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 1r9m_1_A DATA FIRST_RESID 40 DATA SEQUENCE RKTYTLTDYL KNTYRLKLYS LRWISDHEYL YKQENNILVF NAEYGNSSVF DATA SEQUENCE LENSTFDEFG HSINDYSISP DGQFILLEYN YVKQWRHSYT ASYDIYDLNK DATA SEQUENCE RQLITEERIP NNTQWVTWSP VGHKLAYVWN NDIYVKIEPN LPSYRITWTG DATA SEQUENCE KEDIIYNGIT DWVYEEEVFS AYSALWWSPN GTFLAYAQFN DTEVPLIEYS DATA SEQUENCE FYSDESLQYP KTVRVPYPKA GAVNPTVKFF VVNTDSLSSV TNATSIQITA DATA SEQUENCE PASMLIGDHY LCDVTWATQE RISLQWLRRI QNYSVMDIcD YDESSGRWNc DATA SEQUENCE LVARQHIEMS TTGWVGRFRP SEPHFTLDGN SFYKIISNEE GYRHIcYFQI DATA SEQUENCE DKKDcTFITK GTWEVIGIEA LTSDYLYYIS NEYKGMPGGR NLYKIQLSDY DATA SEQUENCE TKVTCLSCEL NPERcQYYSV SFSKEAKYYQ LRcSGPGLPL YTLHSSVNDK DATA SEQUENCE GLRVLEDNSA LDKMLQNVQM PSKKLDFIIL NETKFWYQMI LPPHFDKSKK DATA SEQUENCE YPLLLDVYAG PCSQKADTVF RLNWATYLAS TENIIVASFD GRGSGYQGDK DATA SEQUENCE IMHAINRRLG TFEVEDQIEA ARQFSKMGFV DNKRIAIWGW SYGGYVTSMV DATA SEQUENCE LGSGSGVFKc GIAVAPVSRW EYYDSVYTER YMGLPTPEDN LDHYRNSTVM DATA SEQUENCE SRAENFKQVE YLLIHGTADD NVHFQQSAQI SKALVDVGVD FQAMWYTDED DATA SEQUENCE HGIASSTAHQ HIYTHMSHFI KQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 40 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.352 176.300 0.086 0.000 0.893 40 R CA 0.000 56.148 56.100 0.081 0.000 0.921 40 R CB 0.000 30.341 30.300 0.068 0.000 0.687 41 K N 0.675 121.128 120.400 0.088 0.000 2.126 41 K HA 0.656 4.959 4.320 -0.028 0.000 0.257 41 K C 0.261 176.925 176.600 0.107 0.000 1.007 41 K CA 0.264 56.610 56.287 0.099 0.000 0.928 41 K CB 1.469 34.035 32.500 0.110 0.000 1.013 41 K HN 0.202 nan 8.250 nan 0.000 0.473 42 T N -1.773 112.854 114.554 0.121 0.000 2.937 42 T HA 0.187 4.521 4.350 -0.028 0.000 0.283 42 T C -0.804 174.016 174.700 0.199 0.000 1.012 42 T CA -0.814 61.371 62.100 0.141 0.000 0.997 42 T CB 0.567 69.515 68.868 0.133 0.000 1.136 42 T HN 0.571 nan 8.240 nan 0.000 0.551 43 Y N 2.329 122.690 120.300 0.101 0.000 2.452 43 Y HA 0.409 4.945 4.550 -0.023 0.000 0.348 43 Y C 0.866 176.914 175.900 0.245 0.000 0.985 43 Y CA -0.363 57.833 58.100 0.160 0.000 1.214 43 Y CB 0.073 38.587 38.460 0.090 0.000 1.136 43 Y HN 1.024 nan 8.280 nan 0.000 0.523 44 T N 2.593 117.127 114.554 -0.034 0.000 2.862 44 T HA 0.145 4.478 4.350 -0.028 0.000 0.276 44 T C 0.924 175.548 174.700 -0.127 0.000 0.974 44 T CA -0.698 61.438 62.100 0.060 0.000 0.966 44 T CB 1.289 70.161 68.868 0.007 0.000 1.072 44 T HN 0.724 nan 8.240 nan 0.000 0.538 45 L N 1.062 122.055 121.223 -0.383 0.000 2.017 45 L HA 0.018 4.341 4.340 -0.028 0.000 0.208 45 L C 2.688 179.431 176.870 -0.211 0.000 1.073 45 L CA 2.210 56.695 54.840 -0.591 0.000 0.745 45 L CB -1.479 40.096 42.059 -0.807 0.000 0.894 45 L HN 0.960 nan 8.230 nan 0.000 0.432 46 T N -0.369 114.080 114.554 -0.176 0.000 2.759 46 T HA -0.186 4.147 4.350 -0.028 0.000 0.269 46 T C 1.497 176.111 174.700 -0.143 0.000 1.042 46 T CA 1.537 63.560 62.100 -0.128 0.000 1.140 46 T CB -0.404 68.409 68.868 -0.093 0.000 0.864 46 T HN 0.429 nan 8.240 nan 0.000 0.455 47 D N 0.025 120.305 120.400 -0.199 0.000 2.104 47 D HA -0.096 4.528 4.640 -0.028 0.000 0.194 47 D C 1.765 177.967 176.300 -0.163 0.000 0.994 47 D CA 1.078 54.916 54.000 -0.270 0.000 0.830 47 D CB -0.443 40.055 40.800 -0.503 0.000 0.959 47 D HN 0.420 nan 8.370 nan 0.000 0.452 48 Y N 1.587 121.733 120.300 -0.257 0.000 2.145 48 Y HA -0.133 4.401 4.550 -0.026 0.000 0.286 48 Y C 2.189 178.103 175.900 0.023 0.000 1.145 48 Y CA 1.274 59.397 58.100 0.038 0.000 1.148 48 Y CB -0.595 37.956 38.460 0.153 0.000 0.981 48 Y HN -0.080 nan 8.280 nan 0.000 0.507 49 L N -0.355 120.709 121.223 -0.265 0.000 2.156 49 L HA -0.132 4.191 4.340 -0.028 0.000 0.208 49 L C 1.746 178.505 176.870 -0.184 0.000 1.095 49 L CA 1.291 55.939 54.840 -0.320 0.000 0.770 49 L CB -0.387 41.557 42.059 -0.191 0.000 0.914 49 L HN 0.016 nan 8.230 nan 0.000 0.439 50 K N 0.091 120.408 120.400 -0.138 0.000 2.358 50 K HA 0.129 4.432 4.320 -0.028 0.000 0.197 50 K C -0.163 176.381 176.600 -0.092 0.000 1.025 50 K CA -0.167 56.059 56.287 -0.102 0.000 1.104 50 K CB -0.245 32.197 32.500 -0.096 0.000 0.855 50 K HN 0.172 nan 8.250 nan 0.000 0.531 51 N N 0.010 118.663 118.700 -0.079 0.000 2.708 51 N HA -0.205 4.518 4.740 -0.028 0.000 0.255 51 N C 0.048 175.522 175.510 -0.059 0.000 1.046 51 N CA 0.580 53.619 53.050 -0.018 0.000 0.715 51 N CB -1.053 37.423 38.487 -0.018 0.000 0.895 51 N HN 0.090 nan 8.380 nan 0.000 0.545 52 T N -0.888 113.577 114.554 -0.148 0.000 2.708 52 T HA -0.173 4.160 4.350 -0.028 0.000 0.266 52 T C 0.360 174.788 174.700 -0.453 0.000 1.037 52 T CA 1.336 63.210 62.100 -0.377 0.000 1.146 52 T CB -0.095 68.393 68.868 -0.635 0.000 0.865 52 T HN 0.346 nan 8.240 nan 0.000 0.435 53 Y N 1.654 122.028 120.300 0.123 0.000 2.491 53 Y HA 0.511 5.045 4.550 -0.027 0.000 0.334 53 Y C 0.402 176.404 175.900 0.171 0.000 0.969 53 Y CA -1.194 57.009 58.100 0.171 0.000 1.241 53 Y CB 0.401 39.028 38.460 0.278 0.000 1.105 53 Y HN -0.086 nan 8.280 nan 0.000 0.503 54 R N 3.255 123.887 120.500 0.219 0.000 2.368 54 R HA 0.527 4.850 4.340 -0.028 0.000 0.302 54 R C -1.021 175.386 176.300 0.179 0.000 1.002 54 R CA -0.619 55.581 56.100 0.168 0.000 0.929 54 R CB 0.743 31.097 30.300 0.091 0.000 1.073 54 R HN 0.705 nan 8.270 nan 0.000 0.464 55 L N 4.764 126.094 121.223 0.178 0.000 2.313 55 L HA 0.242 4.565 4.340 -0.028 0.000 0.282 55 L C 0.342 177.291 176.870 0.131 0.000 1.092 55 L CA 0.028 54.975 54.840 0.179 0.000 0.831 55 L CB 0.940 43.122 42.059 0.205 0.000 1.159 55 L HN 0.511 nan 8.230 nan 0.000 0.442 56 K N 3.074 123.544 120.400 0.116 0.000 2.185 56 K HA 0.475 4.778 4.320 -0.028 0.000 0.271 56 K C -0.734 175.880 176.600 0.024 0.000 1.013 56 K CA -0.726 55.599 56.287 0.063 0.000 0.943 56 K CB 1.303 33.835 32.500 0.054 0.000 0.998 56 K HN 0.231 nan 8.250 nan 0.000 0.468 57 L N 1.604 122.772 121.223 -0.091 0.000 2.298 57 L HA 0.379 4.702 4.340 -0.028 0.000 0.268 57 L C -0.817 175.753 176.870 -0.500 0.000 1.010 57 L CA -0.511 54.132 54.840 -0.329 0.000 0.812 57 L CB 0.410 42.399 42.059 -0.117 0.000 1.331 57 L HN 0.489 nan 8.230 nan 0.000 0.450 58 Y N 0.243 119.968 120.300 -0.957 0.000 2.544 58 Y HA 0.387 4.920 4.550 -0.028 0.000 0.347 58 Y C -0.200 175.573 175.900 -0.210 0.000 1.089 58 Y CA -0.484 57.333 58.100 -0.473 0.000 1.230 58 Y CB 1.178 39.262 38.460 -0.627 0.000 1.101 58 Y HN 0.498 nan 8.280 nan 0.000 0.641 59 S N 5.272 120.925 115.700 -0.078 0.000 2.448 59 S HA 0.633 5.086 4.470 -0.028 0.000 0.279 59 S C -0.787 173.797 174.600 -0.027 0.000 1.195 59 S CA -0.431 57.753 58.200 -0.028 0.000 1.051 59 S CB -0.430 62.738 63.200 -0.052 0.000 0.948 59 S HN 0.580 nan 8.310 nan 0.000 0.493 60 L N 3.602 124.783 121.223 -0.071 0.000 2.354 60 L HA 0.829 5.153 4.340 -0.028 0.000 0.264 60 L C -0.553 176.216 176.870 -0.168 0.000 1.008 60 L CA -0.966 53.786 54.840 -0.148 0.000 0.819 60 L CB 1.776 43.474 42.059 -0.602 0.000 1.339 60 L HN 0.667 nan 8.230 nan 0.000 0.420 61 R N 0.848 121.305 120.500 -0.072 0.000 2.476 61 R HA 0.477 4.800 4.340 -0.028 0.000 0.305 61 R C -1.660 174.670 176.300 0.050 0.000 0.965 61 R CA -0.596 55.496 56.100 -0.012 0.000 0.867 61 R CB 0.586 30.930 30.300 0.073 0.000 1.176 61 R HN 0.782 nan 8.270 nan 0.000 0.447 62 W N 2.806 124.213 121.300 0.178 0.000 2.170 62 W HA 0.110 4.751 4.660 -0.031 0.000 0.342 62 W C 0.950 177.556 176.519 0.144 0.000 1.294 62 W CA -0.383 57.079 57.345 0.195 0.000 1.246 62 W CB 0.429 29.989 29.460 0.167 0.000 1.156 62 W HN 0.569 nan 8.180 nan 0.000 0.572 63 I N 1.181 121.991 120.570 0.400 0.000 4.471 63 I HA 0.019 4.172 4.170 -0.028 0.000 0.326 63 I C 0.569 176.798 176.117 0.188 0.000 1.300 63 I CA 0.578 62.010 61.300 0.220 0.000 1.237 63 I CB 0.008 38.084 38.000 0.127 0.000 1.195 63 I HN 0.389 nan 8.210 nan 0.000 0.427 64 S N -2.156 113.680 115.700 0.227 0.000 3.003 64 S HA 0.292 4.746 4.470 -0.028 0.000 0.313 64 S C 0.023 174.628 174.600 0.008 0.000 1.230 64 S CA -0.515 57.741 58.200 0.093 0.000 0.977 64 S CB 0.919 64.169 63.200 0.083 0.000 1.340 64 S HN -0.113 nan 8.310 nan 0.000 0.608 65 D N 0.054 120.298 120.400 -0.259 0.000 2.339 65 D HA 0.225 4.848 4.640 -0.028 0.000 0.217 65 D C 0.772 176.910 176.300 -0.271 0.000 1.050 65 D CA 0.585 54.365 54.000 -0.366 0.000 0.856 65 D CB -0.018 40.532 40.800 -0.416 0.000 0.922 65 D HN 0.657 nan 8.370 nan 0.000 0.518 66 H N -2.361 116.873 119.070 0.274 0.000 3.726 66 H HA 0.347 4.886 4.556 -0.028 0.000 0.262 66 H C -0.300 175.163 175.328 0.224 0.000 1.181 66 H CA -0.257 55.950 56.048 0.265 0.000 1.143 66 H CB 0.717 30.636 29.762 0.263 0.000 1.627 66 H HN 0.055 nan 8.280 nan 0.000 0.750 67 E N 1.427 121.875 120.200 0.414 0.000 2.288 67 E HA 0.449 4.782 4.350 -0.028 0.000 0.268 67 E C -1.468 175.355 176.600 0.372 0.000 0.885 67 E CA -1.162 55.401 56.400 0.272 0.000 0.767 67 E CB 3.057 32.861 29.700 0.175 0.000 1.220 67 E HN 0.228 nan 8.360 nan 0.000 0.427 68 Y N -0.877 119.501 120.300 0.130 0.000 2.597 68 Y HA 0.594 5.129 4.550 -0.026 0.000 0.340 68 Y C -1.647 174.265 175.900 0.019 0.000 1.097 68 Y CA -1.351 56.719 58.100 -0.049 0.000 1.037 68 Y CB 0.823 38.928 38.460 -0.593 0.000 1.305 68 Y HN 0.361 nan 8.280 nan 0.000 0.463 69 L N 2.810 124.173 121.223 0.234 0.000 2.343 69 L HA 0.529 4.852 4.340 -0.028 0.000 0.275 69 L C -1.192 175.900 176.870 0.370 0.000 1.056 69 L CA -0.949 54.007 54.840 0.194 0.000 0.804 69 L CB 1.542 43.645 42.059 0.072 0.000 1.203 69 L HN 0.810 nan 8.230 nan 0.000 0.440 70 Y N 1.679 122.090 120.300 0.185 0.000 2.544 70 Y HA 0.303 4.836 4.550 -0.029 0.000 0.342 70 Y C -0.808 175.131 175.900 0.065 0.000 1.062 70 Y CA -1.198 56.962 58.100 0.101 0.000 1.023 70 Y CB 1.779 40.297 38.460 0.096 0.000 1.308 70 Y HN 0.395 nan 8.280 nan 0.000 0.457 71 K N 5.146 125.181 120.400 -0.609 0.000 2.356 71 K HA 0.281 4.584 4.320 -0.028 0.000 0.243 71 K C -0.989 175.297 176.600 -0.523 0.000 1.072 71 K CA -0.481 55.542 56.287 -0.439 0.000 1.014 71 K CB 0.415 32.756 32.500 -0.265 0.000 1.523 71 K HN 0.655 nan 8.250 nan 0.000 0.455 72 Q N 2.430 122.115 119.800 -0.193 0.000 2.286 72 Q HA -0.007 4.316 4.340 -0.028 0.000 0.257 72 Q C 0.757 176.722 176.000 -0.059 0.000 0.941 72 Q CA -0.018 55.757 55.803 -0.048 0.000 0.912 72 Q CB 1.506 30.310 28.738 0.110 0.000 1.192 72 Q HN 0.613 nan 8.270 nan 0.000 0.410 73 E N 2.288 122.456 120.200 -0.052 0.000 2.332 73 E HA -0.311 4.022 4.350 -0.028 0.000 0.223 73 E C 0.454 177.011 176.600 -0.071 0.000 1.095 73 E CA 2.006 58.366 56.400 -0.067 0.000 0.897 73 E CB 0.207 29.885 29.700 -0.036 0.000 0.763 73 E HN 0.599 nan 8.360 nan 0.000 0.464 74 N N -0.644 118.025 118.700 -0.052 0.000 2.184 74 N HA 0.049 4.772 4.740 -0.028 0.000 0.206 74 N C -0.845 174.638 175.510 -0.045 0.000 1.151 74 N CA -0.134 52.890 53.050 -0.043 0.000 0.878 74 N CB 0.657 39.125 38.487 -0.031 0.000 1.014 74 N HN -0.066 nan 8.380 nan 0.000 0.512 75 N N 0.089 118.760 118.700 -0.050 0.000 2.371 75 N HA 0.344 5.067 4.740 -0.028 0.000 0.280 75 N C -1.685 173.800 175.510 -0.042 0.000 1.084 75 N CA -0.395 52.629 53.050 -0.043 0.000 0.892 75 N CB 1.896 40.369 38.487 -0.024 0.000 1.653 75 N HN -0.084 nan 8.380 nan 0.000 0.480 76 I N 2.846 123.393 120.570 -0.039 0.000 2.297 76 I HA 0.253 4.406 4.170 -0.028 0.000 0.291 76 I C -0.388 175.761 176.117 0.052 0.000 1.033 76 I CA -0.562 60.724 61.300 -0.024 0.000 1.253 76 I CB 0.583 38.511 38.000 -0.120 0.000 1.396 76 I HN 0.150 nan 8.210 nan 0.000 0.476 77 L N 7.314 128.582 121.223 0.075 0.000 2.352 77 L HA 0.535 4.858 4.340 -0.028 0.000 0.269 77 L C 0.005 176.880 176.870 0.010 0.000 1.034 77 L CA -0.855 53.996 54.840 0.018 0.000 0.806 77 L CB 1.762 43.773 42.059 -0.079 0.000 1.244 77 L HN 0.219 nan 8.230 nan 0.000 0.447 78 V N -0.199 119.671 119.914 -0.073 0.000 2.435 78 V HA 0.530 4.634 4.120 -0.028 0.000 0.290 78 V C -0.446 175.494 176.094 -0.257 0.000 1.030 78 V CA -0.724 61.518 62.300 -0.096 0.000 0.881 78 V CB 1.072 32.900 31.823 0.008 0.000 0.983 78 V HN 0.395 nan 8.190 nan 0.000 0.445 79 F N 2.374 122.105 119.950 -0.365 0.000 2.492 79 F HA 0.475 4.987 4.527 -0.026 0.000 0.327 79 F C 0.481 176.045 175.800 -0.394 0.000 1.079 79 F CA -0.398 57.321 58.000 -0.469 0.000 0.967 79 F CB 1.903 40.332 39.000 -0.950 0.000 1.169 79 F HN 0.598 nan 8.300 nan 0.000 0.472 80 N N 1.180 119.873 118.700 -0.012 0.000 2.455 80 N HA 0.446 5.170 4.740 -0.028 0.000 0.280 80 N C 0.502 176.004 175.510 -0.012 0.000 1.055 80 N CA -0.032 53.038 53.050 0.034 0.000 0.961 80 N CB 1.483 40.059 38.487 0.148 0.000 1.121 80 N HN 0.752 nan 8.380 nan 0.000 0.476 81 A N 3.106 125.880 122.820 -0.078 0.000 1.898 81 A HA -0.127 4.176 4.320 -0.028 0.000 0.216 81 A C 1.910 179.321 177.584 -0.289 0.000 1.181 81 A CA 1.090 52.976 52.037 -0.252 0.000 0.620 81 A CB -0.427 18.080 19.000 -0.822 0.000 0.819 81 A HN 0.795 nan 8.150 nan 0.000 0.442 82 E N -0.700 119.335 120.200 -0.274 0.000 2.023 82 E HA -0.207 4.126 4.350 -0.028 0.000 0.196 82 E C 1.768 178.164 176.600 -0.340 0.000 1.003 82 E CA 1.775 57.980 56.400 -0.325 0.000 0.809 82 E CB -0.356 28.947 29.700 -0.662 0.000 0.755 82 E HN 0.823 nan 8.360 nan 0.000 0.449 83 Y N -1.254 119.063 120.300 0.029 0.000 2.503 83 Y HA 0.240 4.774 4.550 -0.027 0.000 0.278 83 Y C 1.744 177.661 175.900 0.029 0.000 1.111 83 Y CA 0.566 58.680 58.100 0.023 0.000 1.270 83 Y CB 0.384 38.852 38.460 0.013 0.000 1.063 83 Y HN 0.203 nan 8.280 nan 0.000 0.548 84 G N 0.880 109.784 108.800 0.173 0.000 2.141 84 G HA2 -0.281 3.662 3.960 -0.028 0.000 0.242 84 G HA3 -0.281 3.662 3.960 -0.028 0.000 0.242 84 G C -0.261 174.777 174.900 0.229 0.000 0.982 84 G CA 0.096 45.306 45.100 0.183 0.000 0.662 84 G HN 0.450 nan 8.290 nan 0.000 0.527 85 N N 0.325 119.122 118.700 0.163 0.000 2.443 85 N HA 0.666 5.389 4.740 -0.028 0.000 0.295 85 N C -0.051 175.357 175.510 -0.170 0.000 1.076 85 N CA 0.290 53.353 53.050 0.021 0.000 0.919 85 N CB 1.946 40.436 38.487 0.005 0.000 1.176 85 N HN 0.664 nan 8.380 nan 0.000 0.487 86 S N 0.051 115.527 115.700 -0.373 0.000 2.638 86 S HA 0.802 5.255 4.470 -0.028 0.000 0.302 86 S C -0.434 173.974 174.600 -0.319 0.000 1.096 86 S CA -0.759 57.072 58.200 -0.615 0.000 0.953 86 S CB 1.324 63.760 63.200 -1.273 0.000 1.107 86 S HN 0.904 nan 8.310 nan 0.000 0.503 87 S N -0.286 115.258 115.700 -0.261 0.000 2.564 87 S HA 0.609 5.063 4.470 -0.028 0.000 0.274 87 S C -0.910 173.627 174.600 -0.105 0.000 1.124 87 S CA -0.877 57.238 58.200 -0.143 0.000 0.869 87 S CB 0.903 64.051 63.200 -0.088 0.000 1.105 87 S HN 0.824 nan 8.310 nan 0.000 0.472 88 V N 3.550 123.417 119.914 -0.077 0.000 2.479 88 V HA 0.187 4.290 4.120 -0.028 0.000 0.281 88 V C 0.671 176.761 176.094 -0.007 0.000 1.031 88 V CA 0.119 62.392 62.300 -0.045 0.000 1.038 88 V CB -0.200 31.585 31.823 -0.064 0.000 0.981 88 V HN 0.930 nan 8.190 nan 0.000 0.478 89 F N 5.581 125.465 119.950 -0.110 0.000 2.317 89 F HA 0.392 4.902 4.527 -0.027 0.000 0.290 89 F C 0.497 176.230 175.800 -0.112 0.000 1.075 89 F CA 0.603 58.545 58.000 -0.095 0.000 1.380 89 F CB 0.553 39.505 39.000 -0.079 0.000 1.093 89 F HN 0.352 nan 8.300 nan 0.000 0.524 90 L N 1.712 122.971 121.223 0.060 0.000 2.446 90 L HA 0.340 4.664 4.340 -0.028 0.000 0.268 90 L C -0.965 175.836 176.870 -0.115 0.000 0.975 90 L CA -0.555 54.229 54.840 -0.094 0.000 0.848 90 L CB 1.517 43.580 42.059 0.007 0.000 1.225 90 L HN 0.032 nan 8.230 nan 0.000 0.410 91 E N 1.606 121.697 120.200 -0.182 0.000 2.343 91 E HA 0.164 4.497 4.350 -0.028 0.000 0.269 91 E C 0.704 177.201 176.600 -0.172 0.000 1.047 91 E CA -0.037 56.270 56.400 -0.154 0.000 0.874 91 E CB 0.794 30.398 29.700 -0.161 0.000 1.033 91 E HN 0.661 nan 8.360 nan 0.000 0.409 92 N N 1.259 119.891 118.700 -0.114 0.000 2.061 92 N HA -0.316 4.407 4.740 -0.028 0.000 0.193 92 N C 1.468 176.904 175.510 -0.123 0.000 1.030 92 N CA 1.834 54.831 53.050 -0.088 0.000 0.856 92 N CB -0.474 37.978 38.487 -0.057 0.000 1.023 92 N HN 0.430 nan 8.380 nan 0.000 0.424 93 S N -1.378 114.239 115.700 -0.138 0.000 2.493 93 S HA -0.118 4.335 4.470 -0.028 0.000 0.243 93 S C 1.630 176.092 174.600 -0.231 0.000 0.991 93 S CA 1.198 59.315 58.200 -0.139 0.000 0.957 93 S CB -1.209 61.923 63.200 -0.113 0.000 0.756 93 S HN 0.410 nan 8.310 nan 0.000 0.521 94 T N 1.397 115.693 114.554 -0.429 0.000 2.803 94 T HA 0.013 4.346 4.350 -0.028 0.000 0.269 94 T C 0.400 174.626 174.700 -0.790 0.000 1.052 94 T CA 1.261 62.910 62.100 -0.750 0.000 1.136 94 T CB -0.417 67.696 68.868 -1.259 0.000 0.864 94 T HN 0.616 nan 8.240 nan 0.000 0.467 95 F N 0.531 120.410 119.950 -0.119 0.000 2.708 95 F HA 0.327 4.837 4.527 -0.028 0.000 0.300 95 F C 1.349 177.156 175.800 0.011 0.000 1.118 95 F CA -1.538 56.422 58.000 -0.068 0.000 1.307 95 F CB -0.284 38.567 39.000 -0.247 0.000 0.986 95 F HN 0.045 nan 8.300 nan 0.000 0.522 96 D N 1.077 121.524 120.400 0.079 0.000 2.123 96 D HA -0.203 4.421 4.640 -0.028 0.000 0.196 96 D C 1.666 178.018 176.300 0.086 0.000 0.992 96 D CA 1.740 55.776 54.000 0.061 0.000 0.833 96 D CB 0.136 40.940 40.800 0.006 0.000 0.954 96 D HN 0.214 nan 8.370 nan 0.000 0.455 97 E N -0.993 119.263 120.200 0.095 0.000 2.502 97 E HA -0.045 4.288 4.350 -0.028 0.000 0.194 97 E C 1.449 178.106 176.600 0.096 0.000 1.062 97 E CA -0.236 56.206 56.400 0.069 0.000 0.867 97 E CB -0.213 29.515 29.700 0.046 0.000 0.888 97 E HN 0.444 nan 8.360 nan 0.000 0.510 98 F N 1.439 121.403 119.950 0.023 0.000 2.011 98 F HA -0.237 4.273 4.527 -0.027 0.000 0.296 98 F C 1.845 177.566 175.800 -0.132 0.000 1.144 98 F CA 2.514 60.513 58.000 -0.002 0.000 1.185 98 F CB -0.007 39.000 39.000 0.013 0.000 0.961 98 F HN 0.239 nan 8.300 nan 0.000 0.485 99 G N -1.760 107.033 108.800 -0.012 0.000 2.192 99 G HA2 -0.149 3.794 3.960 -0.028 0.000 0.193 99 G HA3 -0.149 3.794 3.960 -0.028 0.000 0.193 99 G C -0.130 174.521 174.900 -0.415 0.000 0.999 99 G CA 0.004 44.938 45.100 -0.277 0.000 0.659 99 G HN 0.568 nan 8.290 nan 0.000 0.503 100 H N -0.332 118.846 119.070 0.181 0.000 2.894 100 H HA 0.692 5.231 4.556 -0.028 0.000 0.368 100 H C -0.598 174.798 175.328 0.114 0.000 1.181 100 H CA 0.014 56.151 56.048 0.148 0.000 1.146 100 H CB 1.729 31.526 29.762 0.057 0.000 1.839 100 H HN 0.179 nan 8.280 nan 0.000 0.557 101 S N 2.039 117.868 115.700 0.216 0.000 2.422 101 S HA 0.264 4.717 4.470 -0.028 0.000 0.298 101 S C -0.038 174.598 174.600 0.059 0.000 1.118 101 S CA -0.830 57.430 58.200 0.099 0.000 1.083 101 S CB -0.435 62.816 63.200 0.084 0.000 0.971 101 S HN 0.315 nan 8.310 nan 0.000 0.478 102 I N 5.464 126.008 120.570 -0.044 0.000 2.471 102 I HA 0.153 4.306 4.170 -0.028 0.000 0.286 102 I C 1.316 177.400 176.117 -0.055 0.000 1.079 102 I CA 0.053 61.296 61.300 -0.096 0.000 1.398 102 I CB 0.582 38.446 38.000 -0.225 0.000 1.403 102 I HN 0.766 nan 8.210 nan 0.000 0.530 103 N N 4.188 122.854 118.700 -0.057 0.000 2.278 103 N HA -0.017 4.706 4.740 -0.028 0.000 0.181 103 N C 0.142 175.584 175.510 -0.112 0.000 1.023 103 N CA 1.061 54.038 53.050 -0.121 0.000 0.862 103 N CB 0.548 38.925 38.487 -0.185 0.000 1.003 103 N HN 0.674 nan 8.380 nan 0.000 0.431 104 D N -2.542 117.820 120.400 -0.062 0.000 2.643 104 D HA 0.191 4.814 4.640 -0.028 0.000 0.283 104 D C -1.554 174.786 176.300 0.067 0.000 1.242 104 D CA -0.465 53.512 54.000 -0.039 0.000 0.863 104 D CB 1.254 41.993 40.800 -0.103 0.000 1.382 104 D HN 0.091 nan 8.370 nan 0.000 0.444 105 Y N -1.381 118.941 120.300 0.036 0.000 2.609 105 Y HA 0.729 5.262 4.550 -0.028 0.000 0.342 105 Y C -1.081 174.911 175.900 0.153 0.000 1.058 105 Y CA -0.940 57.209 58.100 0.081 0.000 1.055 105 Y CB 1.790 40.292 38.460 0.069 0.000 1.292 105 Y HN 0.128 nan 8.280 nan 0.000 0.476 106 S N 2.765 118.699 115.700 0.390 0.000 2.689 106 S HA 0.547 5.000 4.470 -0.028 0.000 0.274 106 S C -1.667 173.298 174.600 0.609 0.000 1.176 106 S CA -0.688 57.753 58.200 0.403 0.000 1.014 106 S CB 0.320 63.737 63.200 0.362 0.000 1.071 106 S HN 0.622 nan 8.310 nan 0.000 0.478 107 I N 4.944 125.757 120.570 0.404 0.000 2.416 107 I HA 0.235 4.389 4.170 -0.028 0.000 0.288 107 I C 1.239 177.198 176.117 -0.262 0.000 1.051 107 I CA -0.171 61.240 61.300 0.184 0.000 1.375 107 I CB 0.815 38.906 38.000 0.152 0.000 1.407 107 I HN 0.839 nan 8.210 nan 0.000 0.516 108 S N 7.468 122.675 115.700 -0.821 0.000 2.563 108 S HA 0.116 4.569 4.470 -0.028 0.000 0.284 108 S C -1.714 172.576 174.600 -0.516 0.000 1.331 108 S CA -0.749 56.576 58.200 -1.457 0.000 1.047 108 S CB 0.458 62.824 63.200 -1.390 0.000 0.859 108 S HN 0.444 nan 8.310 nan 0.000 0.514 109 P HA -0.141 nan 4.420 nan 0.000 0.216 109 P C 0.984 178.237 177.300 -0.078 0.000 1.150 109 P CA 1.622 64.646 63.100 -0.126 0.000 0.837 109 P CB -0.167 31.482 31.700 -0.085 0.000 0.786 110 D N -1.581 118.770 120.400 -0.083 0.000 2.312 110 D HA -0.005 4.618 4.640 -0.028 0.000 0.211 110 D C 1.465 177.756 176.300 -0.015 0.000 0.964 110 D CA 1.228 55.218 54.000 -0.017 0.000 0.877 110 D CB -1.123 39.702 40.800 0.041 0.000 0.924 110 D HN 0.266 nan 8.370 nan 0.000 0.515 111 G N -0.136 108.634 108.800 -0.051 0.000 2.141 111 G HA2 -0.313 3.630 3.960 -0.028 0.000 0.231 111 G HA3 -0.313 3.630 3.960 -0.028 0.000 0.231 111 G C 0.799 175.670 174.900 -0.048 0.000 0.984 111 G CA 0.340 45.437 45.100 -0.004 0.000 0.660 111 G HN 0.470 nan 8.290 nan 0.000 0.525 112 Q N -1.249 118.455 119.800 -0.160 0.000 2.356 112 Q HA 0.483 4.806 4.340 -0.028 0.000 0.205 112 Q C 0.116 175.646 176.000 -0.784 0.000 0.901 112 Q CA 0.492 56.027 55.803 -0.447 0.000 0.938 112 Q CB 0.675 29.091 28.738 -0.536 0.000 1.081 112 Q HN 0.544 nan 8.270 nan 0.000 0.517 113 F N -0.092 119.805 119.950 -0.088 0.000 2.626 113 F HA 0.529 5.039 4.527 -0.028 0.000 0.311 113 F C -0.810 175.089 175.800 0.165 0.000 1.088 113 F CA -1.267 56.761 58.000 0.046 0.000 0.949 113 F CB 1.874 40.926 39.000 0.087 0.000 1.322 113 F HN -0.210 nan 8.300 nan 0.000 0.461 114 I N 2.776 123.691 120.570 0.576 0.000 2.478 114 I HA 0.476 4.629 4.170 -0.028 0.000 0.287 114 I C -1.821 174.637 176.117 0.567 0.000 1.042 114 I CA -1.002 60.633 61.300 0.557 0.000 1.067 114 I CB 1.402 39.684 38.000 0.471 0.000 1.233 114 I HN 0.549 nan 8.210 nan 0.000 0.431 115 L N 8.246 129.838 121.223 0.615 0.000 2.319 115 L HA 0.457 4.780 4.340 -0.028 0.000 0.280 115 L C -1.237 175.803 176.870 0.284 0.000 1.099 115 L CA 0.212 55.279 54.840 0.379 0.000 0.828 115 L CB 0.915 43.090 42.059 0.192 0.000 1.150 115 L HN 0.536 nan 8.230 nan 0.000 0.442 116 L N 5.320 126.654 121.223 0.186 0.000 2.305 116 L HA 0.476 4.799 4.340 -0.028 0.000 0.284 116 L C -0.188 176.764 176.870 0.136 0.000 1.013 116 L CA -0.447 54.409 54.840 0.027 0.000 0.819 116 L CB 1.650 43.499 42.059 -0.350 0.000 1.227 116 L HN 0.639 nan 8.230 nan 0.000 0.417 117 E N 4.313 124.556 120.200 0.072 0.000 2.175 117 E HA 0.448 4.781 4.350 -0.028 0.000 0.278 117 E C -1.691 174.870 176.600 -0.064 0.000 0.969 117 E CA -0.461 55.851 56.400 -0.146 0.000 0.796 117 E CB 1.279 30.952 29.700 -0.045 0.000 1.104 117 E HN 0.444 nan 8.360 nan 0.000 0.395 118 Y N 1.558 121.655 120.300 -0.339 0.000 2.689 118 Y HA 0.433 4.967 4.550 -0.028 0.000 0.333 118 Y C -0.203 175.604 175.900 -0.154 0.000 1.190 118 Y CA -1.595 56.396 58.100 -0.183 0.000 1.063 118 Y CB 0.410 38.808 38.460 -0.104 0.000 1.294 118 Y HN 0.555 nan 8.280 nan 0.000 0.466 119 N N -0.473 118.230 118.700 0.006 0.000 2.725 119 N HA -0.300 4.423 4.740 -0.028 0.000 0.249 119 N C -0.884 174.590 175.510 -0.060 0.000 1.103 119 N CA 1.026 54.044 53.050 -0.053 0.000 0.707 119 N CB -1.673 36.698 38.487 -0.193 0.000 1.043 119 N HN 0.868 nan 8.380 nan 0.000 0.553 120 Y N 0.296 120.512 120.300 -0.140 0.000 2.805 120 Y HA 0.187 4.720 4.550 -0.028 0.000 0.331 120 Y C 0.008 175.866 175.900 -0.070 0.000 1.241 120 Y CA 0.195 58.212 58.100 -0.138 0.000 1.546 120 Y CB 0.582 38.913 38.460 -0.216 0.000 1.248 120 Y HN -0.002 nan 8.280 nan 0.000 0.559 121 V N 8.387 127.953 119.914 -0.579 0.000 2.380 121 V HA 0.182 4.285 4.120 -0.028 0.000 0.286 121 V C -0.200 175.503 176.094 -0.651 0.000 1.015 121 V CA -1.382 60.612 62.300 -0.511 0.000 0.834 121 V CB 1.181 32.862 31.823 -0.236 0.000 1.009 121 V HN 0.754 nan 8.190 nan 0.000 0.428 122 K N 3.734 123.683 120.400 -0.751 0.000 2.436 122 K HA 0.143 4.446 4.320 -0.028 0.000 0.275 122 K C 0.505 176.929 176.600 -0.294 0.000 0.999 122 K CA 0.372 56.407 56.287 -0.419 0.000 0.980 122 K CB 1.034 33.464 32.500 -0.117 0.000 0.919 122 K HN 0.803 nan 8.250 nan 0.000 0.484 123 Q N 3.040 122.660 119.800 -0.301 0.000 2.679 123 Q HA 0.163 4.486 4.340 -0.028 0.000 0.255 123 Q C -0.016 175.719 176.000 -0.441 0.000 1.053 123 Q CA -0.319 55.111 55.803 -0.623 0.000 0.620 123 Q CB 0.076 28.287 28.738 -0.878 0.000 3.775 123 Q HN 0.728 nan 8.270 nan 0.000 0.446 124 W N 0.138 121.429 121.300 -0.016 0.000 1.836 124 W HA 0.368 5.011 4.660 -0.029 0.000 0.628 124 W C 1.837 178.343 176.519 -0.022 0.000 1.626 124 W CA -0.717 56.644 57.345 0.027 0.000 1.714 124 W CB -0.181 29.255 29.460 -0.040 0.000 3.166 124 W HN 0.278 nan 8.180 nan 0.000 0.772 125 R N -0.581 120.020 120.500 0.168 0.000 2.081 125 R HA -0.153 4.170 4.340 -0.028 0.000 0.235 125 R C 1.679 177.846 176.300 -0.222 0.000 1.131 125 R CA 1.849 57.884 56.100 -0.107 0.000 0.960 125 R CB -0.407 29.688 30.300 -0.342 0.000 0.856 125 R HN 0.507 nan 8.270 nan 0.000 0.436 126 H N -1.343 117.797 119.070 0.118 0.000 3.017 126 H HA 0.155 4.694 4.556 -0.029 0.000 0.255 126 H C 0.439 175.868 175.328 0.167 0.000 0.990 126 H CA 0.441 56.588 56.048 0.165 0.000 1.205 126 H CB 0.481 30.317 29.762 0.124 0.000 1.460 126 H HN 0.154 nan 8.280 nan 0.000 0.478 127 S N 1.330 117.041 115.700 0.019 0.000 2.580 127 S HA 0.400 4.853 4.470 -0.028 0.000 0.274 127 S C -0.352 174.138 174.600 -0.183 0.000 1.329 127 S CA -0.526 57.388 58.200 -0.477 0.000 1.036 127 S CB 0.784 63.163 63.200 -1.368 0.000 0.919 