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_C 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 0.000 176.349 176.300 0.082 0.000 0.893 40 R CA 0.000 56.145 56.100 0.075 0.000 0.921 40 R CB 0.000 30.343 30.300 0.073 0.000 0.687 41 K N 0.173 120.625 120.400 0.087 0.000 2.156 41 K HA 0.841 5.161 4.320 -0.001 0.000 0.250 41 K C 0.130 176.795 176.600 0.108 0.000 0.955 41 K CA -0.103 56.245 56.287 0.102 0.000 0.855 41 K CB 2.211 34.782 32.500 0.117 0.000 1.101 41 K HN 0.402 nan 8.250 nan 0.000 0.434 42 T N -1.835 112.796 114.554 0.129 0.000 2.927 42 T HA 0.216 4.565 4.350 -0.001 0.000 0.286 42 T C -0.858 173.978 174.700 0.225 0.000 1.040 42 T CA -0.787 61.402 62.100 0.148 0.000 1.010 42 T CB 0.604 69.553 68.868 0.135 0.000 1.177 42 T HN 0.566 nan 8.240 nan 0.000 0.546 43 Y N 2.687 123.058 120.300 0.117 0.000 2.539 43 Y HA 0.379 4.928 4.550 -0.001 0.000 0.352 43 Y C 0.996 177.063 175.900 0.278 0.000 1.004 43 Y CA -0.366 57.853 58.100 0.198 0.000 1.278 43 Y CB -0.245 38.289 38.460 0.124 0.000 1.136 43 Y HN 1.003 nan 8.280 nan 0.000 0.528 44 T N 2.358 116.930 114.554 0.031 0.000 2.788 44 T HA 0.092 4.442 4.350 -0.001 0.000 0.280 44 T C 1.020 175.644 174.700 -0.128 0.000 0.984 44 T CA -0.632 61.522 62.100 0.089 0.000 0.972 44 T CB 1.086 69.970 68.868 0.027 0.000 1.039 44 T HN 0.692 nan 8.240 nan 0.000 0.530 45 L N 0.837 121.821 121.223 -0.399 0.000 2.046 45 L HA 0.029 4.369 4.340 -0.001 0.000 0.208 45 L C 2.682 179.397 176.870 -0.258 0.000 1.077 45 L CA 2.118 56.560 54.840 -0.663 0.000 0.747 45 L CB -1.542 40.028 42.059 -0.816 0.000 0.896 45 L HN 0.953 nan 8.230 nan 0.000 0.432 46 T N -0.379 114.058 114.554 -0.195 0.000 2.759 46 T HA -0.167 4.183 4.350 -0.001 0.000 0.269 46 T C 1.472 176.072 174.700 -0.167 0.000 1.042 46 T CA 1.481 63.495 62.100 -0.144 0.000 1.140 46 T CB -0.359 68.449 68.868 -0.099 0.000 0.864 46 T HN 0.413 nan 8.240 nan 0.000 0.455 47 D N 0.172 120.441 120.400 -0.220 0.000 2.104 47 D HA -0.096 4.543 4.640 -0.001 0.000 0.194 47 D C 1.746 177.907 176.300 -0.233 0.000 0.994 47 D CA 1.083 54.905 54.000 -0.296 0.000 0.830 47 D CB -0.453 40.071 40.800 -0.459 0.000 0.959 47 D HN 0.441 nan 8.370 nan 0.000 0.452 48 Y N 1.381 121.464 120.300 -0.362 0.000 2.224 48 Y HA -0.091 4.458 4.550 -0.001 0.000 0.289 48 Y C 2.061 177.953 175.900 -0.014 0.000 1.146 48 Y CA 1.162 59.224 58.100 -0.063 0.000 1.182 48 Y CB -0.411 38.094 38.460 0.074 0.000 0.983 48 Y HN -0.073 nan 8.280 nan 0.000 0.524 49 L N -0.179 120.854 121.223 -0.317 0.000 2.313 49 L HA -0.059 4.281 4.340 -0.001 0.000 0.214 49 L C 1.546 178.300 176.870 -0.194 0.000 1.119 49 L CA 0.866 55.503 54.840 -0.338 0.000 0.809 49 L CB -0.264 41.671 42.059 -0.207 0.000 0.933 49 L HN 0.022 nan 8.230 nan 0.000 0.449 50 K N 0.098 120.404 120.400 -0.157 0.000 2.387 50 K HA 0.180 4.500 4.320 -0.001 0.000 0.203 50 K C -0.119 176.419 176.600 -0.103 0.000 1.030 50 K CA -0.121 56.098 56.287 -0.114 0.000 1.099 50 K CB 0.178 32.614 32.500 -0.107 0.000 0.863 50 K HN 0.181 nan 8.250 nan 0.000 0.529 51 N N 0.749 119.394 118.700 -0.091 0.000 2.727 51 N HA -0.189 4.550 4.740 -0.001 0.000 0.249 51 N C 0.409 175.882 175.510 -0.062 0.000 1.048 51 N CA 0.750 53.784 53.050 -0.027 0.000 0.714 51 N CB -1.502 36.972 38.487 -0.022 0.000 0.959 51 N HN 0.099 nan 8.380 nan 0.000 0.544 52 T N -1.000 113.453 114.554 -0.169 0.000 2.665 52 T HA -0.219 4.131 4.350 -0.001 0.000 0.268 52 T C 0.406 174.861 174.700 -0.407 0.000 1.035 52 T CA 1.484 63.353 62.100 -0.385 0.000 1.151 52 T CB -0.185 68.270 68.868 -0.689 0.000 0.862 52 T HN 0.373 nan 8.240 nan 0.000 0.438 53 Y N 1.403 121.784 120.300 0.134 0.000 2.491 53 Y HA 0.512 5.062 4.550 -0.001 0.000 0.334 53 Y C 0.407 176.417 175.900 0.183 0.000 0.969 53 Y CA -1.118 57.092 58.100 0.183 0.000 1.241 53 Y CB 0.429 39.061 38.460 0.287 0.000 1.105 53 Y HN -0.100 nan 8.280 nan 0.000 0.503 54 R N 3.358 123.999 120.500 0.235 0.000 2.265 54 R HA 0.510 4.850 4.340 -0.001 0.000 0.319 54 R C -0.928 175.478 176.300 0.176 0.000 1.006 54 R CA -0.684 55.519 56.100 0.172 0.000 0.880 54 R CB 0.780 31.138 30.300 0.097 0.000 1.077 54 R HN 0.679 nan 8.270 nan 0.000 0.454 55 L N 4.227 125.558 121.223 0.180 0.000 2.360 55 L HA 0.195 4.535 4.340 -0.001 0.000 0.276 55 L C 0.454 177.397 176.870 0.121 0.000 1.121 55 L CA 0.111 55.055 54.840 0.173 0.000 0.845 55 L CB 0.679 42.862 42.059 0.207 0.000 1.143 55 L HN 0.426 nan 8.230 nan 0.000 0.452 56 K N 2.387 122.847 120.400 0.100 0.000 2.218 56 K HA 0.496 4.816 4.320 -0.001 0.000 0.276 56 K C -0.758 175.840 176.600 -0.004 0.000 1.022 56 K CA -0.462 55.856 56.287 0.052 0.000 0.946 56 K CB 0.849 33.380 32.500 0.052 0.000 1.000 56 K HN 0.245 nan 8.250 nan 0.000 0.468 57 L N 2.563 123.737 121.223 -0.081 0.000 2.271 57 L HA 0.413 4.752 4.340 -0.001 0.000 0.265 57 L C -1.173 175.487 176.870 -0.350 0.000 1.013 57 L CA -0.447 54.228 54.840 -0.275 0.000 0.820 57 L CB 1.210 43.222 42.059 -0.078 0.000 1.352 57 L HN 0.594 nan 8.230 nan 0.000 0.443 58 Y N 0.267 120.100 120.300 -0.778 0.000 2.497 58 Y HA 0.366 4.915 4.550 -0.001 0.000 0.333 58 Y C -0.176 175.607 175.900 -0.194 0.000 1.046 58 Y CA -0.273 57.585 58.100 -0.403 0.000 1.160 58 Y CB 1.175 39.249 38.460 -0.643 0.000 1.123 58 Y HN 0.483 nan 8.280 nan 0.000 0.638 59 S N 4.115 119.762 115.700 -0.089 0.000 2.422 59 S HA 0.507 4.977 4.470 -0.001 0.000 0.283 59 S C -0.599 173.938 174.600 -0.105 0.000 1.163 59 S CA -0.480 57.693 58.200 -0.044 0.000 1.054 59 S CB -0.606 62.578 63.200 -0.027 0.000 0.967 59 S HN 0.535 nan 8.310 nan 0.000 0.499 60 L N 3.789 124.909 121.223 -0.171 0.000 2.319 60 L HA 0.876 5.216 4.340 -0.001 0.000 0.267 60 L C -0.357 176.376 176.870 -0.228 0.000 1.011 60 L CA -0.995 53.674 54.840 -0.285 0.000 0.818 60 L CB 1.321 42.905 42.059 -0.792 0.000 1.316 60 L HN 0.606 nan 8.230 nan 0.000 0.432 61 R N 0.122 120.528 120.500 -0.156 0.000 2.513 61 R HA 0.567 4.907 4.340 -0.001 0.000 0.301 61 R C -1.890 174.398 176.300 -0.020 0.000 0.968 61 R CA -0.634 55.433 56.100 -0.055 0.000 0.872 61 R CB 0.717 31.027 30.300 0.017 0.000 1.177 61 R HN 0.712 nan 8.270 nan 0.000 0.444 62 W N 4.054 125.433 121.300 0.131 0.000 2.266 62 W HA 0.237 4.897 4.660 -0.001 0.000 0.317 62 W C 1.341 177.921 176.519 0.102 0.000 1.310 62 W CA -0.684 56.750 57.345 0.147 0.000 1.207 62 W CB 0.774 30.316 29.460 0.136 0.000 1.199 62 W HN 0.706 nan 8.180 nan 0.000 0.544 63 I N 0.171 120.932 120.570 0.319 0.000 4.070 63 I HA 0.271 4.440 4.170 -0.001 0.000 0.328 63 I C 0.803 177.025 176.117 0.175 0.000 1.298 63 I CA 0.042 61.446 61.300 0.174 0.000 1.173 63 I CB -0.115 37.923 38.000 0.064 0.000 1.051 63 I HN 0.264 nan 8.210 nan 0.000 0.409 64 S N -0.592 115.256 115.700 0.248 0.000 2.815 64 S HA 0.290 4.760 4.470 -0.001 0.000 0.296 64 S C -0.120 174.529 174.600 0.081 0.000 1.224 64 S CA -0.190 58.098 58.200 0.146 0.000 0.938 64 S CB 1.099 64.391 63.200 0.154 0.000 1.285 64 S HN 0.042 nan 8.310 nan 0.000 0.549 65 D N -0.723 119.578 120.400 -0.165 0.000 2.350 65 D HA 0.228 4.868 4.640 -0.001 0.000 0.213 65 D C 1.045 177.175 176.300 -0.283 0.000 1.031 65 D CA 0.822 54.624 54.000 -0.329 0.000 0.861 65 D CB 0.016 40.522 40.800 -0.490 0.000 0.926 65 D HN 0.577 nan 8.370 nan 0.000 0.520 66 H N -1.150 118.049 119.070 0.215 0.000 2.926 66 H HA 0.336 4.892 4.556 -0.001 0.000 0.249 66 H C 0.129 175.556 175.328 0.164 0.000 0.963 66 H CA 0.062 56.209 56.048 0.165 0.000 1.158 66 H CB 0.935 30.790 29.762 0.155 0.000 1.445 66 H HN 0.137 nan 8.280 nan 0.000 0.452 67 E N 0.957 121.374 120.200 0.362 0.000 2.263 67 E HA 0.425 4.775 4.350 -0.001 0.000 0.264 67 E C -1.283 175.488 176.600 0.285 0.000 0.923 67 E CA -1.024 55.505 56.400 0.216 0.000 0.802 67 E CB 2.907 32.672 29.700 0.109 0.000 1.228 67 E HN 0.129 nan 8.360 nan 0.000 0.417 68 Y N -1.130 119.183 120.300 0.021 0.000 2.588 68 Y HA 0.596 5.146 4.550 -0.000 0.000 0.343 68 Y C -1.748 174.122 175.900 -0.050 0.000 1.065 68 Y CA -1.355 56.626 58.100 -0.199 0.000 1.038 68 Y CB 0.816 38.750 38.460 -0.877 0.000 1.297 68 Y HN 0.346 nan 8.280 nan 0.000 0.467 69 L N 3.032 124.380 121.223 0.209 0.000 2.344 69 L HA 0.573 4.913 4.340 -0.001 0.000 0.272 69 L C -1.354 175.701 176.870 0.309 0.000 1.035 69 L CA -1.128 53.841 54.840 0.215 0.000 0.807 69 L CB 1.913 44.034 42.059 0.103 0.000 1.237 69 L HN 0.855 nan 8.230 nan 0.000 0.442 70 Y N 1.529 121.913 120.300 0.140 0.000 2.442 70 Y HA 0.287 4.837 4.550 -0.001 0.000 0.330 70 Y C -0.742 175.155 175.900 -0.006 0.000 1.100 70 Y CA -1.205 56.853 58.100 -0.070 0.000 1.034 70 Y CB 1.494 39.743 38.460 -0.352 0.000 1.285 70 Y HN 0.440 nan 8.280 nan 0.000 0.440 71 K N 4.569 124.533 120.400 -0.726 0.000 2.315 71 K HA 0.129 4.449 4.320 -0.001 0.000 0.291 71 K C -0.422 175.622 176.600 -0.927 0.000 1.074 71 K CA 0.065 55.986 56.287 -0.610 0.000 0.936 71 K CB 0.403 32.682 32.500 -0.368 0.000 1.049 71 K HN 0.742 nan 8.250 nan 0.000 0.471 72 Q N 4.464 124.032 119.800 -0.386 0.000 2.842 72 Q HA 0.069 4.408 4.340 -0.001 0.000 0.323 72 Q C -0.700 175.265 176.000 -0.060 0.000 1.111 72 Q CA -0.187 55.549 55.803 -0.111 0.000 1.047 72 Q CB 0.206 29.076 28.738 0.220 0.000 1.280 72 Q HN 0.802 nan 8.270 nan 0.000 0.475 73 E N 0.716 120.852 120.200 -0.108 0.000 2.976 73 E HA -0.357 3.993 4.350 -0.001 0.000 0.267 73 E C -0.467 176.089 176.600 -0.073 0.000 1.370 73 E CA 1.940 58.298 56.400 -0.069 0.000 1.716 73 E CB -1.381 28.270 29.700 -0.082 0.000 1.988 73 E HN 0.754 nan 8.360 nan 0.000 0.551 74 N N 1.813 120.480 118.700 -0.055 0.000 2.626 74 N HA -0.087 4.653 4.740 -0.001 0.000 0.193 74 N C -0.055 175.412 175.510 -0.072 0.000 1.213 74 N CA 0.796 53.809 53.050 -0.061 0.000 0.914 74 N CB -0.796 37.660 38.487 -0.052 0.000 0.994 74 N HN 0.484 nan 8.380 nan 0.000 0.447 75 N N -0.180 118.476 118.700 -0.073 0.000 2.416 75 N HA 0.340 5.080 4.740 -0.001 0.000 0.276 75 N C -1.578 173.899 175.510 -0.055 0.000 1.261 75 N CA -0.918 52.088 53.050 -0.074 0.000 0.790 75 N CB 1.415 39.854 38.487 -0.080 0.000 1.554 75 N HN -0.093 nan 8.380 nan 0.000 0.481 76 I N 1.510 122.059 120.570 -0.035 0.000 2.321 76 I HA 0.241 4.411 4.170 -0.001 0.000 0.291 76 I C -0.518 175.657 176.117 0.098 0.000 0.998 76 I CA -0.784 60.531 61.300 0.025 0.000 1.227 76 I CB 1.044 39.055 38.000 0.018 0.000 1.368 76 I HN 0.309 nan 8.210 nan 0.000 0.466 77 L N 6.847 128.159 121.223 0.147 0.000 2.344 77 L HA 0.529 4.869 4.340 -0.001 0.000 0.272 77 L C 0.097 177.043 176.870 0.126 0.000 1.035 77 L CA -0.768 54.129 54.840 0.095 0.000 0.807 77 L CB 1.226 43.286 42.059 0.001 0.000 1.237 77 L HN 0.279 nan 8.230 nan 0.000 0.442 78 V N 2.108 122.009 119.914 -0.021 0.000 2.644 78 V HA 0.541 4.661 4.120 -0.001 0.000 0.295 78 V C -0.930 175.024 176.094 -0.233 0.000 1.053 78 V CA -0.231 62.032 62.300 -0.061 0.000 0.987 78 V CB 1.471 33.255 31.823 -0.064 0.000 1.006 78 V HN 0.527 nan 8.190 nan 0.000 0.472 79 F N 4.264 123.977 119.950 -0.394 0.000 2.540 79 F HA 0.443 4.969 4.527 -0.000 0.000 0.317 79 F C 0.224 175.761 175.800 -0.438 0.000 1.104 79 F CA -0.506 57.167 58.000 -0.545 0.000 0.913 79 F CB 1.814 40.087 39.000 -1.211 0.000 1.170 79 F HN 0.565 nan 8.300 nan 0.000 0.450 80 N N 1.595 120.241 118.700 -0.090 0.000 2.472 80 N HA 0.436 5.175 4.740 -0.001 0.000 0.277 80 N C 0.517 176.013 175.510 -0.023 0.000 1.081 80 N CA 0.060 53.106 53.050 -0.007 0.000 0.973 80 N CB 1.426 39.958 38.487 0.075 0.000 1.105 80 N HN 0.781 nan 8.380 nan 0.000 0.470 81 A N 3.116 125.879 122.820 -0.095 0.000 1.898 81 A HA -0.118 4.201 4.320 -0.001 0.000 0.214 81 A C 1.902 179.373 177.584 -0.188 0.000 1.183 81 A CA 1.065 52.977 52.037 -0.209 0.000 0.622 81 A CB -0.549 18.067 19.000 -0.640 0.000 0.824 81 A HN 0.913 nan 8.150 nan 0.000 0.444 82 E N -1.652 118.458 120.200 -0.150 0.000 2.077 82 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 82 E C 1.324 177.740 176.600 -0.307 0.000 0.989 82 E CA 1.636 57.996 56.400 -0.067 0.000 0.800 82 E CB -0.164 29.478 29.700 -0.097 0.000 0.746 82 E HN 0.749 nan 8.360 nan 0.000 0.452 83 Y N -1.705 118.630 120.300 0.058 0.000 2.483 83 Y HA 0.312 4.862 4.550 -0.001 0.000 0.258 83 Y C 1.462 177.381 175.900 0.031 0.000 1.083 83 Y CA 0.370 58.492 58.100 0.038 0.000 1.283 83 Y CB 1.308 39.780 38.460 0.019 0.000 1.178 83 Y HN 0.187 nan 8.280 nan 0.000 0.515 84 G N 1.475 110.371 108.800 0.160 0.000 2.143 84 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.248 84 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.248 84 G C -0.090 174.880 174.900 0.117 0.000 0.991 84 G CA 0.302 45.501 45.100 0.164 0.000 0.689 84 G HN 0.451 nan 8.290 nan 0.000 0.522 85 N N 0.166 118.898 118.700 0.053 0.000 2.463 85 N HA 0.696 5.436 4.740 -0.001 0.000 0.270 85 N C 0.029 175.399 175.510 -0.232 0.000 1.205 85 N CA 0.427 53.440 53.050 -0.061 0.000 0.974 85 N CB 1.672 40.131 38.487 -0.048 0.000 1.197 85 N HN 0.979 nan 8.380 nan 0.000 0.504 86 S N -1.517 113.982 115.700 -0.335 0.000 2.625 86 S HA 0.745 5.215 4.470 -0.001 0.000 0.271 86 S C -1.112 173.298 174.600 -0.317 0.000 1.161 86 S CA -0.836 57.045 58.200 -0.533 0.000 0.820 86 S CB 0.978 63.461 63.200 -1.194 0.000 1.137 86 S HN 1.036 nan 8.310 nan 0.000 0.470 87 S N -0.195 115.344 115.700 -0.269 0.000 2.556 87 S HA 0.662 5.132 4.470 -0.001 0.000 0.271 87 S C -0.895 173.645 174.600 -0.101 0.000 1.135 87 S CA -0.892 57.218 58.200 -0.149 0.000 0.858 87 S CB 0.958 64.102 63.200 -0.094 0.000 1.114 87 S HN 1.059 nan 8.310 nan 0.000 0.468 88 V N 3.350 123.218 119.914 -0.077 0.000 2.446 88 V HA 0.162 4.281 4.120 -0.001 0.000 0.276 88 V C 0.708 176.795 176.094 -0.012 0.000 1.030 88 V CA 0.074 62.345 62.300 -0.049 0.000 1.033 88 V CB -0.502 31.273 31.823 -0.080 0.000 0.993 88 V HN 0.939 nan 8.190 nan 0.000 0.477 89 F N 5.269 125.150 119.950 -0.115 0.000 2.262 89 F HA 0.339 4.865 4.527 -0.001 0.000 0.292 89 F C 0.705 176.415 175.800 -0.151 0.000 1.081 89 F CA 0.668 58.602 58.000 -0.110 0.000 1.355 89 F CB 0.565 39.521 39.000 -0.074 0.000 1.069 89 F HN 0.368 nan 8.300 nan 0.000 0.506 90 L N 2.203 123.354 121.223 -0.120 0.000 2.427 90 L HA 0.264 4.604 4.340 -0.001 0.000 0.264 90 L C -0.146 176.584 176.870 -0.233 0.000 0.989 90 L CA -0.675 53.997 54.840 -0.281 0.000 0.865 90 L CB 0.883 42.827 42.059 -0.193 0.000 1.209 90 L HN 0.252 nan 8.230 nan 0.000 0.430 91 E N 1.524 121.556 120.200 -0.281 0.000 2.569 91 E HA -0.021 4.328 4.350 -0.001 0.000 0.258 91 E C 0.457 176.913 176.600 -0.239 0.000 1.390 91 E CA 0.335 56.602 56.400 -0.222 0.000 1.049 91 E CB 0.359 29.927 29.700 -0.220 0.000 1.009 91 E HN 0.661 nan 8.360 nan 0.000 0.580 92 N N 0.141 118.732 118.700 -0.182 0.000 2.149 92 N HA -0.177 4.562 4.740 -0.001 0.000 0.188 92 N C 0.187 175.564 175.510 -0.223 0.000 1.019 92 N CA 1.355 54.309 53.050 -0.159 0.000 0.857 92 N CB -0.068 38.354 38.487 -0.108 0.000 0.997 92 N HN 0.374 nan 8.380 nan 0.000 0.426 93 S N -2.445 113.087 115.700 -0.280 0.000 2.252 93 S HA 0.351 4.821 4.470 -0.001 0.000 0.187 93 S C -0.286 174.014 174.600 -0.499 0.000 1.587 93 S CA -0.934 57.068 58.200 -0.332 0.000 1.215 93 S CB 0.959 64.052 63.200 -0.180 0.000 1.085 93 S HN 0.107 nan 8.310 nan 0.000 0.466 94 T N 1.676 115.628 114.554 -1.002 0.000 3.105 94 T HA 0.303 4.653 4.350 -0.001 0.000 0.253 94 T C -0.578 173.538 174.700 -0.973 0.000 1.047 94 T CA 0.122 61.589 62.100 -1.055 0.000 0.944 94 T CB -0.407 67.682 68.868 -1.298 0.000 1.016 94 T HN 0.679 nan 8.240 nan 0.000 0.544 95 F N -0.083 119.756 119.950 -0.186 0.000 2.790 95 F HA 0.277 4.803 4.527 -0.001 0.000 0.347 95 F C 0.971 176.780 175.800 0.016 0.000 1.252 95 F CA -1.657 56.270 58.000 -0.123 0.000 1.109 95 F CB -0.540 38.169 39.000 -0.486 0.000 1.205 95 F HN -0.034 nan 8.300 nan 0.000 0.510 96 D N 0.658 121.099 120.400 0.069 0.000 2.117 96 D HA -0.199 4.441 4.640 -0.001 0.000 0.197 96 D C 1.278 177.638 176.300 0.100 0.000 0.987 96 D CA 1.696 55.735 54.000 0.064 0.000 0.829 96 D CB -0.179 40.618 40.800 -0.006 0.000 0.961 96 D HN 0.437 nan 8.370 nan 0.000 0.460 97 E N -1.312 118.953 120.200 0.107 0.000 2.481 97 E HA 0.059 4.409 4.350 -0.001 0.000 0.195 97 E C 1.253 177.918 176.600 0.107 0.000 1.047 97 E CA -0.288 56.159 56.400 0.078 0.000 0.867 97 E CB -0.346 29.386 29.700 0.053 0.000 0.858 97 E HN 0.301 nan 8.360 nan 0.000 0.513 98 F N 0.647 120.618 119.950 0.035 0.000 2.115 98 F HA -0.309 4.218 4.527 -0.001 0.000 0.300 98 F C 1.861 177.572 175.800 -0.148 0.000 1.092 98 F CA 1.982 60.003 58.000 0.035 0.000 1.245 98 F CB 0.007 39.079 39.000 0.120 0.000 0.995 98 F HN 0.203 nan 8.300 nan 0.000 0.481 99 G N -2.003 106.739 108.800 -0.096 0.000 2.313 99 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.215 99 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.215 99 G C 0.218 174.886 174.900 -0.386 0.000 1.023 99 G CA 0.136 45.003 45.100 -0.388 0.000 0.626 99 G HN 0.528 nan 8.290 nan 0.000 0.503 100 H N 0.942 120.070 119.070 0.095 0.000 2.595 100 H HA 0.653 5.208 4.556 -0.001 0.000 0.346 100 H C 0.109 175.530 175.328 0.156 0.000 1.181 100 H CA 0.131 56.242 56.048 0.104 0.000 1.242 100 H CB 1.581 31.295 29.762 -0.080 0.000 1.652 100 H HN 0.438 nan 8.280 nan 0.000 0.548 101 S N 1.827 117.677 115.700 0.251 0.000 2.499 101 S HA 0.322 4.792 4.470 -0.001 0.000 0.279 101 S C 0.157 174.845 174.600 0.147 0.000 1.219 101 S CA -0.893 57.400 58.200 0.155 0.000 1.062 101 S CB 0.557 63.825 63.200 0.114 0.000 0.978 101 S HN 0.317 nan 8.310 nan 0.000 0.489 102 I N 3.282 123.889 120.570 0.063 0.000 2.325 102 I HA 0.247 4.417 4.170 -0.001 0.000 0.291 102 I C 1.238 177.374 176.117 0.031 0.000 1.019 102 I CA -0.496 60.820 61.300 0.026 0.000 1.302 102 I CB 0.603 38.539 38.000 -0.107 0.000 1.401 102 I HN 0.832 nan 8.210 nan 0.000 0.485 103 N N 3.911 122.631 118.700 0.032 0.000 2.333 103 N HA -0.057 4.682 4.740 -0.001 0.000 0.178 103 N C 0.034 175.522 175.510 -0.037 0.000 1.018 103 N CA 1.151 54.167 53.050 -0.057 0.000 0.882 103 N CB 0.462 38.868 38.487 -0.135 0.000 0.984 103 N HN 0.704 nan 8.380 nan 0.000 0.434 104 D N -2.901 117.526 120.400 0.046 0.000 2.725 104 D HA 0.183 4.823 4.640 -0.001 0.000 0.292 104 D C -1.740 174.690 176.300 0.217 0.000 1.288 104 D CA -0.493 53.571 54.000 0.106 0.000 0.784 104 D CB 0.582 41.400 40.800 0.031 0.000 1.308 104 D HN 0.040 nan 8.370 nan 0.000 0.429 105 Y N -1.410 118.941 120.300 0.085 0.000 2.615 105 Y HA 0.794 5.344 4.550 -0.001 0.000 0.341 105 Y C -1.301 174.715 175.900 0.193 0.000 1.089 105 Y CA -0.933 57.242 58.100 0.125 0.000 1.049 105 Y CB 1.656 40.174 38.460 0.097 0.000 1.296 105 Y HN 0.157 nan 8.280 nan 0.000 0.470 106 S N 2.128 118.018 115.700 0.316 0.000 2.614 106 S HA 0.639 5.109 4.470 -0.001 0.000 0.275 106 S C -1.739 173.196 174.600 0.557 0.000 1.161 106 S CA -0.681 57.722 58.200 0.338 0.000 0.969 106 S CB 0.527 63.967 63.200 0.400 0.000 1.059 106 S HN 0.608 nan 8.310 nan 0.000 0.482 107 I N 4.683 125.447 120.570 0.322 0.000 2.331 107 I HA 0.278 4.447 4.170 -0.001 0.000 0.292 107 I C 1.053 176.965 176.117 -0.342 0.000 0.998 107 I CA -0.416 60.956 61.300 0.120 0.000 1.267 107 I CB 1.177 39.241 38.000 0.106 0.000 1.386 107 I HN 0.792 nan 8.210 nan 0.000 0.476 108 S N 7.050 122.180 115.700 -0.949 0.000 2.563 108 S HA 0.112 4.582 4.470 -0.001 0.000 0.284 108 S C -1.763 172.517 174.600 -0.532 0.000 1.331 108 S CA -0.733 56.574 58.200 -1.488 0.000 1.047 108 S CB 0.350 62.669 63.200 -1.470 0.000 0.859 108 S HN 0.445 nan 8.310 nan 0.000 0.514 109 P HA -0.127 nan 4.420 nan 0.000 0.219 109 P C 0.925 178.171 177.300 -0.089 0.000 1.146 109 P CA 1.502 64.520 63.100 -0.136 0.000 0.808 109 P CB -0.113 31.535 31.700 -0.088 0.000 0.779 110 D N -1.846 118.496 120.400 -0.096 0.000 2.277 110 D HA 0.023 4.663 4.640 -0.001 0.000 0.208 110 D C 1.523 177.814 176.300 -0.015 0.000 0.962 110 D CA 1.210 55.197 54.000 -0.022 0.000 0.865 110 D CB -0.982 39.838 40.800 0.035 0.000 0.939 110 D HN 0.228 nan 8.370 nan 0.000 0.510 111 G N -0.111 108.654 108.800 -0.057 0.000 2.179 111 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.220 111 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.220 111 G C 0.992 175.858 174.900 -0.057 0.000 0.990 111 G CA 0.353 45.434 45.100 -0.033 0.000 0.646 111 G HN 0.430 nan 8.290 nan 0.000 0.517 112 Q N -1.174 118.564 119.800 -0.102 0.000 2.269 112 Q HA 0.359 4.699 4.340 -0.001 0.000 0.201 112 Q C 0.263 175.861 176.000 -0.669 0.000 0.946 112 Q CA 0.721 56.317 55.803 -0.345 0.000 0.877 112 Q CB 0.372 28.915 28.738 -0.325 0.000 0.963 112 Q HN 0.564 nan 8.270 nan 0.000 0.472 113 F N -0.309 119.583 119.950 -0.097 0.000 2.576 113 F HA 0.511 5.038 4.527 -0.001 0.000 0.313 113 F C -0.522 175.338 175.800 0.101 0.000 1.078 113 F CA -1.141 56.876 58.000 0.028 0.000 0.921 113 F CB 1.875 40.932 39.000 0.095 0.000 1.232 113 F HN -0.173 nan 8.300 nan 0.000 0.459 114 I N 3.158 124.016 120.570 0.479 0.000 2.509 114 I HA 0.517 4.687 4.170 -0.001 0.000 0.293 114 I C -1.794 174.689 176.117 0.610 0.000 1.020 114 I CA -1.123 60.474 61.300 0.495 0.000 1.088 114 I CB 1.712 39.936 38.000 0.374 0.000 1.267 114 I HN 0.509 nan 8.210 nan 0.000 0.430 115 L N 8.228 129.838 121.223 0.645 0.000 2.282 115 L HA 0.525 4.865 4.340 -0.001 0.000 0.288 115 L C -1.382 175.714 176.870 0.376 0.000 1.033 115 L CA -0.258 54.874 54.840 0.488 0.000 0.807 115 L CB 1.262 43.536 42.059 0.359 0.000 1.209 115 L HN 0.456 nan 8.230 nan 0.000 0.423 116 L N 4.835 126.247 121.223 0.314 0.000 2.296 116 L HA 0.491 4.831 4.340 -0.001 0.000 0.286 116 L C -0.078 176.936 176.870 0.239 0.000 1.023 116 L CA -0.448 54.497 54.840 0.175 0.000 0.812 116 L CB 1.652 43.676 42.059 -0.058 0.000 1.223 116 L HN 0.654 nan 8.230 nan 0.000 0.421 117 E N 4.085 124.378 120.200 0.155 0.000 2.156 117 E HA 0.446 4.796 4.350 -0.001 0.000 0.279 117 E C -1.588 175.063 176.600 0.085 0.000 0.965 117 E CA -0.441 55.935 56.400 -0.040 0.000 0.789 117 E CB 1.177 30.897 29.700 0.034 0.000 1.098 117 E HN 0.446 nan 8.360 nan 0.000 0.397 118 Y N 1.704 121.863 120.300 -0.235 0.000 2.829 118 Y HA 0.420 4.970 4.550 -0.001 0.000 0.322 118 Y C -0.142 175.698 175.900 -0.100 0.000 1.357 118 Y CA -1.592 56.448 58.100 -0.100 0.000 1.081 118 Y CB 0.182 38.624 38.460 -0.028 0.000 1.339 118 Y HN 0.503 nan 8.280 nan 0.000 0.469 119 N N -0.563 118.126 118.700 -0.018 0.000 2.708 119 N HA -0.303 4.436 4.740 -0.001 0.000 0.249 119 N C -0.915 174.572 175.510 -0.038 0.000 1.097 119 N CA 1.069 54.068 53.050 -0.085 0.000 0.710 119 N CB -1.692 36.616 38.487 -0.299 0.000 1.032 119 N HN 0.840 nan 8.380 nan 0.000 0.551 120 Y N -0.036 120.212 120.300 -0.086 0.000 2.620 120 Y HA 0.288 4.837 4.550 -0.001 0.000 