 156 T CA -0.634 61.328 62.100 -0.231 0.000 1.020 156 T CB 1.290 70.272 68.868 0.191 0.000 1.165 156 T HN 0.572 nan 8.240 nan 0.000 0.482 157 W N 2.070 123.368 121.300 -0.004 0.000 2.093 157 W HA 0.430 5.090 4.660 -0.000 0.000 0.352 157 W C 1.228 177.537 176.519 -0.351 0.000 1.294 157 W CA -0.508 56.779 57.345 -0.096 0.000 1.290 157 W CB 0.442 29.863 29.460 -0.064 0.000 1.149 157 W HN 0.823 nan 8.180 nan 0.000 0.606 158 S N 1.019 116.397 115.700 -0.537 0.000 2.608 158 S HA 0.165 4.634 4.470 -0.000 0.000 0.261 158 S C -1.853 172.499 174.600 -0.414 0.000 1.314 158 S CA -0.977 56.477 58.200 -1.243 0.000 0.992 158 S CB 0.538 62.862 63.200 -1.460 0.000 0.935 158 S HN 0.263 nan 8.310 nan 0.000 0.564 159 P HA 0.038 nan 4.420 nan 0.000 0.218 159 P C 0.219 177.470 177.300 -0.082 0.000 1.149 159 P CA 0.799 63.855 63.100 -0.074 0.000 0.817 159 P CB -0.156 31.534 31.700 -0.017 0.000 0.785 160 V N -5.433 114.394 119.914 -0.144 0.000 2.709 160 V HA 0.896 5.016 4.120 -0.000 0.000 0.308 160 V C 0.117 176.103 176.094 -0.180 0.000 1.062 160 V CA -0.177 62.049 62.300 -0.124 0.000 0.901 160 V CB 1.067 32.837 31.823 -0.088 0.000 1.003 160 V HN 0.468 nan 8.190 nan 0.000 0.425 161 G N 3.884 112.581 108.800 -0.171 0.000 2.466 161 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.218 161 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.218 161 G C 0.088 174.888 174.900 -0.166 0.000 1.237 161 G CA 0.373 45.321 45.100 -0.253 0.000 0.954 161 G HN 2.356 nan 8.290 nan 0.000 0.580 162 H N -0.510 118.590 119.070 0.050 0.000 2.985 162 H HA 0.410 4.966 4.556 -0.000 0.000 0.246 162 H C 0.438 175.952 175.328 0.311 0.000 1.181 162 H CA -0.205 55.964 56.048 0.201 0.000 0.972 162 H CB 0.165 30.100 29.762 0.288 0.000 2.016 162 H HN 0.455 nan 8.280 nan 0.000 0.672 163 K N 1.726 122.254 120.400 0.213 0.000 2.276 163 K HA 0.367 4.687 4.320 -0.000 0.000 0.259 163 K C -0.518 176.193 176.600 0.185 0.000 1.001 163 K CA -0.084 56.294 56.287 0.152 0.000 0.927 163 K CB 1.327 33.765 32.500 -0.103 0.000 0.969 163 K HN 0.131 nan 8.250 nan 0.000 0.490 164 L N 0.975 122.302 121.223 0.173 0.000 2.388 164 L HA 0.559 4.899 4.340 -0.000 0.000 0.264 164 L C -0.870 176.196 176.870 0.326 0.000 0.998 164 L CA -0.787 54.099 54.840 0.077 0.000 0.817 164 L CB 2.172 44.125 42.059 -0.177 0.000 1.338 164 L HN 0.675 nan 8.230 nan 0.000 0.414 165 A N 2.004 125.028 122.820 0.341 0.000 2.355 165 A HA 0.846 5.166 4.320 -0.000 0.000 0.317 165 A C -1.510 176.122 177.584 0.079 0.000 1.094 165 A CA -0.384 51.758 52.037 0.175 0.000 0.764 165 A CB 1.083 20.127 19.000 0.073 0.000 1.230 165 A HN 0.660 nan 8.150 nan 0.000 0.448 166 Y N -0.642 119.635 120.300 -0.037 0.000 2.638 166 Y HA 0.805 5.355 4.550 -0.000 0.000 0.339 166 Y C -1.165 174.764 175.900 0.047 0.000 1.084 166 Y CA -1.635 56.424 58.100 -0.068 0.000 1.068 166 Y CB 1.223 39.575 38.460 -0.181 0.000 1.294 166 Y HN 0.406 nan 8.280 nan 0.000 0.480 167 V N 1.559 121.646 119.914 0.289 0.000 2.531 167 V HA 0.368 4.488 4.120 -0.000 0.000 0.301 167 V C -1.617 174.702 176.094 0.376 0.000 1.034 167 V CA -0.660 61.776 62.300 0.227 0.000 0.865 167 V CB 1.420 33.287 31.823 0.074 0.000 0.995 167 V HN 0.872 nan 8.190 nan 0.000 0.424 168 W N 4.698 126.097 121.300 0.165 0.000 3.097 168 W HA 0.466 5.126 4.660 -0.000 0.000 0.335 168 W C 0.370 176.937 176.519 0.079 0.000 1.114 168 W CA -0.733 56.673 57.345 0.102 0.000 1.231 168 W CB 1.349 30.839 29.460 0.051 0.000 1.388 168 W HN 0.786 nan 8.180 nan 0.000 0.485 169 N N 5.063 123.388 118.700 -0.626 0.000 2.710 169 N HA -0.351 4.389 4.740 -0.000 0.000 0.249 169 N C 0.010 175.368 175.510 -0.253 0.000 1.059 169 N CA 1.042 53.762 53.050 -0.549 0.000 0.720 169 N CB -0.803 37.187 38.487 -0.829 0.000 0.983 169 N HN 0.708 nan 8.380 nan 0.000 0.544 170 N N -1.612 117.002 118.700 -0.143 0.000 2.863 170 N HA -0.152 4.588 4.740 -0.000 0.000 0.245 170 N C -1.325 174.124 175.510 -0.102 0.000 1.001 170 N CA 1.586 54.569 53.050 -0.110 0.000 0.901 170 N CB -0.573 37.799 38.487 -0.192 0.000 1.124 170 N HN 0.523 nan 8.380 nan 0.000 0.582 171 D N -0.018 120.342 120.400 -0.068 0.000 2.252 171 D HA 0.488 5.128 4.640 -0.000 0.000 0.245 171 D C 0.423 176.634 176.300 -0.148 0.000 1.009 171 D CA -0.400 53.508 54.000 -0.153 0.000 0.870 171 D CB 1.310 41.991 40.800 -0.198 0.000 1.251 171 D HN 0.018 nan 8.370 nan 0.000 0.460 172 I N 2.034 122.354 120.570 -0.418 0.000 2.385 172 I HA 0.240 4.409 4.170 -0.000 0.000 0.294 172 I C -0.687 175.041 176.117 -0.649 0.000 0.988 172 I CA -0.460 60.586 61.300 -0.423 0.000 1.265 172 I CB 0.638 38.310 38.000 -0.546 0.000 1.388 172 I HN 0.188 nan 8.210 nan 0.000 0.480 173 Y N 4.105 124.049 120.300 -0.592 0.000 2.576 173 Y HA 0.692 5.242 4.550 -0.000 0.000 0.346 173 Y C -0.391 175.172 175.900 -0.562 0.000 1.018 173 Y CA -0.989 56.718 58.100 -0.656 0.000 1.050 173 Y CB 2.010 39.842 38.460 -1.047 0.000 1.280 173 Y HN 0.083 nan 8.280 nan 0.000 0.474 174 V N 1.969 121.824 119.914 -0.097 0.000 2.686 174 V HA 0.429 4.549 4.120 -0.000 0.000 0.306 174 V C -0.974 175.254 176.094 0.223 0.000 1.065 174 V CA -1.470 60.870 62.300 0.066 0.000 0.894 174 V CB 2.078 33.960 31.823 0.098 0.000 1.004 174 V HN 0.612 nan 8.190 nan 0.000 0.424 175 K N 4.046 124.583 120.400 0.227 0.000 2.274 175 K HA 0.530 4.850 4.320 -0.000 0.000 0.262 175 K C 0.351 177.095 176.600 0.241 0.000 0.961 175 K CA -0.781 55.639 56.287 0.221 0.000 0.833 175 K CB 1.946 34.526 32.500 0.133 0.000 1.102 175 K HN 0.433 nan 8.250 nan 0.000 0.436 176 I N 1.364 122.101 120.570 0.279 0.000 2.406 176 I HA -0.057 4.113 4.170 -0.000 0.000 0.249 176 I C 0.486 176.749 176.117 0.242 0.000 1.122 176 I CA 1.465 62.913 61.300 0.246 0.000 1.431 176 I CB -0.347 37.800 38.000 0.245 0.000 1.087 176 I HN 0.601 nan 8.210 nan 0.000 0.424 177 E N -0.108 120.182 120.200 0.150 0.000 2.367 177 E HA 0.271 4.621 4.350 -0.000 0.000 0.273 177 E C -2.045 174.497 176.600 -0.097 0.000 0.903 177 E CA -1.752 54.655 56.400 0.011 0.000 0.764 177 E CB 1.910 31.602 29.700 -0.013 0.000 1.252 177 E HN -0.194 nan 8.360 nan 0.000 0.446 178 P HA -0.138 nan 4.420 nan 0.000 0.222 178 P C 0.647 177.837 177.300 -0.184 0.000 1.147 178 P CA 1.410 64.320 63.100 -0.317 0.000 0.790 178 P CB 0.168 31.447 31.700 -0.701 0.000 0.780 179 N N -2.270 116.347 118.700 -0.138 0.000 2.325 179 N HA 0.016 4.756 4.740 -0.000 0.000 0.182 179 N C 0.276 175.754 175.510 -0.053 0.000 1.088 179 N CA 0.145 53.152 53.050 -0.072 0.000 0.879 179 N CB -0.455 38.009 38.487 -0.039 0.000 0.983 179 N HN -0.088 nan 8.380 nan 0.000 0.471 180 L N 1.384 122.580 121.223 -0.044 0.000 2.417 180 L HA 0.417 4.757 4.340 -0.000 0.000 0.268 180 L C -2.079 174.753 176.870 -0.063 0.000 1.158 180 L CA -2.089 52.730 54.840 -0.035 0.000 0.819 180 L CB 0.045 42.111 42.059 0.011 0.000 1.112 180 L HN 0.006 nan 8.230 nan 0.000 0.458 181 P HA 0.062 nan 4.420 nan 0.000 0.269 181 P C -0.609 176.571 177.300 -0.200 0.000 1.209 181 P CA -0.192 62.821 63.100 -0.145 0.000 0.776 181 P CB 0.437 32.033 31.700 -0.173 0.000 0.876 182 S N 1.373 117.006 115.700 -0.113 0.000 2.586 182 S HA 0.425 4.895 4.470 -0.000 0.000 0.274 182 S C -0.609 173.915 174.600 -0.126 0.000 1.281 182 S CA -0.492 57.688 58.200 -0.032 0.000 1.035 182 S CB 0.056 63.326 63.200 0.117 0.000 0.962 182 S HN 0.228 nan 8.310 nan 0.000 0.512 183 Y N 0.522 120.844 120.300 0.038 0.000 2.320 183 Y HA 0.476 5.026 4.550 -0.000 0.000 0.324 183 Y C 0.904 176.747 175.900 -0.095 0.000 1.190 183 Y CA -0.926 57.177 58.100 0.006 0.000 1.215 183 Y CB 0.799 39.265 38.460 0.010 0.000 1.221 183 Y HN 0.646 nan 8.280 nan 0.000 0.486 184 R N 3.130 123.591 120.500 -0.065 0.000 2.207 184 R HA 0.307 4.647 4.340 -0.000 0.000 0.334 184 R C 0.010 176.068 176.300 -0.405 0.000 1.013 184 R CA -0.289 55.474 56.100 -0.561 0.000 0.858 184 R CB 0.302 30.063 30.300 -0.898 0.000 1.094 184 R HN 0.743 nan 8.270 nan 0.000 0.457 185 I N 2.236 122.512 120.570 -0.491 0.000 2.400 185 I HA -0.056 4.114 4.170 -0.000 0.000 0.248 185 I C 1.252 177.216 176.117 -0.255 0.000 1.109 185 I CA 1.146 62.273 61.300 -0.287 0.000 1.425 185 I CB -0.832 36.976 38.000 -0.320 0.000 1.094 185 I HN 0.660 nan 8.210 nan 0.000 0.425 186 T N -4.020 110.257 114.554 -0.461 0.000 2.907 186 T HA 0.374 4.724 4.350 -0.000 0.000 0.292 186 T C -0.477 173.999 174.700 -0.374 0.000 1.043 186 T CA -0.562 61.369 62.100 -0.281 0.000 1.003 186 T CB 1.963 70.623 68.868 -0.348 0.000 1.084 186 T HN 0.161 nan 8.240 nan 0.000 0.483 187 W N 0.079 121.266 121.300 -0.188 0.000 2.725 187 W HA 0.210 4.870 4.660 -0.000 0.000 0.336 187 W C 2.220 178.682 176.519 -0.095 0.000 1.012 187 W CA 0.161 57.430 57.345 -0.127 0.000 1.566 187 W CB -0.015 29.392 29.460 -0.089 0.000 1.068 187 W HN 0.913 nan 8.180 nan 0.000 0.546 188 T N -2.265 112.340 114.554 0.084 0.000 3.088 188 T HA 0.198 4.548 4.350 -0.000 0.000 0.259 188 T C 1.384 176.081 174.700 -0.005 0.000 1.122 188 T CA 0.418 62.544 62.100 0.043 0.000 1.095 188 T CB -0.487 68.402 68.868 0.035 0.000 0.930 188 T HN 0.015 nan 8.240 nan 0.000 0.508 189 G N 1.184 109.952 108.800 -0.053 0.000 2.287 189 G HA2 0.310 4.270 3.960 -0.000 0.000 0.235 189 G HA3 0.310 4.270 3.960 -0.000 0.000 0.235 189 G C -0.575 174.264 174.900 -0.102 0.000 1.258 189 G CA -0.323 44.721 45.100 -0.093 0.000 0.884 189 G HN 0.577 nan 8.290 nan 0.000 0.518 190 K N 1.453 121.767 120.400 -0.144 0.000 2.571 190 K HA 0.169 4.489 4.320 -0.000 0.000 0.252 190 K C -0.265 176.208 176.600 -0.211 0.000 0.956 190 K CA -0.675 55.529 56.287 -0.138 0.000 0.822 190 K CB 1.740 34.196 32.500 -0.074 0.000 1.286 190 K HN 0.650 nan 8.250 nan 0.000 0.439 191 E N 2.789 122.877 120.200 -0.187 0.000 2.608 191 E HA -0.143 4.207 4.350 -0.000 0.000 0.259 191 E C -0.583 175.920 176.600 -0.162 0.000 0.951 191 E CA 0.983 57.267 56.400 -0.193 0.000 0.945 191 E CB 0.272 29.897 29.700 -0.125 0.000 0.916 191 E HN 0.621 nan 8.360 nan 0.000 0.477 192 D N 2.137 122.417 120.400 -0.199 0.000 3.046 192 D HA -0.236 4.404 4.640 -0.000 0.000 0.210 192 D C 0.394 176.747 176.300 0.088 0.000 1.124 192 D CA 1.671 55.691 54.000 0.034 0.000 0.986 192 D CB -0.976 39.874 40.800 0.083 0.000 1.118 192 D HN 0.528 nan 8.370 nan 0.000 0.416 193 I N -1.360 119.164 120.570 -0.077 0.000 3.669 193 I HA 0.088 4.258 4.170 -0.000 0.000 0.255 193 I C 0.317 176.514 176.117 0.134 0.000 1.144 193 I CA -0.130 61.219 61.300 0.081 0.000 1.447 193 I CB 0.612 38.633 38.000 0.035 0.000 1.622 193 I HN -0.182 nan 8.210 nan 0.000 0.435 194 I N 1.884 122.434 120.570 -0.033 0.000 2.382 194 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 194 I C -1.396 174.697 176.117 -0.039 0.000 1.002 194 I CA -0.539 60.811 61.300 0.082 0.000 1.135 194 I CB 0.689 38.721 38.000 0.054 0.000 1.288 194 I HN 0.050 nan 8.210 nan 0.000 0.448 195 Y N 4.748 125.149 120.300 0.170 0.000 2.342 195 Y HA 0.392 4.942 4.550 -0.000 0.000 0.338 195 Y C 0.507 176.487 175.900 0.132 0.000 0.965 195 Y CA -0.919 57.282 58.100 0.169 0.000 1.159 195 Y CB 0.787 39.414 38.460 0.278 0.000 1.157 195 Y HN 0.400 nan 8.280 nan 0.000 0.486 196 N N 2.498 121.264 118.700 0.109 0.000 2.469 196 N HA 0.348 5.088 4.740 -0.000 0.000 0.253 196 N C 0.857 176.296 175.510 -0.119 0.000 0.970 196 N CA 0.412 53.437 53.050 -0.043 0.000 0.940 196 N CB 1.713 40.060 38.487 -0.233 0.000 1.128 196 N HN 1.002 nan 8.380 nan 0.000 0.503 197 G N 1.584 110.351 108.800 -0.055 0.000 2.176 197 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.253 197 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.253 197 G C 0.105 174.900 174.900 -0.175 0.000 0.979 197 G CA 0.524 45.543 45.100 -0.136 0.000 0.641 197 G HN 0.652 nan 8.290 nan 0.000 0.530 198 I N -1.751 118.786 120.570 -0.056 0.000 2.934 198 I HA 0.855 5.025 4.170 -0.000 0.000 0.306 198 I C 0.296 176.478 176.117 0.108 0.000 1.110 198 I CA -0.630 60.544 61.300 -0.210 0.000 1.019 198 I CB 2.043 39.710 38.000 -0.554 0.000 1.227 198 I HN 0.204 nan 8.210 nan 0.000 0.434 199 T N -0.456 114.073 114.554 -0.041 0.000 2.918 199 T HA 0.374 4.724 4.350 -0.000 0.000 0.283 199 T C -0.096 174.366 174.700 -0.396 0.000 1.001 199 T CA -0.599 61.278 62.100 -0.372 0.000 1.041 199 T CB 1.334 70.103 68.868 -0.165 0.000 1.028 199 T HN 0.784 nan 8.240 nan 0.000 0.511 200 D N 0.615 120.502 120.400 -0.856 0.000 2.425 200 D HA 0.032 4.672 4.640 -0.000 0.000 0.274 200 D C 1.036 177.246 176.300 -0.151 0.000 1.242 200 D CA -0.932 52.646 54.000 -0.705 0.000 1.060 200 D CB -0.112 40.227 40.800 -0.768 0.000 1.112 200 D HN 0.700 nan 8.370 nan 0.000 0.561 201 W N -0.208 121.017 121.300 -0.125 0.000 2.353 201 W HA -0.195 4.465 4.660 -0.000 0.000 0.319 201 W C 2.261 178.662 176.519 -0.196 0.000 1.207 201 W CA 2.952 60.226 57.345 -0.119 0.000 1.291 201 W CB -0.478 28.872 29.460 -0.184 0.000 1.159 201 W HN 0.206 nan 8.180 nan 0.000 0.478 202 V N -1.726 118.246 119.914 0.097 0.000 2.358 202 V HA -0.322 3.797 4.120 -0.000 0.000 0.246 202 V C 1.853 177.767 176.094 -0.300 0.000 1.047 202 V CA 1.789 64.021 62.300 -0.113 0.000 1.035 202 V CB -1.842 29.884 31.823 -0.162 0.000 0.658 202 V HN 0.257 nan 8.190 nan 0.000 0.452 203 Y N 1.334 121.431 120.300 -0.340 0.000 2.165 203 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 203 Y C 2.881 178.607 175.900 -0.290 0.000 1.155 203 Y CA 2.381 60.243 58.100 -0.396 0.000 1.164 203 Y CB -0.244 37.856 38.460 -0.599 0.000 0.978 203 Y HN 0.377 nan 8.280 nan 0.000 0.513 204 E N 0.163 120.297 120.200 -0.111 0.000 2.038 204 E HA -0.315 4.035 4.350 -0.000 0.000 0.195 204 E C 2.077 178.613 176.600 -0.107 0.000 1.000 204 E CA 1.678 58.044 56.400 -0.058 0.000 0.803 204 E CB -0.073 29.587 29.700 -0.068 0.000 0.750 204 E HN 0.439 nan 8.360 nan 0.000 0.448 205 E N 0.117 120.080 120.200 -0.395 0.000 2.051 205 E HA -0.136 4.214 4.350 -0.000 0.000 0.189 205 E C 1.530 178.012 176.600 -0.197 0.000 0.979 205 E CA 1.455 57.610 56.400 -0.408 0.000 0.803 205 E CB 0.192 29.304 29.700 -0.980 0.000 0.761 205 E HN 0.219 nan 8.360 nan 0.000 0.451 206 E N -0.861 119.194 120.200 -0.243 0.000 2.511 206 E HA 0.125 4.475 4.350 -0.000 0.000 0.209 206 E C 1.400 177.848 176.600 -0.254 0.000 0.986 206 E CA 0.259 56.555 56.400 -0.173 0.000 0.974 206 E CB 1.350 30.943 29.700 -0.178 0.000 1.030 206 E HN 0.192 nan 8.360 nan 0.000 0.490 207 V N -0.560 119.150 119.914 -0.340 0.000 2.950 207 V HA 0.069 4.189 4.120 -0.000 0.000 0.231 207 V C 1.235 177.172 176.094 -0.262 0.000 1.205 207 V CA 0.535 62.559 62.300 -0.459 0.000 1.239 207 V CB -0.135 31.159 31.823 -0.882 0.000 1.050 207 V HN 0.014 nan 8.190 nan 0.000 0.498 208 F N 1.054 121.020 119.950 0.027 0.000 2.749 208 F HA 0.303 4.830 4.527 -0.000 0.000 0.300 208 F C 1.548 177.303 175.800 -0.076 0.000 1.103 208 F CA -0.167 57.861 58.000 0.047 0.000 1.342 208 F CB -0.636 38.438 39.000 0.123 0.000 1.098 208 F HN 0.127 nan 8.300 nan 0.000 0.586 209 S N 0.402 116.115 115.700 0.022 0.000 3.521 209 S HA -0.001 4.469 4.470 -0.000 0.000 0.362 209 S C 0.221 174.351 174.600 -0.784 0.000 1.044 209 S CA 0.491 58.566 58.200 -0.207 0.000 1.091 209 S CB -1.984 61.180 63.200 -0.059 0.000 0.908 209 S HN 0.699 nan 8.310 nan 0.000 0.473 210 A N -0.743 121.830 122.820 -0.410 0.000 2.597 210 A HA 0.658 4.978 4.320 -0.000 0.000 0.292 210 A C -0.153 177.386 177.584 -0.076 0.000 1.057 210 A CA -0.488 51.336 52.037 -0.356 0.000 0.674 210 A CB 0.102 18.927 19.000 -0.293 0.000 1.278 210 A HN 0.275 nan 8.150 nan 0.000 0.416 211 Y N 1.539 121.681 120.300 -0.264 0.000 2.263 211 Y HA 0.099 4.649 4.550 -0.000 0.000 0.292 211 Y C 1.733 177.337 175.900 -0.493 0.000 1.130 211 Y CA 1.443 59.378 58.100 -0.275 0.000 1.179 211 Y CB -0.150 38.169 38.460 -0.236 0.000 0.998 211 Y HN 0.768 nan 8.280 nan 0.000 0.532 212 S N 0.363 115.502 115.700 -0.935 0.000 2.560 212 S HA 0.383 4.853 4.470 -0.000 0.000 0.284 212 S C 0.311 174.414 174.600 -0.828 0.000 1.327 212 S CA 0.125 57.544 58.200 -1.302 0.000 1.055 212 S CB 0.534 62.666 63.200 -1.779 0.000 0.868 212 S HN 0.439 nan 8.310 nan 0.000 0.506 213 A N 4.775 127.126 122.820 -0.781 0.000 2.806 213 A HA 0.512 4.832 4.320 -0.000 0.000 0.266 213 A C -0.990 175.942 177.584 -1.086 0.000 0.926 213 A CA -0.431 51.067 52.037 -0.899 0.000 1.068 213 A CB 0.014 18.972 19.000 -0.071 0.000 1.189 213 A HN 0.576 nan 8.150 nan 0.000 0.481 214 L N 0.801 121.353 121.223 -1.119 0.000 2.313 214 L HA 0.597 4.937 4.340 -0.000 0.000 0.283 214 L C -1.006 175.454 176.870 -0.683 0.000 1.013 214 L CA -0.715 53.760 54.840 -0.609 0.000 0.816 214 L CB 0.766 42.691 42.059 -0.224 0.000 1.236 214 L HN 0.432 nan 8.230 nan 0.000 0.419 215 W N 3.713 125.064 121.300 0.085 0.000 2.543 215 W HA 0.218 4.878 4.660 -0.000 0.000 0.318 215 W C -0.948 175.790 176.519 0.364 0.000 1.002 215 W CA -1.077 56.430 57.345 0.270 0.000 1.302 215 W CB 1.135 30.789 29.460 0.323 0.000 1.299 215 W HN 0.513 nan 8.180 nan 0.000 0.424 216 W N 2.454 123.970 121.300 0.360 0.000 2.218 216 W HA 0.223 4.883 4.660 -0.000 0.000 0.326 216 W C 1.332 177.652 176.519 -0.331 0.000 1.276 216 W CA 0.291 57.704 57.345 0.112 0.000 1.210 216 W CB 0.860 30.356 29.460 0.059 0.000 1.143 216 W HN 0.208 nan 8.180 nan 0.000 0.563 217 S N 2.936 118.290 115.700 -0.577 0.000 2.576 217 S HA 0.104 4.574 4.470 -0.000 0.000 0.272 217 S C -1.676 172.662 174.600 -0.437 0.000 1.352 217 S CA -0.899 56.450 58.200 -1.420 0.000 1.021 217 S CB 1.010 63.428 63.200 -1.304 0.000 0.887 217 S HN 0.321 nan 8.310 nan 0.000 0.542 218 P HA -0.039 nan 4.420 nan 0.000 0.220 218 P C 1.169 178.431 177.300 -0.062 0.000 1.148 218 P CA 0.797 63.855 63.100 -0.069 0.000 0.803 218 P CB -0.054 31.654 31.700 0.012 0.000 0.782 219 N N -0.694 117.955 118.700 -0.086 0.000 2.188 219 N HA -0.087 4.653 4.740 -0.000 0.000 0.184 219 N C 1.520 176.971 175.510 -0.098 0.000 1.018 219 N CA 1.837 54.843 53.050 -0.074 0.000 0.858 219 N CB -0.539 37.905 38.487 -0.073 0.000 0.989 219 N HN 0.178 nan 8.380 nan 0.000 0.426 220 G N -1.547 107.206 108.800 -0.079 0.000 2.157 220 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.239 220 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.239 220 G C 1.025 175.973 174.900 0.081 0.000 0.982 220 G CA 0.907 45.965 45.100 -0.069 0.000 0.650 220 G HN 0.386 nan 8.290 nan 0.000 0.527 221 T N 0.020 114.552 114.554 -0.036 0.000 2.770 221 T HA 0.285 4.635 4.350 -0.000 0.000 0.263 221 T C 0.813 175.343 174.700 -0.282 0.000 1.039 221 T CA 1.156 63.124 62.100 -0.220 0.000 1.142 221 T CB -0.022 68.592 68.868 -0.422 0.000 0.868 221 T HN 0.276 nan 8.240 nan 0.000 0.435 222 F N 0.219 120.202 119.950 0.055 0.000 2.470 222 F HA 0.587 5.114 4.527 -0.000 0.000 0.329 222 F C -0.119 175.725 175.800 0.073 0.000 1.072 222 F CA -1.366 56.694 58.000 0.100 0.000 0.989 222 F CB 1.182 40.305 39.000 0.204 0.000 1.193 222 F HN -0.091 nan 8.300 nan 0.000 0.481 223 L N 2.609 123.949 121.223 0.196 0.000 2.316 223 L HA 0.674 5.014 4.340 -0.000 0.000 0.280 223 L C -0.614 176.323 176.870 0.111 0.000 1.006 223 L CA -0.642 54.140 54.840 -0.097 0.000 0.836 223 L CB 0.965 42.763 42.059 -0.436 0.000 1.221 223 L HN 0.799 nan 8.230 nan 0.000 0.418 224 A N 4.787 127.757 122.820 0.250 0.000 2.327 224 A HA 0.653 4.973 4.320 -0.000 0.000 0.283 224 A C -1.230 176.431 177.584 0.128 0.000 1.127 224 A CA -0.184 51.878 52.037 0.042 0.000 0.810 224 A CB 0.609 19.759 19.000 0.250 0.000 1.066 224 A HN 0.693 nan 8.150 nan 0.000 0.492 225 Y N -1.479 118.677 120.300 -0.240 0.000 2.609 225 Y HA 0.741 5.291 4.550 -0.000 0.000 0.336 225 Y C -0.306 175.545 175.900 -0.083 0.000 1.129 225 Y CA -1.033 57.051 58.100 -0.028 0.000 1.040 225 Y CB 0.810 39.197 38.460 -0.122 0.000 1.310 225 Y HN 0.896 nan 8.280 nan 0.000 0.460 226 A N 2.369 125.419 122.820 0.383 0.000 2.306 226 A HA 0.658 4.978 4.320 -0.000 0.000 0.330 226 A C -0.986 176.596 177.584 -0.003 0.000 1.146 226 A CA -0.798 51.299 52.037 0.101 0.000 0.827 226 A CB 1.507 20.491 19.000 -0.027 0.000 1.178 226 A HN 0.826 nan 8.150 nan 0.000 0.490 227 Q N 1.020 120.733 119.800 -0.146 0.000 2.340 227 Q HA 0.617 4.957 4.340 -0.000 0.000 0.268 227 Q C -2.054 173.750 176.000 -0.326 0.000 1.031 227 Q CA -0.375 55.397 55.803 -0.052 0.000 0.804 227 Q CB 1.098 30.001 28.738 0.275 0.000 1.286 227 Q HN 0.596 nan 8.270 nan 0.000 0.448 228 F N 2.250 122.312 119.950 0.187 0.000 2.480 228 F HA 0.431 4.958 4.527 -0.000 0.000 0.329 228 F C 0.331 176.278 175.800 0.244 0.000 1.091 228 F CA -0.945 57.132 58.000 0.128 0.000 0.972 228 F CB 1.518 40.495 39.000 -0.038 0.000 1.150 228 F HN 0.446 nan 8.300 nan 0.000 0.467 229 N N 1.749 120.668 118.700 0.365 0.000 2.524 229 N HA 0.230 4.970 4.740 -0.000 0.000 0.261 229 N C -1.158 174.518 175.510 0.277 0.000 0.998 229 N CA -0.428 52.799 53.050 0.294 0.000 0.915 229 N CB 0.903 39.510 38.487 0.200 0.000 1.187 229 N HN 0.533 nan 8.380 nan 0.000 0.507 230 D N 1.615 122.204 120.400 0.314 0.000 2.587 230 D HA 0.152 4.792 4.640 -0.000 0.000 0.233 230 D C 1.218 177.636 176.300 0.196 0.000 1.213 230 D CA 0.025 54.184 54.000 0.264 0.000 0.827 230 D CB 0.547 41.550 40.800 0.337 0.000 1.006 230 D HN 0.427 nan 8.370 nan 0.000 0.490 231 T N 0.936 115.587 114.554 0.161 0.000 2.597 231 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 231 T C 1.306 176.065 174.700 0.098 0.000 1.053 231 T CA 1.377 63.546 62.100 0.115 0.000 1.165 231 T CB -0.027 68.897 68.868 0.095 0.000 0.863 231 T HN 0.447 nan 8.240 nan 0.000 0.427 232 E N 0.612 120.869 120.200 0.094 0.000 2.499 232 E HA 0.241 4.591 4.350 -0.000 0.000 0.199 232 E C -0.383 176.267 176.600 0.082 0.000 1.016 232 E CA -0.160 56.285 56.400 0.076 0.000 0.933 232 E CB 0.223 29.960 29.700 0.061 0.000 1.050 232 E HN 0.204 nan 8.360 nan 0.000 0.462 233 V N 3.828 