127 S HN 0.411 nan 8.310 nan 0.000 0.515 128 Y N -1.982 118.235 120.300 -0.138 0.000 2.713 128 Y HA 0.727 5.260 4.550 -0.029 0.000 0.335 128 Y C -0.837 175.078 175.900 0.025 0.000 1.222 128 Y CA -1.170 56.850 58.100 -0.133 0.000 1.061 128 Y CB 0.727 39.120 38.460 -0.113 0.000 1.314 128 Y HN 0.574 nan 8.280 nan 0.000 0.453 129 T N 1.519 116.161 114.554 0.146 0.000 2.918 129 T HA 0.933 5.266 4.350 -0.028 0.000 0.286 129 T C -0.876 173.928 174.700 0.172 0.000 1.026 129 T CA 0.127 62.309 62.100 0.136 0.000 1.031 129 T CB 1.293 70.168 68.868 0.012 0.000 1.046 129 T HN 1.188 nan 8.240 nan 0.000 0.479 130 A N 1.507 124.387 122.820 0.101 0.000 2.566 130 A HA 0.744 5.047 4.320 -0.028 0.000 0.290 130 A C -0.863 176.461 177.584 -0.433 0.000 1.071 130 A CA -0.774 51.158 52.037 -0.175 0.000 0.658 130 A CB 1.089 19.978 19.000 -0.185 0.000 1.285 130 A HN 0.645 nan 8.150 nan 0.000 0.427 131 S N -0.591 114.625 115.700 -0.806 0.000 2.608 131 S HA 0.805 5.258 4.470 -0.028 0.000 0.291 131 S C -1.380 172.541 174.600 -1.131 0.000 1.146 131 S CA -0.049 57.585 58.200 -0.943 0.000 1.043 131 S CB 0.610 62.984 63.200 -1.376 0.000 1.037 131 S HN 0.455 nan 8.310 nan 0.000 0.520 132 Y N 0.055 120.149 120.300 -0.342 0.000 2.524 132 Y HA 0.516 5.049 4.550 -0.028 0.000 0.347 132 Y C -0.448 175.516 175.900 0.107 0.000 1.005 132 Y CA -0.959 57.096 58.100 -0.075 0.000 1.025 132 Y CB 1.831 40.187 38.460 -0.173 0.000 1.275 132 Y HN 0.477 nan 8.280 nan 0.000 0.460 133 D N 1.912 122.527 120.400 0.358 0.000 2.671 133 D HA 0.552 5.175 4.640 -0.028 0.000 0.232 133 D C -1.021 175.423 176.300 0.241 0.000 1.114 133 D CA -0.337 53.836 54.000 0.289 0.000 0.858 133 D CB 2.484 43.525 40.800 0.402 0.000 1.544 133 D HN 0.380 nan 8.370 nan 0.000 0.471 134 I N 1.725 122.430 120.570 0.224 0.000 2.404 134 I HA 0.314 4.467 4.170 -0.028 0.000 0.293 134 I C -1.006 175.343 176.117 0.388 0.000 0.992 134 I CA -1.048 60.425 61.300 0.288 0.000 1.149 134 I CB 1.582 39.689 38.000 0.178 0.000 1.315 134 I HN 0.252 nan 8.210 nan 0.000 0.446 135 Y N 5.683 126.177 120.300 0.322 0.000 2.326 135 Y HA 0.289 4.822 4.550 -0.028 0.000 0.331 135 Y C -0.147 175.945 175.900 0.320 0.000 0.962 135 Y CA -0.746 57.539 58.100 0.308 0.000 1.167 135 Y CB 1.098 39.757 38.460 0.333 0.000 1.148 135 Y HN 0.527 nan 8.280 nan 0.000 0.463 136 D N 5.916 126.287 120.400 -0.049 0.000 2.417 136 D HA 0.018 4.641 4.640 -0.028 0.000 0.250 136 D C 0.675 176.710 176.300 -0.442 0.000 1.166 136 D CA 0.613 54.496 54.000 -0.194 0.000 0.881 136 D CB 1.172 41.870 40.800 -0.171 0.000 1.164 136 D HN 0.905 nan 8.370 nan 0.000 0.467 137 L N 3.989 125.046 121.223 -0.277 0.000 2.095 137 L HA -0.056 4.268 4.340 -0.028 0.000 0.204 137 L C 2.291 179.041 176.870 -0.200 0.000 1.080 137 L CA 0.390 55.152 54.840 -0.131 0.000 0.759 137 L CB -0.230 41.800 42.059 -0.049 0.000 0.914 137 L HN 0.468 nan 8.230 nan 0.000 0.439 138 N N 0.179 118.729 118.700 -0.250 0.000 2.331 138 N HA -0.119 4.604 4.740 -0.028 0.000 0.180 138 N C 1.280 176.681 175.510 -0.181 0.000 1.019 138 N CA 0.984 53.916 53.050 -0.196 0.000 0.881 138 N CB 0.224 38.594 38.487 -0.195 0.000 0.972 138 N HN 0.342 nan 8.380 nan 0.000 0.435 139 K N 0.565 120.830 120.400 -0.224 0.000 2.358 139 K HA 0.202 4.505 4.320 -0.028 0.000 0.197 139 K C -0.270 176.192 176.600 -0.229 0.000 1.025 139 K CA -0.209 55.966 56.287 -0.187 0.000 1.104 139 K CB 0.507 32.910 32.500 -0.161 0.000 0.855 139 K HN 0.010 nan 8.250 nan 0.000 0.531 140 R N 2.751 123.057 120.500 -0.323 0.000 2.544 140 R HA -0.230 4.093 4.340 -0.028 0.000 0.227 140 R C -0.487 175.565 176.300 -0.413 0.000 0.776 140 R CA 0.826 56.676 56.100 -0.416 0.000 0.538 140 R CB -1.669 28.597 30.300 -0.055 0.000 1.265 140 R HN 0.477 nan 8.270 nan 0.000 0.528 141 Q N -0.338 119.024 119.800 -0.730 0.000 2.426 141 Q HA 0.296 4.619 4.340 -0.028 0.000 0.278 141 Q C -1.254 174.653 176.000 -0.154 0.000 1.007 141 Q CA -1.256 54.386 55.803 -0.268 0.000 0.850 141 Q CB 0.993 29.677 28.738 -0.090 0.000 1.427 141 Q HN 0.020 nan 8.270 nan 0.000 0.391 142 L N 1.885 123.216 121.223 0.180 0.000 2.483 142 L HA 0.184 4.507 4.340 -0.028 0.000 0.276 142 L C -0.202 176.749 176.870 0.136 0.000 1.213 142 L CA 0.414 55.411 54.840 0.261 0.000 0.843 142 L CB 0.169 42.388 42.059 0.268 0.000 1.107 142 L HN 0.654 nan 8.230 nan 0.000 0.487 143 I N 1.761 122.420 120.570 0.148 0.000 2.304 143 I HA 0.145 4.298 4.170 -0.028 0.000 0.291 143 I C 1.117 177.272 176.117 0.063 0.000 1.018 143 I CA 0.279 61.633 61.300 0.090 0.000 1.260 143 I CB 1.198 39.248 38.000 0.084 0.000 1.390 143 I HN 0.742 nan 8.210 nan 0.000 0.475 144 T N 1.665 116.240 114.554 0.036 0.000 3.069 144 T HA 0.218 4.551 4.350 -0.028 0.000 0.252 144 T C 0.333 175.029 174.700 -0.007 0.000 1.053 144 T CA -0.337 61.772 62.100 0.014 0.000 0.964 144 T CB -0.252 68.622 68.868 0.010 0.000 1.005 144 T HN 0.537 nan 8.240 nan 0.000 0.532 145 E N 1.343 121.538 120.200 -0.008 0.000 2.202 145 E HA 0.286 4.620 4.350 -0.028 0.000 0.272 145 E C -0.645 175.929 176.600 -0.044 0.000 0.951 145 E CA -0.815 55.570 56.400 -0.024 0.000 0.813 145 E CB 0.934 30.625 29.700 -0.015 0.000 1.151 145 E HN 0.055 nan 8.360 nan 0.000 0.398 146 E N 1.150 121.313 120.200 -0.062 0.000 2.228 146 E HA -0.230 4.103 4.350 -0.028 0.000 0.213 146 E C -0.554 175.975 176.600 -0.118 0.000 1.282 146 E CA 0.723 57.071 56.400 -0.088 0.000 0.707 146 E CB -1.324 28.334 29.700 -0.070 0.000 1.150 146 E HN 0.526 nan 8.360 nan 0.000 0.362 147 R N -0.165 120.256 120.500 -0.132 0.000 2.694 147 R HA 0.312 4.635 4.340 -0.028 0.000 0.268 147 R C 1.130 177.256 176.300 -0.289 0.000 1.061 147 R CA -0.375 55.630 56.100 -0.158 0.000 1.133 147 R CB 0.462 30.692 30.300 -0.117 0.000 1.020 147 R HN 0.139 nan 8.270 nan 0.000 0.475 148 I N 3.835 124.197 120.570 -0.347 0.000 2.618 148 I HA 0.039 4.192 4.170 -0.028 0.000 0.284 148 I C -1.717 174.090 176.117 -0.517 0.000 1.146 148 I CA -1.643 59.284 61.300 -0.621 0.000 1.425 148 I CB 0.371 38.025 38.000 -0.577 0.000 1.383 148 I HN 0.293 nan 8.210 nan 0.000 0.562 149 P HA 0.022 nan 4.420 nan 0.000 0.271 149 P C -0.726 176.345 177.300 -0.382 0.000 1.238 149 P CA -0.208 62.495 63.100 -0.663 0.000 0.794 149 P CB 0.368 31.261 31.700 -1.346 0.000 0.959 150 N N 1.013 119.567 118.700 -0.243 0.000 2.483 150 N HA 0.078 4.801 4.740 -0.028 0.000 0.269 150 N C 0.183 175.728 175.510 0.060 0.000 1.209 150 N CA -0.044 52.933 53.050 -0.123 0.000 0.969 150 N CB -0.420 38.016 38.487 -0.085 0.000 1.173 150 N HN 0.411 nan 8.380 nan 0.000 0.475 151 N N -1.761 116.977 118.700 0.064 0.000 2.776 151 N HA -0.161 4.562 4.740 -0.028 0.000 0.250 151 N C -0.988 174.713 175.510 0.318 0.000 1.112 151 N CA 0.578 53.729 53.050 0.167 0.000 0.733 151 N CB -1.268 37.339 38.487 0.200 0.000 1.097 151 N HN 0.450 nan 8.380 nan 0.000 0.558 152 T N 0.356 115.081 114.554 0.285 0.000 2.901 152 T HA 0.084 4.417 4.350 -0.028 0.000 0.301 152 T C 1.420 176.300 174.700 0.300 0.000 1.012 152 T CA 0.045 62.350 62.100 0.342 0.000 1.135 152 T CB 1.223 70.196 68.868 0.176 0.000 0.936 152 T HN 0.170 nan 8.240 nan 0.000 0.539 153 Q N 1.486 121.453 119.800 0.279 0.000 2.339 153 Q HA 0.165 4.488 4.340 -0.028 0.000 0.205 153 Q C 0.088 176.264 176.000 0.294 0.000 0.925 153 Q CA 0.321 56.296 55.803 0.285 0.000 0.898 153 Q CB 0.832 29.709 28.738 0.232 0.000 1.013 153 Q HN 0.689 nan 8.270 nan 0.000 0.504 154 W N 0.249 121.524 121.300 -0.042 0.000 3.464 154 W HA 0.407 5.050 4.660 -0.029 0.000 0.292 154 W C -2.166 174.269 176.519 -0.140 0.000 1.262 154 W CA -0.819 56.446 57.345 -0.134 0.000 1.202 154 W CB 1.211 30.525 29.460 -0.243 0.000 1.334 154 W HN -0.264 nan 8.180 nan 0.000 0.561 155 V N 1.377 120.648 119.914 -1.071 0.000 2.888 155 V HA 0.889 4.992 4.120 -0.028 0.000 0.309 155 V C -1.083 174.410 176.094 -1.002 0.000 1.114 155 V CA -0.538 61.247 62.300 -0.858 0.000 0.940 155 V CB 1.223 32.449 31.823 -0.996 0.000 1.021 155 V HN 0.637 nan 8.190 nan 0.000 0.426 156 T N 3.031 117.306 114.554 -0.465 0.000 2.982 156 T HA 0.582 4.916 4.350 -0.028 0.000 0.321 156 T C -1.402 173.301 174.700 0.004 0.000 1.229 156 T CA -0.324 61.661 62.100 -0.192 0.000 1.044 156 T CB 1.347 70.330 68.868 0.192 0.000 1.184 156 T HN 0.802 nan 8.240 nan 0.000 0.477 157 W N 3.145 124.469 121.300 0.041 0.000 2.184 157 W HA 0.461 5.104 4.660 -0.029 0.000 0.338 157 W C 1.271 177.603 176.519 -0.311 0.000 1.257 157 W CA -0.683 56.625 57.345 -0.063 0.000 1.243 157 W CB 0.779 30.217 29.460 -0.037 0.000 1.122 157 W HN 0.844 nan 8.180 nan 0.000 0.585 158 S N 1.812 117.214 115.700 -0.497 0.000 2.580 158 S HA 0.079 4.532 4.470 -0.028 0.000 0.266 158 S C -1.815 172.521 174.600 -0.441 0.000 1.354 158 S CA -0.892 56.528 58.200 -1.301 0.000 1.008 158 S CB 0.711 63.143 63.200 -1.280 0.000 0.898 158 S HN 0.300 nan 8.310 nan 0.000 0.555 159 P HA 0.066 nan 4.420 nan 0.000 0.223 159 P C 0.393 177.643 177.300 -0.084 0.000 1.151 159 P CA 0.647 63.702 63.100 -0.076 0.000 0.787 159 P CB -0.181 31.515 31.700 -0.007 0.000 0.788 160 V N -6.211 113.611 119.914 -0.154 0.000 3.102 160 V HA 0.888 4.991 4.120 -0.028 0.000 0.312 160 V C 0.530 176.522 176.094 -0.169 0.000 1.135 160 V CA -0.218 62.010 62.300 -0.121 0.000 1.022 160 V CB 1.038 32.804 31.823 -0.095 0.000 1.056 160 V HN 0.414 nan 8.190 nan 0.000 0.436 161 G N 2.291 111.013 108.800 -0.130 0.000 2.531 161 G HA2 -0.210 3.733 3.960 -0.028 0.000 0.274 161 G HA3 -0.210 3.733 3.960 -0.028 0.000 0.274 161 G C 0.344 175.178 174.900 -0.111 0.000 1.159 161 G CA 1.023 46.023 45.100 -0.167 0.000 0.969 161 G HN 2.586 nan 8.290 nan 0.000 0.554 162 H N -0.632 118.426 119.070 -0.020 0.000 3.192 162 H HA 0.352 4.891 4.556 -0.028 0.000 0.247 162 H C 0.364 175.824 175.328 0.219 0.000 1.203 162 H CA 0.002 56.092 56.048 0.070 0.000 0.973 162 H CB -0.294 29.545 29.762 0.129 0.000 2.500 162 H HN 0.542 nan 8.280 nan 0.000 0.678 163 K N 1.349 121.756 120.400 0.012 0.000 2.336 163 K HA 0.277 4.580 4.320 -0.028 0.000 0.262 163 K C -0.705 175.999 176.600 0.174 0.000 0.992 163 K CA -0.365 55.952 56.287 0.050 0.000 0.927 163 K CB 1.073 33.478 32.500 -0.159 0.000 0.956 163 K HN -0.009 nan 8.250 nan 0.000 0.495 164 L N 1.163 122.521 121.223 0.225 0.000 2.410 164 L HA 0.501 4.824 4.340 -0.028 0.000 0.270 164 L C -1.396 175.656 176.870 0.302 0.000 0.983 164 L CA -0.285 54.641 54.840 0.143 0.000 0.822 164 L CB 1.772 43.779 42.059 -0.087 0.000 1.285 164 L HN 0.763 nan 8.230 nan 0.000 0.409 165 A N 4.260 127.277 122.820 0.328 0.000 2.330 165 A HA 0.784 5.087 4.320 -0.028 0.000 0.313 165 A C -1.662 175.962 177.584 0.066 0.000 1.124 165 A CA -0.387 51.752 52.037 0.170 0.000 0.774 165 A CB 0.822 19.878 19.000 0.093 0.000 1.198 165 A HN 0.706 nan 8.150 nan 0.000 0.465 166 Y N -0.187 120.090 120.300 -0.037 0.000 2.581 166 Y HA 0.774 5.307 4.550 -0.028 0.000 0.345 166 Y C -1.078 174.854 175.900 0.053 0.000 1.036 166 Y CA -1.618 56.439 58.100 -0.071 0.000 1.042 166 Y CB 1.170 39.521 38.460 -0.181 0.000 1.289 166 Y HN 0.361 nan 8.280 nan 0.000 0.471 167 V N 2.238 122.303 119.914 0.251 0.000 2.459 167 V HA 0.385 4.488 4.120 -0.028 0.000 0.295 167 V C -1.389 174.941 176.094 0.393 0.000 1.029 167 V CA -0.618 61.810 62.300 0.213 0.000 0.874 167 V CB 1.301 33.166 31.823 0.070 0.000 0.985 167 V HN 0.885 nan 8.190 nan 0.000 0.438 168 W N 4.677 126.088 121.300 0.185 0.000 3.259 168 W HA 0.449 5.092 4.660 -0.028 0.000 0.331 168 W C 0.252 176.829 176.519 0.095 0.000 1.144 168 W CA -0.830 56.588 57.345 0.121 0.000 1.227 168 W CB 1.215 30.709 29.460 0.056 0.000 1.371 168 W HN 0.785 nan 8.180 nan 0.000 0.491 169 N N 5.426 123.733 118.700 -0.656 0.000 2.721 169 N HA -0.358 4.366 4.740 -0.028 0.000 0.249 169 N C 0.127 175.466 175.510 -0.285 0.000 1.072 169 N CA 1.064 53.740 53.050 -0.623 0.000 0.710 169 N CB -1.064 36.823 38.487 -1.001 0.000 0.993 169 N HN 0.822 nan 8.380 nan 0.000 0.547 170 N N -1.663 116.946 118.700 -0.152 0.000 2.850 170 N HA -0.158 4.565 4.740 -0.028 0.000 0.249 170 N C -1.413 174.037 175.510 -0.101 0.000 1.060 170 N CA 0.972 53.957 53.050 -0.108 0.000 0.825 170 N CB -0.314 38.062 38.487 -0.185 0.000 1.132 170 N HN 0.412 nan 8.380 nan 0.000 0.564 171 D N 0.530 120.890 120.400 -0.067 0.000 2.575 171 D HA 0.476 5.100 4.640 -0.028 0.000 0.236 171 D C 0.053 176.245 176.300 -0.180 0.000 1.075 171 D CA -0.373 53.523 54.000 -0.174 0.000 0.860 171 D CB 1.695 42.343 40.800 -0.254 0.000 1.475 171 D HN 0.033 nan 8.370 nan 0.000 0.474 172 I N 1.899 122.196 120.570 -0.455 0.000 2.428 172 I HA 0.217 4.371 4.170 -0.028 0.000 0.289 172 I C -0.602 175.102 176.117 -0.689 0.000 1.019 172 I CA -0.287 60.724 61.300 -0.481 0.000 1.351 172 I CB 0.523 38.131 38.000 -0.653 0.000 1.412 172 I HN 0.172 nan 8.210 nan 0.000 0.513 173 Y N 4.106 124.043 120.300 -0.605 0.000 2.477 173 Y HA 0.597 5.130 4.550 -0.028 0.000 0.347 173 Y C -0.404 175.147 175.900 -0.582 0.000 0.981 173 Y CA -0.917 56.762 58.100 -0.702 0.000 1.033 173 Y CB 2.152 39.881 38.460 -1.219 0.000 1.245 173 Y HN 0.115 nan 8.280 nan 0.000 0.455 174 V N 3.153 122.998 119.914 -0.115 0.000 2.604 174 V HA 0.433 4.536 4.120 -0.028 0.000 0.305 174 V C -0.748 175.475 176.094 0.214 0.000 1.043 174 V CA -1.257 61.084 62.300 0.068 0.000 0.888 174 V CB 1.943 33.836 31.823 0.118 0.000 0.995 174 V HN 0.614 nan 8.190 nan 0.000 0.429 175 K N 4.470 125.008 120.400 0.230 0.000 2.449 175 K HA 0.473 4.777 4.320 -0.028 0.000 0.257 175 K C 0.555 177.293 176.600 0.231 0.000 0.989 175 K CA -0.618 55.797 56.287 0.212 0.000 0.916 175 K CB 1.473 34.068 32.500 0.157 0.000 1.136 175 K HN 0.494 nan 8.250 nan 0.000 0.439 176 I N 1.140 121.873 120.570 0.271 0.000 2.286 176 I HA -0.134 4.020 4.170 -0.028 0.000 0.248 176 I C 0.384 176.625 176.117 0.206 0.000 1.115 176 I CA 1.564 62.999 61.300 0.225 0.000 1.392 176 I CB -0.168 37.983 38.000 0.251 0.000 1.065 176 I HN 0.525 nan 8.210 nan 0.000 0.418 177 E N -0.361 119.947 120.200 0.179 0.000 2.292 177 E HA 0.254 4.587 4.350 -0.028 0.000 0.272 177 E C -1.933 174.658 176.600 -0.015 0.000 0.881 177 E CA -1.809 54.678 56.400 0.146 0.000 0.754 177 E CB 2.129 31.918 29.700 0.149 0.000 1.201 177 E HN -0.199 nan 8.360 nan 0.000 0.425 178 P HA -0.239 nan 4.420 nan 0.000 0.219 178 P C 0.734 177.963 177.300 -0.119 0.000 1.151 178 P CA 1.662 64.606 63.100 -0.260 0.000 0.850 178 P CB 0.143 31.450 31.700 -0.655 0.000 0.784 179 N N -2.093 116.564 118.700 -0.072 0.000 2.280 179 N HA 0.067 4.790 4.740 -0.028 0.000 0.192 179 N C 0.120 175.619 175.510 -0.018 0.000 1.109 179 N CA -0.125 52.910 53.050 -0.026 0.000 0.855 179 N CB 0.053 38.543 38.487 0.005 0.000 0.974 179 N HN 0.161 nan 8.380 nan 0.000 0.482 180 L N 1.151 122.366 121.223 -0.013 0.000 2.344 180 L HA 0.488 4.812 4.340 -0.028 0.000 0.272 180 L C -2.147 174.685 176.870 -0.064 0.000 1.035 180 L CA -2.277 52.548 54.840 -0.025 0.000 0.807 180 L CB 1.192 43.253 42.059 0.003 0.000 1.237 180 L HN -0.186 nan 8.230 nan 0.000 0.442 181 P HA -0.079 nan 4.420 nan 0.000 0.269 181 P C -0.879 176.302 177.300 -0.199 0.000 1.185 181 P CA 0.073 63.088 63.100 -0.142 0.000 0.769 181 P CB 0.281 31.873 31.700 -0.181 0.000 0.809 182 S N 1.467 117.099 115.700 -0.114 0.000 2.578 182 S HA 0.477 4.931 4.470 -0.028 0.000 0.283 182 S C -0.861 173.680 174.600 -0.097 0.000 1.195 182 S CA -0.633 57.545 58.200 -0.038 0.000 1.050 182 S CB 0.354 63.638 63.200 0.141 0.000 1.012 182 S HN 0.234 nan 8.310 nan 0.000 0.511 183 Y N 0.914 121.243 120.300 0.048 0.000 2.316 183 Y HA 0.410 4.943 4.550 -0.028 0.000 0.331 183 Y C 1.001 176.832 175.900 -0.114 0.000 1.083 183 Y CA -0.778 57.328 58.100 0.011 0.000 1.206 183 Y CB 0.793 39.260 38.460 0.011 0.000 1.195 183 Y HN 0.663 nan 8.280 nan 0.000 0.497 184 R N 3.253 123.709 120.500 -0.073 0.000 2.242 184 R HA 0.243 4.566 4.340 -0.028 0.000 0.334 184 R C -0.062 175.965 176.300 -0.455 0.000 1.071 184 R CA -0.034 55.695 56.100 -0.618 0.000 0.922 184 R CB 0.221 29.988 30.300 -0.889 0.000 1.023 184 R HN 0.834 nan 8.270 nan 0.000 0.458 185 I N 2.228 122.467 120.570 -0.550 0.000 2.400 185 I HA -0.079 4.074 4.170 -0.028 0.000 0.248 185 I C 1.014 176.937 176.117 -0.324 0.000 1.109 185 I CA 1.067 62.163 61.300 -0.340 0.000 1.425 185 I CB 0.015 37.780 38.000 -0.391 0.000 1.094 185 I HN 0.659 nan 8.210 nan 0.000 0.425 186 T N -3.934 110.285 114.554 -0.558 0.000 2.912 186 T HA 0.326 4.659 4.350 -0.028 0.000 0.288 186 T C -0.646 173.744 174.700 -0.517 0.000 1.030 186 T CA -0.589 61.289 62.100 -0.370 0.000 1.020 186 T CB 1.360 70.000 68.868 -0.380 0.000 1.056 186 T HN 0.196 nan 8.240 nan 0.000 0.480 187 W N 0.257 121.449 121.300 -0.180 0.000 2.518 187 W HA 0.238 4.882 4.660 -0.028 0.000 0.352 187 W C 1.830 178.296 176.519 -0.089 0.000 0.952 187 W CA -0.185 57.089 57.345 -0.119 0.000 1.624 187 W CB 0.261 29.670 29.460 -0.085 0.000 1.135 187 W HN 0.927 nan 8.180 nan 0.000 0.540 188 T N -2.857 111.733 114.554 0.060 0.000 3.060 188 T HA 0.258 4.591 4.350 -0.028 0.000 0.249 188 T C 1.340 176.031 174.700 -0.014 0.000 1.079 188 T CA 0.228 62.349 62.100 0.035 0.000 1.013 188 T CB -0.191 68.696 68.868 0.031 0.000 0.975 188 T HN 0.015 nan 8.240 nan 0.000 0.518 189 G N 1.443 110.205 108.800 -0.063 0.000 2.187 189 G HA2 0.285 4.228 3.960 -0.028 0.000 0.239 189 G HA3 0.285 4.228 3.960 -0.028 0.000 0.239 189 G C -0.535 174.301 174.900 -0.107 0.000 1.200 189 G CA -0.198 44.841 45.100 -0.102 0.000 0.888 189 G HN 0.572 nan 8.290 nan 0.000 0.482 190 K N 2.049 122.361 120.400 -0.147 0.000 2.589 190 K HA 0.131 4.434 4.320 -0.028 0.000 0.253 190 K C -0.297 176.175 176.600 -0.212 0.000 0.974 190 K CA -0.647 55.556 56.287 -0.141 0.000 0.835 190 K CB 1.607 34.060 32.500 -0.078 0.000 1.272 190 K HN 0.635 nan 8.250 nan 0.000 0.444 191 E N 2.704 122.790 120.200 -0.190 0.000 2.652 191 E HA -0.151 4.182 4.350 -0.028 0.000 0.255 191 E C -0.550 175.949 176.600 -0.168 0.000 0.952 191 E CA 1.089 57.373 56.400 -0.193 0.000 0.947 191 E CB 0.248 29.874 29.700 -0.125 0.000 0.912 191 E HN 0.604 nan 8.360 nan 0.000 0.489 192 D N 2.258 122.532 120.400 -0.210 0.000 3.046 192 D HA -0.244 4.379 4.640 -0.028 0.000 0.210 192 D C 0.428 176.747 176.300 0.032 0.000 1.124 192 D CA 1.571 55.571 54.000 -0.000 0.000 0.986 192 D CB -0.924 39.918 40.800 0.069 0.000 1.118 192 D HN 0.503 nan 8.370 nan 0.000 0.416 193 I N -1.232 119.264 120.570 -0.124 0.000 3.746 193 I HA 0.088 4.241 4.170 -0.028 0.000 0.262 193 I C 0.429 176.591 176.117 0.075 0.000 1.153 193 I CA -0.076 61.245 61.300 0.035 0.000 1.395 193 I CB 0.684 38.690 38.000 0.010 0.000 1.589 193 I HN -0.174 nan 8.210 nan 0.000 0.441 194 I N 1.582 122.108 120.570 -0.074 0.000 2.406 194 I HA 0.285 4.438 4.170 -0.028 0.000 0.290 194 I C -1.469 174.616 176.117 -0.054 0.000 0.999 194 I CA -0.389 60.938 61.300 0.045 0.000 1.124 194 I CB 0.996 39.016 38.000 0.033 0.000 1.289 194 I HN 0.054 nan 8.210 nan 0.000 0.441 195 Y N 4.507 124.896 120.300 0.149 0.000 2.328 195 Y HA 0.395 4.929 4.550 -0.027 0.000 0.333 195 Y C 0.304 176.278 175.900 0.123 0.000 0.958 195 Y CA -0.854 57.339 58.100 0.155 0.000 1.167 195 Y CB 1.122 39.743 38.460 0.268 0.000 1.151 195 Y HN 0.423 nan 8.280 nan 0.000 0.470 196 N N 1.903 120.683 118.700 0.133 0.000 2.408 196 N HA 0.357 5.080 4.740 -0.028 0.000 0.280 196 N C 0.896 176.378 175.510 -0.047 0.000 1.002 196 N CA 0.506 53.570 53.050 0.023 0.000 0.907 196 N CB 1.926 40.324 38.487 -0.149 0.000 1.161 196 N HN 0.971 nan 8.380 nan 0.000 0.488 197 G N 1.457 110.246 108.800 -0.018 0.000 2.212 197 G HA2 -0.271 3.672 3.960 -0.028 0.000 0.266 197 G HA3 -0.271 3.672 3.960 -0.028 0.000 0.266 197 G C 0.157 174.955 174.900 -0.170 0.000 0.978 197 G CA 0.930 45.954 45.100 -0.126 0.000 0.632 197 G HN 0.661 nan 8.290 nan 0.000 0.537 198 I N -1.665 118.872 120.570 -0.054 0.000 2.934 198 I HA 0.818 4.971 4.170 -0.028 0.000 0.306 198 I C 0.367 176.554 176.117 0.116 0.000 1.110 198 I CA -0.695 60.481 61.300 -0.207 0.000 1.019 198 I CB 2.005 39.705 38.000 -0.501 0.000 1.227 198 I HN 0.155 nan 8.210 nan 0.000 0.434 199 T N -0.762 113.785 114.554 -0.012 0.000 2.902 199 T HA 0.417 4.750 4.350 -0.028 0.000 0.280 199 T C -0.278 174.170 174.700 -0.419 0.000 0.992 199 T CA -0.684 61.203 62.100 -0.355 0.000 1.015 199 T CB 1.357 70.032 68.868 -0.321 0.000 1.044 199 T HN 0.768 nan 8.240 nan 0.000 0.520 200 D N -0.237 119.641 120.400 -0.870 0.000 2.478 200 D HA 0.056 4.680 4.640 -0.028 0.000 0.269 200 D C 0.970 177.150 176.300 -0.200 0.000 1.232 200 D CA -1.129 52.413 54.000 -0.764 0.000 1.059 200 D CB 0.079 40.363 40.800 -0.860 0.000 1.104 200 D HN 0.701 nan 8.370 nan 0.000 0.566 201 W N 0.077 121.287 121.300 -0.150 0.000 2.317 201 W HA -0.235 4.409 4.660 -0.028 0.000 0.318 201 W C 2.174 178.544 176.519 -0.249 0.000 1.227 201 W CA 2.388 59.631 57.345 -0.170 0.000 1.269 201 W CB -0.437 28.867 29.460 -0.260 0.000 1.155 201 W HN 0.182 nan 8.180 nan 0.000 0.484 202 V N -0.261 119.685 119.914 0.053 0.000 2.427 202 V HA -0.288 3.815 4.120 -0.028 0.000 0.248 202 V C 1.869 177.731 176.094 -0.387 0.000 1.051 202 V CA 1.991 64.205 62.300 -0.144 0.000 1.048 202 V CB -0.735 31.006 31.823 -0.136 0.000 0.666 202 V HN 0.294 nan 8.190 nan 0.000 0.456 203 Y N 0.637 120.640 120.300 -0.497 0.000 2.242 203 Y HA -0.182 4.351 4.550 -0.028 0.000 0.291 203 Y C 2.579 178.164 175.900 -0.526 0.000 1.137 203 Y CA 2.150 59.849 58.100 -0.669 0.000 1.181 203 Y CB -0.103 37.693 38.460 -1.107 0.000 0.989 203 Y HN 0.384 nan 8.280 nan 0.000 0.527 204 E N 0.363 120.398 120.200 -0.276 0.000 2.038 204 E HA -0.312 4.021 4.350 -0.028 0.000 0.195 204 E C 2.056 178.548 176.600 -0.180 0.000 1.000 204 E CA 1.680 57.990 56.400 -0.151 0.000 0.803 204 E CB -0.060 29.584 29.700 -0.094 0.000 0.750 204 E HN 0.384 nan 8.360 nan 0.000 0.448 205 E N 0.148 120.068 120.200 -0.467 0.000 2.072 205 E HA -0.156 4.177 4.350 -0.028 0.000 0.190 205 E C 1.650 178.105 176.600 -0.243 0.000 0.982 205 E CA 1.566 57.685 56.400 -0.469 0.000 0.803 205 E CB 0.159 29.201 29.700 -1.096 0.000 0.755 205 E HN 0.267 nan 8.360 nan 0.000 0.453 206 E N -0.900 119.137 120.200 -0.272 0.000 2.413 206 E HA 0.102 4.435 4.350 -0.028 0.000 0.203 206 E C 1.805 178.310 176.600 -0.158 0.000 0.957 206 E CA 0.408 56.714 56.400 -0.156 0.000 0.950 206 E CB 0.852 30.455 29.700 -0.162 0.000 0.957 206 E HN 0.188 nan 8.360 nan 0.000 0.497 207 V N 0.163 119.934 119.914 -0.239 0.000 2.735 207 V HA 0.017 4.120 4.120 -0.028 0.000 0.234 207 V C 1.647 177.865 176.094 0.206 0.000 1.121 207 V CA 0.755 62.963 62.300 -0.153 0.000 1.160 207 V CB -0.256 31.278 31.823 -0.481 0.000 0.908 207 V HN 0.038 nan 8.190 nan 0.000 0.495 208 F N 0.504 120.465 119.950 0.019 0.000 2.664 208 F HA 0.301 4.810 4.527 -0.029 0.000 0.296 208 F C 1.731 177.500 175.800 -0.053 0.000 1.125 208 F CA 0.056 58.085 58.000 0.049 0.000 1.444 208 F CB -0.986 38.083 39.000 0.115 0.000 1.114 208 F HN 0.152 nan 8.300 nan 0.000 0.576 209 S N 0.213 115.952 115.700 0.066 0.000 3.581 209 S HA 0.005 4.458 4.470 -0.028 0.000 0.354 209 S C 0.109 174.341 174.600 -0.613 0.000 1.059 209 S CA 0.511 58.609 58.200 -0.170 0.000 1.060 209 S CB -1.513 61.652 63.200 -0.059 0.000 0.908 209 S HN 0.658 nan 8.310 nan 0.000 0.475 210 A N -0.696 121.949 122.820 -0.292 0.000 2.594 210 A HA 0.632 4.935 4.320 -0.028 0.000 0.296 210 A C -0.275 177.293 177.584 -0.027 0.000 1.061 210 A CA -0.384 51.495 52.037 -0.263 0.000 0.689 210 A CB 0.399 19.285 19.000 -0.190 0.000 1.280 210 A HN 0.361 nan 8.150 nan 0.000 0.406 211 Y N 1.763 121.923 120.300 -0.234 0.000 2.314 211 Y HA -0.015 4.518 4.550 -0.028 0.000 0.293 211 Y C 1.656 177.310 175.900 -0.409 0.000 1.129 211 Y CA 1.274 59.236 58.100 -0.230 0.000 1.201 211 Y CB 0.264 38.606 38.460 -0.195 0.000 0.999 211 Y HN 0.817 nan 8.280 nan 0.000 0.541 212 S N 0.501 115.728 115.700 -0.788 0.000 2.565 212 S HA 0.522 4.975 4.470 -0.028 0.000 0.274 212 S C -0.085 174.140 174.600 -0.625 0.000 1.309 212 S CA -0.211 57.337 58.200 -1.086 0.000 1.043 212 S CB 1.632 63.657 63.200 -1.959 0.000 0.939 212 S HN 0.333 nan 8.310 nan 0.000 0.504 213 A N 4.397 126.869 122.820 -0.580 0.000 2.956 213 A HA 0.578 4.882 4.320 -0.028 0.000 0.294 213 A C -0.443 176.498 177.584 -1.073 0.000 0.993 213 A CA -0.600 51.066 52.037 -0.617 0.000 1.032 213 A CB -0.253 18.903 19.000 0.260 0.000 1.129 213 A HN 0.815 nan 8.150 nan 0.000 0.505 214 L N 0.552 120.962 121.223 -1.354 0.000 2.385 214 L HA 0.588 4.912 4.340 -0.028 0.000 0.273 214 L C -1.221 175.112 176.870 -0.894 0.000 0.990 214 L CA -0.530 53.823 54.840 -0.812 0.000 0.821 214 L CB 1.958 43.782 42.059 -0.392 0.000 1.279 214 L HN 0.486 nan 8.230 nan 0.000 0.412 215 W N 2.601 123.951 121.300 0.083 0.000 2.631 215 W HA 0.233 4.875 4.660 -0.029 0.000 0.321 215 W C -1.127 175.613 176.519 0.367 0.000 1.004 215 W CA -1.056 56.451 57.345 0.270 0.000 1.291 215 W CB 1.301 30.962 29.460 0.335 0.000 1.300 215 W HN 0.477 nan 8.180 nan 0.000 0.422 216 W N 2.581 124.087 121.300 0.344 0.000 2.190 216 W HA 0.218 4.861 4.660 -0.029 0.000 0.330 216 W C 1.377 177.688 176.519 -0.347 0.000 1.299 216 W CA 0.356 57.754 57.345 0.089 0.000 1.215 216 W CB 0.818 30.306 29.460 0.048 0.000 1.147 216 W HN 0.204 nan 8.180 nan 0.000 0.563 217 S N 2.876 118.215 115.700 -0.602 0.000 2.589 217 S HA 0.115 4.568 4.470 -0.028 0.000 0.265 217 S C -1.684 172.634 174.600 -0.470 0.000 1.342 217 S CA -0.890 56.419 58.200 -1.484 0.000 1.005 217 S CB 0.813 63.197 63.200 -1.360 0.000 0.909 217 S HN 0.308 nan 8.310 nan 0.000 0.555 218 P HA -0.131 nan 4.420 nan 0.000 0.216 218 P C 0.815 178.074 177.300 -0.069 0.000 1.150 218 P CA 1.576 64.633 63.100 -0.071 0.000 0.843 218 P CB -0.218 31.487 31.700 0.008 0.000 0.787 219 N N -2.025 116.616 118.700 -0.098 0.000 2.214 219 N HA 0.146 4.869 4.740 -0.028 0.000 0.214 219 N C 1.043 176.474 175.510 -0.131 0.000 1.132 219 N CA 0.327 53.320 53.050 -0.096 0.000 0.856 219 N CB -0.640 37.803 38.487 -0.073 0.000 1.020 219 N HN 0.153 nan 8.380 nan 0.000 0.509 220 G N -0.797 107.935 108.800 -0.114 0.000 2.159 220 G HA2 -0.339 3.604 3.960 -0.028 0.000 0.256 220 G HA3 -0.339 3.604 3.960 -0.028 0.000 0.256 220 G C 0.944 175.874 174.900 0.049 0.000 0.977 220 G CA 0.763 45.823 45.100 -0.068 0.000 0.652 220 G HN 0.375 nan 8.290 nan 0.000 0.531 221 T N -0.133 114.349 114.554 -0.120 0.000 2.777 221 T HA 0.205 4.538 4.350 -0.028 0.000 0.266 221 T C 0.765 175.255 174.700 -0.350 0.000 1.040 221 T CA 1.351 63.258 62.100 -0.322 0.000 1.141 221 T CB -0.105 68.415 68.868 -0.581 0.000 0.868 221 T HN 0.298 nan 8.240 nan 0.000 0.444 222 F N 0.093 120.073 119.950 0.051 0.000 2.470 222 F HA 0.632 5.142 4.527 -0.028 0.000 0.329 222 F C -0.263 175.594 175.800 0.096 0.000 1.072 222 F CA -1.728 56.341 58.000 0.114 0.000 0.989 222 F CB 1.222 40.367 39.000 0.242 0.000 1.193 222 F HN -0.146 nan 8.300 nan 0.000 0.481 223 L N 2.743 124.112 121.223 0.243 0.000 2.345 223 L HA 0.765 5.088 4.340 -0.028 0.000 0.274 223 L C -0.495 176.467 176.870 0.152 0.000 0.999 223 L CA -0.552 54.246 54.840 -0.070 0.000 0.849 223 L CB 0.506 42.261 42.059 -0.507 0.000 1.220 223 L HN 0.662 nan 8.230 nan 0.000 0.422 224 A N 4.809 127.811 122.820 0.303 0.000 2.316 224 A HA 0.694 4.998 4.320 -0.028 0.000 0.284 224 A C -1.224 176.437 177.584 0.129 0.000 1.115 224 A CA -0.128 51.980 52.037 0.118 0.000 0.812 224 A CB 0.297 19.465 19.000 0.280 0.000 1.064 224 A HN 0.858 nan 8.150 nan 0.000 0.489 225 Y N -1.654 118.443 120.300 -0.338 0.000 2.609 225 Y HA 0.741 5.274 4.550 -0.028 0.000 0.336 225 Y C -0.341 175.401 175.900 -0.264 0.000 1.129 225 Y CA -0.906 57.085 58.100 -0.182 0.000 1.040 225 Y CB 0.893 39.229 38.460 -0.206 0.000 1.310 225 Y HN 0.894 nan 8.280 nan 0.000 0.460 226 A N 2.314 125.230 122.820 0.160 0.000 2.320 226 A HA 0.677 4.980 4.320 -0.028 0.000 0.334 226 A C -1.172 176.334 177.584 -0.130 0.000 1.147 226 A CA -0.859 51.160 52.037 -0.030 0.000 0.820 226 A CB 1.729 20.757 19.000 0.045 0.000 1.218 226 A HN 0.827 nan 8.150 nan 0.000 0.482 227 Q N 1.029 120.686 119.800 -0.238 0.000 2.330 227 Q HA 0.613 4.936 4.340 -0.028 0.000 0.269 227 Q C -2.069 173.710 176.000 -0.369 0.000 1.022 227 Q CA -0.382 55.354 55.803 -0.112 0.000 0.796 227 Q CB 1.043 29.918 28.738 0.228 0.000 1.271 227 Q HN 0.587 nan 8.270 nan 0.000 0.450 228 F N 2.455 122.500 119.950 0.158 0.000 2.458 228 F HA 0.396 4.906 4.527 -0.028 0.000 0.336 228 F C 0.341 176.276 175.800 0.224 0.000 1.114 228 F CA -0.942 57.117 58.000 0.099 0.000 0.987 228 F CB 1.394 40.344 39.000 -0.084 0.000 1.130 228 F HN 0.449 nan 8.300 nan 0.000 0.458 229 N N 2.092 120.996 118.700 0.340 0.000 2.511 229 N HA 0.217 4.940 4.740 -0.028 0.000 0.249 229 N C -0.797 174.871 175.510 0.263 0.000 0.971 229 N CA -0.338 52.877 53.050 0.275 0.000 0.938 229 N CB 0.913 39.510 38.487 0.184 0.000 1.131 229 N HN 0.530 nan 8.380 nan 0.000 0.505 230 D N 1.402 121.980 120.400 0.298 0.000 2.388 230 D HA 0.124 4.747 4.640 -0.028 0.000 0.221 230 D C 1.179 177.586 176.300 0.178 0.000 1.133 230 D CA 0.136 54.287 54.000 0.251 0.000 0.831 230 D CB 0.493 41.498 40.800 0.341 0.000 0.962 230 D HN 0.465 nan 8.370 nan 0.000 0.502 231 T N 0.280 114.921 114.554 0.146 0.000 2.680 231 T HA -0.217 4.117 4.350 -0.028 0.000 0.268 231 T C 1.300 176.049 174.700 0.082 0.000 1.033 231 T CA 1.349 63.509 62.100 0.101 0.000 1.152 231 T CB -0.030 68.888 68.868 0.083 0.000 0.859 231 T HN 0.291 nan 8.240 nan 0.000 0.452 232 E N 0.239 120.488 120.200 0.081 0.000 2.499 232 E HA 0.186 4.519 4.350 -0.028 0.000 0.199 232 E C -0.634 176.007 176.600 0.069 0.000 1.016 232 E CA -0.239 56.199 56.400 0.064 0.000 0.933 232 E CB 0.712 30.442 29.700 0.050 0.000 1.050 232 E HN 0.189 nan 8.360 nan 0.000 0.462 233 V N 3.556 123.524 119.914 0.090 0.000 2.508 233 V HA 0.112 4.215 4.120 -0.028 0.000 0.281 233 V C -2.006 174.137 176.094 0.083 0.000 1.041 233 V CA -1.523 60.833 62.300 0.093 0.000 1.016 233 V CB 0.340 32.235 31.823 0.119 0.000 0.984 233 V HN 0.071 nan 8.190 nan 0.000 0.478 234 P HA 0.291 nan 4.420 nan 0.000 0.272 234 P C -0.826 176.507 177.300 0.055 0.000 1.230 234 P CA -0.284 62.848 63.100 0.054 0.000 0.788 234 P CB 0.534 32.264 31.700 0.051 0.000 0.949 235 L N 1.850 123.083 121.223 0.016 0.000 2.317 235 L HA 0.472 4.795 4.340 -0.028 0.000 0.281 235 L C 0.303 177.119 176.870 -0.090 0.000 1.024 235 L CA -0.913 53.918 54.840 -0.014 0.000 0.810 235 L CB 1.105 43.150 42.059 -0.024 0.000 1.240 235 L HN 0.281 nan 8.230 nan 0.000 0.427 236 I N 2.184 122.650 120.570 -0.175 0.000 2.428 236 I HA 0.258 4.412 4.170 -0.028 0.000 0.289 236 I C -0.342 175.611 176.117 -0.273 0.000 1.019 236 I CA 0.319 61.414 61.300 -0.342 0.000 1.351 236 I CB 0.696 38.221 38.000 -0.793 0.000 1.412 236 I HN 0.586 nan 8.210 nan 0.000 0.513 237 E N 7.286 127.348 120.200 -0.230 0.000 2.222 237 E HA 0.539 4.872 4.350 -0.028 0.000 0.267 237 E C -1.733 174.782 176.600 -0.142 0.000 0.884 237 E CA -0.603 55.655 56.400 -0.236 0.000 0.764 237 E CB 2.071 31.672 29.700 -0.166 0.000 1.169 237 E HN 0.580 nan 8.360 nan 0.000 0.413 238 Y N -1.968 118.244 120.300 -0.147 0.000 2.638 238 Y HA 0.531 5.064 4.550 -0.027 0.000 0.335 238 Y C -0.819 175.008 175.900 -0.121 0.000 1.155 238 Y CA -1.308 56.715 58.100 -0.130 0.000 1.046 238 Y CB 0.738 39.129 38.460 -0.115 0.000 1.303 238 Y HN 0.226 nan 8.280 nan 0.000 0.460 239 S N 1.613 117.315 115.700 0.005 0.000 2.562 239 S HA 0.512 4.966 4.470 -0.028 0.000 0.275 239 S C -1.430 173.034 174.600 -0.227 0.000 1.281 239 S CA -0.422 57.615 58.200 -0.271 0.000 1.045 239 S CB 0.481 63.313 63.200 -0.613 0.000 0.962 239 S HN 0.539 nan 8.310 nan 0.000 0.503 240 F N 2.256 121.961 119.950 -0.408 0.000 2.477 240 F HA 0.422 4.932 4.527 -0.028 0.000 0.335 240 F C -0.196 175.402 175.800 -0.337 0.000 1.130 240 F CA -0.808 57.054 58.000 -0.230 0.000 0.948 240 F CB 0.804 39.786 39.000 -0.029 0.000 1.154 240 F HN 0.662 nan 8.300 nan 0.000 0.439 241 Y N 2.722 122.821 120.300 -0.335 0.000 2.448 241 Y HA 0.115 4.648 4.550 -0.028 0.000 0.289 241 Y C 1.673 177.500 175.900 -0.122 0.000 1.114 241 Y CA 1.097 59.084 58.100 -0.187 0.000 1.235 241 Y CB -0.491 37.846 38.460 -0.206 0.000 1.045 241 Y HN 0.737 nan 8.280 nan 0.000 0.554 242 S N -0.349 115.264 115.700 -0.146 0.000 3.513 242 S HA -0.216 4.238 4.470 -0.028 0.000 0.636 242 S C -0.600 174.051 174.600 0.085 0.000 2.452 242 S CA 0.088 58.367 58.200 0.132 0.000 2.644 242 S CB -1.100 62.274 63.200 0.289 0.000 0.331 242 S HN 0.461 nan 8.310 nan 0.000 1.787 243 D N 1.616 122.086 120.400 0.117 0.000 2.400 243 D HA 0.109 4.732 4.640 -0.028 0.000 0.238 243 D C 1.398 177.733 176.300 0.058 0.000 1.157 243 D CA 0.484 54.530 54.000 0.076 0.000 0.889 243 D CB 0.301 41.147 40.800 0.077 0.000 1.199 243 D HN 0.663 nan 8.370 nan 0.000 0.436 244 E N 0.773 120.994 120.200 0.036 0.000 2.219 244 E HA -0.245 4.088 4.350 -0.028 0.000 0.198 244 E C 1.524 178.139 176.600 0.025 0.000 0.998 244 E CA 1.344 57.757 56.400 0.022 0.000 0.818 244 E CB 0.135 29.841 29.700 0.010 0.000 0.741 244 E HN 0.428 nan 8.360 nan 0.000 0.477 245 S N 0.123 115.844 115.700 0.035 0.000 2.447 245 S HA -0.094 4.359 4.470 -0.028 0.000 0.233 245 S C 1.152 175.780 174.600 0.046 0.000 1.006 245 S CA 0.081 58.302 58.200 0.036 0.000 0.957 245 S CB -0.250 62.974 63.200 0.040 0.000 0.773 245 S HN 0.288 nan 8.310 nan 0.000 0.507 246 L N 2.308 123.568 121.223 0.060 0.000 2.433 246 L HA 0.153 4.476 4.340 -0.028 0.000 0.275 246 L C 1.599 178.503 176.870 0.057 0.000 1.128 246 L CA 0.001 54.888 54.840 0.077 0.000 0.875 246 L CB 1.020 43.141 42.059 0.103 0.000 1.171 246 L HN 0.462 nan 8.230 nan 0.000 0.463 247 Q N 4.104 123.942 119.800 0.063 0.000 2.049 247 Q HA -0.086 4.237 4.340 -0.028 0.000 0.198 247 Q C -0.547 175.370 176.000 -0.139 0.000 0.971 247 Q CA 1.271 57.056 55.803 -0.030 0.000 0.833 247 Q CB 0.211 28.953 28.738 0.006 0.000 0.896 247 Q HN 0.593 nan 8.270 nan 0.000 0.434 248 Y N 0.850 121.163 120.300 0.021 0.000 2.335 248 Y HA 0.377 4.910 4.550 -0.028 0.000 0.338 248 Y C -2.009 173.897 175.900 0.011 0.000 0.977 248 Y CA -2.879 55.230 58.100 0.014 0.000 1.114 248 Y CB 1.283 39.744 38.460 0.000 0.000 1.182 248 Y HN 0.180 nan 8.280 nan 0.000 0.463 249 P HA 0.007 nan 4.420 nan 0.000 0.268 249 P C -0.755 176.550 177.300 0.008 0.000 1.208 249 P CA -0.427 62.682 63.100 0.014 0.000 0.777 249 P CB 0.715 32.350 31.700 -0.108 0.000 0.875 250 K N 0.788 121.178 120.400 -0.016 0.000 2.110 250 K HA 0.380 4.683 4.320 -0.028 0.000 0.263 250 K C -0.742 175.810 176.600 -0.079 0.000 0.975 250 K CA -0.404 55.875 56.287 -0.013 0.000 0.895 250 K CB 0.646 33.166 32.500 0.033 0.000 1.060 250 K HN 0.295 nan 8.250 nan 0.000 0.448 251 T N 2.931 117.426 114.554 -0.098 0.000 2.743 251 T HA 0.228 4.562 4.350 -0.028 0.000 0.292 251 T C -0.609 173.967 174.700 -0.206 0.000 0.972 251 T CA -0.614 61.393 62.100 -0.155 0.000 0.967 251 T CB 0.908 69.698 68.868 -0.129 0.000 0.926 251 T HN 0.306 nan 8.240 nan 0.000 0.459 252 V N 5.671 125.374 119.914 -0.351 0.000 2.583 252 V HA 0.419 4.522 4.120 -0.028 0.000 0.287 252 V C 0.468 176.284 176.094 -0.464 0.000 1.051 252 V CA -0.470 61.572 62.300 -0.430 0.000 1.010 252 V CB 0.720 32.142 31.823 -0.668 0.000 0.988 252 V HN 0.720 nan 8.190 nan 0.000 0.478 253 R N 3.451 123.805 120.500 -0.244 0.000 2.476 253 R HA 0.730 5.053 4.340 -0.028 0.000 0.305 253 R C -1.748 174.522 176.300 -0.050 0.000 0.965 253 R CA -0.613 55.387 56.100 -0.167 0.000 0.867 253 R CB 2.196 32.434 30.300 -0.103 0.000 1.176 253 R HN 0.501 nan 8.270 nan 0.000 0.447 254 V N 3.610 123.494 119.914 -0.049 0.000 2.577 254 V HA 0.332 4.436 4.120 -0.028 0.000 0.303 254 V C -2.396 173.737 176.094 0.066 0.000 1.042 254 V CA -2.515 59.824 62.300 0.064 0.000 0.872 254 V CB 2.247 34.068 31.823 -0.003 0.000 0.998 254 V HN 0.606 nan 8.190 nan 0.000 0.423 255 P HA 0.144 nan 4.420 nan 0.000 0.264 255 P C -1.281 176.116 177.300 0.162 0.000 1.229 255 P CA 0.522 63.718 63.100 0.160 0.000 0.780 255 P CB -0.290 31.548 31.700 0.229 0.000 0.808 256 Y N 6.169 126.443 120.300 -0.044 0.000 2.307 256 Y HA 0.385 4.918 4.550 -0.028 0.000 0.323 256 Y C -2.726 173.144 175.900 -0.049 0.000 1.100 256 Y CA -2.854 55.177 58.100 -0.115 0.000 1.140 256 Y CB 2.057 40.339 38.460 -0.297 0.000 1.159 256 Y HN 0.287 nan 8.280 nan 0.000 0.436 257 P HA 0.241 nan 4.420 nan 0.000 0.286 257 P C -1.059 176.292 177.300 0.085 0.000 1.321 257 P CA -0.131 63.004 63.100 0.057 0.000 0.790 257 P CB 1.048 32.752 31.700 0.007 0.000 0.897 258 K N 1.926 122.470 120.400 0.239 0.000 2.102 258 K HA 0.535 4.838 4.320 -0.028 0.000 0.244 258 K C 0.514 177.216 176.600 0.169 0.000 1.021 258 K CA -0.769 55.676 56.287 0.263 0.000 0.913 258 K CB 0.546 33.214 32.500 0.279 0.000 1.062 258 K HN 0.419 nan 8.250 nan 0.000 0.485 259 A N 0.776 123.720 122.820 0.207 0.000 2.580 259 A HA 0.245 4.548 4.320 -0.028 0.000 0.244 259 A C 1.227 178.851 177.584 0.067 0.000 1.045 259 A CA 1.053 53.199 52.037 0.182 0.000 0.761 259 A CB -1.232 17.965 19.000 0.328 0.000 0.962 259 A HN 0.913 nan 8.150 nan 0.000 0.512 260 G N 0.979 109.807 108.800 0.048 0.000 2.212 260 G HA2 0.084 4.027 3.960 -0.028 0.000 0.266 260 G HA3 0.084 4.027 3.960 -0.028 0.000 0.266 260 G C 0.710 175.620 174.900 0.017 0.000 0.978 260 G CA 0.865 45.966 45.100 0.002 0.000 0.632 260 G HN 2.215 nan 8.290 nan 0.000 0.537 261 A N -0.380 122.466 122.820 0.044 0.000 2.280 261 A HA 0.727 5.030 4.320 -0.028 0.000 0.268 261 A C 0.901 178.510 177.584 0.042 0.000 1.111 261 A CA 0.320 52.385 52.037 0.047 0.000 0.814 261 A CB 0.641 19.684 19.000 0.072 0.000 1.093 261 A HN 1.160 nan 8.150 nan 0.000 0.498 262 V N 2.307 122.246 119.914 0.041 0.000 2.585 262 V HA 0.016 4.119 4.120 -0.028 0.000 0.296 262 V C 0.342 176.468 176.094 0.054 0.000 1.035 262 V CA 0.019 62.342 62.300 0.039 0.000 1.084 262 V CB -0.061 31.785 31.823 0.039 0.000 0.953 262 V HN 0.810 nan 8.190 nan 0.000 0.483 263 N N 6.062 124.791 118.700 0.048 0.000 2.495 263 N HA 0.463 5.187 4.740 -0.028 0.000 0.280 263 N C -2.404 173.170 175.510 0.108 0.000 1.168 263 N CA -1.546 51.551 53.050 0.078 0.000 0.978 263 N CB 1.122 39.648 38.487 0.065 0.000 1.191 263 N HN 0.394 nan 8.380 nan 0.000 0.497 264 P HA 0.050 nan 4.420 nan 0.000 0.269 264 P C -0.430 177.005 177.300 0.225 0.000 1.215 264 P CA -0.027 63.207 63.100 0.223 0.000 0.780 264 P CB 0.280 32.158 31.700 0.296 0.000 0.898 265 T N -1.332 113.337 114.554 0.192 0.000 2.944 265 T HA 0.584 4.918 4.350 -0.028 0.000 0.284 265 T C -0.212 174.605 174.700 0.195 0.000 1.010 265 T CA -0.865 61.313 62.100 0.129 0.000 1.025 265 T CB 1.588 70.499 68.868 0.071 0.000 1.079 265 T HN 0.355 nan 8.240 nan 0.000 0.516 266 V N 0.279 120.289 119.914 0.160 0.000 2.876 266 V HA 0.746 4.849 4.120 -0.028 0.000 0.312 266 V C -1.542 174.628 176.094 0.126 0.000 1.085 266 V CA -0.871 61.489 62.300 0.101 0.000 0.945 266 V CB 2.019 33.938 31.823 0.159 0.000 1.017 266 V HN 1.018 nan 8.190 nan 0.000 0.428 267 K N 4.478 124.891 120.400 0.021 0.000 2.426 267 K HA 0.568 4.871 4.320 -0.028 0.000 0.251 267 K C -1.873 174.654 176.600 -0.121 0.000 0.941 267 K CA -0.483 55.788 56.287 -0.027 0.000 0.808 267 K CB 2.706 35.196 32.500 -0.018 0.000 1.265 267 K HN 0.579 nan 8.250 nan 0.000 0.432 268 F N 2.124 121.790 119.950 -0.474 0.000 2.508 268 F HA 0.596 5.107 4.527 -0.028 0.000 0.325 268 F C -1.283 173.968 175.800 -0.914 0.000 1.090 268 F CA -0.622 57.084 58.000 -0.490 0.000 0.945 268 F CB 0.877 39.721 39.000 -0.261 0.000 1.156 268 F HN 0.392 nan 8.300 nan 0.000 0.463 269 F N 3.190 122.445 119.950 -1.157 0.000 2.613 269 F HA 0.709 5.219 4.527 -0.028 0.000 0.310 269 F C -1.127 174.051 175.800 -1.037 0.000 1.085 269 F CA -1.137 56.282 58.000 -0.968 0.000 0.945 269 F CB 2.082 40.388 39.000 -1.156 0.000 1.298 269 F HN 0.126 nan 8.300 nan 0.000 0.455 270 V N 2.457 122.164 119.914 -0.345 0.000 2.638 270 V HA 0.661 4.764 4.120 -0.028 0.000 0.306 270 V C -1.226 174.952 176.094 0.141 0.000 1.052 270 V CA -0.853 61.325 62.300 -0.202 0.000 0.885 270 V CB 1.997 33.490 31.823 -0.550 0.000 0.999 270 V HN 0.601 nan 8.190 nan 0.000 0.424 271 V N 3.812 123.883 119.914 0.262 0.000 2.604 271 V HA 0.557 4.660 4.120 -0.028 0.000 0.305 271 V C -0.380 175.950 176.094 0.394 0.000 1.043 271 V CA -0.613 61.870 62.300 0.305 0.000 0.888 271 V CB 2.144 34.095 31.823 0.215 0.000 0.995 271 V HN 0.937 nan 8.190 nan 0.000 0.429 272 N N 3.420 122.344 118.700 0.373 0.000 2.401 272 N HA 0.115 4.838 4.740 -0.028 0.000 0.255 272 N C 1.031 176.571 175.510 0.050 0.000 1.110 272 N CA 0.631 53.818 53.050 0.228 0.000 0.949 272 N CB 1.637 40.246 38.487 0.205 0.000 1.110 272 N HN 0.893 nan 8.380 nan 0.000 0.490 273 T N -0.601 113.955 114.554 0.004 0.000 3.129 273 T HA 0.086 4.419 4.350 -0.028 0.000 0.251 273 T C 0.583 175.242 174.700 -0.069 0.000 1.117 273 T CA 0.361 62.457 62.100 -0.006 0.000 1.034 273 T CB 0.224 69.184 68.868 0.152 0.000 0.968 273 T HN 0.237 nan 8.240 nan 0.000 0.526 274 D N 1.906 122.244 120.400 -0.103 0.000 2.346 274 D HA 0.068 4.692 4.640 -0.028 0.000 0.206 274 D C 1.361 177.610 176.300 -0.085 0.000 1.001 274 D CA 0.640 54.579 54.000 -0.103 0.000 0.871 274 D CB 0.306 41.022 40.800 -0.140 0.000 0.943 274 D HN 0.627 nan 8.370 nan 0.000 0.518 275 S N 0.236 115.891 115.700 -0.076 0.000 2.581 275 S HA 0.211 4.665 4.470 -0.028 0.000 0.245 275 S C 0.469 175.017 174.600 -0.088 0.000 1.115 275 S CA -0.678 57.493 58.200 -0.048 0.000 1.093 275 S CB 0.309 63.511 63.200 0.004 0.000 0.853 275 S HN -0.152 nan 8.310 nan 0.000 0.479 276 L N 1.972 123.073 121.223 -0.203 0.000 2.468 276 L HA 0.539 4.863 4.340 -0.028 0.000 0.253 276 L C 0.905 177.648 176.870 -0.212 0.000 1.237 276 L CA 0.458 55.096 54.840 -0.335 0.000 0.823 276 L CB 0.893 42.391 42.059 -0.935 0.000 1.124 276 L HN 0.567 nan 8.230 nan 0.000 0.504 277 S N -1.288 114.357 115.700 -0.091 0.000 2.704 277 S HA 0.504 4.957 4.470 -0.028 0.000 0.296 277 S C 0.257 175.112 174.600 0.425 0.000 1.138 277 S CA -0.206 58.070 58.200 0.126 0.000 0.875 277 S CB 1.600 64.859 63.200 0.098 0.000 1.151 277 S HN 0.502 nan 8.310 nan 0.000 0.500 278 S N 0.833 116.731 115.700 0.330 0.000 2.568 278 S HA 0.264 4.717 4.470 -0.028 0.000 0.232 278 S C 0.544 175.239 174.600 0.158 0.000 0.975 278 S CA -0.246 58.104 58.200 0.250 0.000 0.949 278 S CB 0.624 63.919 63.200 0.159 0.000 0.829 278 S HN 0.441 nan 8.310 nan 0.000 0.479 279 V N 1.184 121.187 119.914 0.149 0.000 3.251 279 V HA 0.181 4.284 4.120 -0.028 0.000 0.239 279 V C 1.019 177.166 176.094 0.088 0.000 1.332 279 V CA 1.172 63.532 62.300 0.099 0.000 1.224 279 V CB 0.868 32.737 31.823 0.076 0.000 1.004 279 V HN 0.601 nan 8.190 nan 0.000 0.464 280 T N -1.025 113.585 114.554 0.092 0.000 2.945 280 T HA 0.440 4.773 4.350 -0.028 0.000 0.286 280 T C -0.237 174.522 174.700 0.099 0.000 1.025 280 T CA -0.593 61.548 62.100 0.068 0.000 1.039 280 T CB 1.538 70.436 68.868 0.050 0.000 1.068 280 T HN 0.088 nan 8.240 nan 0.000 0.497 281 N N 1.120 119.863 118.700 0.072 0.000 2.508 281 N HA 0.445 5.168 4.740 -0.028 0.000 0.264 281 N C 0.336 175.915 175.510 0.115 0.000 1.216 281 N CA -0.135 52.992 53.050 0.129 0.000 0.943 281 N CB 0.837 39.349 38.487 0.042 0.000 1.113 281 N HN 0.995 nan 8.380 nan 0.000 0.447 282 A N 0.821 123.725 122.820 0.141 0.000 2.466 282 A HA 0.254 4.558 4.320 -0.028 0.000 0.238 282 A C 0.588 178.227 177.584 0.092 0.000 1.074 282 A CA 0.003 52.094 52.037 0.089 0.000 0.774 282 A CB -0.025 19.011 19.000 0.059 0.000 1.015 282 A HN 0.600 nan 8.150 nan 0.000 0.498 283 T N 0.498 115.110 114.554 0.097 0.000 2.791 283 T HA 0.542 4.875 4.350 -0.028 0.000 0.288 283 T C -0.286 174.502 174.700 0.147 0.000 0.999 283 T CA -0.394 61.771 62.100 0.109 0.000 0.952 283 T CB 0.267 69.200 68.868 0.109 0.000 0.938 283 T HN 0.505 nan 8.240 nan 0.000 0.444 284 S N 5.385 121.165 115.700 0.135 0.000 2.499 284 S HA 0.487 4.940 4.470 -0.028 0.000 0.279 284 S C 0.169 174.930 174.600 0.269 0.000 1.219 284 S CA -0.848 57.461 58.200 0.182 0.000 1.062 284 S CB 0.276 63.517 63.200 0.068 0.000 0.978 284 S HN 0.671 nan 8.310 nan 0.000 0.489 285 I N 3.365 124.105 120.570 0.284 0.000 2.325 285 I HA 0.235 4.389 4.170 -0.028 0.000 0.291 285 I C 0.598 176.831 176.117 0.194 0.000 1.019 285 I CA -0.190 61.279 61.300 0.282 0.000 1.302 285 I CB 0.818 39.058 38.000 0.400 0.000 1.401 285 I HN 0.675 nan 8.210 nan 0.000 0.485 286 Q N 6.349 126.231 119.800 0.135 0.000 2.286 286 Q HA 0.437 4.760 4.340 -0.028 0.000 0.257 286 Q C -0.956 174.980 176.000 -0.106 0.000 0.941 286 Q CA -0.374 55.312 55.803 -0.194 0.000 0.912 286 Q CB 1.164 29.742 28.738 -0.266 0.000 1.192 286 Q HN 0.538 nan 8.270 nan 0.000 0.410 287 I N 4.275 124.766 120.570 -0.133 0.000 2.330 287 I HA 0.196 4.349 4.170 -0.028 0.000 0.289 287 I C 0.346 176.434 176.117 -0.047 0.000 1.001 287 I CA -0.678 60.607 61.300 -0.024 0.000 1.193 287 I CB 1.421 39.437 38.000 0.027 0.000 1.345 287 I HN 0.680 nan 8.210 nan 0.000 0.461 288 T N 3.099 117.597 114.554 -0.093 0.000 2.910 288 T HA 0.613 4.947 4.350 -0.028 0.000 0.293 288 T C 0.385 174.890 174.700 -0.324 0.000 1.015 288 T CA -0.835 61.156 62.100 -0.181 0.000 1.094 288 T CB 1.604 70.370 68.868 -0.171 0.000 0.968 288 T HN 0.616 nan 8.240 nan 0.000 0.521 289 A N 3.640 126.047 122.820 -0.688 0.000 2.448 289 A HA 0.512 4.815 4.320 -0.028 0.000 0.239 289 A C -2.102 174.997 177.584 -0.807 0.000 1.080 289 A CA -1.260 49.933 52.037 -1.406 0.000 0.779 289 A CB -0.938 16.825 19.000 -2.060 0.000 1.026 289 A HN 0.739 nan 8.150 nan 0.000 0.499 290 P HA 0.201 nan 4.420 nan 0.000 0.269 290 P C 0.751 177.841 177.300 -0.350 0.000 1.215 290 P CA 0.584 63.454 63.100 -0.384 0.000 0.780 290 P CB 0.593 32.135 31.700 -0.264 0.000 0.898 291 A N 2.050 124.735 122.820 -0.224 0.000 2.024 291 A HA -0.201 4.102 4.320 -0.028 0.000 0.220 291 A C 2.053 179.534 177.584 -0.171 0.000 1.164 291 A CA 2.264 54.192 52.037 -0.182 0.000 0.643 291 A CB -1.741 17.185 19.000 -0.123 0.000 0.806 291 A HN 0.629 nan 8.150 nan 0.000 0.451 292 S N -1.427 114.187 115.700 -0.143 0.000 2.447 292 S HA -0.053 4.400 4.470 -0.028 0.000 0.233 292 S C 1.696 176.216 174.600 -0.134 0.000 1.006 292 S CA 1.428 59.569 58.200 -0.099 0.000 0.957 292 S CB -0.236 62.984 63.200 0.034 0.000 0.773 292 S HN 0.416 nan 8.310 nan 0.000 0.507 293 M N 0.582 120.030 119.600 -0.253 0.000 2.615 293 M HA 0.379 4.842 4.480 -0.028 0.000 0.262 293 M C 1.872 177.914 176.300 -0.430 0.000 1.198 293 M CA 0.548 55.630 55.300 -0.363 0.000 1.165 293 M CB -0.985 31.223 32.600 -0.653 0.000 1.310 293 M HN 0.311 nan 8.290 nan 0.000 0.494 294 L N 0.016 120.988 121.223 -0.418 0.000 2.456 294 L HA -0.140 4.183 4.340 -0.028 0.000 0.224 294 L C 2.124 178.935 176.870 -0.098 0.000 1.148 294 L CA 0.317 55.003 54.840 -0.258 0.000 0.825 294 L CB -0.531 41.386 42.059 -0.237 0.000 0.937 294 L HN 0.170 nan 8.230 nan 0.000 0.450 295 I N -0.390 120.119 120.570 -0.101 0.000 3.176 295 I HA 0.056 4.209 4.170 -0.028 0.000 0.275 295 I C 0.985 177.083 176.117 -0.031 0.000 1.298 295 I CA 0.323 61.584 61.300 -0.065 0.000 1.445 295 I CB -0.452 37.498 38.000 -0.083 0.000 1.075 295 I HN 0.113 nan 8.210 nan 0.000 0.482 296 G N -1.397 107.409 108.800 0.010 0.000 2.561 296 G HA2 0.205 4.148 3.960 -0.028 0.000 0.310 296 G HA3 0.205 4.148 3.960 -0.028 0.000 0.310 296 G C -1.570 173.375 174.900 0.074 0.000 1.292 296 G CA -0.729 44.382 45.100 0.019 0.000 0.811 296 G HN -0.093 nan 8.290 nan 0.000 0.482 297 D N 1.332 121.713 120.400 -0.032 0.000 2.443 297 D HA 0.424 5.048 4.640 -0.028 0.000 0.239 297 D C 0.422 176.629 176.300 -0.155 0.000 1.136 297 D CA 0.807 54.709 54.000 -0.163 0.000 0.879 297 D CB 0.352 41.038 40.800 -0.190 0.000 1.195 297 D HN 0.556 nan 8.370 nan 0.000 0.443 298 H N -0.870 118.051 119.070 -0.249 0.000 2.960 298 H HA 0.440 4.979 4.556 -0.028 0.000 0.323 298 H C -1.360 173.829 175.328 -0.232 0.000 1.326 298 H CA -0.822 55.094 56.048 -0.220 0.000 1.124 298 H CB 0.361 30.114 29.762 -0.014 0.000 1.853 298 H HN 0.289 nan 8.280 nan 0.000 0.536 299 Y N 0.074 120.630 120.300 0.428 0.000 2.545 299 Y HA 0.391 4.925 4.550 -0.027 0.000 0.348 299 Y C -0.317 175.918 175.900 0.560 0.000 1.002 299 Y CA -1.181 57.175 58.100 0.426 0.000 1.039 299 Y CB 1.935 40.490 38.460 0.158 0.000 1.271 299 Y HN 0.485 nan 8.280 nan 0.000 0.467 300 L N 2.904 124.535 121.223 0.681 0.000 2.276 300 L HA 0.403 4.726 4.340 -0.028 0.000 0.286 300 L C 0.398 177.470 176.870 0.338 0.000 1.061 300 L CA -0.286 54.618 54.840 0.108 0.000 0.807 300 L CB 0.468 42.470 42.059 -0.095 0.000 1.177 300 L HN 0.982 nan 8.230 nan 0.000 0.429 301 C N 0.885 120.243 119.300 0.098 0.000 3.364 301 C HA 0.583 5.026 4.460 -0.028 0.000 0.340 301 C C 0.271 175.309 174.990 0.080 0.000 1.336 301 C CA -0.087 59.052 59.018 0.203 0.000 1.778 301 C CB -0.952 26.864 27.740 0.126 0.000 2.398 301 C HN 0.883 nan 8.230 nan 0.000 0.667 302 D N -0.256 120.017 120.400 -0.211 0.000 2.886 302 D HA 0.564 5.187 4.640 -0.028 0.000 0.216 302 D C -1.556 174.337 176.300 -0.679 0.000 1.256 302 D CA -0.163 53.616 54.000 -0.367 0.000 0.844 302 D CB 2.288 42.928 40.800 -0.267 0.000 1.669 302 D HN 0.010 nan 8.370 nan 0.000 0.513 303 V N 2.918 122.313 119.914 -0.864 0.000 2.443 303 V HA 0.617 4.721 4.120 -0.028 0.000 0.293 303 V C -0.550 175.069 176.094 -0.792 0.000 1.021 303 V CA -0.405 61.211 62.300 -1.139 0.000 0.848 303 V CB 1.837 32.412 31.823 -2.080 0.000 0.998 303 V HN 0.717 nan 8.190 nan 0.000 0.424 304 T N 3.884 118.092 114.554 -0.577 0.000 2.949 304 T HA 0.353 4.686 4.350 -0.028 0.000 0.300 304 T C -0.837 173.714 174.700 -0.249 0.000 0.988 304 T CA -0.430 61.505 62.100 -0.275 0.000 0.993 304 T CB 0.796 69.580 68.868 -0.140 0.000 0.984 304 T HN 0.527 nan 8.240 nan 0.000 0.442 305 W N 2.274 123.521 121.300 -0.088 0.000 2.253 305 W HA 0.466 5.108 4.660 -0.029 0.000 0.322 305 W C 1.124 177.539 176.519 -0.172 0.000 1.342 305 W CA -0.369 56.925 57.345 -0.085 0.000 1.218 305 W CB 0.582 30.071 29.460 0.049 0.000 1.205 305 W HN 0.849 nan 8.180 nan 0.000 0.551 306 A N 2.209 124.912 122.820 -0.196 0.000 1.942 306 A HA 0.191 4.494 4.320 -0.028 0.000 0.209 306 A C 0.941 178.455 177.584 -0.117 0.000 1.214 306 A CA 1.525 53.185 52.037 -0.629 0.000 0.686 306 A CB -0.268 17.736 19.000 -1.660 0.000 0.871 306 A HN 0.534 nan 8.150 nan 0.000 0.460 307 T N -5.740 108.859 114.554 0.075 0.000 2.618 307 T HA 0.319 4.653 4.350 -0.028 0.000 0.293 307 T C 0.219 175.079 174.700 0.267 0.000 1.093 307 T CA -0.287 61.903 62.100 0.151 0.000 1.061 307 T CB 0.560 69.497 68.868 0.114 0.000 1.498 307 T HN -0.056 nan 8.240 nan 0.000 0.494 308 Q N 0.468 120.388 119.800 0.200 0.000 2.170 308 Q HA 0.001 4.324 4.340 -0.028 0.000 0.203 308 Q C 0.958 177.204 176.000 0.411 0.000 0.976 308 Q CA 1.638 57.564 55.803 0.204 0.000 0.858 308 Q CB -0.141 28.673 28.738 0.126 0.000 0.907 308 Q HN 0.837 nan 8.270 nan 0.000 0.433 309 E N -0.192 120.245 120.200 0.395 0.000 2.758 309 E HA 0.189 4.522 4.350 -0.028 0.000 0.215 309 E C -0.125 176.716 176.600 0.402 0.000 0.985 309 E CA -0.189 56.453 56.400 0.404 0.000 1.102 309 E CB 0.972 30.811 29.700 0.232 0.000 1.042 309 E HN -0.028 nan 8.360 nan 0.000 0.480 310 R N 1.734 122.495 120.500 0.436 0.000 2.502 310 R HA 0.521 4.844 4.340 -0.028 0.000 0.300 310 R C -1.631 174.708 176.300 0.065 0.000 0.984 310 R CA -0.445 55.793 56.100 0.230 0.000 0.882 310 R CB 1.177 31.497 30.300 0.033 0.000 1.180 310 R HN 0.070 nan 8.270 nan 0.000 0.444 311 I N 3.332 123.797 120.570 -0.175 0.000 2.509 311 I HA 0.407 4.560 4.170 -0.028 0.000 0.293 311 I C -0.852 174.959 176.117 -0.510 0.000 1.020 311 I CA -0.522 60.384 61.300 -0.657 0.000 