0.330 120 Y C 0.034 175.919 175.900 -0.025 0.000 1.186 120 Y CA 0.019 58.080 58.100 -0.064 0.000 1.467 120 Y CB 0.714 39.094 38.460 -0.132 0.000 1.262 120 Y HN -0.031 nan 8.280 nan 0.000 0.550 121 V N 7.956 127.495 119.914 -0.624 0.000 2.532 121 V HA 0.186 4.306 4.120 -0.001 0.000 0.294 121 V C -0.417 175.278 176.094 -0.666 0.000 1.036 121 V CA -1.410 60.575 62.300 -0.525 0.000 0.876 121 V CB 1.395 33.080 31.823 -0.230 0.000 1.012 121 V HN 0.776 nan 8.190 nan 0.000 0.432 122 K N 3.601 123.588 120.400 -0.688 0.000 2.382 122 K HA 0.234 4.554 4.320 -0.001 0.000 0.275 122 K C 0.452 176.884 176.600 -0.280 0.000 1.009 122 K CA 0.205 56.262 56.287 -0.383 0.000 0.970 122 K CB 1.268 33.710 32.500 -0.097 0.000 0.934 122 K HN 0.824 nan 8.250 nan 0.000 0.479 123 Q N 3.164 122.787 119.800 -0.295 0.000 2.429 123 Q HA 0.157 4.497 4.340 -0.001 0.000 0.230 123 Q C 0.017 175.742 176.000 -0.458 0.000 0.970 123 Q CA -0.272 55.161 55.803 -0.617 0.000 0.778 123 Q CB 0.085 28.328 28.738 -0.825 0.000 2.016 123 Q HN 0.730 nan 8.270 nan 0.000 0.543 124 W N -0.050 121.237 121.300 -0.022 0.000 1.836 124 W HA 0.409 5.069 4.660 -0.001 0.000 0.639 124 W C 1.897 178.391 176.519 -0.041 0.000 1.404 124 W CA -0.743 56.611 57.345 0.015 0.000 1.272 124 W CB -0.202 29.229 29.460 -0.050 0.000 3.422 124 W HN 0.211 nan 8.180 nan 0.000 0.765 125 R N -0.578 120.004 120.500 0.137 0.000 2.092 125 R HA -0.126 4.214 4.340 -0.001 0.000 0.231 125 R C 1.702 177.829 176.300 -0.288 0.000 1.119 125 R CA 1.664 57.670 56.100 -0.156 0.000 0.970 125 R CB -0.316 29.754 30.300 -0.384 0.000 0.864 125 R HN 0.493 nan 8.270 nan 0.000 0.440 126 H N -1.412 117.725 119.070 0.111 0.000 2.800 126 H HA 0.144 4.700 4.556 -0.000 0.000 0.257 126 H C 0.637 176.057 175.328 0.153 0.000 0.967 126 H CA 0.466 56.605 56.048 0.152 0.000 1.192 126 H CB 0.140 29.967 29.762 0.108 0.000 1.441 126 H HN 0.119 nan 8.280 nan 0.000 0.461 127 S N 1.472 117.154 115.700 -0.029 0.000 2.572 127 S HA 0.318 4.788 4.470 -0.001 0.000 0.279 127 S C -0.236 174.285 174.600 -0.133 0.000 1.341 127 S CA -0.399 57.479 58.200 -0.537 0.000 1.043 127 S CB 0.448 62.803 63.200 -1.410 0.000 0.887 127 S HN 0.456 nan 8.310 nan 0.000 0.516 128 Y N -2.380 117.835 120.300 -0.142 0.000 2.741 128 Y HA 0.697 5.247 4.550 -0.001 0.000 0.339 128 Y C -0.873 175.055 175.900 0.046 0.000 1.226 128 Y CA -1.152 56.878 58.100 -0.117 0.000 1.072 128 Y CB 0.763 39.176 38.460 -0.078 0.000 1.331 128 Y HN 0.611 nan 8.280 nan 0.000 0.453 129 T N 1.448 116.092 114.554 0.150 0.000 2.912 129 T HA 0.938 5.288 4.350 -0.001 0.000 0.288 129 T C -0.974 173.844 174.700 0.197 0.000 1.030 129 T CA 0.118 62.300 62.100 0.137 0.000 1.020 129 T CB 1.324 70.204 68.868 0.021 0.000 1.056 129 T HN 1.245 nan 8.240 nan 0.000 0.480 130 A N 1.513 124.432 122.820 0.165 0.000 2.586 130 A HA 0.750 5.070 4.320 -0.001 0.000 0.290 130 A C -0.881 176.537 177.584 -0.278 0.000 1.086 130 A CA -0.714 51.282 52.037 -0.069 0.000 0.665 130 A CB 1.232 20.179 19.000 -0.088 0.000 1.279 130 A HN 0.638 nan 8.150 nan 0.000 0.423 131 S N -0.482 114.815 115.700 -0.672 0.000 2.578 131 S HA 0.778 5.248 4.470 -0.001 0.000 0.283 131 S C -1.502 172.508 174.600 -0.982 0.000 1.195 131 S CA 0.004 57.722 58.200 -0.803 0.000 1.050 131 S CB 0.492 62.897 63.200 -1.326 0.000 1.012 131 S HN 0.432 nan 8.310 nan 0.000 0.511 132 Y N 0.420 120.557 120.300 -0.271 0.000 2.457 132 Y HA 0.448 4.998 4.550 -0.001 0.000 0.343 132 Y C -0.507 175.439 175.900 0.077 0.000 0.994 132 Y CA -0.997 57.079 58.100 -0.040 0.000 1.031 132 Y CB 1.728 40.098 38.460 -0.149 0.000 1.246 132 Y HN 0.467 nan 8.280 nan 0.000 0.449 133 D N 2.840 123.458 120.400 0.362 0.000 2.646 133 D HA 0.538 5.177 4.640 -0.001 0.000 0.245 133 D C -0.824 175.629 176.300 0.254 0.000 1.099 133 D CA -0.302 53.856 54.000 0.263 0.000 0.849 133 D CB 2.359 43.381 40.800 0.371 0.000 1.448 133 D HN 0.388 nan 8.370 nan 0.000 0.489 134 I N 1.852 122.511 120.570 0.148 0.000 2.412 134 I HA 0.329 4.499 4.170 -0.001 0.000 0.296 134 I C -0.743 175.504 176.117 0.217 0.000 0.987 134 I CA -0.755 60.694 61.300 0.250 0.000 1.180 134 I CB 1.031 39.135 38.000 0.174 0.000 1.340 134 I HN 0.171 nan 8.210 nan 0.000 0.455 135 Y N 3.021 123.514 120.300 0.323 0.000 2.409 135 Y HA 0.231 4.780 4.550 -0.001 0.000 0.343 135 Y C 0.114 176.192 175.900 0.297 0.000 0.973 135 Y CA -0.756 57.506 58.100 0.270 0.000 1.064 135 Y CB 1.549 40.125 38.460 0.194 0.000 1.207 135 Y HN 0.467 nan 8.280 nan 0.000 0.452 136 D N 3.805 124.399 120.400 0.324 0.000 2.358 136 D HA 0.011 4.651 4.640 -0.001 0.000 0.258 136 D C 0.768 177.041 176.300 -0.045 0.000 1.223 136 D CA 0.538 54.501 54.000 -0.061 0.000 0.886 136 D CB 1.067 41.841 40.800 -0.044 0.000 1.120 136 D HN 0.734 nan 8.370 nan 0.000 0.482 137 L N 4.032 125.149 121.223 -0.177 0.000 2.093 137 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 137 L C 1.774 178.586 176.870 -0.097 0.000 1.085 137 L CA 0.988 55.786 54.840 -0.069 0.000 0.755 137 L CB -0.075 41.972 42.059 -0.020 0.000 0.904 137 L HN 0.461 nan 8.230 nan 0.000 0.435 138 N N -0.755 117.864 118.700 -0.135 0.000 2.333 138 N HA -0.113 4.627 4.740 -0.001 0.000 0.178 138 N C 1.424 176.888 175.510 -0.077 0.000 1.018 138 N CA 0.660 53.651 53.050 -0.099 0.000 0.882 138 N CB 0.221 38.649 38.487 -0.099 0.000 0.984 138 N HN 0.208 nan 8.380 nan 0.000 0.434 139 K N 1.093 121.454 120.400 -0.066 0.000 2.379 139 K HA 0.108 4.427 4.320 -0.001 0.000 0.194 139 K C -0.201 176.402 176.600 0.006 0.000 1.031 139 K CA -0.007 56.263 56.287 -0.028 0.000 1.037 139 K CB 0.261 32.752 32.500 -0.014 0.000 0.824 139 K HN 0.195 nan 8.250 nan 0.000 0.516 140 R N 1.695 122.207 120.500 0.020 0.000 3.225 140 R HA -0.246 4.093 4.340 -0.001 0.000 0.245 140 R C -0.899 175.540 176.300 0.231 0.000 0.928 140 R CA 0.760 56.918 56.100 0.098 0.000 0.632 140 R CB -2.543 27.736 30.300 -0.035 0.000 1.038 140 R HN 0.428 nan 8.270 nan 0.000 0.461 141 Q N 0.587 120.533 119.800 0.245 0.000 2.394 141 Q HA 0.555 4.895 4.340 -0.001 0.000 0.273 141 Q C -0.726 175.330 176.000 0.093 0.000 1.089 141 Q CA -1.405 54.521 55.803 0.205 0.000 0.812 141 Q CB 1.631 30.426 28.738 0.095 0.000 1.353 141 Q HN 0.258 nan 8.270 nan 0.000 0.438 142 L N 2.551 123.702 121.223 -0.120 0.000 2.453 142 L HA 0.275 4.614 4.340 -0.001 0.000 0.272 142 L C -0.896 175.875 176.870 -0.165 0.000 1.182 142 L CA 0.228 54.798 54.840 -0.449 0.000 0.858 142 L CB 0.420 42.253 42.059 -0.377 0.000 1.120 142 L HN 0.714 nan 8.230 nan 0.000 0.474 143 I N 4.713 125.206 120.570 -0.129 0.000 2.363 143 I HA 0.087 4.257 4.170 -0.001 0.000 0.292 143 I C 1.298 177.375 176.117 -0.067 0.000 1.075 143 I CA 0.313 61.594 61.300 -0.033 0.000 1.333 143 I CB 0.971 38.987 38.000 0.026 0.000 1.415 143 I HN 0.861 nan 8.210 nan 0.000 0.502 144 T N 1.592 116.114 114.554 -0.054 0.000 3.067 144 T HA 0.079 4.428 4.350 -0.001 0.000 0.257 144 T C 0.594 175.258 174.700 -0.059 0.000 1.105 144 T CA -0.099 61.965 62.100 -0.060 0.000 1.104 144 T CB -0.121 68.719 68.868 -0.047 0.000 0.925 144 T HN 0.577 nan 8.240 nan 0.000 0.498 145 E N 1.575 121.744 120.200 -0.051 0.000 2.248 145 E HA 0.214 4.563 4.350 -0.001 0.000 0.272 145 E C -0.652 175.903 176.600 -0.074 0.000 1.008 145 E CA -0.715 55.651 56.400 -0.057 0.000 0.856 145 E CB 0.772 30.448 29.700 -0.041 0.000 1.120 145 E HN 0.134 nan 8.360 nan 0.000 0.397 146 E N 0.909 121.057 120.200 -0.087 0.000 2.183 146 E HA -0.231 4.118 4.350 -0.001 0.000 0.196 146 E C -0.614 175.904 176.600 -0.137 0.000 1.364 146 E CA 0.714 57.048 56.400 -0.110 0.000 0.700 146 E CB -1.356 28.288 29.700 -0.092 0.000 1.106 146 E HN 0.497 nan 8.360 nan 0.000 0.347 147 R N 0.050 120.455 120.500 -0.157 0.000 2.594 147 R HA 0.355 4.695 4.340 -0.001 0.000 0.272 147 R C 1.183 177.303 176.300 -0.299 0.000 1.074 147 R CA -0.553 55.436 56.100 -0.185 0.000 1.105 147 R CB 0.571 30.780 30.300 -0.151 0.000 1.008 147 R HN 0.174 nan 8.270 nan 0.000 0.472 148 I N 4.097 124.455 120.570 -0.352 0.000 2.775 148 I HA -0.011 4.159 4.170 -0.001 0.000 0.290 148 I C -1.720 174.078 176.117 -0.532 0.000 1.203 148 I CA -1.399 59.529 61.300 -0.619 0.000 1.433 148 I CB 0.167 37.825 38.000 -0.570 0.000 1.354 148 I HN 0.309 nan 8.210 nan 0.000 0.579 149 P HA 0.135 nan 4.420 nan 0.000 0.274 149 P C -0.824 176.273 177.300 -0.339 0.000 1.237 149 P CA -0.482 62.222 63.100 -0.660 0.000 0.793 149 P CB 0.415 31.282 31.700 -1.387 0.000 0.977 150 N N 1.228 119.809 118.700 -0.197 0.000 2.399 150 N HA 0.019 4.758 4.740 -0.001 0.000 0.250 150 N C 0.267 175.851 175.510 0.125 0.000 1.272 150 N CA 0.194 53.199 53.050 -0.076 0.000 0.928 150 N CB -0.561 37.887 38.487 -0.064 0.000 1.158 150 N HN 0.437 nan 8.380 nan 0.000 0.463 151 N N -1.829 116.932 118.700 0.101 0.000 2.747 151 N HA -0.169 4.571 4.740 -0.001 0.000 0.249 151 N C -0.972 174.723 175.510 0.308 0.000 1.107 151 N CA 0.523 53.675 53.050 0.170 0.000 0.707 151 N CB -1.305 37.281 38.487 0.164 0.000 1.054 151 N HN 0.432 nan 8.380 nan 0.000 0.555 152 T N 0.454 115.194 114.554 0.310 0.000 2.870 152 T HA 0.079 4.429 4.350 -0.001 0.000 0.300 152 T C 1.385 176.264 174.700 0.298 0.000 0.989 152 T CA 0.050 62.355 62.100 0.341 0.000 1.139 152 T CB 1.116 70.095 68.868 0.185 0.000 0.920 152 T HN 0.178 nan 8.240 nan 0.000 0.537 153 Q N 1.880 121.842 119.800 0.270 0.000 2.398 153 Q HA 0.176 4.516 4.340 -0.001 0.000 0.204 153 Q C 0.044 176.243 176.000 0.331 0.000 0.932 153 Q CA 0.200 56.174 55.803 0.284 0.000 0.916 153 Q CB 0.815 29.699 28.738 0.243 0.000 1.024 153 Q HN 0.693 nan 8.270 nan 0.000 0.504 154 W N -0.676 120.601 121.300 -0.038 0.000 3.546 154 W HA 0.377 5.037 4.660 -0.001 0.000 0.291 154 W C -2.465 173.955 176.519 -0.165 0.000 1.199 154 W CA -0.681 56.586 57.345 -0.130 0.000 1.159 154 W CB 0.773 30.112 29.460 -0.202 0.000 1.333 154 W HN -0.301 nan 8.180 nan 0.000 0.570 155 V N 4.086 123.353 119.914 -1.078 0.000 3.012 155 V HA 0.826 4.946 4.120 -0.001 0.000 0.307 155 V C -1.537 173.968 176.094 -0.982 0.000 1.166 155 V CA -0.005 61.786 62.300 -0.848 0.000 0.974 155 V CB 2.266 33.520 31.823 -0.948 0.000 1.040 155 V HN 0.629 nan 8.190 nan 0.000 0.428 156 T N 5.308 119.574 114.554 -0.479 0.000 3.105 156 T HA 0.496 4.846 4.350 -0.001 0.000 0.321 156 T C -1.366 173.353 174.700 0.033 0.000 1.135 156 T CA -0.303 61.675 62.100 -0.203 0.000 1.053 156 T CB 0.807 69.756 68.868 0.135 0.000 1.133 156 T HN 0.718 nan 8.240 nan 0.000 0.463 157 W N 3.549 124.876 121.300 0.045 0.000 2.170 157 W HA 0.432 5.092 4.660 -0.001 0.000 0.336 157 W C 1.282 177.585 176.519 -0.361 0.000 1.283 157 W CA -0.630 56.673 57.345 -0.070 0.000 1.224 157 W CB 0.641 30.069 29.460 -0.053 0.000 1.132 157 W HN 0.818 nan 8.180 nan 0.000 0.571 158 S N 1.955 117.277 115.700 -0.631 0.000 2.576 158 S HA 0.053 4.523 4.470 -0.001 0.000 0.272 158 S C -1.812 172.498 174.600 -0.484 0.000 1.352 158 S CA -0.930 56.396 58.200 -1.457 0.000 1.021 158 S CB 0.688 62.992 63.200 -1.493 0.000 0.887 158 S HN 0.301 nan 8.310 nan 0.000 0.542 159 P HA 0.050 nan 4.420 nan 0.000 0.225 159 P C 0.250 177.492 177.300 -0.096 0.000 1.148 159 P CA 0.722 63.770 63.100 -0.086 0.000 0.779 159 P CB -0.160 31.533 31.700 -0.012 0.000 0.780 160 V N -6.847 112.965 119.914 -0.170 0.000 3.114 160 V HA 0.873 4.992 4.120 -0.001 0.000 0.308 160 V C 0.313 