123.805 119.914 0.104 0.000 2.470 233 V HA 0.115 4.235 4.120 -0.000 0.000 0.276 233 V C -1.890 174.263 176.094 0.098 0.000 1.040 233 V CA -1.297 61.068 62.300 0.109 0.000 1.008 233 V CB 0.494 32.398 31.823 0.136 0.000 0.990 233 V HN 0.131 nan 8.190 nan 0.000 0.477 234 P HA 0.237 nan 4.420 nan 0.000 0.271 234 P C -0.782 176.561 177.300 0.073 0.000 1.233 234 P CA -0.194 62.946 63.100 0.068 0.000 0.789 234 P CB 0.537 32.274 31.700 0.062 0.000 0.951 235 L N 1.351 122.595 121.223 0.035 0.000 2.346 235 L HA 0.446 4.786 4.340 -0.000 0.000 0.276 235 L C 0.150 176.987 176.870 -0.054 0.000 1.006 235 L CA -0.918 53.931 54.840 0.014 0.000 0.817 235 L CB 1.409 43.471 42.059 0.005 0.000 1.272 235 L HN 0.283 nan 8.230 nan 0.000 0.421 236 I N 2.605 123.101 120.570 -0.123 0.000 2.472 236 I HA 0.263 4.432 4.170 -0.000 0.000 0.290 236 I C -0.195 175.814 176.117 -0.180 0.000 1.016 236 I CA 0.063 61.200 61.300 -0.272 0.000 1.348 236 I CB 1.349 38.953 38.000 -0.660 0.000 1.417 236 I HN 0.728 nan 8.210 nan 0.000 0.521 237 E N 7.331 127.438 120.200 -0.156 0.000 2.234 237 E HA 0.483 4.833 4.350 -0.000 0.000 0.266 237 E C -1.733 174.837 176.600 -0.050 0.000 0.877 237 E CA -0.527 55.791 56.400 -0.136 0.000 0.758 237 E CB 2.477 32.105 29.700 -0.119 0.000 1.170 237 E HN 0.489 nan 8.360 nan 0.000 0.415 238 Y N -1.730 118.476 120.300 -0.157 0.000 2.638 238 Y HA 0.565 5.115 4.550 -0.000 0.000 0.335 238 Y C -0.817 175.002 175.900 -0.135 0.000 1.155 238 Y CA -1.248 56.761 58.100 -0.152 0.000 1.046 238 Y CB 0.909 39.278 38.460 -0.153 0.000 1.303 238 Y HN 0.213 nan 8.280 nan 0.000 0.460 239 S N 1.810 117.486 115.700 -0.040 0.000 2.562 239 S HA 0.508 4.978 4.470 -0.000 0.000 0.275 239 S C -1.455 172.954 174.600 -0.319 0.000 1.281 239 S CA -0.416 57.605 58.200 -0.299 0.000 1.045 239 S CB 0.363 63.255 63.200 -0.513 0.000 0.962 239 S HN 0.532 nan 8.310 nan 0.000 0.503 240 F N 2.511 122.161 119.950 -0.499 0.000 2.493 240 F HA 0.432 4.959 4.527 -0.000 0.000 0.329 240 F C -0.436 175.141 175.800 -0.372 0.000 1.126 240 F CA -0.799 57.007 58.000 -0.324 0.000 0.937 240 F CB 0.925 39.858 39.000 -0.112 0.000 1.146 240 F HN 0.652 nan 8.300 nan 0.000 0.442 241 Y N 2.838 122.944 120.300 -0.324 0.000 2.462 241 Y HA 0.187 4.737 4.550 -0.000 0.000 0.261 241 Y C 1.599 177.435 175.900 -0.108 0.000 1.146 241 Y CA 0.739 58.744 58.100 -0.158 0.000 1.283 241 Y CB -0.543 37.817 38.460 -0.166 0.000 1.090 241 Y HN 0.762 nan 8.280 nan 0.000 0.526 242 S N -0.027 115.616 115.700 -0.095 0.000 2.962 242 S HA -0.248 4.222 4.470 -0.000 0.000 0.632 242 S C -0.128 174.520 174.600 0.081 0.000 3.058 242 S CA 0.871 59.158 58.200 0.146 0.000 3.371 242 S CB -0.941 62.431 63.200 0.288 0.000 0.324 242 S HN 0.483 nan 8.310 nan 0.000 1.722 243 D N 1.308 121.774 120.400 0.109 0.000 2.360 243 D HA 0.216 4.856 4.640 -0.000 0.000 0.242 243 D C 1.384 177.716 176.300 0.054 0.000 1.184 243 D CA 0.227 54.269 54.000 0.071 0.000 0.930 243 D CB 0.221 41.063 40.800 0.071 0.000 1.161 243 D HN 0.622 nan 8.370 nan 0.000 0.447 244 E N 0.190 120.410 120.200 0.033 0.000 2.147 244 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 244 E C 1.642 178.255 176.600 0.022 0.000 1.005 244 E CA 1.644 58.055 56.400 0.018 0.000 0.810 244 E CB 0.132 29.837 29.700 0.008 0.000 0.736 244 E HN 0.449 nan 8.360 nan 0.000 0.460 245 S N 0.300 116.019 115.700 0.031 0.000 2.419 245 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 245 S C 1.185 175.809 174.600 0.039 0.000 1.016 245 S CA 0.172 58.390 58.200 0.031 0.000 0.974 245 S CB -0.277 62.944 63.200 0.035 0.000 0.786 245 S HN 0.258 nan 8.310 nan 0.000 0.492 246 L N 2.293 123.550 121.223 0.056 0.000 2.462 246 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 246 L C 1.530 178.431 176.870 0.051 0.000 1.166 246 L CA 0.218 55.102 54.840 0.073 0.000 0.880 246 L CB 1.102 43.222 42.059 0.102 0.000 1.142 246 L HN 0.455 nan 8.230 nan 0.000 0.473 247 Q N 4.123 123.953 119.800 0.051 0.000 2.165 247 Q HA -0.018 4.322 4.340 -0.000 0.000 0.197 247 Q C -0.649 175.253 176.000 -0.163 0.000 0.952 247 Q CA 0.738 56.509 55.803 -0.053 0.000 0.848 247 Q CB 0.280 28.994 28.738 -0.039 0.000 0.931 247 Q HN 0.623 nan 8.270 nan 0.000 0.470 248 Y N 1.409 121.725 120.300 0.026 0.000 2.328 248 Y HA 0.403 4.953 4.550 -0.000 0.000 0.337 248 Y C -2.059 173.854 175.900 0.021 0.000 0.966 248 Y CA -2.813 55.299 58.100 0.020 0.000 1.136 248 Y CB 1.326 39.789 38.460 0.005 0.000 1.170 248 Y HN 0.192 nan 8.280 nan 0.000 0.470 249 P HA 0.038 nan 4.420 nan 0.000 0.269 249 P C -0.619 176.695 177.300 0.024 0.000 1.215 249 P CA -0.454 62.677 63.100 0.052 0.000 0.780 249 P CB 0.771 32.445 31.700 -0.043 0.000 0.898 250 K N 0.971 121.370 120.400 -0.002 0.000 2.143 250 K HA 0.302 4.622 4.320 -0.000 0.000 0.272 250 K C -0.490 176.052 176.600 -0.096 0.000 1.001 250 K CA -0.282 55.992 56.287 -0.022 0.000 0.915 250 K CB 0.602 33.105 32.500 0.005 0.000 1.047 250 K HN 0.366 nan 8.250 nan 0.000 0.458 251 T N 2.941 117.427 114.554 -0.114 0.000 2.743 251 T HA 0.201 4.551 4.350 -0.000 0.000 0.293 251 T C -0.291 174.273 174.700 -0.227 0.000 0.945 251 T CA -0.560 61.438 62.100 -0.171 0.000 1.030 251 T CB 0.862 69.650 68.868 -0.132 0.000 0.912 251 T HN 0.210 nan 8.240 nan 0.000 0.483 252 V N 5.478 125.155 119.914 -0.395 0.000 2.567 252 V HA 0.509 4.629 4.120 -0.000 0.000 0.289 252 V C 0.406 176.252 176.094 -0.413 0.000 1.049 252 V CA -0.598 61.420 62.300 -0.469 0.000 0.969 252 V CB 1.188 32.536 31.823 -0.793 0.000 0.995 252 V HN 0.730 nan 8.190 nan 0.000 0.471 253 R N 2.876 123.253 120.500 -0.204 0.000 2.510 253 R HA 0.691 5.031 4.340 -0.000 0.000 0.294 253 R C -1.909 174.395 176.300 0.007 0.000 1.056 253 R CA -0.497 55.539 56.100 -0.107 0.000 0.918 253 R CB 2.295 32.550 30.300 -0.075 0.000 1.187 253 R HN 0.513 nan 8.270 nan 0.000 0.437 254 V N 4.104 124.030 119.914 0.020 0.000 2.525 254 V HA 0.337 4.457 4.120 -0.000 0.000 0.299 254 V C -2.396 173.760 176.094 0.103 0.000 1.034 254 V CA -2.307 60.061 62.300 0.113 0.000 0.863 254 V CB 2.194 34.046 31.823 0.049 0.000 0.999 254 V HN 0.600 nan 8.190 nan 0.000 0.423 255 P HA 0.157 nan 4.420 nan 0.000 0.266 255 P C -1.317 176.092 177.300 0.181 0.000 1.215 255 P CA 0.323 63.529 63.100 0.176 0.000 0.763 255 P CB -0.113 31.724 31.700 0.229 0.000 0.806 256 Y N 6.325 126.610 120.300 -0.024 0.000 2.301 256 Y HA 0.367 4.917 4.550 -0.000 0.000 0.325 256 Y C -2.777 173.100 175.900 -0.039 0.000 1.103 256 Y CA -2.878 55.159 58.100 -0.105 0.000 1.182 256 Y CB 1.737 40.021 38.460 -0.293 0.000 1.139 256 Y HN 0.274 nan 8.280 nan 0.000 0.443 257 P HA 0.257 nan 4.420 nan 0.000 0.286 257 P C -0.951 176.404 177.300 0.091 0.000 1.321 257 P CA -0.162 62.980 63.100 0.071 0.000 0.790 257 P CB 1.191 32.916 31.700 0.041 0.000 0.897 258 K N 2.010 122.539 120.400 0.215 0.000 2.107 258 K HA 0.513 4.833 4.320 -0.000 0.000 0.251 258 K C 0.507 177.207 176.600 0.167 0.000 1.012 258 K CA -0.778 55.655 56.287 0.244 0.000 0.920 258 K CB 0.745 33.404 32.500 0.264 0.000 1.033 258 K HN 0.437 nan 8.250 nan 0.000 0.478 259 A N 0.869 123.812 122.820 0.205 0.000 2.583 259 A HA 0.219 4.539 4.320 -0.000 0.000 0.249 259 A C 1.220 178.847 177.584 0.071 0.000 1.035 259 A CA 1.196 53.342 52.037 0.181 0.000 0.777 259 A CB -1.238 17.950 19.000 0.313 0.000 0.942 259 A HN 0.938 nan 8.150 nan 0.000 0.516 260 G N 0.901 109.730 108.800 0.049 0.000 2.195 260 G HA2 0.128 4.088 3.960 -0.000 0.000 0.246 260 G HA3 0.128 4.088 3.960 -0.000 0.000 0.246 260 G C 0.668 175.582 174.900 0.024 0.000 0.984 260 G CA 0.743 45.844 45.100 0.002 0.000 0.633 260 G HN 2.199 nan 8.290 nan 0.000 0.525 261 A N -0.222 122.629 122.820 0.052 0.000 2.240 261 A HA 0.779 5.099 4.320 -0.000 0.000 0.292 261 A C 0.884 178.502 177.584 0.056 0.000 1.121 261 A CA 0.292 52.363 52.037 0.056 0.000 0.851 261 A CB 0.612 19.659 19.000 0.079 0.000 1.167 261 A HN 1.192 nan 8.150 nan 0.000 0.503 262 V N 2.135 122.083 119.914 0.056 0.000 2.599 262 V HA 0.013 4.133 4.120 -0.000 0.000 0.300 262 V C 0.289 176.429 176.094 0.077 0.000 1.034 262 V CA 0.026 62.360 62.300 0.057 0.000 1.115 262 V CB -0.228 31.629 31.823 0.057 0.000 0.934 262 V HN 0.767 nan 8.190 nan 0.000 0.485 263 N N 5.904 124.649 118.700 0.076 0.000 2.492 263 N HA 0.454 5.194 4.740 -0.000 0.000 0.289 263 N C -2.397 173.197 175.510 0.139 0.000 1.133 263 N CA -1.579 51.540 53.050 0.115 0.000 0.961 263 N CB 1.297 39.855 38.487 0.118 0.000 1.186 263 N HN 0.410 nan 8.380 nan 0.000 0.493 264 P HA 0.037 nan 4.420 nan 0.000 0.268 264 P C -0.360 177.090 177.300 0.250 0.000 1.208 264 P CA -0.047 63.202 63.100 0.248 0.000 0.777 264 P CB 0.276 32.169 31.700 0.322 0.000 0.875 265 T N -1.104 113.573 114.554 0.205 0.000 2.944 265 T HA 0.593 4.943 4.350 -0.000 0.000 0.284 265 T C -0.220 174.593 174.700 0.188 0.000 1.010 265 T CA -0.851 61.335 62.100 0.144 0.000 1.025 265 T CB 1.537 70.450 68.868 0.075 0.000 1.079 265 T HN 0.352 nan 8.240 nan 0.000 0.516 266 V N 0.277 120.276 119.914 0.141 0.000 2.925 266 V HA 0.730 4.850 4.120 -0.000 0.000 0.311 266 V C -1.540 174.611 176.094 0.094 0.000 1.104 266 V CA -0.887 61.445 62.300 0.053 0.000 0.954 266 V CB 2.101 33.952 31.823 0.047 0.000 1.022 266 V HN 1.040 nan 8.190 nan 0.000 0.427 267 K N 4.428 124.831 120.400 0.005 0.000 2.385 267 K HA 0.590 4.910 4.320 -0.000 0.000 0.248 267 K C -1.855 174.670 176.600 -0.126 0.000 0.955 267 K CA -0.497 55.759 56.287 -0.051 0.000 0.816 267 K CB 2.766 35.204 32.500 -0.105 0.000 1.250 267 K HN 0.555 nan 8.250 nan 0.000 0.434 268 F N 2.230 121.903 119.950 -0.461 0.000 2.507 268 F HA 0.565 5.092 4.527 -0.000 0.000 0.325 268 F C -1.427 173.886 175.800 -0.813 0.000 1.116 268 F CA -0.658 57.062 58.000 -0.468 0.000 0.930 268 F CB 0.790 39.612 39.000 -0.297 0.000 1.146 268 F HN 0.388 nan 8.300 nan 0.000 0.447 269 F N 3.754 123.018 119.950 -1.142 0.000 2.629 269 F HA 0.773 5.300 4.527 -0.000 0.000 0.316 269 F C -1.012 174.084 175.800 -1.173 0.000 1.081 269 F CA -1.180 56.239 58.000 -0.969 0.000 0.954 269 F CB 2.148 40.556 39.000 -0.986 0.000 1.337 269 F HN 0.133 nan 8.300 nan 0.000 0.474 270 V N 2.164 121.820 119.914 -0.430 0.000 2.686 270 V HA 0.574 4.694 4.120 -0.000 0.000 0.306 270 V C -0.976 175.169 176.094 0.086 0.000 1.065 270 V CA -0.818 61.326 62.300 -0.260 0.000 0.894 270 V CB 1.811 33.396 31.823 -0.396 0.000 1.004 270 V HN 0.534 nan 8.190 nan 0.000 0.424 271 V N 3.176 123.200 119.914 0.184 0.000 2.513 271 V HA 0.448 4.568 4.120 -0.000 0.000 0.299 271 V C 0.107 176.406 176.094 0.341 0.000 1.035 271 V CA -0.725 61.722 62.300 0.246 0.000 0.889 271 V CB 2.066 33.981 31.823 0.153 0.000 0.988 271 V HN 0.897 nan 8.190 nan 0.000 0.440 272 N N 2.652 121.534 118.700 0.304 0.000 2.401 272 N HA 0.100 4.840 4.740 -0.000 0.000 0.255 272 N C 0.940 176.429 175.510 -0.036 0.000 1.110 272 N CA 0.159 53.261 53.050 0.085 0.000 0.949 272 N CB 1.563 40.096 38.487 0.077 0.000 1.110 272 N HN 0.707 nan 8.380 nan 0.000 0.490 273 T N 1.909 116.417 114.554 -0.076 0.000 3.035 273 T HA -0.039 4.311 4.350 -0.000 0.000 0.268 273 T C 0.692 175.347 174.700 -0.076 0.000 1.109 273 T CA 0.766 62.854 62.100 -0.020 0.000 1.119 273 T CB 0.222 69.186 68.868 0.161 0.000 0.900 273 T HN 0.494 nan 8.240 nan 0.000 0.503 274 D N 1.543 121.870 120.400 -0.120 0.000 2.201 274 D HA 0.004 4.644 4.640 -0.000 0.000 0.209 274 D C 1.634 177.875 176.300 -0.099 0.000 0.961 274 D CA 0.722 54.659 54.000 -0.105 0.000 0.861 274 D CB -0.210 40.519 40.800 -0.118 0.000 0.997 274 D HN 0.432 nan 8.370 nan 0.000 0.486 275 S N 1.138 116.786 115.700 -0.085 0.000 3.697 275 S HA 0.280 4.750 4.470 -0.000 0.000 0.207 275 S C 0.313 174.867 174.600 -0.077 0.000 1.459 275 S CA -0.467 57.700 58.200 -0.054 0.000 1.122 275 S CB -0.838 62.357 63.200 -0.009 0.000 1.311 275 S HN 0.048 nan 8.310 nan 0.000 0.487 276 L N 1.486 122.606 121.223 -0.172 0.000 2.322 276 L HA 0.606 4.946 4.340 -0.000 0.000 0.279 276 L C 0.405 177.180 176.870 -0.159 0.000 1.036 276 L CA -0.574 54.107 54.840 -0.266 0.000 0.807 276 L CB 1.833 43.486 42.059 -0.677 0.000 1.226 276 L HN 0.431 nan 8.230 nan 0.000 0.433 277 S N -0.096 115.608 115.700 0.007 0.000 2.532 277 S HA 0.324 4.794 4.470 -0.000 0.000 0.301 277 S C 0.829 175.615 174.600 0.309 0.000 1.083 277 S CA -0.590 57.696 58.200 0.144 0.000 1.025 277 S CB 1.834 65.094 63.200 0.099 0.000 1.056 277 S HN 0.628 nan 8.310 nan 0.000 0.494 278 S N 2.104 117.970 115.700 0.276 0.000 2.406 278 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 278 S C 1.667 176.356 174.600 0.148 0.000 1.020 278 S CA 1.337 59.663 58.200 0.210 0.000 0.965 278 S CB -0.368 62.910 63.200 0.129 0.000 0.798 278 S HN 0.829 nan 8.310 nan 0.000 0.488 279 V N -1.580 118.410 119.914 0.127 0.000 2.908 279 V HA 0.204 4.324 4.120 -0.000 0.000 0.240 279 V C 0.684 176.836 176.094 0.097 0.000 1.117 279 V CA 0.162 62.521 62.300 0.099 0.000 1.133 279 V CB -1.202 30.662 31.823 0.067 0.000 0.857 279 V HN 0.197 nan 8.190 nan 0.000 0.478 280 T N 3.592 118.201 114.554 0.092 0.000 2.799 280 T HA 0.207 4.557 4.350 -0.000 0.000 0.296 280 T C 0.039 174.800 174.700 0.102 0.000 0.947 280 T CA 0.052 62.197 62.100 0.074 0.000 1.141 280 T CB -0.201 68.704 68.868 0.061 0.000 0.891 280 T HN 0.392 nan 8.240 nan 0.000 0.533 281 N N 2.693 121.441 118.700 0.080 0.000 2.411 281 N HA 0.206 4.946 4.740 -0.000 0.000 0.261 281 N C 0.321 175.895 175.510 0.106 0.000 1.248 281 N CA -0.060 53.062 53.050 0.119 0.000 0.885 281 N CB 0.351 38.850 38.487 0.021 0.000 1.062 281 N HN 0.817 nan 8.380 nan 0.000 0.471 282 A N 2.553 125.452 122.820 0.133 0.000 2.531 282 A HA 0.192 4.512 4.320 -0.000 0.000 0.236 282 A C 0.236 177.869 177.584 0.081 0.000 1.062 282 A CA 0.225 52.313 52.037 0.086 0.000 0.760 282 A CB 0.029 19.067 19.000 0.062 0.000 0.995 282 A HN 0.558 nan 8.150 nan 0.000 0.501 283 T N 2.239 116.841 114.554 0.080 0.000 2.772 283 T HA 0.504 4.854 4.350 -0.000 0.000 0.288 283 T C 0.134 174.906 174.700 0.119 0.000 0.994 283 T CA -0.094 62.059 62.100 0.088 0.000 0.951 283 T CB 0.841 69.763 68.868 0.091 0.000 0.933 283 T HN 0.907 nan 8.240 nan 0.000 0.447 284 S N 3.847 119.606 115.700 0.099 0.000 2.462 284 S HA 0.619 5.089 4.470 -0.000 0.000 0.294 284 S C -0.154 174.563 174.600 0.196 0.000 1.144 284 S CA -0.998 57.277 58.200 0.124 0.000 1.088 284 S CB 0.525 63.751 63.200 0.043 0.000 1.009 284 S HN 0.485 nan 8.310 nan 0.000 0.484 285 I N 2.965 123.678 120.570 0.239 0.000 2.342 285 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 285 I C 0.597 176.837 176.117 0.206 0.000 1.010 285 I CA -0.156 61.298 61.300 0.258 0.000 1.308 285 I CB 1.065 39.266 38.000 0.336 0.000 1.400 285 I HN 0.862 nan 8.210 nan 0.000 0.488 286 Q N 6.308 126.220 119.800 0.187 0.000 2.286 286 Q HA 0.442 4.782 4.340 -0.000 0.000 0.257 286 Q C -0.948 174.982 176.000 -0.116 0.000 0.941 286 Q CA -0.413 55.303 55.803 -0.144 0.000 0.912 286 Q CB 1.134 29.754 28.738 -0.197 0.000 1.192 286 Q HN 0.528 nan 8.270 nan 0.000 0.410 287 I N 3.177 123.650 120.570 -0.163 0.000 2.336 287 I HA 0.232 4.402 4.170 -0.000 0.000 0.292 287 I C -0.141 175.943 176.117 -0.054 0.000 0.991 287 I CA -0.600 60.679 61.300 -0.035 0.000 1.227 287 I CB 1.813 39.846 38.000 0.055 0.000 1.366 287 I HN 0.528 nan 8.210 nan 0.000 0.466 288 T N 5.594 120.096 114.554 -0.087 0.000 2.767 288 T HA 0.446 4.796 4.350 -0.000 0.000 0.288 288 T C 0.441 174.941 174.700 -0.334 0.000 0.963 288 T CA -0.417 61.580 62.100 -0.172 0.000 1.019 288 T CB 1.276 70.053 68.868 -0.152 0.000 0.923 288 T HN 0.723 nan 8.240 nan 0.000 0.468 289 A N 5.732 128.144 122.820 -0.679 0.000 2.583 289 A HA 0.328 4.648 4.320 -0.000 0.000 0.231 289 A C -2.180 174.902 177.584 -0.836 0.000 1.065 289 A CA -0.819 50.357 52.037 -1.436 0.000 0.760 289 A CB -0.535 17.254 19.000 -2.018 0.000 1.001 289 A HN 0.499 nan 8.150 nan 0.000 0.509 290 P HA 0.223 nan 4.420 nan 0.000 0.268 290 P C 0.856 177.935 177.300 -0.368 0.000 1.204 290 P CA 0.641 63.481 63.100 -0.434 0.000 0.768 290 P CB 0.785 32.285 31.700 -0.333 0.000 0.842 291 A N 3.452 126.126 122.820 -0.244 0.000 1.985 291 A HA -0.279 4.041 4.320 -0.000 0.000 0.223 291 A C 2.016 179.491 177.584 -0.182 0.000 1.189 291 A CA 2.683 54.606 52.037 -0.191 0.000 0.658 291 A CB -1.788 17.133 19.000 -0.130 0.000 0.820 291 A HN 0.630 nan 8.150 nan 0.000 0.464 292 S N -2.032 113.571 115.700 -0.162 0.000 2.555 292 S HA 0.048 4.518 4.470 -0.000 0.000 0.230 292 S C 1.559 176.060 174.600 -0.165 0.000 0.978 292 S CA 1.235 59.355 58.200 -0.134 0.000 0.934 292 S CB -0.111 63.062 63.200 -0.045 0.000 0.766 292 S HN 0.423 nan 8.310 nan 0.000 0.533 293 M N 0.627 120.067 119.600 -0.267 0.000 2.657 293 M HA 0.391 4.871 4.480 -0.000 0.000 0.262 293 M C 1.803 177.865 176.300 -0.396 0.000 1.213 293 M CA 0.593 55.669 55.300 -0.373 0.000 1.182 293 M CB -0.968 31.226 32.600 -0.676 0.000 1.303 293 M HN 0.319 nan 8.290 nan 0.000 0.501 294 L N 0.938 121.940 121.223 -0.369 0.000 2.275 294 L HA -0.116 4.224 4.340 -0.000 0.000 0.215 294 L C 2.289 179.126 176.870 -0.055 0.000 1.119 294 L CA 0.683 55.417 54.840 -0.177 0.000 0.790 294 L CB -0.884 41.066 42.059 -0.182 0.000 0.919 294 L HN 0.290 nan 8.230 nan 0.000 0.443 295 I N -2.094 118.425 120.570 -0.084 0.000 2.530 295 I HA -0.004 4.166 4.170 -0.000 0.000 0.257 295 I C 1.121 177.222 176.117 -0.028 0.000 1.179 295 I CA 0.909 62.173 61.300 -0.059 0.000 1.440 295 I CB -0.691 37.259 38.000 -0.083 0.000 1.087 295 I HN 0.129 nan 8.210 nan 0.000 0.440 296 G N 0.032 108.836 108.800 0.007 0.000 2.870 296 G HA2 0.323 4.283 3.960 -0.000 0.000 0.299 296 G HA3 0.323 4.283 3.960 -0.000 0.000 0.299 296 G C -1.698 173.240 174.900 0.063 0.000 1.324 296 G CA -0.549 44.559 45.100 0.014 0.000 0.808 296 G HN 0.014 nan 8.290 nan 0.000 0.535 297 D N 0.986 121.366 120.400 -0.033 0.000 2.372 297 D HA 0.417 5.057 4.640 -0.000 0.000 0.243 297 D C 0.212 176.409 176.300 -0.173 0.000 1.121 297 D CA 0.559 54.465 54.000 -0.157 0.000 0.898 297 D CB 0.712 41.408 40.800 -0.174 0.000 1.202 297 D HN 0.550 nan 8.370 nan 0.000 0.428 298 H N -1.150 117.762 119.070 -0.264 0.000 2.918 298 H HA 0.413 4.969 4.556 -0.000 0.000 0.303 298 H C -1.354 173.775 175.328 -0.331 0.000 1.380 298 H CA -0.789 55.080 56.048 -0.299 0.000 1.134 298 H CB 0.382 30.124 29.762 -0.033 0.000 1.842 298 H HN 0.274 nan 8.280 nan 0.000 0.533 299 Y N 0.005 120.537 120.300 0.386 0.000 2.570 299 Y HA 0.381 4.931 4.550 -0.000 0.000 0.345 299 Y C -0.150 176.000 175.900 0.417 0.000 1.014 299 Y CA -1.285 57.013 58.100 0.329 0.000 1.063 299 Y CB 2.033 40.522 38.460 0.048 0.000 1.272 299 Y HN 0.399 nan 8.280 nan 0.000 0.477 300 L N 3.455 124.974 121.223 0.494 0.000 2.257 300 L HA 0.318 4.658 4.340 -0.000 0.000 0.290 300 L C 0.299 177.191 176.870 0.036 0.000 1.044 300 L CA -0.238 54.584 54.840 -0.030 0.000 0.810 300 L CB 0.570 42.528 42.059 -0.169 0.000 1.193 300 L HN 1.096 nan 8.230 nan 0.000 0.425 301 C N 1.470 120.711 119.300 -0.099 0.000 3.230 301 C HA 0.450 4.910 4.460 -0.000 0.000 0.300 301 C C 0.409 175.437 174.990 0.065 0.000 1.292 301 C CA -0.500 58.472 59.018 -0.077 0.000 1.707 301 C CB -0.062 27.648 27.740 -0.051 0.000 2.181 301 C HN 0.842 nan 8.230 nan 0.000 0.655 302 D N 0.093 120.478 120.400 -0.026 0.000 2.769 302 D HA 0.420 5.060 4.640 -0.000 0.000 0.219 302 D C -1.912 174.146 176.300 -0.402 0.000 1.245 302 D CA 0.090 54.055 54.000 -0.059 0.000 0.801 302 D CB 2.766 43.511 40.800 -0.091 0.000 1.598 302 D HN 0.041 nan 8.370 nan 0.000 0.485 303 V N 2.341 121.924 119.914 -0.550 0.000 2.525 303 V HA 0.550 4.670 4.120 -0.000 0.000 0.299 303 V C -0.334 175.382 176.094 -0.629 0.000 1.034 303 V CA -0.412 61.333 62.300 -0.925 0.000 0.863 303 V CB 1.893 32.640 31.823 -1.793 0.000 0.999 303 V HN 0.629 nan 8.190 nan 0.000 0.423 304 T N 3.391 117.640 114.554 -0.508 0.000 2.928 304 T HA 0.393 4.743 4.350 -0.000 0.000 0.296 304 T C -0.948 173.554 174.700 -0.331 0.000 1.000 304 T CA -0.417 61.535 62.100 -0.248 0.000 0.989 304 T CB 1.044 69.868 68.868 -0.073 0.000 1.005 304 T HN 0.544 nan 8.240 nan 0.000 0.442 305 W N 2.128 123.344 121.300 -0.140 0.000 2.304 305 W HA 0.490 5.150 4.660 -0.000 0.000 0.313 305 W C 1.058 177.410 176.519 -0.279 0.000 1.323 305 W CA -0.434 56.828 57.345 -0.139 0.000 1.223 305 W CB 0.673 30.146 29.460 0.021 0.000 1.237 305 W HN 0.877 nan 8.180 nan 0.000 0.535 306 A N 2.299 124.998 122.820 -0.201 0.000 1.942 306 A HA 0.201 4.521 4.320 -0.000 0.000 0.209 306 A C 0.904 178.417 177.584 -0.119 0.000 1.214 306 A CA 1.506 53.178 52.037 -0.608 0.000 0.686 306 A CB -0.253 18.106 19.000 -1.068 0.000 0.871 306 A HN 0.518 nan 8.150 nan 0.000 0.460 307 T N -5.577 109.035 114.554 0.098 0.000 2.618 307 T HA 0.311 4.661 4.350 -0.000 0.000 0.293 307 T C 0.141 175.002 174.700 0.269 0.000 1.093 307 T CA -0.357 61.841 62.100 0.162 0.000 1.061 307 T CB 0.527 69.478 68.868 0.138 0.000 1.498 307 T HN -0.038 nan 8.240 nan 0.000 0.494 308 Q N 0.372 120.290 119.800 0.196 0.000 2.291 308 Q HA -0.004 4.336 4.340 -0.000 0.000 0.206 308 Q C 0.862 177.084 176.000 0.369 0.000 0.976 308 Q CA 1.424 57.343 55.803 0.194 0.000 0.875 308 Q CB -0.073 28.741 28.738 0.127 0.000 0.927 308 Q HN 0.789 nan 8.270 nan 0.000 0.450 309 E N 0.017 120.436 120.200 0.365 0.000 2.714 309 E HA 0.163 4.513 4.350 -0.000 0.000 0.219 309 E C -0.111 176.721 176.600 0.386 0.000 0.979 309 E CA -0.171 56.428 56.400 0.332 0.000 1.092 309 E CB 0.980 30.782 29.700 0.170 0.000 1.049 309 E HN 0.020 nan 8.360 nan 0.000 0.487 310 R N 1.749 122.519 120.500 0.450 0.000 2.515 310 R HA 0.396 4.736 4.340 -0.000 0.000 0.291 310 R C -1.370 174.949 176.300 0.031 0.000 1.046 310 R CA -0.387 55.871 56.100 0.264 0.000 0.914 310 R CB 