1.088 311 I CB 2.178 39.321 38.000 -1.427 0.000 1.267 311 I HN 0.851 nan 8.210 nan 0.000 0.430 312 S N 7.586 122.975 115.700 -0.518 0.000 2.475 312 S HA 0.745 5.198 4.470 -0.028 0.000 0.298 312 S C -1.110 173.160 174.600 -0.550 0.000 1.119 312 S CA -0.678 57.286 58.200 -0.393 0.000 1.085 312 S CB 1.649 64.737 63.200 -0.187 0.000 1.028 312 S HN 0.424 nan 8.310 nan 0.000 0.489 313 L N 2.598 123.503 121.223 -0.531 0.000 2.385 313 L HA 0.520 4.844 4.340 -0.028 0.000 0.273 313 L C -0.228 176.303 176.870 -0.565 0.000 0.990 313 L CA -0.168 54.229 54.840 -0.739 0.000 0.821 313 L CB 1.826 43.359 42.059 -0.877 0.000 1.279 313 L HN 0.835 nan 8.230 nan 0.000 0.412 314 Q N 2.139 121.583 119.800 -0.593 0.000 2.282 314 Q HA 0.505 4.828 4.340 -0.028 0.000 0.260 314 Q C -1.531 174.229 176.000 -0.400 0.000 0.964 314 Q CA -0.400 55.193 55.803 -0.350 0.000 0.880 314 Q CB 2.044 30.645 28.738 -0.228 0.000 1.286 314 Q HN 0.499 nan 8.270 nan 0.000 0.445 315 W N 2.309 123.574 121.300 -0.058 0.000 2.781 315 W HA 0.651 5.294 4.660 -0.027 0.000 0.345 315 W C -0.856 175.713 176.519 0.084 0.000 1.085 315 W CA -0.570 56.791 57.345 0.028 0.000 1.198 315 W CB 1.375 30.816 29.460 -0.031 0.000 1.423 315 W HN 0.291 nan 8.180 nan 0.000 0.532 316 L N 3.140 124.625 121.223 0.436 0.000 2.438 316 L HA 0.510 4.833 4.340 -0.028 0.000 0.270 316 L C 0.023 177.108 176.870 0.358 0.000 0.972 316 L CA -1.029 54.023 54.840 0.354 0.000 0.831 316 L CB 1.460 43.729 42.059 0.351 0.000 1.273 316 L HN 0.504 nan 8.230 nan 0.000 0.405 317 R N 2.523 123.191 120.500 0.280 0.000 2.734 317 R HA 0.090 4.413 4.340 -0.028 0.000 0.266 317 R C 0.995 177.365 176.300 0.117 0.000 1.044 317 R CA -0.223 55.981 56.100 0.173 0.000 1.128 317 R CB 0.690 31.075 30.300 0.142 0.000 1.010 317 R HN 0.620 nan 8.270 nan 0.000 0.461 318 R N 1.441 121.906 120.500 -0.059 0.000 2.105 318 R HA -0.096 4.227 4.340 -0.028 0.000 0.239 318 R C 0.356 176.709 176.300 0.088 0.000 1.135 318 R CA 1.242 57.292 56.100 -0.083 0.000 0.967 318 R CB -0.047 30.148 30.300 -0.174 0.000 0.861 318 R HN 0.481 nan 8.270 nan 0.000 0.442 319 I N 2.050 122.659 120.570 0.065 0.000 2.308 319 I HA 0.004 4.157 4.170 -0.028 0.000 0.293 319 I C 0.469 176.656 176.117 0.117 0.000 1.078 319 I CA 0.266 61.611 61.300 0.075 0.000 1.292 319 I CB 1.454 39.482 38.000 0.048 0.000 1.423 319 I HN 0.106 nan 8.210 nan 0.000 0.493 320 Q N 4.930 124.801 119.800 0.117 0.000 2.292 320 Q HA -0.008 4.316 4.340 -0.028 0.000 0.247 320 Q C 0.474 176.569 176.000 0.158 0.000 0.911 320 Q CA -0.029 55.862 55.803 0.146 0.000 0.948 320 Q CB -0.353 28.439 28.738 0.090 0.000 1.093 320 Q HN 0.658 nan 8.270 nan 0.000 0.428 321 N N -0.827 117.966 118.700 0.154 0.000 2.204 321 N HA -0.033 4.690 4.740 -0.028 0.000 0.219 321 N C -1.043 174.582 175.510 0.191 0.000 1.151 321 N CA -0.201 52.931 53.050 0.136 0.000 0.867 321 N CB 0.306 38.848 38.487 0.092 0.000 1.043 321 N HN 0.182 nan 8.380 nan 0.000 0.516 322 Y N 1.082 121.421 120.300 0.064 0.000 2.330 322 Y HA 0.522 5.055 4.550 -0.027 0.000 0.324 322 Y C -1.122 174.826 175.900 0.079 0.000 1.093 322 Y CA -0.836 57.298 58.100 0.057 0.000 1.103 322 Y CB 1.392 39.875 38.460 0.039 0.000 1.183 322 Y HN 0.163 nan 8.280 nan 0.000 0.433 323 S N 3.913 119.500 115.700 -0.188 0.000 2.599 323 S HA 0.933 5.386 4.470 -0.028 0.000 0.287 323 S C -1.823 172.673 174.600 -0.173 0.000 1.105 323 S CA -0.800 57.373 58.200 -0.045 0.000 0.899 323 S CB 2.099 65.309 63.200 0.016 0.000 1.100 323 S HN 0.432 nan 8.310 nan 0.000 0.482 324 V N 2.236 122.149 119.914 -0.001 0.000 2.686 324 V HA 0.499 4.602 4.120 -0.028 0.000 0.306 324 V C -0.667 175.457 176.094 0.050 0.000 1.065 324 V CA -0.628 61.672 62.300 0.000 0.000 0.894 324 V CB 1.915 33.772 31.823 0.056 0.000 1.004 324 V HN 1.028 nan 8.190 nan 0.000 0.424 325 M N 3.831 123.434 119.600 0.004 0.000 2.080 325 M HA 0.455 4.918 4.480 -0.028 0.000 0.350 325 M C -1.015 175.300 176.300 0.026 0.000 1.173 325 M CA -0.329 54.946 55.300 -0.042 0.000 1.052 325 M CB 0.714 33.218 32.600 -0.160 0.000 1.577 325 M HN 0.625 nan 8.290 nan 0.000 0.455 326 D N 4.977 125.389 120.400 0.020 0.000 2.210 326 D HA 0.473 5.096 4.640 -0.028 0.000 0.249 326 D C -0.953 175.321 176.300 -0.043 0.000 1.062 326 D CA 0.048 54.061 54.000 0.022 0.000 0.891 326 D CB 1.402 42.238 40.800 0.060 0.000 1.186 326 D HN 0.578 nan 8.370 nan 0.000 0.432 327 I N 2.504 123.076 120.570 0.002 0.000 2.411 327 I HA 0.224 4.377 4.170 -0.028 0.000 0.284 327 I C -0.667 175.452 176.117 0.002 0.000 1.012 327 I CA -0.465 60.824 61.300 -0.018 0.000 1.119 327 I CB 1.168 39.204 38.000 0.059 0.000 1.261 327 I HN 0.210 nan 8.210 nan 0.000 0.448 328 c N 4.256 122.844 118.600 -0.020 0.000 2.303 328 c HA 0.489 5.042 4.570 -0.028 0.000 0.326 328 c C -0.199 174.035 174.090 0.240 0.000 1.285 328 c CA -0.770 55.615 56.329 0.093 0.000 1.675 328 c CB 0.377 42.927 42.510 0.068 0.000 2.289 328 c HN 0.567 nan 8.230 nan 0.000 0.512 329 D N 0.763 121.275 120.400 0.188 0.000 2.163 329 D HA 0.274 4.898 4.640 -0.028 0.000 0.248 329 D C -0.462 175.764 176.300 -0.124 0.000 1.035 329 D CA -0.185 53.875 54.000 0.100 0.000 0.872 329 D CB 0.764 41.577 40.800 0.022 0.000 1.183 329 D HN 0.580 nan 8.370 nan 0.000 0.445 330 Y N 1.615 121.507 120.300 -0.679 0.000 2.442 330 Y HA 0.161 4.694 4.550 -0.028 0.000 0.330 330 Y C -0.079 175.509 175.900 -0.519 0.000 1.129 330 Y CA -0.057 57.320 58.100 -1.205 0.000 1.365 330 Y CB 0.643 38.312 38.460 -1.319 0.000 1.233 330 Y HN 0.160 nan 8.280 nan 0.000 0.529 331 D N 5.995 125.762 120.400 -1.054 0.000 2.373 331 D HA 0.091 4.714 4.640 -0.028 0.000 0.227 331 D C 0.700 176.458 176.300 -0.903 0.000 1.091 331 D CA -0.004 53.580 54.000 -0.694 0.000 0.840 331 D CB 0.905 41.459 40.800 -0.411 0.000 1.060 331 D HN 0.830 nan 8.370 nan 0.000 0.502 332 E N 1.522 121.411 120.200 -0.517 0.000 2.070 332 E HA -0.201 4.132 4.350 -0.028 0.000 0.197 332 E C 1.509 178.004 176.600 -0.175 0.000 1.004 332 E CA 1.532 57.783 56.400 -0.249 0.000 0.805 332 E CB 0.230 29.913 29.700 -0.029 0.000 0.744 332 E HN 0.557 nan 8.360 nan 0.000 0.451 333 S N -0.811 114.794 115.700 -0.158 0.000 2.496 333 S HA 0.065 4.519 4.470 -0.028 0.000 0.224 333 S C 1.925 176.466 174.600 -0.099 0.000 0.996 333 S CA 0.538 58.684 58.200 -0.091 0.000 0.927 333 S CB 0.441 63.602 63.200 -0.065 0.000 0.774 333 S HN -0.047 nan 8.310 nan 0.000 0.524 334 S N 0.282 115.882 115.700 -0.166 0.000 2.503 334 S HA 0.448 4.901 4.470 -0.028 0.000 0.215 334 S C 1.553 176.083 174.600 -0.117 0.000 1.003 334 S CA 0.349 58.473 58.200 -0.127 0.000 0.910 334 S CB 0.074 63.194 63.200 -0.134 0.000 0.790 334 S HN 0.995 nan 8.310 nan 0.000 0.514 335 G N 2.062 110.738 108.800 -0.206 0.000 2.168 335 G HA2 -0.269 3.674 3.960 -0.028 0.000 0.263 335 G HA3 -0.269 3.674 3.960 -0.028 0.000 0.263 335 G C 0.160 175.024 174.900 -0.060 0.000 0.977 335 G CA 0.229 45.289 45.100 -0.066 0.000 0.659 335 G HN 0.400 nan 8.290 nan 0.000 0.533 336 R N -1.553 118.819 120.500 -0.214 0.000 2.782 336 R HA 0.598 4.922 4.340 -0.028 0.000 0.258 336 R C -0.885 175.286 176.300 -0.214 0.000 1.055 336 R CA -0.736 55.321 56.100 -0.071 0.000 1.065 336 R CB 0.886 31.176 30.300 -0.017 0.000 1.172 336 R HN 0.146 nan 8.270 nan 0.000 0.510 337 W N 0.776 122.057 121.300 -0.033 0.000 2.417 337 W HA 0.382 5.025 4.660 -0.028 0.000 0.315 337 W C -0.240 176.249 176.519 -0.049 0.000 1.045 337 W CA -0.331 56.995 57.345 -0.031 0.000 1.221 337 W CB 1.032 30.486 29.460 -0.010 0.000 1.309 337 W HN 0.376 nan 8.180 nan 0.000 0.453 338 N N 2.468 121.234 118.700 0.110 0.000 2.372 338 N HA 0.541 5.264 4.740 -0.028 0.000 0.291 338 N C -1.470 174.077 175.510 0.061 0.000 1.024 338 N CA -0.754 52.329 53.050 0.055 0.000 0.873 338 N CB 1.323 39.803 38.487 -0.011 0.000 1.206 338 N HN 0.180 nan 8.380 nan 0.000 0.486 339 c N 2.961 121.583 118.600 0.037 0.000 2.264 339 c HA 0.337 4.891 4.570 -0.028 0.000 0.322 339 c C -0.035 174.058 174.090 0.004 0.000 1.210 339 c CA -1.017 55.326 56.329 0.023 0.000 1.539 339 c CB -1.037 41.479 42.510 0.009 0.000 2.167 339 c HN 0.565 nan 8.230 nan 0.000 0.463 340 L N 3.229 124.458 121.223 0.010 0.000 2.513 340 L HA 0.046 4.369 4.340 -0.028 0.000 0.272 340 L C 1.476 178.342 176.870 -0.007 0.000 1.187 340 L CA 0.339 55.179 54.840 -0.000 0.000 0.895 340 L CB 0.386 42.450 42.059 0.008 0.000 1.147 340 L HN 0.648 nan 8.230 nan 0.000 0.483 341 V N 4.324 124.226 119.914 -0.020 0.000 2.469 341 V HA -0.288 3.815 4.120 -0.028 0.000 0.251 341 V C 2.191 178.265 176.094 -0.033 0.000 1.064 341 V CA 1.854 64.136 62.300 -0.029 0.000 1.066 341 V CB -0.695 31.107 31.823 -0.035 0.000 0.667 341 V HN 0.997 nan 8.190 nan 0.000 0.461 342 A N -0.487 122.316 122.820 -0.028 0.000 2.172 342 A HA -0.120 4.184 4.320 -0.028 0.000 0.216 342 A C 2.152 179.709 177.584 -0.044 0.000 1.154 342 A CA 1.011 53.026 52.037 -0.037 0.000 0.701 342 A CB -0.344 18.642 19.000 -0.025 0.000 0.789 342 A HN 0.538 nan 8.150 nan 0.000 0.465 343 R N -0.360 120.134 120.500 -0.011 0.000 2.393 343 R HA 0.126 4.449 4.340 -0.028 0.000 0.244 343 R C -0.158 176.171 176.300 0.048 0.000 0.920 343 R CA -0.140 55.986 56.100 0.042 0.000 1.076 343 R CB 0.181 30.546 30.300 0.108 0.000 1.119 343 R HN 0.628 nan 8.270 nan 0.000 0.524 344 Q N 0.655 120.433 119.800 -0.037 0.000 2.364 344 Q HA 0.047 4.370 4.340 -0.028 0.000 0.267 344 Q C -0.837 175.066 176.000 -0.161 0.000 0.999 344 Q CA 0.639 56.433 55.803 -0.016 0.000 0.886 344 Q CB 0.667 29.389 28.738 -0.027 0.000 1.243 344 Q HN 0.167 nan 8.270 nan 0.000 0.415 345 H N 1.161 120.223 119.070 -0.014 0.000 2.727 345 H HA 0.387 4.926 4.556 -0.028 0.000 0.330 345 H C -0.899 174.389 175.328 -0.067 0.000 0.986 345 H CA -0.394 55.645 56.048 -0.015 0.000 1.251 345 H CB 0.801 30.545 29.762 -0.030 0.000 1.493 345 H HN 0.436 nan 8.280 nan 0.000 0.515 346 I N 2.236 122.803 120.570 -0.005 0.000 2.396 346 I HA 0.204 4.357 4.170 -0.028 0.000 0.292 346 I C 0.130 176.185 176.117 -0.103 0.000 0.999 346 I CA -0.074 61.142 61.300 -0.139 0.000 1.310 346 I CB 1.118 39.009 38.000 -0.180 0.000 1.404 346 I HN 0.561 nan 8.210 nan 0.000 0.496 347 E N 8.241 128.331 120.200 -0.183 0.000 2.244 347 E HA 0.570 4.903 4.350 -0.028 0.000 0.260 347 E C -1.224 175.279 176.600 -0.162 0.000 0.884 347 E CA -0.698 55.645 56.400 -0.096 0.000 0.777 347 E CB 1.323 31.002 29.700 -0.036 0.000 1.197 347 E HN 0.625 nan 8.360 nan 0.000 0.416 348 M N 1.250 120.792 119.600 -0.098 0.000 2.667 348 M HA 0.663 5.126 4.480 -0.028 0.000 0.286 348 M C -1.165 175.141 176.300 0.009 0.000 1.270 348 M CA -0.910 54.362 55.300 -0.047 0.000 0.826 348 M CB 2.324 34.922 32.600 -0.003 0.000 1.743 348 M HN 0.245 nan 8.290 nan 0.000 0.460 349 S N -0.624 115.092 115.700 0.028 0.000 2.541 349 S HA 0.574 5.028 4.470 -0.028 0.000 0.280 349 S C 0.200 174.804 174.600 0.006 0.000 1.112 349 S CA -0.007 58.196 58.200 0.004 0.000 0.925 349 S CB 1.850 65.025 63.200 -0.041 0.000 1.067 349 S HN 0.906 nan 8.310 nan 0.000 0.479 350 T N -0.234 114.322 114.554 0.004 0.000 3.044 350 T HA 0.081 4.415 4.350 -0.028 0.000 0.250 350 T C 1.388 176.078 174.700 -0.017 0.000 1.081 350 T CA 0.869 62.971 62.100 0.004 0.000 1.040 350 T CB -0.331 68.544 68.868 0.011 0.000 0.962 350 T HN 0.694 nan 8.240 nan 0.000 0.506 351 T N -2.247 112.289 114.554 -0.030 0.000 3.023 351 T HA 0.633 4.967 4.350 -0.028 0.000 0.253 351 T C 1.034 175.569 174.700 -0.275 0.000 1.038 351 T CA 0.272 62.348 62.100 -0.039 0.000 0.962 351 T CB 0.595 69.513 68.868 0.084 0.000 1.018 351 T HN 0.596 nan 8.240 nan 0.000 0.521 352 G N 0.512 109.009 108.800 -0.505 0.000 2.619 352 G HA2 0.468 4.411 3.960 -0.028 0.000 0.146 352 G HA3 0.468 4.411 3.960 -0.028 0.000 0.146 352 G C -1.597 173.081 174.900 -0.370 0.000 1.192 352 G CA -0.544 44.078 45.100 -0.796 0.000 1.063 352 G HN 0.469 nan 8.290 nan 0.000 0.538 353 W N -0.284 120.782 121.300 -0.391 0.000 2.225 353 W HA 0.767 5.408 4.660 -0.031 0.000 0.377 353 W C 0.024 176.511 176.519 -0.054 0.000 1.418 353 W CA -1.017 56.226 57.345 -0.169 0.000 1.562 353 W CB 0.749 30.094 29.460 -0.192 0.000 1.297 353 W HN 0.552 nan 8.180 nan 0.000 0.686 354 V N 2.314 122.332 119.914 0.172 0.000 2.435 354 V HA 0.847 4.950 4.120 -0.028 0.000 0.290 354 V C 0.250 176.441 176.094 0.162 0.000 1.030 354 V CA 0.271 62.620 62.300 0.082 0.000 0.881 354 V CB 0.399 32.265 31.823 0.072 0.000 0.983 354 V HN 1.804 nan 8.190 nan 0.000 0.445 355 G N 5.888 114.739 108.800 0.085 0.000 2.756 355 G HA2 -0.182 3.761 3.960 -0.028 0.000 0.678 355 G HA3 -0.182 3.761 3.960 -0.028 0.000 0.678 355 G C 0.139 175.149 174.900 0.184 0.000 1.349 355 G CA 0.221 45.400 45.100 0.132 0.000 0.847 355 G HN 0.958 nan 8.290 nan 0.000 0.548 356 R N -0.774 119.830 120.500 0.173 0.000 2.055 356 R HA 0.145 4.468 4.340 -0.028 0.000 0.228 356 R C 2.027 178.363 176.300 0.059 0.000 1.143 356 R CA 2.183 58.348 56.100 0.108 0.000 0.945 356 R CB -0.113 30.249 30.300 0.103 0.000 0.841 356 R HN 0.472 nan 8.270 nan 0.000 0.429 357 F N -0.853 119.258 119.950 0.268 0.000 2.789 357 F HA 0.270 4.779 4.527 -0.031 0.000 0.320 357 F C 0.504 176.374 175.800 0.117 0.000 1.079 357 F CA -0.451 57.660 58.000 0.184 0.000 1.205 357 F CB 0.759 39.861 39.000 0.170 0.000 1.046 357 F HN -0.084 nan 8.300 nan 0.000 0.586 358 R N -0.787 119.891 120.500 0.297 0.000 2.728 358 R HA 0.382 4.705 4.340 -0.028 0.000 0.274 358 R C -3.425 172.974 176.300 0.164 0.000 1.032 358 R CA -1.773 54.441 56.100 0.190 0.000 0.866 358 R CB 0.388 30.780 30.300 0.154 0.000 1.263 358 R HN -0.341 nan 8.270 nan 0.000 0.475 359 P HA 0.025 nan 4.420 nan 0.000 0.265 359 P C -0.379 176.960 177.300 0.065 0.000 1.187 359 P CA 0.152 63.296 63.100 0.072 0.000 0.766 359 P CB 0.737 32.454 31.700 0.027 0.000 0.820 360 S N 1.545 117.285 115.700 0.067 0.000 2.593 360 S HA 0.090 4.543 4.470 -0.028 0.000 0.269 360 S C 0.245 174.856 174.600 0.019 0.000 1.334 360 S CA -0.566 57.682 58.200 0.080 0.000 1.015 360 S CB 0.072 63.339 63.200 0.112 0.000 0.912 360 S HN 0.480 nan 8.310 nan 0.000 0.541 361 E N 3.305 123.530 120.200 0.042 0.000 2.331 361 E HA 0.309 4.642 4.350 -0.028 0.000 0.272 361 E C -2.783 173.796 176.600 -0.035 0.000 1.036 361 E CA -1.977 54.396 56.400 -0.046 0.000 0.864 361 E CB 0.460 30.134 29.700 -0.043 0.000 1.035 361 E HN 0.212 nan 8.360 nan 0.000 0.408 362 P HA 0.237 nan 4.420 nan 0.000 0.279 362 P C -0.728 176.435 177.300 -0.229 0.000 1.252 362 P CA -0.304 62.638 63.100 -0.264 0.000 0.811 362 P CB 0.767 31.922 31.700 -0.908 0.000 1.035 363 H N 1.307 120.357 119.070 -0.033 0.000 2.860 363 H HA 0.297 4.837 4.556 -0.027 0.000 0.312 363 H C -0.415 175.016 175.328 0.172 0.000 0.995 363 H CA -0.331 55.792 56.048 0.124 0.000 1.311 363 H CB 0.385 30.261 29.762 0.191 0.000 1.478 363 H HN 0.308 nan 8.280 nan 0.000 0.508 364 F N 1.972 122.099 119.950 0.295 0.000 2.399 364 F HA 0.063 4.574 4.527 -0.027 0.000 0.342 364 F C 1.543 177.529 175.800 0.310 0.000 1.106 364 F CA -0.441 57.740 58.000 0.301 0.000 1.196 364 F CB 1.048 40.154 39.000 0.178 0.000 1.163 364 F HN 0.379 nan 8.300 nan 0.000 0.547 365 T N 1.006 115.867 114.554 0.511 0.000 2.813 365 T HA 0.061 4.394 4.350 -0.028 0.000 0.297 365 T C 1.133 176.023 174.700 0.317 0.000 1.036 365 T CA -0.866 61.468 62.100 0.389 0.000 1.044 365 T CB 0.768 69.848 68.868 0.355 0.000 0.993 365 T HN 0.554 nan 8.240 nan 0.000 0.535 366 L N 1.540 122.903 121.223 0.233 0.000 2.051 366 L HA -0.140 4.183 4.340 -0.028 0.000 0.214 366 L C 2.063 179.033 176.870 0.166 0.000 1.076 366 L CA 2.482 57.431 54.840 0.181 0.000 0.758 366 L CB -1.549 40.592 42.059 0.137 0.000 0.890 366 L HN 0.962 nan 8.230 nan 0.000 0.433 367 D N -1.393 119.107 120.400 0.166 0.000 2.348 367 D HA 0.036 4.659 4.640 -0.028 0.000 0.216 367 D C 1.671 178.061 176.300 0.150 0.000 0.970 367 D CA 0.893 54.977 54.000 0.141 0.000 0.889 367 D CB -0.634 40.240 40.800 0.125 0.000 0.912 367 D HN 0.498 nan 8.370 nan 0.000 0.524 368 G N 0.397 109.323 108.800 0.211 0.000 2.155 368 G HA2 -0.339 3.605 3.960 -0.028 0.000 0.257 368 G HA3 -0.339 3.605 3.960 -0.028 0.000 0.257 368 G C 0.840 175.897 174.900 0.261 0.000 0.983 368 G CA 0.386 45.609 45.100 0.206 0.000 0.676 368 G HN 0.388 nan 8.290 nan 0.000 0.528 369 N N -0.056 118.790 118.700 0.244 0.000 2.280 369 N HA 0.267 4.990 4.740 -0.028 0.000 0.192 369 N C 0.405 176.036 175.510 0.202 0.000 1.109 369 N CA 0.993 54.163 53.050 0.199 0.000 0.855 369 N CB 0.765 39.329 38.487 0.128 0.000 0.974 369 N HN 0.399 nan 8.380 nan 0.000 0.482 370 S N -0.359 115.512 115.700 0.285 0.000 2.570 370 S HA 0.705 5.158 4.470 -0.028 0.000 0.270 370 S C -1.832 172.894 174.600 0.209 0.000 1.149 370 S CA -0.747 57.510 58.200 0.095 0.000 0.837 370 S CB 0.912 64.141 63.200 0.048 0.000 1.124 370 S HN 0.150 nan 8.310 nan 0.000 0.465 371 F N 0.250 120.064 119.950 -0.228 0.000 2.713 371 F HA 0.760 5.269 4.527 -0.029 0.000 0.311 371 F C -2.289 173.342 175.800 -0.282 0.000 1.141 371 F CA -1.235 56.566 58.000 -0.331 0.000 0.939 371 F CB 0.662 39.075 39.000 -0.978 0.000 1.325 371 F HN 0.488 nan 8.300 nan 0.000 0.453 372 Y N 1.304 121.765 120.300 0.269 0.000 2.393 372 Y HA 0.684 5.218 4.550 -0.027 0.000 0.341 372 Y C -0.510 175.558 175.900 0.281 0.000 0.988 372 Y CA -0.817 57.426 58.100 0.239 0.000 1.078 372 Y CB 2.206 40.753 38.460 0.146 0.000 1.203 372 Y HN 0.734 nan 8.280 nan 0.000 0.453 373 K N 1.131 121.770 120.400 0.399 0.000 2.551 373 K HA 0.644 4.947 4.320 -0.028 0.000 0.269 373 K C -1.875 174.871 176.600 0.244 0.000 0.949 373 K CA -0.729 55.735 56.287 0.295 0.000 0.849 373 K CB 1.594 34.208 32.500 0.191 0.000 1.411 373 K HN 0.580 nan 8.250 nan 0.000 0.432 374 I N 3.684 124.366 120.570 0.187 0.000 2.396 374 I HA 0.337 4.490 4.170 -0.028 0.000 0.289 374 I C 0.053 176.270 176.117 0.166 0.000 1.056 374 I CA -0.539 60.856 61.300 0.158 0.000 1.365 374 I CB 0.244 38.315 38.000 0.117 0.000 1.407 374 I HN 0.634 nan 8.210 nan 0.000 0.509 375 I N 1.750 122.451 120.570 0.217 0.000 2.969 375 I HA 0.527 4.680 4.170 -0.028 0.000 0.307 375 I C -0.327 175.921 176.117 0.218 0.000 1.149 375 I CA -0.871 60.551 61.300 0.204 0.000 1.008 375 I CB 2.209 40.348 38.000 0.232 0.000 1.232 375 I HN 0.334 nan 8.210 nan 0.000 0.435 376 S N 3.264 119.026 115.700 0.103 0.000 2.510 376 S HA 0.171 4.624 4.470 -0.028 0.000 0.279 376 S C 0.049 174.686 174.600 0.061 0.000 1.284 376 S CA -0.749 57.454 58.200 0.005 0.000 1.059 376 S CB -0.076 63.061 63.200 -0.104 0.000 0.901 376 S HN 0.793 nan 8.310 nan 0.000 0.491 377 N N 2.188 120.804 118.700 -0.139 0.000 2.332 377 N HA -0.007 4.717 4.740 -0.028 0.000 0.282 377 N C 1.128 176.534 175.510 -0.174 0.000 1.288 377 N CA -0.421 52.391 53.050 -0.397 0.000 0.949 377 N CB 0.077 37.941 38.487 -1.037 0.000 1.108 377 N HN 0.634 nan 8.380 nan 0.000 0.542 378 E N -0.596 119.492 120.200 -0.186 0.000 2.274 378 E HA -0.213 4.121 4.350 -0.028 0.000 0.194 378 E C 0.304 176.847 176.600 -0.095 0.000 0.996 378 E CA 1.182 57.527 56.400 -0.093 0.000 0.840 378 E CB -0.523 29.137 29.700 -0.067 0.000 0.772 378 E HN 0.885 nan 8.360 nan 0.000 0.491 379 E N 0.010 120.148 120.200 -0.104 0.000 2.463 379 E HA 0.313 4.646 4.350 -0.028 0.000 0.193 379 E C 0.978 177.505 176.600 -0.121 0.000 1.041 379 E CA 0.289 56.662 56.400 -0.045 0.000 0.879 379 E CB 0.243 29.975 29.700 0.052 0.000 0.997 379 E HN 0.284 nan 8.360 nan 0.000 0.478 380 G N 0.606 109.293 108.800 -0.188 0.000 2.143 380 G HA2 -0.309 3.634 3.960 -0.028 0.000 0.249 380 G HA3 -0.309 3.634 3.960 -0.028 0.000 0.249 380 G C -0.464 174.154 174.900 -0.470 0.000 0.981 380 G CA -0.041 44.858 45.100 -0.335 0.000 0.665 380 G HN 0.327 nan 8.290 nan 0.000 0.528 381 Y N 0.334 120.502 120.300 -0.220 0.000 2.320 381 Y HA 0.589 5.119 4.550 -0.032 0.000 0.334 381 Y C 1.258 177.010 175.900 -0.248 0.000 1.055 381 Y CA -0.826 57.134 58.100 -0.234 0.000 1.143 381 Y CB 0.944 39.273 38.460 -0.218 0.000 1.193 381 Y HN 0.075 nan 8.280 nan 0.000 0.477 382 R N 3.921 124.316 120.500 -0.174 0.000 2.351 382 R HA 0.193 4.516 4.340 -0.028 0.000 0.318 382 R C -0.768 175.298 176.300 -0.391 0.000 1.055 382 R CA 0.156 56.152 56.100 -0.174 0.000 0.968 382 R CB -0.027 30.209 30.300 -0.107 0.000 0.974 382 R HN 0.654 nan 8.270 nan 0.000 0.439 383 H N 1.886 120.930 119.070 -0.042 0.000 2.946 383 H HA 0.319 4.858 4.556 -0.029 0.000 0.365 383 H C -0.143 175.263 175.328 0.129 0.000 1.197 383 H CA -0.920 55.084 56.048 -0.073 0.000 1.131 383 H CB 1.647 31.248 29.762 -0.268 0.000 1.849 383 H HN 0.329 nan 8.280 nan 0.000 0.555 384 I N 1.348 122.014 120.570 0.160 0.000 2.471 384 I HA 0.032 4.186 4.170 -0.028 0.000 0.286 384 I C 0.415 176.589 176.117 0.095 0.000 1.079 384 I CA 0.204 61.566 61.300 0.103 0.000 1.398 384 I CB 0.350 38.327 38.000 -0.037 0.000 1.403 384 I HN 0.156 nan 8.210 nan 0.000 0.530 385 c N 6.791 125.380 118.600 -0.018 0.000 2.456 385 c HA 0.405 4.958 4.570 -0.028 0.000 0.325 385 c C -0.465 173.480 174.090 -0.240 0.000 1.217 385 c CA -0.641 55.439 56.329 -0.414 0.000 1.687 385 c CB 1.059 43.040 42.510 -0.881 0.000 2.270 385 c HN 0.723 nan 8.230 nan 0.000 0.499 386 Y N 4.304 124.244 120.300 -0.601 0.000 2.342 386 Y HA 0.610 5.143 4.550 -0.028 0.000 0.338 386 Y C -0.937 174.486 175.900 -0.795 0.000 0.965 386 Y CA -0.630 57.075 58.100 -0.657 0.000 1.159 386 Y CB 0.370 38.532 38.460 -0.497 0.000 1.157 386 Y HN 0.666 nan 8.280 nan 0.000 0.486 387 F N 4.005 123.251 119.950 -1.173 0.000 2.458 387 F HA 0.391 4.900 4.527 -0.029 0.000 0.330 387 F C 0.040 175.113 175.800 -1.213 0.000 1.082 387 F CA -0.758 56.505 58.000 -1.227 0.000 0.995 387 F CB 1.478 39.388 39.000 -1.817 0.000 1.170 387 F HN 0.341 nan 8.300 nan 0.000 0.478 388 Q N 2.793 122.250 119.800 -0.572 0.000 2.307 388 Q HA 0.272 4.595 4.340 -0.028 0.000 0.262 388 Q C 0.985 176.944 176.000 -0.068 0.000 0.961 388 Q CA -0.484 55.106 55.803 -0.355 0.000 0.882 388 Q CB 1.845 30.420 28.738 -0.271 0.000 1.264 388 Q HN 0.684 nan 8.270 nan 0.000 0.446 389 I N 2.356 122.958 120.570 0.054 0.000 2.229 389 I HA -0.321 3.832 4.170 -0.028 0.000 0.250 389 I C 1.127 177.422 176.117 0.297 0.000 1.096 389 I CA 1.788 63.245 61.300 0.263 0.000 1.358 389 I CB -0.259 37.894 38.000 0.255 0.000 1.047 389 I HN 0.635 nan 8.210 nan 0.000 0.422 390 D N 0.433 120.918 120.400 0.141 0.000 2.349 390 D HA 0.011 4.634 4.640 -0.028 0.000 0.215 390 D C 0.722 177.040 176.300 0.031 0.000 1.016 390 D CA 0.334 54.381 54.000 0.079 0.000 0.870 390 D CB 0.318 41.141 40.800 0.038 0.000 0.917 390 D HN 0.505 nan 8.370 nan 0.000 0.524 391 K N -0.622 119.804 120.400 0.045 0.000 2.318 391 K HA 0.421 4.724 4.320 -0.028 0.000 0.249 391 K C 0.624 177.219 176.600 -0.008 0.000 0.942 391 K CA -0.882 55.396 56.287 -0.015 0.000 0.808 391 K CB 2.581 35.050 32.500 -0.053 0.000 1.189 391 K HN -0.421 nan 8.250 nan 0.000 0.428 392 K N 1.083 121.443 120.400 -0.068 0.000 2.057 392 K HA -0.019 4.284 4.320 -0.028 0.000 0.206 392 K C -0.411 176.171 176.600 -0.031 0.000 1.050 392 K CA 1.497 57.743 56.287 -0.067 0.000 0.935 392 K CB -0.075 32.381 32.500 -0.074 0.000 0.715 392 K HN 0.783 nan 8.250 nan 0.000 0.439 393 D N 0.575 120.920 120.400 -0.091 0.000 2.264 393 D HA 0.090 4.713 4.640 -0.028 0.000 0.250 393 D C -0.113 175.996 176.300 -0.318 0.000 1.113 393 D CA -0.189 53.713 54.000 -0.164 0.000 0.871 393 D CB 0.898 41.621 40.800 -0.129 0.000 1.167 393 D HN 0.406 nan 8.370 nan 0.000 0.447 394 c N 0.629 118.899 118.600 -0.550 0.000 2.401 394 c HA 0.868 5.421 4.570 -0.028 0.000 0.356 394 c C 0.385 174.084 174.090 -0.651 0.000 1.192 394 c CA -0.762 55.025 56.329 -0.904 0.000 2.028 394 c CB 1.297 42.626 42.510 -1.969 0.000 2.344 394 c HN 0.603 nan 8.230 nan 0.000 0.525 395 T N 0.384 114.604 114.554 -0.558 0.000 2.807 395 T HA 0.605 4.938 4.350 -0.028 0.000 0.279 395 T C -0.989 173.490 174.700 -0.368 0.000 0.993 395 T CA -0.268 61.633 62.100 -0.330 0.000 0.970 395 T CB 0.366 69.176 68.868 -0.098 0.000 0.950 395 T HN 0.527 nan 8.240 nan 0.000 0.441 396 F N 4.810 124.638 119.950 -0.204 0.000 2.467 396 F HA 0.323 4.834 4.527 -0.027 0.000 0.362 396 F C 1.585 177.218 175.800 -0.278 0.000 1.090 396 F CA -0.919 56.949 58.000 -0.220 0.000 1.202 396 F CB 0.744 39.619 39.000 -0.208 0.000 1.113 396 F HN 0.648 nan 8.300 nan 0.000 0.541 397 I N -0.702 119.753 120.570 -0.191 0.000 3.941 397 I HA 0.191 4.345 4.170 -0.028 0.000 0.321 397 I C 0.367 176.344 176.117 -0.233 0.000 1.284 397 I CA 0.161 61.174 61.300 -0.478 0.000 1.226 397 I CB -0.005 37.403 38.000 -0.987 0.000 1.045 397 I HN 0.489 nan 8.210 nan 0.000 0.420 398 T N -0.907 113.548 114.554 -0.164 0.000 2.930 398 T HA 0.652 4.985 4.350 -0.028 0.000 0.290 398 T C -0.488 173.813 174.700 -0.665 0.000 1.052 398 T CA -0.728 61.243 62.100 -0.216 0.000 1.017 398 T CB 2.943 71.771 68.868 -0.067 0.000 1.137 398 T HN 0.097 nan 8.240 nan 0.000 0.511 399 K N -0.518 119.258 120.400 -1.041 0.000 2.607 399 K HA 0.673 4.976 4.320 -0.028 0.000 0.287 399 K C -0.587 175.323 176.600 -1.150 0.000 0.996 399 K CA -0.231 55.219 56.287 -1.395 0.000 0.876 399 K CB 1.954 34.072 32.500 -0.636 0.000 1.496 399 K HN 1.471 nan 8.250 nan 0.000 0.415 400 G N -0.210 108.008 108.800 -0.971 0.000 2.340 400 G HA2 -0.068 3.875 3.960 -0.028 0.000 0.527 400 G HA3 -0.068 3.875 3.960 -0.028 0.000 0.527 400 G C -0.641 173.699 174.900 -0.933 0.000 1.381 400 G CA -0.300 44.376 45.100 -0.707 0.000 1.001 400 G HN 0.490 nan 8.290 nan 0.000 0.626 401 T N -0.264 113.859 114.554 -0.718 0.000 4.309 401 T HA 0.544 4.877 4.350 -0.028 0.000 0.242 401 T C 0.278 174.689 174.700 -0.481 0.000 1.142 401 T CA 0.566 61.975 62.100 -1.150 0.000 1.042 401 T CB -0.948 67.560 68.868 -0.599 0.000 1.366 401 T HN 1.471 nan 8.240 nan 0.000 0.942 402 W N -0.461 120.615 121.300 -0.374 0.000 2.937 402 W HA 0.640 5.288 4.660 -0.018 0.000 0.360 402 W