176.295 176.094 -0.187 0.000 1.168 160 V CA -0.239 61.980 62.300 -0.135 0.000 1.015 160 V CB 1.262 33.026 31.823 -0.098 0.000 1.050 160 V HN 0.364 nan 8.190 nan 0.000 0.433 161 G N 2.512 111.222 108.800 -0.150 0.000 2.527 161 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.268 161 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.268 161 G C 0.231 175.037 174.900 -0.157 0.000 1.175 161 G CA 0.888 45.863 45.100 -0.209 0.000 0.962 161 G HN 2.637 nan 8.290 nan 0.000 0.560 162 H N -0.640 118.410 119.070 -0.033 0.000 3.233 162 H HA 0.411 4.967 4.556 -0.001 0.000 0.232 162 H C 0.234 175.687 175.328 0.208 0.000 1.322 162 H CA -0.157 55.918 56.048 0.045 0.000 1.043 162 H CB -0.278 29.525 29.762 0.070 0.000 2.572 162 H HN 0.522 nan 8.280 nan 0.000 0.597 163 K N 1.221 121.652 120.400 0.051 0.000 2.219 163 K HA 0.342 4.662 4.320 -0.001 0.000 0.258 163 K C -0.660 176.066 176.600 0.210 0.000 1.008 163 K CA -0.670 55.662 56.287 0.075 0.000 0.928 163 K CB 1.204 33.605 32.500 -0.164 0.000 0.983 163 K HN -0.025 nan 8.250 nan 0.000 0.484 164 L N 1.250 122.618 121.223 0.242 0.000 2.385 164 L HA 0.485 4.825 4.340 -0.001 0.000 0.273 164 L C -0.999 176.066 176.870 0.326 0.000 0.990 164 L CA -0.419 54.512 54.840 0.153 0.000 0.821 164 L CB 1.572 43.614 42.059 -0.029 0.000 1.279 164 L HN 0.781 nan 8.230 nan 0.000 0.412 165 A N 4.158 127.178 122.820 0.333 0.000 2.330 165 A HA 0.779 5.098 4.320 -0.001 0.000 0.313 165 A C -1.570 176.032 177.584 0.031 0.000 1.124 165 A CA -0.386 51.730 52.037 0.131 0.000 0.774 165 A CB 0.805 19.813 19.000 0.014 0.000 1.198 165 A HN 0.640 nan 8.150 nan 0.000 0.465 166 Y N -0.087 120.179 120.300 -0.057 0.000 2.553 166 Y HA 0.756 5.305 4.550 -0.001 0.000 0.347 166 Y C -1.177 174.747 175.900 0.040 0.000 1.019 166 Y CA -1.679 56.363 58.100 -0.097 0.000 1.032 166 Y CB 1.121 39.450 38.460 -0.217 0.000 1.284 166 Y HN 0.345 nan 8.280 nan 0.000 0.466 167 V N 2.701 122.778 119.914 0.271 0.000 2.417 167 V HA 0.366 4.486 4.120 -0.001 0.000 0.291 167 V C -1.348 174.992 176.094 0.409 0.000 1.024 167 V CA -0.579 61.861 62.300 0.233 0.000 0.861 167 V CB 1.143 33.019 31.823 0.087 0.000 0.985 167 V HN 0.885 nan 8.190 nan 0.000 0.436 168 W N 4.815 126.245 121.300 0.217 0.000 3.097 168 W HA 0.449 5.108 4.660 -0.001 0.000 0.335 168 W C 0.351 176.944 176.519 0.122 0.000 1.114 168 W CA -0.773 56.664 57.345 0.153 0.000 1.231 168 W CB 1.268 30.791 29.460 0.105 0.000 1.388 168 W HN 0.770 nan 8.180 nan 0.000 0.485 169 N N 5.139 123.441 118.700 -0.664 0.000 2.708 169 N HA -0.367 4.372 4.740 -0.001 0.000 0.249 169 N C 0.206 175.550 175.510 -0.277 0.000 1.097 169 N CA 1.177 53.857 53.050 -0.616 0.000 0.710 169 N CB -1.053 36.863 38.487 -0.951 0.000 1.032 169 N HN 0.843 nan 8.380 nan 0.000 0.551 170 N N -1.980 116.628 118.700 -0.153 0.000 2.948 170 N HA -0.159 4.581 4.740 -0.001 0.000 0.239 170 N C -1.309 174.134 175.510 -0.112 0.000 0.954 170 N CA 1.002 53.983 53.050 -0.115 0.000 0.941 170 N CB -0.344 38.027 38.487 -0.193 0.000 1.101 170 N HN 0.396 nan 8.380 nan 0.000 0.579 171 D N 0.516 120.865 120.400 -0.086 0.000 2.350 171 D HA 0.507 5.146 4.640 -0.001 0.000 0.238 171 D C 0.147 176.305 176.300 -0.236 0.000 0.989 171 D CA -0.339 53.530 54.000 -0.218 0.000 0.921 171 D CB 1.621 42.217 40.800 -0.340 0.000 1.297 171 D HN 0.030 nan 8.370 nan 0.000 0.490 172 I N 1.374 121.640 120.570 -0.508 0.000 2.396 172 I HA 0.254 4.424 4.170 -0.001 0.000 0.292 172 I C -0.664 175.002 176.117 -0.752 0.000 0.999 172 I CA -0.423 60.568 61.300 -0.515 0.000 1.310 172 I CB 0.617 38.231 38.000 -0.643 0.000 1.404 172 I HN 0.164 nan 8.210 nan 0.000 0.496 173 Y N 3.879 123.811 120.300 -0.615 0.000 2.512 173 Y HA 0.634 5.184 4.550 -0.001 0.000 0.348 173 Y C -0.476 175.069 175.900 -0.592 0.000 0.990 173 Y CA -0.959 56.730 58.100 -0.686 0.000 1.033 173 Y CB 2.177 39.962 38.460 -1.124 0.000 1.259 173 Y HN 0.105 nan 8.280 nan 0.000 0.461 174 V N 2.901 122.741 119.914 -0.123 0.000 2.588 174 V HA 0.411 4.530 4.120 -0.001 0.000 0.304 174 V C -0.797 175.409 176.094 0.188 0.000 1.042 174 V CA -1.341 60.985 62.300 0.044 0.000 0.877 174 V CB 1.914 33.797 31.823 0.101 0.000 0.996 174 V HN 0.617 nan 8.190 nan 0.000 0.425 175 K N 4.419 124.939 120.400 0.200 0.000 2.316 175 K HA 0.476 4.795 4.320 -0.001 0.000 0.267 175 K C 0.378 177.114 176.600 0.226 0.000 1.025 175 K CA -0.675 55.730 56.287 0.197 0.000 0.896 175 K CB 1.575 34.161 32.500 0.144 0.000 1.124 175 K HN 0.459 nan 8.250 nan 0.000 0.451 176 I N 1.318 122.044 120.570 0.261 0.000 2.353 176 I HA -0.080 4.090 4.170 -0.001 0.000 0.248 176 I C 0.528 176.762 176.117 0.194 0.000 1.119 176 I CA 1.457 62.883 61.300 0.210 0.000 1.417 176 I CB -0.196 37.934 38.000 0.216 0.000 1.078 176 I HN 0.541 nan 8.210 nan 0.000 0.421 177 E N 0.049 120.346 120.200 0.162 0.000 2.238 177 E HA 0.278 4.628 4.350 -0.001 0.000 0.267 177 E C -1.892 174.694 176.600 -0.024 0.000 0.887 177 E CA -1.983 54.475 56.400 0.098 0.000 0.769 177 E CB 1.757 31.509 29.700 0.087 0.000 1.187 177 E HN -0.122 nan 8.360 nan 0.000 0.416 178 P HA -0.145 nan 4.420 nan 0.000 0.218 178 P C 0.724 177.947 177.300 -0.128 0.000 1.148 178 P CA 1.395 64.360 63.100 -0.224 0.000 0.822 178 P CB 0.144 31.518 31.700 -0.543 0.000 0.784 179 N N -1.694 116.945 118.700 -0.102 0.000 2.336 179 N HA 0.058 4.798 4.740 -0.001 0.000 0.189 179 N C 0.187 175.675 175.510 -0.037 0.000 1.113 179 N CA -0.084 52.937 53.050 -0.048 0.000 0.858 179 N CB -0.176 38.304 38.487 -0.012 0.000 0.970 179 N HN 0.087 nan 8.380 nan 0.000 0.471 180 L N 0.654 121.858 121.223 -0.032 0.000 2.344 180 L HA 0.534 4.874 4.340 -0.001 0.000 0.272 180 L C -2.255 174.571 176.870 -0.073 0.000 1.035 180 L CA -2.448 52.370 54.840 -0.035 0.000 0.807 180 L CB 1.164 43.224 42.059 0.002 0.000 1.237 180 L HN -0.174 nan 8.230 nan 0.000 0.442 181 P HA -0.011 nan 4.420 nan 0.000 0.265 181 P C -0.740 176.413 177.300 -0.244 0.000 1.187 181 P CA 0.182 63.181 63.100 -0.168 0.000 0.766 181 P CB 0.450 32.032 31.700 -0.195 0.000 0.820 182 S N 1.603 117.213 115.700 -0.151 0.000 2.584 182 S HA 0.282 4.752 4.470 -0.001 0.000 0.273 182 S C -0.411 174.083 174.600 -0.176 0.000 1.311 182 S CA -0.151 58.002 58.200 -0.078 0.000 1.034 182 S CB -0.038 63.204 63.200 0.069 0.000 0.939 182 S HN 0.241 nan 8.310 nan 0.000 0.513 183 Y N 1.126 121.446 120.300 0.032 0.000 2.326 183 Y HA 0.351 4.901 4.550 -0.001 0.000 0.337 183 Y C 0.914 176.745 175.900 -0.116 0.000 1.023 183 Y CA -0.554 57.546 58.100 -0.001 0.000 1.143 183 Y CB 0.633 39.092 38.460 -0.002 0.000 1.183 183 Y HN 0.432 nan 8.280 nan 0.000 0.485 184 R N 4.371 124.824 120.500 -0.079 0.000 2.248 184 R HA 0.182 4.521 4.340 -0.001 0.000 0.328 184 R C 0.332 176.344 176.300 -0.481 0.000 1.067 184 R CA -0.048 55.694 56.100 -0.596 0.000 0.924 184 R CB 0.341 30.060 30.300 -0.967 0.000 1.013 184 R HN 0.801 nan 8.270 nan 0.000 0.454 185 I N 2.076 122.302 120.570 -0.572 0.000 2.277 185 I HA -0.089 4.081 4.170 -0.001 0.000 0.243 185 I C 1.380 177.273 176.117 -0.372 0.000 1.094 185 I CA 1.230 62.307 61.300 -0.372 0.000 1.393 185 I CB -0.896 36.851 38.000 -0.422 0.000 1.078 185 I HN 0.542 nan 8.210 nan 0.000 0.417 186 T N -3.573 110.621 114.554 -0.600 0.000 2.932 186 T HA 0.395 4.745 4.350 -0.001 0.000 0.289 186 T C -0.563 173.809 174.700 -0.548 0.000 1.039 186 T CA -0.528 61.329 62.100 -0.405 0.000 1.024 186 T CB 1.994 70.629 68.868 -0.387 0.000 1.090 186 T HN 0.228 nan 8.240 nan 0.000 0.496 187 W N 0.031 121.222 121.300 -0.181 0.000 2.304 187 W HA 0.250 4.910 4.660 -0.000 0.000 0.326 187 W C 1.744 178.209 176.519 -0.090 0.000 0.920 187 W CA -0.171 57.102 57.345 -0.120 0.000 1.518 187 W CB 0.216 29.625 29.460 -0.085 0.000 1.112 187 W HN 0.925 nan 8.180 nan 0.000 0.528 188 T N -2.903 111.693 114.554 0.070 0.000 3.069 188 T HA 0.304 4.654 4.350 -0.001 0.000 0.252 188 T C 1.166 175.858 174.700 -0.012 0.000 1.053 188 T CA 0.133 62.256 62.100 0.039 0.000 0.964 188 T CB -0.056 68.833 68.868 0.035 0.000 1.005 188 T HN 0.000 nan 8.240 nan 0.000 0.532 189 G N 1.419 110.183 108.800 -0.061 0.000 2.265 189 G HA2 0.351 4.310 3.960 -0.001 0.000 0.240 189 G HA3 0.351 4.310 3.960 -0.001 0.000 0.240 189 G C -0.614 174.221 174.900 -0.107 0.000 1.270 189 G CA -0.346 44.693 45.100 -0.102 0.000 0.901 189 G HN 0.578 nan 8.290 nan 0.000 0.507 190 K N 2.094 122.409 120.400 -0.142 0.000 2.588 190 K HA 0.192 4.512 4.320 -0.001 0.000 0.250 190 K C -0.118 176.358 176.600 -0.207 0.000 0.972 190 K CA -0.689 55.516 56.287 -0.137 0.000 0.821 190 K CB 1.526 33.982 32.500 -0.074 0.000 1.249 190 K HN 0.617 nan 8.250 nan 0.000 0.442 191 E N 3.314 123.400 120.200 -0.190 0.000 2.765 191 E HA -0.180 4.170 4.350 -0.001 0.000 0.256 191 E C -0.595 175.911 176.600 -0.157 0.000 0.935 191 E CA 1.122 57.408 56.400 -0.191 0.000 0.954 191 E CB 0.200 29.826 29.700 -0.124 0.000 0.908 191 E HN 0.661 nan 8.360 nan 0.000 0.500 192 D N 2.270 122.555 120.400 -0.191 0.000 2.978 192 D HA -0.242 4.397 4.640 -0.001 0.000 0.205 192 D C 0.444 176.783 176.300 0.065 0.000 1.093 192 D CA 1.638 55.660 54.000 0.037 0.000 1.006 192 D CB -1.003 39.846 40.800 0.082 0.000 1.116 192 D HN 0.534 nan 8.370 nan 0.000 0.419 193 I N -1.134 119.388 120.570 -0.079 0.000 3.650 193 I HA 0.166 4.335 4.170 -0.001 0.000 0.261 193 I C 0.459 176.625 176.117 0.083 0.000 1.154 193 I CA 0.018 61.346 61.300 0.047 0.000 1.418 193 I CB 0.584 38.592 38.000 0.014 0.000 1.539 193 I HN -0.206 nan 8.210 nan 0.000 0.449 194 I N 0.552 121.076 120.570 -0.078 0.000 2.436 194 I HA 0.251 4.421 4.170 -0.001 0.000 0.289 194 I C -1.541 174.516 176.117 -0.101 0.000 1.010 194 I CA -0.354 60.967 61.300 0.036 0.000 1.098 194 I CB 1.462 39.488 38.000 0.043 0.000 1.266 194 I HN -0.057 nan 8.210 nan 0.000 0.434 195 Y N 4.864 125.256 120.300 0.153 0.000 2.334 195 Y HA 0.461 5.010 4.550 -0.001 0.000 0.336 195 Y C -0.008 175.958 175.900 0.110 0.000 0.960 195 Y CA -1.019 57.177 58.100 0.160 0.000 1.164 195 Y CB 0.817 39.453 38.460 0.293 0.000 1.155 195 Y HN 0.421 nan 8.280 nan 0.000 0.478 196 N N 2.207 120.971 118.700 0.106 0.000 2.444 196 N HA 0.350 5.089 4.740 -0.001 0.000 0.262 196 N C 0.900 176.362 175.510 -0.079 0.000 0.974 196 N CA 0.456 53.499 53.050 -0.012 0.000 0.933 196 N CB 1.824 40.202 38.487 -0.182 0.000 1.137 196 N HN 0.976 nan 8.380 nan 0.000 0.498 197 G N 1.547 110.325 108.800 -0.036 0.000 2.179 197 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.260 197 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.260 197 G C 0.123 174.925 174.900 -0.165 0.000 0.977 197 G CA 0.777 45.805 45.100 -0.119 0.000 0.641 197 G HN 0.663 nan 8.290 nan 0.000 0.533 198 I N -1.984 118.554 120.570 -0.053 0.000 2.969 198 I HA 0.811 4.981 4.170 -0.001 0.000 0.307 198 I C 0.269 176.463 176.117 0.129 0.000 1.149 198 I CA -0.690 60.468 61.300 -0.237 0.000 1.008 198 I CB 1.987 39.644 38.000 -0.573 0.000 1.232 198 I HN 0.164 nan 8.210 nan 0.000 0.435 199 T N -0.568 113.968 114.554 -0.029 0.000 2.918 199 T HA 0.396 4.745 4.350 -0.001 0.000 0.283 199 T C -0.185 174.289 174.700 -0.377 0.000 1.001 199 T CA -0.647 61.233 62.100 -0.368 0.000 1.041 199 T CB 1.366 70.061 68.868 -0.288 0.000 1.028 199 T HN 0.767 nan 8.240 nan 0.000 0.511 200 D N 0.129 120.021 120.400 -0.846 0.000 2.478 200 D HA 0.036 4.675 4.640 -0.001 0.000 0.274 200 D C 0.985 177.166 176.300 -0.197 0.000 1.234 200 D CA -1.060 52.477 54.000 -0.771 0.000 1.069 200 D CB 0.017 40.315 40.800 -0.837 0.000 1.113 200 D HN 0.702 nan 8.370 nan 0.000 0.571 201 W N -0.168 121.033 121.300 -0.164 0.000 2.333 201 W HA -0.179 4.480 4.660 -0.001 0.000 0.316 201 W C 2.132 178.502 176.519 -0.248 0.000 1.215 201 W CA 1.987 59.230 57.345 -0.171 0.000 1.278 201 W CB -0.389 28.918 29.460 -0.255 0.000 1.154 201 W HN 0.163 nan 8.180 nan 0.000 0.486 202 V N -0.167 119.789 119.914 0.069 0.000 2.667 202 V HA -0.254 3.866 4.120 -0.001 0.000 0.252 202 V C 1.740 177.599 176.094 -0.392 0.000 1.065 202 V CA 1.769 63.994 62.300 -0.124 0.000 1.083 202 V CB -0.666 31.093 31.823 -0.107 0.000 0.692 202 V HN 0.289 nan 8.190 nan 0.000 0.468 203 Y N 0.614 120.620 120.300 -0.490 0.000 2.263 203 Y HA -0.139 4.410 4.550 -0.000 0.000 0.292 203 Y C 2.551 178.145 175.900 -0.510 0.000 1.130 203 Y CA 2.042 59.746 58.100 -0.660 0.000 1.179 203 Y CB 0.009 37.832 38.460 -1.061 0.000 0.998 203 Y HN 0.383 nan 8.280 nan 0.000 0.532 204 E N 0.350 120.402 120.200 -0.248 0.000 2.031 204 E HA -0.300 4.050 4.350 -0.001 0.000 0.193 204 E C 2.001 178.512 176.600 -0.149 0.000 0.994 204 E CA 1.669 58.002 56.400 -0.112 0.000 0.800 204 E CB -0.020 29.636 29.700 -0.073 0.000 0.752 204 E HN 0.388 nan 8.360 nan 0.000 0.447 205 E N 0.056 119.975 120.200 -0.469 0.000 2.076 205 E HA -0.135 4.214 4.350 -0.001 0.000 0.190 205 E C 1.633 178.082 176.600 -0.252 0.000 0.979 205 E CA 1.490 57.600 56.400 -0.483 0.000 0.807 205 E CB 0.203 29.222 29.700 -1.135 0.000 0.761 205 E HN 0.252 nan 8.360 nan 0.000 0.454 206 E N -0.838 119.190 120.200 -0.288 0.000 2.434 206 E HA 0.102 4.452 4.350 -0.001 0.000 0.207 206 E C 1.877 178.358 176.600 -0.197 0.000 0.929 206 E CA 0.423 56.719 56.400 -0.173 0.000 1.001 206 E CB 0.812 30.414 29.700 -0.163 0.000 1.016 206 E HN 0.178 nan 8.360 nan 0.000 0.502 207 V N 0.377 120.100 119.914 -0.319 0.000 2.484 207 V HA -0.011 4.109 4.120 -0.001 0.000 0.236 207 V C 1.761 177.924 176.094 0.116 0.000 1.062 207 V CA 0.953 63.082 62.300 -0.285 0.000 1.081 207 V CB -0.333 31.036 31.823 -0.758 0.000 0.751 207 V HN 0.041 nan 8.190 nan 0.000 0.484 208 F N 0.424 120.380 119.950 0.011 0.000 2.569 208 F HA 0.289 4.816 4.527 -0.001 0.000 0.295 208 F C 1.734 177.511 175.800 -0.038 0.000 1.115 208 F CA 0.084 58.114 58.000 0.051 0.000 1.450 208 F CB -1.010 38.059 39.000 0.115 0.000 1.107 208 F HN 0.157 nan 8.300 nan 0.000 0.563 209 S N 0.035 115.795 115.700 0.099 0.000 3.641 209 S HA 0.041 4.511 4.470 -0.001 0.000 0.346 209 S C 0.078 174.364 174.600 -0.524 0.000 1.074 209 S CA 0.475 58.656 58.200 -0.032 0.000 1.026 209 S CB -1.583 61.634 63.200 0.028 0.000 0.908 209 S HN 0.702 nan 8.310 nan 0.000 0.479 210 A N -0.783 121.861 122.820 -0.293 0.000 2.597 210 A HA 0.663 4.983 4.320 -0.001 0.000 0.292 210 A C -0.411 177.158 177.584 -0.024 0.000 1.057 210 A CA -0.333 51.505 52.037 -0.331 0.000 0.674 210 A CB 0.370 19.249 19.000 -0.201 0.000 1.278 210 A HN 0.368 nan 8.150 nan 0.000 0.416 211 Y N 1.486 121.631 120.300 -0.259 0.000 2.347 211 Y HA 0.061 4.611 4.550 -0.000 0.000 0.294 211 Y C 1.610 177.257 175.900 -0.421 0.000 1.117 211 Y CA 0.971 58.920 58.100 -0.252 0.000 1.184 211 Y CB 0.249 38.564 38.460 -0.241 0.000 1.047 211 Y HN 0.804 nan 8.280 nan 0.000 0.546 212 S N 0.750 115.961 115.700 -0.816 0.000 2.564 212 S HA 0.436 4.905 4.470 -0.001 0.000 0.278 212 S C 0.060 174.282 174.600 -0.630 0.000 1.333 212 S CA -0.184 57.375 58.200 -1.069 0.000 1.048 212 S CB 1.596 63.868 63.200 -1.547 0.000 0.900 212 S HN 0.371 nan 8.310 nan 0.000 0.505 213 A N 3.451 125.916 122.820 -0.592 0.000 2.959 213 A HA 0.574 4.894 4.320 -0.001 0.000 0.280 213 A C -0.396 176.667 177.584 -0.868 0.000 0.953 213 A CA -0.573 51.115 52.037 -0.581 0.000 1.047 213 A CB -0.078 19.060 19.000 0.229 0.000 1.147 213 A HN 0.801 nan 8.150 nan 0.000 0.489 214 L N 0.451 120.989 121.223 -1.141 0.000 2.410 214 L HA 0.577 4.917 4.340 -0.001 0.000 0.270 214 L C -1.309 175.160 176.870 -0.667 0.000 0.983 214 L CA -0.488 53.995 54.840 -0.595 0.000 0.822 214 L CB 2.030 43.920 42.059 -0.281 0.000 1.285 214 L HN 0.488 nan 8.230 nan 0.000 0.409 215 W N 2.798 124.159 121.300 0.101 0.000 2.591 215 W HA 0.217 4.876 4.660 -0.001 0.000 0.311 215 W C -0.969 175.797 176.519 0.413 0.000 1.003 215 W CA -1.051 56.462 57.345 0.279 0.000 1.332 215 W CB 1.262 30.910 29.460 0.312 0.000 1.272 215 W HN 0.485 nan 8.180 nan 0.000 0.412 216 W N 2.349 123.885 121.300 0.393 0.000 2.158 216 W HA 0.173 4.833 4.660 -0.001 0.000 0.339 216 W C 1.365 177.761 176.519 -0.205 0.000 1.294 216 W CA 0.523 57.965 57.345 0.162 0.000 1.231 216 W CB 0.727 30.236 29.460 0.083 0.000 1.143 216 W HN 0.172 nan 8.180 nan 0.000 0.571 217 S N 2.220 117.699 115.700 -0.369 0.000 2.603 217 S HA 0.205 4.674 4.470 -0.001 0.000 0.268 217 S C -1.779 172.556 174.600 -0.442 0.000 1.317 217 S CA -1.085 56.323 58.200 -1.321 0.000 1.012 217 S CB 1.120 63.548 63.200 -1.286 0.000 0.926 217 S HN 0.279 nan 8.310 nan 0.000 0.539 218 P HA -0.158 nan 4.420 nan 0.000 0.217 218 P C 0.666 177.922 177.300 -0.072 0.000 1.151 218 P CA 1.658 64.704 63.100 -0.089 0.000 0.849 218 P CB -0.216 31.475 31.700 -0.014 0.000 0.787 219 N N -2.676 115.968 118.700 -0.093 0.000 2.234 219 N HA 0.188 4.928 4.740 -0.001 0.000 0.227 219 N C 1.024 176.461 175.510 -0.121 0.000 1.151 219 N CA 0.223 53.221 53.050 -0.087 0.000 0.865 219 N CB -0.468 37.985 38.487 -0.056 0.000 1.066 219 N HN 0.146 nan 8.380 nan 0.000 0.515 220 G N -0.785 107.950 108.800 -0.107 0.000 2.179 220 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.260 220 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.260 220 G C 1.008 175.951 174.900 0.070 0.000 0.977 220 G CA 0.802 45.851 45.100 -0.084 0.000 0.641 220 G HN 0.367 nan 8.290 nan 0.000 0.533 221 T N 0.227 114.741 114.554 -0.068 0.000 2.643 221 T HA 0.131 4.481 4.350 -0.001 0.000 0.264 221 T C 0.942 175.498 174.700 -0.240 0.000 1.045 221 T CA 1.431 63.388 62.100 -0.239 0.000 1.155 221 T CB -0.129 68.476 68.868 -0.438 0.000 0.863 221 T HN 0.278 nan 8.240 nan 0.000 0.420 222 F N 0.606 120.583 119.950 0.046 0.000 2.399 222 F HA 0.564 5.090 4.527 -0.001 0.000 0.334 222 F C -0.109 175.765 175.800 0.122 0.000 1.097 222 F CA -1.459 56.608 58.000 0.111 0.000 1.076 222 F CB 0.884 40.024 39.000 0.234 0.000 1.162 222 F HN -0.040 nan 8.300 nan 0.000 0.495 223 L N 3.369 124.728 121.223 0.227 0.000 2.316 223 L HA 0.762 5.101 4.340 -0.001 0.000 0.280 223 L C -0.479 176.480 176.870 0.148 0.000 1.006 223 L CA -0.542 54.260 54.840 -0.063 0.000 0.836 223 L CB 0.439 42.190 42.059 -0.513 0.000 1.221 223 L HN 0.652 nan 8.230 nan 0.000 0.418 224 A N 4.934 127.921 122.820 0.278 0.000 2.303 224 A HA 0.780 5.099 4.320 -0.001 0.000 0.317 224 A C -1.311 176.337 177.584 0.107 0.000 1.149 224 A CA -0.251 51.825 52.037 0.065 0.000 0.822 224 A CB 0.560 19.692 19.000 0.221 0.000 1.131 224 A HN 0.864 nan 8.150 nan 0.000 0.493 225 Y N -1.929 118.154 120.300 -0.361 0.000 2.670 225 Y HA 0.774 5.324 4.550 -0.001 0.000 0.334 225 Y C -0.368 175.365 175.900 -0.277 0.000 1.185 225 Y CA -0.920 57.085 58.100 -0.159 0.000 1.053 225 Y CB 0.879 39.230 38.460 -0.183 0.000 1.298 225 Y HN 0.946 nan 8.280 nan 0.000 0.459 226 A N 1.481 124.396 122.820 0.158 0.000 2.354 226 A HA 0.717 5.037 4.320 -0.001 0.000 0.321 226 A C -1.378 176.102 177.584 -0.173 0.000 1.125 226 A CA -0.887 51.099 52.037 -0.085 0.000 0.799 226 A CB 1.921 20.904 19.000 -0.028 0.000 1.293 226 A HN 0.820 nan 8.150 nan 0.000 0.452 227 Q N 0.863 120.477 119.800 -0.309 0.000 2.330 227 Q HA 0.624 4.963 4.340 -0.001 0.000 0.269 227 Q C -2.051 173.710 176.000 -0.397 0.000 1.022 227 Q CA -0.368 55.344 55.803 -0.151 0.000 0.796 227 Q CB 1.002 29.884 28.738 0.240 0.000 1.271 227 Q HN 0.581 nan 8.270 nan 0.000 0.450 228 F N 2.304 122.353 119.950 0.165 0.000 2.450 228 F HA 0.446 4.973 4.527 -0.000 0.000 0.332 228 F C 0.346 176.286 175.800 0.233 0.000 1.093 228 F CA -0.931 57.135 58.000 0.110 0.000 1.003 228 F CB 1.439 40.402 39.000 -0.062 0.000 1.151 228 F HN 0.452 nan 8.300 nan 0.000 0.474 229 N N 1.722 120.630 118.700 0.347 0.000 2.483 229 N HA 0.231 4.971 4.740 -0.001 0.000 0.267 229 N C -1.088 174.578 175.510 0.260 0.000 0.998 229 N CA -0.401 52.816 53.050 0.278 0.000 0.918 229 N CB 1.022 39.620 38.487 0.184 0.000 1.215 229 N HN 0.530 nan 8.380 nan 0.000 0.500 230 D N 1.507 122.085 120.400 0.296 0.000 2.463 230 D HA 0.154 4.794 4.640 -0.001 0.000 0.224 230 D C 1.129 177.534 176.300 0.176 0.000 1.174 230 D CA 0.091 54.238 54.000 0.245 0.000 0.829 230 D CB 0.552 41.550 40.800 0.329 0.000 0.993 230 D HN 0.465 nan 8.370 nan 0.000 0.497 231 T N 0.339 114.979 114.554 0.143 0.000 2.653 231 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 231 T C 1.272 176.021 174.700 0.081 0.000 1.035 231 T CA 1.349 63.509 62.100 0.100 0.000 1.154 231 T CB -0.042 68.875 68.868 0.081 0.000 0.862 231 T HN 0.323 nan 8.240 nan 0.000 0.441 232 E N 0.412 120.658 120.200 0.078 0.000 2.465 232 E HA 0.188 4.538 4.350 -0.001 0.000 0.195 232 E C -0.503 176.136 176.600 0.065 0.000 1.028 232 E CA -0.248 56.188 56.400 0.060 0.000 0.899 232 E CB 0.574 30.303 29.700 0.048 0.000 1.032 232 E HN 0.205 nan 8.360 nan 0.000 0.468 233 V N 3.683 123.649 119.914 0.086 0.000 2.470 233 V HA 0.100 4.220 4.120 -0.001 0.000 0.276 233 V C -1.991 174.151 176.094 0.079 0.000 1.040 233 V CA -1.576 60.777 62.300 0.089 0.000 1.008 233 V CB 0.149 32.040 31.823 0.114 0.000 0.990 233 V HN 0.044 nan 8.190 nan 0.000 0.477 234 P HA 0.253 nan 4.420 nan 0.000 0.270 234 P C -0.811 176.519 177.300 0.050 0.000 1.223 234 P CA -0.204 62.926 63.100 0.050 0.000 0.785 234 P CB 0.484 32.212 31.700 0.046 0.000 0.923 235 L N 2.042 123.272 121.223 0.012 0.000 2.307 235 L HA 0.464 4.804 4.340 -0.001 0.000 0.284 235 L C 0.359 177.172 176.870 -0.094 0.000 1.023 235 L CA -0.984 53.845 54.840 -0.018 0.000 0.810 235 L CB 1.054 43.098 42.059 -0.025 0.000 1.231 235 L HN 0.276 nan 8.230 nan 0.000 0.423 236 I N 2.427 122.889 120.570 -0.179 0.000 2.474 236 I HA 0.201 4.371 4.170 -0.001 0.000 0.287 236 I C -0.282 175.671 176.117 -0.273 0.000 1.048 236 I CA 0.387 61.476 61.300 -0.352 0.000 1.383 236 I CB 0.553 38.061 38.000 -0.820 0.000 1.412 236 I HN 0.594 nan 8.210 nan 0.000 0.531 237 E N 7.477 127.537 120.200 -0.233 0.000 2.224 237 E HA 0.455 4.804 4.350 -0.001 0.000 0.265 237 E C -1.758 174.758 176.600 -0.140 0.000 0.878 237 E CA -0.568 55.692 56.400 -0.234 0.000 0.759 237 E CB 1.877 31.476 29.700 -0.168 0.000 1.164 237 E HN 0.578 nan 8.360 nan 0.000 0.414 238 Y N -1.573 118.638 120.300 -0.149 0.000 2.597 238 Y HA 0.556 5.106 4.550 -0.000 0.000 0.340 238 Y C -0.445 175.380 175.900 -0.124 0.000 1.097 238 Y CA -1.335 56.684 58.100 -0.133 0.000 1.037 238 Y CB 0.823 39.216 38.460 -0.113 0.000 1.305 238 Y HN 0.173 nan 8.280 nan 0.000 0.463 239 S N 1.707 117.393 115.700 -0.023 0.000 2.565 239 S HA 0.403 4.873 4.470 -0.001 0.000 0.276 239 S C -1.325 173.142 174.600 -0.221 0.000 1.326 239 S CA -0.346 57.688 58.200 -0.277 0.000 1.045 239 S CB 0.190 63.035 63.200 -0.592 0.000 0.918 239 S HN 0.537 nan 8.310 nan 0.000 0.505 240 F N 2.311 122.018 119.950 -0.406 0.000 2.477 240 F HA 0.414 4.940 