0.919 31.279 30.300 0.099 0.000 1.191 310 R HN -0.054 nan 8.270 nan 0.000 0.435 311 I N 2.148 122.586 120.570 -0.221 0.000 2.437 311 I HA 0.326 4.496 4.170 -0.000 0.000 0.298 311 I C 0.078 175.902 176.117 -0.488 0.000 0.984 311 I CA -0.947 59.940 61.300 -0.689 0.000 1.214 311 I CB 1.980 39.328 38.000 -1.085 0.000 1.365 311 I HN 0.497 nan 8.210 nan 0.000 0.469 312 S N 6.900 122.283 115.700 -0.530 0.000 2.437 312 S HA 0.688 5.158 4.470 -0.000 0.000 0.305 312 S C -0.788 173.492 174.600 -0.533 0.000 1.109 312 S CA -0.612 57.358 58.200 -0.384 0.000 1.099 312 S CB 0.403 63.485 63.200 -0.197 0.000 1.004 312 S HN 0.483 nan 8.310 nan 0.000 0.475 313 L N 4.705 125.628 121.223 -0.500 0.000 2.381 313 L HA 0.538 4.878 4.340 -0.000 0.000 0.274 313 L C -0.279 176.274 176.870 -0.528 0.000 0.988 313 L CA -0.674 53.753 54.840 -0.688 0.000 0.824 313 L CB 1.996 43.578 42.059 -0.795 0.000 1.263 313 L HN 0.580 nan 8.230 nan 0.000 0.410 314 Q N 2.144 121.597 119.800 -0.579 0.000 2.293 314 Q HA 0.436 4.776 4.340 -0.000 0.000 0.261 314 Q C -1.605 174.113 176.000 -0.470 0.000 0.960 314 Q CA -0.566 55.017 55.803 -0.366 0.000 0.882 314 Q CB 2.422 31.028 28.738 -0.220 0.000 1.275 314 Q HN 0.432 nan 8.270 nan 0.000 0.445 315 W N 2.210 123.468 121.300 -0.071 0.000 2.719 315 W HA 0.666 5.326 4.660 -0.000 0.000 0.352 315 W C -0.870 175.678 176.519 0.048 0.000 1.085 315 W CA -0.660 56.684 57.345 -0.002 0.000 1.187 315 W CB 1.057 30.485 29.460 -0.054 0.000 1.417 315 W HN 0.392 nan 8.180 nan 0.000 0.557 316 L N 1.717 123.167 121.223 0.378 0.000 2.455 316 L HA 0.557 4.897 4.340 -0.000 0.000 0.264 316 L C -0.420 176.620 176.870 0.282 0.000 0.968 316 L CA -1.154 53.866 54.840 0.300 0.000 0.827 316 L CB 1.596 43.826 42.059 0.284 0.000 1.317 316 L HN 0.397 nan 8.230 nan 0.000 0.407 317 R N 2.721 123.359 120.500 0.230 0.000 2.594 317 R HA 0.262 4.602 4.340 -0.000 0.000 0.272 317 R C 1.000 177.326 176.300 0.043 0.000 1.074 317 R CA -0.300 55.873 56.100 0.122 0.000 1.105 317 R CB 0.709 31.077 30.300 0.114 0.000 1.008 317 R HN 0.681 nan 8.270 nan 0.000 0.472 318 R N 1.893 122.309 120.500 -0.140 0.000 2.119 318 R HA -0.111 4.229 4.340 -0.000 0.000 0.246 318 R C 0.520 176.859 176.300 0.066 0.000 1.146 318 R CA 1.259 57.258 56.100 -0.167 0.000 0.962 318 R CB 0.107 30.285 30.300 -0.204 0.000 0.863 318 R HN 0.455 nan 8.270 nan 0.000 0.442 319 I N 3.050 123.644 120.570 0.040 0.000 2.389 319 I HA -0.034 4.136 4.170 -0.000 0.000 0.295 319 I C 0.215 176.388 176.117 0.094 0.000 1.117 319 I CA 0.624 61.959 61.300 0.058 0.000 1.317 319 I CB 0.967 38.987 38.000 0.034 0.000 1.431 319 I HN 0.330 nan 8.210 nan 0.000 0.521 320 Q N 4.122 123.980 119.800 0.095 0.000 2.380 320 Q HA -0.004 4.335 4.340 -0.000 0.000 0.254 320 Q C 0.903 176.984 176.000 0.134 0.000 0.927 320 Q CA -0.062 55.815 55.803 0.124 0.000 0.950 320 Q CB -0.101 28.676 28.738 0.066 0.000 1.206 320 Q HN 0.472 nan 8.270 nan 0.000 0.414 321 N N -0.178 118.604 118.700 0.137 0.000 2.376 321 N HA -0.038 4.702 4.740 -0.000 0.000 0.177 321 N C -0.996 174.631 175.510 0.195 0.000 1.024 321 N CA 0.657 53.789 53.050 0.137 0.000 0.893 321 N CB 0.439 38.997 38.487 0.120 0.000 0.980 321 N HN 0.320 nan 8.380 nan 0.000 0.439 322 Y N -0.131 120.199 120.300 0.050 0.000 2.433 322 Y HA 0.450 5.000 4.550 -0.000 0.000 0.337 322 Y C -1.173 174.766 175.900 0.066 0.000 1.026 322 Y CA -1.092 57.036 58.100 0.046 0.000 1.037 322 Y CB 1.253 39.730 38.460 0.029 0.000 1.245 322 Y HN -0.068 nan 8.280 nan 0.000 0.443 323 S N 3.933 119.527 115.700 -0.178 0.000 2.549 323 S HA 0.877 5.346 4.470 -0.000 0.000 0.280 323 S C -1.969 172.519 174.600 -0.185 0.000 1.109 323 S CA -0.840 57.324 58.200 -0.061 0.000 0.905 323 S CB 1.857 65.065 63.200 0.012 0.000 1.081 323 S HN 0.467 nan 8.310 nan 0.000 0.477 324 V N 3.058 122.973 119.914 0.001 0.000 2.487 324 V HA 0.495 4.615 4.120 -0.000 0.000 0.298 324 V C -0.388 175.758 176.094 0.088 0.000 1.028 324 V CA -0.615 61.693 62.300 0.013 0.000 0.860 324 V CB 1.676 33.536 31.823 0.061 0.000 0.991 324 V HN 1.029 nan 8.190 nan 0.000 0.427 325 M N 4.170 123.782 119.600 0.020 0.000 2.113 325 M HA 0.462 4.942 4.480 -0.000 0.000 0.352 325 M C -0.992 175.324 176.300 0.025 0.000 1.170 325 M CA -0.205 55.086 55.300 -0.014 0.000 1.053 325 M CB 0.741 33.283 32.600 -0.097 0.000 1.601 325 M HN 0.576 nan 8.290 nan 0.000 0.459 326 D N 5.003 125.422 120.400 0.031 0.000 2.168 326 D HA 0.486 5.126 4.640 -0.000 0.000 0.246 326 D C -1.149 175.136 176.300 -0.025 0.000 1.050 326 D CA -0.069 53.949 54.000 0.030 0.000 0.857 326 D CB 1.507 42.368 40.800 0.102 0.000 1.169 326 D HN 0.579 nan 8.370 nan 0.000 0.453 327 I N 2.521 123.093 120.570 0.004 0.000 2.355 327 I HA 0.247 4.417 4.170 -0.000 0.000 0.288 327 I C -0.688 175.442 176.117 0.021 0.000 0.999 327 I CA -0.311 60.995 61.300 0.010 0.000 1.163 327 I CB 1.104 39.154 38.000 0.084 0.000 1.316 327 I HN 0.270 nan 8.210 nan 0.000 0.454 328 c N 4.616 123.223 118.600 0.012 0.000 2.301 328 c HA 0.508 5.078 4.570 -0.000 0.000 0.323 328 c C -0.450 173.809 174.090 0.283 0.000 1.265 328 c CA -0.907 55.492 56.329 0.116 0.000 1.503 328 c CB 0.322 42.862 42.510 0.050 0.000 2.195 328 c HN 0.571 nan 8.230 nan 0.000 0.477 329 D N 0.738 121.276 120.400 0.230 0.000 2.181 329 D HA 0.246 4.886 4.640 -0.000 0.000 0.248 329 D C -0.587 175.650 176.300 -0.106 0.000 1.020 329 D CA -0.215 53.866 54.000 0.136 0.000 0.891 329 D CB 1.138 41.964 40.800 0.043 0.000 1.187 329 D HN 0.600 nan 8.370 nan 0.000 0.443 330 Y N 1.382 121.263 120.300 -0.700 0.000 2.402 330 Y HA 0.115 4.665 4.550 -0.000 0.000 0.333 330 Y C 0.055 175.641 175.900 -0.524 0.000 1.076 330 Y CA -0.168 57.205 58.100 -1.212 0.000 1.299 330 Y CB 0.673 38.294 38.460 -1.399 0.000 1.197 330 Y HN 0.125 nan 8.280 nan 0.000 0.517 331 D N 5.506 125.312 120.400 -0.989 0.000 2.411 331 D HA 0.135 4.775 4.640 -0.000 0.000 0.225 331 D C 1.052 176.841 176.300 -0.851 0.000 1.156 331 D CA 0.700 54.303 54.000 -0.663 0.000 0.874 331 D CB 1.100 41.654 40.800 -0.410 0.000 1.034 331 D HN 0.960 nan 8.370 nan 0.000 0.502 332 E N 2.419 122.367 120.200 -0.419 0.000 2.097 332 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 332 E C 1.807 178.346 176.600 -0.101 0.000 1.000 332 E CA 2.068 58.412 56.400 -0.093 0.000 0.804 332 E CB -0.659 29.101 29.700 0.100 0.000 0.740 332 E HN 0.605 nan 8.360 nan 0.000 0.454 333 S N -0.244 115.383 115.700 -0.121 0.000 2.326 333 S HA -0.155 4.315 4.470 -0.000 0.000 0.211 333 S C 2.416 176.949 174.600 -0.111 0.000 1.031 333 S CA 1.753 59.906 58.200 -0.078 0.000 0.985 333 S CB -0.745 62.419 63.200 -0.060 0.000 0.961 333 S HN 0.645 nan 8.310 nan 0.000 0.436 334 S N 1.286 116.893 115.700 -0.154 0.000 2.422 334 S HA -0.144 4.326 4.470 -0.000 0.000 0.241 334 S C 1.819 176.331 174.600 -0.145 0.000 1.076 334 S CA 2.621 60.733 58.200 -0.146 0.000 1.066 334 S CB -1.631 61.461 63.200 -0.180 0.000 0.890 334 S HN 1.840 nan 8.310 nan 0.000 0.465 335 G N 0.427 109.069 108.800 -0.263 0.000 2.257 335 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.267 335 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.267 335 G C 0.315 175.099 174.900 -0.193 0.000 0.984 335 G CA 0.696 45.694 45.100 -0.170 0.000 0.626 335 G HN 0.575 nan 8.290 nan 0.000 0.540 336 R N -1.002 119.351 120.500 -0.245 0.000 2.574 336 R HA 0.599 4.939 4.340 -0.000 0.000 0.266 336 R C -0.462 175.689 176.300 -0.248 0.000 1.157 336 R CA -0.719 55.323 56.100 -0.095 0.000 1.187 336 R CB 0.084 30.358 30.300 -0.043 0.000 1.179 336 R HN 0.261 nan 8.270 nan 0.000 0.600 337 W N 0.310 121.572 121.300 -0.064 0.000 2.600 337 W HA 0.383 5.043 4.660 -0.000 0.000 0.325 337 W C -0.289 176.197 176.519 -0.055 0.000 1.034 337 W CA -0.466 56.849 57.345 -0.050 0.000 1.226 337 W CB 1.188 30.639 29.460 -0.015 0.000 1.379 337 W HN 0.213 nan 8.180 nan 0.000 0.466 338 N N 2.229 121.003 118.700 0.123 0.000 2.362 338 N HA 0.433 5.173 4.740 -0.000 0.000 0.298 338 N C -1.434 174.114 175.510 0.064 0.000 1.048 338 N CA -0.469 52.617 53.050 0.061 0.000 0.858 338 N CB 2.001 40.487 38.487 -0.002 0.000 1.218 338 N HN 0.244 nan 8.380 nan 0.000 0.488 339 c N 2.843 121.462 118.600 0.031 0.000 2.357 339 c HA 0.298 4.868 4.570 -0.000 0.000 0.300 339 c C 0.027 174.112 174.090 -0.009 0.000 1.074 339 c CA -0.743 55.594 56.329 0.014 0.000 1.566 339 c CB -1.329 41.179 42.510 -0.003 0.000 1.791 339 c HN 0.507 nan 8.230 nan 0.000 0.415 340 L N 3.118 124.339 121.223 -0.004 0.000 2.615 340 L HA 0.009 4.349 4.340 -0.000 0.000 0.271 340 L C 1.613 178.466 176.870 -0.029 0.000 1.183 340 L CA 0.735 55.566 54.840 -0.016 0.000 0.933 340 L CB 0.189 42.243 42.059 -0.009 0.000 1.199 340 L HN 0.555 nan 8.230 nan 0.000 0.487 341 V N 3.775 123.666 119.914 -0.039 0.000 2.370 341 V HA -0.374 3.746 4.120 -0.000 0.000 0.252 341 V C 2.309 178.369 176.094 -0.056 0.000 1.068 341 V CA 2.018 64.289 62.300 -0.048 0.000 1.061 341 V CB -1.206 30.589 31.823 -0.047 0.000 0.656 341 V HN 0.994 nan 8.190 nan 0.000 0.455 342 A N -0.308 122.482 122.820 -0.050 0.000 2.019 342 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 342 A C 2.383 179.911 177.584 -0.094 0.000 1.164 342 A CA 1.693 53.694 52.037 -0.061 0.000 0.644 342 A CB -0.475 18.500 19.000 -0.043 0.000 0.805 342 A HN 0.550 nan 8.150 nan 0.000 0.449 343 R N -0.427 120.028 120.500 -0.076 0.000 2.240 343 R HA 0.051 4.391 4.340 -0.000 0.000 0.203 343 R C 0.169 176.375 176.300 -0.158 0.000 1.011 343 R CA -0.017 56.031 56.100 -0.087 0.000 1.007 343 R CB -0.015 30.286 30.300 0.002 0.000 0.911 343 R HN 0.642 nan 8.270 nan 0.000 0.468 344 Q N 1.123 120.848 119.800 -0.126 0.000 2.269 344 Q HA -0.064 4.276 4.340 -0.000 0.000 0.300 344 Q C -0.617 175.255 176.000 -0.213 0.000 1.070 344 Q CA 0.730 56.470 55.803 -0.105 0.000 0.957 344 Q CB 0.388 29.087 28.738 -0.066 0.000 1.131 344 Q HN 0.219 nan 8.270 nan 0.000 0.377 345 H N 2.962 122.027 119.070 -0.009 0.000 2.488 345 H HA 0.370 4.926 4.556 -0.000 0.000 0.322 345 H C -0.367 174.924 175.328 -0.061 0.000 1.078 345 H CA -0.391 55.651 56.048 -0.011 0.000 1.260 345 H CB 0.795 30.546 29.762 -0.019 0.000 1.425 345 H HN 0.482 nan 8.280 nan 0.000 0.471 346 I N 3.017 123.607 120.570 0.034 0.000 2.404 346 I HA 0.165 4.335 4.170 -0.000 0.000 0.293 346 I C 0.215 176.276 176.117 -0.094 0.000 0.992 346 I CA -0.421 60.807 61.300 -0.120 0.000 1.149 346 I CB 1.646 39.545 38.000 -0.169 0.000 1.315 346 I HN 0.390 nan 8.210 nan 0.000 0.446 347 E N 7.190 127.286 120.200 -0.174 0.000 2.171 347 E HA 0.630 4.980 4.350 -0.000 0.000 0.271 347 E C -1.035 175.464 176.600 -0.169 0.000 0.916 347 E CA -0.681 55.660 56.400 -0.099 0.000 0.774 347 E CB 2.607 32.280 29.700 -0.046 0.000 1.128 347 E HN 0.473 nan 8.360 nan 0.000 0.403 348 M N 0.995 120.556 119.600 -0.065 0.000 2.727 348 M HA 0.437 4.917 4.480 -0.000 0.000 0.300 348 M C -0.540 175.772 176.300 0.020 0.000 1.246 348 M CA -0.836 54.465 55.300 0.001 0.000 0.835 348 M CB 2.537 35.176 32.600 0.064 0.000 1.755 348 M HN 0.338 nan 8.290 nan 0.000 0.473 349 S N -0.863 114.858 115.700 0.035 0.000 2.546 349 S HA 0.516 4.986 4.470 -0.000 0.000 0.272 349 S C -0.074 174.531 174.600 0.009 0.000 1.140 349 S CA -0.596 57.608 58.200 0.007 0.000 0.920 349 S CB 1.411 64.590 63.200 -0.035 0.000 1.083 349 S HN 0.797 nan 8.310 nan 0.000 0.476 350 T N 0.353 114.909 114.554 0.003 0.000 3.023 350 T HA 0.094 4.444 4.350 -0.000 0.000 0.253 350 T C 1.586 176.277 174.700 -0.014 0.000 1.038 350 T CA 0.683 62.785 62.100 0.004 0.000 0.962 350 T CB -0.053 68.822 68.868 0.012 0.000 1.018 350 T HN 0.720 nan 8.240 nan 0.000 0.521 351 T N -1.378 113.159 114.554 -0.029 0.000 3.022 351 T HA 0.598 4.948 4.350 -0.000 0.000 0.250 351 T C 1.087 175.669 174.700 -0.196 0.000 1.060 351 T CA 0.518 62.603 62.100 -0.025 0.000 1.013 351 T CB 0.360 69.275 68.868 0.077 0.000 0.982 351 T HN 0.542 nan 8.240 nan 0.000 0.508 352 G N 0.465 109.049 108.800 -0.361 0.000 2.539 352 G HA2 0.429 4.389 3.960 -0.000 0.000 0.138 352 G HA3 0.429 4.389 3.960 -0.000 0.000 0.138 352 G C -1.716 173.018 174.900 -0.275 0.000 1.148 352 G CA -0.488 44.249 45.100 -0.605 0.000 1.057 352 G HN 0.541 nan 8.290 nan 0.000 0.511 353 W N 0.041 121.078 121.300 -0.439 0.000 2.485 353 W HA 0.782 5.442 4.660 0.000 0.000 0.364 353 W C -0.350 176.115 176.519 -0.090 0.000 1.171 353 W CA -1.370 55.845 57.345 -0.217 0.000 1.304 353 W CB 1.076 30.377 29.460 -0.265 0.000 1.335 353 W HN 0.287 nan 8.180 nan 0.000 0.643 354 V N 3.400 123.389 119.914 0.125 0.000 2.461 354 V HA 0.629 4.749 4.120 -0.000 0.000 0.275 354 V C 0.802 176.964 176.094 0.113 0.000 1.047 354 V CA 0.571 62.905 62.300 0.057 0.000 0.955 354 V CB -0.071 31.792 31.823 0.066 0.000 0.988 354 V HN 1.247 nan 8.190 nan 0.000 0.471 355 G N 5.226 114.047 108.800 0.036 0.000 2.758 355 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 355 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 355 G C 0.372 175.337 174.900 0.108 0.000 1.389 355 G CA 0.075 45.225 45.100 0.084 0.000 0.845 355 G HN 0.681 nan 8.290 nan 0.000 0.572 356 R N -0.040 120.517 120.500 0.096 0.000 2.097 356 R HA -0.066 4.274 4.340 -0.000 0.000 0.236 356 R C 1.866 178.131 176.300 -0.059 0.000 1.135 356 R CA 2.417 58.527 56.100 0.017 0.000 0.934 356 R CB -0.159 30.162 30.300 0.036 0.000 0.846 356 R HN 0.523 nan 8.270 nan 0.000 0.431 357 F N -0.996 119.109 119.950 0.260 0.000 2.831 357 F HA 0.289 4.816 4.527 -0.000 0.000 0.334 357 F C 0.412 176.259 175.800 0.077 0.000 1.071 357 F CA -0.514 57.582 58.000 0.159 0.000 1.172 357 F CB 0.738 39.822 39.000 0.141 0.000 1.054 357 F HN -0.063 nan 8.300 nan 0.000 0.572 358 R N -1.112 119.550 120.500 0.270 0.000 2.828 358 R HA 0.345 4.685 4.340 -0.000 0.000 0.280 358 R C -3.457 172.926 176.300 0.138 0.000 1.020 358 R CA -1.761 54.430 56.100 0.152 0.000 0.855 358 R CB 0.104 30.461 30.300 0.094 0.000 1.278 358 R HN -0.347 nan 8.270 nan 0.000 0.495 359 P HA -0.024 nan 4.420 nan 0.000 0.265 359 P C -0.215 177.126 177.300 0.069 0.000 1.187 359 P CA 0.153 63.290 63.100 0.062 0.000 0.766 359 P CB 0.623 32.335 31.700 0.020 0.000 0.820 360 S N 1.089 116.835 115.700 0.076 0.000 2.593 360 S HA 0.111 4.581 4.470 -0.000 0.000 0.269 360 S C 0.122 174.762 174.600 0.066 0.000 1.334 360 S CA -0.797 57.466 58.200 0.106 0.000 1.015 360 S CB 0.438 63.716 63.200 0.130 0.000 0.912 360 S HN 0.545 nan 8.310 nan 0.000 0.541 361 E N 2.240 122.502 120.200 0.104 0.000 2.344 361 E HA 0.217 4.567 4.350 -0.000 0.000 0.270 361 E C -2.301 174.314 176.600 0.026 0.000 1.021 361 E CA -2.031 54.385 56.400 0.027 0.000 0.887 361 E CB 0.452 30.173 29.700 0.035 0.000 0.997 361 E HN 0.437 nan 8.360 nan 0.000 0.429 362 P HA 0.147 nan 4.420 nan 0.000 0.290 362 P C -1.261 175.924 177.300 -0.191 0.000 1.276 362 P CA -0.156 62.814 63.100 -0.216 0.000 0.808 362 P CB 0.774 31.998 31.700 -0.793 0.000 0.966 363 H N 2.883 121.969 119.070 0.026 0.000 2.595 363 H HA 0.290 4.846 4.556 -0.000 0.000 0.313 363 H C -0.172 175.276 175.328 0.201 0.000 1.023 363 H CA -0.376 55.776 56.048 0.173 0.000 1.218 363 H CB 0.447 30.340 29.762 0.219 0.000 1.403 363 H HN 0.313 nan 8.280 nan 0.000 0.477 364 F N 1.698 121.831 119.950 0.304 0.000 2.382 364 F HA 0.071 4.598 4.527 -0.000 0.000 0.331 364 F C 1.585 177.578 175.800 0.321 0.000 1.121 364 F CA -0.501 57.686 58.000 0.312 0.000 1.183 364 F CB 1.007 40.121 39.000 0.191 0.000 1.207 364 F HN 0.398 nan 8.300 nan 0.000 0.555 365 T N 0.255 115.111 114.554 0.504 0.000 2.813 365 T HA 0.120 4.470 4.350 -0.000 0.000 0.297 365 T C 1.097 175.992 174.700 0.325 0.000 1.036 365 T CA -0.789 61.544 62.100 0.390 0.000 1.044 365 T CB 0.736 69.812 68.868 0.348 0.000 0.993 365 T HN 0.553 nan 8.240 nan 0.000 0.535 366 L N 1.424 122.794 121.223 0.244 0.000 1.997 366 L HA -0.112 4.228 4.340 -0.000 0.000 0.216 366 L C 2.085 179.065 176.870 0.182 0.000 1.074 366 L CA 2.537 57.493 54.840 0.194 0.000 0.763 366 L CB -1.311 40.839 42.059 0.152 0.000 0.890 366 L HN 0.961 nan 8.230 nan 0.000 0.434 367 D N -1.260 119.248 120.400 0.180 0.000 2.378 367 D HA 0.054 4.694 4.640 -0.000 0.000 0.227 367 D C 1.613 178.020 176.300 0.179 0.000 1.012 367 D CA 0.775 54.871 54.000 0.159 0.000 0.905 367 D CB -0.709 40.175 40.800 0.140 0.000 0.895 367 D HN 0.493 nan 8.370 nan 0.000 0.532 368 G N 0.421 109.364 108.800 0.240 0.000 2.187 368 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.261 368 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.261 368 G C 0.972 176.068 174.900 0.327 0.000 1.000 368 G CA 0.427 45.689 45.100 0.270 0.000 0.718 368 G HN 0.420 nan 8.290 nan 0.000 0.519 369 N N -0.016 118.851 118.700 0.280 0.000 2.299 369 N HA 0.166 4.906 4.740 -0.000 0.000 0.187 369 N C 0.696 176.325 175.510 0.198 0.000 1.099 369 N CA 1.080 54.263 53.050 0.222 0.000 0.867 369 N CB 0.407 38.983 38.487 0.149 0.000 0.974 369 N HN 0.741 nan 8.380 nan 0.000 0.477 370 S N -0.479 115.362 115.700 0.235 0.000 2.607 370 S HA 0.742 5.212 4.470 -0.000 0.000 0.273 370 S C -0.865 173.788 174.600 0.088 0.000 1.148 370 S CA -0.934 57.271 58.200 0.009 0.000 0.833 370 S CB 1.915 65.043 63.200 -0.120 0.000 1.130 370 S HN 0.138 nan 8.310 nan 0.000 0.470 371 F N -1.903 117.830 119.950 -0.361 0.000 2.711 371 F HA 0.845 5.371 4.527 -0.000 0.000 0.313 371 F C -2.172 173.387 175.800 -0.401 0.000 1.141 371 F CA -1.538 56.215 58.000 -0.412 0.000 0.941 371 F CB 0.616 39.024 39.000 -0.987 0.000 1.349 371 F HN 0.580 nan 8.300 nan 0.000 0.464 372 Y N 0.790 121.231 120.300 0.235 0.000 2.468 372 Y HA 0.728 5.278 4.550 -0.000 0.000 0.342 372 Y C -0.318 175.757 175.900 0.292 0.000 1.021 372 Y CA -1.020 57.207 58.100 0.212 0.000 1.079 372 Y CB 2.278 40.822 38.460 0.140 0.000 1.226 372 Y HN 0.691 nan 8.280 nan 0.000 0.460 373 K N 2.353 122.987 120.400 0.390 0.000 2.543 373 K HA 0.484 4.804 4.320 -0.000 0.000 0.255 373 K C -1.622 175.114 176.600 0.227 0.000 0.934 373 K CA -0.548 55.928 56.287 0.314 0.000 0.810 373 K CB 1.680 34.348 32.500 0.280 0.000 1.315 373 K HN 0.686 nan 8.250 nan 0.000 0.433 374 I N 5.353 126.031 120.570 0.180 0.000 2.517 374 I HA 0.139 4.309 4.170 -0.000 0.000 0.285 374 I C -0.025 176.176 176.117 0.139 0.000 1.106 374 I CA -0.039 61.342 61.300 0.135 0.000 1.402 374 I CB 0.313 38.386 38.000 0.120 0.000 1.399 374 I HN 0.345 nan 8.210 nan 0.000 0.535 375 I N 4.941 125.608 120.570 0.160 0.000 2.647 375 I HA 0.150 4.320 4.170 -0.000 0.000 0.295 375 I C 0.159 176.402 176.117 0.210 0.000 1.078 375 I CA -0.532 60.878 61.300 0.184 0.000 1.048 375 I CB 2.096 40.204 38.000 0.180 0.000 1.239 375 I HN 0.419 nan 8.210 nan 0.000 0.421 376 S N 5.144 120.909 115.700 0.109 0.000 2.465 376 S HA 0.144 4.614 4.470 -0.000 0.000 0.280 376 S C 0.152 174.786 174.600 0.057 0.000 1.232 376 S CA -0.494 57.717 58.200 0.018 0.000 1.066 376 S CB -0.274 62.876 63.200 -0.083 0.000 0.929 376 S HN 0.701 nan 8.310 nan 0.000 0.494 377 N N 4.329 122.993 118.700 -0.059 0.000 2.364 377 N HA 0.183 4.923 4.740 -0.000 0.000 0.264 377 N C 0.770 176.163 175.510 -0.194 0.000 1.263 377 N CA -0.392 52.478 53.050 -0.300 0.000 0.959 377 N CB 0.104 38.129 38.487 -0.771 0.000 1.204 377 N HN 0.464 nan 8.380 nan 0.000 0.550 378 E N -0.332 119.731 120.200 -0.229 0.000 2.204 378 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 378 E C 0.742 177.277 176.600 -0.109 0.000 0.990 378 E CA 1.136 57.458 56.400 -0.129 0.000 0.821 378 E CB -0.178 29.454 29.700 -0.115 0.000 0.750 378 E HN 0.643 nan 8.360 nan 0.000 0.477 379 E N -0.720 119.417 120.200 -0.105 0.000 2.511 379 E HA 0.077 4.427 4.350 -0.000 0.000 0.196 379 E C 1.054 177.626 176.600 -0.047 0.000 1.066 379 E CA 0.639 57.030 56.400 -0.015 0.000 0.871 379 E CB 0.056 29.797 29.700 0.068 0.000 0.863 379 E HN 0.359 nan 8.360 nan 0.000 0.520 380 G N -0.498 108.218 108.800 -0.141 0.000 2.157 380 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 380 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 380 G C -0.276 174.358 174.900 -0.443 0.000 0.979 380 G CA 0.071 44.989 45.100 -0.304 0.000 0.650 380 G HN 0.243 nan 8.290 nan 0.000 0.529 381 Y N 0.377 120.555 120.300 -0.203 0.000 2.334 381 Y HA 0.641 5.191 4.550 -0.000 0.000 0.328 381 Y C 1.267 177.035 175.900 -0.220 0.000 1.130 381 Y CA -0.787 57.184 58.100 -0.214 0.000 1.163 381 Y CB 0.861 39.201 38.460 -0.200 0.000 1.207 381 Y HN 0.060 nan 8.280 nan 0.000 0.471 382 R N 2.706 123.115 120.500 -0.152 0.000 2.216 382 R HA 0.326 4.665 4.340 -0.000 0.000 0.332 382 R C -1.111 174.975 176.300 -0.355 0.000 1.056 382 R CA -0.201 55.810 56.100 -0.147 0.000 0.901 382 R CB 0.131 30.378 30.300 -0.088 0.000 1.039 382 R HN 0.746 nan 8.270 nan 0.000 0.456 383 H N 0.637 119.719 119.070 0.019 0.000 2.908 383 H HA 0.401 4.957 4.556 -0.000 0.000 0.350 383 H C -0.347 175.042 175.328 0.102 0.000 1.217 383 H CA -0.841 55.197 56.048 -0.016 0.000 1.168 383 H CB 1.602 31.280 29.762 -0.139 0.000 1.891 383 H HN 0.328 nan 8.280 nan 0.000 0.566 384 I N 1.161 121.816 120.570 0.142 0.000 2.416 384 I HA 0.104 4.274 4.170 -0.000 0.000 0.288 384 I C -0.325 175.763 176.117 -0.047 0.000 1.051 384 I CA 0.103 61.422 61.300 0.032 0.000 1.375 384 I CB 0.396 38.349 38.000 -0.077 0.000 1.407 384 I HN 0.288 nan 8.210 nan 0.000 0.516 385 c N 7.128 125.644 118.600 -0.141 0.000 2.417 385 c HA 0.397 4.967 4.570 -0.000 0.000 0.324 385 c C -0.439 173.435 174.090 -0.360 0.000 1.240 385 c CA -0.540 55.475 56.329 -0.524 0.000 1.632 385 c CB 0.750 42.769 42.510 -0.819 0.000 2.241 385 c HN 0.635 nan 8.230 nan 0.000 0.499 386 Y N 5.107 125.015 120.300 -0.653 0.000 2.367 386 Y HA 0.626 5.176 4.550 -0.000 0.000 0.342 386 Y C -1.000 174.387 175.900 -0.857 0.000 0.979 386 Y CA -0.759 56.918 58.100 -0.705 0.000 1.161 