C -1.427 175.041 176.519 -0.085 0.000 1.215 402 W CA -0.974 56.313 57.345 -0.097 0.000 1.183 402 W CB 0.701 30.110 29.460 -0.085 0.000 1.458 402 W HN 0.144 nan 8.180 nan 0.000 0.574 403 E N 0.806 121.160 120.200 0.257 0.000 2.288 403 E HA 0.441 4.774 4.350 -0.028 0.000 0.268 403 E C -1.140 175.534 176.600 0.123 0.000 0.885 403 E CA -1.160 55.210 56.400 -0.049 0.000 0.767 403 E CB 3.448 33.178 29.700 0.050 0.000 1.220 403 E HN 0.160 nan 8.360 nan 0.000 0.427 404 V N 4.164 124.016 119.914 -0.103 0.000 2.488 404 V HA 0.007 4.110 4.120 -0.028 0.000 0.277 404 V C 1.274 177.446 176.094 0.129 0.000 1.046 404 V CA 0.001 62.347 62.300 0.077 0.000 0.986 404 V CB 0.548 32.320 31.823 -0.085 0.000 0.989 404 V HN 0.688 nan 8.190 nan 0.000 0.475 405 I N 3.323 124.007 120.570 0.190 0.000 2.339 405 I HA 0.221 4.374 4.170 -0.028 0.000 0.245 405 I C 1.131 177.365 176.117 0.194 0.000 1.096 405 I CA 1.250 62.663 61.300 0.189 0.000 1.408 405 I CB -0.807 37.251 38.000 0.097 0.000 1.092 405 I HN 0.738 nan 8.210 nan 0.000 0.423 406 G N 0.583 109.496 108.800 0.190 0.000 2.632 406 G HA2 0.565 4.508 3.960 -0.028 0.000 0.292 406 G HA3 0.565 4.508 3.960 -0.028 0.000 0.292 406 G C -1.343 173.655 174.900 0.164 0.000 1.465 406 G CA -0.535 44.672 45.100 0.179 0.000 0.824 406 G HN -0.033 nan 8.290 nan 0.000 0.509 407 I N 1.514 122.123 120.570 0.064 0.000 2.325 407 I HA 0.271 4.424 4.170 -0.028 0.000 0.291 407 I C 0.719 176.792 176.117 -0.073 0.000 1.019 407 I CA -0.560 60.686 61.300 -0.089 0.000 1.302 407 I CB 1.811 39.530 38.000 -0.468 0.000 1.401 407 I HN 0.499 nan 8.210 nan 0.000 0.485 408 E N 4.932 125.174 120.200 0.070 0.000 2.290 408 E HA 0.339 4.672 4.350 -0.028 0.000 0.197 408 E C 0.177 176.844 176.600 0.111 0.000 0.948 408 E CA 0.218 56.731 56.400 0.187 0.000 0.895 408 E CB 0.831 30.730 29.700 0.332 0.000 0.865 408 E HN 0.679 nan 8.360 nan 0.000 0.486 409 A N 0.748 123.542 122.820 -0.045 0.000 2.608 409 A HA 0.653 4.956 4.320 -0.028 0.000 0.292 409 A C -1.695 175.855 177.584 -0.057 0.000 1.066 409 A CA -0.816 51.126 52.037 -0.158 0.000 0.676 409 A CB 1.017 19.563 19.000 -0.757 0.000 1.277 409 A HN 0.126 nan 8.150 nan 0.000 0.413 410 L N -0.191 121.026 121.223 -0.010 0.000 2.464 410 L HA 0.948 5.271 4.340 -0.028 0.000 0.266 410 L C -0.343 176.551 176.870 0.040 0.000 0.965 410 L CA -0.226 54.614 54.840 0.000 0.000 0.833 410 L CB 2.197 44.249 42.059 -0.013 0.000 1.296 410 L HN 1.044 nan 8.230 nan 0.000 0.405 411 T N -1.232 113.349 114.554 0.046 0.000 2.804 411 T HA 0.328 4.661 4.350 -0.028 0.000 0.272 411 T C 1.128 175.853 174.700 0.042 0.000 0.986 411 T CA -0.006 62.132 62.100 0.063 0.000 0.999 411 T CB 1.289 70.221 68.868 0.106 0.000 1.307 411 T HN 0.810 nan 8.240 nan 0.000 0.586 412 S N -0.504 115.220 115.700 0.040 0.000 2.447 412 S HA -0.091 4.362 4.470 -0.028 0.000 0.233 412 S C 0.849 175.417 174.600 -0.052 0.000 1.006 412 S CA 1.174 59.386 58.200 0.020 0.000 0.957 412 S CB -0.637 62.578 63.200 0.025 0.000 0.773 412 S HN 0.666 nan 8.310 nan 0.000 0.507 413 D N -0.956 119.385 120.400 -0.098 0.000 2.422 413 D HA 0.272 4.895 4.640 -0.028 0.000 0.218 413 D C -0.445 175.486 176.300 -0.615 0.000 1.047 413 D CA 0.527 54.329 54.000 -0.330 0.000 0.885 413 D CB 0.359 40.964 40.800 -0.326 0.000 1.035 413 D HN 0.454 nan 8.370 nan 0.000 0.502 414 Y N -0.160 120.053 120.300 -0.145 0.000 2.581 414 Y HA 0.420 4.954 4.550 -0.027 0.000 0.345 414 Y C -0.660 175.025 175.900 -0.359 0.000 1.036 414 Y CA -1.254 56.668 58.100 -0.297 0.000 1.042 414 Y CB 2.276 40.433 38.460 -0.504 0.000 1.289 414 Y HN -0.273 nan 8.280 nan 0.000 0.471 415 L N 2.744 123.826 121.223 -0.236 0.000 2.349 415 L HA 0.532 4.855 4.340 -0.028 0.000 0.278 415 L C -1.989 174.730 176.870 -0.252 0.000 0.996 415 L CA -1.012 53.678 54.840 -0.250 0.000 0.825 415 L CB 0.415 42.277 42.059 -0.328 0.000 1.243 415 L HN 0.646 nan 8.230 nan 0.000 0.412 416 Y N 5.963 126.215 120.300 -0.081 0.000 2.342 416 Y HA 0.573 5.104 4.550 -0.031 0.000 0.334 416 Y C -0.204 175.735 175.900 0.066 0.000 1.067 416 Y CA -0.219 57.843 58.100 -0.063 0.000 1.128 416 Y CB 1.412 39.786 38.460 -0.143 0.000 1.200 416 Y HN 0.598 nan 8.280 nan 0.000 0.464 417 Y N 0.132 120.522 120.300 0.150 0.000 2.597 417 Y HA 0.790 5.320 4.550 -0.033 0.000 0.340 417 Y C -1.751 174.251 175.900 0.169 0.000 1.097 417 Y CA -1.986 56.186 58.100 0.121 0.000 1.037 417 Y CB 1.078 39.581 38.460 0.072 0.000 1.305 417 Y HN 0.430 nan 8.280 nan 0.000 0.463 418 I N 3.118 123.874 120.570 0.310 0.000 2.412 418 I HA 0.649 4.802 4.170 -0.028 0.000 0.296 418 I C -0.320 175.999 176.117 0.336 0.000 0.987 418 I CA -0.463 60.969 61.300 0.219 0.000 1.180 418 I CB 1.993 40.056 38.000 0.105 0.000 1.340 418 I HN 0.896 nan 8.210 nan 0.000 0.455 419 S N 3.046 118.927 115.700 0.301 0.000 2.671 419 S HA 0.413 4.866 4.470 -0.028 0.000 0.277 419 S C -0.545 174.133 174.600 0.130 0.000 1.165 419 S CA -0.885 57.473 58.200 0.264 0.000 0.822 419 S CB 1.675 65.066 63.200 0.318 0.000 1.150 419 S HN 0.640 nan 8.310 nan 0.000 0.479 420 N N -0.428 118.339 118.700 0.111 0.000 2.321 420 N HA 0.146 4.869 4.740 -0.028 0.000 0.242 420 N C 0.582 176.069 175.510 -0.038 0.000 1.141 420 N CA -0.250 52.812 53.050 0.020 0.000 0.864 420 N CB 0.242 38.720 38.487 -0.015 0.000 1.100 420 N HN 0.818 nan 8.380 nan 0.000 0.510 421 E N 0.188 120.228 120.200 -0.266 0.000 2.077 421 E HA -0.214 4.119 4.350 -0.028 0.000 0.193 421 E C -0.363 176.058 176.600 -0.298 0.000 0.989 421 E CA 0.288 56.250 56.400 -0.730 0.000 0.800 421 E CB -0.140 28.509 29.700 -1.751 0.000 0.746 421 E HN 0.539 nan 8.360 nan 0.000 0.452 422 Y N 2.138 122.333 120.300 -0.174 0.000 2.846 422 Y HA -0.180 4.341 4.550 -0.049 0.000 0.352 422 Y C 0.121 175.969 175.900 -0.086 0.000 1.298 422 Y CA 0.804 58.849 58.100 -0.092 0.000 1.634 422 Y CB 0.020 38.454 38.460 -0.043 0.000 1.214 422 Y HN 0.075 nan 8.280 nan 0.000 0.529 423 K N 3.617 123.707 120.400 -0.517 0.000 3.088 423 K HA -0.248 4.055 4.320 -0.028 0.000 0.273 423 K C 0.834 177.340 176.600 -0.156 0.000 1.111 423 K CA 0.665 56.719 56.287 -0.388 0.000 0.803 423 K CB -1.972 30.239 32.500 -0.482 0.000 1.226 423 K HN 1.224 nan 8.250 nan 0.000 0.485 424 G N 0.649 109.373 108.800 -0.126 0.000 2.233 424 G HA2 -0.338 3.606 3.960 -0.028 0.000 0.270 424 G HA3 -0.338 3.606 3.960 -0.028 0.000 0.270 424 G C 0.082 174.935 174.900 -0.079 0.000 1.011 424 G CA 0.959 46.033 45.100 -0.044 0.000 0.762 424 G HN 0.376 nan 8.290 nan 0.000 0.511 425 M N -0.005 119.476 119.600 -0.198 0.000 2.069 425 M HA 0.259 4.722 4.480 -0.028 0.000 0.349 425 M C -1.342 174.671 176.300 -0.477 0.000 1.194 425 M CA -1.986 53.010 55.300 -0.506 0.000 1.081 425 M CB 1.671 34.077 32.600 -0.323 0.000 1.500 425 M HN -0.152 nan 8.290 nan 0.000 0.438 426 P HA -0.065 nan 4.420 nan 0.000 0.222 426 P C 1.147 178.291 177.300 -0.259 0.000 1.147 426 P CA 0.922 63.813 63.100 -0.349 0.000 0.790 426 P CB 0.240 31.718 31.700 -0.371 0.000 0.780 427 G N -1.151 107.449 108.800 -0.333 0.000 3.189 427 G HA2 0.270 4.213 3.960 -0.028 0.000 0.225 427 G HA3 0.270 4.213 3.960 -0.028 0.000 0.225 427 G C 0.633 175.527 174.900 -0.010 0.000 1.159 427 G CA 0.030 45.064 45.100 -0.109 0.000 0.763 427 G HN 0.357 nan 8.290 nan 0.000 0.549 428 G N -0.120 108.617 108.800 -0.106 0.000 2.434 428 G HA2 0.627 4.570 3.960 -0.028 0.000 0.330 428 G HA3 0.627 4.570 3.960 -0.028 0.000 0.330 428 G C -0.752 174.017 174.900 -0.220 0.000 1.155 428 G CA -0.716 44.345 45.100 -0.064 0.000 0.917 428 G HN 0.078 nan 8.290 nan 0.000 0.493 429 R N 0.569 120.894 120.500 -0.291 0.000 2.538 429 R HA 0.360 4.683 4.340 -0.028 0.000 0.292 429 R C -1.294 174.954 176.300 -0.086 0.000 1.008 429 R CA -0.767 55.143 56.100 -0.317 0.000 0.896 429 R CB 2.048 31.915 30.300 -0.721 0.000 1.187 429 R HN 0.695 nan 8.270 nan 0.000 0.440 430 N N 0.709 119.385 118.700 -0.041 0.000 2.242 430 N HA 0.377 5.100 4.740 -0.028 0.000 0.292 430 N C -1.445 173.908 175.510 -0.262 0.000 1.125 430 N CA -0.797 52.143 53.050 -0.184 0.000 0.783 430 N CB 2.143 40.411 38.487 -0.365 0.000 1.558 430 N HN 0.238 nan 8.380 nan 0.000 0.472 431 L N 2.463 123.390 121.223 -0.493 0.000 2.290 431 L HA 0.481 4.804 4.340 -0.028 0.000 0.284 431 L C -1.564 174.913 176.870 -0.655 0.000 1.078 431 L CA 0.084 54.667 54.840 -0.429 0.000 0.815 431 L CB -0.285 41.511 42.059 -0.439 0.000 1.162 431 L HN 0.513 nan 8.230 nan 0.000 0.435 432 Y N 3.799 123.759 120.300 -0.567 0.000 2.598 432 Y HA 0.589 5.113 4.550 -0.044 0.000 0.340 432 Y C -0.341 175.227 175.900 -0.554 0.000 1.038 432 Y CA -0.857 56.847 58.100 -0.659 0.000 1.100 432 Y CB 1.690 39.526 38.460 -1.041 0.000 1.281 432 Y HN 0.524 nan 8.280 nan 0.000 0.488 433 K N 2.380 122.630 120.400 -0.250 0.000 2.471 433 K HA 0.644 4.947 4.320 -0.028 0.000 0.252 433 K C -2.031 174.499 176.600 -0.116 0.000 0.938 433 K CA -0.638 55.427 56.287 -0.371 0.000 0.796 433 K CB 2.283 34.381 32.500 -0.670 0.000 1.161 433 K HN 0.801 nan 8.250 nan 0.000 0.425 434 I N 2.399 122.976 120.570 0.012 0.000 2.404 434 I HA 0.162 4.315 4.170 -0.028 0.000 0.293 434 I C -0.459 175.775 176.117 0.195 0.000 0.992 434 I CA -0.609 60.789 61.300 0.164 0.000 1.149 434 I CB 1.795 39.935 38.000 0.232 0.000 1.315 434 I HN 0.831 nan 8.210 nan 0.000 0.446 435 Q N 5.801 125.727 119.800 0.209 0.000 2.286 435 Q HA 0.089 4.412 4.340 -0.028 0.000 0.265 435 Q C 0.163 176.111 176.000 -0.086 0.000 1.080 435 Q CA -0.473 55.324 55.803 -0.011 0.000 0.906 435 Q CB 1.007 29.762 28.738 0.029 0.000 1.227 435 Q HN 0.777 nan 8.270 nan 0.000 0.409 436 L N 3.074 124.175 121.223 -0.204 0.000 2.265 436 L HA -0.145 4.178 4.340 -0.028 0.000 0.215 436 L C 1.995 178.708 176.870 -0.262 0.000 1.117 436 L CA 1.587 56.359 54.840 -0.114 0.000 0.782 436 L CB -0.707 41.273 42.059 -0.132 0.000 0.914 436 L HN 0.702 nan 8.230 nan 0.000 0.441 437 S N -2.505 113.029 115.700 -0.277 0.000 2.558 437 S HA 0.078 4.531 4.470 -0.028 0.000 0.217 437 S C 0.463 174.874 174.600 -0.315 0.000 0.975 437 S CA -0.044 57.991 58.200 -0.275 0.000 0.912 437 S CB 0.191 63.273 63.200 -0.196 0.000 0.776 437 S HN 0.388 nan 8.310 nan 0.000 0.526 438 D N -0.202 120.008 120.400 -0.316 0.000 2.312 438 D HA 0.181 4.804 4.640 -0.028 0.000 0.229 438 D C -0.459 175.771 176.300 -0.116 0.000 1.337 438 D CA -0.536 53.313 54.000 -0.251 0.000 0.964 438 D CB 0.066 40.792 40.800 -0.123 0.000 1.456 438 D HN -0.063 nan 8.370 nan 0.000 0.547 439 Y N 1.175 121.461 120.300 -0.024 0.000 2.483 439 Y HA -0.070 4.463 4.550 -0.028 0.000 0.291 439 Y C 2.306 178.218 175.900 0.020 0.000 1.143 439 Y CA 1.094 59.191 58.100 -0.005 0.000 1.289 439 Y CB -0.580 37.875 38.460 -0.009 0.000 0.983 439 Y HN 0.324 nan 8.280 nan 0.000 0.556 440 T N -1.108 113.527 114.554 0.135 0.000 3.113 440 T HA -0.008 4.325 4.350 -0.028 0.000 0.256 440 T C 0.760 175.513 174.700 0.088 0.000 1.131 440 T CA 0.205 62.365 62.100 0.100 0.000 1.074 440 T CB -0.100 68.803 68.868 0.060 0.000 0.944 440 T HN 0.118 nan 8.240 nan 0.000 0.516 441 K N 2.435 122.887 120.400 0.087 0.000 2.184 441 K HA 0.396 4.699 4.320 -0.028 0.000 0.259 441 K C -1.207 175.462 176.600 0.115 0.000 1.119 441 K CA -0.183 56.154 56.287 0.083 0.000 0.991 441 K CB 0.469 33.008 32.500 0.065 0.000 1.522 441 K HN 0.048 nan 8.250 nan 0.000 0.405 442 V N 2.473 122.452 119.914 0.109 0.000 2.444 442 V HA 0.252 4.356 4.120 -0.028 0.000 0.294 442 V C -0.139 176.007 176.094 0.086 0.000 1.022 442 V CA -0.855 61.521 62.300 0.126 0.000 0.850 442 V CB 1.869 33.794 31.823 0.169 0.000 0.992 442 V HN 0.544 nan 8.190 nan 0.000 0.426 443 T N 3.471 118.045 114.554 0.032 0.000 2.771 443 T HA 0.257 4.591 4.350 -0.028 0.000 0.281 443 T C -0.232 174.402 174.700 -0.111 0.000 0.982 443 T CA -0.241 61.834 62.100 -0.042 0.000 0.978 443 T CB 1.202 70.009 68.868 -0.102 0.000 0.930 443 T HN 0.775 nan 8.240 nan 0.000 0.447 444 C N 5.030 124.218 119.300 -0.186 0.000 2.499 444 C HA 0.401 4.844 4.460 -0.028 0.000 0.386 444 C C 1.654 176.365 174.990 -0.465 0.000 1.293 444 C CA -0.557 58.134 59.018 -0.545 0.000 1.884 444 C CB -1.603 25.764 27.740 -0.622 0.000 2.509 444 C HN 0.989 nan 8.230 nan 0.000 0.566 445 L N 4.540 125.436 121.223 -0.545 0.000 2.529 445 L HA 0.096 4.419 4.340 -0.028 0.000 0.223 445 L C 2.028 178.593 176.870 -0.508 0.000 1.113 445 L CA 0.858 55.447 54.840 -0.419 0.000 0.861 445 L CB -0.189 41.648 42.059 -0.370 0.000 1.012 445 L HN 0.905 nan 8.230 nan 0.000 0.461 446 S N -3.450 111.836 115.700 -0.690 0.000 2.628 446 S HA -0.018 4.435 4.470 -0.028 0.000 0.246 446 S C 1.746 175.959 174.600 -0.645 0.000 1.062 446 S CA -0.110 57.581 58.200 -0.848 0.000 1.028 446 S CB -0.301 61.954 63.200 -1.575 0.000 0.985 446 S HN 0.279 nan 8.310 nan 0.000 0.551 447 C N 2.068 120.973 119.300 -0.658 0.000 2.396 447 C HA 0.000 4.444 4.460 -0.028 0.000 0.277 447 C C 2.321 177.024 174.990 -0.479 0.000 1.231 447 C CA 1.467 60.039 59.018 -0.743 0.000 1.775 447 C CB -1.130 26.000 27.740 -1.016 0.000 2.036 447 C HN 0.625 nan 8.230 nan 0.000 0.484 448 E N -0.243 119.766 120.200 -0.318 0.000 2.498 448 E HA 0.207 4.540 4.350 -0.028 0.000 0.203 448 E C 1.847 178.388 176.600 -0.099 0.000 1.013 448 E CA -0.118 56.182 56.400 -0.166 0.000 0.927 448 E CB -0.131 29.494 29.700 -0.124 0.000 1.012 448 E HN 0.542 nan 8.360 nan 0.000 0.482 449 L N 0.295 121.457 121.223 -0.103 0.000 2.012 449 L HA -0.081 4.242 4.340 -0.028 0.000 0.210 449 L C 0.920 177.795 176.870 0.009 0.000 1.073 449 L CA 0.953 55.776 54.840 -0.027 0.000 0.748 449 L CB -0.029 42.033 42.059 0.006 0.000 0.891 449 L HN 0.141 nan 8.230 nan 0.000 0.431 450 N N -1.379 117.335 118.700 0.025 0.000 2.946 450 N HA 0.081 4.804 4.740 -0.028 0.000 0.213 450 N C -2.160 173.360 175.510 0.016 0.000 1.440 450 N CA -0.830 52.229 53.050 0.015 0.000 0.745 450 N CB 0.929 39.422 38.487 0.010 0.000 1.471 450 N HN -0.188 nan 8.380 nan 0.000 0.569 451 P HA -0.174 nan 4.420 nan 0.000 0.217 451 P C 0.977 178.306 177.300 0.047 0.000 1.148 451 P CA 1.146 64.271 63.100 0.041 0.000 0.828 451 P CB 0.693 32.434 31.700 0.067 0.000 0.783 452 E N 0.003 120.218 120.200 0.026 0.000 2.107 452 E HA -0.172 4.161 4.350 -0.028 0.000 0.191 452 E C 2.290 178.888 176.600 -0.003 0.000 0.982 452 E CA 0.714 57.124 56.400 0.017 0.000 0.809 452 E CB 0.056 29.760 29.700 0.007 0.000 0.756 452 E HN 0.106 nan 8.360 nan 0.000 0.459 453 R N -1.023 119.463 120.500 -0.023 0.000 2.225 453 R HA 0.159 4.482 4.340 -0.028 0.000 0.194 453 R C -0.224 176.022 176.300 -0.090 0.000 0.957 453 R CA 0.410 56.474 56.100 -0.059 0.000 1.042 453 R CB 0.362 30.618 30.300 -0.074 0.000 1.004 453 R HN -0.004 nan 8.270 nan 0.000 0.509 454 c N 1.492 120.042 118.600 -0.084 0.000 2.316 454 c HA 0.456 5.010 4.570 -0.028 0.000 0.324 454 c C -0.239 173.785 174.090 -0.109 0.000 1.226 454 c CA -0.558 55.653 56.329 -0.196 0.000 1.450 454 c CB 1.207 43.570 42.510 -0.245 0.000 2.123 454 c HN 0.608 nan 8.230 nan 0.000 0.454 455 Q N 0.604 120.334 119.800 -0.117 0.000 2.073 455 Q HA 0.187 4.510 4.340 -0.028 0.000 0.215 455 Q C -1.014 175.012 176.000 0.043 0.000 0.776 455 Q CA 0.046 55.862 55.803 0.022 0.000 1.008 455 Q CB 1.292 30.078 28.738 0.080 0.000 1.196 455 Q HN 0.790 nan 8.270 nan 0.000 0.458 456 Y N 0.453 120.617 120.300 -0.227 0.000 2.373 456 Y HA 0.379 4.897 4.550 -0.053 0.000 0.327 456 Y C -1.629 174.106 175.900 -0.275 0.000 1.036 456 Y CA -0.986 57.019 58.100 -0.159 0.000 1.265 456 Y CB 0.726 39.110 38.460 -0.127 0.000 1.108 456 Y HN -0.065 nan 8.280 nan 0.000 0.471 457 Y N 2.327 122.564 120.300 -0.105 0.000 2.446 457 Y HA 0.632 5.159 4.550 -0.039 0.000 0.338 457 Y C 0.324 176.172 175.900 -0.088 0.000 1.055 457 Y CA -0.568 57.476 58.100 -0.093 0.000 1.101 457 Y CB 2.153 40.517 38.460 -0.161 0.000 1.221 457 Y HN 0.518 nan 8.280 nan 0.000 0.460 458 S N 1.077 116.854 115.700 0.129 0.000 2.677 458 S HA 0.879 5.332 4.470 -0.028 0.000 0.304 458 S C -1.448 173.189 174.600 0.062 0.000 1.108 458 S CA -0.763 57.490 58.200 0.089 0.000 0.944 458 S CB 1.925 65.189 63.200 0.107 0.000 1.127 458 S HN 0.599 nan 8.310 nan 0.000 0.511 459 V N 0.281 120.216 119.914 0.035 0.000 3.049 459 V HA 0.855 4.958 4.120 -0.028 0.000 0.309 459 V C -1.281 174.820 176.094 0.010 0.000 1.148 459 V CA -0.245 62.024 62.300 -0.052 0.000 0.990 459 V CB 2.318 33.980 31.823 -0.267 0.000 1.039 459 V HN 1.206 nan 8.190 nan 0.000 0.430 460 S N 4.880 120.583 115.700 0.005 0.000 2.789 460 S HA 0.651 5.104 4.470 -0.028 0.000 0.286 460 S C -1.120 173.619 174.600 0.233 0.000 1.153 460 S CA -0.402 57.920 58.200 0.203 0.000 1.084 460 S CB 0.411 63.791 63.200 0.300 0.000 1.036 460 S HN 0.509 nan 8.310 nan 0.000 0.484 461 F N 3.062 123.122 119.950 0.182 0.000 2.382 461 F HA 0.427 4.937 4.527 -0.029 0.000 0.331 461 F C 1.503 177.019 175.800 -0.473 0.000 1.121 461 F CA -0.149 57.826 58.000 -0.042 0.000 1.183 461 F CB 1.193 40.121 39.000 -0.121 0.000 1.207 461 F HN 0.654 nan 8.300 nan 0.000 0.555 462 S N 1.197 116.432 115.700 -0.775 0.000 2.608 462 S HA 0.109 4.562 4.470 -0.028 0.000 0.261 462 S C 1.229 175.538 174.600 -0.484 0.000 1.314 462 S CA -0.655 56.651 58.200 -1.490 0.000 0.992 462 S CB 0.838 63.302 63.200 -1.226 0.000 0.935 462 S HN 0.757 nan 8.310 nan 0.000 0.564 463 K N 0.296 120.529 120.400 -0.278 0.000 2.173 463 K HA -0.174 4.129 4.320 -0.028 0.000 0.207 463 K C 1.169 177.737 176.600 -0.053 0.000 1.046 463 K CA 2.067 58.318 56.287 -0.060 0.000 0.929 463 K CB -0.135 32.370 32.500 0.008 0.000 0.720 463 K HN 0.761 nan 8.250 nan 0.000 0.453 464 E N -1.889 118.251 120.200 -0.099 0.000 2.869 464 E HA 0.325 4.658 4.350 -0.028 0.000 0.207 464 E C -0.698 175.852 176.600 -0.082 0.000 0.986 464 E CA 0.481 56.844 56.400 -0.063 0.000 1.131 464 E CB 0.904 30.576 29.700 -0.047 0.000 1.098 464 E HN 0.340 nan 8.360 nan 0.000 0.459 465 A N 0.435 123.195 122.820 -0.100 0.000 2.816 465 A HA -0.358 3.945 4.320 -0.028 0.000 0.270 465 A C 1.580 179.141 177.584 -0.037 0.000 1.413 465 A CA 1.593 53.590 52.037 -0.068 0.000 0.866 465 A CB -1.715 17.125 19.000 -0.267 0.000 1.032 465 A HN 0.353 nan 8.150 nan 0.000 0.642 466 K N -1.816 118.504 120.400 -0.135 0.000 2.026 466 K HA -0.051 4.252 4.320 -0.028 0.000 0.208 466 K C 0.383 176.709 176.600 -0.457 0.000 1.048 466 K CA 1.934 58.039 56.287 -0.302 0.000 0.929 466 K CB -0.068 32.213 32.500 -0.365 0.000 0.713 466 K HN 0.719 nan 8.250 nan 0.000 0.439 467 Y N -1.485 118.752 120.300 -0.105 0.000 2.659 467 Y HA 0.332 4.864 4.550 -0.029 0.000 0.333 467 Y C -0.677 175.213 175.900 -0.017 0.000 1.064 467 Y CA -1.432 56.620 58.100 -0.079 0.000 1.141 467 Y CB 1.263 39.687 38.460 -0.060 0.000 1.316 467 Y HN -0.013 nan 8.280 nan 0.000 0.509 468 Y N -1.348 119.008 120.300 0.093 0.000 2.479 468 Y HA 0.465 4.998 4.550 -0.029 0.000 0.338 468 Y C -1.126 174.815 175.900 0.069 0.000 1.055 468 Y CA -1.509 56.495 58.100 -0.159 0.000 1.023 468 Y CB 1.296 39.194 38.460 -0.936 0.000 1.287 468 Y HN 0.615 nan 8.280 nan 0.000 0.447 469 Q N 4.084 124.023 119.800 0.231 0.000 2.256 469 Q HA 0.512 4.836 4.340 -0.028 0.000 0.254 469 Q C -1.628 174.450 176.000 0.131 0.000 0.916 469 Q CA -0.639 55.244 55.803 0.132 0.000 0.932 469 Q CB 1.174 29.939 28.738 0.045 0.000 1.207 469 Q HN 0.968 nan 8.270 nan 0.000 0.426 470 L N 4.453 125.773 121.223 0.161 0.000 2.275 470 L HA 0.493 4.816 4.340 -0.028 0.000 0.288 470 L C -0.000 176.921 176.870 0.086 0.000 1.046 470 L CA -0.465 54.454 54.840 0.132 0.000 0.805 470 L CB 1.388 43.519 42.059 0.120 0.000 1.193 470 L HN 0.601 nan 8.230 nan 0.000 0.426 471 R N 3.579 124.098 120.500 0.033 0.000 2.288 471 R HA 0.337 4.660 4.340 -0.028 0.000 0.326 471 R C -0.994 175.152 176.300 -0.258 0.000 0.959 471 R CA -0.459 55.497 56.100 -0.239 0.000 0.834 471 R CB 1.262 31.439 30.300 -0.205 0.000 1.157 471 R HN 0.726 nan 8.270 nan 0.000 0.470 472 c N 3.460 121.782 118.600 -0.462 0.000 2.295 472 c HA 0.473 5.026 4.570 -0.028 0.000 0.331 472 c C 0.739 174.586 174.090 -0.404 0.000 1.280 472 c CA -0.327 55.636 56.329 -0.610 0.000 1.746 472 c CB 1.059 43.157 42.510 -0.687 0.000 2.328 472 c HN 0.947 nan 8.230 nan 0.000 0.521 473 S N 3.089 118.638 115.700 -0.252 0.000 2.559 473 S HA 0.558 5.011 4.470 -0.028 0.000 0.226 473 S C 0.538 175.084 174.600 -0.090 0.000 1.000 473 S CA 0.389 58.503 58.200 -0.144 0.000 0.948 473 S CB 0.388 63.513 63.200 -0.126 0.000 0.870 473 S HN 1.457 nan 8.310 nan 0.000 0.497 474 G N 1.747 110.482 108.800 -0.107 0.000 2.320 474 G HA2 0.284 4.227 3.960 -0.028 0.000 0.297 474 G HA3 0.284 4.227 3.960 -0.028 0.000 0.297 474 G C -3.040 171.828 174.900 -0.052 0.000 1.344 474 G CA -0.656 44.422 45.100 -0.036 0.000 0.851 474 G HN -0.183 nan 8.290 nan 0.000 0.567 475 P HA 0.150 nan 4.420 nan 0.000 0.236 475 P C 1.321 178.624 177.300 0.005 0.000 1.177 475 P CA 1.271 64.393 63.100 0.037 0.000 0.773 475 P CB 0.334 32.057 31.700 0.038 0.000 0.878 476 G N 0.569 109.307 108.800 -0.104 0.000 2.508 476 G HA2 0.340 4.283 3.960 -0.028 0.000 0.278 476 G HA3 0.340 4.283 3.960 -0.028 0.000 0.278 476 G C -0.524 174.134 174.900 -0.403 0.000 1.389 476 G CA -0.418 44.540 45.100 -0.237 0.000 1.050 476 G HN -0.036 nan 8.290 nan 0.000 0.522 477 L N 1.201 122.137 121.223 -0.480 0.000 2.456 477 L HA 0.270 4.593 4.340 -0.028 0.000 0.272 477 L C -1.710 175.037 176.870 -0.205 0.000 1.189 477 L CA -1.677 52.886 54.840 -0.462 0.000 0.846 477 L CB 0.483 42.338 42.059 -0.340 0.000 1.111 477 L HN 0.215 nan 8.230 nan 0.000 0.475 478 P HA 0.071 nan 4.420 nan 0.000 0.264 478 P C -0.980 176.304 177.300 -0.028 0.000 1.183 478 P CA 0.009 63.072 63.100 -0.063 0.000 0.763 478 P CB 0.467 32.233 31.700 0.109 0.000 0.807 479 L N 5.186 126.311 121.223 -0.165 0.000 2.406 479 L HA 0.461 4.784 4.340 -0.028 0.000 0.272 479 L C -1.646 175.138 176.870 -0.143 0.000 0.980 479 L CA -0.554 54.249 54.840 -0.062 0.000 0.831 479 L CB 0.845 42.855 42.059 -0.082 0.000 1.253 479 L HN 0.258 nan 8.230 nan 0.000 0.406 480 Y N 3.070 123.338 120.300 -0.052 0.000 2.335 480 Y HA 0.699 5.237 4.550 -0.021 0.000 0.338 480 Y C 0.534 176.345 175.900 -0.148 0.000 0.977 480 Y CA -0.587 57.467 58.100 -0.077 0.000 1.114 480 Y CB 2.018 40.423 38.460 -0.092 0.000 1.182 480 Y HN 0.665 nan 8.280 nan 0.000 0.463 481 T N 1.482 116.050 114.554 0.023 0.000 2.901 481 T HA 0.665 4.998 4.350 -0.028 0.000 0.293 481 T C -1.272 173.351 174.700 -0.127 0.000 1.084 481 T CA -0.976 61.076 62.100 -0.081 0.000 1.008 481 T CB 1.942 70.821 68.868 0.018 0.000 1.170 481 T HN 0.542 nan 8.240 nan 0.000 0.509 482 L N 1.474 122.482 121.223 -0.358 0.000 2.346 482 L HA 0.595 4.919 4.340 -0.028 0.000 0.274 482 L C -0.834 175.679 176.870 -0.595 0.000 1.007 482 L CA -0.785 53.882 54.840 -0.288 0.000 0.818 482 L CB 1.601 43.527 42.059 -0.222 0.000 1.284 482 L HN 0.856 nan 8.230 nan 0.000 0.424 483 H N 1.230 120.088 119.070 -0.354 0.000 2.961 483 H HA 0.291 4.831 4.556 -0.026 0.000 0.371 483 H C -0.792 174.321 175.328 -0.358 0.000 1.190 483 H CA -0.752 54.990 56.048 -0.509 0.000 1.138 483 H CB 2.367 31.480 29.762 -1.081 0.000 1.816 483 H HN 0.521 nan 8.280 nan 0.000 0.551 484 S N 0.168 115.811 115.700 -0.096 0.000 2.429 484 S HA 0.097 4.550 4.470 -0.028 0.000 0.302 484 S C 1.198 175.766 174.600 -0.054 0.000 1.115 484 S CA -0.325 57.820 58.200 -0.093 0.000 1.095 484 S CB 1.608 64.767 63.200 -0.068 0.000 0.987 484 S HN 0.712 nan 8.310 nan 0.000 0.474 485 S N 3.193 118.891 115.700 -0.003 0.000 2.515 485 S HA -0.098 4.355 4.470 -0.028 0.000 0.231 485 S C 1.580 176.236 174.600 0.092 0.000 0.987 485 S CA 0.733 59.047 58.200 0.189 0.000 0.936 485 S CB -0.505 62.827 63.200 0.219 0.000 0.766 485 S HN 0.809 nan 8.310 nan 0.000 0.528 486 V N 2.994 122.910 119.914 0.003 0.000 2.343 486 V HA -0.134 3.969 4.120 -0.028 0.000 0.247 486 V C 1.458 177.567 176.094 0.025 0.000 1.051 486 V CA 2.308 64.617 62.300 0.014 0.000 1.036 486 V CB -0.657 31.155 31.823 -0.019 0.000 0.654 486 V HN 0.921 nan 8.190 nan 0.000 0.451 487 N N -2.395 116.316 118.700 0.018 0.000 2.184 487 N HA 0.103 4.827 4.740 -0.028 0.000 0.234 487 N C 0.105 175.631 175.510 0.027 0.000 1.282 487 N CA 0.451 53.511 53.050 0.016 0.000 0.877 487 N CB 0.134 38.626 38.487 0.009 0.000 1.184 487 N HN 0.448 nan 8.380 nan 0.000 0.510 488 D N 0.504 120.942 120.400 0.064 0.000 2.911 488 D HA -0.196 4.427 4.640 -0.028 0.000 0.227 488 D C -0.329 176.020 176.300 0.082 0.000 1.164 488 D CA 1.010 55.077 54.000 0.111 0.000 0.782 488 D CB -1.024 39.831 40.800 0.091 0.000 1.094 488 D HN 0.769 nan 8.370 nan 0.000 0.425 489 K N -0.177 120.248 120.400 0.042 0.000 2.154 489 K HA 0.496 4.800 4.320 -0.028 0.000 0.264 489 K C 0.655 177.259 176.600 0.006 0.000 1.008 489 K CA -0.321 55.982 56.287 0.026 0.000 0.937 489 K CB 1.139 33.636 32.500 -0.004 0.000 1.002 489 K HN -0.045 nan 8.250 nan 0.000 0.469 490 G N 2.913 111.690 108.800 -0.039 0.000 2.351 490 G HA2 0.219 4.163 3.960 -0.028 0.000 0.287 490 G HA3 0.219 4.163 3.960 -0.028 0.000 0.287 490 G C 0.488 175.248 174.900 -0.232 0.000 1.159 490 G CA -0.793 44.144 45.100 -0.272 0.000 0.929 490 G HN 0.671 nan 8.290 nan 0.000 0.435 491 L N 1.815 122.867 121.223 -0.284 0.000 2.095 491 L HA 0.248 4.571 4.340 -0.028 0.000 0.204 491 L C 1.609 178.380 176.870 -0.165 0.000 1.080 491 L CA 0.893 55.636 54.840 -0.161 0.000 0.759 491 L CB -0.213 41.779 42.059 -0.111 0.000 0.914 491 L HN 0.767 nan 8.230 nan 0.000 0.439 492 R N -1.794 118.561 120.500 -0.243 0.000 2.828 492 R HA 0.283 4.606 4.340 -0.028 0.000 0.280 492 R C -1.850 174.311 176.300 -0.232 0.000 1.020 492 R CA -0.841 55.143 56.100 -0.194 0.000 0.855 492 R CB 1.066 31.283 30.300 -0.138 0.000 1.278 492 R HN -0.266 nan 8.270 nan 0.000 0.495 493 V N 3.496 123.306 119.914 -0.173 0.000 2.432 493 V HA 0.189 4.292 4.120 -0.028 0.000 0.271 493 V C 1.335 177.295 176.094 -0.223 0.000 1.046 493 V CA -0.334 