4.527 -0.000 0.000 0.335 240 F C -0.150 175.436 175.800 -0.357 0.000 1.130 240 F CA -0.769 57.085 58.000 -0.244 0.000 0.948 240 F CB 0.823 39.800 39.000 -0.039 0.000 1.154 240 F HN 0.670 nan 8.300 nan 0.000 0.439 241 Y N 2.684 122.769 120.300 -0.358 0.000 2.397 241 Y HA 0.105 4.654 4.550 -0.000 0.000 0.292 241 Y C 1.667 177.481 175.900 -0.143 0.000 1.115 241 Y CA 1.129 59.108 58.100 -0.202 0.000 1.208 241 Y CB -0.425 37.904 38.460 -0.217 0.000 1.046 241 Y HN 0.733 nan 8.280 nan 0.000 0.552 242 S N -0.338 115.251 115.700 -0.185 0.000 3.633 242 S HA -0.217 4.252 4.470 -0.001 0.000 0.637 242 S C -0.589 174.049 174.600 0.063 0.000 2.289 242 S CA 0.051 58.302 58.200 0.084 0.000 2.476 242 S CB -1.105 62.250 63.200 0.259 0.000 0.330 242 S HN 0.445 nan 8.310 nan 0.000 1.787 243 D N 1.879 122.340 120.400 0.101 0.000 2.390 243 D HA 0.127 4.767 4.640 -0.001 0.000 0.236 243 D C 1.495 177.826 176.300 0.051 0.000 1.189 243 D CA 0.709 54.750 54.000 0.068 0.000 0.887 243 D CB 0.265 41.108 40.800 0.072 0.000 1.198 243 D HN 0.695 nan 8.370 nan 0.000 0.444 244 E N -0.057 120.162 120.200 0.031 0.000 2.401 244 E HA -0.143 4.207 4.350 -0.001 0.000 0.199 244 E C 1.208 177.820 176.600 0.021 0.000 1.023 244 E CA 0.680 57.091 56.400 0.018 0.000 0.859 244 E CB 0.036 29.738 29.700 0.003 0.000 0.780 244 E HN 0.095 nan 8.360 nan 0.000 0.523 245 S N 0.236 115.955 115.700 0.031 0.000 2.442 245 S HA -0.003 4.467 4.470 -0.001 0.000 0.236 245 S C 0.824 175.448 174.600 0.040 0.000 1.007 245 S CA 0.181 58.400 58.200 0.032 0.000 0.965 245 S CB -0.202 63.021 63.200 0.038 0.000 0.773 245 S HN 0.362 nan 8.310 nan 0.000 0.504 246 L N 2.545 123.801 121.223 0.055 0.000 2.369 246 L HA 0.134 4.474 4.340 -0.001 0.000 0.279 246 L C 1.297 178.200 176.870 0.055 0.000 1.108 246 L CA 0.180 55.063 54.840 0.072 0.000 0.852 246 L CB 0.969 43.086 42.059 0.096 0.000 1.169 246 L HN 0.310 nan 8.230 nan 0.000 0.452 247 Q N 4.391 124.226 119.800 0.059 0.000 2.083 247 Q HA -0.085 4.255 4.340 -0.001 0.000 0.198 247 Q C -0.612 175.312 176.000 -0.127 0.000 0.969 247 Q CA 1.396 57.182 55.803 -0.030 0.000 0.838 247 Q CB 0.190 28.928 28.738 0.001 0.000 0.900 247 Q HN 0.637 nan 8.270 nan 0.000 0.436 248 Y N 0.436 120.747 120.300 0.019 0.000 2.364 248 Y HA 0.392 4.942 4.550 -0.000 0.000 0.340 248 Y C -2.088 173.817 175.900 0.009 0.000 0.975 248 Y CA -2.985 55.122 58.100 0.011 0.000 1.089 248 Y CB 1.444 39.904 38.460 -0.001 0.000 1.192 248 Y HN 0.139 nan 8.280 nan 0.000 0.454 249 P HA 0.018 nan 4.420 nan 0.000 0.269 249 P C -0.721 176.584 177.300 0.007 0.000 1.209 249 P CA -0.416 62.695 63.100 0.019 0.000 0.776 249 P CB 0.714 32.361 31.700 -0.088 0.000 0.876 250 K N 1.423 121.818 120.400 -0.009 0.000 2.118 250 K HA 0.307 4.627 4.320 -0.001 0.000 0.267 250 K C -0.655 175.900 176.600 -0.074 0.000 0.991 250 K CA -0.301 55.980 56.287 -0.010 0.000 0.916 250 K CB 0.570 33.091 32.500 0.035 0.000 1.041 250 K HN 0.331 nan 8.250 nan 0.000 0.455 251 T N 3.082 117.577 114.554 -0.099 0.000 2.738 251 T HA 0.188 4.538 4.350 -0.001 0.000 0.298 251 T C -0.381 174.191 174.700 -0.214 0.000 0.962 251 T CA -0.579 61.426 62.100 -0.158 0.000 0.972 251 T CB 0.862 69.649 68.868 -0.135 0.000 0.928 251 T HN 0.279 nan 8.240 nan 0.000 0.474 252 V N 5.824 125.519 119.914 -0.364 0.000 2.530 252 V HA 0.348 4.468 4.120 -0.001 0.000 0.282 252 V C 0.531 176.340 176.094 -0.475 0.000 1.048 252 V CA -0.320 61.702 62.300 -0.463 0.000 0.997 252 V CB 0.527 31.913 31.823 -0.727 0.000 0.987 252 V HN 0.719 nan 8.190 nan 0.000 0.477 253 R N 3.715 124.069 120.500 -0.244 0.000 2.451 253 R HA 0.720 5.060 4.340 -0.001 0.000 0.307 253 R C -1.671 174.603 176.300 -0.043 0.000 0.965 253 R CA -0.577 55.427 56.100 -0.161 0.000 0.865 253 R CB 2.133 32.373 30.300 -0.101 0.000 1.174 253 R HN 0.508 nan 8.270 nan 0.000 0.455 254 V N 3.775 123.665 119.914 -0.040 0.000 2.577 254 V HA 0.344 4.463 4.120 -0.001 0.000 0.303 254 V C -2.409 173.725 176.094 0.067 0.000 1.042 254 V CA -2.531 59.815 62.300 0.076 0.000 0.872 254 V CB 2.249 34.096 31.823 0.040 0.000 0.998 254 V HN 0.604 nan 8.190 nan 0.000 0.423 255 P HA 0.189 nan 4.420 nan 0.000 0.265 255 P C -1.292 176.104 177.300 0.161 0.000 1.222 255 P CA 0.429 63.623 63.100 0.157 0.000 0.767 255 P CB -0.211 31.623 31.700 0.223 0.000 0.801 256 Y N 5.915 126.183 120.300 -0.052 0.000 2.298 256 Y HA 0.383 4.933 4.550 -0.001 0.000 0.322 256 Y C -2.839 173.024 175.900 -0.061 0.000 1.138 256 Y CA -2.742 55.278 58.100 -0.132 0.000 1.127 256 Y CB 2.045 40.299 38.460 -0.343 0.000 1.178 256 Y HN 0.288 nan 8.280 nan 0.000 0.428 257 P HA 0.288 nan 4.420 nan 0.000 0.292 257 P C -1.089 176.256 177.300 0.076 0.000 1.326 257 P CA -0.225 62.909 63.100 0.056 0.000 0.787 257 P CB 1.444 33.153 31.700 0.014 0.000 0.903 258 K N 1.786 122.310 120.400 0.207 0.000 2.117 258 K HA 0.552 4.872 4.320 -0.001 0.000 0.240 258 K C 0.472 177.163 176.600 0.153 0.000 1.031 258 K CA -0.786 55.644 56.287 0.237 0.000 0.909 258 K CB 0.504 33.159 32.500 0.257 0.000 1.097 258 K HN 0.432 nan 8.250 nan 0.000 0.492 259 A N 0.661 123.594 122.820 0.189 0.000 2.561 259 A HA 0.300 4.620 4.320 -0.001 0.000 0.251 259 A C 1.126 178.747 177.584 0.061 0.000 1.062 259 A CA 1.010 53.147 52.037 0.166 0.000 0.761 259 A CB -1.269 17.907 19.000 0.294 0.000 0.986 259 A HN 0.885 nan 8.150 nan 0.000 0.510 260 G N 1.010 109.838 108.800 0.047 0.000 2.195 260 G HA2 0.126 4.086 3.960 -0.001 0.000 0.246 260 G HA3 0.126 4.086 3.960 -0.001 0.000 0.246 260 G C 0.653 175.563 174.900 0.017 0.000 0.984 260 G CA 0.558 45.661 45.100 0.005 0.000 0.633 260 G HN 2.150 nan 8.290 nan 0.000 0.525 261 A N -0.172 122.673 122.820 0.041 0.000 2.296 261 A HA 0.727 5.047 4.320 -0.001 0.000 0.264 261 A C 0.899 178.506 177.584 0.038 0.000 1.097 261 A CA 0.330 52.393 52.037 0.043 0.000 0.811 261 A CB 0.694 19.734 19.000 0.067 0.000 1.072 261 A HN 1.176 nan 8.150 nan 0.000 0.495 262 V N 2.480 122.416 119.914 0.036 0.000 2.585 262 V HA 0.014 4.134 4.120 -0.001 0.000 0.296 262 V C 0.403 176.525 176.094 0.048 0.000 1.035 262 V CA 0.046 62.366 62.300 0.033 0.000 1.084 262 V CB -0.050 31.794 31.823 0.034 0.000 0.953 262 V HN 0.834 nan 8.190 nan 0.000 0.483 263 N N 6.016 124.740 118.700 0.040 0.000 2.482 263 N HA 0.491 5.230 4.740 -0.001 0.000 0.279 263 N C -2.393 173.172 175.510 0.092 0.000 1.182 263 N CA -1.523 51.568 53.050 0.068 0.000 0.969 263 N CB 1.142 39.662 38.487 0.055 0.000 1.201 263 N HN 0.390 nan 8.380 nan 0.000 0.523 264 P HA 0.079 nan 4.420 nan 0.000 0.272 264 P C -0.496 176.921 177.300 0.195 0.000 1.230 264 P CA -0.065 63.155 63.100 0.199 0.000 0.788 264 P CB 0.337 32.196 31.700 0.265 0.000 0.949 265 T N -1.696 112.965 114.554 0.178 0.000 2.952 265 T HA 0.598 4.948 4.350 -0.001 0.000 0.286 265 T C -0.308 174.508 174.700 0.192 0.000 1.024 265 T CA -0.860 61.311 62.100 0.117 0.000 1.029 265 T CB 1.566 70.469 68.868 0.059 0.000 1.094 265 T HN 0.336 nan 8.240 nan 0.000 0.515 266 V N 0.379 120.390 119.914 0.163 0.000 2.962 266 V HA 0.777 4.896 4.120 -0.001 0.000 0.313 266 V C -1.550 174.616 176.094 0.120 0.000 1.099 266 V CA -0.875 61.493 62.300 0.113 0.000 0.971 266 V CB 2.075 34.027 31.823 0.214 0.000 1.028 266 V HN 1.036 nan 8.190 nan 0.000 0.430 267 K N 4.288 124.682 120.400 -0.010 0.000 2.469 267 K HA 0.519 4.838 4.320 -0.001 0.000 0.254 267 K C -1.942 174.498 176.600 -0.266 0.000 0.939 267 K CA -0.441 55.781 56.287 -0.108 0.000 0.812 267 K CB 2.812 35.222 32.500 -0.149 0.000 1.301 267 K HN 0.575 nan 8.250 nan 0.000 0.433 268 F N 2.511 122.128 119.950 -0.556 0.000 2.495 268 F HA 0.594 5.121 4.527 -0.001 0.000 0.327 268 F C -1.381 173.859 175.800 -0.934 0.000 1.103 268 F CA -0.556 57.100 58.000 -0.573 0.000 0.949 268 F CB 0.857 39.662 39.000 -0.325 0.000 1.142 268 F HN 0.397 nan 8.300 nan 0.000 0.457 269 F N 3.968 123.203 119.950 -1.191 0.000 2.599 269 F HA 0.726 5.253 4.527 -0.001 0.000 0.311 269 F C -1.038 174.140 175.800 -1.038 0.000 1.076 269 F CA -1.165 56.257 58.000 -0.963 0.000 0.937 269 F CB 2.108 40.448 39.000 -1.100 0.000 1.282 269 F HN 0.136 nan 8.300 nan 0.000 0.460 270 V N 2.410 122.133 119.914 -0.318 0.000 2.735 270 V HA 0.707 4.826 4.120 -0.001 0.000 0.310 270 V C -1.193 174.980 176.094 0.132 0.000 1.061 270 V CA -0.900 61.288 62.300 -0.187 0.000 0.913 270 V CB 2.067 33.591 31.823 -0.499 0.000 1.005 270 V HN 0.590 nan 8.190 nan 0.000 0.428 271 V N 3.554 123.619 119.914 0.251 0.000 2.638 271 V HA 0.522 4.642 4.120 -0.001 0.000 0.306 271 V C -0.519 175.772 176.094 0.329 0.000 1.052 271 V CA -0.608 61.858 62.300 0.276 0.000 0.885 271 V CB 2.118 34.053 31.823 0.185 0.000 0.999 271 V HN 0.965 nan 8.190 nan 0.000 0.424 272 N N 3.550 122.420 118.700 0.283 0.000 2.405 272 N HA 0.087 4.826 4.740 -0.001 0.000 0.260 272 N C 0.980 176.470 175.510 -0.033 0.000 1.152 272 N CA 0.631 53.707 53.050 0.043 0.000 0.948 272 N CB 1.707 40.197 38.487 0.006 0.000 1.111 272 N HN 0.890 nan 8.380 nan 0.000 0.485 273 T N -0.319 114.200 114.554 -0.058 0.000 3.129 273 T HA 0.108 4.458 4.350 -0.001 0.000 0.251 273 T C 0.446 175.094 174.700 -0.088 0.000 1.117 273 T CA 0.224 62.302 62.100 -0.036 0.000 1.034 273 T CB 0.209 69.152 68.868 0.125 0.000 0.968 273 T HN 0.249 nan 8.240 nan 0.000 0.526 274 D N 1.676 122.000 120.400 -0.127 0.000 2.366 274 D HA 0.082 4.722 4.640 -0.001 0.000 0.205 274 D C 1.548 177.786 176.300 -0.103 0.000 1.022 274 D CA 0.570 54.500 54.000 -0.117 0.000 0.868 274 D CB 0.321 41.040 40.800 -0.136 0.000 0.953 274 D HN 0.602 nan 8.370 nan 0.000 0.514 275 S N 0.019 115.660 115.700 -0.098 0.000 2.561 275 S HA 0.211 4.680 4.470 -0.001 0.000 0.245 275 S C 0.345 174.883 174.600 -0.104 0.000 1.001 275 S CA -0.584 57.577 58.200 -0.065 0.000 1.002 275 S CB -0.071 63.121 63.200 -0.014 0.000 0.805 275 S HN -0.106 nan 8.310 nan 0.000 0.458 276 L N 3.158 124.253 121.223 -0.213 0.000 2.562 276 L HA 0.336 4.676 4.340 -0.001 0.000 0.271 276 L C 0.624 177.303 176.870 -0.318 0.000 1.167 276 L CA 0.512 55.121 54.840 -0.386 0.000 0.917 276 L CB 0.431 42.001 42.059 -0.815 0.000 1.187 276 L HN 0.448 nan 8.230 nan 0.000 0.482 277 S N 1.915 117.549 115.700 -0.109 0.000 2.713 277 S HA 0.309 4.779 4.470 -0.001 0.000 0.283 277 S C 1.199 175.962 174.600 0.273 0.000 1.161 277 S CA -0.152 58.079 58.200 0.052 0.000 0.999 277 S CB 1.546 64.787 63.200 0.069 0.000 1.039 277 S HN 0.667 nan 8.310 nan 0.000 0.548 278 S N 0.494 116.379 115.700 0.308 0.000 2.406 278 S HA 0.054 4.524 4.470 -0.001 0.000 0.224 278 S C 1.375 176.097 174.600 0.203 0.000 1.030 278 S CA 0.694 59.084 58.200 0.316 0.000 0.958 278 S CB -0.114 63.195 63.200 0.183 0.000 0.811 278 S HN 0.523 nan 8.310 nan 0.000 0.489 279 V N 0.402 120.407 119.914 0.151 0.000 3.431 279 V HA 0.235 4.354 4.120 -0.001 0.000 0.253 279 V C 0.887 177.032 176.094 0.084 0.000 1.184 279 V CA 1.064 63.422 62.300 0.097 0.000 1.104 279 V CB 0.816 32.684 31.823 0.075 0.000 0.799 279 V HN 0.571 nan 8.190 nan 0.000 0.462 280 T N -0.983 113.629 114.554 0.097 0.000 2.903 280 T HA 0.378 4.728 4.350 -0.001 0.000 0.299 280 T C -0.643 174.119 174.700 0.104 0.000 1.093 280 T CA -0.722 61.422 62.100 0.073 0.000 1.002 280 T CB 1.693 70.589 68.868 0.046 0.000 1.127 280 T HN 0.056 nan 8.240 nan 0.000 0.488 281 N N 1.900 120.646 118.700 0.076 0.000 2.458 281 N HA 0.395 