386 Y CB 0.106 38.276 38.460 -0.483 0.000 1.155 386 Y HN 0.609 nan 8.280 nan 0.000 0.503 387 F N 4.117 123.275 119.950 -1.321 0.000 2.443 387 F HA 0.501 5.028 4.527 -0.000 0.000 0.335 387 F C -0.240 174.748 175.800 -1.355 0.000 1.104 387 F CA -0.697 56.480 58.000 -1.371 0.000 1.013 387 F CB 1.685 39.490 39.000 -1.992 0.000 1.136 387 F HN 0.332 nan 8.300 nan 0.000 0.470 388 Q N 3.602 122.995 119.800 -0.678 0.000 2.333 388 Q HA 0.325 4.665 4.340 -0.000 0.000 0.268 388 Q C 0.592 176.530 176.000 -0.103 0.000 1.007 388 Q CA -0.810 54.742 55.803 -0.418 0.000 0.810 388 Q CB 2.471 31.006 28.738 -0.338 0.000 1.264 388 Q HN 0.554 nan 8.270 nan 0.000 0.452 389 I N 1.534 122.115 120.570 0.018 0.000 2.103 389 I HA -0.350 3.820 4.170 -0.000 0.000 0.241 389 I C 1.232 177.440 176.117 0.152 0.000 1.036 389 I CA 1.914 63.323 61.300 0.182 0.000 1.300 389 I CB -0.433 37.682 38.000 0.191 0.000 1.010 389 I HN 0.738 nan 8.210 nan 0.000 0.406 390 D N 0.524 120.967 120.400 0.071 0.000 2.339 390 D HA 0.011 4.651 4.640 -0.000 0.000 0.217 390 D C 0.602 176.910 176.300 0.013 0.000 1.050 390 D CA 0.229 54.251 54.000 0.037 0.000 0.856 390 D CB 0.592 41.407 40.800 0.026 0.000 0.922 390 D HN 0.355 nan 8.370 nan 0.000 0.518 391 K N 0.790 121.202 120.400 0.019 0.000 2.098 391 K HA 0.313 4.633 4.320 -0.000 0.000 0.258 391 K C 0.302 176.922 176.600 0.033 0.000 0.973 391 K CA -0.525 55.761 56.287 -0.002 0.000 0.898 391 K CB 2.023 34.500 32.500 -0.038 0.000 1.057 391 K HN -0.291 nan 8.250 nan 0.000 0.447 392 K N 1.101 121.504 120.400 0.005 0.000 2.090 392 K HA 0.188 4.508 4.320 -0.000 0.000 0.249 392 K C -0.384 176.229 176.600 0.022 0.000 0.995 392 K CA -0.456 55.844 56.287 0.021 0.000 0.914 392 K CB 0.669 33.159 32.500 -0.016 0.000 1.057 392 K HN 0.874 nan 8.250 nan 0.000 0.462 393 D N -1.656 118.777 120.400 0.056 0.000 3.582 393 D HA -0.198 4.442 4.640 -0.000 0.000 0.258 393 D C -0.123 176.033 176.300 -0.240 0.000 1.930 393 D CA 1.654 55.632 54.000 -0.038 0.000 1.144 393 D CB -0.611 40.152 40.800 -0.062 0.000 0.858 393 D HN 1.052 nan 8.370 nan 0.000 1.045 394 c N -3.939 114.417 118.600 -0.407 0.000 3.249 394 c HA 0.795 5.365 4.570 -0.000 0.000 0.350 394 c C -1.015 172.754 174.090 -0.535 0.000 1.431 394 c CA -0.195 55.694 56.329 -0.732 0.000 1.209 394 c CB 1.501 43.047 42.510 -1.608 0.000 1.546 394 c HN 0.675 nan 8.230 nan 0.000 0.450 395 T N 1.319 115.534 114.554 -0.565 0.000 2.824 395 T HA 0.609 4.959 4.350 -0.000 0.000 0.282 395 T C -1.001 173.447 174.700 -0.419 0.000 0.993 395 T CA 0.095 62.010 62.100 -0.307 0.000 0.967 395 T CB 0.755 69.579 68.868 -0.073 0.000 0.960 395 T HN 0.470 nan 8.240 nan 0.000 0.441 396 F N 2.474 122.306 119.950 -0.196 0.000 2.427 396 F HA 0.312 4.839 4.527 -0.000 0.000 0.352 396 F C 1.124 176.748 175.800 -0.294 0.000 1.100 396 F CA -0.780 57.089 58.000 -0.219 0.000 1.191 396 F CB 0.626 39.506 39.000 -0.199 0.000 1.128 396 F HN 0.430 nan 8.300 nan 0.000 0.533 397 I N 0.939 121.382 120.570 -0.213 0.000 3.462 397 I HA 0.008 4.178 4.170 -0.000 0.000 0.290 397 I C 1.066 177.018 176.117 -0.275 0.000 1.236 397 I CA 0.646 61.633 61.300 -0.521 0.000 1.418 397 I CB -0.535 37.152 38.000 -0.522 0.000 1.102 397 I HN 0.631 nan 8.210 nan 0.000 0.441 398 T N -0.921 113.529 114.554 -0.173 0.000 2.865 398 T HA 0.764 5.114 4.350 -0.000 0.000 0.294 398 T C -0.586 173.719 174.700 -0.658 0.000 1.119 398 T CA -0.785 61.161 62.100 -0.257 0.000 1.007 398 T CB 3.024 71.828 68.868 -0.107 0.000 1.225 398 T HN 0.180 nan 8.240 nan 0.000 0.515 399 K N -0.860 118.877 120.400 -1.105 0.000 2.672 399 K HA 0.708 5.028 4.320 -0.000 0.000 0.295 399 K C -0.529 175.327 176.600 -1.240 0.000 1.042 399 K CA -0.767 54.681 56.287 -1.399 0.000 0.869 399 K CB 1.105 33.204 32.500 -0.668 0.000 1.541 399 K HN 1.794 nan 8.250 nan 0.000 0.396 400 G N -0.109 108.115 108.800 -0.960 0.000 2.357 400 G HA2 0.064 4.024 3.960 -0.000 0.000 0.643 400 G HA3 0.064 4.024 3.960 -0.000 0.000 0.643 400 G C -0.606 173.742 174.900 -0.919 0.000 1.358 400 G CA -0.368 44.271 45.100 -0.767 0.000 0.986 400 G HN 1.064 nan 8.290 nan 0.000 0.620 401 T N -0.324 113.804 114.554 -0.711 0.000 4.058 401 T HA 0.562 4.912 4.350 -0.000 0.000 0.252 401 T C 0.373 174.905 174.700 -0.281 0.000 1.264 401 T CA 0.606 62.157 62.100 -0.916 0.000 1.094 401 T CB -0.904 67.671 68.868 -0.490 0.000 1.316 401 T HN 1.470 nan 8.240 nan 0.000 0.872 402 W N -0.359 120.826 121.300 -0.192 0.000 2.874 402 W HA 0.677 5.337 4.660 -0.000 0.000 0.403 402 W C -1.460 175.062 176.519 0.005 0.000 1.144 402 W CA -1.023 56.326 57.345 0.006 0.000 1.175 402 W CB 0.736 30.187 29.460 -0.015 0.000 1.483 402 W HN 0.143 nan 8.180 nan 0.000 0.591 403 E N 0.658 121.133 120.200 0.458 0.000 2.367 403 E HA 0.437 4.787 4.350 -0.000 0.000 0.273 403 E C -1.339 175.444 176.600 0.305 0.000 0.903 403 E CA -1.074 55.383 56.400 0.095 0.000 0.764 403 E CB 3.410 33.178 29.700 0.114 0.000 1.252 403 E HN 0.169 nan 8.360 nan 0.000 0.446 404 V N 3.485 123.424 119.914 0.042 0.000 2.406 404 V HA 0.100 4.220 4.120 -0.000 0.000 0.272 404 V C 0.963 177.165 176.094 0.179 0.000 1.043 404 V CA 0.157 62.566 62.300 0.180 0.000 0.915 404 V CB 0.699 32.518 31.823 -0.006 0.000 0.988 404 V HN 0.670 nan 8.190 nan 0.000 0.466 405 I N 3.324 124.029 120.570 0.224 0.000 2.480 405 I HA 0.274 4.444 4.170 -0.000 0.000 0.251 405 I C 1.223 177.468 176.117 0.214 0.000 1.124 405 I CA 1.152 62.582 61.300 0.217 0.000 1.444 405 I CB -0.012 38.061 38.000 0.121 0.000 1.098 405 I HN 0.758 nan 8.210 nan 0.000 0.428 406 G N 0.410 109.334 108.800 0.207 0.000 2.733 406 G HA2 0.558 4.518 3.960 -0.000 0.000 0.297 406 G HA3 0.558 4.518 3.960 -0.000 0.000 0.297 406 G C -1.205 173.795 174.900 0.167 0.000 1.452 406 G CA -0.582 44.632 45.100 0.190 0.000 0.940 406 G HN -0.061 nan 8.290 nan 0.000 0.547 407 I N 1.934 122.532 120.570 0.046 0.000 2.352 407 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 407 I C 0.607 176.671 176.117 -0.087 0.000 1.036 407 I CA -0.517 60.710 61.300 -0.122 0.000 1.336 407 I CB 1.662 39.345 38.000 -0.527 0.000 1.407 407 I HN 0.496 nan 8.210 nan 0.000 0.497 408 E N 4.858 125.076 120.200 0.030 0.000 2.330 408 E HA 0.351 4.701 4.350 -0.000 0.000 0.200 408 E C 0.171 176.757 176.600 -0.023 0.000 0.922 408 E CA 0.219 56.688 56.400 0.116 0.000 0.935 408 E CB 0.933 30.779 29.700 0.242 0.000 0.917 408 E HN 0.682 nan 8.360 nan 0.000 0.491 409 A N 0.658 123.356 122.820 -0.203 0.000 2.612 409 A HA 0.624 4.944 4.320 -0.000 0.000 0.293 409 A C -2.010 175.508 177.584 -0.109 0.000 1.075 409 A CA -0.627 51.192 52.037 -0.364 0.000 0.680 409 A CB 1.393 19.566 19.000 -1.379 0.000 1.279 409 A HN 0.034 nan 8.150 nan 0.000 0.411 410 L N 1.296 122.494 121.223 -0.040 0.000 2.476 410 L HA 0.792 5.132 4.340 -0.000 0.000 0.269 410 L C 0.051 176.963 176.870 0.070 0.000 0.965 410 L CA 0.551 55.406 54.840 0.026 0.000 0.845 410 L CB 1.902 44.005 42.059 0.073 0.000 1.259 410 L HN 1.279 nan 8.230 nan 0.000 0.403 411 T N -0.185 114.424 114.554 0.092 0.000 2.883 411 T HA 0.467 4.817 4.350 -0.000 0.000 0.284 411 T C 0.977 175.720 174.700 0.073 0.000 1.041 411 T CA 0.104 62.266 62.100 0.103 0.000 1.007 411 T CB 1.178 70.135 68.868 0.149 0.000 1.220 411 T HN 0.639 nan 8.240 nan 0.000 0.552 412 S N -0.443 115.298 115.700 0.067 0.000 2.447 412 S HA -0.044 4.426 4.470 -0.000 0.000 0.233 412 S C 0.970 175.551 174.600 -0.032 0.000 1.006 412 S CA 0.875 59.100 58.200 0.041 0.000 0.957 412 S CB -0.472 62.755 63.200 0.045 0.000 0.773 412 S HN 0.706 nan 8.310 nan 0.000 0.507 413 D N -0.505 119.859 120.400 -0.059 0.000 2.324 413 D HA 0.273 4.913 4.640 -0.000 0.000 0.212 413 D C -0.555 175.434 176.300 -0.518 0.000 0.984 413 D CA 0.690 54.538 54.000 -0.252 0.000 0.885 413 D CB 0.259 40.944 40.800 -0.192 0.000 0.996 413 D HN 0.394 nan 8.370 nan 0.000 0.505 414 Y N -0.354 119.876 120.300 -0.117 0.000 2.524 414 Y HA 0.473 5.023 4.550 -0.000 0.000 0.347 414 Y C -0.686 175.012 175.900 -0.337 0.000 1.005 414 Y CA -0.962 56.964 58.100 -0.291 0.000 1.025 414 Y CB 2.211 40.358 38.460 -0.523 0.000 1.275 414 Y HN -0.294 nan 8.280 nan 0.000 0.460 415 L N 3.310 124.401 121.223 -0.220 0.000 2.333 415 L HA 0.612 4.952 4.340 -0.000 0.000 0.280 415 L C -1.807 174.916 176.870 -0.245 0.000 1.004 415 L CA -0.613 54.085 54.840 -0.238 0.000 0.820 415 L CB 0.752 42.599 42.059 -0.353 0.000 1.247 415 L HN 0.581 nan 8.230 nan 0.000 0.416 416 Y N 4.731 124.960 120.300 -0.119 0.000 2.342 416 Y HA 0.560 5.110 4.550 -0.000 0.000 0.334 416 Y C -0.414 175.488 175.900 0.003 0.000 1.067 416 Y CA -0.489 57.538 58.100 -0.121 0.000 1.128 416 Y CB 1.207 39.506 38.460 -0.269 0.000 1.200 416 Y HN 0.519 nan 8.280 nan 0.000 0.464 417 Y N 0.443 120.804 120.300 0.102 0.000 2.597 417 Y HA 0.749 5.299 4.550 -0.000 0.000 0.340 417 Y C -1.831 174.146 175.900 0.127 0.000 1.097 417 Y CA -1.796 56.355 58.100 0.084 0.000 1.037 417 Y CB 1.050 39.545 38.460 0.057 0.000 1.305 417 Y HN 0.319 nan 8.280 nan 0.000 0.463 418 I N 3.380 124.093 120.570 0.237 0.000 2.392 418 I HA 0.572 4.742 4.170 -0.000 0.000 0.295 418 I C 0.077 176.382 176.117 0.313 0.000 0.985 418 I CA -0.118 61.273 61.300 0.152 0.000 1.221 418 I CB 1.359 39.411 38.000 0.087 0.000 1.366 418 I HN 0.886 nan 8.210 nan 0.000 0.467 419 S N 4.340 120.189 115.700 0.248 0.000 2.685 419 S HA 0.483 4.953 4.470 -0.000 0.000 0.282 419 S C -0.432 174.203 174.600 0.058 0.000 1.159 419 S CA -0.789 57.537 58.200 0.210 0.000 0.833 419 S CB 1.940 65.247 63.200 0.179 0.000 1.151 419 S HN 0.583 nan 8.310 nan 0.000 0.485 420 N N -0.239 118.482 118.700 0.036 0.000 2.546 420 N HA 0.181 4.921 4.740 -0.000 0.000 0.286 420 N C 0.358 175.803 175.510 -0.107 0.000 1.259 420 N CA -0.450 52.585 53.050 -0.027 0.000 0.939 420 N CB 0.435 38.909 38.487 -0.021 0.000 1.243 420 N HN 0.810 nan 8.380 nan 0.000 0.511 421 E N -0.258 119.680 120.200 -0.436 0.000 2.158 421 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 421 E C -0.420 176.012 176.600 -0.280 0.000 0.982 421 E CA 0.100 56.007 56.400 -0.823 0.000 0.823 421 E CB 0.012 28.562 29.700 -1.917 0.000 0.766 421 E HN 0.434 nan 8.360 nan 0.000 0.468 422 Y N 2.253 122.445 120.300 -0.181 0.000 2.632 422 Y HA -0.079 4.471 4.550 -0.000 0.000 0.329 422 Y C 0.459 176.325 175.900 -0.057 0.000 1.174 422 Y CA 0.368 58.428 58.100 -0.067 0.000 1.469 422 Y CB 0.297 38.745 38.460 -0.019 0.000 1.242 422 Y HN 0.007 nan 8.280 nan 0.000 0.540 423 K N 3.856 123.896 120.400 -0.601 0.000 3.274 423 K HA -0.240 4.080 4.320 -0.000 0.000 0.300 423 K C 0.902 177.403 176.600 -0.164 0.000 1.230 423 K CA 0.979 56.983 56.287 -0.472 0.000 0.884 423 K CB -1.809 30.332 32.500 -0.598 0.000 1.242 423 K HN 1.364 nan 8.250 nan 0.000 0.467 424 G N 0.534 109.269 108.800 -0.108 0.000 2.168 424 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 424 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 424 G C 0.116 175.004 174.900 -0.020 0.000 0.997 424 G CA 0.921 46.015 45.100 -0.009 0.000 0.708 424 G HN 0.337 nan 8.290 nan 0.000 0.520 425 M N 0.304 119.823 119.600 -0.134 0.000 2.077 425 M HA 0.292 4.772 4.480 -0.000 0.000 0.348 425 M C -1.299 174.779 176.300 -0.370 0.000 1.252 425 M CA -1.980 53.088 55.300 -0.387 0.000 1.096 425 M CB 1.654 34.057 32.600 -0.328 0.000 1.568 425 M HN -0.156 nan 8.290 nan 0.000 0.456 426 P HA -0.049 nan 4.420 nan 0.000 0.225 426 P C 1.124 178.273 177.300 -0.251 0.000 1.148 426 P CA 0.886 63.822 63.100 -0.275 0.000 0.779 426 P CB 0.210 31.749 31.700 -0.268 0.000 0.780 427 G N -1.135 107.448 108.800 -0.360 0.000 3.088 427 G HA2 0.262 4.222 3.960 -0.000 0.000 0.217 427 G HA3 0.262 4.222 3.960 -0.000 0.000 0.217 427 G C 0.654 175.546 174.900 -0.013 0.000 1.159 427 G CA 0.088 45.098 45.100 -0.149 0.000 0.760 427 G HN 0.377 nan 8.290 nan 0.000 0.550 428 G N -0.184 108.558 108.800 -0.096 0.000 2.434 428 G HA2 0.627 4.587 3.960 -0.000 0.000 0.330 428 G HA3 0.627 4.587 3.960 -0.000 0.000 0.330 428 G C -0.811 173.966 174.900 -0.206 0.000 1.155 428 G CA -0.735 44.333 45.100 -0.052 0.000 0.917 428 G HN 0.056 nan 8.290 nan 0.000 0.493 429 R N 0.978 121.305 120.500 -0.288 0.000 2.575 429 R HA 0.465 4.805 4.340 -0.000 0.000 0.293 429 R C -1.092 175.138 176.300 -0.117 0.000 0.983 429 R CA -0.798 55.103 56.100 -0.331 0.000 0.887 429 R CB 2.057 31.910 30.300 -0.745 0.000 1.184 429 R HN 0.610 nan 8.270 nan 0.000 0.445 430 N N 1.512 120.147 118.700 -0.107 0.000 2.329 430 N HA 0.278 5.018 4.740 -0.000 0.000 0.282 430 N C -1.319 173.974 175.510 -0.362 0.000 1.198 430 N CA -0.826 52.042 53.050 -0.304 0.000 0.790 430 N CB 2.685 40.862 38.487 -0.518 0.000 1.579 430 N HN 0.200 nan 8.380 nan 0.000 0.475 431 L N 2.349 123.218 121.223 -0.590 0.000 2.290 431 L HA 0.428 4.768 4.340 -0.000 0.000 0.284 431 L C -1.350 175.063 176.870 -0.761 0.000 1.078 431 L CA 0.117 54.645 54.840 -0.519 0.000 0.815 431 L CB -0.387 41.371 42.059 -0.502 0.000 1.162 431 L HN 0.416 nan 8.230 nan 0.000 0.435 432 Y N 3.778 123.703 120.300 -0.626 0.000 2.562 432 Y HA 0.604 5.154 4.550 -0.000 0.000 0.343 432 Y C -0.302 175.259 175.900 -0.564 0.000 1.025 432 Y CA -0.805 56.894 58.100 -0.668 0.000 1.082 432 Y CB 1.707 39.578 38.460 -0.982 0.000 1.264 432 Y HN 0.553 nan 8.280 nan 0.000 0.478 433 K N 2.105 122.363 120.400 -0.236 0.000 2.375 433 K HA 0.779 5.099 4.320 -0.000 0.000 0.249 433 K C -1.833 174.742 176.600 -0.042 0.000 0.942 433 K CA -0.800 55.299 56.287 -0.313 0.000 0.806 433 K CB 2.843 34.926 32.500 -0.695 0.000 1.227 433 K HN 0.760 nan 8.250 nan 0.000 0.430 434 I N 1.952 122.558 120.570 0.060 0.000 2.447 434 I HA 0.136 4.306 4.170 -0.000 0.000 0.287 434 I C -0.724 175.488 176.117 0.158 0.000 1.023 434 I CA -0.711 60.690 61.300 0.168 0.000 1.083 434 I CB 1.953 40.065 38.000 0.187 0.000 1.245 434 I HN 0.858 nan 8.210 nan 0.000 0.434 435 Q N 6.624 126.503 119.800 0.132 0.000 2.244 435 Q HA 0.118 4.458 4.340 -0.000 0.000 0.276 435 Q C 0.201 176.128 176.000 -0.122 0.000 1.122 435 Q CA 0.009 55.699 55.803 -0.189 0.000 0.920 435 Q CB 0.928 29.601 28.738 -0.108 0.000 1.186 435 Q HN 0.852 nan 8.270 nan 0.000 0.393 436 L N 2.704 123.801 121.223 -0.210 0.000 2.362 436 L HA -0.145 4.195 4.340 -0.000 0.000 0.219 436 L C 2.056 178.832 176.870 -0.156 0.000 1.134 436 L CA 1.166 55.969 54.840 -0.061 0.000 0.807 436 L CB -0.277 41.723 42.059 -0.098 0.000 0.927 436 L HN 0.684 nan 8.230 nan 0.000 0.447 437 S N -2.784 112.778 115.700 -0.230 0.000 2.528 437 S HA -0.006 4.464 4.470 -0.000 0.000 0.219 437 S C 0.511 174.929 174.600 -0.302 0.000 0.985 437 S CA -0.125 57.922 58.200 -0.255 0.000 0.914 437 S CB 0.164 63.249 63.200 -0.192 0.000 0.776 437 S HN 0.295 nan 8.310 nan 0.000 0.526 438 D N -0.074 120.170 120.400 -0.259 0.000 2.323 438 D HA 0.269 4.909 4.640 -0.000 0.000 0.242 438 D C -0.403 175.847 176.300 -0.085 0.000 1.347 438 D CA -0.639 53.225 54.000 -0.227 0.000 0.988 438 D CB 0.424 41.148 40.800 -0.125 0.000 1.314 438 D HN -0.043 nan 8.370 nan 0.000 0.564 439 Y N 1.013 121.281 120.300 -0.054 0.000 2.403 439 Y HA -0.118 4.432 4.550 -0.000 0.000 0.291 439 Y C 2.563 178.459 175.900 -0.008 0.000 1.143 439 Y CA 1.472 59.551 58.100 -0.035 0.000 1.257 439 Y CB -0.960 37.477 38.460 -0.039 0.000 0.984 439 Y HN 0.429 nan 8.280 nan 0.000 0.550 440 T N -2.551 112.072 114.554 0.115 0.000 3.113 440 T HA -0.034 4.316 4.350 -0.000 0.000 0.263 440 T C 0.629 175.374 174.700 0.076 0.000 1.143 440 T CA 0.286 62.433 62.100 0.079 0.000 1.090 440 T CB -0.154 68.736 68.868 0.037 0.000 0.922 440 T HN -0.064 nan 8.240 nan 0.000 0.521 441 K N 2.558 123.005 120.400 0.080 0.000 2.229 441 K HA 0.492 4.812 4.320 -0.000 0.000 0.247 441 K C -0.915 175.754 176.600 0.115 0.000 1.117 441 K CA -0.332 56.002 56.287 0.079 0.000 1.036 441 K CB 0.971 33.505 32.500 0.057 0.000 1.654 441 K HN 0.194 nan 8.250 nan 0.000 0.405 442 V N 1.384 121.368 119.914 0.115 0.000 2.483 442 V HA 0.396 4.516 4.120 -0.000 0.000 0.295 442 V C 0.371 176.528 176.094 0.105 0.000 1.035 442 V CA -0.660 61.721 62.300 0.136 0.000 0.896 442 V CB 1.800 33.722 31.823 0.164 0.000 0.986 442 V HN 0.658 nan 8.190 nan 0.000 0.447 443 T N 3.482 118.078 114.554 0.071 0.000 2.886 443 T HA 0.307 4.657 4.350 -0.000 0.000 0.292 443 T C -0.681 173.979 174.700 -0.067 0.000 1.012 443 T CA -0.455 61.648 62.100 0.004 0.000 0.982 443 T CB 1.188 70.029 68.868 -0.045 0.000 1.018 443 T HN 0.785 nan 8.240 nan 0.000 0.451 444 C N 6.604 125.811 119.300 -0.154 0.000 2.373 444 C HA 0.449 4.909 4.460 -0.000 0.000 0.354 444 C C 1.788 176.480 174.990 -0.497 0.000 1.249 444 C CA -0.667 58.031 59.018 -0.533 0.000 1.784 444 C CB -1.800 25.568 27.740 -0.620 0.000 2.408 444 C HN 0.974 nan 8.230 nan 0.000 0.542 445 L N 4.487 125.369 121.223 -0.568 0.000 2.492 445 L HA 0.059 4.399 4.340 -0.000 0.000 0.223 445 L C 2.027 178.568 176.870 -0.548 0.000 1.132 445 L CA 0.961 55.530 54.840 -0.451 0.000 0.850 445 L CB -0.309 41.511 42.059 -0.399 0.000 0.966 445 L HN 0.891 nan 8.230 nan 0.000 0.454 446 S N -3.551 111.698 115.700 -0.752 0.000 2.631 446 S HA -0.012 4.458 4.470 -0.000 0.000 0.246 446 S C 1.810 175.939 174.600 -0.785 0.000 1.068 446 S CA -0.097 57.549 58.200 -0.922 0.000 0.995 446 S CB -0.286 61.973 63.200 -1.570 0.000 0.944 446 S HN 0.274 nan 8.310 nan 0.000 0.529 447 C N 2.732 121.552 119.300 -0.801 0.000 2.375 447 C HA -0.062 4.398 4.460 -0.000 0.000 0.274 447 C C 2.289 176.959 174.990 -0.533 0.000 1.190 447 C CA 1.304 59.786 59.018 -0.893 0.000 1.775 447 C CB -0.851 26.140 27.740 -1.249 0.000 2.067 447 C HN 0.608 nan 8.230 nan 0.000 0.463 448 E N -0.102 119.880 120.200 -0.363 0.000 2.498 448 E HA 0.196 4.546 4.350 -0.000 0.000 0.203 448 E C 1.877 178.414 176.600 -0.104 0.000 1.013 448 E CA -0.083 56.210 56.400 -0.178 0.000 0.927 448 E CB -0.206 29.414 29.700 -0.134 0.000 1.012 448 E HN 0.639 nan 8.360 nan 0.000 0.482 449 L N 0.638 121.791 121.223 -0.116 0.000 2.012 449 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 449 L C 0.738 177.612 176.870 0.007 0.000 1.073 449 L CA 1.166 55.985 54.840 -0.036 0.000 0.748 449 L CB -0.094 41.963 42.059 -0.003 0.000 0.891 449 L HN 0.045 nan 8.230 nan 0.000 0.431 450 N N -1.366 117.353 118.700 0.031 0.000 2.824 450 N HA 0.118 4.858 4.740 -0.000 0.000 0.224 450 N C -2.104 173.427 175.510 0.036 0.000 1.418 450 N CA -0.546 52.521 53.050 0.028 0.000 0.743 450 N CB 1.409 39.910 38.487 0.023 0.000 1.395 450 N HN -0.070 nan 8.380 nan 0.000 0.548 451 P HA -0.148 nan 4.420 nan 0.000 0.218 451 P C 1.004 178.342 177.300 0.065 0.000 1.148 451 P CA 1.323 64.463 63.100 0.065 0.000 0.822 451 P CB 0.744 32.489 31.700 0.075 0.000 0.784 452 E N -0.310 119.911 120.200 0.036 0.000 2.051 452 E HA -0.120 4.230 4.350 -0.000 0.000 0.189 452 E C 2.302 178.905 176.600 0.005 0.000 0.979 452 E CA 0.808 57.222 56.400 0.023 0.000 0.803 452 E CB -0.320 29.386 29.700 0.010 0.000 0.761 452 E HN 0.261 nan 8.360 nan 0.000 0.451 453 R N -0.235 120.256 120.500 -0.015 0.000 2.100 453 R HA 0.024 4.364 4.340 -0.000 0.000 0.220 453 R C 0.124 176.379 176.300 -0.074 0.000 1.091 453 R CA 0.703 56.771 56.100 -0.053 0.000 0.986 453 R CB 0.312 30.570 30.300 -0.071 0.000 0.888 453 R HN 0.040 nan 8.270 nan 0.000 0.444 454 c N 0.549 119.119 118.600 -0.051 0.000 2.364 454 c HA 0.428 4.998 4.570 -0.000 0.000 0.324 454 c C 0.017 174.116 174.090 0.016 0.000 1.234 454 c CA -0.700 55.551 56.329 -0.129 0.000 1.417 454 c CB 1.651 44.018 42.510 -0.238 0.000 2.101 454 c HN 0.546 nan 8.230 nan 0.000 0.466 455 Q N 0.220 120.019 119.800 -0.001 0.000 2.081 455 Q HA 0.172 4.512 4.340 -0.000 0.000 0.220 455 Q C -0.976 175.114 176.000 0.151 0.000 0.775 455 Q CA 0.114 55.997 55.803 0.135 0.000 0.983 455 Q CB 1.318 30.134 28.738 0.131 0.000 1.188 455 Q HN 0.792 nan 8.270 nan 0.000 0.458 456 Y N 0.592 120.817 120.300 -0.125 0.000 2.402 456 Y HA 0.393 4.943 4.550 -0.000 0.000 0.325 456 Y C -1.599 174.178 175.900 -0.205 0.000 1.009 456 Y CA -1.048 56.997 58.100 -0.092 0.000 1.278 456 Y CB 0.707 39.110 38.460 -0.095 0.000 1.105 456 Y HN -0.095 nan 8.280 nan 0.000 0.476 457 Y N 2.297 122.524 120.300 -0.121 0.000 2.446 457 Y HA 0.631 5.181 4.550 -0.000 0.000 0.338 457 Y C 0.250 176.100 175.900 -0.083 0.000 1.055 457 Y CA -0.708 57.338 58.100 -0.089 0.000 1.101 457 Y CB 2.153 40.517 38.460 -0.160 0.000 1.221 457 Y HN 0.522 nan 8.280 nan 0.000 0.460 458 S N 1.002 116.784 115.700 0.136 0.000 2.677 458 S HA 0.887 5.357 4.470 -0.000 0.000 0.304 458 S C -1.337 173.325 174.600 0.104 0.000 1.108 458 S CA -0.760 57.508 58.200 0.113 0.000 0.944 458 S CB 1.914 65.197 63.200 0.138 0.000 1.127 458 S HN 0.628 nan 8.310 nan 0.000 0.511 459 V N -0.018 119.953 119.914 0.094 0.000 3.130 459 V HA 0.885 5.005 4.120 -0.000 0.000 0.310 459 V C -1.271 174.887 176.094 0.106 0.000 1.158 459 V CA -0.338 61.985 62.300 0.038 0.000 1.029 459 V CB 2.300 34.059 31.823 -0.108 0.000 1.057 459 V HN 1.153 nan 8.190 nan 0.000 0.436 460 S N 3.526 119.270 115.700 0.074 0.000 2.750 460 S HA 0.668 5.138 4.470 -0.000 0.000 0.276 460 S C -1.359 173.343 174.600 0.170 0.000 1.165 460 S CA -0.369 57.980 58.200 0.249 0.000 1.047 460 S CB 0.539 63.967 63.200 0.379 0.000 1.056 460 S HN 0.521 nan 8.310 nan 0.000 0.481 461 F N 3.026 123.011 119.950 0.057 0.000 2.379 461 F HA 0.476 5.003 4.527 -0.000 0.000 0.332 461 F C 1.342 176.625 175.800 -0.862 0.000 1.096 461 F CA -0.290 57.546 58.000 -0.273 0.000 1.105 461 F CB 1.522 40.390 39.000 -0.219 0.000 1.189 461 F HN 0.597 nan 8.300 nan 0.000 0.515 462 S N 2.244 117.217 115.700 -1.212 0.000 2.608 462 S HA 0.307 4.777 4.470 -0.000 0.000 0.261 462 S C -0.376 174.050 174.600 -0.291 0.000 1.314 462 S CA -1.175 56.317 58.200 -1.180 0.000 0.992 462 S CB 0.474 63.048 