61.869 62.300 -0.162 0.000 0.945 493 V CB 1.059 32.825 31.823 -0.096 0.000 0.992 493 V HN 0.647 nan 8.190 nan 0.000 0.471 494 L N 2.539 123.564 121.223 -0.331 0.000 2.168 494 L HA 0.286 4.610 4.340 -0.028 0.000 0.203 494 L C 0.768 177.405 176.870 -0.388 0.000 1.078 494 L CA 0.731 55.194 54.840 -0.630 0.000 0.780 494 L CB 0.228 41.533 42.059 -1.257 0.000 0.939 494 L HN 0.689 nan 8.230 nan 0.000 0.451 495 E N -0.152 119.954 120.200 -0.156 0.000 2.311 495 E HA 0.108 4.441 4.350 -0.028 0.000 0.281 495 E C -1.193 175.457 176.600 0.084 0.000 0.905 495 E CA -0.384 56.021 56.400 0.008 0.000 0.778 495 E CB 1.231 30.947 29.700 0.027 0.000 1.240 495 E HN 0.147 nan 8.360 nan 0.000 0.410 496 D N 2.992 123.423 120.400 0.052 0.000 2.469 496 D HA 0.133 4.756 4.640 -0.028 0.000 0.213 496 D C -0.311 176.010 176.300 0.036 0.000 1.135 496 D CA -0.245 53.779 54.000 0.039 0.000 0.834 496 D CB -0.060 40.742 40.800 0.004 0.000 1.009 496 D HN 0.463 nan 8.370 nan 0.000 0.507 497 N N 0.577 119.311 118.700 0.057 0.000 2.735 497 N HA -0.196 4.527 4.740 -0.028 0.000 0.248 497 N C 0.755 176.278 175.510 0.023 0.000 1.083 497 N CA 0.881 53.960 53.050 0.048 0.000 0.703 497 N CB -1.190 37.323 38.487 0.043 0.000 1.005 497 N HN 0.430 nan 8.380 nan 0.000 0.550 498 S N -0.840 114.873 115.700 0.021 0.000 2.382 498 S HA -0.081 4.372 4.470 -0.028 0.000 0.228 498 S C 2.140 176.756 174.600 0.027 0.000 1.027 498 S CA 1.009 59.218 58.200 0.014 0.000 0.991 498 S CB -0.169 63.038 63.200 0.013 0.000 0.823 498 S HN 0.562 nan 8.310 nan 0.000 0.469 499 A N 2.274 125.119 122.820 0.042 0.000 1.865 499 A HA -0.022 4.281 4.320 -0.028 0.000 0.217 499 A C 2.238 179.867 177.584 0.076 0.000 1.191 499 A CA 1.727 53.798 52.037 0.057 0.000 0.623 499 A CB -0.983 18.054 19.000 0.061 0.000 0.826 499 A HN 0.471 nan 8.150 nan 0.000 0.444 500 L N 0.404 121.677 121.223 0.083 0.000 2.046 500 L HA -0.176 4.147 4.340 -0.028 0.000 0.208 500 L C 1.951 178.859 176.870 0.064 0.000 1.077 500 L CA 2.886 57.793 54.840 0.112 0.000 0.747 500 L CB -0.749 41.380 42.059 0.116 0.000 0.896 500 L HN 0.547 nan 8.230 nan 0.000 0.432 501 D N -0.883 119.527 120.400 0.017 0.000 2.149 501 D HA -0.253 4.370 4.640 -0.028 0.000 0.198 501 D C 2.206 178.509 176.300 0.005 0.000 0.990 501 D CA 1.389 55.379 54.000 -0.017 0.000 0.839 501 D CB -0.050 40.728 40.800 -0.037 0.000 0.948 501 D HN 0.286 nan 8.370 nan 0.000 0.460 502 K N -0.436 119.981 120.400 0.029 0.000 2.025 502 K HA -0.105 4.198 4.320 -0.028 0.000 0.207 502 K C 2.250 178.885 176.600 0.059 0.000 1.049 502 K CA 0.962 57.271 56.287 0.038 0.000 0.933 502 K CB -0.127 32.398 32.500 0.042 0.000 0.714 502 K HN 0.272 nan 8.250 nan 0.000 0.438 503 M N 0.600 120.260 119.600 0.100 0.000 2.082 503 M HA -0.228 4.235 4.480 -0.028 0.000 0.258 503 M C 1.984 178.330 176.300 0.075 0.000 1.069 503 M CA 1.340 56.740 55.300 0.167 0.000 1.102 503 M CB -0.337 32.463 32.600 0.334 0.000 1.336 503 M HN 0.058 nan 8.290 nan 0.000 0.404 504 L N 0.424 121.641 121.223 -0.011 0.000 2.353 504 L HA -0.182 4.141 4.340 -0.028 0.000 0.220 504 L C 2.375 179.214 176.870 -0.052 0.000 1.133 504 L CA 1.662 56.438 54.840 -0.107 0.000 0.798 504 L CB -1.072 40.935 42.059 -0.087 0.000 0.922 504 L HN 0.388 nan 8.230 nan 0.000 0.445 505 Q N -1.008 118.785 119.800 -0.010 0.000 2.170 505 Q HA -0.208 4.115 4.340 -0.028 0.000 0.203 505 Q C 1.962 177.971 176.000 0.016 0.000 0.976 505 Q CA 1.236 57.041 55.803 0.003 0.000 0.858 505 Q CB -0.142 28.605 28.738 0.015 0.000 0.907 505 Q HN 0.637 nan 8.270 nan 0.000 0.433 506 N N -0.005 118.712 118.700 0.028 0.000 2.270 506 N HA -0.063 4.660 4.740 -0.028 0.000 0.181 506 N C 0.470 176.005 175.510 0.042 0.000 1.016 506 N CA 0.318 53.397 53.050 0.048 0.000 0.870 506 N CB 0.419 38.955 38.487 0.081 0.000 0.979 506 N HN 0.028 nan 8.380 nan 0.000 0.431 507 V N 1.638 121.554 119.914 0.004 0.000 2.539 507 V HA 0.154 4.257 4.120 -0.028 0.000 0.292 507 V C -0.407 175.688 176.094 0.000 0.000 1.045 507 V CA -0.612 61.694 62.300 0.010 0.000 0.945 507 V CB 1.584 33.393 31.823 -0.024 0.000 0.993 507 V HN 0.113 nan 8.190 nan 0.000 0.464 508 Q N 6.528 126.340 119.800 0.020 0.000 2.409 508 Q HA 0.243 4.567 4.340 -0.028 0.000 0.240 508 Q C -0.434 175.535 176.000 -0.052 0.000 1.226 508 Q CA 0.073 55.856 55.803 -0.033 0.000 0.895 508 Q CB 0.380 29.108 28.738 -0.016 0.000 1.491 508 Q HN 0.628 nan 8.270 nan 0.000 0.509 509 M N 4.200 123.756 119.600 -0.074 0.000 2.249 509 M HA 0.372 4.835 4.480 -0.028 0.000 0.351 509 M C -2.008 174.225 176.300 -0.112 0.000 1.180 509 M CA -2.556 52.697 55.300 -0.079 0.000 1.127 509 M CB 0.376 32.940 32.600 -0.060 0.000 1.546 509 M HN 0.318 nan 8.290 nan 0.000 0.461 510 P HA 0.241 nan 4.420 nan 0.000 0.274 510 P C -0.665 176.556 177.300 -0.133 0.000 1.256 510 P CA -0.312 62.700 63.100 -0.147 0.000 0.795 510 P CB 0.540 32.138 31.700 -0.170 0.000 1.038 511 S N -0.704 114.900 115.700 -0.159 0.000 2.726 511 S HA 0.588 5.041 4.470 -0.028 0.000 0.308 511 S C -0.471 174.037 174.600 -0.155 0.000 1.115 511 S CA -0.782 57.341 58.200 -0.130 0.000 0.965 511 S CB 1.582 64.706 63.200 -0.127 0.000 1.145 511 S HN 0.359 nan 8.310 nan 0.000 0.532 512 K N 1.063 121.398 120.400 -0.108 0.000 2.502 512 K HA 0.345 4.648 4.320 -0.028 0.000 0.254 512 K C -1.449 175.100 176.600 -0.085 0.000 0.947 512 K CA -0.275 55.955 56.287 -0.095 0.000 0.834 512 K CB 1.614 34.088 32.500 -0.043 0.000 1.112 512 K HN 0.798 nan 8.250 nan 0.000 0.427 513 K N 5.207 125.541 120.400 -0.109 0.000 2.235 513 K HA 0.348 4.651 4.320 -0.028 0.000 0.266 513 K C -1.140 175.420 176.600 -0.067 0.000 0.980 513 K CA -0.628 55.608 56.287 -0.085 0.000 0.849 513 K CB 0.970 33.402 32.500 -0.114 0.000 1.098 513 K HN 0.462 nan 8.250 nan 0.000 0.445 514 L N 4.661 125.858 121.223 -0.044 0.000 2.343 514 L HA 0.479 4.803 4.340 -0.028 0.000 0.278 514 L C -1.408 175.444 176.870 -0.030 0.000 0.996 514 L CA -0.212 54.619 54.840 -0.014 0.000 0.831 514 L CB 1.311 43.432 42.059 0.104 0.000 1.232 514 L HN 0.903 nan 8.230 nan 0.000 0.413 515 D N 3.268 123.468 120.400 -0.333 0.000 2.825 515 D HA 0.504 5.127 4.640 -0.028 0.000 0.327 515 D C -1.561 174.415 176.300 -0.539 0.000 1.277 515 D CA 0.016 53.784 54.000 -0.386 0.000 0.950 515 D CB 2.285 42.827 40.800 -0.429 0.000 1.438 515 D HN 0.263 nan 8.370 nan 0.000 0.526 516 F N -0.065 119.561 119.950 -0.541 0.000 2.613 516 F HA 0.715 5.207 4.527 -0.059 0.000 0.314 516 F C -0.788 175.055 175.800 0.071 0.000 1.075 516 F CA -1.074 56.669 58.000 -0.428 0.000 0.945 516 F CB 0.806 39.057 39.000 -1.249 0.000 1.310 516 F HN 0.273 nan 8.300 nan 0.000 0.467 517 I N 0.428 121.231 120.570 0.388 0.000 2.910 517 I HA 0.672 4.825 4.170 -0.028 0.000 0.310 517 I C -1.211 175.131 176.117 0.376 0.000 1.043 517 I CA -1.200 60.265 61.300 0.275 0.000 1.053 517 I CB 2.099 40.247 38.000 0.246 0.000 1.242 517 I HN 0.480 nan 8.210 nan 0.000 0.452 518 I N 4.521 125.247 120.570 0.261 0.000 2.336 518 I HA 0.423 4.576 4.170 -0.028 0.000 0.292 518 I C -0.823 175.437 176.117 0.238 0.000 0.991 518 I CA -0.488 60.966 61.300 0.256 0.000 1.227 518 I CB 1.398 39.509 38.000 0.185 0.000 1.366 518 I HN 0.400 nan 8.210 nan 0.000 0.466 519 L N 7.014 128.438 121.223 0.335 0.000 2.372 519 L HA 0.444 4.768 4.340 -0.028 0.000 0.274 519 L C 0.015 177.038 176.870 0.254 0.000 0.988 519 L CA -0.366 54.643 54.840 0.282 0.000 0.833 519 L CB 0.793 43.050 42.059 0.331 0.000 1.236 519 L HN 0.507 nan 8.230 nan 0.000 0.410 520 N N 3.274 122.055 118.700 0.136 0.000 2.725 520 N HA -0.226 4.497 4.740 -0.028 0.000 0.251 520 N C 0.159 175.718 175.510 0.081 0.000 1.031 520 N CA 1.260 54.366 53.050 0.094 0.000 0.720 520 N CB -0.690 37.848 38.487 0.084 0.000 0.930 520 N HN 0.831 nan 8.380 nan 0.000 0.543 521 E N -3.688 116.556 120.200 0.073 0.000 2.971 521 E HA -0.250 4.084 4.350 -0.028 0.000 0.278 521 E C -0.590 176.019 176.600 0.015 0.000 1.009 521 E CA 1.281 57.708 56.400 0.044 0.000 0.862 521 E CB -1.726 27.990 29.700 0.027 0.000 1.436 521 E HN 0.490 nan 8.360 nan 0.000 0.434 522 T N 0.308 114.874 114.554 0.020 0.000 2.876 522 T HA 0.413 4.746 4.350 -0.028 0.000 0.289 522 T C -0.185 174.380 174.700 -0.225 0.000 1.014 522 T CA -0.864 61.155 62.100 -0.135 0.000 0.986 522 T CB 1.770 70.519 68.868 -0.198 0.000 1.021 522 T HN -0.009 nan 8.240 nan 0.000 0.458 523 K N 1.640 121.833 120.400 -0.345 0.000 2.249 523 K HA 0.546 4.850 4.320 -0.028 0.000 0.280 523 K C -1.131 175.154 176.600 -0.524 0.000 1.033 523 K CA -0.173 55.919 56.287 -0.325 0.000 0.946 523 K CB 0.514 32.720 32.500 -0.490 0.000 1.005 523 K HN 0.376 nan 8.250 nan 0.000 0.469 524 F N 1.838 121.849 119.950 0.102 0.000 2.536 524 F HA 0.305 4.816 4.527 -0.027 0.000 0.322 524 F C -0.818 175.075 175.800 0.155 0.000 1.144 524 F CA -0.787 57.295 58.000 0.135 0.000 0.924 524 F CB 0.929 40.025 39.000 0.161 0.000 1.181 524 F HN 0.418 nan 8.300 nan 0.000 0.438 525 W N 3.925 125.398 121.300 0.287 0.000 2.251 525 W HA 0.507 5.207 4.660 0.066 0.000 0.329 525 W C -0.498 176.249 176.519 0.380 0.000 1.234 525 W CA -0.519 57.006 57.345 0.301 0.000 1.228 525 W CB 0.529 30.090 29.460 0.168 0.000 1.135 525 W HN 0.459 nan 8.180 nan 0.000 0.576 526 Y N -0.296 120.347 120.300 0.572 0.000 2.588 526 Y HA 0.641 5.196 4.550 0.010 0.000 0.343 526 Y C -0.896 175.235 175.900 0.385 0.000 1.065 526 Y CA -1.885 56.550 58.100 0.560 0.000 1.038 526 Y CB 1.106 40.055 38.460 0.815 0.000 1.297 526 Y HN 0.567 nan 8.280 nan 0.000 0.467 527 Q N 2.314 122.364 119.800 0.416 0.000 2.413 527 Q HA 0.767 5.090 4.340 -0.028 0.000 0.276 527 Q C -1.744 174.384 176.000 0.212 0.000 1.099 527 Q CA -1.181 54.741 55.803 0.198 0.000 0.814 527 Q CB 3.292 32.112 28.738 0.136 0.000 1.379 527 Q HN 0.884 nan 8.270 nan 0.000 0.436 528 M N 2.320 121.961 119.600 0.070 0.000 2.327 528 M HA 0.425 4.888 4.480 -0.028 0.000 0.298 528 M C -1.343 174.880 176.300 -0.128 0.000 1.065 528 M CA -0.896 54.375 55.300 -0.049 0.000 0.916 528 M CB 2.201 34.727 32.600 -0.125 0.000 1.630 528 M HN 0.604 nan 8.290 nan 0.000 0.442 529 I N 5.240 125.729 120.570 -0.135 0.000 2.297 529 I HA 0.355 4.508 4.170 -0.028 0.000 0.291 529 I C -0.510 175.447 176.117 -0.265 0.000 1.033 529 I CA -0.265 60.929 61.300 -0.176 0.000 1.253 529 I CB 0.269 38.185 38.000 -0.140 0.000 1.396 529 I HN 0.628 nan 8.210 nan 0.000 0.476 530 L N 8.467 129.476 121.223 -0.356 0.000 2.309 530 L HA 0.478 4.801 4.340 -0.028 0.000 0.282 530 L C -2.208 174.462 176.870 -0.333 0.000 1.036 530 L CA -1.833 52.685 54.840 -0.535 0.000 0.806 530 L CB 1.337 42.849 42.059 -0.912 0.000 1.220 530 L HN 0.280 nan 8.230 nan 0.000 0.429 531 P HA 0.083 nan 4.420 nan 0.000 0.269 531 P C -2.502 174.754 177.300 -0.073 0.000 1.217 531 P CA -0.918 62.119 63.100 -0.106 0.000 0.783 531 P CB -0.221 31.482 31.700 0.004 0.000 0.898 532 P HA -0.021 nan 4.420 nan 0.000 0.269 532 P C -0.252 176.923 177.300 -0.208 0.000 1.209 532 P CA 0.712 63.646 63.100 -0.276 0.000 0.776 532 P CB -0.183 31.270 31.700 -0.412 0.000 0.876 533 H N -1.227 117.881 119.070 0.062 0.000 2.791 533 H HA -0.211 4.329 4.556 -0.027 0.000 0.302 533 H C 0.061 175.444 175.328 0.092 0.000 1.198 533 H CA -0.041 56.045 56.048 0.064 0.000 1.145 533 H CB -2.431 27.360 29.762 0.049 0.000 1.385 533 H HN 0.387 nan 8.280 nan 0.000 0.409 534 F N 2.385 122.325 119.950 -0.017 0.000 2.623 534 F HA 0.140 4.655 4.527 -0.021 0.000 0.383 534 F C 0.625 176.421 175.800 -0.008 0.000 1.077 534 F CA 0.161 58.098 58.000 -0.105 0.000 1.268 534 F CB 0.523 39.345 39.000 -0.297 0.000 1.053 534 F HN 0.165 nan 8.300 nan 0.000 0.571 535 D N 6.060 126.074 120.400 -0.642 0.000 2.469 535 D HA 0.117 4.740 4.640 -0.028 0.000 0.251 535 D C 0.465 176.448 176.300 -0.528 0.000 1.173 535 D CA -0.553 53.217 54.000 -0.384 0.000 0.882 535 D CB 1.099 41.823 40.800 -0.126 0.000 1.129 535 D HN 0.697 nan 8.370 nan 0.000 0.549 536 K N 1.106 121.258 120.400 -0.414 0.000 2.515 536 K HA -0.087 4.216 4.320 -0.028 0.000 0.196 536 K C 1.001 177.624 176.600 0.038 0.000 1.038 536 K CA 0.894 57.106 56.287 -0.125 0.000 0.967 536 K CB -0.053 32.539 32.500 0.154 0.000 0.780 536 K HN 0.183 nan 8.250 nan 0.000 0.483 537 S N -0.250 115.432 115.700 -0.031 0.000 2.593 537 S HA 0.092 4.545 4.470 -0.028 0.000 0.217 537 S C 0.532 175.110 174.600 -0.037 0.000 0.966 537 S CA -0.327 57.866 58.200 -0.013 0.000 0.914 537 S CB 0.037 63.222 63.200 -0.026 0.000 0.776 537 S HN 0.197 nan 8.310 nan 0.000 0.523 538 K N 1.340 121.701 120.400 -0.066 0.000 2.118 538 K HA 0.364 4.668 4.320 -0.028 0.000 0.254 538 K C -0.736 175.805 176.600 -0.098 0.000 0.961 538 K CA -0.659 55.526 56.287 -0.170 0.000 0.876 538 K CB 0.757 33.025 32.500 -0.387 0.000 1.077 538 K HN -0.014 nan 8.250 nan 0.000 0.440 539 K N 3.170 123.458 120.400 -0.186 0.000 2.281 539 K HA 0.223 4.526 4.320 -0.028 0.000 0.272 539 K C -0.872 175.632 176.600 -0.159 0.000 1.048 539 K CA -0.274 55.974 56.287 -0.065 0.000 0.898 539 K CB 0.488 32.944 32.500 -0.073 0.000 1.128 539 K HN 0.435 nan 8.250 nan 0.000 0.460 540 Y N 2.656 122.976 120.300 0.034 0.000 2.387 540 Y HA 0.284 4.820 4.550 -0.023 0.000 0.330 540 Y C -1.764 174.079 175.900 -0.094 0.000 1.133 540 Y CA -2.461 55.638 58.100 -0.003 0.000 1.152 540 Y CB 0.908 39.428 38.460 0.099 0.000 1.215 540 Y HN 0.430 nan 8.280 nan 0.000 0.466 541 P HA 0.102 nan 4.420 nan 0.000 0.269 541 P C -1.112 176.059 177.300 -0.216 0.000 1.209 541 P CA -0.086 62.728 63.100 -0.476 0.000 0.776 541 P CB 0.740 31.878 31.700 -0.937 0.000 0.876 542 L N 2.998 124.118 121.223 -0.173 0.000 2.385 542 L HA 0.588 4.911 4.340 -0.028 0.000 0.273 542 L C -1.429 175.628 176.870 0.311 0.000 0.990 542 L CA -1.083 53.813 54.840 0.093 0.000 0.821 542 L CB 1.691 43.819 42.059 0.115 0.000 1.279 542 L HN 0.132 nan 8.230 nan 0.000 0.412 543 L N 5.412 126.841 121.223 0.343 0.000 2.298 543 L HA 0.509 4.833 4.340 -0.028 0.000 0.284 543 L C -1.259 175.858 176.870 0.412 0.000 1.013 543 L CA -0.342 54.761 54.840 0.438 0.000 0.824 543 L CB 1.542 43.816 42.059 0.359 0.000 1.221 543 L HN 0.625 nan 8.230 nan 0.000 0.418 544 L N 5.134 126.649 121.223 0.487 0.000 2.278 544 L HA 0.386 4.709 4.340 -0.028 0.000 0.287 544 L C -0.568 176.562 176.870 0.434 0.000 1.072 544 L CA 0.226 55.343 54.840 0.462 0.000 0.819 544 L CB 0.557 42.931 42.059 0.525 0.000 1.176 544 L HN 0.666 nan 8.230 nan 0.000 0.435 545 D N 4.555 125.187 120.400 0.386 0.000 2.359 545 D HA 0.250 4.874 4.640 -0.028 0.000 0.230 545 D C -1.020 175.379 176.300 0.166 0.000 1.118 545 D CA -0.021 54.138 54.000 0.265 0.000 0.844 545 D CB 1.304 42.337 40.800 0.388 0.000 1.059 545 D HN 0.318 nan 8.370 nan 0.000 0.493 546 V N 5.548 125.487 119.914 0.043 0.000 2.628 546 V HA 0.437 4.540 4.120 -0.028 0.000 0.306 546 V C -0.851 175.341 176.094 0.163 0.000 1.045 546 V CA -0.447 61.937 62.300 0.140 0.000 0.905 546 V CB 1.706 33.611 31.823 0.138 0.000 0.997 546 V HN 0.682 nan 8.190 nan 0.000 0.436 547 Y N 5.333 125.711 120.300 0.129 0.000 2.891 547 Y HA 0.548 5.080 4.550 -0.029 0.000 0.228 547 Y C 1.607 177.656 175.900 0.248 0.000 1.000 547 Y CA 1.110 59.313 58.100 0.171 0.000 1.491 547 Y CB 0.334 38.881 38.460 0.145 0.000 1.394 547 Y HN 0.988 nan 8.280 nan 0.000 0.477 548 A N 0.809 123.744 122.820 0.190 0.000 2.899 548 A HA -0.163 4.140 4.320 -0.028 0.000 0.257 548 A C 0.853 178.276 177.584 -0.268 0.000 1.335 548 A CA 0.779 52.864 52.037 0.080 0.000 0.924 548 A CB -2.529 16.579 19.000 0.179 0.000 1.105 548 A HN 0.911 nan 8.150 nan 0.000 0.765 549 G N -0.866 107.524 108.800 -0.683 0.000 2.634 549 G HA2 0.477 4.420 3.960 -0.028 0.000 0.255 549 G HA3 0.477 4.420 3.960 -0.028 0.000 0.255 549 G C -2.268 172.313 174.900 -0.532 0.000 1.205 549 G CA -0.733 43.597 45.100 -1.282 0.000 0.884 549 G HN 0.309 nan 8.290 nan 0.000 0.549 550 P HA 0.117 nan 4.420 nan 0.000 0.267 550 P C 0.577 177.704 177.300 -0.289 0.000 1.205 550 P CA 0.017 62.814 63.100 -0.504 0.000 0.765 550 P CB 0.838 31.829 31.700 -1.182 0.000 0.828 551 C N 2.332 121.545 119.300 -0.145 0.000 4.392 551 C HA -0.167 4.277 4.460 -0.028 0.000 0.280 551 C C 1.067 176.081 174.990 0.039 0.000 1.381 551 C CA 1.211 60.115 59.018 -0.190 0.000 1.871 551 C CB -2.719 24.738 27.740 -0.472 0.000 1.323 551 C HN 0.812 nan 8.230 nan 0.000 0.772 552 S N 0.101 115.899 115.700 0.164 0.000 2.600 552 S HA 0.482 4.936 4.470 -0.028 0.000 0.265 552 S C -0.569 174.224 174.600 0.322 0.000 1.325 552 S CA 0.408 58.808 58.200 0.333 0.000 1.002 552 S CB 1.458 64.919 63.200 0.436 0.000 0.921 552 S HN 0.851 nan 8.310 nan 0.000 0.554 553 Q N 0.031 120.043 119.800 0.354 0.000 2.275 553 Q HA 0.364 4.687 4.340 -0.028 0.000 0.258 553 Q C -0.747 175.396 176.000 0.238 0.000 0.960 553 Q CA -0.632 55.361 55.803 0.318 0.000 0.801 553 Q CB 1.076 30.047 28.738 0.388 0.000 1.302 553 Q HN 0.698 nan 8.270 nan 0.000 0.433 554 K N 1.105 121.643 120.400 0.230 0.000 2.373 554 K HA 0.356 4.659 4.320 -0.028 0.000 0.200 554 K C -0.514 176.205 176.600 0.198 0.000 1.054 554 K CA 0.285 56.695 56.287 0.206 0.000 1.065 554 K CB 1.633 34.282 32.500 0.247 0.000 0.886 554 K HN 0.508 nan 8.250 nan 0.000 0.546 555 A N 2.707 125.655 122.820 0.214 0.000 2.267 555 A HA 0.478 4.782 4.320 -0.028 0.000 0.315 555 A C -0.803 176.872 177.584 0.152 0.000 1.297 555 A CA -0.483 51.684 52.037 0.216 0.000 0.865 555 A CB 0.297 19.487 19.000 0.318 0.000 1.165 555 A HN 0.242 nan 8.150 nan 0.000 0.513 556 D N -0.038 120.425 120.400 0.105 0.000 2.759 556 D HA 0.397 5.020 4.640 -0.028 0.000 0.321 556 D C 0.310 176.643 176.300 0.055 0.000 1.267 556 D CA 0.316 54.368 54.000 0.086 0.000 0.933 556 D CB 0.274 41.132 40.800 0.098 0.000 1.431 556 D HN 0.213 nan 8.370 nan 0.000 0.504 557 T N -2.264 112.344 114.554 0.090 0.000 3.186 557 T HA 0.340 4.673 4.350 -0.028 0.000 0.257 557 T C 0.397 175.081 174.700 -0.026 0.000 1.029 557 T CA -0.358 61.781 62.100 0.065 0.000 0.916 557 T CB -0.611 68.334 68.868 0.127 0.000 1.041 557 T HN 0.266 nan 8.240 nan 0.000 0.562 558 V N 2.544 122.338 119.914 -0.200 0.000 2.614 558 V HA 0.344 4.447 4.120 -0.028 0.000 0.291 558 V C 0.049 176.092 176.094 -0.084 0.000 1.049 558 V CA -0.862 61.270 62.300 -0.280 0.000 1.038 558 V CB 0.273 31.794 31.823 -0.503 0.000 0.980 558 V HN 0.569 nan 8.190 nan 0.000 0.481 559 F N 6.233 126.089 119.950 -0.157 0.000 2.410 559 F HA 0.598 5.103 4.527 -0.038 0.000 0.348 559 F C 0.439 176.182 175.800 -0.093 0.000 1.106 559 F CA -0.262 57.672 58.000 -0.110 0.000 1.163 559 F CB 0.431 39.376 39.000 -0.092 0.000 1.129 559 F HN 0.417 nan 8.300 nan 0.000 0.516 560 R N 6.036 126.061 120.500 -0.792 0.000 2.744 560 R HA 0.585 4.909 4.340 -0.028 0.000 0.279 560 R C -1.656 174.201 176.300 -0.738 0.000 0.977 560 R CA -1.095 54.676 56.100 -0.549 0.000 0.906 560 R CB 2.170 32.302 30.300 -0.280 0.000 1.197 560 R HN 0.657 nan 8.270 nan 0.000 0.463 561 L N 3.828 124.830 121.223 -0.368 0.000 2.324 561 L HA 0.421 4.744 4.340 -0.028 0.000 0.274 561 L C -0.679 176.163 176.870 -0.046 0.000 1.012 561 L CA -0.628 54.054 54.840 -0.264 0.000 0.859 561 L CB 0.649 42.703 42.059 -0.009 0.000 1.224 561 L HN 0.770 nan 8.230 nan 0.000 0.429 562 N N 0.346 118.930 118.700 -0.192 0.000 3.418 562 N HA 0.164 4.888 4.740 -0.028 0.000 0.316 562 N C 0.171 175.291 175.510 -0.650 0.000 1.601 562 N CA -0.883 51.960 53.050 -0.345 0.000 0.805 562 N CB 0.181 38.596 38.487 -0.121 0.000 1.873 562 N HN 0.294 nan 8.380 nan 0.000 0.615 563 W N 0.697 121.374 121.300 -1.038 0.000 2.338 563 W HA 0.133 4.776 4.660 -0.029 0.000 0.304 563 W C 2.135 178.581 176.519 -0.121 0.000 1.212 563 W CA 3.010 59.980 57.345 -0.625 0.000 1.264 563 W CB -1.051 28.226 29.460 -0.305 0.000 1.142 563 W HN 0.712 nan 8.180 nan 0.000 0.512 564 A N -0.269 122.502 122.820 -0.082 0.000 1.917 564 A HA -0.273 4.030 4.320 -0.028 0.000 0.219 564 A C 1.966 179.418 177.584 -0.219 0.000 1.182 564 A CA 2.886 54.819 52.037 -0.175 0.000 0.633 564 A CB -1.422 17.563 19.000 -0.025 0.000 0.819 564 A HN 0.323 nan 8.150 nan 0.000 0.448 565 T N -1.202 113.224 114.554 -0.214 0.000 2.624 565 T HA -0.282 4.051 4.350 -0.028 0.000 0.268 565 T C 1.756 176.411 174.700 -0.074 0.000 1.041 565 T CA 1.925 63.864 62.100 -0.269 0.000 1.159 565 T CB -0.633 67.889 68.868 -0.576 0.000 0.863 565 T HN 0.706 nan 8.240 nan 0.000 0.434 566 Y N 1.923 122.242 120.300 0.032 0.000 2.128 566 Y HA -0.151 4.383 4.550 -0.028 0.000 0.284 566 Y C 2.082 177.955 175.900 -0.045 0.000 1.154 566 Y CA 1.229 59.416 58.100 0.147 0.000 1.149 566 Y CB -0.571 37.987 38.460 0.163 0.000 0.976 566 Y HN 0.117 nan 8.280 nan 0.000 0.505 567 L N 0.461 121.213 121.223 -0.785 0.000 2.042 567 L HA -0.229 4.094 4.340 -0.028 0.000 0.210 567 L C 2.918 179.532 176.870 -0.427 0.000 1.076 567 L CA 1.278 55.609 54.840 -0.848 0.000 0.749 567 L CB -1.024 40.585 42.059 -0.751 0.000 0.893 567 L HN 0.439 nan 8.230 nan 0.000 0.432 568 A N -1.045 121.603 122.820 -0.287 0.000 1.872 568 A HA -0.199 4.104 4.320 -0.028 0.000 0.214 568 A C 2.541 180.050 177.584 -0.125 0.000 1.187 568 A CA 1.939 53.868 52.037 -0.179 0.000 0.614 568 A CB -0.687 18.204 19.000 -0.182 0.000 0.826 568 A HN 0.347 nan 8.150 nan 0.000 0.442 569 S N -1.337 114.302 115.700 -0.102 0.000 2.357 569 S HA -0.107 4.347 4.470 -0.028 0.000 0.221 569 S C 2.007 176.615 174.600 0.012 0.000 1.031 569 S CA 2.198 60.387 58.200 -0.019 0.000 0.982 569 S CB -0.412 62.829 63.200 0.068 0.000 0.853 569 S HN 0.576 nan 8.310 nan 0.000 0.458 570 T N 1.305 115.851 114.554 -0.012 0.000 2.983 570 T HA 0.170 4.503 4.350 -0.028 0.000 0.250 570 T C 1.312 175.988 174.700 -0.040 0.000 1.037 570 T CA 0.595 62.711 62.100 0.026 0.000 1.142 570 T CB -0.107 68.863 68.868 0.171 0.000 0.876 570 T HN 0.317 nan 8.240 nan 0.000 0.455 571 E N 1.295 121.382 120.200 -0.188 0.000 2.479 571 E HA 0.168 4.501 4.350 -0.028 0.000 0.193 571 E C -0.041 176.541 176.600 -0.031 0.000 1.049 571 E CA -0.111 56.218 56.400 -0.119 0.000 0.870 571 E CB -0.424 29.142 29.700 -0.225 0.000 0.944 571 E HN 0.550 nan 8.360 nan 0.000 0.492 572 N N 0.738 119.432 118.700 -0.010 0.000 2.727 572 N HA -0.199 4.524 4.740 -0.028 0.000 0.249 572 N C -0.807 174.783 175.510 0.133 0.000 1.048 572 N CA 0.201 53.311 53.050 0.100 0.000 0.714 572 N CB -1.215 37.374 38.487 0.169 0.000 0.959 572 N HN 0.217 nan 8.380 nan 0.000 0.544 573 I N 0.892 121.471 120.570 0.015 0.000 2.359 573 I HA 0.330 4.483 4.170 -0.028 0.000 0.294 573 I C 0.641 176.744 176.117 -0.023 0.000 0.987 573 I CA -0.825 60.495 61.300 0.033 0.000 1.225 573 I CB 1.294 39.320 38.000 0.043 0.000 1.366 573 I HN 0.035 nan 8.210 nan 0.000 0.466 574 I N 6.660 127.230 120.570 -0.000 0.000 2.471 574 I HA 0.112 4.266 4.170 -0.028 0.000 0.286 574 I C 0.054 176.167 176.117 -0.008 0.000 1.079 574 I CA -0.281 60.976 61.300 -0.071 0.000 1.398 574 I CB 0.986 38.953 38.000 -0.054 0.000 1.403 574 I HN 0.328 nan 8.210 nan 0.000 0.530 575 V N 5.647 125.541 119.914 -0.033 0.000 2.357 575 V HA 0.856 4.959 4.120 -0.028 0.000 0.284 575 V C -0.015 176.118 176.094 0.064 0.000 1.018 575 V CA -0.205 62.130 62.300 0.059 0.000 0.841 575 V CB 1.136 33.001 31.823 0.070 0.000 0.991 575 V HN 0.767 nan 8.190 nan 0.000 0.437 576 A N 4.702 127.594 122.820 0.119 0.000 2.311 576 A HA 0.966 5.269 4.320 -0.028 0.000 0.334 576 A C 0.047 177.808 177.584 0.295 0.000 1.139 576 A CA -0.596 51.512 52.037 0.120 0.000 0.830 576 A CB 1.803 20.745 19.000 -0.097 0.000 1.234 576 A HN 1.152 nan 8.150 nan 0.000 0.483 577 S N -0.341 115.580 115.700 0.368 0.000 2.546 577 S HA 0.725 5.178 4.470 -0.028 0.000 0.274 577 S C -1.487 173.482 174.600 0.617 0.000 1.121 577 S CA -0.310 58.151 58.200 0.437 0.000 0.887 577 S CB 1.343 64.736 63.200 0.323 0.000 1.094 577 S HN 0.771 nan 8.310 nan 0.000 0.474 578 F N 1.806 122.001 119.950 0.409 0.000 2.569 578 F HA 0.497 5.009 4.527 -0.025 0.000 0.312 578 F C -1.567 174.445 175.800 0.353 0.000 1.109 578 F CA -0.792 57.470 58.000 0.437 0.000 0.919 578 F CB 1.530 40.750 39.000 0.367 0.000 1.211 578 F HN 0.399 nan 8.300 nan 0.000 0.446 579 D N 4.563 124.770 120.400 -0.321 0.000 2.473 579 D HA 0.376 4.999 4.640 -0.028 0.000 0.226 579 D C 0.363 176.393 176.300 -0.451 0.000 1.089 579 D CA 0.112 54.011 54.000 -0.169 0.000 0.883 579 D CB 1.446 42.310 40.800 0.107 0.000 1.029 579 D HN 0.765 nan 8.370 nan 0.000 0.517 580 G N 1.200 109.792 108.800 -0.346 0.000 2.695 580 G HA2 0.278 4.221 3.960 -0.028 0.000 0.213 580 G HA3 0.278 4.221 3.960 -0.028 0.000 0.213 580 G C 0.158 175.059 174.900 0.001 0.000 1.406 580 G CA -0.720 44.196 45.100 -0.307 0.000 1.049 580 G HN 0.285 nan 8.290 nan 0.000 0.573 581 R N -0.618 119.852 120.500 -0.049 0.000 2.585 581 R HA 0.341 4.665 4.340 -0.028 0.000 0.275 581 R C 1.280 177.673 176.300 0.154 0.000 1.018 581 R CA 1.531 57.716 56.100 0.143 0.000 1.072 581 R CB 0.361 30.730 30.300 0.115 0.000 0.953 581 R HN 1.061 nan 8.270 nan 0.000 0.419 582 G N 1.148 110.041 108.800 0.154 0.000 2.258 582 G HA2 -0.336 3.607 3.960 -0.028 0.000 0.233 582 G HA3 -0.336 3.607 3.960 -0.028 0.000 0.233 582 G C 0.181 175.118 174.900 0.061 0.000 1.006 582 G CA 0.162 45.328 45.100 0.110 0.000 0.620 582 G HN 0.753 nan 8.290 nan 0.000 0.511 583 S N 0.549 116.301 115.700 0.088 0.000 2.584 583 S HA 0.610 5.064 4.470 -0.028 0.000 0.270 583 S C 0.918 175.528 174.600 0.017 0.000 1.346 583 S CA 0.681 58.931 58.200 0.083 0.000 1.018 583 S CB 1.594 64.877 63.200 0.138 0.000 0.899 583 S HN 1.726 nan 8.310 nan 0.000 0.542 584 G N -0.637 108.142 108.800 -0.035 0.000 2.552 584 G HA2 0.503 4.446 3.960 -0.028 0.000 0.318 584 G HA3 0.503 4.446 3.960 -0.028 0.000 0.318 584 G C -0.708 174.081 174.900 -0.184 0.000 1.240 584 G CA -0.952 43.954 45.100 -0.323 0.000 1.002 584 G HN 1.064 nan 8.290 nan 0.000 0.493 585 Y N -2.476 117.837 120.300 0.023 0.000 4.881 585 Y HA -0.254 4.282 4.550 -0.023 0.000 0.241 585 