5.134 4.740 -0.001 0.000 0.258 281 N C 0.320 175.901 175.510 0.118 0.000 1.219 281 N CA 0.138 53.267 53.050 0.131 0.000 0.902 281 N CB 0.856 39.355 38.487 0.019 0.000 1.076 281 N HN 0.938 nan 8.380 nan 0.000 0.455 282 A N 1.393 124.303 122.820 0.151 0.000 2.445 282 A HA 0.289 4.609 4.320 -0.001 0.000 0.242 282 A C 0.644 178.280 177.584 0.087 0.000 1.075 282 A CA -0.216 51.876 52.037 0.092 0.000 0.777 282 A CB 0.086 19.122 19.000 0.061 0.000 1.013 282 A HN 0.603 nan 8.150 nan 0.000 0.493 283 T N 0.771 115.374 114.554 0.082 0.000 2.772 283 T HA 0.547 4.896 4.350 -0.001 0.000 0.288 283 T C -0.203 174.566 174.700 0.116 0.000 0.994 283 T CA -0.420 61.733 62.100 0.088 0.000 0.951 283 T CB 0.197 69.121 68.868 0.094 0.000 0.933 283 T HN 0.513 nan 8.240 nan 0.000 0.447 284 S N 5.343 121.095 115.700 0.088 0.000 2.499 284 S HA 0.504 4.974 4.470 -0.001 0.000 0.279 284 S C 0.103 174.823 174.600 0.200 0.000 1.219 284 S CA -0.919 57.351 58.200 0.116 0.000 1.062 284 S CB 0.425 63.617 63.200 -0.014 0.000 0.978 284 S HN 0.681 nan 8.310 nan 0.000 0.489 285 I N 3.109 123.834 120.570 0.259 0.000 2.325 285 I HA 0.252 4.421 4.170 -0.001 0.000 0.291 285 I C 0.627 176.902 176.117 0.263 0.000 1.019 285 I CA -0.250 61.228 61.300 0.297 0.000 1.302 285 I CB 0.681 38.933 38.000 0.420 0.000 1.401 285 I HN 0.708 nan 8.210 nan 0.000 0.485 286 Q N 6.024 125.982 119.800 0.263 0.000 2.340 286 Q HA 0.463 4.803 4.340 -0.001 0.000 0.249 286 Q C -1.056 174.930 176.000 -0.023 0.000 0.957 286 Q CA -0.198 55.601 55.803 -0.008 0.000 0.882 286 Q CB 1.169 29.879 28.738 -0.047 0.000 1.235 286 Q HN 0.553 nan 8.270 nan 0.000 0.439 287 I N 3.593 124.108 120.570 -0.091 0.000 2.439 287 I HA 0.206 4.376 4.170 -0.001 0.000 0.283 287 I C -0.057 176.043 176.117 -0.028 0.000 1.023 287 I CA -0.740 60.553 61.300 -0.012 0.000 1.100 287 I CB 1.726 39.728 38.000 0.002 0.000 1.238 287 I HN 0.680 nan 8.210 nan 0.000 0.445 288 T N 2.893 117.398 114.554 -0.082 0.000 2.910 288 T HA 0.673 5.023 4.350 -0.001 0.000 0.293 288 T C 0.440 174.935 174.700 -0.343 0.000 1.015 288 T CA -0.723 61.267 62.100 -0.183 0.000 1.094 288 T CB 1.662 70.424 68.868 -0.177 0.000 0.968 288 T HN 0.580 nan 8.240 nan 0.000 0.521 289 A N 3.631 125.977 122.820 -0.789 0.000 2.448 289 A HA 0.534 4.854 4.320 -0.001 0.000 0.239 289 A C -2.122 174.979 177.584 -0.805 0.000 1.080 289 A CA -1.241 49.891 52.037 -1.509 0.000 0.779 289 A CB -0.906 16.727 19.000 -2.278 0.000 1.026 289 A HN 0.751 nan 8.150 nan 0.000 0.499 290 P HA 0.278 nan 4.420 nan 0.000 0.272 290 P C 0.796 177.894 177.300 -0.336 0.000 1.240 290 P CA 0.449 63.331 63.100 -0.364 0.000 0.791 290 P CB 0.639 32.200 31.700 -0.233 0.000 0.978 291 A N 1.537 124.228 122.820 -0.214 0.000 1.917 291 A HA -0.215 4.105 4.320 -0.001 0.000 0.219 291 A C 2.076 179.558 177.584 -0.169 0.000 1.182 291 A CA 2.526 54.457 52.037 -0.177 0.000 0.633 291 A CB -1.994 16.935 19.000 -0.119 0.000 0.819 291 A HN 0.629 nan 8.150 nan 0.000 0.448 292 S N -0.954 114.667 115.700 -0.131 0.000 2.440 292 S HA -0.133 4.337 4.470 -0.001 0.000 0.238 292 S C 1.759 176.280 174.600 -0.131 0.000 1.010 292 S CA 1.618 59.755 58.200 -0.104 0.000 0.972 292 S CB -0.331 62.870 63.200 0.001 0.000 0.774 292 S HN 0.444 nan 8.310 nan 0.000 0.501 293 M N 0.915 120.380 119.600 -0.224 0.000 2.429 293 M HA 0.320 4.800 4.480 -0.001 0.000 0.265 293 M C 2.060 178.105 176.300 -0.425 0.000 1.120 293 M CA 0.788 55.889 55.300 -0.332 0.000 1.173 293 M CB -1.168 31.083 32.600 -0.582 0.000 1.343 293 M HN 0.309 nan 8.290 nan 0.000 0.464 294 L N 0.993 121.949 121.223 -0.446 0.000 2.353 294 L HA -0.149 4.191 4.340 -0.001 0.000 0.220 294 L C 2.306 179.111 176.870 -0.108 0.000 1.133 294 L CA 0.610 55.272 54.840 -0.297 0.000 0.798 294 L CB -0.922 40.981 42.059 -0.259 0.000 0.922 294 L HN 0.318 nan 8.230 nan 0.000 0.445 295 I N -2.646 117.859 120.570 -0.107 0.000 2.614 295 I HA 0.084 4.254 4.170 -0.001 0.000 0.258 295 I C 1.168 177.269 176.117 -0.026 0.000 1.189 295 I CA 0.833 62.094 61.300 -0.065 0.000 1.462 295 I CB -0.475 37.477 38.000 -0.081 0.000 1.092 295 I HN 0.073 nan 8.210 nan 0.000 0.442 296 G N -0.141 108.667 108.800 0.013 0.000 2.911 296 G HA2 0.297 4.257 3.960 -0.001 0.000 0.299 296 G HA3 0.297 4.257 3.960 -0.001 0.000 0.299 296 G C -1.716 173.245 174.900 0.102 0.000 1.283 296 G CA -0.550 44.569 45.100 0.032 0.000 0.805 296 G HN -0.001 nan 8.290 nan 0.000 0.548 297 D N 1.209 121.603 120.400 -0.010 0.000 2.414 297 D HA 0.397 5.036 4.640 -0.001 0.000 0.242 297 D C 0.135 176.351 176.300 -0.140 0.000 1.129 297 D CA 0.642 54.555 54.000 -0.144 0.000 0.885 297 D CB 0.567 41.263 40.800 -0.174 0.000 1.198 297 D HN 0.538 nan 8.370 nan 0.000 0.437 298 H N -0.656 118.258 119.070 -0.260 0.000 2.981 298 H HA 0.411 4.967 4.556 -0.001 0.000 0.327 298 H C -1.404 173.771 175.328 -0.254 0.000 1.342 298 H CA -0.808 55.107 56.048 -0.222 0.000 1.123 298 H CB 0.423 30.184 29.762 -0.002 0.000 1.851 298 H HN 0.280 nan 8.280 nan 0.000 0.531 299 Y N 0.129 120.681 120.300 0.421 0.000 2.545 299 Y HA 0.382 4.932 4.550 -0.001 0.000 0.348 299 Y C -0.341 175.864 175.900 0.507 0.000 1.002 299 Y CA -1.199 57.149 58.100 0.412 0.000 1.039 299 Y CB 1.962 40.494 38.460 0.121 0.000 1.271 299 Y HN 0.450 nan 8.280 nan 0.000 0.467 300 L N 3.154 124.755 121.223 0.629 0.000 2.278 300 L HA 0.341 4.681 4.340 -0.001 0.000 0.287 300 L C 0.472 177.556 176.870 0.357 0.000 1.072 300 L CA -0.259 54.625 54.840 0.073 0.000 0.819 300 L CB 0.237 42.231 42.059 -0.108 0.000 1.176 300 L HN 1.018 nan 8.230 nan 0.000 0.435 301 C N 1.022 120.402 119.300 0.134 0.000 2.935 301 C HA 0.545 5.005 4.460 -0.001 0.000 0.308 301 C C 0.369 175.438 174.990 0.132 0.000 1.263 301 C CA -0.171 58.997 59.018 0.250 0.000 1.738 301 C CB -0.649 27.173 27.740 0.136 0.000 2.237 301 C HN 0.845 nan 8.230 nan 0.000 0.600 302 D N -0.372 119.925 120.400 -0.171 0.000 2.837 302 D HA 0.598 5.238 4.640 -0.001 0.000 0.220 302 D C -1.505 174.420 176.300 -0.625 0.000 1.236 302 D CA -0.137 53.667 54.000 -0.327 0.000 0.838 302 D CB 2.358 43.017 40.800 -0.235 0.000 1.647 302 D HN 0.034 nan 8.370 nan 0.000 0.486 303 V N 2.606 122.049 119.914 -0.786 0.000 2.525 303 V HA 0.671 4.791 4.120 -0.001 0.000 0.299 303 V C -0.588 175.055 176.094 -0.751 0.000 1.034 303 V CA -0.461 61.182 62.300 -1.096 0.000 0.863 303 V CB 1.965 32.568 31.823 -2.035 0.000 0.999 303 V HN 0.716 nan 8.190 nan 0.000 0.423 304 T N 3.665 117.863 114.554 -0.594 0.000 3.031 304 T HA 0.327 4.676 4.350 -0.001 0.000 0.305 304 T C -0.859 173.653 174.700 -0.314 0.000 0.985 304 T CA -0.461 61.463 62.100 -0.294 0.000 1.008 304 T CB 0.740 69.518 68.868 -0.151 0.000 1.005 304 T HN 0.534 nan 8.240 nan 0.000 0.444 305 W N 2.119 123.322 121.300 -0.162 0.000 2.216 305 W HA 0.463 5.123 4.660 -0.001 0.000 0.326 305 W C 1.126 177.491 176.519 -0.257 0.000 1.319 305 W CA -0.255 56.995 57.345 -0.159 0.000 1.213 305 W CB 0.625 30.085 29.460 -0.000 0.000 1.171 305 W HN 0.836 nan 8.180 nan 0.000 0.557 306 A N 1.866 124.588 122.820 -0.164 0.000 1.963 306 A HA 0.229 4.549 4.320 -0.001 0.000 0.207 306 A C 0.796 178.341 177.584 -0.065 0.000 1.243 306 A CA 1.408 53.128 52.037 -0.529 0.000 0.728 306 A CB -0.242 18.003 19.000 -1.260 0.000 0.895 306 A HN 0.524 nan 8.150 nan 0.000 0.467 307 T N -5.210 109.404 114.554 0.100 0.000 2.647 307 T HA 0.313 4.662 4.350 -0.001 0.000 0.295 307 T C 0.063 174.911 174.700 0.246 0.000 1.126 307 T CA -0.281 61.913 62.100 0.157 0.000 1.040 307 T CB 0.612 69.558 68.868 0.129 0.000 1.472 307 T HN 0.005 nan 8.240 nan 0.000 0.500 308 Q N 0.378 120.286 119.800 0.181 0.000 2.368 308 Q HA -0.031 4.309 4.340 -0.001 0.000 0.210 308 Q C 0.575 176.799 176.000 0.374 0.000 0.982 308 Q CA 1.411 57.322 55.803 0.181 0.000 0.884 308 Q CB -0.126 28.692 28.738 0.133 0.000 0.933 308 Q HN 0.841 nan 8.270 nan 0.000 0.460 309 E N 0.010 120.446 120.200 0.394 0.000 3.029 309 E HA 0.231 4.581 4.350 -0.001 0.000 0.196 309 E C -0.287 176.567 176.600 0.424 0.000 0.973 309 E CA -0.178 56.468 56.400 0.409 0.000 1.242 309 E CB 0.961 30.818 29.700 0.262 0.000 1.056 309 E HN -0.004 nan 8.360 nan 0.000 0.469 310 R N 1.594 122.393 120.500 0.499 0.000 2.522 310 R HA 0.524 4.863 4.340 -0.001 0.000 0.283 310 R C -1.912 174.426 176.300 0.063 0.000 1.074 310 R CA -0.479 55.784 56.100 0.272 0.000 0.925 310 R CB 1.473 31.823 30.300 0.083 0.000 1.205 310 R HN 0.129 nan 8.270 nan 0.000 0.436 311 I N 3.265 123.686 120.570 -0.249 0.000 2.545 311 I HA 0.438 4.608 4.170 -0.001 0.000 0.292 311 I C -0.926 174.840 176.117 -0.584 0.000 1.040 311 I CA -0.526 60.336 61.300 -0.730 0.000 1.068 311 I CB 2.257 39.366 38.000 -1.486 0.000 1.251 311 I HN 0.856 nan 8.210 nan 0.000 0.424 312 S N 7.480 122.820 115.700 -0.599 0.000 2.451 312 S HA 0.743 5.212 4.470 -0.001 0.000 0.301 312 S C -1.020 173.230 174.600 -0.583 0.000 1.116 312 S CA -0.701 57.228 58.200 -0.452 0.000 1.093 312 S CB 1.685 64.728 63.200 -0.262 0.000 1.017 312 S HN 0.441 nan 8.310 nan 0.000 0.482 313 L N 2.507 123.414 121.223 -0.525 0.000 2.385 313 L HA 0.513 4.853 4.340 -0.001 0.000 0.273 313 L C -0.269 176.299 176.870 -0.504 0.000 0.990 313 L CA -0.141 54.284 54.840 -0.690 0.000 0.821 313 L CB 1.920 43.530 42.059 -0.748 0.000 1.279 313 L HN 0.824 nan 8.230 nan 0.000 0.412 314 Q N 2.347 121.806 119.800 -0.569 0.000 2.312 314 Q HA 0.485 4.825 4.340 -0.001 0.000 0.263 314 Q C -1.623 174.138 176.000 -0.399 0.000 0.995 314 Q CA -0.498 55.108 55.803 -0.327 0.000 0.853 314 Q CB 2.237 30.838 28.738 -0.228 0.000 1.300 314 Q HN 0.502 nan 8.270 nan 0.000 0.448 315 W N 2.434 123.707 121.300 -0.044 0.000 2.736 315 W HA 0.590 5.249 4.660 -0.001 0.000 0.335 315 W C -0.855 175.718 176.519 0.090 0.000 1.059 315 W CA -0.508 56.860 57.345 0.038 0.000 1.226 315 W CB 1.351 30.802 29.460 -0.015 0.000 1.416 315 W HN 0.297 nan 8.180 nan 0.000 0.505 316 L N 3.744 125.217 121.223 0.417 0.000 2.362 316 L HA 0.559 4.899 4.340 -0.001 0.000 0.275 316 L C 0.292 177.387 176.870 0.374 0.000 0.998 316 L CA -1.037 54.011 54.840 0.346 0.000 0.820 316 L CB 1.463 43.712 42.059 0.317 0.000 1.270 316 L HN 0.508 nan 8.230 nan 0.000 0.415 317 R N 1.914 122.592 120.500 0.298 0.000 2.774 317 R HA 0.089 4.429 4.340 -0.001 0.000 0.269 317 R C 0.963 177.360 176.300 0.162 0.000 1.068 317 R CA -0.046 56.176 56.100 0.204 0.000 1.180 317 R CB 0.773 31.175 30.300 0.170 0.000 1.077 317 R HN 0.615 nan 8.270 nan 0.000 0.513 318 R N 1.154 121.661 120.500 0.012 0.000 2.115 318 R HA -0.003 4.336 4.340 -0.001 0.000 0.230 318 R C 0.393 176.765 176.300 0.120 0.000 1.111 318 R CA 1.073 57.177 56.100 0.006 0.000 0.976 318 R CB 0.077 30.314 30.300 -0.106 0.000 0.870 318 R HN 0.477 nan 8.270 nan 0.000 0.445 319 I N 2.470 123.091 120.570 0.085 0.000 2.308 319 I HA 0.011 4.181 4.170 -0.001 0.000 0.293 319 I C 0.162 176.352 176.117 0.122 0.000 1.078 319 I CA 0.174 61.524 61.300 0.083 0.000 1.292 319 I CB 1.428 39.462 38.000 0.055 0.000 1.423 319 I HN 0.227 nan 8.210 nan 0.000 0.493 320 Q N 4.833 124.700 119.800 0.113 0.000 2.380 320 Q HA -0.018 4.322 4.340 -0.001 0.000 0.254 320 Q C 0.507 176.600 176.000 0.156 0.000 0.927 320 Q CA -0.037 55.848 55.803 0.136 0.000 0.950 320 Q CB -0.370 28.405 28.738 0.061 0.000 1.206 320 Q HN 0.647 nan 8.270 nan 0.000 0.414 321 N N -0.735 118.059 