63.200 -1.044 0.000 0.935 462 S HN 0.525 nan 8.310 nan 0.000 0.564 463 K N 0.450 120.814 120.400 -0.059 0.000 2.380 463 K HA 0.086 4.406 4.320 -0.000 0.000 0.267 463 K C 0.210 176.823 176.600 0.022 0.000 0.990 463 K CA 0.134 56.443 56.287 0.037 0.000 0.946 463 K CB -0.126 32.434 32.500 0.101 0.000 0.937 463 K HN 0.867 nan 8.250 nan 0.000 0.491 464 E N -0.467 119.756 120.200 0.038 0.000 3.426 464 E HA -0.320 4.030 4.350 -0.000 0.000 0.291 464 E C -0.035 176.561 176.600 -0.007 0.000 0.898 464 E CA 0.639 57.059 56.400 0.032 0.000 0.970 464 E CB -1.766 27.966 29.700 0.052 0.000 1.489 464 E HN 0.880 nan 8.360 nan 0.000 0.461 465 A N -0.076 122.720 122.820 -0.040 0.000 2.640 465 A HA -0.367 3.953 4.320 -0.000 0.000 0.300 465 A C 1.220 178.787 177.584 -0.028 0.000 1.499 465 A CA 2.095 54.118 52.037 -0.024 0.000 0.759 465 A CB -1.589 17.267 19.000 -0.239 0.000 1.048 465 A HN 0.445 nan 8.150 nan 0.000 0.450 466 K N -1.655 118.671 120.400 -0.123 0.000 2.155 466 K HA 0.080 4.400 4.320 -0.000 0.000 0.203 466 K C 0.279 176.504 176.600 -0.625 0.000 1.052 466 K CA 1.556 57.635 56.287 -0.347 0.000 0.948 466 K CB -0.009 32.276 32.500 -0.358 0.000 0.728 466 K HN 0.721 nan 8.250 nan 0.000 0.448 467 Y N -1.528 118.700 120.300 -0.120 0.000 2.665 467 Y HA 0.361 4.911 4.550 -0.000 0.000 0.336 467 Y C -1.042 174.715 175.900 -0.239 0.000 1.085 467 Y CA -1.340 56.654 58.100 -0.176 0.000 1.096 467 Y CB 1.613 40.028 38.460 -0.074 0.000 1.301 467 Y HN -0.025 nan 8.280 nan 0.000 0.493 468 Y N -1.410 118.868 120.300 -0.037 0.000 2.521 468 Y HA 0.422 4.972 4.550 -0.000 0.000 0.332 468 Y C -1.423 174.495 175.900 0.030 0.000 1.121 468 Y CA -1.492 56.432 58.100 -0.292 0.000 1.037 468 Y CB 1.316 39.053 38.460 -1.206 0.000 1.330 468 Y HN 0.590 nan 8.280 nan 0.000 0.452 469 Q N 3.968 123.935 119.800 0.279 0.000 2.303 469 Q HA 0.508 4.848 4.340 -0.000 0.000 0.257 469 Q C -1.585 174.536 176.000 0.203 0.000 0.941 469 Q CA -0.613 55.312 55.803 0.204 0.000 0.931 469 Q CB 1.085 29.898 28.738 0.125 0.000 1.215 469 Q HN 0.952 nan 8.270 nan 0.000 0.437 470 L N 4.160 125.534 121.223 0.251 0.000 2.312 470 L HA 0.482 4.822 4.340 -0.000 0.000 0.281 470 L C 0.043 176.989 176.870 0.127 0.000 1.070 470 L CA -0.368 54.590 54.840 0.197 0.000 0.805 470 L CB 1.214 43.404 42.059 0.217 0.000 1.174 470 L HN 0.545 nan 8.230 nan 0.000 0.434 471 R N 3.356 123.894 120.500 0.064 0.000 2.388 471 R HA 0.395 4.734 4.340 -0.000 0.000 0.314 471 R C -1.085 175.046 176.300 -0.282 0.000 0.959 471 R CA -0.504 55.478 56.100 -0.195 0.000 0.851 471 R CB 1.318 31.565 30.300 -0.089 0.000 1.168 471 R HN 0.723 nan 8.270 nan 0.000 0.472 472 c N 3.408 121.701 118.600 -0.510 0.000 2.330 472 c HA 0.507 5.077 4.570 -0.000 0.000 0.344 472 c C 0.612 174.441 174.090 -0.435 0.000 1.273 472 c CA -0.315 55.616 56.329 -0.663 0.000 1.879 472 c CB 1.104 43.149 42.510 -0.776 0.000 2.376 472 c HN 0.998 nan 8.230 nan 0.000 0.534 473 S N 2.924 118.461 115.700 -0.272 0.000 2.559 473 S HA 0.560 5.030 4.470 -0.000 0.000 0.226 473 S C 0.543 175.080 174.600 -0.106 0.000 1.000 473 S CA 0.434 58.540 58.200 -0.157 0.000 0.948 473 S CB 0.326 63.457 63.200 -0.116 0.000 0.870 473 S HN 1.503 nan 8.310 nan 0.000 0.497 474 G N 1.928 110.651 108.800 -0.129 0.000 2.356 474 G HA2 0.172 4.132 3.960 -0.000 0.000 0.288 474 G HA3 0.172 4.132 3.960 -0.000 0.000 0.288 474 G C -2.996 171.876 174.900 -0.046 0.000 1.302 474 G CA -0.606 44.459 45.100 -0.058 0.000 0.887 474 G HN -0.172 nan 8.290 nan 0.000 0.521 475 P HA 0.166 nan 4.420 nan 0.000 0.242 475 P C 1.176 178.502 177.300 0.043 0.000 1.197 475 P CA 1.355 64.480 63.100 0.041 0.000 0.765 475 P CB 0.298 32.023 31.700 0.041 0.000 0.936 476 G N 0.208 108.965 108.800 -0.073 0.000 2.532 476 G HA2 0.442 4.402 3.960 -0.000 0.000 0.291 476 G HA3 0.442 4.402 3.960 -0.000 0.000 0.291 476 G C -0.345 174.296 174.900 -0.431 0.000 1.349 476 G CA -0.828 44.155 45.100 -0.196 0.000 1.038 476 G HN 0.027 nan 8.290 nan 0.000 0.518 477 L N 1.190 122.068 121.223 -0.575 0.000 2.514 477 L HA 0.110 4.450 4.340 -0.000 0.000 0.280 477 L C -1.833 174.830 176.870 -0.345 0.000 1.223 477 L CA -1.105 53.352 54.840 -0.638 0.000 0.864 477 L CB 0.352 42.149 42.059 -0.437 0.000 1.118 477 L HN 0.233 nan 8.230 nan 0.000 0.494 478 P HA 0.032 nan 4.420 nan 0.000 0.265 478 P C -0.810 176.374 177.300 -0.194 0.000 1.187 478 P CA 0.281 63.251 63.100 -0.216 0.000 0.766 478 P CB 0.495 32.155 31.700 -0.066 0.000 0.820 479 L N 4.017 125.021 121.223 -0.364 0.000 2.580 479 L HA 0.386 4.726 4.340 -0.000 0.000 0.266 479 L C -1.665 175.009 176.870 -0.326 0.000 0.955 479 L CA -0.707 54.007 54.840 -0.211 0.000 0.886 479 L CB 1.059 43.020 42.059 -0.163 0.000 1.263 479 L HN 0.329 nan 8.230 nan 0.000 0.406 480 Y N 2.324 122.570 120.300 -0.091 0.000 2.341 480 Y HA 0.640 5.190 4.550 -0.000 0.000 0.337 480 Y C 0.722 176.510 175.900 -0.186 0.000 1.014 480 Y CA -0.553 57.477 58.100 -0.117 0.000 1.111 480 Y CB 2.139 40.506 38.460 -0.154 0.000 1.194 480 Y HN 0.547 nan 8.280 nan 0.000 0.462 481 T N 0.766 115.318 114.554 -0.004 0.000 2.906 481 T HA 0.704 5.054 4.350 -0.000 0.000 0.295 481 T C -1.437 173.148 174.700 -0.191 0.000 1.061 481 T CA -0.864 61.159 62.100 -0.130 0.000 1.000 481 T CB 1.887 70.726 68.868 -0.049 0.000 1.103 481 T HN 0.396 nan 8.240 nan 0.000 0.486 482 L N 1.753 122.734 121.223 -0.403 0.000 2.331 482 L HA 0.667 5.007 4.340 -0.000 0.000 0.275 482 L C -0.673 175.801 176.870 -0.660 0.000 1.022 482 L CA -0.275 54.361 54.840 -0.340 0.000 0.812 482 L CB 1.135 43.051 42.059 -0.239 0.000 1.257 482 L HN 0.831 nan 8.230 nan 0.000 0.435 483 H N 0.986 119.848 119.070 -0.347 0.000 2.996 483 H HA 0.410 4.966 4.556 -0.000 0.000 0.368 483 H C -1.047 174.009 175.328 -0.453 0.000 1.185 483 H CA -0.756 54.986 56.048 -0.510 0.000 1.160 483 H CB 2.053 31.227 29.762 -0.980 0.000 1.820 483 H HN 0.568 nan 8.280 nan 0.000 0.547 484 S N 0.821 116.452 115.700 -0.114 0.000 2.462 484 S HA 0.209 4.679 4.470 -0.000 0.000 0.294 484 S C 0.768 175.303 174.600 -0.109 0.000 1.144 484 S CA -0.574 57.590 58.200 -0.060 0.000 1.088 484 S CB 1.742 64.967 63.200 0.043 0.000 1.009 484 S HN 0.557 nan 8.310 nan 0.000 0.484 485 S N 2.394 118.038 115.700 -0.093 0.000 2.402 485 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 485 S C 2.113 176.741 174.600 0.047 0.000 1.021 485 S CA 1.262 59.521 58.200 0.099 0.000 0.974 485 S CB -0.893 62.374 63.200 0.113 0.000 0.800 485 S HN 0.814 nan 8.310 nan 0.000 0.484 486 V N 1.747 121.644 119.914 -0.029 0.000 2.226 486 V HA -0.284 3.836 4.120 -0.000 0.000 0.254 486 V C 0.947 177.054 176.094 0.022 0.000 1.065 486 V CA 2.272 64.571 62.300 -0.002 0.000 1.039 486 V CB -0.968 30.840 31.823 -0.025 0.000 0.653 486 V HN 0.467 nan 8.190 nan 0.000 0.450 487 N N -1.093 117.615 118.700 0.012 0.000 2.299 487 N HA 0.212 4.952 4.740 -0.000 0.000 0.246 487 N C -0.730 174.789 175.510 0.014 0.000 1.254 487 N CA 0.172 53.230 53.050 0.013 0.000 0.879 487 N CB 0.428 38.922 38.487 0.011 0.000 1.214 487 N HN 0.468 nan 8.380 nan 0.000 0.510 488 D N 0.808 121.231 120.400 0.037 0.000 2.686 488 D HA -0.222 4.418 4.640 -0.000 0.000 0.235 488 D C -0.030 176.299 176.300 0.048 0.000 1.160 488 D CA 1.040 55.081 54.000 0.069 0.000 0.645 488 D CB -0.617 40.216 40.800 0.054 0.000 1.039 488 D HN 0.469 nan 8.370 nan 0.000 0.423 489 K N 0.428 120.841 120.400 0.023 0.000 2.270 489 K HA 0.401 4.721 4.320 -0.000 0.000 0.276 489 K C 0.733 177.343 176.600 0.016 0.000 1.023 489 K CA -0.177 56.119 56.287 0.014 0.000 0.955 489 K CB 0.814 33.310 32.500 -0.008 0.000 0.975 489 K HN 0.108 nan 8.250 nan 0.000 0.471 490 G N 4.126 112.927 108.800 0.002 0.000 2.360 490 G HA2 0.180 4.140 3.960 -0.000 0.000 0.279 490 G HA3 0.180 4.140 3.960 -0.000 0.000 0.279 490 G C 0.547 175.337 174.900 -0.184 0.000 1.189 490 G CA -0.448 44.568 45.100 -0.139 0.000 0.941 490 G HN 0.687 nan 8.290 nan 0.000 0.445 491 L N 1.963 123.020 121.223 -0.277 0.000 2.062 491 L HA 0.322 4.662 4.340 -0.000 0.000 0.202 491 L C 1.679 178.439 176.870 -0.183 0.000 1.079 491 L CA 0.880 55.606 54.840 -0.190 0.000 0.755 491 L CB -0.121 41.831 42.059 -0.179 0.000 0.913 491 L HN 0.738 nan 8.230 nan 0.000 0.445 492 R N -1.829 118.525 120.500 -0.243 0.000 2.728 492 R HA 0.469 4.809 4.340 -0.000 0.000 0.274 492 R C -1.669 174.487 176.300 -0.240 0.000 1.030 492 R CA -0.871 55.111 56.100 -0.196 0.000 0.876 492 R CB 1.449 31.658 30.300 -0.150 0.000 1.259 492 R HN -0.247 nan 8.270 nan 0.000 0.468 493 V N 2.579 122.381 119.914 -0.186 0.000 2.509 493 V HA 0.232 4.352 4.120 -0.000 0.000 0.284 493 V C 1.185 177.130 176.094 -0.247 0.000 1.047 493 V CA -0.512 61.677 62.300 -0.185 0.000 0.952 493 V CB 1.286 33.040 31.823 -0.115 0.000 0.988 493 V HN 0.659 nan 8.190 nan 0.000 0.469 494 L N 1.985 123.002 121.223 -0.344 0.000 2.269 494 L HA 0.378 4.718 4.340 -0.000 0.000 0.200 494 L C 0.646 177.326 176.870 -0.316 0.000 1.069 494 L CA 0.571 55.043 54.840 -0.614 0.000 0.804 494 L CB 0.205 41.464 42.059 -1.333 0.000 0.987 494 L HN 0.664 nan 8.230 nan 0.000 0.468 495 E N 0.097 120.228 120.200 -0.115 0.000 2.311 495 E HA 0.114 4.464 4.350 -0.000 0.000 0.281 495 E C -1.128 175.530 176.600 0.097 0.000 0.905 495 E CA -0.356 56.068 56.400 0.040 0.000 0.778 495 E CB 1.289 31.035 29.700 0.076 0.000 1.240 495 E HN 0.176 nan 8.360 nan 0.000 0.410 496 D N 3.015 123.442 120.400 0.045 0.000 2.433 496 D HA 0.111 4.751 4.640 -0.000 0.000 0.211 496 D C -0.226 176.080 176.300 0.010 0.000 1.114 496 D CA -0.213 53.797 54.000 0.015 0.000 0.837 496 D CB 0.010 40.802 40.800 -0.013 0.000 0.984 496 D HN 0.431 nan 8.370 nan 0.000 0.505 497 N N 0.407 119.131 118.700 0.041 0.000 2.725 497 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 497 N C 0.915 176.430 175.510 0.008 0.000 1.103 497 N CA 0.960 54.029 53.050 0.031 0.000 0.707 497 N CB -1.536 36.957 38.487 0.011 0.000 1.043 497 N HN 0.473 nan 8.380 nan 0.000 0.553 498 S N -1.548 114.158 115.700 0.011 0.000 2.447 498 S HA 0.033 4.503 4.470 -0.000 0.000 0.233 498 S C 2.079 176.693 174.600 0.024 0.000 1.006 498 S CA 0.858 59.062 58.200 0.007 0.000 0.957 498 S CB -0.040 63.163 63.200 0.006 0.000 0.773 498 S HN 0.511 nan 8.310 nan 0.000 0.507 499 A N 2.420 125.263 122.820 0.038 0.000 1.865 499 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 499 A C 2.253 179.880 177.584 0.072 0.000 1.191 499 A CA 1.458 53.527 52.037 0.053 0.000 0.623 499 A CB -0.932 18.103 19.000 0.059 0.000 0.826 499 A HN 0.508 nan 8.150 nan 0.000 0.444 500 L N -0.578 120.691 121.223 0.076 0.000 2.027 500 L HA -0.192 4.148 4.340 -0.000 0.000 0.206 500 L C 2.316 179.228 176.870 0.070 0.000 1.074 500 L CA 2.555 57.459 54.840 0.108 0.000 0.745 500 L CB -0.687 41.432 42.059 0.101 0.000 0.898 500 L HN 0.494 nan 8.230 nan 0.000 0.433 501 D N 0.170 120.580 120.400 0.017 0.000 2.126 501 D HA -0.263 4.377 4.640 -0.000 0.000 0.190 501 D C 2.120 178.432 176.300 0.020 0.000 1.001 501 D CA 1.794 55.789 54.000 -0.007 0.000 0.841 501 D CB 0.115 40.898 40.800 -0.028 0.000 0.949 501 D HN 0.186 nan 8.370 nan 0.000 0.446 502 K N -0.546 119.875 120.400 0.034 0.000 2.034 502 K HA -0.202 4.118 4.320 -0.000 0.000 0.214 502 K C 2.421 179.063 176.600 0.070 0.000 1.051 502 K CA 1.623 57.938 56.287 0.046 0.000 0.931 502 K CB -0.273 32.256 32.500 0.048 0.000 0.715 502 K HN 0.272 nan 8.250 nan 0.000 0.446 503 M N 0.610 120.276 119.600 0.109 0.000 2.106 503 M HA -0.202 4.278 4.480 -0.000 0.000 0.259 503 M C 2.029 178.405 176.300 0.127 0.000 1.068 503 M CA 1.579 56.987 55.300 0.181 0.000 1.100 503 M CB -0.336 32.454 32.600 0.316 0.000 1.351 503 M HN 0.165 nan 8.290 nan 0.000 0.404 504 L N -0.222 121.028 121.223 0.045 0.000 2.551 504 L HA -0.135 4.205 4.340 -0.000 0.000 0.228 504 L C 2.146 179.007 176.870 -0.016 0.000 1.153 504 L CA 0.274 55.087 54.840 -0.046 0.000 0.851 504 L CB -0.555 41.474 42.059 -0.049 0.000 0.959 504 L HN 0.350 nan 8.230 nan 0.000 0.451 505 Q N 0.131 119.940 119.800 0.016 0.000 2.500 505 Q HA -0.052 4.288 4.340 -0.000 0.000 0.213 505 Q C 0.631 176.648 176.000 0.029 0.000 0.974 505 Q CA 0.736 56.550 55.803 0.018 0.000 0.918 505 Q CB -0.132 28.621 28.738 0.025 0.000 0.980 505 Q HN 0.549 nan 8.270 nan 0.000 0.505 506 N N -0.091 118.633 118.700 0.040 0.000 2.275 506 N HA 0.088 4.828 4.740 -0.000 0.000 0.236 506 N C -0.567 174.976 175.510 0.055 0.000 1.154 506 N CA 0.055 53.140 53.050 0.058 0.000 0.866 506 N CB 1.829 40.367 38.487 0.086 0.000 1.093 506 N HN -0.040 nan 8.380 nan 0.000 0.515 507 V N 0.639 120.564 119.914 0.018 0.000 2.760 507 V HA 0.260 4.380 4.120 -0.000 0.000 0.309 507 V C -1.026 175.063 176.094 -0.008 0.000 1.077 507 V CA -0.751 61.556 62.300 0.011 0.000 0.910 507 V CB 2.240 34.035 31.823 -0.048 0.000 1.008 507 V HN 0.033 nan 8.190 nan 0.000 0.424 508 Q N 6.595 126.398 119.800 0.005 0.000 2.489 508 Q HA 0.289 4.629 4.340 -0.000 0.000 0.231 508 Q C -0.309 175.645 176.000 -0.076 0.000 1.273 508 Q CA -0.125 55.647 55.803 -0.053 0.000 0.898 508 Q CB 0.362 29.074 28.738 -0.042 0.000 1.545 508 Q HN 0.593 nan 8.270 nan 0.000 0.538 509 M N 3.748 123.292 119.600 -0.094 0.000 2.233 509 M HA 0.266 4.746 4.480 -0.000 0.000 0.350 509 M C -1.908 174.308 176.300 -0.140 0.000 1.176 509 M CA -2.406 52.825 55.300 -0.115 0.000 1.150 509 M CB -0.251 32.290 32.600 -0.098 0.000 1.530 509 M HN 0.307 nan 8.290 nan 0.000 0.459 510 P HA 0.268 nan 4.420 nan 0.000 0.276 510 P C -0.829 176.377 177.300 -0.157 0.000 1.261 510 P CA -0.388 62.612 63.100 -0.167 0.000 0.800 510 P CB 0.610 32.200 31.700 -0.184 0.000 1.066 511 S N -0.910 114.689 115.700 -0.168 0.000 2.648 511 S HA 0.583 5.053 4.470 -0.000 0.000 0.305 511 S C -0.571 173.931 174.600 -0.163 0.000 1.094 511 S CA -0.856 57.256 58.200 -0.146 0.000 0.983 511 S CB 1.870 64.983 63.200 -0.145 0.000 1.101 511 S HN 0.511 nan 8.310 nan 0.000 0.514 512 K N 0.796 121.124 120.400 -0.121 0.000 2.323 512 K HA 0.391 4.710 4.320 -0.000 0.000 0.259 512 K C -1.118 175.423 176.600 -0.098 0.000 0.947 512 K CA -0.538 55.685 56.287 -0.107 0.000 0.819 512 K CB 1.207 33.667 32.500 -0.067 0.000 1.109 512 K HN 0.728 nan 8.250 nan 0.000 0.429 513 K N 5.654 125.985 120.400 -0.116 0.000 2.213 513 K HA 0.290 4.610 4.320 -0.000 0.000 0.270 513 K C -1.236 175.317 176.600 -0.079 0.000 1.002 513 K CA -0.635 55.591 56.287 -0.100 0.000 0.868 513 K CB 0.955 33.374 32.500 -0.136 0.000 1.093 513 K HN 0.587 nan 8.250 nan 0.000 0.454 514 L N 5.074 126.270 121.223 -0.044 0.000 2.324 514 L HA 0.338 4.678 4.340 -0.000 0.000 0.274 514 L C -0.973 175.913 176.870 0.026 0.000 1.012 514 L CA -0.278 54.569 54.840 0.012 0.000 0.859 514 L CB 0.958 43.090 42.059 0.121 0.000 1.224 514 L HN 0.843 nan 8.230 nan 0.000 0.429 515 D N 2.700 122.898 120.400 -0.336 0.000 2.784 515 D HA 0.564 5.204 4.640 -0.000 0.000 0.256 515 D C -1.167 174.837 176.300 -0.494 0.000 1.129 515 D CA 0.031 53.800 54.000 -0.386 0.000 1.102 515 D CB 2.304 42.860 40.800 -0.405 0.000 1.330 515 D HN 0.189 nan 8.370 nan 0.000 0.626 516 F N -0.405 119.270 119.950 -0.458 0.000 2.685 516 F HA 0.642 5.169 4.527 -0.000 0.000 0.315 516 F C -0.978 174.920 175.800 0.164 0.000 1.126 516 F CA -1.087 56.737 58.000 -0.293 0.000 0.950 516 F CB 0.751 39.089 39.000 -1.103 0.000 1.360 516 F HN 0.252 nan 8.300 nan 0.000 0.469 517 I N 0.033 120.910 120.570 0.511 0.000 3.108 517 I HA 0.680 4.850 4.170 -0.000 0.000 0.312 517 I C -1.315 175.065 176.117 0.439 0.000 1.095 517 I CA -1.270 60.251 61.300 0.368 0.000 1.000 517 I CB 2.337 40.513 38.000 0.293 0.000 1.229 517 I HN 0.482 nan 8.210 nan 0.000 0.454 518 I N 3.548 124.298 120.570 0.299 0.000 2.412 518 I HA 0.478 4.647 4.170 -0.000 0.000 0.296 518 I C -0.840 175.437 176.117 0.267 0.000 0.987 518 I CA -0.586 60.872 61.300 0.264 0.000 1.180 518 I CB 1.546 39.651 38.000 0.175 0.000 1.340 518 I HN 0.426 nan 8.210 nan 0.000 0.455 519 L N 6.351 127.780 121.223 0.344 0.000 2.504 519 L HA 0.396 4.736 4.340 -0.000 0.000 0.265 519 L C -0.377 176.645 176.870 0.254 0.000 0.975 519 L CA -0.263 54.763 54.840 0.310 0.000 0.864 519 L CB 0.851 43.156 42.059 0.410 0.000 1.212 519 L HN 0.487 nan 8.230 nan 0.000 0.416 520 N N 3.004 121.785 118.700 0.135 0.000 2.714 520 N HA -0.246 4.493 4.740 -0.000 0.000 0.253 520 N C 0.455 176.011 175.510 0.076 0.000 1.024 520 N CA 1.266 54.370 53.050 0.089 0.000 0.726 520 N CB -0.920 37.614 38.487 0.079 0.000 0.908 520 N HN 0.866 nan 8.380 nan 0.000 0.542 521 E N -4.325 115.916 120.200 0.069 0.000 3.916 521 E HA -0.246 4.104 4.350 -0.000 0.000 0.331 521 E C -0.554 176.045 176.600 -0.002 0.000 0.729 521 E CA 1.608 58.029 56.400 0.036 0.000 1.222 521 E CB -1.312 28.398 29.700 0.018 0.000 1.633 521 E HN 0.561 nan 8.360 nan 0.000 0.437 522 T N 1.014 115.561 114.554 -0.013 0.000 2.867 522 T HA 0.396 4.746 4.350 -0.000 0.000 0.282 522 T C 0.019 174.535 174.700 -0.307 0.000 1.000 522 T CA -0.648 61.327 62.100 -0.208 0.000 1.042 522 T CB 1.485 70.152 68.868 -0.335 0.000 0.973 522 T HN 0.010 nan 8.240 nan 0.000 0.465 523 K N 1.960 122.115 120.400 -0.409 0.000 2.234 523 K HA 0.482 4.802 4.320 -0.000 0.000 0.282 523 K C -1.087 175.201 176.600 -0.519 0.000 1.039 523 K CA -0.214 55.851 56.287 -0.370 0.000 0.928 523 K CB 0.568 32.660 32.500 -0.681 0.000 1.039 523 K HN 0.405 nan 8.250 nan 0.000 0.470 524 F N 1.564 121.581 119.950 0.113 0.000 2.529 524 F HA 0.332 4.859 4.527 -0.000 0.000 0.320 524 F C -0.597 175.326 175.800 0.204 0.000 1.118 524 F CA -0.823 57.268 58.000 0.152 0.000 0.915 524 F CB 1.011 40.120 39.000 0.182 0.000 1.161 524 F HN 0.433 nan 8.300 nan 0.000 0.445 525 W N 3.325 124.800 121.300 0.292 0.000 2.303 525 W HA 0.538 5.198 4.660 -0.000 0.000 0.334 525 W C -0.529 176.228 176.519 0.397 0.000 1.197 525 W CA -0.495 57.042 57.345 0.320 0.000 1.262 525 W CB 0.615 30.180 29.460 0.176 0.000 1.153 525 W HN 0.466 nan 8.180 nan 0.000 0.596 526 Y N -0.841 119.814 120.300 0.592 0.000 2.677 526 Y HA 0.687 5.237 4.550 -0.000 0.000 0.334 526 Y C -0.868 175.274 175.900 0.403 0.000 1.154 526 Y CA -1.892 56.539 58.100 0.553 0.000 1.070 526 Y CB 1.007 39.936 38.460 0.782 0.000 1.294 526 Y HN 0.547 nan 8.280 nan 0.000 0.475 527 Q N 1.192 121.236 119.800 0.407 0.000 2.495 527 Q HA 0.759 5.099 4.340 -0.000 0.000 0.287 527 Q C -1.843 174.290 176.000 0.222 0.000 1.078 527 Q CA -1.229 54.682 55.803 0.180 0.000 0.793 527 Q CB 3.354 32.172 28.738 0.133 0.000 1.459 527 Q HN 0.863 nan 8.270 nan 0.000 0.422 528 M N 2.222 121.865 119.600 0.072 0.000 2.224 528 M HA 0.375 4.855 4.480 -0.000 0.000 0.281 528 M C -1.371 174.868 176.300 -0.102 0.000 1.025 528 M CA -0.864 54.428 55.300 -0.013 0.000 0.954 528 M CB 2.133 34.696 32.600 -0.061 0.000 1.639 528 M HN 0.603 nan 8.290 nan 0.000 0.461 529 I N 5.278 125.789 120.570 -0.098 0.000 2.379 529 I HA 0.279 4.449 4.170 -0.000 0.000 0.290 529 I C -0.352 175.633 176.117 -0.218 0.000 1.063 529 I CA -0.111 61.099 61.300 -0.151 0.000 1.351 529 I CB -0.219 37.704 38.000 -0.129 0.000 1.410 529 I HN 0.630 nan 8.210 nan 0.000 0.505 530 L N 8.380 129.428 121.223 -0.292 0.000 2.296 530 L HA 0.456 4.796 4.340 -0.000 0.000 0.286 530 L C -2.220 174.490 176.870 -0.266 0.000 1.023 530 L CA -1.908 52.691 54.840 -0.402 0.000 0.812 530 L CB 1.275 42.894 42.059 -0.733 0.000 1.223 530 L HN 0.266 nan 8.230 nan 0.000 0.421 531 P HA -0.005 nan 4.420 nan 0.000 0.267 531 P C -2.369 174.870 177.300 -0.101 0.000 1.201 531 P CA -0.574 62.436 63.100 -0.150 0.000 0.775 531 P CB -0.244 31.361 31.700 -0.158 0.000 0.854 532 P HA -0.023 nan 4.420 nan 0.000 0.271 532 P C -0.374 176.854 177.300 -0.119 0.000 1.233 532 P CA 0.193 63.162 63.100 -0.219 0.000 0.789 532 P CB -0.058 31.425 31.700 -0.362 0.000 0.951 533 H N -3.024 116.073 119.070 0.046 0.000 2.741 533 H HA -0.219 4.337 4.556 -0.000 0.000 0.305 533 H C -0.082 175.289 175.328 0.073 0.000 1.169 533 H CA -0.224 55.855 56.048 0.051 0.000 1.144 533 H CB -2.371 27.414 29.762 0.038 0.000 1.397 533 H HN 0.316 nan 8.280 nan 0.000 0.409 534 F N 2.390 122.334 119.950 -0.010 0.000 2.590 534 F HA 0.082 4.609 4.527 -0.000 0.000 0.389 534 F C 0.541 176.350 175.800 0.015 0.000 1.049 534 F CA -0.284 57.668 58.000 -0.080 0.000 1.199 534 F CB 0.432 39.290 39.000 -0.236 0.000 1.058 534 F HN 0.222 nan 8.300 nan 0.000 0.556 535 D N 6.911 127.001 120.400 -0.517 0.000 2.392 535 D HA 0.103 4.743 4.640 -0.000 0.000 0.228 535 D C 0.625 176.548 176.300 -0.629 0.000 1.074 535 D CA -0.594 53.172 54.000 -0.390 0.000 0.838 535 D CB 1.026 41.733 40.800 -0.154 0.000 1.067 535 D HN 0.597 nan 8.370 nan 0.000 0.511 536 K N 2.050 122.161 120.400 -0.481 0.000 2.574 536 K HA -0.088 4.232 4.320 -0.000 0.000 0.193 536 K C 1.093 177.691 176.600 -0.004 0.000 1.035 536 K CA 0.304 56.446 56.287 -0.240 0.000 0.982 536 K CB -0.080 32.450 32.500 0.050 0.000 0.795 536 K HN 0.210 nan 8.250 nan 0.000 0.491 537 S N 0.402 116.055 115.700 -0.079 0.000 2.421 537 S HA 0.008 4.478 4.470 -0.000 0.000 0.224 537 S C 0.579 175.136 174.600 -0.072 0.000 1.035 537 S CA -0.020 58.155 58.200 -0.042 0.000 0.953 537 S CB 0.137 63.304 63.200 -0.056 0.000 0.810 537 S HN 0.371 nan 8.310 nan 0.000 0.497 538 K N 1.003 121.307 120.400 -0.161 0.000 2.117 538 K HA 0.342 4.662 4.320 -0.000 0.000 0.240 538 K C -0.474 175.968 176.600 -0.263 0.000 1.031 538 K CA -0.306 55.818 56.287 -0.273 0.000 0.909 538 K CB 0.389 32.603 32.500 -0.478 0.000 1.097 538 K HN 0.081 nan 8.250 nan 0.000 0.492 539 K N 1.517 121.715 120.400 -0.337 0.000 2.323 539 K HA 0.284 4.604 4.320 -0.000 0.000 0.259 539 K C -1.247 175.151 176.600 -0.335 0.000 0.947 539 K CA -0.524 55.641 56.287 -0.204 0.000 0.819 539 K CB 1.085 33.511 32.500 -0.124 0.000 1.109 539 K HN 0.388 nan 8.250 nan 