Y C 1.559 177.474 175.900 0.024 0.000 0.985 585 Y CA 1.223 59.337 58.100 0.025 0.000 1.976 585 Y CB -1.660 36.827 38.460 0.044 0.000 1.528 585 Y HN 0.504 nan 8.280 nan 0.000 0.581 586 Q N 0.426 120.262 119.800 0.061 0.000 2.135 586 Q HA 0.500 4.823 4.340 -0.028 0.000 0.222 586 Q C 0.845 176.787 176.000 -0.098 0.000 0.808 586 Q CA 0.249 56.098 55.803 0.077 0.000 1.049 586 Q CB 1.739 30.517 28.738 0.067 0.000 1.168 586 Q HN 0.518 nan 8.270 nan 0.000 0.483 587 G N 0.727 109.347 108.800 -0.299 0.000 2.663 587 G HA2 -0.182 3.762 3.960 -0.028 0.000 0.686 587 G HA3 -0.182 3.762 3.960 -0.028 0.000 0.686 587 G C -0.500 174.061 174.900 -0.566 0.000 1.246 587 G CA -0.584 44.079 45.100 -0.728 0.000 0.795 587 G HN 0.105 nan 8.290 nan 0.000 0.627 588 D N 0.209 120.219 120.400 -0.651 0.000 2.178 588 D HA -0.077 4.546 4.640 -0.028 0.000 0.201 588 D C 2.289 178.303 176.300 -0.477 0.000 0.980 588 D CA 1.569 55.128 54.000 -0.735 0.000 0.842 588 D CB 0.035 40.354 40.800 -0.802 0.000 0.948 588 D HN 0.548 nan 8.370 nan 0.000 0.472 589 K N 0.866 121.051 120.400 -0.358 0.000 2.103 589 K HA -0.078 4.225 4.320 -0.028 0.000 0.207 589 K C 1.882 178.420 176.600 -0.104 0.000 1.048 589 K CA 0.986 57.160 56.287 -0.188 0.000 0.930 589 K CB -0.382 32.019 32.500 -0.165 0.000 0.716 589 K HN 0.170 nan 8.250 nan 0.000 0.444 590 I N -0.355 120.141 120.570 -0.124 0.000 2.339 590 I HA -0.117 4.036 4.170 -0.028 0.000 0.245 590 I C 2.534 178.658 176.117 0.012 0.000 1.096 590 I CA 0.945 62.249 61.300 0.007 0.000 1.408 590 I CB -0.143 37.872 38.000 0.025 0.000 1.092 590 I HN 0.252 nan 8.210 nan 0.000 0.423 591 M N 0.113 119.648 119.600 -0.109 0.000 2.086 591 M HA -0.230 4.233 4.480 -0.028 0.000 0.261 591 M C 1.992 178.352 176.300 0.100 0.000 1.067 591 M CA 1.873 57.138 55.300 -0.058 0.000 1.116 591 M CB -0.228 32.240 32.600 -0.220 0.000 1.348 591 M HN 0.248 nan 8.290 nan 0.000 0.407 592 H N -0.241 118.730 119.070 -0.165 0.000 2.547 592 H HA 0.237 4.777 4.556 -0.026 0.000 0.266 592 H C 1.805 177.157 175.328 0.040 0.000 0.988 592 H CA 0.702 56.653 56.048 -0.162 0.000 1.147 592 H CB -0.531 29.050 29.762 -0.302 0.000 1.365 592 H HN 0.473 nan 8.280 nan 0.000 0.589 593 A N 1.068 124.006 122.820 0.197 0.000 2.070 593 A HA -0.119 4.184 4.320 -0.028 0.000 0.220 593 A C 1.757 179.555 177.584 0.357 0.000 1.159 593 A CA 1.364 53.546 52.037 0.242 0.000 0.656 593 A CB -0.583 18.531 19.000 0.190 0.000 0.800 593 A HN 0.362 nan 8.150 nan 0.000 0.453 594 I N -2.442 118.297 120.570 0.282 0.000 3.928 594 I HA 0.156 4.309 4.170 -0.028 0.000 0.335 594 I C 0.355 176.543 176.117 0.118 0.000 1.325 594 I CA -1.135 60.272 61.300 0.178 0.000 1.107 594 I CB -1.305 36.770 38.000 0.124 0.000 1.014 594 I HN 0.212 nan 8.210 nan 0.000 0.400 595 N N 3.077 121.902 118.700 0.209 0.000 2.294 595 N HA -0.103 4.620 4.740 -0.028 0.000 0.263 595 N C 0.319 175.853 175.510 0.040 0.000 1.281 595 N CA 0.414 53.585 53.050 0.202 0.000 0.846 595 N CB 0.270 38.845 38.487 0.147 0.000 1.061 595 N HN 0.351 nan 8.380 nan 0.000 0.478 596 R N 0.736 121.238 120.500 0.003 0.000 4.010 596 R HA -0.167 4.156 4.340 -0.028 0.000 0.409 596 R C -0.216 175.970 176.300 -0.189 0.000 1.120 596 R CA 1.053 57.114 56.100 -0.064 0.000 1.244 596 R CB -0.757 29.522 30.300 -0.035 0.000 1.799 596 R HN 0.679 nan 8.270 nan 0.000 0.559 597 R N 0.590 120.949 120.500 -0.235 0.000 2.772 597 R HA 0.194 4.517 4.340 -0.028 0.000 0.358 597 R C -0.587 175.642 176.300 -0.120 0.000 1.143 597 R CA -0.653 55.145 56.100 -0.503 0.000 1.153 597 R CB 0.483 30.452 30.300 -0.552 0.000 1.329 597 R HN -0.114 nan 8.270 nan 0.000 0.615 598 L N 0.474 121.714 121.223 0.029 0.000 2.506 598 L HA 0.143 4.466 4.340 -0.028 0.000 0.281 598 L C 1.511 178.613 176.870 0.387 0.000 1.228 598 L CA 1.554 56.450 54.840 0.093 0.000 0.850 598 L CB 0.232 42.103 42.059 -0.313 0.000 1.110 598 L HN 0.773 nan 8.230 nan 0.000 0.496 599 G N 0.972 110.044 108.800 0.453 0.000 2.160 599 G HA2 -0.292 3.652 3.960 -0.028 0.000 0.244 599 G HA3 -0.292 3.652 3.960 -0.028 0.000 0.244 599 G C 0.530 175.534 174.900 0.173 0.000 1.022 599 G CA 0.949 46.285 45.100 0.392 0.000 0.741 599 G HN 0.938 nan 8.290 nan 0.000 0.508 600 T N -3.770 110.835 114.554 0.086 0.000 3.257 600 T HA 0.465 4.798 4.350 -0.028 0.000 0.176 600 T C 1.631 176.343 174.700 0.018 0.000 0.892 600 T CA 0.878 62.936 62.100 -0.070 0.000 1.147 600 T CB -0.001 68.625 68.868 -0.404 0.000 1.840 600 T HN 0.134 nan 8.240 nan 0.000 0.375 601 F N 3.492 123.482 119.950 0.068 0.000 2.171 601 F HA 0.077 4.587 4.527 -0.028 0.000 0.300 601 F C 2.807 178.640 175.800 0.055 0.000 1.090 601 F CA 1.167 59.195 58.000 0.046 0.000 1.293 601 F CB -0.757 38.267 39.000 0.039 0.000 1.013 601 F HN 0.517 nan 8.300 nan 0.000 0.486 602 E N 0.798 121.155 120.200 0.261 0.000 2.150 602 E HA -0.124 4.209 4.350 -0.028 0.000 0.193 602 E C 2.112 178.820 176.600 0.181 0.000 0.985 602 E CA 1.394 57.920 56.400 0.209 0.000 0.814 602 E CB -1.053 28.772 29.700 0.208 0.000 0.752 602 E HN 0.289 nan 8.360 nan 0.000 0.466 603 V N 1.715 121.716 119.914 0.145 0.000 2.323 603 V HA -0.203 3.900 4.120 -0.028 0.000 0.244 603 V C 2.352 178.487 176.094 0.068 0.000 1.041 603 V CA 2.097 64.438 62.300 0.068 0.000 1.025 603 V CB -0.569 31.251 31.823 -0.005 0.000 0.656 603 V HN 0.220 nan 8.190 nan 0.000 0.451 604 E N 0.182 120.439 120.200 0.096 0.000 2.118 604 E HA -0.248 4.085 4.350 -0.028 0.000 0.195 604 E C 1.868 178.500 176.600 0.053 0.000 0.992 604 E CA 1.552 58.002 56.400 0.083 0.000 0.804 604 E CB -0.202 29.579 29.700 0.136 0.000 0.741 604 E HN 0.582 nan 8.360 nan 0.000 0.458 605 D N 0.271 120.720 120.400 0.080 0.000 2.219 605 D HA -0.117 4.506 4.640 -0.028 0.000 0.205 605 D C 1.949 178.269 176.300 0.034 0.000 0.970 605 D CA 0.689 54.722 54.000 0.056 0.000 0.851 605 D CB -0.066 40.803 40.800 0.116 0.000 0.943 605 D HN 0.109 nan 8.370 nan 0.000 0.488 606 Q N 0.156 120.023 119.800 0.113 0.000 2.083 606 Q HA -0.012 4.311 4.340 -0.028 0.000 0.198 606 Q C 2.560 178.592 176.000 0.055 0.000 0.969 606 Q CA 0.500 56.371 55.803 0.114 0.000 0.838 606 Q CB -0.106 28.723 28.738 0.152 0.000 0.900 606 Q HN 0.409 nan 8.270 nan 0.000 0.436 607 I N 0.811 121.432 120.570 0.085 0.000 2.142 607 I HA -0.277 3.876 4.170 -0.028 0.000 0.240 607 I C 2.450 178.522 176.117 -0.074 0.000 1.078 607 I CA 1.338 62.723 61.300 0.141 0.000 1.343 607 I CB -0.256 37.819 38.000 0.126 0.000 1.046 607 I HN 0.162 nan 8.210 nan 0.000 0.405 608 E N 1.504 121.616 120.200 -0.148 0.000 2.085 608 E HA -0.228 4.105 4.350 -0.028 0.000 0.194 608 E C 2.079 178.397 176.600 -0.470 0.000 0.994 608 E CA 1.778 58.030 56.400 -0.247 0.000 0.801 608 E CB -0.212 29.367 29.700 -0.201 0.000 0.743 608 E HN 0.424 nan 8.360 nan 0.000 0.453 609 A N 0.804 123.188 122.820 -0.725 0.000 1.908 609 A HA -0.084 4.219 4.320 -0.028 0.000 0.218 609 A C 2.476 179.311 177.584 -1.248 0.000 1.181 609 A CA 2.259 53.513 52.037 -1.305 0.000 0.627 609 A CB -1.120 16.739 19.000 -1.902 0.000 0.818 609 A HN 0.411 nan 8.150 nan 0.000 0.445 610 A N -0.398 122.050 122.820 -0.620 0.000 1.933 610 A HA -0.172 4.131 4.320 -0.028 0.000 0.218 610 A C 2.247 179.613 177.584 -0.362 0.000 1.175 610 A CA 1.488 53.312 52.037 -0.355 0.000 0.628 610 A CB -0.476 18.398 19.000 -0.211 0.000 0.814 610 A HN 0.542 nan 8.150 nan 0.000 0.444 611 R N -0.890 119.397 120.500 -0.355 0.000 2.096 611 R HA -0.120 4.204 4.340 -0.028 0.000 0.235 611 R C 2.336 178.470 176.300 -0.278 0.000 1.127 611 R CA 1.362 57.299 56.100 -0.272 0.000 0.968 611 R CB -0.253 29.916 30.300 -0.217 0.000 0.861 611 R HN 0.556 nan 8.270 nan 0.000 0.440 612 Q N -0.139 119.421 119.800 -0.400 0.000 2.046 612 Q HA -0.104 4.219 4.340 -0.028 0.000 0.200 612 Q C 2.054 177.909 176.000 -0.241 0.000 0.975 612 Q CA 1.327 56.922 55.803 -0.346 0.000 0.836 612 Q CB -0.277 28.189 28.738 -0.453 0.000 0.896 612 Q HN 0.253 nan 8.270 nan 0.000 0.428 613 F N 1.589 121.360 119.950 -0.299 0.000 2.126 613 F HA -0.175 4.332 4.527 -0.033 0.000 0.299 613 F C 2.653 178.266 175.800 -0.313 0.000 1.096 613 F CA 1.366 59.179 58.000 -0.312 0.000 1.255 613 F CB -1.469 37.390 39.000 -0.236 0.000 0.997 613 F HN 0.099 nan 8.300 nan 0.000 0.479 614 S N -0.299 115.354 115.700 -0.077 0.000 2.442 614 S HA -0.148 4.305 4.470 -0.028 0.000 0.236 614 S C 1.542 176.045 174.600 -0.161 0.000 1.007 614 S CA 0.804 58.927 58.200 -0.128 0.000 0.965 614 S CB -0.569 62.555 63.200 -0.127 0.000 0.773 614 S HN 0.424 nan 8.310 nan 0.000 0.504 615 K N 0.348 120.651 120.400 -0.162 0.000 2.458 615 K HA 0.303 4.607 4.320 -0.028 0.000 0.194 615 K C 1.129 177.624 176.600 -0.176 0.000 1.024 615 K CA 0.096 56.294 56.287 -0.147 0.000 1.108 615 K CB -0.173 32.254 32.500 -0.122 0.000 0.846 615 K HN 0.475 nan 8.250 nan 0.000 0.518 616 M N -0.535 118.896 119.600 -0.281 0.000 2.595 616 M HA 0.033 4.496 4.480 -0.028 0.000 0.248 616 M C 1.186 177.224 176.300 -0.437 0.000 1.119 616 M CA 0.692 55.758 55.300 -0.390 0.000 1.079 616 M CB 0.394 32.622 32.600 -0.621 0.000 1.472 616 M HN 0.451 nan 8.290 nan 0.000 0.501 617 G N 1.087 109.686 108.800 -0.336 0.000 2.268 617 G HA2 -0.312 3.631 3.960 -0.028 0.000 0.240 617 G HA3 -0.312 3.631 3.960 -0.028 0.000 0.240 617 G C 0.532 175.391 174.900 -0.069 0.000 1.010 617 G CA 0.412 45.415 45.100 -0.162 0.000 0.618 617 G HN 0.632 nan 8.290 nan 0.000 0.516 618 F N 0.563 120.567 119.950 0.090 0.000 2.639 618 F HA 0.774 5.282 4.527 -0.032 0.000 0.300 618 F C 0.179 176.090 175.800 0.185 0.000 1.109 618 F CA -0.878 57.209 58.000 0.145 0.000 1.335 618 F CB 0.376 39.514 39.000 0.230 0.000 1.014 618 F HN 0.073 nan 8.300 nan 0.000 0.537 619 V N 1.300 121.274 119.914 0.100 0.000 2.459 619 V HA 0.185 4.288 4.120 -0.028 0.000 0.295 619 V C -0.704 175.400 176.094 0.018 0.000 1.029 619 V CA -0.800 61.564 62.300 0.107 0.000 0.874 619 V CB 1.636 33.460 31.823 0.000 0.000 0.985 619 V HN 0.099 nan 8.190 nan 0.000 0.438 620 D N 3.473 123.871 120.400 -0.004 0.000 2.352 620 D HA 0.056 4.680 4.640 -0.028 0.000 0.245 620 D C 1.088 177.340 176.300 -0.080 0.000 1.224 620 D CA -0.256 53.706 54.000 -0.064 0.000 0.879 620 D CB 0.706 41.441 40.800 -0.109 0.000 1.057 620 D HN 0.668 nan 8.370 nan 0.000 0.491 621 N N 3.059 121.715 118.700 -0.074 0.000 2.571 621 N HA -0.120 4.604 4.740 -0.028 0.000 0.189 621 N C 0.687 176.154 175.510 -0.073 0.000 1.154 621 N CA 0.705 53.704 53.050 -0.084 0.000 0.907 621 N CB 0.021 38.452 38.487 -0.093 0.000 0.977 621 N HN 0.323 nan 8.380 nan 0.000 0.449 622 K N -0.286 120.079 120.400 -0.058 0.000 2.393 622 K HA 0.192 4.495 4.320 -0.028 0.000 0.193 622 K C 0.117 176.714 176.600 -0.004 0.000 1.026 622 K CA 0.104 56.374 56.287 -0.028 0.000 1.064 622 K CB 0.465 32.951 32.500 -0.024 0.000 0.833 622 K HN 0.184 nan 8.250 nan 0.000 0.521 623 R N 1.343 121.807 120.500 -0.060 0.000 2.835 623 R HA 0.356 4.679 4.340 -0.028 0.000 0.290 623 R C -0.863 175.376 176.300 -0.101 0.000 1.410 623 R CA -0.126 55.913 56.100 -0.101 0.000 1.590 623 R CB 0.560 30.603 30.300 -0.429 0.000 1.288 623 R HN -0.009 nan 8.270 nan 0.000 0.637 624 I N 1.060 121.702 120.570 0.119 0.000 2.378 624 I HA 0.546 4.699 4.170 -0.028 0.000 0.291 624 I C 0.096 176.491 176.117 0.463 0.000 0.992 624 I CA -0.705 60.704 61.300 0.182 0.000 1.154 624 I CB 1.845 39.788 38.000 -0.095 0.000 1.315 624 I HN 0.272 nan 8.210 nan 0.000 0.448 625 A N 7.117 130.331 122.820 0.657 0.000 2.387 625 A HA 0.933 5.236 4.320 -0.028 0.000 0.298 625 A C -1.104 176.873 177.584 0.655 0.000 1.165 625 A CA -0.666 51.750 52.037 0.632 0.000 0.814 625 A CB 2.200 21.450 19.000 0.418 0.000 1.357 625 A HN 0.727 nan 8.150 nan 0.000 0.443 626 I N 0.022 120.877 120.570 0.474 0.000 2.752 626 I HA 0.681 4.834 4.170 -0.028 0.000 0.295 626 I C -2.047 174.331 176.117 0.434 0.000 1.219 626 I CA -0.563 60.945 61.300 0.347 0.000 1.030 626 I CB 1.747 39.665 38.000 -0.137 0.000 1.259 626 I HN 0.956 nan 8.210 nan 0.000 0.423 627 W N 6.891 128.325 121.300 0.224 0.000 3.137 627 W HA 0.846 5.489 4.660 -0.029 0.000 0.324 627 W C -1.495 175.177 176.519 0.256 0.000 1.253 627 W CA -0.939 56.546 57.345 0.233 0.000 1.183 627 W CB 1.041 30.687 29.460 0.311 0.000 1.424 627 W HN 0.847 nan 8.180 nan 0.000 0.566 628 G N 0.791 109.493 108.800 -0.163 0.000 2.547 628 G HA2 0.462 4.405 3.960 -0.028 0.000 0.291 628 G HA3 0.462 4.405 3.960 -0.028 0.000 0.291 628 G C -2.829 172.026 174.900 -0.075 0.000 1.471 628 G CA -0.750 44.123 45.100 -0.378 0.000 0.798 628 G HN 0.620 nan 8.290 nan 0.000 0.504 629 W N 1.098 122.294 121.300 -0.172 0.000 2.702 629 W HA 0.604 5.247 4.660 -0.027 0.000 0.331 629 W C 0.696 177.287 176.519 0.120 0.000 1.049 629 W CA 0.402 57.735 57.345 -0.021 0.000 1.230 629 W CB 1.798 31.246 29.460 -0.020 0.000 1.408 629 W HN 1.240 nan 8.180 nan 0.000 0.492 630 S N 2.834 118.773 115.700 0.399 0.000 4.142 630 S HA -0.411 4.042 4.470 -0.028 0.000 0.624 630 S C 1.113 175.826 174.600 0.188 0.000 1.892 630 S CA 1.605 60.064 58.200 0.432 0.000 4.236 630 S CB -1.866 61.793 63.200 0.766 0.000 0.204 630 S HN 0.729 nan 8.310 nan 0.000 0.486 631 Y N 2.173 122.494 120.300 0.035 0.000 2.256 631 Y HA -0.013 4.522 4.550 -0.025 0.000 0.288 631 Y C 2.322 178.163 175.900 -0.099 0.000 1.155 631 Y CA 2.518 60.534 58.100 -0.140 0.000 1.203 631 Y CB -0.893 37.276 38.460 -0.485 0.000 0.980 631 Y HN 0.525 nan 8.280 nan 0.000 0.530 632 G N -1.059 107.793 108.800 0.087 0.000 2.422 632 G HA2 -0.206 3.738 3.960 -0.028 0.000 0.218 632 G HA3 -0.206 3.738 3.960 -0.028 0.000 0.218 632 G C 1.866 176.806 174.900 0.068 0.000 1.140 632 G CA 0.672 45.838 45.100 0.109 0.000 0.775 632 G HN 0.554 nan 8.290 nan 0.000 0.545 633 G N -0.143 108.704 108.800 0.078 0.000 2.408 633 G HA2 -0.231 3.712 3.960 -0.028 0.000 0.217 633 G HA3 -0.231 3.712 3.960 -0.028 0.000 0.217 633 G C 1.554 176.477 174.900 0.040 0.000 1.150 633 G CA 1.016 46.143 45.100 0.045 0.000 0.776 633 G HN 0.479 nan 8.290 nan 0.000 0.542 634 Y N 0.992 121.197 120.300 -0.159 0.000 2.114 634 Y HA -0.154 4.379 4.550 -0.029 0.000 0.284 634 Y C 2.813 178.614 175.900 -0.165 0.000 1.143 634 Y CA 1.832 59.780 58.100 -0.252 0.000 1.135 634 Y CB -0.185 37.962 38.460 -0.523 0.000 0.980 634 Y HN 0.031 nan 8.280 nan 0.000 0.499 635 V N -0.193 119.597 119.914 -0.207 0.000 2.343 635 V HA -0.307 3.796 4.120 -0.028 0.000 0.247 635 V C 2.286 178.268 176.094 -0.187 0.000 1.051 635 V CA 2.342 64.512 62.300 -0.216 0.000 1.036 635 V CB -1.067 30.781 31.823 0.042 0.000 0.654 635 V HN 0.507 nan 8.190 nan 0.000 0.451 636 T N -0.018 114.480 114.554 -0.092 0.000 2.720 636 T HA -0.199 4.134 4.350 -0.028 0.000 0.268 636 T C 2.136 176.769 174.700 -0.112 0.000 1.037 636 T CA 2.061 64.116 62.100 -0.075 0.000 1.144 636 T CB -0.246 68.657 68.868 0.058 0.000 0.864 636 T HN 0.538 nan 8.240 nan 0.000 0.444 637 S N 1.025 116.688 115.700 -0.062 0.000 2.368 637 S HA 0.012 4.466 4.470 -0.028 0.000 0.224 637 S C 2.133 176.630 174.600 -0.171 0.000 1.029 637 S CA 0.872 59.058 58.200 -0.023 0.000 0.988 637 S CB -0.251 63.001 63.200 0.087 0.000 0.838 637 S HN 0.331 nan 8.310 nan 0.000 0.462 638 M N 0.998 120.410 119.600 -0.313 0.000 2.159 638 M HA -0.018 4.445 4.480 -0.028 0.000 0.263 638 M C 2.183 178.319 176.300 -0.273 0.000 1.063 638 M CA 1.007 56.110 55.300 -0.328 0.000 1.110 638 M CB -1.369 30.924 32.600 -0.512 0.000 1.374 638 M HN 0.175 nan 8.290 nan 0.000 0.411 639 V N 0.695 120.435 119.914 -0.290 0.000 2.307 639 V HA -0.235 3.868 4.120 -0.028 0.000 0.245 639 V C 2.520 178.407 176.094 -0.344 0.000 1.045 639 V CA 1.402 63.527 62.300 -0.292 0.000 1.024 639 V CB -0.613 30.966 31.823 -0.407 0.000 0.651 639 V HN 0.392 nan 8.190 nan 0.000 0.449 640 L N 0.452 121.399 121.223 -0.461 0.000 2.131 640 L HA -0.076 4.247 4.340 -0.028 0.000 0.210 640 L C 2.307 178.642 176.870 -0.891 0.000 1.092 640 L CA 1.584 56.048 54.840 -0.627 0.000 0.759 640 L CB -0.838 40.769 42.059 -0.753 0.000 0.903 640 L HN 0.491 nan 8.230 nan 0.000 0.435 641 G N -1.207 107.089 108.800 -0.840 0.000 3.026 641 G HA2 -0.089 3.854 3.960 -0.028 0.000 0.208 641 G HA3 -0.089 3.854 3.960 -0.028 0.000 0.208 641 G C 1.565 176.326 174.900 -0.231 0.000 1.169 641 G CA 0.634 45.414 45.100 -0.532 0.000 0.788 641 G HN 0.457 nan 8.290 nan 0.000 0.533 642 S N -0.664 114.907 115.700 -0.214 0.000 2.496 642 S HA 0.295 4.748 4.470 -0.028 0.000 0.224 642 S C 1.990 176.550 174.600 -0.067 0.000 0.996 642 S CA 1.077 59.213 58.200 -0.106 0.000 0.927 642 S CB -0.140 63.014 63.200 -0.077 0.000 0.774 642 S HN 1.359 nan 8.310 nan 0.000 0.524 643 G N 1.365 110.116 108.800 -0.081 0.000 2.148 643 G HA2 -0.355 3.589 3.960 -0.028 0.000 0.254 643 G HA3 -0.355 3.589 3.960 -0.028 0.000 0.254 643 G C 1.024 175.915 174.900 -0.014 0.000 0.981 643 G CA 1.022 46.097 45.100 -0.042 0.000 0.670 643 G HN 1.337 nan 8.290 nan 0.000 0.528 644 S N -0.421 115.280 115.700 0.003 0.000 2.419 644 S HA 0.257 4.711 4.470 -0.028 0.000 0.233 644 S C 2.578 177.187 174.600 0.015 0.000 1.016 644 S CA 1.745 59.959 58.200 0.024 0.000 0.974 644 S CB -0.390 62.855 63.200 0.075 0.000 0.786 644 S HN 2.440 nan 8.310 nan 0.000 0.492 645 G N -0.198 108.618 108.800 0.025 0.000 2.162 645 G HA2 -0.267 3.677 3.960 -0.028 0.000 0.260 645 G HA3 -0.267 3.677 3.960 -0.028 0.000 0.260 645 G C 0.683 175.577 174.900 -0.010 0.000 0.976 645 G CA 0.418 45.525 45.100 0.011 0.000 0.655 645 G HN 0.703 nan 8.290 nan 0.000 0.533 646 V N -0.756 119.149 119.914 -0.016 0.000 2.725 646 V HA 0.323 4.426 4.120 -0.028 0.000 0.247 646 V C 1.088 176.979 176.094 -0.338 0.000 1.058 646 V CA 1.264 63.431 62.300 -0.222 0.000 1.080 646 V CB -0.239 31.363 31.823 -0.368 0.000 0.713 646 V HN 0.293 nan 8.190 nan 0.000 0.465 647 F N -0.042 119.920 119.950 0.020 0.000 2.443 647 F HA 0.398 4.906 4.527 -0.030 0.000 0.335 647 F C 1.105 176.948 175.800 0.072 0.000 1.104 647 F CA -0.510 57.529 58.000 0.065 0.000 1.013 647 F CB 1.465 40.503 39.000 0.064 0.000 1.136 647 F HN -0.253 nan 8.300 nan 0.000 0.470 648 K N 1.571 122.134 120.400 0.271 0.000 2.076 648 K HA 0.074 4.377 4.320 -0.028 0.000 0.204 648 K C -0.086 176.647 176.600 0.221 0.000 1.051 648 K CA 1.030 57.441 56.287 0.206 0.000 0.949 648 K CB 0.231 32.858 32.500 0.211 0.000 0.726 648 K HN 0.800 nan 8.250 nan 0.000 0.443 649 c N -2.980 115.793 118.600 0.288 0.000 3.321 649 c HA 0.890 5.443 4.570 -0.028 0.000 0.329 649 c C -0.236 174.088 174.090 0.389 0.000 1.394 649 c CA -0.634 55.885 56.329 0.317 0.000 1.291 649 c CB 1.103 43.729 42.510 0.194 0.000 1.606 649 c HN 0.363 nan 8.230 nan 0.000 0.463 650 G N -0.110 108.988 108.800 0.497 0.000 2.646 650 G HA2 0.716 4.660 3.960 -0.028 0.000 0.291 650 G HA3 0.716 4.660 3.960 -0.028 0.000 0.291 650 G C -1.997 173.124 174.900 0.367 0.000 1.445 650 G CA -0.708 44.651 45.100 0.433 0.000 0.814 650 G HN 1.005 nan 8.290 nan 0.000 0.495 651 I N 0.749 121.502 120.570 0.305 0.000 2.466 651 I HA 0.609 4.762 4.170 -0.028 0.000 0.289 651 I C 0.139 176.370 176.117 0.190 0.000 1.026 651 I CA -0.967 60.390 61.300 0.095 0.000 1.078 651 I CB 2.156 40.211 38.000 0.091 0.000 1.249 651 I HN 0.648 nan 8.210 nan 0.000 0.429 652 A N 6.523 129.351 122.820 0.013 0.000 2.303 652 A HA 0.787 5.090 4.320 -0.028 0.000 0.320 652 A C -0.735 176.762 177.584 -0.145 0.000 1.192 652 A CA -0.509 51.545 52.037 0.029 0.000 0.821 652 A CB 1.229 20.314 19.000 0.141 0.000 1.188 652 A HN 0.445 nan 8.150 nan 0.000 0.492 653 V N 2.065 121.846 119.914 -0.222 0.000 2.417 653 V HA 0.568 4.671 4.120 -0.028 0.000 0.291 653 V C 0.977 176.663 176.094 -0.679 0.000 1.024 653 V CA 0.274 62.218 62.300 -0.593 0.000 0.861 653 V CB 0.926 32.096 31.823 -1.089 0.000 0.985 653 V HN 2.072 nan 8.190 nan 0.000 0.436 654 A N 5.605 127.981 122.820 -0.740 0.000 2.462 654 A HA -0.111 4.192 4.320 -0.028 0.000 0.294 654 A C -1.701 175.724 177.584 -0.266 0.000 1.461 654 A CA 0.411 51.915 52.037 -0.887 0.000 0.765 654 A CB -1.570 16.988 19.000 -0.736 0.000 1.071 654 A HN 0.621 nan 8.150 nan 0.000 0.401 655 P HA 0.370 nan 4.420 nan 0.000 0.278 655 P C 0.220 177.494 177.300 -0.043 0.000 1.238 655 P CA -0.128 62.956 63.100 -0.027 0.000 0.794 655 P CB 1.229 32.937 31.700 0.014 0.000 0.955 656 V N 2.593 122.377 119.914 -0.216 0.000 2.686 656 V HA 0.045 4.148 4.120 -0.028 0.000 0.295 656 V C 1.764 177.667 176.094 -0.319 0.000 1.055 656 V CA 1.004 63.033 62.300 -0.452 0.000 1.050 656 V CB 0.736 31.887 31.823 -1.119 0.000 0.984 656 V HN 0.822 nan 8.190 nan 0.000 0.482 657 S N 3.969 119.521 115.700 -0.247 0.000 2.554 657 S HA 0.244 4.697 4.470 -0.028 0.000 0.227 657 S C 0.501 174.946 174.600 -0.258 0.000 1.050 657 S CA -0.321 57.802 58.200 -0.128 0.000 0.927 657 S CB 0.287 63.470 63.200 -0.029 0.000 0.859 657 S HN 0.828 nan 8.310 nan 0.000 0.494 658 R N -1.061 119.164 120.500 -0.457 0.000 2.536 658 R HA 0.297 4.620 4.340 -0.028 0.000 0.269 658 R C -1.070 174.910 176.300 -0.534 0.000 1.113 658 R CA -0.783 54.981 56.100 -0.560 0.000 0.948 658 R CB -0.116 29.866 30.300 -0.531 0.000 1.237 658 R HN 0.183 nan 8.270 nan 0.000 0.441 659 W N 1.886 123.091 121.300 -0.157 0.000 2.421 659 W HA -0.029 4.614 4.660 -0.029 0.000 0.270 659 W C 1.340 178.002 176.519 0.238 0.000 1.233 659 W CA 0.813 58.157 57.345 -0.003 0.000 1.226 659 W CB 0.233 29.577 29.460 -0.194 0.000 1.121 659 W HN 0.728 nan 8.180 nan 0.000 0.579 660 E N -0.902 119.494 120.200 0.327 0.000 2.333 660 E HA -0.204 4.130 4.350 -0.028 0.000 0.198 660 E C 1.360 178.112 176.600 0.254 0.000 1.007 660 E CA 0.917 57.440 56.400 0.205 0.000 0.845 660 E CB -0.231 29.468 29.700 -0.001 0.000 0.766 660 E HN 0.367 nan 8.360 nan 0.000 0.507 661 Y N -1.504 118.896 120.300 0.167 0.000 2.517 661 Y HA 0.046 4.579 4.550 -0.028 0.000 0.281 661 Y C 0.681 176.688 175.900 0.179 0.000 1.125 661 Y CA -0.246 57.922 58.100 0.113 0.000 1.283 661 Y CB -0.423 38.047 38.460 0.017 0.000 1.042 661 Y HN 0.013 nan 8.280 nan 0.000 0.547 662 Y N 2.028 122.488 120.300 0.267 0.000 2.326 662 Y HA 0.262 4.795 4.550 -0.028 0.000 0.324 662 Y C 0.368 176.487 175.900 0.366 0.000 1.291 662 Y CA -2.098 56.166 58.100 0.274 0.000 1.348 662 Y CB 0.342 38.997 38.460 0.326 0.000 1.294 662 Y HN 0.208 nan 8.280 nan 0.000 0.525 663 D N -0.353 119.760 120.400 -0.478 0.000 2.423 663 D HA 0.051 4.675 4.640 -0.028 0.000 0.238 663 D C 0.913 177.179 176.300 -0.057 0.000 1.142 663 D CA 0.471 54.254 54.000 -0.362 0.000 0.884 663 D CB 0.862 41.219 40.800 -0.737 0.000 1.199 663 D HN 0.482 nan 8.370 nan 0.000 0.438 664 S N 1.392 117.072 115.700 -0.034 0.000 2.368 664 S HA -0.210 4.243 4.470 -0.028 0.000 0.225 664 S C 1.867 176.489 174.600 0.037 0.000 1.030 664 S CA 1.067 59.303 58.200 0.060 0.000 0.999 664 S CB -0.858 62.382 63.200 0.067 0.000 0.844 664 S HN 0.440 nan 8.310 nan 0.000 0.459 665 V N 0.774 120.649 119.914 -0.066 0.000 2.295 665 V HA -0.149 3.954 4.120 -0.028 0.000 0.246 665 V C 2.291 178.300 176.094 -0.141 0.000 1.049 665 V CA 2.115 64.296 62.300 -0.197 0.000 1.024 665 V CB -1.060 30.497 31.823 -0.443 0.000 0.648 665 V HN 0.604 nan 8.190 nan 0.000 0.447 666 Y N 1.201 121.430 120.300 -0.117 0.000 2.163 666 Y HA -0.225 4.307 4.550 -0.029 0.000 0.288 666 Y C 2.705 178.583 175.900 -0.036 0.000 1.136 666 Y CA 2.298 60.398 58.100 -0.000 0.000 1.147 666 Y CB -0.406 38.251 38.460 0.328 0.000 0.987 666 Y HN 0.204 nan 8.280 nan 0.000 0.509 667 T N 0.367 115.117 114.554 0.327 0.000 2.674 667 T HA -0.187 4.146 4.350 -0.028 0.000 0.265 667 T C 1.517 176.188 174.700 -0.048 0.000 1.039 667 T CA 1.939 64.179 62.100 0.234 0.000 1.150 667 T CB -0.278 68.872 68.868 0.470 0.000 0.864 667 T HN 0.442 nan 8.240 nan 0.000 0.427 668 E N 0.590 120.789 120.200 -0.001 0.000 2.204 668 E HA -0.067 4.266 4.350 -0.028 0.000 0.194 668 E C 2.314 178.802 176.600 -0.187 0.000 0.989 668 E CA 0.352 56.747 56.400 -0.009 0.000 0.824 668 E CB -0.108 29.635 29.700 0.070 0.000 0.756 668 E HN 0.324 nan 8.360 nan 0.000 0.477 669 R N 0.254 120.491 120.500 -0.439 0.000 2.117 669 R HA -0.203 4.120 4.340 -0.028 0.000 0.243 669 R C 1.122 176.918 176.300 -0.841 0.000 1.143 669 R CA 1.655 57.313 56.100 -0.738 0.000 0.968 669 R CB -0.006 29.509 30.300 -1.309 0.000 0.863 669 R HN 0.260 nan 8.270 nan 0.000 0.444 670 Y N -2.358 117.638 120.300 -0.505 0.000 2.462 670 Y HA 0.246 4.780 4.550 -0.027 0.000 0.253 670 Y C 1.616 177.322 175.900 -0.323 0.000 1.095 670 Y CA -0.081 57.707 58.100 -0.520 0.000 1.283 670 Y CB 0.519 38.526 38.460 -0.754 0.000 1.138 670 Y HN -0.048 nan 8.280 nan 0.000 0.522 671 M N -0.462 119.026 119.600 -0.186 0.000 2.292 671 M HA 0.374 4.837 4.480 -0.028 0.000 0.286 671 M C 1.090 177.409 176.300 0.031 0.000 1.002 671 M CA 0.737 55.926 55.300 -0.185 0.000 1.029 671 M CB -0.103 32.184 32.600 -0.521 0.000 1.537 671 M HN 0.344 nan 8.290 nan 0.000 0.543 672 G N 1.942 110.774 108.800 0.054 0.000 2.601 672 G HA2 -0.220 3.724 3.960 -0.028 0.000 0.252 672 G HA3 -0.220 3.724 3.960 -0.028 0.000 0.252 672 G C -0.705 174.330 174.900 0.226 0.000 1.294 672 G CA -0.722 44.447 45.100 0.115 0.000 0.912 672 G HN 0.242 nan 8.290 nan 0.000 0.574 673 L N 2.493 123.819 121.223 0.172 0.000 2.343 673 L HA 0.556 4.879 4.340 -0.028 0.000 0.275 673 L C -1.487 175.381 176.870 -0.003 0.000 1.056 673 L CA -2.139 52.755 54.840 0.090 0.000 0.804 673 L CB 1.238 43.311 42.059 0.025 0.000 1.203 673 L HN 0.426 nan 8.230 nan 0.000 0.440 674 P HA 0.142 nan 4.420 nan 0.000 0.225 674 P C -0.810 176.342 177.300 -0.246 0.000 1.813 674 P CA -0.128 62.571 63.100 -0.668 0.000 1.013 674 P CB -0.395 30.599 31.700 -1.177 0.000 1.961 675 T N -2.271 112.226 114.554 -0.094 0.000 2.906 675 T HA 0.469 4.803 4.350 -0.028 0.000 0.295 675 T C -2.359 172.337 174.700 -0.006 0.000 1.061 675 T CA -2.506 59.566 62.100 -0.047 0.000 1.000 675 T CB 1.764 70.614 68.868 -0.031 0.000 1.103 675 T HN -0.297 nan 8.240 nan 0.000 0.486 676 P HA -0.168 nan 4.420 nan 0.000 0.217 676 P C 1.411 178.723 177.300 0.019 0.000 1.151 676 P CA 1.164 64.271 63.100 0.012 0.000 0.849 676 P CB 0.100 31.804 31.700 0.006 0.000 0.787 677 E N -1.544 118.664 120.200 0.013 0.000 2.481 677 E HA -0.075 4.258 4.350 -0.028 0.000 0.195 677 E C 0.999 177.614 176.600 0.025 0.000 1.047 677 E CA 0.782 57.192 56.400 0.016 0.000 0.867 677 E CB -0.323 29.382 29.700 0.008 0.000 0.858 677 E HN 0.277 nan 8.360 nan 0.000 0.513 678 D N 0.971 121.392 120.400 0.036 0.000 3.012 678 D HA 0.023 4.646 4.640 -0.028 0.000 0.230 678 D C 0.407 176.759 176.300 0.087 0.000 1.477 678 D CA 0.097 54.130 54.000 0.055 0.000 1.329 678 D CB 0.000 40.835 40.800 0.058 0.000 0.951 678 D HN 0.027 nan 8.370 nan 0.000 0.224 679 N N -0.108 118.675 118.700 0.137 0.000 2.305 679 N HA 0.090 4.813 4.740 -0.028 0.000 0.248 679 N C 1.025 176.720 175.510 0.307 0.000 1.290 679 N CA -0.090 53.090 53.050 0.216 0.000 0.873 679 N CB 0.289 38.928 38.487 0.254 0.000 1.261 679 N HN 0.090 nan 8.380 nan 0.000 0.504 680 L N 0.652 121.981 121.223 0.176 0.000 2.013 680 L HA -0.143 4.180 4.340 -0.028 0.000 0.212 680 L C 1.250 178.225 176.870 0.176 0.000 1.073 680 L CA 2.045 56.962 54.840 0.129 0.000 0.753 680 L CB -0.530 41.544 42.059 0.025 0.000 0.890 680 L HN 0.132 nan 8.230 nan 0.000 0.432 681 D N -1.292 119.193 120.400 0.142 0.000 2.106 681 D HA -0.276 4.347 4.640 -0.028 0.000 0.191 681 D C 2.137 178.533 176.300 0.160 0.000 0.997 681 D CA 1.916 55.991 54.000 0.125 0.000 0.834 681 D CB -0.285 40.577 40.800 0.103 0.000 0.956 681 D HN 0.594 nan 8.370 nan 0.000 0.448 682 H N -0.926 118.207 119.070 0.105 0.000 2.423 682 H HA -0.076 4.463 4.556 -0.028 0.000 0.297 682 H C 1.752 177.147 175.328 0.112 0.000 1.075 682 H CA 1.250 57.342 56.048 0.073 0.000 1.342 682 H CB -0.337 29.432 29.762 0.010 0.000 1.395 682 H HN 0.199 nan 8.280 nan 0.000 0.530 683 Y N 0.019 120.308 120.300 -0.018 0.000 2.224 683 Y HA -0.166 4.368 4.550 -0.027 0.000 0.289 683 Y C 2.275 178.133 175.900 -0.071 0.000 1.146 683 Y CA 1.271 59.359 58.100 -0.021 0.000 1.182 683 Y CB 0.181 38.661 38.460 0.033 0.000 0.983 683 Y HN 0.112 nan 8.280 nan 0.000 0.524 684 R N -0.360 120.207 120.500 0.111 0.000 2.200 684 R HA -0.036 4.287 4.340 -0.028 0.000 0.208 684 R C 1.408 177.700 176.300 -0.014 0.000 1.033 684 R CA 0.521 56.642 56.100 0.036 0.000 1.000 684 R CB -0.593 29.731 30.300 0.039 0.000 0.906 684 R HN 0.411 nan 8.270 nan 0.000 0.462 685 N N 0.603 119.271 118.700 -0.053 0.000 2.424 685 N HA -0.043 4.680 4.740 -0.028 0.000 0.178 685 N C 0.295 175.736 175.510 -0.114 0.000 1.060 685 N CA 0.568 53.584 53.050 -0.057 0.000 0.901 685 N CB 0.424 38.919 38.487 0.012 0.000 0.979 685 N HN 0.109 nan 8.380 nan 0.000 0.451 686 S N -0.372 115.200 115.700 -0.213 0.000 2.573 686 S HA 0.069 4.523 4.470 -0.028 0.000 0.244 686 S C 0.576 175.203 174.600 0.045 0.000 0.984 686 S CA -0.723 57.409 58.200 -0.112 0.000 1.001 686 S CB -0.249 62.807 63.200 -0.240 0.000 0.788 686 S HN 0.172 nan 8.310 nan 0.000 0.456 687 T N -1.273 113.271 114.554 -0.018 0.000 2.909 687 T HA 0.457 4.790 4.350 -0.028 0.000 0.289 687 T C 1.360 176.045 174.700 -0.025 0.000 1.005 687 T CA -0.182 61.899 62.100 -0.032 0.000 1.084 687 T CB 1.522 70.341 68.868 -0.082 0.000 0.975 687 T HN 0.381 nan 8.240 nan 0.000 0.509 688 V N 2.587 122.483 119.914 -0.030 0.000 2.515 688 V HA -0.082 4.021 4.120 -0.028 0.000 0.250 688 V C 2.238 178.288 176.094 -0.074 0.000 1.058 688 V CA 1.628 63.894 62.300 -0.056 0.000 1.064 688 V CB -1.143 30.642 31.823 -0.064 0.000 0.675 688 V HN 0.875 nan 8.190 nan 0.000 0.461 689 M N 2.327 121.872 119.600 -0.091 0.000 2.144 689 M HA -0.148 4.315 4.480 -0.028 0.000 0.260 689 M C 2.398 178.658 176.300 -0.067 0.000 1.067 689 M CA 2.412 57.651 55.300 -0.101 0.000 1.095 689 M CB -0.994 31.562 32.600 -0.073 0.000 1.365 689 M HN 0.757 nan 8.290 nan 0.000 0.406 690 S N -0.453 115.221 115.700 -0.042 0.000 2.507 690 S HA -0.066 4.387 4.470 -0.028 0.000 0.235 690 S C 1.672 176.271 174.600 -0.002 0.000 0.988 690 S CA 0.664 58.852 58.200 -0.021 0.000 0.944 690 S CB -0.409 62.780 63.200 -0.018 0.000 0.762 690 S HN 0.552 nan 8.310 nan 0.000 0.526 691 R N 0.148 120.656 120.500 0.015 0.000 2.509 691 R HA 0.471 4.794 4.340 -0.028 0.000 0.300 691 R C 2.079 178.473 176.300 0.156 0.000 0.985 691 R CA 0.400 56.540 56.100 0.066 0.000 1.092 691 R CB -0.102 30.234 30.300 0.061 0.000 1.237 691 R HN 0.435 nan 8.270 nan 0.000 0.546 692 A N 1.749 124.600 122.820 0.052 0.000 1.884 692 A HA -0.316 3.987 4.320 -0.028 0.000 0.219 692 A C 2.047 179.698 177.584 0.112 0.000 1.197 692 A CA 2.115 54.147 52.037 -0.009 0.000 0.637 692 A CB -0.337 18.603 19.000 -0.099 0.000 0.827 692 A HN 0.320 nan 8.150 nan 0.000 0.450 693 E N 0.312 120.557 120.200 0.076 0.000 2.130 693 E HA -0.202 4.131 4.350 -0.028 0.000 0.196 693 E C 1.638 178.298 176.600 0.099 0.000 0.998 693 E CA 1.703 58.148 56.400 0.075 0.000 0.806 693 E CB -0.245 29.482 29.700 0.045 0.000 0.738 693 E HN 0.601 nan 8.360 nan 0.000 0.459 694 N N -0.449 118.310 118.700 0.097 0.000 2.453 694 N HA -0.112 4.611 4.740 -0.028 0.000 0.183 694 N C 0.856 176.369 175.510 0.005 0.000 1.041 694 N CA 0.546 53.614 53.050 0.029 0.000 0.900 694 N CB -0.271 38.192 38.487 -0.040 0.000 0.961 694 N HN 0.220 nan 8.380 nan 0.000 0.443 695 F N 1.379 121.282 119.950 -0.078 0.000 2.641 695 F HA -0.002 4.508 4.527 -0.028 0.000 0.298 695 F C 1.901 177.703 175.800 0.003 0.000 1.146 695 F CA 0.652 58.602 58.000 -0.083 0.000 1.464 695 F CB -0.049 38.854 39.000 -0.162 0.000 1.101 695 F HN -0.035 nan 8.300 nan 0.000 0.585 696 K N -0.134 120.362 120.400 0.160 0.000 2.362 696 K HA -0.156 4.147 4.320 -0.028 0.000 0.200 696 K C 1.534 178.191 176.600 0.095 0.000 1.046 696 K CA 0.955 57.319 56.287 0.127 0.000 0.952 696 K CB -0.137 32.419 32.500 0.093 0.000 0.753 696 K HN 0.415 nan 8.250 nan 0.000 0.466 697 Q N 0.194 120.028 119.800 0.056 0.000 2.360 697 Q HA 0.033 4.356 4.340 -0.028 0.000 0.202 697 Q C 0.300 176.332 176.000 0.053 0.000 0.915 697 Q CA 0.060 55.887 55.803 0.040 0.000 0.943 697 Q CB 0.603 29.347 28.738 0.010 0.000 1.064 697 Q HN 0.122 nan 8.270 nan 0.000 0.511 698 V N -3.220 116.737 119.914 0.073 0.000 3.167 698 V HA 0.510 4.613 4.120 -0.028 0.000 0.310 698 V C -1.344 174.881 176.094 0.218 0.000 1.207 698 V CA -1.356 61.011 62.300 0.112 0.000 1.059 698 V CB 2.329 34.172 31.823 0.033 0.000 1.079 698 V HN -0.072 nan 8.190 nan 0.000 0.446 699 E N 1.176 121.539 120.200 0.272 0.000 2.134 699 E HA 0.516 4.849 4.350 -0.028 0.000 0.278 699 E C -1.857 175.118 176.600 0.625 0.000 0.959 699 E CA -0.323 56.313 56.400 0.394 0.000 0.783 699 E CB 1.693 31.546 29.700 0.254 0.000 1.095 699 E HN 0.661 nan 8.360 nan 0.000 0.399 700 Y N 3.364 123.935 120.300 0.451 0.000 2.376 700 Y HA 0.501 5.034 4.550 -0.029 0.000 0.340 700 Y C -1.652 174.344 175.900 0.160 0.000 0.965 700 Y CA -1.584 56.721 58.100 0.341 0.000 1.078 700 Y CB 1.058 39.762 38.460 0.407 0.000 1.193 700 Y HN 0.425 nan 8.280 nan 0.000 0.452 701 L N 7.502 128.447 121.223 -0.463 0.000 2.325 701 L HA 0.627 4.951 4.340 -0.028 0.000 0.281 701 L C -2.156 174.283 176.870 -0.718 0.000 1.004 701 L CA -0.819 53.619 54.840 -0.671 0.000 0.823 701 L CB 1.403 42.741 42.059 -1.201 0.000 1.236 701 L HN 0.623 nan 8.230 nan 0.000 0.415 702 L N 6.594 127.500 121.223 -0.529 0.000 2.325 702 L HA 0.707 5.030 4.340 -0.028 0.000 0.281 702 L C -1.235 175.523 176.870 -0.187 0.000 1.004 702 L CA -0.041 54.523 54.840 -0.461 0.000 0.823 702 L CB 1.291 43.079 42.059 -0.453 0.000 1.236 702 L HN 0.592 nan 8.230 nan 0.000 0.415 703 I N 4.338 124.807 120.570 -0.169 0.000 2.647 703 I HA 0.481 4.634 4.170 -0.028 0.000 0.295 703 I C -1.246 174.862 176.117 -0.016 0.000 1.078 703 I CA -0.707 60.550 61.300 -0.071 0.000 1.048 703 I CB 2.158 40.077 38.000 -0.135 0.000 1.239 703 I HN 0.691 nan 8.210 nan 0.000 0.421 704 H N 2.179 121.299 119.070 0.084 0.000 3.123 704 H HA 0.453 4.993 4.556 -0.027 0.000 0.346 704 H C -0.396 175.144 175.328 0.353 0.000 1.138 704 H CA -0.578 55.566 56.048 0.160 0.000 1.273 704 H CB 1.879 31.715 29.762 0.124 0.000 1.926 704 H HN 0.745 nan 8.280 nan 0.000 0.524 705 G N 0.971 110.078 108.800 0.512 0.000 2.415 705 G HA2 0.223 4.166 3.960 -0.028 0.000 0.269 705 G HA3 0.223 4.166 3.960 -0.028 0.000 0.269 705 G C 1.132 176.282 174.900 0.417 0.000 1.209 705 G CA 0.141 45.505 45.100 0.440 0.000 0.835 705 G HN 0.738 nan 8.290 nan 0.000 0.534 706 T N -0.948 113.704 114.554 0.164 0.000 3.055 706 T HA 0.151 4.484 4.350 -0.028 0.000 0.265 706 T C 1.618 176.288 174.700 -0.050 0.000 1.111 706 T CA 1.164 63.183 62.100 -0.135 0.000 1.118 706 T CB 0.217 68.928 68.868 -0.262 0.000 0.909 706 T HN 0.687 nan 8.240 nan 0.000 0.501 707 A N 1.074 123.937 122.820 0.072 0.000 2.708 707 A HA 0.330 4.633 4.320 -0.028 0.000 0.293 707 A C 0.330 177.879 177.584 -0.058 0.000 1.303 707 A CA -0.521 51.536 52.037 0.033 0.000 0.949 707 A CB -0.280 19.015 19.000 0.492 0.000 1.121 707 A HN 0.370 nan 8.150 nan 0.000 0.542 708 D N 1.538 121.925 120.400 -0.021 0.000 2.346 708 D HA -0.002 4.621 4.640 -0.028 0.000 0.260 708 D C 0.406 176.683 176.300 -0.038 0.000 1.252 708 D CA 0.156 54.249 54.000 0.156 0.000 0.895 708 D CB 0.701 41.753 40.800 0.419 0.000 1.097 708 D HN 0.575 nan 8.370 nan 0.000 0.489 709 D N 2.059 122.501 120.400 0.070 0.000 2.348 709 D HA -0.090 4.533 4.640 -0.028 0.000 0.211 709 D C 0.967 177.245 176.300 -0.037 0.000 0.998 709 D CA 0.050 54.038 54.000 -0.021 0.000 0.873 709 D CB 0.305 41.055 40.800 -0.084 0.000 0.925 709 D HN 0.437 nan 8.370 nan 0.000 0.524 710 N N 0.157 118.962 118.700 0.173 0.000 2.426 710 N HA -0.022 4.701 4.740 -0.028 0.000 0.205 710 N C -0.189 175.322 175.510 0.001 0.000 1.040 710 N CA 0.139 53.342 53.050 0.254 0.000 0.990 710 N CB 0.751 39.392 38.487 0.257 0.000 1.215 710 N HN -0.183 nan 8.380 nan 0.000 0.491 711 V N 2.498 122.452 119.914 0.067 0.000 2.320 711 V HA 0.195 4.298 4.120 -0.028 0.000 0.265 711 V C -0.857 175.340 176.094 0.171 0.000 1.048 711 V CA -0.321 62.040 62.300 0.102 0.000 0.865 711 V CB -0.090 31.847 31.823 0.189 0.000 1.043 711 V HN 0.341 nan 8.190 nan 0.000 0.474 712 H N 3.381 122.465 119.070 0.023 0.000 2.897 712 H HA -0.005 4.534 4.556 -0.027 0.000 0.347 712 H C 0.802 176.008 175.328 -0.202 0.000 1.068 712 H CA -0.102 55.872 56.048 -0.124 0.000 1.426 712 H CB 0.731 30.330 29.762 -0.272 0.000 1.410 712 H HN 0.629 nan 8.280 nan 0.000 0.597 713 F N 2.113 121.878 119.950 -0.307 0.000 2.192 713 F HA -0.313 4.197 4.527 -0.028 0.000 0.301 713 F C 2.563 178.076 175.800 -0.478 0.000 1.079 713 F CA 1.831 59.428 58.000 -0.672 0.000 1.303 713 F CB -0.216 38.587 39.000 -0.329 0.000 1.024 713 F HN 0.672 nan 8.300 nan 0.000 0.494 714 Q N 0.237 119.891 119.800 -0.243 0.000 2.156 714 Q HA -0.332 3.991 4.340 -0.028 0.000 0.211 714 Q C 2.097 177.840 176.000 -0.428 0.000 0.995 714 Q CA 2.480 58.086 55.803 -0.327 0.000 0.877 714 Q CB -0.394 28.140 28.738 -0.341 0.000 0.920 714 Q HN 0.611 nan 8.270 nan 0.000 0.416 715 Q N -0.393 119.202 119.800 -0.342 0.000 2.096 715 Q HA -0.131 4.192 4.340 -0.028 0.000 0.204 715 Q C 2.232 178.114 176.000 -0.197 0.000 0.982 715 Q CA 1.771 57.488 55.803 -0.143 0.000 0.850 715 Q CB -0.115 28.630 28.738 0.012 0.000 0.901 715 Q HN 0.332 nan 8.270 nan 0.000 0.422 716 S N 0.548 116.007 115.700 -0.402 0.000 2.436 716 S HA 0.034 4.487 4.470 -0.028 0.000 0.228 716 S C 2.021 176.342 174.600 -0.464 0.000 1.014 716 S CA 0.622 58.599 58.200 -0.371 0.000 0.950 716 S CB -0.033 62.960 63.200 -0.345 0.000 0.784 716 S HN 0.461 nan 8.310 nan 0.000 0.504 717 A N 1.389 123.815 122.820 -0.656 0.000 1.972 717 A HA -0.133 4.170 4.320 -0.028 0.000 0.219 717 A C 2.118 179.572 177.584 -0.216 0.000 1.169 717 A CA 1.137 52.923 52.037 -0.418 0.000 0.635 717 A CB -0.358 18.441 19.000 -0.336 0.000 0.810 717 A HN 0.358 nan 8.150 nan 0.000 0.446 718 Q N -0.567 119.120 119.800 -0.188 0.000 2.187 718 Q HA 0.037 4.360 4.340 -0.028 0.000 0.199 718 Q C 2.113 178.050 176.000 -0.104 0.000 0.957 718 Q CA 0.879 56.632 55.803 -0.083 0.000 0.857 718 Q CB -0.277 28.489 28.738 0.046 0.000 0.929 718 Q HN 0.774 nan 8.270 nan 0.000 0.453 719 I N 1.245 121.726 120.570 -0.149 0.000 2.179 719 I HA -0.290 3.863 4.170 -0.028 0.000 0.242 719 I C 2.551 178.496 176.117 -0.286 0.000 1.088 719 I CA 1.537 62.706 61.300 -0.218 0.000 1.357 719 I CB -0.412 37.467 38.000 -0.202 0.000 1.051 719 I HN 0.186 nan 8.210 nan 0.000 0.409 720 S N 0.789 116.348 115.700 -0.234 0.000 2.368 720 S HA -0.277 4.176 4.470 -0.028 0.000 0.225 720 S C 2.032 176.603 174.600 -0.049 0.000 1.030 720 S CA 1.465 59.570 58.200 -0.159 0.000 0.999 720 S CB -0.437 62.803 63.200 0.067 0.000 0.844 720 S HN 0.381 nan 8.310 nan 0.000 0.459 721 K N 1.619 121.987 120.400 -0.054 0.000 2.097 721 K HA 0.077 4.380 4.320 -0.028 0.000 0.205 721 K C 2.288 178.864 176.600 -0.040 0.000 1.050 721 K CA 1.064 57.338 56.287 -0.022 0.000 0.938 721 K CB -0.637 31.846 32.500 -0.027 0.000 0.718 721 K HN 0.448 nan 8.250 nan 0.000 0.442 722 A N 1.046 123.811 122.820 -0.092 0.000 1.930 722 A HA -0.093 4.211 4.320 -0.028 0.000 0.217 722 A C 2.064 179.577 177.584 -0.119 0.000 1.175 722 A CA 1.191 53.166 52.037 -0.102 0.000 0.627 722 A CB -0.546 18.374 19.000 -0.134 0.000 0.815 722 A HN 0.307 nan 8.150 nan 0.000 0.443 723 L N -0.677 120.427 121.223 -0.198 0.000 2.056 723 L HA -0.137 4.186 4.340 -0.028 0.000 0.207 723 L C 2.508 179.398 176.870 0.032 0.000 1.078 723 L CA 0.910 55.644 54.840 -0.176 0.000 0.749 723 L CB -0.596 41.190 42.059 -0.456 0.000 0.901 723 L HN 0.231 nan 8.230 nan 0.000 0.433 724 V N -0.098 119.871 119.914 0.092 0.000 2.343 724 V HA -0.294 3.809 4.120 -0.028 0.000 0.247 724 V C 2.066 178.197 176.094 0.062 0.000 1.051 724 V CA 1.913 64.287 62.300 0.124 0.000 1.036 724 V CB -0.515 31.381 31.823 0.121 0.000 0.654 724 V HN 0.433 nan 8.190 nan 0.000 0.451 725 D N 0.309 120.726 120.400 0.028 0.000 2.218 725 D HA -0.115 4.508 4.640 -0.028 0.000 0.204 725 D C 1.809 178.121 176.300 0.020 0.000 0.976 725 D CA 1.723 55.734 54.000 0.017 0.000 0.853 725 D CB -0.133 40.668 40.800 0.002 0.000 0.939 725 D HN 0.564 nan 8.370 nan 0.000 0.481 726 V N -3.633 116.293 119.914 0.020 0.000 3.647 726 V HA 0.474 4.577 4.120 -0.028 0.000 0.279 726 V C 1.237 177.361 176.094 0.049 0.000 1.314 726 V CA 0.296 62.613 62.300 0.028 0.000 1.125 726 V CB -0.156 31.680 31.823 0.021 0.000 0.907 726 V HN 0.145 nan 8.190 nan 0.000 0.434 727 G N 0.556 109.394 108.800 0.063 0.000 2.256 727 G HA2 -0.180 3.763 3.960 -0.028 0.000 0.272 727 G HA3 -0.180 3.763 3.960 -0.028 0.000 0.272 727 G C -0.124 174.840 174.900 0.106 0.000 1.076 727 G CA 0.203 45.350 45.100 0.078 0.000 0.882 727 G HN 0.827 nan 8.290 nan 0.000 0.497 728 V N 0.539 120.539 119.914 0.143 0.000 2.383 728 V HA 0.441 4.545 4.120 -0.028 0.000 0.275 728 V C 0.470 176.755 176.094 0.319 0.000 1.036 728 V CA -0.466 61.954 62.300 0.200 0.000 0.889 728 V CB 1.682 33.611 31.823 0.178 0.000 0.985 728 V HN 0.474 nan 8.190 nan 0.000 0.459 729 D N 4.186 124.741 120.400 0.259 0.000 2.304 729 D HA 0.613 5.237 4.640 -0.028 0.000 0.247 729 D C -0.558 175.967 176.300 0.376 0.000 1.089 729 D CA 0.170 54.302 54.000 0.221 0.000 0.910 729 D CB 0.813 41.676 40.800 0.105 0.000 1.199 729 D HN 0.381 nan 8.370 nan 0.000 0.426 730 F N -0.398 119.632 119.950 0.134 0.000 2.817 730 F HA 0.432 4.942 4.527 -0.028 0.000 0.317 730 F C -1.528 174.336 175.800 0.105 0.000 1.168 730 F CA -1.158 56.948 58.000 0.176 0.000 0.911 730 F CB 0.755 39.899 39.000 0.241 0.000 1.337 730 F HN 0.086 nan 8.300 nan 0.000 0.464 731 Q N 1.397 121.294 119.800 0.163 0.000 2.226 731 Q HA 0.829 5.152 4.340 -0.028 0.000 0.256 731 Q C -0.834 175.182 176.000 0.026 0.000 0.962 731 Q CA -0.763 55.043 55.803 0.005 0.000 0.887 731 Q CB 2.076 30.849 28.738 0.058 0.000 1.282 731 Q HN 1.045 nan 8.270 nan 0.000 0.449 732 A N 1.560 124.361 122.820 -0.032 0.000 2.587 732 A HA 0.828 5.132 4.320 -0.028 0.000 0.293 732 A C -1.450 176.084 177.584 -0.082 0.000 1.087 732 A CA -0.565 51.479 52.037 0.011 0.000 0.692 732 A CB 1.988 21.056 19.000 0.113 0.000 1.291 732 A HN 0.619 nan 8.150 nan 0.000 0.407 733 M N 1.391 120.929 119.600 -0.103 0.000 2.274 733 M HA 0.559 5.023 4.480 -0.028 0.000 0.272 733 M C -1.964 174.216 176.300 -0.199 0.000 1.053 733 M CA -0.409 54.679 55.300 -0.353 0.000 0.978 733 M CB 1.043 33.336 32.600 -0.511 0.000 1.836 733 M HN 0.998 nan 8.290 nan 0.000 0.484 734 W N 4.331 125.493 121.300 -0.230 0.000 2.448 734 W HA 0.757 5.400 4.660 -0.028 0.000 0.339 734 W C -1.945 174.337 176.519 -0.395 0.000 1.124 734 W CA -0.764 56.518 57.345 -0.105 0.000 1.262 734 W CB 0.282 29.706 29.460 -0.061 0.000 1.251 734 W HN 0.610 nan 8.180 nan 0.000 0.597 735 Y N 2.429 122.836 120.300 0.179 0.000 2.388 735 Y HA 0.293 4.827 4.550 -0.027 0.000 0.328 735 Y C 0.527 176.514 175.900 0.146 0.000 0.963 735 Y CA -1.043 57.087 58.100 0.050 0.000 1.240 735 Y CB 1.296 39.759 38.460 0.005 0.000 1.118 735 Y HN 0.420 nan 8.280 nan 0.000 0.484 736 T N 4.690 119.393 114.554 0.248 0.000 2.871 736 T HA -0.026 4.307 4.350 -0.028 0.000 0.296 736 T C 0.240 174.990 174.700 0.083 0.000 0.998 736 T CA 0.704 62.886 62.100 0.135 0.000 1.162 736 T CB -0.098 68.793 68.868 0.038 0.000 0.947 736 T HN 0.726 nan 8.240 nan 0.000 0.536 737 D N 0.667 121.090 120.400 0.039 0.000 2.978 737 D HA -0.124 4.499 4.640 -0.028 0.000 0.205 737 D C 0.295 176.705 176.300 0.183 0.000 1.093 737 D CA 1.144 55.100 54.000 -0.073 0.000 1.006 737 D CB -0.373 40.170 40.800 -0.427 0.000 1.116 737 D HN 0.563 nan 8.370 nan 0.000 0.419 738 E N 1.139 121.467 120.200 0.215 0.000 2.343 738 E HA 0.292 4.625 4.350 -0.028 0.000 0.269 738 E C 0.778 177.553 176.600 0.291 0.000 1.047 738 E CA -0.154 56.397 56.400 0.251 0.000 0.874 738 E CB 1.089 30.924 29.700 0.226 0.000 1.033 738 E HN 0.377 nan 8.360 nan 0.000 0.409 739 D N -0.243 120.345 120.400 0.312 0.000 2.511 739 D HA -0.012 4.611 4.640 -0.028 0.000 0.283 739 D C 1.069 177.592 176.300 0.371 0.000 1.198 739 D CA -0.175 54.035 54.000 0.350 0.000 1.097 739 D CB -0.151 40.886 40.800 0.394 0.000 1.160 739 D HN 0.437 nan 8.370 nan 0.000 0.589 740 H N -1.637 117.624 119.070 0.318 0.000 2.456 740 H HA 0.098 4.636 4.556 -0.029 0.000 0.296 740 H C 1.898 177.504 175.328 0.463 0.000 1.079 740 H CA 2.177 58.442 56.048 0.362 0.000 1.322 740 H CB -0.346 29.616 29.762 0.334 0.000 1.388 740 H HN 0.489 nan 8.280 nan 0.000 0.538 741 G N -0.222 108.772 108.800 0.324 0.000 2.712 741 G HA2 0.004 3.947 3.960 -0.028 0.000 0.212 741 G HA3 0.004 3.947 3.960 -0.028 0.000 0.212 741 G C 0.607 175.700 174.900 0.322 0.000 1.142 741 G CA 0.264 45.479 45.100 0.192 0.000 0.789 741 G HN 0.524 nan 8.290 nan 0.000 0.535 742 I N 0.057 120.833 120.570 0.343 0.000 5.115 742 I HA -0.327 3.826 4.170 -0.028 0.000 0.126 742 I C 1.456 177.703 176.117 0.217 0.000 1.316 742 I CA 0.263 61.707 61.300 0.241 0.000 2.641 742 I CB -1.177 36.933 38.000 0.184 0.000 2.272 742 I HN 0.280 nan 8.210 nan 0.000 0.321 743 A N 0.739 123.664 122.820 0.175 0.000 2.431 743 A HA 0.325 4.628 4.320 -0.028 0.000 0.239 743 A C 1.054 178.692 177.584 0.090 0.000 1.230 743 A CA 0.042 52.151 52.037 0.121 0.000 0.928 743 A CB 0.302 19.341 19.000 0.065 0.000 1.006 743 A HN 0.408 nan 8.150 nan 0.000 0.520 744 S N 0.149 115.915 115.700 0.109 0.000 2.566 744 S HA 0.103 4.556 4.470 -0.028 0.000 0.280 744 S C 1.645 176.301 174.600 0.092 0.000 1.343 744 S CA 0.494 58.751 58.200 0.094 0.000 1.036 744 S CB 1.200 64.460 63.200 0.099 0.000 0.866 744 S HN 0.618 nan 8.310 nan 0.000 0.526 745 S N 2.116 117.857 115.700 0.068 0.000 2.359 745 S HA -0.176 4.278 4.470 -0.028 0.000 0.224 745 S C 2.124 176.783 174.600 0.098 0.000 1.035 745 S CA 2.183 60.424 58.200 0.069 0.000 1.018 745 S CB -0.875 62.346 63.200 0.035 0.000 0.876 745 S HN 0.931 nan 8.310 nan 0.000 0.448 746 T N -0.413 114.188 114.554 0.078 0.000 2.904 746 T HA 0.246 4.579 4.350 -0.028 0.000 0.267 746 T C 1.980 176.734 174.700 0.089 0.000 1.059 746 T CA 1.136 63.284 62.100 0.080 0.000 1.137 746 T CB -0.800 68.106 68.868 0.064 0.000 0.879 746 T HN 0.479 nan 8.240 nan 0.000 0.467 747 A N 1.397 124.250 122.820 0.056 0.000 1.929 747 A HA -0.035 4.268 4.320 -0.028 0.000 0.216 747 A C 2.172 179.698 177.584 -0.096 0.000 1.176 747 A CA 1.807 53.803 52.037 -0.068 0.000 0.628 747 A CB -1.133 17.800 19.000 -0.112 0.000 0.816 747 A HN 0.737 nan 8.150 nan 0.000 0.444 748 H N -0.112 118.938 119.070 -0.033 0.000 2.321 748 H HA -0.126 4.412 4.556 -0.029 0.000 0.300 748 H C 2.088 177.473 175.328 0.095 0.000 1.087 748 H CA 2.317 58.398 56.048 0.055 0.000 1.319 748 H CB -0.192 29.608 29.762 0.064 0.000 1.379 748 H HN 0.559 nan 8.280 nan 0.000 0.501 749 Q N -0.968 118.831 119.800 -0.002 0.000 2.119 749 Q HA -0.185 4.139 4.340 -0.028 0.000 0.201 749 Q C 2.197 178.179 176.000 -0.031 0.000 0.972 749 Q CA 1.325 57.089 55.803 -0.065 0.000 0.847 749 Q CB -0.177 28.566 28.738 0.009 0.000 0.903 749 Q HN 0.640 nan 8.270 nan 0.000 0.433 750 H N 0.753 119.791 119.070 -0.054 0.000 2.357 750 H HA -0.059 4.480 4.556 -0.028 0.000 0.301 750 H C 2.019 177.343 175.328 -0.006 0.000 1.082 750 H CA 1.212 57.266 56.048 0.009 0.000 1.342 750 H CB 0.001 29.825 29.762 0.103 0.000 1.389 750 H HN 0.274 nan 8.280 nan 0.000 0.511 751 I N 0.127 120.667 120.570 -0.050 0.000 2.179 751 I HA -0.329 3.824 4.170 -0.028 0.000 0.242 751 I C 1.835 177.739 176.117 -0.354 0.000 1.088 751 I CA 1.282 62.471 61.300 -0.185 0.000 1.357 751 I CB -0.319 37.388 38.000 -0.490 0.000 1.051 751 I HN 0.161 nan 8.210 nan 0.000 0.409 752 Y N 0.869 120.947 120.300 -0.369 0.000 2.274 752 Y HA -0.245 4.288 4.550 -0.028 0.000 0.290 752 Y C 2.719 178.404 175.900 -0.358 0.000 1.145 752 Y CA 2.009 59.779 58.100 -0.551 0.000 1.203 752 Y CB -0.665 37.475 38.460 -0.533 0.000 0.984 752 Y HN 0.164 nan 8.280 nan 0.000 0.533 753 T N -1.713 112.762 114.554 -0.132 0.000 2.777 753 T HA -0.234 4.099 4.350 -0.028 0.000 0.266 753 T C 1.524 176.106 174.700 -0.196 0.000 1.040 753 T CA 1.827 63.813 62.100 -0.190 0.000 1.141 753 T CB -0.423 68.333 68.868 -0.188 0.000 0.868 753 T HN 0.422 nan 8.240 nan 0.000 0.444 754 H N 0.860 119.805 119.070 -0.208 0.000 2.353 754 H HA 0.116 4.655 4.556 -0.028 0.000 0.300 754 H C 2.163 177.478 175.328 -0.022 0.000 1.090 754 H CA 1.521 57.527 56.048 -0.070 0.000 1.327 754 H CB -0.226 29.487 29.762 -0.081 0.000 1.383 754 H HN 0.255 nan 8.280 nan 0.000 0.508 755 M N -0.822 118.716 119.600 -0.104 0.000 2.175 755 M HA -0.150 4.313 4.480 -0.028 0.000 0.264 755 M C 2.363 178.774 176.300 0.184 0.000 1.063 755 M CA 1.408 56.637 55.300 -0.118 0.000 1.119 755 M CB -0.006 32.251 32.600 -0.572 0.000 1.377 755 M HN 0.204 nan 8.290 nan 0.000 0.415 756 S N -0.522 115.314 115.700 0.226 0.000 2.368 756 S HA -0.164 4.290 4.470 -0.028 0.000 0.225 756 S C 1.580 176.282 174.600 0.170 0.000 1.030 756 S CA 1.286 59.717 58.200 0.385 0.000 0.999 756 S CB -0.581 62.841 63.200 0.370 0.000 0.844 756 S HN 0.560 nan 8.310 nan 0.000 0.459 757 H N -0.487 118.649 119.070 0.111 0.000 2.353 757 H HA -0.052 4.488 4.556 -0.027 0.000 0.300 757 H C 1.940 177.276 175.328 0.013 0.000 1.090 757 H CA 1.667 57.733 56.048 0.030 0.000 1.327 757 H CB -0.213 29.517 29.762 -0.053 0.000 1.383 757 H HN 0.400 nan 8.280 nan 0.000 0.508 758 F N 1.066 121.003 119.950 -0.022 0.000 2.102 758 F HA -0.230 4.280 4.527 -0.029 0.000 0.298 758 F C 2.035 177.790 175.800 -0.074 0.000 1.105 758 F CA 1.095 59.052 58.000 -0.072 0.000 1.239 758 F CB -0.197 38.735 39.000 -0.114 0.000 0.991 758 F HN 0.044 nan 8.300 nan 0.000 0.474 759 I N 0.800 121.384 120.570 0.023 0.000 2.226 759 I HA -0.272 3.881 4.170 -0.028 0.000 0.245 759 I C 2.269 178.176 176.117 -0.349 0.000 1.100 759 I CA 1.514 62.644 61.300 -0.284 0.000 1.374 759 I CB -1.292 36.631 38.000 -0.129 0.000 1.057 759 I HN 0.247 nan 8.210 nan 0.000 0.413 760 K N 0.236 120.583 120.400 -0.087 0.000 2.057 760 K HA -0.247 4.056 4.320 -0.028 0.000 0.207 760 K C 2.079 178.665 176.600 -0.023 0.000 1.049 760 K CA 1.516 57.807 56.287 0.007 0.000 0.931 760 K CB -0.212 32.344 32.500 0.093 0.000 0.714 760 K HN 0.329 nan 8.250 nan 0.000 0.440 761 Q N 0.802 120.554 119.800 -0.081 0.000 2.061 761 Q HA -0.241 4.083 4.340 -0.028 0.000 0.204 761 Q C 2.316 178.225 176.000 -0.151 0.000 0.984 761 Q CA 2.045 57.786 55.803 -0.104 0.000 0.846 761 Q CB -0.381 28.278 28.738 -0.132 0.000 0.902 761 Q HN 0.436 nan 8.270 nan 0.000 0.421 762 c N -0.057 118.342 118.600 -0.334 0.000 2.413 762 c HA -0.114 4.440 4.570 -0.028 0.000 0.276 762 c C 1.843 175.948 174.090 0.024 0.000 1.248 762 c CA 0.541 56.687 56.329 -0.305 0.000 1.742 762 c CB -1.250 40.893 42.510 -0.612 0.000 2.017 762 c HN 0.666 nan 8.230 nan 0.000 0.481 763 F N 1.684 121.593 119.950 -0.069 0.000 2.692 763 F HA 0.259 4.769 4.527 -0.029 0.000 0.303 763 F C 1.599 177.384 175.800 -0.025 0.000 1.114 763 F CA 0.260 58.242 58.000 -0.030 0.000 1.361 763 F CB -1.330 37.663 39.000 -0.013 0.000 1.063 763 F HN 0.217 nan 8.300 nan 0.000 0.550 764 S N 0.925 116.705 115.700 0.133 0.000 3.614 764 S HA -0.211 4.243 4.470 -0.028 0.000 0.360 764 S C 0.000 174.642 174.600 0.070 0.000 1.023 764 S CA 0.189 58.431 58.200 0.071 0.000 1.114 764 S CB -1.964 61.267 63.200 0.051 0.000 0.907 764 S HN 0.261 nan 8.310 nan 0.000 0.470 765 L N 1.220 122.496 121.223 0.088 0.000 2.280 765 L HA 0.514 4.837 4.340 -0.028 0.000 0.287 765 L C -1.893 175.018 176.870 0.069 0.000 1.023 765 L CA -1.748 53.140 54.840 0.080 0.000 0.819 765 L CB 1.044 43.166 42.059 0.106 0.000 1.212 765 L HN 0.037 nan 8.230 nan 0.000 0.420 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.133 63.100 0.056 0.000 0.800 766 P CB 0.000 31.723 31.700 0.038 0.000 0.726