0.000 0.429 540 Y N 2.537 122.852 120.300 0.024 0.000 2.446 540 Y HA 0.287 4.837 4.550 -0.000 0.000 0.338 540 Y C -1.943 173.897 175.900 -0.100 0.000 1.055 540 Y CA -2.439 55.654 58.100 -0.011 0.000 1.101 540 Y CB 1.057 39.568 38.460 0.084 0.000 1.221 540 Y HN 0.474 nan 8.280 nan 0.000 0.460 541 P HA 0.172 nan 4.420 nan 0.000 0.272 541 P C -1.177 176.001 177.300 -0.203 0.000 1.230 541 P CA -0.226 62.611 63.100 -0.438 0.000 0.788 541 P CB 1.524 32.645 31.700 -0.965 0.000 0.949 542 L N 2.165 123.282 121.223 -0.176 0.000 2.409 542 L HA 0.476 4.816 4.340 -0.000 0.000 0.272 542 L C -1.198 175.848 176.870 0.292 0.000 0.980 542 L CA -0.813 54.081 54.840 0.091 0.000 0.826 542 L CB 1.469 43.592 42.059 0.106 0.000 1.268 542 L HN 0.237 nan 8.230 nan 0.000 0.407 543 L N 5.743 127.152 121.223 0.309 0.000 2.272 543 L HA 0.429 4.769 4.340 -0.000 0.000 0.289 543 L C -1.088 176.000 176.870 0.364 0.000 1.032 543 L CA -0.867 54.199 54.840 0.376 0.000 0.810 543 L CB 1.649 43.872 42.059 0.274 0.000 1.205 543 L HN 0.651 nan 8.230 nan 0.000 0.422 544 L N 5.526 127.007 121.223 0.430 0.000 2.261 544 L HA 0.309 4.649 4.340 -0.000 0.000 0.289 544 L C -0.287 176.811 176.870 0.381 0.000 1.059 544 L CA 0.107 55.192 54.840 0.409 0.000 0.816 544 L CB 0.792 43.120 42.059 0.447 0.000 1.191 544 L HN 0.476 nan 8.230 nan 0.000 0.431 545 D N 4.736 125.350 120.400 0.357 0.000 2.347 545 D HA 0.321 4.961 4.640 -0.000 0.000 0.235 545 D C -0.730 175.661 176.300 0.153 0.000 1.149 545 D CA -0.173 53.984 54.000 0.261 0.000 0.850 545 D CB 1.169 42.198 40.800 0.381 0.000 1.061 545 D HN 0.344 nan 8.370 nan 0.000 0.487 546 V N 2.821 122.744 119.914 0.015 0.000 2.667 546 V HA 0.543 4.663 4.120 -0.000 0.000 0.308 546 V C -0.598 175.586 176.094 0.151 0.000 1.048 546 V CA -0.540 61.827 62.300 0.112 0.000 0.928 546 V CB 1.661 33.542 31.823 0.096 0.000 1.004 546 V HN 0.590 nan 8.190 nan 0.000 0.444 547 Y N 3.827 124.196 120.300 0.116 0.000 3.011 547 Y HA 0.566 5.116 4.550 -0.000 0.000 0.231 547 Y C 1.888 177.923 175.900 0.225 0.000 0.983 547 Y CA 1.527 59.722 58.100 0.159 0.000 1.429 547 Y CB 0.011 38.551 38.460 0.133 0.000 1.491 547 Y HN 1.313 nan 8.280 nan 0.000 0.444 548 A N 0.919 123.836 122.820 0.161 0.000 2.816 548 A HA -0.180 4.140 4.320 -0.000 0.000 0.270 548 A C 1.004 178.455 177.584 -0.221 0.000 1.413 548 A CA 1.005 53.085 52.037 0.072 0.000 0.866 548 A CB -2.395 16.699 19.000 0.157 0.000 1.032 548 A HN 0.898 nan 8.150 nan 0.000 0.642 549 G N -0.909 107.535 108.800 -0.595 0.000 2.569 549 G HA2 0.476 4.436 3.960 -0.000 0.000 0.249 549 G HA3 0.476 4.436 3.960 -0.000 0.000 0.249 549 G C -2.154 172.485 174.900 -0.435 0.000 1.216 549 G CA -0.828 43.614 45.100 -1.097 0.000 0.845 549 G HN 0.299 nan 8.290 nan 0.000 0.568 550 P HA 0.020 nan 4.420 nan 0.000 0.262 550 P C 0.705 177.921 177.300 -0.139 0.000 1.182 550 P CA 0.131 63.005 63.100 -0.376 0.000 0.761 550 P CB 0.590 31.710 31.700 -0.966 0.000 0.795 551 C N 2.604 121.867 119.300 -0.062 0.000 4.356 551 C HA -0.154 4.306 4.460 -0.000 0.000 0.296 551 C C 1.011 176.032 174.990 0.052 0.000 1.424 551 C CA 1.101 60.042 59.018 -0.128 0.000 2.000 551 C CB -2.732 24.779 27.740 -0.381 0.000 1.262 551 C HN 0.794 nan 8.230 nan 0.000 0.789 552 S N -0.309 115.490 115.700 0.164 0.000 2.713 552 S HA 0.699 5.169 4.470 -0.000 0.000 0.277 552 S C -0.628 174.166 174.600 0.323 0.000 1.168 552 S CA 0.152 58.547 58.200 0.324 0.000 0.994 552 S CB 1.642 65.097 63.200 0.424 0.000 1.054 552 S HN 0.949 nan 8.310 nan 0.000 0.555 553 Q N -0.497 119.510 119.800 0.345 0.000 2.418 553 Q HA 0.307 4.647 4.340 -0.000 0.000 0.240 553 Q C -1.066 175.076 176.000 0.236 0.000 0.859 553 Q CA -0.528 55.461 55.803 0.311 0.000 0.916 553 Q CB 0.986 29.964 28.738 0.400 0.000 1.448 553 Q HN 0.683 nan 8.270 nan 0.000 0.439 554 K N 0.861 121.396 120.400 0.225 0.000 2.380 554 K HA 0.326 4.646 4.320 -0.000 0.000 0.198 554 K C -0.142 176.575 176.600 0.195 0.000 1.070 554 K CA 0.417 56.826 56.287 0.204 0.000 1.040 554 K CB 1.518 34.163 32.500 0.242 0.000 0.903 554 K HN 0.489 nan 8.250 nan 0.000 0.549 555 A N 3.025 125.971 122.820 0.210 0.000 2.280 555 A HA 0.394 4.714 4.320 -0.000 0.000 0.320 555 A C -0.768 176.893 177.584 0.128 0.000 1.366 555 A CA -0.433 51.727 52.037 0.205 0.000 0.938 555 A CB -0.059 19.127 19.000 0.310 0.000 1.157 555 A HN 0.255 nan 8.150 nan 0.000 0.536 556 D N -0.140 120.312 120.400 0.087 0.000 2.626 556 D HA 0.402 5.042 4.640 -0.000 0.000 0.278 556 D C 0.244 176.564 176.300 0.033 0.000 1.211 556 D CA 0.155 54.192 54.000 0.061 0.000 0.903 556 D CB 0.373 41.217 40.800 0.073 0.000 1.408 556 D HN 0.150 nan 8.370 nan 0.000 0.454 557 T N -2.243 112.354 114.554 0.072 0.000 3.312 557 T HA 0.316 4.666 4.350 -0.000 0.000 0.251 557 T C 0.550 175.234 174.700 -0.027 0.000 1.012 557 T CA -0.303 61.830 62.100 0.055 0.000 0.925 557 T CB -0.858 68.081 68.868 0.118 0.000 1.049 557 T HN 0.517 nan 8.240 nan 0.000 0.583 558 V N 0.668 120.477 119.914 -0.176 0.000 2.644 558 V HA 0.687 4.807 4.120 -0.000 0.000 0.295 558 V C -0.386 175.665 176.094 -0.071 0.000 1.053 558 V CA -1.512 60.649 62.300 -0.231 0.000 0.987 558 V CB 0.964 32.465 31.823 -0.538 0.000 1.006 558 V HN 0.418 nan 8.190 nan 0.000 0.472 559 F N 6.735 126.591 119.950 -0.156 0.000 2.427 559 F HA 0.681 5.208 4.527 -0.000 0.000 0.352 559 F C 0.426 176.170 175.800 -0.093 0.000 1.100 559 F CA -0.147 57.786 58.000 -0.112 0.000 1.191 559 F CB 0.472 39.412 39.000 -0.099 0.000 1.128 559 F HN 0.601 nan 8.300 nan 0.000 0.533 560 R N 6.570 126.632 120.500 -0.731 0.000 2.651 560 R HA 0.513 4.853 4.340 -0.000 0.000 0.278 560 R C -1.710 174.205 176.300 -0.641 0.000 1.010 560 R CA -1.047 54.765 56.100 -0.480 0.000 0.896 560 R CB 2.131 32.288 30.300 -0.237 0.000 1.211 560 R HN 0.650 nan 8.270 nan 0.000 0.456 561 L N 3.923 124.953 121.223 -0.320 0.000 2.301 561 L HA 0.444 4.784 4.340 -0.000 0.000 0.278 561 L C -0.175 176.698 176.870 0.006 0.000 1.022 561 L CA -0.315 54.396 54.840 -0.216 0.000 0.854 561 L CB 0.624 42.696 42.059 0.021 0.000 1.226 561 L HN 0.836 nan 8.230 nan 0.000 0.429 562 N N -0.259 118.359 118.700 -0.137 0.000 3.418 562 N HA 0.188 4.928 4.740 -0.000 0.000 0.316 562 N C 0.148 175.320 175.510 -0.564 0.000 1.601 562 N CA -0.906 51.969 53.050 -0.292 0.000 0.805 562 N CB 0.644 39.085 38.487 -0.076 0.000 1.873 562 N HN 0.272 nan 8.380 nan 0.000 0.615 563 W N 0.948 121.701 121.300 -0.911 0.000 2.333 563 W HA 0.048 4.708 4.660 -0.000 0.000 0.316 563 W C 2.443 178.900 176.519 -0.103 0.000 1.215 563 W CA 2.647 59.654 57.345 -0.564 0.000 1.278 563 W CB -1.048 28.285 29.460 -0.212 0.000 1.154 563 W HN 0.719 nan 8.180 nan 0.000 0.486 564 A N -0.375 122.415 122.820 -0.051 0.000 1.948 564 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 564 A C 1.949 179.419 177.584 -0.189 0.000 1.177 564 A CA 2.800 54.735 52.037 -0.169 0.000 0.636 564 A CB -1.355 17.630 19.000 -0.024 0.000 0.815 564 A HN 0.334 nan 8.150 nan 0.000 0.449 565 T N -1.316 113.135 114.554 -0.171 0.000 2.720 565 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 565 T C 1.794 176.477 174.700 -0.028 0.000 1.037 565 T CA 1.770 63.732 62.100 -0.230 0.000 1.144 565 T CB -0.485 68.081 68.868 -0.503 0.000 0.864 565 T HN 0.691 nan 8.240 nan 0.000 0.444 566 Y N 1.961 122.305 120.300 0.073 0.000 2.145 566 Y HA -0.032 4.518 4.550 -0.000 0.000 0.286 566 Y C 1.948 177.839 175.900 -0.015 0.000 1.145 566 Y CA 0.941 59.153 58.100 0.187 0.000 1.148 566 Y CB -0.729 37.835 38.460 0.173 0.000 0.981 566 Y HN 0.132 nan 8.280 nan 0.000 0.507 567 L N 0.020 120.862 121.223 -0.634 0.000 2.046 567 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 567 L C 2.806 179.420 176.870 -0.427 0.000 1.077 567 L CA 1.219 55.605 54.840 -0.756 0.000 0.747 567 L CB -0.965 40.693 42.059 -0.669 0.000 0.896 567 L HN 0.397 nan 8.230 nan 0.000 0.432 568 A N -1.038 121.609 122.820 -0.287 0.000 1.872 568 A HA -0.187 4.133 4.320 -0.000 0.000 0.214 568 A C 2.526 180.017 177.584 -0.154 0.000 1.187 568 A CA 1.769 53.689 52.037 -0.196 0.000 0.614 568 A CB -0.679 18.211 19.000 -0.184 0.000 0.826 568 A HN 0.333 nan 8.150 nan 0.000 0.442 569 S N -1.096 114.529 115.700 -0.126 0.000 2.348 569 S HA -0.133 4.337 4.470 -0.000 0.000 0.221 569 S C 2.011 176.596 174.600 -0.025 0.000 1.033 569 S CA 2.396 60.568 58.200 -0.047 0.000 1.010 569 S CB -0.453 62.780 63.200 0.054 0.000 0.891 569 S HN 0.589 nan 8.310 nan 0.000 0.442 570 T N 1.122 115.633 114.554 -0.072 0.000 2.953 570 T HA 0.183 4.533 4.350 -0.000 0.000 0.247 570 T C 1.223 175.869 174.700 -0.090 0.000 1.029 570 T CA 0.551 62.631 62.100 -0.032 0.000 1.144 570 T CB -0.134 68.779 68.868 0.076 0.000 0.870 570 T HN 0.296 nan 8.240 nan 0.000 0.446 571 E N 1.674 121.725 120.200 -0.249 0.000 2.444 571 E HA 0.173 4.523 4.350 -0.000 0.000 0.191 571 E C 0.013 176.579 176.600 -0.056 0.000 1.041 571 E CA -0.162 56.148 56.400 -0.150 0.000 0.883 571 E CB -0.262 29.299 29.700 -0.232 0.000 1.024 571 E HN 0.363 nan 8.360 nan 0.000 0.470 572 N N 0.913 119.586 118.700 -0.045 0.000 2.710 572 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 572 N C -0.347 175.202 175.510 0.064 0.000 1.059 572 N CA 0.743 53.816 53.050 0.038 0.000 0.720 572 N CB -1.433 37.144 38.487 0.151 0.000 0.983 572 N HN 0.328 nan 8.380 nan 0.000 0.544 573 I N 0.895 121.449 120.570 -0.026 0.000 2.437 573 I HA 0.316 4.486 4.170 -0.000 0.000 0.298 573 I C 1.005 177.095 176.117 -0.046 0.000 0.984 573 I CA -0.708 60.597 61.300 0.008 0.000 1.214 573 I CB 1.282 39.295 38.000 0.023 0.000 1.365 573 I HN -0.066 nan 8.210 nan 0.000 0.469 574 I N 6.248 126.816 120.570 -0.004 0.000 2.352 574 I HA 0.165 4.335 4.170 -0.000 0.000 0.290 574 I C -0.446 175.674 176.117 0.004 0.000 1.036 574 I CA -0.449 60.827 61.300 -0.040 0.000 1.336 574 I CB 0.952 38.958 38.000 0.009 0.000 1.407 574 I HN 0.189 nan 8.210 nan 0.000 0.497 575 V N 6.643 126.544 119.914 -0.022 0.000 2.350 575 V HA 0.652 4.771 4.120 -0.000 0.000 0.276 575 V C 0.387 176.522 176.094 0.067 0.000 1.028 575 V CA -0.429 61.899 62.300 0.048 0.000 0.860 575 V CB 1.084 32.919 31.823 0.020 0.000 0.990 575 V HN 0.834 nan 8.190 nan 0.000 0.453 576 A N 4.032 126.931 122.820 0.131 0.000 2.354 576 A HA 0.962 5.282 4.320 -0.000 0.000 0.321 576 A C -0.231 177.533 177.584 0.300 0.000 1.125 576 A CA -0.537 51.587 52.037 0.145 0.000 0.799 576 A CB 1.834 20.796 19.000 -0.064 0.000 1.293 576 A HN 0.710 nan 8.150 nan 0.000 0.452 577 S N -0.379 115.546 115.700 0.375 0.000 2.569 577 S HA 0.778 5.248 4.470 -0.000 0.000 0.280 577 S C -1.474 173.492 174.600 0.609 0.000 1.111 577 S CA -0.329 58.131 58.200 0.433 0.000 0.887 577 S CB 1.431 64.823 63.200 0.320 0.000 1.095 577 S HN 0.870 nan 8.310 nan 0.000 0.476 578 F N 1.613 121.796 119.950 0.389 0.000 2.581 578 F HA 0.456 4.983 4.527 -0.000 0.000 0.311 578 F C -1.660 174.340 175.800 0.334 0.000 1.113 578 F CA -0.696 57.554 58.000 0.417 0.000 0.935 578 F CB 1.576 40.786 39.000 0.350 0.000 1.232 578 F HN 0.435 nan 8.300 nan 0.000 0.445 579 D N 4.887 125.071 120.400 -0.361 0.000 2.493 579 D HA 0.310 4.950 4.640 -0.000 0.000 0.235 579 D C 0.453 176.459 176.300 -0.490 0.000 1.117 579 D CA 0.053 53.926 54.000 -0.211 0.000 0.930 579 D CB 1.356 42.196 40.800 0.067 0.000 1.010 579 D HN 0.757 nan 8.370 nan 0.000 0.514 580 G N 1.080 109.637 108.800 -0.405 0.000 2.531 580 G HA2 0.227 4.187 3.960 -0.000 0.000 0.253 580 G HA3 0.227 4.187 3.960 -0.000 0.000 0.253 580 G C 0.342 175.218 174.900 -0.040 0.000 1.439 580 G CA -0.664 44.258 45.100 -0.295 0.000 1.056 580 G HN 0.275 nan 8.290 nan 0.000 0.555 581 R N -1.011 119.463 120.500 -0.043 0.000 2.698 581 R HA 0.352 4.692 4.340 -0.000 0.000 0.266 581 R C 1.350 177.732 176.300 0.137 0.000 1.026 581 R CA 1.534 57.706 56.100 0.119 0.000 1.102 581 R CB 0.356 30.719 30.300 0.104 0.000 0.978 581 R HN 1.041 nan 8.270 nan 0.000 0.436 582 G N 0.720 109.603 108.800 0.138 0.000 2.284 582 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.230 582 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.230 582 G C 0.181 175.121 174.900 0.067 0.000 1.021 582 G CA 0.152 45.319 45.100 0.112 0.000 0.619 582 G HN 0.767 nan 8.290 nan 0.000 0.510 583 S N 0.576 116.323 115.700 0.080 0.000 2.589 583 S HA 0.608 5.078 4.470 -0.000 0.000 0.265 583 S C 0.868 175.475 174.600 0.013 0.000 1.342 583 S CA 0.715 58.960 58.200 0.075 0.000 1.005 583 S CB 1.577 64.849 63.200 0.121 0.000 0.909 583 S HN 1.765 nan 8.310 nan 0.000 0.555 584 G N -0.883 107.885 108.800 -0.053 0.000 2.601 584 G HA2 0.521 4.481 3.960 -0.000 0.000 0.317 584 G HA3 0.521 4.481 3.960 -0.000 0.000 0.317 584 G C -1.068 173.717 174.900 -0.191 0.000 1.246 584 G CA -1.014 43.900 45.100 -0.311 0.000 1.012 584 G HN 1.007 nan 8.290 nan 0.000 0.494 585 Y N -2.351 117.965 120.300 0.026 0.000 4.569 585 Y HA -0.200 4.350 4.550 -0.000 0.000 0.237 585 Y C 1.231 177.150 175.900 0.031 0.000 1.090 585 Y CA 0.928 59.049 58.100 0.035 0.000 2.052 585 Y CB -2.215 36.281 38.460 0.059 0.000 1.621 585 Y HN 0.541 nan 8.280 nan 0.000 0.682 586 Q N -0.309 119.523 119.800 0.054 0.000 2.028 586 Q HA 0.501 4.841 4.340 -0.000 0.000 0.207 586 Q C 0.833 176.739 176.000 -0.156 0.000 0.776 586 Q CA 0.197 56.031 55.803 0.052 0.000 1.015 586 Q CB 1.822 30.597 28.738 0.061 0.000 1.215 586 Q HN 0.633 nan 8.270 nan 0.000 0.445 587 G N 0.698 109.281 108.800 -0.361 0.000 2.629 587 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 587 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 587 G C -0.562 173.994 174.900 -0.573 0.000 1.232 587 G CA -0.533 44.090 45.100 -0.794 0.000 0.803 587 G HN 0.070 nan 8.290 nan 0.000 0.638 588 D N -0.030 119.985 120.400 -0.642 0.000 2.183 588 D HA -0.040 4.600 4.640 -0.000 0.000 0.203 588 D C 2.219 178.244 176.300 -0.459 0.000 0.969 588 D CA 1.210 54.782 54.000 -0.713 0.000 0.842 588 D CB -0.013 40.254 40.800 -0.889 0.000 0.957 588 D HN 0.603 nan 8.370 nan 0.000 0.484 589 K N 0.596 120.783 120.400 -0.354 0.000 2.059 589 K HA -0.178 4.142 4.320 -0.000 0.000 0.212 589 K C 2.038 178.561 176.600 -0.128 0.000 1.050 589 K CA 1.120 57.287 56.287 -0.199 0.000 0.927 589 K CB -0.130 32.268 32.500 -0.170 0.000 0.714 589 K HN 0.117 nan 8.250 nan 0.000 0.447 590 I N 0.244 120.731 120.570 -0.139 0.000 2.235 590 I HA -0.238 3.932 4.170 -0.000 0.000 0.241 590 I C 2.673 178.787 176.117 -0.005 0.000 1.085 590 I CA 0.962 62.252 61.300 -0.017 0.000 1.378 590 I CB -0.130 37.881 38.000 0.019 0.000 1.076 590 I HN 0.308 nan 8.210 nan 0.000 0.415 591 M N 0.073 119.610 119.600 -0.105 0.000 2.108 591 M HA -0.264 4.216 4.480 -0.000 0.000 0.261 591 M C 1.894 178.257 176.300 0.105 0.000 1.066 591 M CA 2.034 57.302 55.300 -0.053 0.000 1.107 591 M CB -0.346 32.128 32.600 -0.210 0.000 1.356 591 M HN 0.283 nan 8.290 nan 0.000 0.406 592 H N -0.829 118.164 119.070 -0.129 0.000 2.547 592 H HA 0.179 4.735 4.556 -0.000 0.000 0.266 592 H C 1.838 177.201 175.328 0.057 0.000 0.988 592 H CA 0.082 56.072 56.048 -0.097 0.000 1.147 592 H CB 0.173 29.782 29.762 -0.255 0.000 1.365 592 H HN 0.531 nan 8.280 nan 0.000 0.589 593 A N 0.965 123.893 122.820 0.182 0.000 2.024 593 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 593 A C 1.940 179.731 177.584 0.346 0.000 1.164 593 A CA 1.257 53.403 52.037 0.180 0.000 0.643 593 A CB -0.252 18.802 19.000 0.089 0.000 0.806 593 A HN 0.317 nan 8.150 nan 0.000 0.451 594 I N -0.275 120.482 120.570 0.312 0.000 3.793 594 I HA 0.067 4.237 4.170 -0.000 0.000 0.315 594 I C 0.506 176.726 176.117 0.172 0.000 1.275 594 I CA -0.312 61.138 61.300 0.250 0.000 1.214 594 I CB -0.473 37.635 38.000 0.180 0.000 1.018 594 I HN 0.233 nan 8.210 nan 0.000 0.439 595 N N 2.214 121.063 118.700 0.247 0.000 2.301 595 N HA -0.128 4.612 4.740 -0.000 0.000 0.267 595 N C 0.450 175.987 175.510 0.046 0.000 1.304 595 N CA 0.756 53.932 53.050 0.210 0.000 0.851 595 N CB 0.021 38.604 38.487 0.159 0.000 1.070 595 N HN 0.198 nan 8.380 nan 0.000 0.483 596 R N 0.579 121.068 120.500 -0.017 0.000 3.989 596 R HA -0.238 4.102 4.340 -0.000 0.000 0.377 596 R C -0.527 175.606 176.300 -0.278 0.000 1.158 596 R CA 0.986 57.023 56.100 -0.105 0.000 1.035 596 R CB -1.450 28.815 30.300 -0.058 0.000 1.557 596 R HN 0.589 nan 8.270 nan 0.000 0.551 597 R N 0.474 120.792 120.500 -0.303 0.000 2.627 597 R HA 0.332 4.672 4.340 -0.000 0.000 0.251 597 R C -0.543 175.678 176.300 -0.132 0.000 1.524 597 R CA -0.267 55.471 56.100 -0.604 0.000 1.606 597 R CB 0.729 30.669 30.300 -0.599 0.000 1.396 597 R HN 0.012 nan 8.270 nan 0.000 0.724 598 L N 0.329 121.568 121.223 0.027 0.000 2.461 598 L HA 0.314 4.654 4.340 -0.000 0.000 0.272 598 L C 1.215 178.345 176.870 0.434 0.000 1.197 598 L CA 0.636 55.570 54.840 0.156 0.000 0.836 598 L CB 0.662 42.651 42.059 -0.115 0.000 1.105 598 L HN 0.758 nan 8.230 nan 0.000 0.477 599 G N 1.741 110.810 108.800 0.449 0.000 2.256 599 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.272 599 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.272 599 G C 0.131 175.107 174.900 0.126 0.000 1.076 599 G CA 0.322 45.604 45.100 0.304 0.000 0.882 599 G HN 0.737 nan 8.290 nan 0.000 0.497 600 T N -1.384 113.195 114.554 0.042 0.000 2.310 600 T HA 0.425 4.775 4.350 -0.000 0.000 0.157 600 T C 1.483 176.105 174.700 -0.131 0.000 0.772 600 T CA 0.548 62.544 62.100 -0.175 0.000 0.860 600 T CB -0.044 68.551 68.868 -0.455 0.000 2.770 600 T HN 0.024 nan 8.240 nan 0.000 0.373 601 F N 2.858 122.850 119.950 0.069 0.000 2.293 601 F HA 0.070 4.597 4.527 -0.000 0.000 0.300 601 F C 2.569 178.400 175.800 0.051 0.000 1.086 601 F CA 0.881 58.909 58.000 0.047 0.000 1.375 601 F CB -0.364 38.661 39.000 0.042 0.000 1.045 601 F HN 0.408 nan 8.300 nan 0.000 0.516 602 E N 0.605 120.943 120.200 0.230 0.000 2.216 602 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 602 E C 1.953 178.646 176.600 0.154 0.000 0.988 602 E CA 1.233 57.747 56.400 0.189 0.000 0.834 602 E CB -0.829 28.986 29.700 0.192 0.000 0.772 602 E HN 0.306 nan 8.360 nan 0.000 0.479 603 V N 1.766 121.745 119.914 0.107 0.000 2.407 603 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 603 V C 2.592 178.719 176.094 0.054 0.000 1.041 603 V CA 1.858 64.183 62.300 0.043 0.000 1.040 603 V CB -0.587 31.216 31.823 -0.034 0.000 0.671 603 V HN 0.302 nan 8.190 nan 0.000 0.455 604 E N 0.415 120.658 120.200 0.073 0.000 2.106 604 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 604 E C 1.678 178.309 176.600 0.051 0.000 0.984 604 E CA 1.556 57.996 56.400 0.068 0.000 0.806 604 E CB -0.045 29.723 29.700 0.113 0.000 0.750 604 E HN 0.575 nan 8.360 nan 0.000 0.458 605 D N 0.324 120.774 120.400 0.082 0.000 2.224 605 D HA -0.127 4.513 4.640 -0.000 0.000 0.205 605 D C 1.942 178.258 176.300 0.025 0.000 0.965 605 D CA 0.593 54.624 54.000 0.051 0.000 0.852 605 D CB -0.113 40.750 40.800 0.105 0.000 0.947 605 D HN 0.195 nan 8.370 nan 0.000 0.494 606 Q N 0.159 120.023 119.800 0.107 0.000 2.119 606 Q HA -0.037 4.303 4.340 -0.000 0.000 0.201 606 Q C 2.477 178.502 176.000 0.041 0.000 0.972 606 Q CA 0.531 56.399 55.803 0.109 0.000 0.847 606 Q CB -0.006 28.822 28.738 0.150 0.000 0.903 606 Q HN 0.434 nan 8.270 nan 0.000 0.433 607 I N 0.511 121.114 120.570 0.055 0.000 2.163 607 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 607 I C 2.355 178.395 176.117 -0.129 0.000 1.081 607 I CA 1.181 62.520 61.300 0.065 0.000 1.353 607 I CB -0.299 37.738 38.000 0.062 0.000 1.054 607 I HN 0.154 nan 8.210 nan 0.000 0.407 608 E N 1.619 121.713 120.200 -0.177 0.000 2.160 608 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 608 E C 2.024 178.333 176.600 -0.484 0.000 0.991 608 E CA 1.633 57.873 56.400 -0.267 0.000 0.810 608 E CB -0.137 29.439 29.700 -0.207 0.000 0.742 608 E HN 0.425 nan 8.360 nan 0.000 0.466 609 A N 0.919 123.309 122.820 -0.717 0.000 1.858 609 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 609 A C 2.509 179.341 177.584 -1.254 0.000 1.190 609 A CA 2.280 53.557 52.037 -1.267 0.000 0.617 609 A CB -1.253 16.732 19.000 -1.691 0.000 0.827 609 A HN 0.402 nan 8.150 nan 0.000 0.443 610 A N -0.139 122.283 122.820 -0.664 0.000 1.903 610 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 610 A C 2.266 179.630 177.584 -0.366 0.000 1.191 610 A CA 1.900 53.716 52.037 -0.367 0.000 0.638 610 A CB -0.590 18.246 19.000 -0.273 0.000 0.823 610 A HN 0.580 nan 8.150 nan 0.000 0.451 611 R N -1.023 119.256 120.500 -0.370 0.000 2.080 611 R HA -0.159 4.181 4.340 -0.000 0.000 0.236 611 R C 2.486 178.629 176.300 -0.263 0.000 1.137 611 R CA 1.509 57.443 56.100 -0.277 0.000 0.943 611 R CB -0.478 29.682 30.300 -0.234 0.000 0.846 611 R HN 0.613 nan 8.270 nan 0.000 0.431 612 Q N 0.012 119.598 119.800 -0.356 0.000 2.096 612 Q HA -0.201 4.139 4.340 -0.000 0.000 0.208 612 Q C 2.086 177.977 176.000 -0.182 0.000 0.993 612 Q CA 1.622 57.239 55.803 -0.310 0.000 0.862 612 Q CB -0.369 28.090 28.738 -0.465 0.000 0.915 612 Q HN 0.301 nan 8.270 nan 0.000 0.416 613 F N 0.959 120.754 119.950 -0.259 0.000 2.186 613 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 613 F C 2.630 178.266 175.800 -0.273 0.000 1.090 613 F CA 0.623 58.467 58.000 -0.259 0.000 1.307 613 F CB -1.036 37.845 39.000 -0.198 0.000 1.019 613 F HN -0.043 nan 8.300 nan 0.000 0.489 614 S N 0.280 115.947 115.700 -0.054 0.000 2.351 614 S HA -0.234 4.236 4.470 -0.000 0.000 0.220 614 S C 1.983 176.489 174.600 -0.157 0.000 1.035 614 S CA 1.454 59.580 58.200 -0.123 0.000 1.031 614 S CB -0.385 62.736 63.200 -0.132 0.000 0.928 614 S HN 0.314 nan 8.310 nan 0.000 0.433 615 K N 0.662 120.979 120.400 -0.138 0.000 2.097 615 K HA -0.174 4.146 4.320 -0.000 0.000 0.214 615 K C 0.574 177.080 176.600 -0.157 0.000 1.052 615 K CA 1.086 57.298 56.287 -0.125 0.000 0.932 615 K CB -0.555 31.883 32.500 -0.103 0.000 0.716 615 K HN 0.415 nan 8.250 nan 0.000 0.455 616 M N 0.546 120.013 119.600 -0.223 0.000 2.248 616 M HA -0.052 4.428 4.480 -0.000 0.000 0.343 616 M C 1.122 177.115 176.300 -0.512 0.000 1.243 616 M CA 0.399 55.459 55.300 -0.399 0.000 1.025 616 M CB 0.455 32.667 32.600 -0.645 0.000 1.759 616 M HN 0.197 nan 8.290 nan 0.000 0.452 617 G N 2.880 111.485 108.800 -0.325 0.000 3.379 617 G HA2 0.295 4.255 3.960 -0.000 0.000 0.253 617 G HA3 0.295 4.255 3.960 -0.000 0.000 0.253 617 G C 0.231 175.113 174.900 -0.029 0.000 1.262 617 G CA -0.266 44.751 45.100 -0.138 0.000 0.959 617 G HN 0.843 nan 8.290 nan 0.000 0.524 618 F N -1.298 118.693 119.950 0.069 0.000 2.838 618 F HA 0.455 4.982 4.527 -0.000 0.000 0.329 618 F C -0.228 175.660 175.800 0.146 0.000 1.116 618 F CA -1.500 56.560 58.000 0.099 0.000 1.155 618 F CB -0.080 39.039 39.000 0.199 0.000 1.106 618 F HN -0.002 nan 8.300 nan 0.000 0.538 619 V N 0.800 120.687 119.914 -0.046 0.000 2.459 619 V HA 0.528 4.648 4.120 -0.000 0.000 0.295 619 V C -0.774 175.291 176.094 -0.049 0.000 1.029 619 V CA -0.486 61.830 62.300 0.027 0.000 0.874 619 V CB 1.594 33.402 31.823 -0.025 0.000 0.985 619 V HN 0.186 nan 8.190 nan 0.000 0.438 620 D N 5.019 125.385 120.400 -0.056 0.000 2.344 620 D HA 0.114 4.754 4.640 -0.000 0.000 0.253 620 D C 1.180 177.418 176.300 -0.104 0.000 1.255 620 D CA 0.045 53.985 54.000 -0.099 0.000 0.894 620 D CB 0.868 41.587 40.800 -0.134 0.000 1.067 620 D HN 0.830 nan 8.370 nan 0.000 0.492 621 N N 3.548 122.192 118.700 -0.093 0.000 2.571 621 N HA -0.123 4.617 4.740 -0.000 0.000 0.189 621 N C 0.611 176.073 175.510 -0.080 0.000 1.154 621 N CA 0.383 53.377 53.050 -0.094 0.000 0.907 621 N CB 0.075 38.502 38.487 -0.099 0.000 0.977 621 N HN 0.383 nan 8.380 nan 0.000 0.449 622 K N -0.015 120.343 120.400 -0.070 0.000 2.361 622 K HA 0.174 4.494 4.320 -0.000 0.000 0.196 622 K C 0.401 176.993 176.600 -0.014 0.000 1.039 622 K CA 0.279 56.542 56.287 -0.039 0.000 1.001 622 K CB 0.468 32.947 32.500 -0.036 0.000 0.795 622 K HN 0.079 nan 8.250 nan 0.000 0.495 623 R N 1.379 121.829 120.500 -0.083 0.000 2.724 623 R HA 0.346 4.686 4.340 -0.000 0.000 0.284 623 R C -1.019 175.179 176.300 -0.170 0.000 1.481 623 R CA -0.112 55.892 56.100 -0.159 0.000 1.652 623 R CB 0.484 30.487 30.300 -0.495 0.000 1.175 623 R HN 0.018 nan 8.270 nan 0.000 0.613 624 I N 1.313 121.977 120.570 0.157 0.000 2.411 624 I HA 0.443 4.613 4.170 -0.000 0.000 0.284 624 I C 0.042 176.511 176.117 0.586 0.000 1.012 624 I CA -0.683 60.791 61.300 0.290 0.000 1.119 624 I CB 1.839 39.894 38.000 0.093 0.000 1.261 624 I HN 0.306 nan 8.210 nan 0.000 0.448 625 A N 7.159 130.402 122.820 0.704 0.000 2.282 625 A HA 0.934 5.254 4.320 -0.000 0.000 0.324 625 A C -0.829 177.036 177.584 0.468 0.000 1.119 625 A CA -0.644 51.718 52.037 0.542 0.000 0.880 625 A CB 1.852 21.041 19.000 0.315 0.000 1.294 625 A HN 0.746 nan 8.150 nan 0.000 0.493 626 I N -0.208 120.536 120.570 0.291 0.000 2.827 626 I HA 0.682 4.852 4.170 -0.000 0.000 0.298 626 I C -2.148 174.188 176.117 0.365 0.000 1.235 626 I CA -0.628 60.779 61.300 0.179 0.000 1.021 626 I CB 1.859 39.624 38.000 -0.393 0.000 1.259 626 I HN 0.965 nan 8.210 nan 0.000 0.427 627 W N 6.568 127.955 121.300 0.145 0.000 3.363 627 W HA 0.790 5.450 4.660 -0.000 0.000 0.306 627 W C -1.702 174.948 176.519 0.218 0.000 1.253 627 W CA -1.011 56.445 57.345 0.186 0.000 1.195 627 W CB 0.860 30.483 29.460 0.271 0.000 1.366 627 W HN 0.832 nan 8.180 nan 0.000 0.551 628 G N 1.443 110.122 108.800 -0.202 0.000 2.698 628 G HA2 0.517 4.477 3.960 -0.000 0.000 0.293 628 G HA3 0.517 4.477 3.960 -0.000 0.000 0.293 628 G C -2.612 172.219 174.900 -0.116 0.000 1.437 628 G CA -0.702 44.171 45.100 -0.379 0.000 0.852 628 G HN 0.587 nan 8.290 nan 0.000 0.499 629 W N 1.294 122.467 121.300 -0.212 0.000 2.606 629 W HA 0.578 5.238 4.660 -0.000 0.000 0.332 629 W C 0.840 177.418 176.519 0.099 0.000 1.052 629 W CA 0.443 57.764 57.345 -0.040 0.000 1.223 629 W CB 1.827 31.265 29.460 -0.036 0.000 1.383 629 W HN 1.151 nan 8.180 nan 0.000 0.524 630 S N 2.877 118.836 115.700 0.432 0.000 4.141 630 S HA -0.425 4.045 4.470 -0.000 0.000 0.622 630 S C 1.091 175.839 174.600 0.247 0.000 1.894 630 S CA 1.710 60.206 58.200 0.495 0.000 4.238 630 S CB -1.865 61.798 63.200 0.772 0.000 0.205 630 S HN 0.716 nan 8.310 nan 0.000 0.486 631 Y N 2.422 122.792 120.300 0.115 0.000 2.224 631 Y HA 0.094 4.644 4.550 -0.000 0.000 0.289 631 Y C 2.459 178.299 175.900 -0.099 0.000 1.146 631 Y CA 2.617 60.656 58.100 -0.101 0.000 1.182 631 Y CB -1.070 37.141 38.460 -0.415 0.000 0.983 631 Y HN 0.561 nan 8.280 nan 0.000 0.524 632 G N -0.884 107.978 108.800 0.103 0.000 2.462 632 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 632 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 632 G C 1.878 176.807 174.900 0.049 0.000 1.121 632 G CA 0.795 45.960 45.100 0.109 0.000 0.758 632 G HN 0.588 nan 8.290 nan 0.000 0.559 633 G N -0.069 108.771 108.800 0.066 0.000 2.404 633 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 633 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 633 G C 1.588 176.494 174.900 0.009 0.000 1.174 633 G CA 1.076 46.188 45.100 0.019 0.000 0.780 633 G HN 0.432 nan 8.290 nan 0.000 0.537 634 Y N 1.418 121.599 120.300 -0.198 0.000 2.114 634 Y HA -0.130 4.420 4.550 -0.000 0.000 0.284 634 Y C 2.761 178.540 175.900 -0.201 0.000 1.143 634 Y CA 1.709 59.636 58.100 -0.287 0.000 1.135 634 Y CB -0.599 37.524 38.460 -0.560 0.000 0.980 634 Y HN 0.016 nan 8.280 nan 0.000 0.499 635 V N 0.081 119.803 119.914 -0.319 0.000 2.324 635 V HA -0.369 3.751 4.120 -0.000 0.000 0.250 635 V C 2.336 178.300 176.094 -0.217 0.000 1.060 635 V CA 2.534 64.654 62.300 -0.301 0.000 1.042 635 V CB -1.170 30.647 31.823 -0.010 0.000 0.650 635 V HN 0.550 nan 8.190 nan 0.000 0.450 636 T N -0.545 113.940 114.554 -0.115 0.000 2.788 636 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 636 T C 2.130 176.785 174.700 -0.075 0.000 1.044 636 T CA 1.798 63.852 62.100 -0.077 0.000 1.139 636 T CB -0.187 68.701 68.868 0.034 0.000 0.867 636 T HN 0.532 nan 8.240 nan 0.000 0.454 637 S N 1.312 116.987 115.700 -0.042 0.000 2.338 637 S HA -0.038 4.432 4.470 -0.000 0.000 0.218 637 S C 2.183 176.715 174.600 -0.112 0.000 1.032 637 S CA 0.964 59.175 58.200 0.018 0.000 0.999 637 S CB -0.322 62.906 63.200 0.047 0.000 0.905 637 S HN 0.305 nan 8.310 nan 0.000 0.439 638 M N 1.149 120.581 119.600 -0.280 0.000 2.143 638 M HA -0.098 4.382 4.480 -0.000 0.000 0.258 638 M C 2.187 178.343 176.300 -0.240 0.000 1.071 638 M CA 1.213 56.331 55.300 -0.303 0.000 1.088 638 M CB -1.627 30.684 32.600 -0.482 0.000 1.360 638 M HN 0.172 nan 8.290 nan 0.000 0.404 639 V N 0.240 120.013 119.914 -0.234 0.000 2.379 639 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 639 V C 2.518 178.460 176.094 -0.253 0.000 1.044 639 V CA 1.202 63.382 62.300 -0.199 0.000 1.036 639 V CB -0.506 31.177 31.823 -0.233 0.000 0.664 639 V HN 0.411 nan 8.190 nan 0.000 0.453 640 L N 0.360 121.361 121.223 -0.369 0.000 2.191 640 L HA -0.054 4.286 4.340 -0.000 0.000 0.212 640 L C 2.136 178.428 176.870 -0.963 0.000 1.103 640 L CA 1.514 56.009 54.840 -0.575 0.000 0.769 640 L CB -0.699 40.994 42.059 -0.610 0.000 0.908 640 L HN 0.495 nan 8.230 nan 0.000 0.438 641 G N -1.444 106.820 108.800 -0.893 0.000 3.337 641 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.246 641 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.246 641 G C 1.406 176.123 174.900 -0.304 0.000 1.131 641 G CA 0.559 45.219 45.100 -0.734 0.000 0.773 641 G HN 0.411 nan 8.290 nan 0.000 0.544 642 S N -1.169 114.385 115.700 -0.244 0.000 2.486 642 S HA 0.351 4.821 4.470 -0.000 0.000 0.220 642 S C 1.966 176.510 174.600 -0.093 0.000 1.011 642 S CA 1.145 59.269 58.200 -0.127 0.000 0.921 642 S CB 0.114 63.262 63.200 -0.086 0.000 0.785 642 S HN 1.313 nan 8.310 nan 0.000 0.517 643 G N 1.362 110.097 108.800 -0.108 0.000 2.213 643 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.236 643 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.236 643 G C 1.229 176.102 174.900 -0.045 0.000 0.991 643 G CA 0.866 45.923 45.100 -0.071 0.000 0.629 643 G HN 1.388 nan 8.290 nan 0.000 0.517 644 S N 0.546 116.227 115.700 -0.032 0.000 2.421 644 S HA 0.069 4.539 4.470 -0.000 0.000 0.239 644 S C 2.929 177.503 174.600 -0.042 0.000 1.054 644 S CA 2.407 60.591 58.200 -0.027 0.000 1.035 644 S CB -0.841 62.359 63.200 0.001 0.000 0.840 644 S HN 2.622 nan 8.310 nan 0.000 0.475 645 G N -0.606 108.178 108.800 -0.027 0.000 2.189 645 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 645 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 645 G C 0.800 175.657 174.900 -0.071 0.000 0.975 645 G CA 0.560 45.640 45.100 -0.033 0.000 0.644 645 G HN 0.919 nan 8.290 nan 0.000 0.537 646 V N -0.787 119.047 119.914 -0.134 0.000 2.427 646 V HA 0.185 4.304 4.120 -0.000 0.000 0.248 646 V C 1.251 177.087 176.094 -0.430 0.000 1.051 646 V CA 1.619 63.705 62.300 -0.357 0.000 1.048 646 V CB -0.400 31.056 31.823 -0.611 0.000 0.666 646 V HN 0.310 nan 8.190 nan 0.000 0.456 647 F N -0.095 119.863 119.950 0.013 0.000 2.436 647 F HA 0.404 4.931 4.527 -0.000 0.000 0.340 647 F C 1.099 176.940 175.800 0.069 0.000 1.113 647 F CA -0.743 57.292 58.000 0.059 0.000 1.022 647 F CB 1.405 40.444 39.000 0.066 0.000 1.128 647 F HN -0.247 nan 8.300 nan 0.000 0.466 648 K N 1.841 122.411 120.400 0.284 0.000 2.155 648 K HA 0.016 4.336 4.320 -0.000 0.000 0.203 648 K C -0.077 176.653 176.600 0.218 0.000 1.052 648 K CA 1.146 57.561 56.287 0.212 0.000 0.948 648 K CB 0.158 32.796 32.500 0.230 0.000 0.728 648 K HN 0.815 nan 8.250 nan 0.000 0.448 649 c N -3.811 114.956 118.600 0.279 0.000 3.231 649 c HA 0.811 5.381 4.570 -0.000 0.000 0.343 649 c C -0.434 173.857 174.090 0.334 0.000 1.349 649 c CA -0.625 55.876 56.329 0.287 0.000 1.209 649 c CB 1.034 43.651 42.510 0.178 0.000 1.475 649 c HN 0.318 nan 8.230 nan 0.000 0.460 650 G N 0.026 109.093 108.800 0.444 0.000 2.673 650 G HA2 0.714 4.674 3.960 -0.000 0.000 0.292 650 G HA3 0.714 4.674 3.960 -0.000 0.000 0.292 650 G C -1.880 173.273 174.900 0.421 0.000 1.450 650 G CA -0.735 44.611 45.100 0.409 0.000 0.837 650 G HN 1.070 nan 8.290 nan 0.000 0.505 651 I N 0.892 121.672 120.570 0.350 0.000 2.406 651 I HA 0.619 4.789 4.170 -0.000 0.000 0.290 651 I C 0.285 176.530 176.117 0.213 0.000 0.999 651 I CA -0.943 60.450 61.300 0.156 0.000 1.124 651 I CB 2.079 40.156 38.000 0.128 0.000 1.289 651 I HN 0.616 nan 8.210 nan 0.000 0.441 652 A N 6.482 129.322 122.820 0.033 0.000 2.303 652 A HA 0.787 5.107 4.320 -0.000 0.000 0.320 652 A C -0.678 176.810 177.584 -0.160 0.000 1.192 652 A CA -0.516 51.532 52.037 0.018 0.000 0.821 652 A CB 1.241 20.302 19.000 0.102 0.000 1.188 652 A HN 0.464 nan 8.150 nan 0.000 0.492 653 V N 1.982 121.742 119.914 -0.258 0.000 2.417 653 V HA 0.583 4.703 4.120 -0.000 0.000 0.291 653 V C 0.861 176.524 176.094 -0.718 0.000 1.024 653 V CA 0.221 62.142 62.300 -0.631 0.000 0.861 653 V CB 0.844 31.968 31.823 -1.166 0.000 0.985 653 V HN 2.108 nan 8.190 nan 0.000 0.436 654 A N 5.785 128.168 122.820 -0.730 0.000 2.312 654 A HA -0.102 4.218 4.320 -0.000 0.000 0.286 654 A C -1.976 175.430 177.584 -0.296 0.000 1.425 654 A CA 0.283 51.796 52.037 -0.873 0.000 0.748 654 A CB -1.450 17.201 19.000 -0.581 0.000 1.126 654 A HN 0.594 nan 8.150 nan 0.000 0.368 655 P HA 0.428 nan 4.420 nan 0.000 0.282 655 P C 0.285 177.555 177.300 -0.049 0.000 1.249 655 P CA -0.266 62.802 63.100 -0.054 0.000 0.806 655 P CB 1.362 33.049 31.700 -0.020 0.000 0.984 656 V N 2.460 122.256 119.914 -0.197 0.000 2.843 656 V HA 0.060 4.180 4.120 -0.000 0.000 0.305 656 V C 1.677 177.572 176.094 -0.333 0.000 1.065 656 V CA 1.243 63.292 62.300 -0.418 0.000 1.116 656 V CB 0.688 31.906 31.823 -1.008 0.000 0.968 656 V HN 0.867 nan 8.190 nan 0.000 0.487 657 S N 3.039 118.547 115.700 -0.321 0.000 2.653 657 S HA 0.330 4.800 4.470 -0.000 0.000 0.259 657 S C 0.456 174.850 174.600 -0.344 0.000 1.076 657 S CA -0.429 57.657 58.200 -0.190 0.000 1.051 657 S CB 0.409 63.565 63.200 -0.073 0.000 0.994 657 S HN 0.647 nan 8.310 nan 0.000 0.552 658 R N -0.543 119.636 120.500 -0.535 0.000 2.508 658 R HA 0.337 4.677 4.340 -0.000 0.000 0.283 658 R C -1.122 174.845 176.300 -0.555 0.000 1.120 658 R CA -0.599 55.135 56.100 -0.611 0.000 0.958 658 R CB 0.789 30.570 30.300 -0.865 0.000 1.215 658 R HN 0.338 nan 8.270 nan 0.000 0.427 659 W N 1.902 123.097 121.300 -0.176 0.000 2.525 659 W HA -0.044 4.616 4.660 0.000 0.000 0.259 659 W C 1.178 177.815 176.519 0.197 0.000 1.253 659 W CA 0.316 57.659 57.345 -0.005 0.000 1.262 659 W CB 0.470 29.871 29.460 -0.099 0.000 1.122 659 W HN 0.667 nan 8.180 nan 0.000 0.607 660 E N -1.124 119.217 120.200 0.236 0.000 2.427 660 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 660 E C 1.272 178.025 176.600 0.255 0.000 1.028 660 E CA 0.815 57.318 56.400 0.171 0.000 0.864 660 E CB -0.233 29.470 29.700 0.005 0.000 0.813 660 E HN 0.336 nan 8.360 nan 0.000 0.514 661 Y N -1.241 119.147 120.300 0.146 0.000 2.397 661 Y HA 0.066 4.616 4.550 -0.000 0.000 0.292 661 Y C 0.885 176.872 175.900 0.146 0.000 1.115 661 Y CA -0.421 57.733 58.100 0.090 0.000 1.208 661 Y CB -0.632 37.828 38.460 -0.001 0.000 1.046 661 Y HN 0.026 nan 8.280 nan 0.000 0.552 662 Y N 2.302 122.744 120.300 0.236 0.000 2.260 662 Y HA 0.189 4.738 4.550 -0.000 0.000 0.339 662 Y C 0.572 176.684 175.900 0.353 0.000 1.317 662 Y CA -1.429 56.824 58.100 0.256 0.000 1.514 662 Y CB 0.158 38.823 38.460 0.342 0.000 1.382 662 Y HN 0.232 nan 8.280 nan 0.000 0.581 663 D N -0.870 119.329 120.400 -0.335 0.000 2.358 663 D HA 0.127 4.767 4.640 -0.000 0.000 0.244 663 D C 0.839 177.139 176.300 0.000 0.000 1.163 663 D CA 0.247 54.099 54.000 -0.248 0.000 0.945 663 D CB 0.920 41.318 40.800 -0.670 0.000 1.152 663 D HN 0.439 nan 8.370 nan 0.000 0.451 664 S N 0.622 116.317 115.700 -0.007 0.000 2.371 664 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 664 S C 1.885 176.510 174.600 0.040 0.000 1.029 664 S CA 0.833 59.076 58.200 0.071 0.000 0.978 664 S CB -0.764 62.482 63.200 0.077 0.000 0.833 664 S HN 0.394 nan 8.310 nan 0.000 0.466 665 V N 0.758 120.629 119.914 -0.072 0.000 2.307 665 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 665 V C 2.260 178.286 176.094 -0.113 0.000 1.045 665 V CA 2.056 64.227 62.300 -0.214 0.000 1.024 665 V CB -0.900 30.637 31.823 -0.477 0.000 0.651 665 V HN 0.598 nan 8.190 nan 0.000 0.449 666 Y N 1.239 121.502 120.300 -0.061 0.000 2.109 666 Y HA -0.243 4.307 4.550 -0.000 0.000 0.285 666 Y C 2.722 178.673 175.900 0.084 0.000 1.131 666 Y CA 2.432 60.590 58.100 0.097 0.000 1.121 666 Y CB -0.587 38.117 38.460 0.406 0.000 0.987 666 Y HN 0.237 nan 8.280 nan 0.000 0.495 667 T N 0.410 115.196 114.554 0.386 0.000 2.622 667 T HA -0.216 4.134 4.350 -0.000 0.000 0.266 667 T C 1.556 176.257 174.700 0.000 0.000 1.047 667 T CA 1.981 64.220 62.100 0.232 0.000 1.159 667 T CB -0.396 68.727 68.868 0.424 0.000 0.863 667 T HN 0.443 nan 8.240 nan 0.000 0.422 668 E N 0.632 120.858 120.200 0.043 0.000 2.204 668 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 668 E C 2.317 178.810 176.600 -0.179 0.000 0.990 668 E CA 0.567 56.974 56.400 0.012 0.000 0.821 668 E CB -0.161 29.585 29.700 0.077 0.000 0.750 668 E HN 0.344 nan 8.360 nan 0.000 0.477 669 R N 0.136 120.390 120.500 -0.410 0.000 2.105 669 R HA -0.195 4.145 4.340 -0.000 0.000 0.239 669 R C 1.222 176.958 176.300 -0.940 0.000 1.135 669 R CA 1.618 57.261 56.100 -0.763 0.000 0.967 669 R CB -0.006 29.545 30.300 -1.249 0.000 0.861 669 R HN 0.258 nan 8.270 nan 0.000 0.442 670 Y N -2.359 117.601 120.300 -0.568 0.000 2.498 670 Y HA 0.225 4.775 4.550 -0.000 0.000 0.259 670 Y C 1.686 177.370 175.900 -0.361 0.000 1.086 670 Y CA -0.061 57.684 58.100 -0.593 0.000 1.287 670 Y CB 0.472 38.474 38.460 -0.764 0.000 1.146 670 Y HN -0.046 nan 8.280 nan 0.000 0.523 671 M N -0.324 119.162 119.600 -0.190 0.000 2.337 671 M HA 0.367 4.847 4.480 -0.000 0.000 0.256 671 M C 1.079 177.382 176.300 0.005 0.000 1.075 671 M CA 0.776 55.955 55.300 -0.201 0.000 1.024 671 M CB -0.269 32.004 32.600 -0.545 0.000 1.429 671 M HN 0.338 nan 8.290 nan 0.000 0.497 672 G N 1.982 110.803 108.800 0.034 0.000 2.645 672 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.246 672 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.246 672 G C -0.445 174.587 174.900 0.220 0.000 1.322 672 G CA -0.703 44.458 45.100 0.102 0.000 0.898 672 G HN 0.358 nan 8.290 nan 0.000 0.573 673 L N 1.747 123.068 121.223 0.164 0.000 2.357 673 L HA 0.445 4.785 4.340 -0.000 0.000 0.273 673 L C -1.469 175.430 176.870 0.048 0.000 1.080 673 L CA -1.734 53.166 54.840 0.100 0.000 0.803 673 L CB 1.774 43.854 42.059 0.035 0.000 1.174 673 L HN 0.450 nan 8.230 nan 0.000 0.443 674 P HA 0.095 nan 4.420 nan 0.000 0.212 674 P C -0.602 176.563 177.300 -0.225 0.000 1.816 674 P CA -0.135 62.607 63.100 -0.597 0.000 0.944 674 P CB -0.248 30.809 31.700 -1.073 0.000 1.896 675 T N -2.984 111.523 114.554 -0.079 0.000 2.924 675 T HA 0.488 4.838 4.350 -0.000 0.000 0.291 675 T C -2.276 172.426 174.700 0.003 0.000 1.045 675 T CA -2.502 59.577 62.100 -0.035 0.000 1.015 675 T CB 1.784 70.640 68.868 -0.020 0.000 1.103 675 T HN -0.301 nan 8.240 nan 0.000 0.496 676 P HA -0.066 nan 4.420 nan 0.000 0.218 676 P C 0.891 178.207 177.300 0.027 0.000 1.148 676 P CA 1.100 64.212 63.100 0.020 0.000 0.822 676 P CB 0.050 31.757 31.700 0.012 0.000 0.784 677 E N -1.364 118.848 120.200 0.020 0.000 2.285 677 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 677 E C 1.464 178.083 176.600 0.032 0.000 0.997 677 E CA 0.823 57.236 56.400 0.022 0.000 0.845 677 E CB -0.412 29.295 29.700 0.013 0.000 0.782 677 E HN 0.284 nan 8.360 nan 0.000 0.491 678 D N -0.518 119.907 120.400 0.042 0.000 2.818 678 D HA 0.068 4.708 4.640 -0.000 0.000 0.250 678 D C 0.386 176.743 176.300 0.096 0.000 1.496 678 D CA 0.295 54.332 54.000 0.062 0.000 1.192 678 D CB 0.103 40.941 40.800 0.064 0.000 0.963 678 D HN -0.048 nan 8.370 nan 0.000 0.259 679 N N 0.313 119.105 118.700 0.153 0.000 2.305 679 N HA 0.145 4.885 4.740 -0.000 0.000 0.248 679 N C 1.183 176.905 175.510 0.353 0.000 1.290 679 N CA -0.108 53.083 53.050 0.236 0.000 0.873 679 N CB 0.283 38.924 38.487 0.256 0.000 1.261 679 N HN 0.142 nan 8.380 nan 0.000 0.504 680 L N -0.017 121.329 121.223 0.205 0.000 2.021 680 L HA -0.240 4.100 4.340 -0.000 0.000 0.215 680 L C 0.990 177.977 176.870 0.195 0.000 1.074 680 L CA 1.781 56.712 54.840 0.152 0.000 0.760 680 L CB -0.129 41.958 42.059 0.048 0.000 0.889 680 L HN 0.242 nan 8.230 nan 0.000 0.433 681 D N -1.308 119.185 120.400 0.154 0.000 2.116 681 D HA -0.277 4.363 4.640 -0.000 0.000 0.193 681 D C 1.978 178.368 176.300 0.151 0.000 0.998 681 D CA 1.773 55.850 54.000 0.128 0.000 0.836 681 D CB -0.230 40.634 40.800 0.107 0.000 0.951 681 D HN 0.504 nan 8.370 nan 0.000 0.449 682 H N -1.049 118.087 119.070 0.110 0.000 2.470 682 H HA -0.032 4.524 4.556 -0.000 0.000 0.289 682 H C 1.725 177.106 175.328 0.089 0.000 1.033 682 H CA 0.992 57.080 56.048 0.066 0.000 1.331 682 H CB -0.181 29.583 29.762 0.004 0.000 1.414 682 H HN 0.121 nan 8.280 nan 0.000 0.545 683 Y N 0.260 120.583 120.300 0.039 0.000 2.114 683 Y HA -0.239 4.311 4.550 -0.000 0.000 0.282 683 Y C 2.468 178.341 175.900 -0.045 0.000 1.165 683 Y CA 1.717 59.837 58.100 0.034 0.000 1.148 683 Y CB -0.029 38.468 38.460 0.062 0.000 0.972 683 Y HN 0.084 nan 8.280 nan 0.000 0.504 684 R N -0.118 120.459 120.500 0.128 0.000 2.115 684 R HA -0.092 4.248 4.340 -0.000 0.000 0.226 684 R C 1.701 177.985 176.300 -0.027 0.000 1.100 684 R CA 1.213 57.336 56.100 0.039 0.000 0.980 684 R CB -0.634 29.692 30.300 0.043 0.000 0.875 684 R HN 0.279 nan 8.270 nan 0.000 0.445 685 N N -0.766 117.884 118.700 -0.083 0.000 2.463 685 N HA -0.049 4.691 4.740 -0.000 0.000 0.181 685 N C -0.088 175.321 175.510 -0.169 0.000 1.078 685 N CA 0.866 53.847 53.050 -0.114 0.000 0.902 685 N CB 0.332 38.762 38.487 -0.095 0.000 0.970 685 N HN 0.143 nan 8.380 nan 0.000 0.451 686 S N -1.325 114.240 115.700 -0.225 0.000 2.624 686 S HA 0.140 4.610 4.470 -0.000 0.000 0.246 686 S C 0.237 174.852 174.600 0.025 0.000 1.072 686 S CA -0.770 57.360 58.200 -0.117 0.000 1.045 686 S CB -0.551 62.533 63.200 -0.194 0.000 0.851 686 S HN 0.174 nan 8.310 nan 0.000 0.480 687 T N -1.269 113.263 114.554 -0.036 0.000 2.910 687 T HA 0.474 4.824 4.350 -0.000 0.000 0.293 687 T C 1.316 176.000 174.700 -0.025 0.000 1.015 687 T CA -0.597 61.469 62.100 -0.057 0.000 1.094 687 T CB 1.317 70.133 68.868 -0.086 0.000 0.968 687 T HN -0.012 nan 8.240 nan 0.000 0.521 688 V N 2.389 122.287 119.914 -0.026 0.000 2.453 688 V HA -0.108 4.012 4.120 -0.000 0.000 0.247 688 V C 2.603 178.670 176.094 -0.045 0.000 1.048 688 V CA 1.483 63.762 62.300 -0.035 0.000 1.049 688 V CB -0.924 30.872 31.823 -0.045 0.000 0.672 688 V HN 0.835 nan 8.190 nan 0.000 0.457 689 M N 1.143 120.704 119.600 -0.066 0.000 2.195 689 M HA -0.163 4.317 4.480 -0.000 0.000 0.260 689 M C 2.294 178.571 176.300 -0.038 0.000 1.066 689 M CA 2.112 57.371 55.300 -0.068 0.000 1.089 689 M CB -0.883 31.685 32.600 -0.053 0.000 1.377 689 M HN 0.531 nan 8.290 nan 0.000 0.411 690 S N -0.527 115.157 115.700 -0.026 0.000 2.515 690 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 690 S C 1.672 176.274 174.600 0.003 0.000 0.987 690 S CA 0.497 58.689 58.200 -0.013 0.000 0.936 690 S CB -0.342 62.848 63.200 -0.018 0.000 0.766 690 S HN 0.530 nan 8.310 nan 0.000 0.528 691 R N 0.269 120.781 120.500 0.020 0.000 2.468 691 R HA 0.454 4.794 4.340 -0.000 0.000 0.280 691 R C 1.970 178.355 176.300 0.142 0.000 0.963 691 R CA 0.417 56.547 56.100 0.051 0.000 1.083 691 R CB -0.072 30.248 30.300 0.034 0.000 1.200 691 R HN 0.473 nan 8.270 nan 0.000 0.541 692 A N 1.666 124.541 122.820 0.092 0.000 1.908 692 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 692 A C 1.809 179.491 177.584 0.164 0.000 1.181 692 A CA 1.255 53.346 52.037 0.090 0.000 0.627 692 A CB -0.078 18.900 19.000 -0.036 0.000 0.818 692 A HN 0.205 nan 8.150 nan 0.000 0.445 693 E N 0.505 120.764 120.200 0.098 0.000 2.058 693 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 693 E C 1.482 178.138 176.600 0.095 0.000 0.997 693 E CA 1.239 57.689 56.400 0.083 0.000 0.801 693 E CB -0.534 29.194 29.700 0.046 0.000 0.746 693 E HN 0.604 nan 8.360 nan 0.000 0.450 694 N N 0.492 119.229 118.700 0.061 0.000 2.417 694 N HA -0.142 4.598 4.740 -0.000 0.000 0.187 694 N C 1.372 176.842 175.510 -0.065 0.000 1.027 694 N CA 0.642 53.675 53.050 -0.027 0.000 0.891 694 N CB -0.367 38.057 38.487 -0.106 0.000 0.956 694 N HN 0.154 nan 8.380 nan 0.000 0.442 695 F N 1.381 121.292 119.950 -0.065 0.000 2.771 695 F HA 0.045 4.572 4.527 -0.000 0.000 0.299 695 F C 1.872 177.680 175.800 0.014 0.000 1.177 695 F CA 0.514 58.472 58.000 -0.069 0.000 1.450 695 F CB 0.106 39.020 39.000 -0.145 0.000 1.114 695 F HN -0.034 nan 8.300 nan 0.000 0.587 696 K N -0.122 120.372 120.400 0.157 0.000 2.288 696 K HA -0.139 4.181 4.320 -0.000 0.000 0.201 696 K C 1.601 178.259 176.600 0.097 0.000 1.048 696 K CA 0.950 57.314 56.287 0.129 0.000 0.956 696 K CB -0.181 32.374 32.500 0.092 0.000 0.746 696 K HN 0.413 nan 8.250 nan 0.000 0.461 697 Q N 0.661 120.493 119.800 0.054 0.000 2.432 697 Q HA 0.008 4.348 4.340 -0.000 0.000 0.205 697 Q C 0.625 176.658 176.000 0.054 0.000 0.945 697 Q CA 0.366 56.190 55.803 0.034 0.000 0.924 697 Q CB 0.277 29.012 28.738 -0.005 0.000 1.016 697 Q HN 0.168 nan 8.270 nan 0.000 0.503 698 V N -2.848 117.114 119.914 0.081 0.000 3.102 698 V HA 0.480 4.600 4.120 -0.000 0.000 0.312 698 V C -1.235 174.999 176.094 0.234 0.000 1.135 698 V CA -1.334 61.042 62.300 0.127 0.000 1.022 698 V CB 2.305 34.164 31.823 0.061 0.000 1.056 698 V HN -0.037 nan 8.190 nan 0.000 0.436 699 E N 1.474 121.840 120.200 0.277 0.000 2.197 699 E HA 0.527 4.877 4.350 -0.000 0.000 0.281 699 E C -1.850 175.105 176.600 0.591 0.000 0.995 699 E CA -0.391 56.242 56.400 0.389 0.000 0.808 699 E CB 1.871 31.742 29.700 0.284 0.000 1.093 699 E HN 0.694 nan 8.360 nan 0.000 0.394 700 Y N 3.107 123.661 120.300 0.423 0.000 2.406 700 Y HA 0.449 4.999 4.550 -0.000 0.000 0.340 700 Y C -1.840 174.151 175.900 0.152 0.000 0.975 700 Y CA -1.487 56.808 58.100 0.324 0.000 1.056 700 Y CB 1.137 39.809 38.460 0.353 0.000 1.210 700 Y HN 0.449 nan 8.280 nan 0.000 0.448 701 L N 7.497 128.463 121.223 -0.428 0.000 2.333 701 L HA 0.683 5.023 4.340 -0.000 0.000 0.280 701 L C -2.156 174.287 176.870 -0.712 0.000 1.004 701 L CA -0.816 53.640 54.840 -0.641 0.000 0.820 701 L CB 1.468 42.860 42.059 -1.112 0.000 1.247 701 L HN 0.639 nan 8.230 nan 0.000 0.416 702 L N 6.597 127.500 121.223 -0.534 0.000 2.325 702 L HA 0.700 5.040 4.340 -0.000 0.000 0.281 702 L C -1.275 175.471 176.870 -0.207 0.000 1.004 702 L CA -0.063 54.496 54.840 -0.468 0.000 0.823 702 L CB 1.252 43.033 42.059 -0.464 0.000 1.236 702 L HN 0.592 nan 8.230 nan 0.000 0.415 703 I N 4.578 125.034 120.570 -0.189 0.000 2.498 703 I HA 0.461 4.631 4.170 -0.000 0.000 0.290 703 I C -1.138 174.952 176.117 -0.046 0.000 1.032 703 I CA -0.660 60.589 61.300 -0.086 0.000 1.073 703 I CB 1.978 39.901 38.000 -0.129 0.000 1.251 703 I HN 0.687 nan 8.210 nan 0.000 0.426 704 H N 2.367 121.483 119.070 0.077 0.000 3.038 704 H HA 0.501 5.057 4.556 -0.000 0.000 0.362 704 H C -0.288 175.287 175.328 0.411 0.000 1.167 704 H CA -0.595 55.544 56.048 0.152 0.000 1.197 704 H CB 2.119 31.861 29.762 -0.032 0.000 1.840 704 H HN 0.746 nan 8.280 nan 0.000 0.540 705 G N 0.779 109.946 108.800 0.613 0.000 2.390 705 G HA2 0.206 4.166 3.960 -0.000 0.000 0.270 705 G HA3 0.206 4.166 3.960 -0.000 0.000 0.270 705 G C 1.071 176.282 174.900 0.518 0.000 1.211 705 G CA 0.097 45.515 45.100 0.530 0.000 0.842 705 G HN 0.745 nan 8.290 nan 0.000 0.519 706 T N -0.848 113.892 114.554 0.311 0.000 3.035 706 T HA 0.137 4.487 4.350 -0.000 0.000 0.268 706 T C 1.546 176.272 174.700 0.042 0.000 1.109 706 T CA 1.106 63.205 62.100 -0.003 0.000 1.119 706 T CB 0.244 69.064 68.868 -0.081 0.000 0.900 706 T HN 0.697 nan 8.240 nan 0.000 0.503 707 A N 1.039 123.962 122.820 0.171 0.000 2.713 707 A HA 0.343 4.663 4.320 -0.000 0.000 0.296 707 A C 0.216 177.842 177.584 0.071 0.000 1.255 707 A CA -0.557 51.587 52.037 0.178 0.000 0.955 707 A CB -0.178 19.115 19.000 0.489 0.000 1.149 707 A HN 0.320 nan 8.150 nan 0.000 0.538 708 D N 1.556 121.983 120.400 0.044 0.000 2.338 708 D HA 0.007 4.647 4.640 -0.000 0.000 0.255 708 D C 0.464 176.732 176.300 -0.053 0.000 1.237 708 D CA 0.099 54.201 54.000 0.169 0.000 0.883 708 D CB 0.723 41.770 40.800 0.412 0.000 1.087 708 D HN 0.577 nan 8.370 nan 0.000 0.485 709 D N 2.325 122.750 120.400 0.041 0.000 2.347 709 D HA -0.137 4.503 4.640 -0.000 0.000 0.213 709 D C 0.867 177.142 176.300 -0.042 0.000 0.985 709 D CA -0.020 53.937 54.000 -0.071 0.000 0.879 709 D CB 0.494 41.235 40.800 -0.097 0.000 0.919 709 D HN 0.222 nan 8.370 nan 0.000 0.526 710 N N 0.745 119.516 118.700 0.118 0.000 2.530 710 N HA -0.042 4.698 4.740 -0.000 0.000 0.216 710 N C -0.105 175.370 175.510 -0.059 0.000 1.031 710 N CA 0.450 53.597 53.050 0.161 0.000 1.063 710 N CB 0.506 39.126 38.487 0.223 0.000 1.346 710 N HN -0.108 nan 8.380 nan 0.000 0.515 711 V N 3.112 123.017 119.914 -0.016 0.000 2.304 711 V HA 0.231 4.351 4.120 -0.000 0.000 0.269 711 V C -0.522 175.654 176.094 0.136 0.000 1.036 711 V CA -0.468 61.854 62.300 0.037 0.000 0.840 711 V CB -0.253 31.630 31.823 0.101 0.000 1.036 711 V HN 0.290 nan 8.190 nan 0.000 0.466 712 H N 3.255 122.313 119.070 -0.020 0.000 2.871 712 H HA 0.016 4.572 4.556 -0.000 0.000 0.355 712 H C 0.787 175.956 175.328 -0.264 0.000 1.092 712 H CA -0.128 55.819 56.048 -0.169 0.000 1.420 712 H CB 0.863 30.440 29.762 -0.308 0.000 1.400 712 H HN 0.620 nan 8.280 nan 0.000 0.604 713 F N 1.913 121.634 119.950 -0.382 0.000 2.154 713 F HA -0.322 4.205 4.527 -0.000 0.000 0.301 713 F C 2.644 178.182 175.800 -0.438 0.000 1.087 713 F CA 1.839 59.433 58.000 -0.676 0.000 1.274 713 F CB -0.174 38.604 39.000 -0.369 0.000 1.009 713 F HN 0.685 nan 8.300 nan 0.000 0.485 714 Q N 0.192 119.912 119.800 -0.134 0.000 2.124 714 Q HA -0.367 3.973 4.340 -0.000 0.000 0.215 714 Q C 2.106 177.920 176.000 -0.311 0.000 1.015 714 Q CA 2.715 58.374 55.803 -0.239 0.000 0.890 714 Q CB -0.449 28.085 28.738 -0.341 0.000 0.966 714 Q HN 0.592 nan 8.270 nan 0.000 0.412 715 Q N -0.473 119.177 119.800 -0.249 0.000 2.096 715 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 715 Q C 2.268 178.176 176.000 -0.154 0.000 0.982 715 Q CA 1.705 57.466 55.803 -0.071 0.000 0.850 715 Q CB -0.139 28.619 28.738 0.033 0.000 0.901 715 Q HN 0.328 nan 8.270 nan 0.000 0.422 716 S N 0.482 115.967 115.700 -0.359 0.000 2.436 716 S HA 0.029 4.499 4.470 -0.000 0.000 0.228 716 S C 1.981 176.325 174.600 -0.427 0.000 1.014 716 S CA 0.646 58.627 58.200 -0.365 0.000 0.950 716 S CB -0.019 62.945 63.200 -0.394 0.000 0.784 716 S HN 0.463 nan 8.310 nan 0.000 0.504 717 A N 1.135 123.645 122.820 -0.516 0.000 1.969 717 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 717 A C 2.105 179.611 177.584 -0.130 0.000 1.169 717 A CA 1.013 52.895 52.037 -0.258 0.000 0.635 717 A CB -0.302 18.638 19.000 -0.099 0.000 0.810 717 A HN 0.355 nan 8.150 nan 0.000 0.445 718 Q N -0.583 119.146 119.800 -0.119 0.000 2.212 718 Q HA 0.061 4.401 4.340 -0.000 0.000 0.199 718 Q C 2.075 178.031 176.000 -0.073 0.000 0.950 718 Q CA 0.747 56.524 55.803 -0.043 0.000 0.863 718 Q CB -0.231 28.547 28.738 0.066 0.000 0.944 718 Q HN 0.761 nan 8.270 nan 0.000 0.465 719 I N 1.254 121.751 120.570 -0.121 0.000 2.142 719 I HA -0.301 3.869 4.170 -0.000 0.000 0.240 719 I C 2.535 178.499 176.117 -0.254 0.000 1.078 719 I CA 1.608 62.794 61.300 -0.191 0.000 1.343 719 I CB -0.390 37.493 38.000 -0.195 0.000 1.046 719 I HN 0.187 nan 8.210 nan 0.000 0.405 720 S N 0.698 116.268 115.700 -0.216 0.000 2.382 720 S HA -0.282 4.188 4.470 -0.000 0.000 0.228 720 S C 2.014 176.610 174.600 -0.007 0.000 1.027 720 S CA 1.489 59.597 58.200 -0.153 0.000 0.991 720 S CB -0.475 62.803 63.200 0.129 0.000 0.823 720 S HN 0.365 nan 8.310 nan 0.000 0.469 721 K N 1.705 122.096 120.400 -0.014 0.000 2.097 721 K HA 0.028 4.348 4.320 -0.000 0.000 0.206 721 K C 2.207 178.803 176.600 -0.008 0.000 1.049 721 K CA 1.152 57.445 56.287 0.011 0.000 0.933 721 K CB -0.630 31.870 32.500 0.001 0.000 0.717 721 K HN 0.472 nan 8.250 nan 0.000 0.442 722 A N 0.706 123.491 122.820 -0.059 0.000 1.968 722 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 722 A C 1.992 179.532 177.584 -0.073 0.000 1.169 722 A CA 0.957 52.954 52.037 -0.066 0.000 0.638 722 A CB -0.380 18.561 19.000 -0.098 0.000 0.812 722 A HN 0.303 nan 8.150 nan 0.000 0.446 723 L N -0.831 120.316 121.223 -0.126 0.000 2.179 723 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 723 L C 2.380 179.324 176.870 0.124 0.000 1.096 723 L CA 0.682 55.469 54.840 -0.088 0.000 0.779 723 L CB -0.347 41.477 42.059 -0.392 0.000 0.922 723 L HN 0.235 nan 8.230 nan 0.000 0.443 724 V N -0.535 119.477 119.914 0.162 0.000 2.488 724 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 724 V C 1.944 178.087 176.094 0.081 0.000 1.046 724 V CA 1.491 63.882 62.300 0.152 0.000 1.053 724 V CB -0.360 31.546 31.823 0.138 0.000 0.679 724 V HN 0.359 nan 8.190 nan 0.000 0.458 725 D N -0.348 120.083 120.400 0.053 0.000 2.218 725 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 725 D C 1.629 177.950 176.300 0.035 0.000 0.976 725 D CA 1.091 55.111 54.000 0.035 0.000 0.853 725 D CB 0.128 40.940 40.800 0.020 0.000 0.939 725 D HN 0.331 nan 8.370 nan 0.000 0.481 726 V N -0.827 119.111 119.914 0.040 0.000 3.319 726 V HA 0.307 4.427 4.120 -0.000 0.000 0.317 726 V C 1.016 177.145 176.094 0.059 0.000 1.411 726 V CA 0.703 63.028 62.300 0.042 0.000 1.112 726 V CB 0.182 32.025 31.823 0.034 0.000 1.031 726 V HN 0.351 nan 8.190 nan 0.000 0.448 727 G N 0.699 109.541 108.800 0.071 0.000 2.160 727 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.251 727 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.251 727 G C 0.132 175.096 174.900 0.106 0.000 1.008 727 G CA 0.378 45.525 45.100 0.079 0.000 0.724 727 G HN 0.555 nan 8.290 nan 0.000 0.514 728 V N 0.628 120.627 119.914 0.142 0.000 2.432 728 V HA 0.472 4.592 4.120 -0.000 0.000 0.275 728 V C 0.502 176.774 176.094 0.297 0.000 1.043 728 V CA -0.284 62.133 62.300 0.194 0.000 0.925 728 V CB 1.680 33.610 31.823 0.178 0.000 0.985 728 V HN 0.419 nan 8.190 nan 0.000 0.466 729 D N 3.773 124.324 120.400 0.252 0.000 2.283 729 D HA 0.667 5.307 4.640 -0.000 0.000 0.248 729 D C -0.593 175.932 176.300 0.376 0.000 1.072 729 D CA 0.065 54.189 54.000 0.208 0.000 0.929 729 D CB 1.009 41.873 40.800 0.107 0.000 1.182 729 D HN 0.369 nan 8.370 nan 0.000 0.433 730 F N -0.897 119.121 119.950 0.113 0.000 2.858 730 F HA 0.398 4.925 4.527 0.000 0.000 0.319 730 F C -1.749 174.095 175.800 0.073 0.000 1.166 730 F CA -1.121 56.965 58.000 0.142 0.000 0.899 730 F CB 0.704 39.817 39.000 0.187 0.000 1.332 730 F HN 0.145 nan 8.300 nan 0.000 0.461 731 Q N 1.415 121.324 119.800 0.181 0.000 2.266 731 Q HA 0.822 5.162 4.340 -0.000 0.000 0.261 731 Q C -0.871 175.161 176.000 0.055 0.000 0.985 731 Q CA -0.910 54.901 55.803 0.013 0.000 0.873 731 Q CB 2.344 31.092 28.738 0.017 0.000 1.306 731 Q HN 1.026 nan 8.270 nan 0.000 0.447 732 A N 1.861 124.679 122.820 -0.003 0.000 2.527 732 A HA 0.880 5.200 4.320 -0.000 0.000 0.293 732 A C -1.257 176.301 177.584 -0.042 0.000 1.117 732 A CA -0.632 51.428 52.037 0.037 0.000 0.723 732 A CB 2.053 21.145 19.000 0.154 0.000 1.313 732 A HN 0.672 nan 8.150 nan 0.000 0.411 733 M N 0.913 120.470 119.600 -0.070 0.000 2.296 733 M HA 0.532 5.012 4.480 -0.000 0.000 0.268 733 M C -2.032 174.163 176.300 -0.175 0.000 1.048 733 M CA -0.333 54.788 55.300 -0.299 0.000 0.966 733 M CB 0.942 33.261 32.600 -0.469 0.000 1.912 733 M HN 0.995 nan 8.290 nan 0.000 0.484 734 W N 4.092 125.269 121.300 -0.206 0.000 2.448 734 W HA 0.776 5.436 4.660 -0.000 0.000 0.339 734 W C -1.945 174.363 176.519 -0.352 0.000 1.124 734 W CA -0.760 56.559 57.345 -0.044 0.000 1.262 734 W CB 0.360 29.872 29.460 0.087 0.000 1.251 734 W HN 0.612 nan 8.180 nan 0.000 0.597 735 Y N 2.191 122.644 120.300 0.254 0.000 2.388 735 Y HA 0.294 4.844 4.550 -0.000 0.000 0.328 735 Y C 0.467 176.501 175.900 0.223 0.000 0.963 735 Y CA -1.046 57.115 58.100 0.101 0.000 1.240 735 Y CB 1.314 39.811 38.460 0.062 0.000 1.118 735 Y HN 0.411 nan 8.280 nan 0.000 0.484 736 T N 4.676 119.400 114.554 0.283 0.000 2.831 736 T HA -0.008 4.342 4.350 -0.000 0.000 0.291 736 T C 0.146 174.937 174.700 0.153 0.000 0.981 736 T CA 0.593 62.830 62.100 0.228 0.000 1.174 736 T CB -0.142 68.796 68.868 0.116 0.000 0.929 736 T HN 0.700 nan 8.240 nan 0.000 0.532 737 D N 0.873 121.350 120.400 0.128 0.000 3.079 737 D HA -0.120 4.520 4.640 -0.000 0.000 0.214 737 D C 0.323 176.745 176.300 0.203 0.000 1.145 737 D CA 1.118 55.124 54.000 0.010 0.000 0.958 737 D CB -0.373 40.247 40.800 -0.301 0.000 1.117 737 D HN 0.551 nan 8.370 nan 0.000 0.416 738 E N 0.729 121.084 120.200 0.258 0.000 2.318 738 E HA 0.391 4.741 4.350 -0.000 0.000 0.265 738 E C 0.733 177.531 176.600 0.330 0.000 1.069 738 E CA -0.252 56.320 56.400 0.287 0.000 0.893 738 E CB 1.177 31.037 29.700 0.268 0.000 1.076 738 E HN 0.347 nan 8.360 nan 0.000 0.414 739 D N -1.075 119.529 120.400 0.339 0.000 2.570 739 D HA 0.033 4.673 4.640 -0.000 0.000 0.266 739 D C 1.082 177.627 176.300 0.408 0.000 1.182 739 D CA -0.267 53.958 54.000 0.375 0.000 1.088 739 D CB -0.229 40.814 40.800 0.405 0.000 1.186 739 D HN 0.398 nan 8.370 nan 0.000 0.618 740 H N -1.279 117.985 119.070 0.323 0.000 2.387 740 H HA 0.041 4.597 4.556 -0.000 0.000 0.299 740 H C 1.966 177.558 175.328 0.440 0.000 1.099 740 H CA 2.437 58.700 56.048 0.359 0.000 1.315 740 H CB -0.500 29.458 29.762 0.326 0.000 1.380 740 H HN 0.496 nan 8.280 nan 0.000 0.513 741 G N -0.100 108.883 108.800 0.304 0.000 2.572 741 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.216 741 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.216 741 G C 0.659 175.715 174.900 0.259 0.000 1.133 741 G CA 0.329 45.517 45.100 0.146 0.000 0.791 741 G HN 0.549 nan 8.290 nan 0.000 0.538 742 I N 0.070 120.835 120.570 0.323 0.000 5.071 742 I HA -0.329 3.841 4.170 -0.000 0.000 0.126 742 I C 1.510 177.751 176.117 0.207 0.000 1.290 742 I CA 0.203 61.651 61.300 0.248 0.000 2.644 742 I CB -1.124 36.999 38.000 0.205 0.000 2.208 742 I HN 0.274 nan 8.210 nan 0.000 0.322 743 A N 1.530 124.448 122.820 0.163 0.000 2.390 743 A HA 0.256 4.576 4.320 -0.000 0.000 0.232 743 A C 1.149 178.781 177.584 0.079 0.000 1.233 743 A CA 0.545 52.643 52.037 0.102 0.000 0.907 743 A CB 0.188 19.215 19.000 0.045 0.000 0.967 743 A HN 0.641 nan 8.150 nan 0.000 0.512 744 S N 0.688 116.453 115.700 0.107 0.000 2.552 744 S HA 0.146 4.616 4.470 -0.000 0.000 0.289 744 S C 1.346 176.002 174.600 0.093 0.000 1.304 744 S CA 0.308 58.564 58.200 0.093 0.000 1.063 744 S CB 0.968 64.231 63.200 0.105 0.000 0.848 744 S HN 1.003 nan 8.310 nan 0.000 0.499 745 S N 2.598 118.337 115.700 0.064 0.000 2.374 745 S HA -0.235 4.235 4.470 -0.000 0.000 0.227 745 S C 1.968 176.631 174.600 0.104 0.000 1.037 745 S CA 1.902 60.142 58.200 0.066 0.000 1.024 745 S CB -1.902 61.316 63.200 0.029 0.000 0.861 745 S HN 1.124 nan 8.310 nan 0.000 0.456 746 T N -0.233 114.372 114.554 0.084 0.000 2.777 746 T HA 0.216 4.566 4.350 -0.000 0.000 0.266 746 T C 2.047 176.810 174.700 0.105 0.000 1.040 746 T CA 1.218 63.370 62.100 0.087 0.000 1.141 746 T CB -1.002 67.906 68.868 0.066 0.000 0.868 746 T HN 0.618 nan 8.240 nan 0.000 0.444 747 A N 1.399 124.270 122.820 0.085 0.000 1.898 747 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 747 A C 2.192 179.761 177.584 -0.024 0.000 1.181 747 A CA 2.000 54.038 52.037 0.002 0.000 0.620 747 A CB -1.299 17.680 19.000 -0.035 0.000 0.819 747 A HN 0.739 nan 8.150 nan 0.000 0.442 748 H N 0.077 119.143 119.070 -0.008 0.000 2.265 748 H HA -0.194 4.362 4.556 -0.000 0.000 0.295 748 H C 2.150 177.537 175.328 0.099 0.000 1.084 748 H CA 2.513 58.597 56.048 0.061 0.000 1.261 748 H CB -0.335 29.451 29.762 0.040 0.000 1.360 748 H HN 0.589 nan 8.280 nan 0.000 0.487 749 Q N -1.043 118.760 119.800 0.006 0.000 2.096 749 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 749 Q C 2.301 178.293 176.000 -0.013 0.000 0.982 749 Q CA 1.555 57.325 55.803 -0.056 0.000 0.850 749 Q CB -0.269 28.477 28.738 0.014 0.000 0.901 749 Q HN 0.647 nan 8.270 nan 0.000 0.422 750 H N 0.626 119.677 119.070 -0.032 0.000 2.357 750 H HA -0.041 4.515 4.556 -0.000 0.000 0.301 750 H C 2.027 177.357 175.328 0.004 0.000 1.082 750 H CA 1.206 57.269 56.048 0.024 0.000 1.342 750 H CB 0.018 29.846 29.762 0.111 0.000 1.389 750 H HN 0.284 nan 8.280 nan 0.000 0.511 751 I N 0.183 120.721 120.570 -0.052 0.000 2.252 751 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 751 I C 1.751 177.651 176.117 -0.362 0.000 1.102 751 I CA 1.254 62.431 61.300 -0.206 0.000 1.385 751 I CB -0.273 37.420 38.000 -0.512 0.000 1.064 751 I HN 0.152 nan 8.210 nan 0.000 0.414 752 Y N 0.883 120.967 120.300 -0.360 0.000 2.352 752 Y HA -0.199 4.351 4.550 -0.000 0.000 0.292 752 Y C 2.685 178.379 175.900 -0.343 0.000 1.136 752 Y CA 1.818 59.609 58.100 -0.514 0.000 1.227 752 Y CB -0.688 37.445 38.460 -0.545 0.000 0.991 752 Y HN 0.160 nan 8.280 nan 0.000 0.545 753 T N -1.717 112.754 114.554 -0.138 0.000 2.777 753 T HA -0.209 4.141 4.350 -0.000 0.000 0.266 753 T C 1.519 176.114 174.700 -0.175 0.000 1.040 753 T CA 1.758 63.745 62.100 -0.188 0.000 1.141 753 T CB -0.393 68.383 68.868 -0.153 0.000 0.868 753 T HN 0.404 nan 8.240 nan 0.000 0.444 754 H N 1.263 120.216 119.070 -0.195 0.000 2.293 754 H HA 0.099 4.655 4.556 -0.000 0.000 0.300 754 H C 2.219 177.530 175.328 -0.029 0.000 1.082 754 H CA 1.621 57.630 56.048 -0.065 0.000 1.308 754 H CB -0.355 29.347 29.762 -0.099 0.000 1.375 754 H HN 0.199 nan 8.280 nan 0.000 0.495 755 M N -0.559 118.967 119.600 -0.124 0.000 2.144 755 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 755 M C 2.344 178.717 176.300 0.121 0.000 1.067 755 M CA 1.734 56.947 55.300 -0.144 0.000 1.095 755 M CB -0.167 32.105 32.600 -0.547 0.000 1.365 755 M HN 0.238 nan 8.290 nan 0.000 0.406 756 S N -0.982 114.781 115.700 0.106 0.000 2.387 756 S HA -0.098 4.372 4.470 -0.000 0.000 0.226 756 S C 1.609 176.247 174.600 0.063 0.000 1.026 756 S CA 0.700 59.048 58.200 0.247 0.000 0.972 756 S CB -0.425 62.907 63.200 0.219 0.000 0.814 756 S HN 0.475 nan 8.310 nan 0.000 0.477 757 H N 0.143 119.262 119.070 0.083 0.000 2.321 757 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 757 H C 2.007 177.341 175.328 0.010 0.000 1.087 757 H CA 1.396 57.458 56.048 0.024 0.000 1.319 757 H CB -0.823 28.915 29.762 -0.040 0.000 1.379 757 H HN 0.441 nan 8.280 nan 0.000 0.501 758 F N 1.496 121.423 119.950 -0.038 0.000 2.069 758 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 758 F C 2.351 178.092 175.800 -0.099 0.000 1.113 758 F CA 1.032 58.977 58.000 -0.091 0.000 1.214 758 F CB -0.400 38.515 39.000 -0.143 0.000 0.978 758 F HN -0.048 nan 8.300 nan 0.000 0.474 759 I N 0.875 121.424 120.570 -0.035 0.000 2.127 759 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 759 I C 2.351 178.240 176.117 -0.380 0.000 1.075 759 I CA 1.514 62.635 61.300 -0.299 0.000 1.334 759 I CB -1.320 36.614 38.000 -0.109 0.000 1.040 759 I HN 0.218 nan 8.210 nan 0.000 0.405 760 K N 0.096 120.426 120.400 -0.117 0.000 2.034 760 K HA -0.277 4.043 4.320 -0.000 0.000 0.214 760 K C 2.140 178.705 176.600 -0.060 0.000 1.051 760 K CA 2.006 58.276 56.287 -0.029 0.000 0.931 760 K CB -0.514 32.028 32.500 0.069 0.000 0.715 760 K HN 0.265 nan 8.250 nan 0.000 0.446 761 Q N 0.410 120.151 119.800 -0.100 0.000 2.030 761 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 761 Q C 2.348 178.253 176.000 -0.158 0.000 0.986 761 Q CA 1.771 57.509 55.803 -0.107 0.000 0.843 761 Q CB -0.975 27.690 28.738 -0.121 0.000 0.904 761 Q HN 0.618 nan 8.270 nan 0.000 0.420 762 c N -0.341 118.044 118.600 -0.359 0.000 2.396 762 c HA -0.155 4.415 4.570 -0.000 0.000 0.277 762 c C 1.910 176.004 174.090 0.007 0.000 1.231 762 c CA 1.108 57.233 56.329 -0.340 0.000 1.775 762 c CB -1.337 40.759 42.510 -0.689 0.000 2.036 762 c HN 0.703 nan 8.230 nan 0.000 0.484 763 F N 1.286 121.195 119.950 -0.069 0.000 2.641 763 F HA 0.223 4.750 4.527 -0.000 0.000 0.302 763 F C 1.574 177.361 175.800 -0.021 0.000 1.098 763 F CA 0.294 58.276 58.000 -0.030 0.000 1.318 763 F CB -1.157 37.834 39.000 -0.015 0.000 1.035 763 F HN 0.214 nan 8.300 nan 0.000 0.551 764 S N 0.185 115.966 115.700 0.136 0.000 3.521 764 S HA -0.244 4.226 4.470 -0.000 0.000 0.328 764 S C 0.228 174.876 174.600 0.080 0.000 1.165 764 S CA 0.089 58.336 58.200 0.078 0.000 0.941 764 S CB -2.387 60.850 63.200 0.062 0.000 0.951 764 S HN 0.299 nan 8.310 nan 0.000 0.539 765 L N 1.689 122.974 121.223 0.103 0.000 2.361 765 L HA 0.278 4.618 4.340 -0.000 0.000 0.278 765 L C -1.063 175.851 176.870 0.072 0.000 1.113 765 L CA -1.664 53.232 54.840 0.094 0.000 0.849 765 L CB 0.031 42.161 42.059 0.119 0.000 1.155 765 L HN 0.065 nan 8.230 nan 0.000 0.452 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.133 63.100 0.055 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726