118.700 0.157 0.000 2.204 321 N HA -0.025 4.715 4.740 -0.001 0.000 0.219 321 N C -1.004 174.626 175.510 0.200 0.000 1.151 321 N CA -0.175 52.960 53.050 0.142 0.000 0.867 321 N CB 0.333 38.880 38.487 0.100 0.000 1.043 321 N HN 0.205 nan 8.380 nan 0.000 0.516 322 Y N 0.898 121.238 120.300 0.067 0.000 2.362 322 Y HA 0.515 5.065 4.550 -0.001 0.000 0.326 322 Y C -1.313 174.637 175.900 0.084 0.000 1.083 322 Y CA -0.857 57.281 58.100 0.062 0.000 1.073 322 Y CB 1.467 39.954 38.460 0.046 0.000 1.211 322 Y HN 0.146 nan 8.280 nan 0.000 0.433 323 S N 3.913 119.486 115.700 -0.213 0.000 2.570 323 S HA 0.916 5.386 4.470 -0.001 0.000 0.286 323 S C -1.710 172.792 174.600 -0.164 0.000 1.099 323 S CA -0.865 57.301 58.200 -0.057 0.000 0.913 323 S CB 2.096 65.293 63.200 -0.005 0.000 1.085 323 S HN 0.426 nan 8.310 nan 0.000 0.480 324 V N 2.536 122.464 119.914 0.024 0.000 2.588 324 V HA 0.528 4.648 4.120 -0.001 0.000 0.304 324 V C -0.491 175.649 176.094 0.078 0.000 1.042 324 V CA -0.677 61.642 62.300 0.031 0.000 0.877 324 V CB 1.794 33.667 31.823 0.083 0.000 0.996 324 V HN 1.037 nan 8.190 nan 0.000 0.425 325 M N 3.892 123.507 119.600 0.024 0.000 2.129 325 M HA 0.502 4.982 4.480 -0.001 0.000 0.348 325 M C -1.192 175.129 176.300 0.035 0.000 1.116 325 M CA -0.210 55.077 55.300 -0.022 0.000 1.022 325 M CB 0.871 33.407 32.600 -0.106 0.000 1.599 325 M HN 0.603 nan 8.290 nan 0.000 0.449 326 D N 5.341 125.748 120.400 0.012 0.000 2.163 326 D HA 0.505 5.144 4.640 -0.001 0.000 0.248 326 D C -1.001 175.264 176.300 -0.059 0.000 1.035 326 D CA -0.035 53.970 54.000 0.008 0.000 0.872 326 D CB 1.801 42.624 40.800 0.038 0.000 1.183 326 D HN 0.617 nan 8.370 nan 0.000 0.445 327 I N 2.271 122.835 120.570 -0.011 0.000 2.382 327 I HA 0.266 4.435 4.170 -0.001 0.000 0.286 327 I C -0.561 175.549 176.117 -0.012 0.000 1.002 327 I CA -0.467 60.816 61.300 -0.029 0.000 1.135 327 I CB 1.281 39.324 38.000 0.071 0.000 1.288 327 I HN 0.187 nan 8.210 nan 0.000 0.448 328 c N 4.021 122.600 118.600 -0.036 0.000 2.379 328 c HA 0.559 5.129 4.570 -0.001 0.000 0.323 328 c C -0.341 173.881 174.090 0.219 0.000 1.262 328 c CA -0.793 55.582 56.329 0.077 0.000 1.581 328 c CB 0.880 43.422 42.510 0.054 0.000 2.221 328 c HN 0.611 nan 8.230 nan 0.000 0.497 329 D N 0.278 120.792 120.400 0.190 0.000 2.228 329 D HA 0.373 5.013 4.640 -0.001 0.000 0.247 329 D C -0.704 175.539 176.300 -0.096 0.000 0.995 329 D CA -0.219 53.848 54.000 0.113 0.000 0.903 329 D CB 0.705 41.520 40.800 0.025 0.000 1.205 329 D HN 0.565 nan 8.370 nan 0.000 0.459 330 Y N 1.247 121.150 120.300 -0.661 0.000 2.304 330 Y HA 0.243 4.793 4.550 -0.001 0.000 0.328 330 Y C -0.365 175.231 175.900 -0.507 0.000 1.123 330 Y CA -0.497 56.890 58.100 -1.187 0.000 1.218 330 Y CB 0.910 38.523 38.460 -1.411 0.000 1.207 330 Y HN 0.187 nan 8.280 nan 0.000 0.495 331 D N 5.789 125.594 120.400 -0.992 0.000 2.454 331 D HA 0.107 4.746 4.640 -0.001 0.000 0.225 331 D C 0.449 176.203 176.300 -0.910 0.000 1.081 331 D CA -0.049 53.544 54.000 -0.679 0.000 0.864 331 D CB 0.735 41.300 40.800 -0.392 0.000 1.040 331 D HN 0.856 nan 8.370 nan 0.000 0.517 332 E N 1.270 121.073 120.200 -0.661 0.000 2.233 332 E HA -0.212 4.138 4.350 -0.001 0.000 0.199 332 E C 1.473 177.917 176.600 -0.261 0.000 1.004 332 E CA 1.454 57.604 56.400 -0.416 0.000 0.819 332 E CB 0.297 29.913 29.700 -0.140 0.000 0.738 332 E HN 0.519 nan 8.360 nan 0.000 0.478 333 S N -0.803 114.758 115.700 -0.231 0.000 2.475 333 S HA 0.080 4.549 4.470 -0.001 0.000 0.224 333 S C 2.057 176.584 174.600 -0.121 0.000 1.042 333 S CA 0.165 58.286 58.200 -0.131 0.000 0.935 333 S CB 0.447 63.591 63.200 -0.093 0.000 0.801 333 S HN -0.025 nan 8.310 nan 0.000 0.509 334 S N 1.107 116.703 115.700 -0.173 0.000 2.414 334 S HA 0.342 4.812 4.470 -0.001 0.000 0.227 334 S C 1.747 176.303 174.600 -0.074 0.000 1.022 334 S CA 0.793 58.925 58.200 -0.113 0.000 0.958 334 S CB -0.604 62.523 63.200 -0.122 0.000 0.797 334 S HN 1.093 nan 8.310 nan 0.000 0.493 335 G N 1.437 110.149 108.800 -0.147 0.000 2.159 335 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.256 335 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.256 335 G C 0.167 175.165 174.900 0.162 0.000 0.977 335 G CA 0.172 45.308 45.100 0.060 0.000 0.652 335 G HN 0.430 nan 8.290 nan 0.000 0.531 336 R N -1.787 118.692 120.500 -0.035 0.000 2.943 336 R HA 0.685 5.024 4.340 -0.001 0.000 0.246 336 R C -0.962 175.285 176.300 -0.089 0.000 1.201 336 R CA -0.850 55.299 56.100 0.081 0.000 1.056 336 R CB 0.898 31.249 30.300 0.084 0.000 1.243 336 R HN 0.125 nan 8.270 nan 0.000 0.498 337 W N 0.310 121.662 121.300 0.086 0.000 2.587 337 W HA 0.434 5.094 4.660 -0.000 0.000 0.324 337 W C -0.205 176.314 176.519 -0.000 0.000 1.040 337 W CA -0.374 57.002 57.345 0.052 0.000 1.222 337 W CB 1.295 30.775 29.460 0.032 0.000 1.381 337 W HN 0.197 nan 8.180 nan 0.000 0.483 338 N N 2.229 121.027 118.700 0.163 0.000 2.258 338 N HA 0.501 5.240 4.740 -0.001 0.000 0.299 338 N C -1.656 173.900 175.510 0.077 0.000 1.047 338 N CA -0.461 52.640 53.050 0.084 0.000 0.814 338 N CB 1.955 40.450 38.487 0.014 0.000 1.413 338 N HN 0.263 nan 8.380 nan 0.000 0.478 339 c N 2.714 121.342 118.600 0.046 0.000 2.298 339 c HA 0.517 5.087 4.570 -0.001 0.000 0.323 339 c C 0.518 174.611 174.090 0.006 0.000 1.284 339 c CA -1.022 55.322 56.329 0.025 0.000 1.577 339 c CB -0.450 42.063 42.510 0.005 0.000 2.249 339 c HN 0.514 nan 8.230 nan 0.000 0.497 340 L N 3.075 124.303 121.223 0.007 0.000 2.305 340 L HA 0.217 4.556 4.340 -0.001 0.000 0.281 340 L C 1.371 178.232 176.870 -0.014 0.000 1.085 340 L CA -0.241 54.596 54.840 -0.004 0.000 0.813 340 L CB 0.816 42.876 42.059 0.001 0.000 1.157 340 L HN 0.621 nan 8.230 nan 0.000 0.436 341 V N 2.865 122.764 119.914 -0.025 0.000 2.380 341 V HA -0.341 3.779 4.120 -0.001 0.000 0.251 341 V C 2.396 178.462 176.094 -0.046 0.000 1.063 341 V CA 2.279 64.558 62.300 -0.035 0.000 1.055 341 V CB -0.707 31.095 31.823 -0.036 0.000 0.657 341 V HN 1.032 nan 8.190 nan 0.000 0.455 342 A N -0.040 122.755 122.820 -0.042 0.000 2.019 342 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 342 A C 2.185 179.717 177.584 -0.087 0.000 1.164 342 A CA 1.231 53.234 52.037 -0.057 0.000 0.644 342 A CB -0.371 18.607 19.000 -0.037 0.000 0.805 342 A HN 0.553 nan 8.150 nan 0.000 0.449 343 R N -0.028 120.442 120.500 -0.049 0.000 2.320 343 R HA 0.100 4.440 4.340 -0.001 0.000 0.211 343 R C -0.039 176.226 176.300 -0.058 0.000 0.931 343 R CA -0.033 56.056 56.100 -0.019 0.000 1.071 343 R CB -0.042 30.302 30.300 0.072 0.000 1.025 343 R HN 0.638 nan 8.270 nan 0.000 0.495 344 Q N 0.747 120.477 119.800 -0.118 0.000 2.352 344 Q HA 0.095 4.434 4.340 -0.001 0.000 0.260 344 Q C -0.863 174.980 176.000 -0.262 0.000 0.976 344 Q CA 0.409 56.162 55.803 -0.083 0.000 0.881 344 Q CB 0.833 29.539 28.738 -0.054 0.000 1.235 344 Q HN 0.203 nan 8.270 nan 0.000 0.419 345 H N 1.001 120.077 119.070 0.009 0.000 2.589 345 H HA 0.429 4.985 4.556 -0.001 0.000 0.351 345 H C -0.846 174.455 175.328 -0.045 0.000 1.074 345 H CA -0.470 55.587 56.048 0.016 0.000 1.203 345 H CB 1.099 30.881 29.762 0.034 0.000 1.558 345 H HN 0.441 nan 8.280 nan 0.000 0.522 346 I N 1.970 122.561 120.570 0.035 0.000 2.385 346 I HA 0.221 4.391 4.170 -0.001 0.000 0.294 346 I C 0.017 176.077 176.117 -0.094 0.000 0.988 346 I CA -0.239 60.988 61.300 -0.123 0.000 1.265 346 I CB 1.331 39.227 38.000 -0.172 0.000 1.388 346 I HN 0.558 nan 8.210 nan 0.000 0.480 347 E N 8.183 128.276 120.200 -0.178 0.000 2.216 347 E HA 0.564 4.913 4.350 -0.001 0.000 0.260 347 E C -1.114 175.390 176.600 -0.160 0.000 0.880 347 E CA -0.648 55.694 56.400 -0.097 0.000 0.765 347 E CB 1.462 31.132 29.700 -0.050 0.000 1.174 347 E HN 0.636 nan 8.360 nan 0.000 0.417 348 M N 1.543 121.089 119.600 -0.090 0.000 2.744 348 M HA 0.671 5.151 4.480 -0.001 0.000 0.283 348 M C -1.450 174.857 176.300 0.011 0.000 1.275 348 M CA -0.762 54.512 55.300 -0.042 0.000 0.796 348 M CB 2.366 34.964 32.600 -0.003 0.000 1.739 348 M HN 0.274 nan 8.290 nan 0.000 0.454 349 S N -0.634 115.085 115.700 0.032 0.000 2.546 349 S HA 0.565 5.035 4.470 -0.001 0.000 0.272 349 S C -0.154 174.448 174.600 0.002 0.000 1.140 349 S CA 0.081 58.282 58.200 0.001 0.000 0.920 349 S CB 1.802 64.975 63.200 -0.046 0.000 1.083 349 S HN 0.937 nan 8.310 nan 0.000 0.476 350 T N -0.436 114.114 114.554 -0.008 0.000 3.044 350 T HA 0.146 4.496 4.350 -0.001 0.000 0.260 350 T C 1.201 175.884 174.700 -0.029 0.000 1.019 350 T CA 0.662 62.759 62.100 -0.005 0.000 0.921 350 T CB -0.124 68.750 68.868 0.009 0.000 1.053 350 T HN 0.649 nan 8.240 nan 0.000 0.533 351 T N -2.330 112.189 114.554 -0.059 0.000 2.985 351 T HA 0.646 4.995 4.350 -0.001 0.000 0.254 351 T C 1.111 175.642 174.700 -0.282 0.000 1.021 351 T CA 0.329 62.386 62.100 -0.071 0.000 0.957 351 T CB 0.723 69.607 68.868 0.026 0.000 1.047 351 T HN 0.614 nan 8.240 nan 0.000 0.511 352 G N 0.625 109.141 108.800 -0.474 0.000 2.637 352 G HA2 0.455 4.415 3.960 -0.001 0.000 0.112 352 G HA3 0.455 4.415 3.960 -0.001 0.000 0.112 352 G C -1.698 172.966 174.900 -0.393 0.000 1.181 352 G CA -0.442 44.194 45.100 -0.773 0.000 1.150 352 G HN 0.474 nan 8.290 nan 0.000 0.561 353 W N -0.293 120.751 121.300 -0.427 0.000 2.492 353 W HA 0.792 5.452 4.660 -0.001 0.000 0.373 353 W C -0.233 176.267 176.519 -0.032 0.000 1.323 353 W CA -1.198 56.048 57.345 -0.166 0.000 1.406 353 W CB 1.026 30.371 29.460 -0.192 0.000 1.398 353 W HN 0.611 nan 8.180 nan 0.000 0.671 354 V N 2.773 122.813 119.914 0.210 0.000 2.370 354 V HA 0.828 4.947 4.120 -0.001 0.000 0.283 354 V C 0.200 176.401 176.094 0.178 0.000 1.023 354 V CA 0.374 62.737 62.300 0.105 0.000 0.857 354 V CB 0.255 32.122 31.823 0.074 0.000 0.985 354 V HN 1.806 nan 8.190 nan 0.000 0.443 355 G N 6.200 115.054 108.800 0.089 0.000 2.712 355 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.683 355 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.683 355 G C 0.164 175.164 174.900 0.165 0.000 1.320 355 G CA 0.095 45.265 45.100 0.116 0.000 0.847 355 G HN 0.904 nan 8.290 nan 0.000 0.553 356 R N -0.654 119.914 120.500 0.115 0.000 2.061 356 R HA 0.076 4.416 4.340 -0.001 0.000 0.230 356 R C 2.011 178.248 176.300 -0.105 0.000 1.140 356 R CA 2.273 58.373 56.100 0.001 0.000 0.940 356 R CB -0.143 30.167 30.300 0.016 0.000 0.839 356 R HN 0.481 nan 8.270 nan 0.000 0.429 357 F N -0.911 119.180 119.950 0.235 0.000 2.778 357 F HA 0.261 4.787 4.527 -0.001 0.000 0.314 357 F C 0.553 176.403 175.800 0.082 0.000 1.073 357 F CA -0.431 57.657 58.000 0.147 0.000 1.218 357 F CB 0.703 39.790 39.000 0.144 0.000 1.037 357 F HN -0.081 nan 8.300 nan 0.000 0.594 358 R N -0.923 119.738 120.500 0.268 0.000 2.712 358 R HA 0.425 4.765 4.340 -0.001 0.000 0.272 358 R C -3.328 173.060 176.300 0.146 0.000 1.032 358 R CA -1.970 54.232 56.100 0.170 0.000 0.874 358 R CB 0.197 30.580 30.300 0.138 0.000 1.256 358 R HN -0.359 nan 8.270 nan 0.000 0.468 359 P HA -0.025 nan 4.420 nan 0.000 0.264 359 P C -0.324 177.006 177.300 0.050 0.000 1.183 359 P CA 0.275 63.409 63.100 0.057 0.000 0.763 359 P CB 0.768 32.478 31.700 0.016 0.000 0.807 360 S N 1.862 117.591 115.700 0.049 0.000 2.593 360 S HA 0.124 4.594 4.470 -0.001 0.000 0.269 360 S C 0.193 174.796 174.600 0.005 0.000 1.334 360 S CA -0.631 57.607 58.200 0.065 0.000 1.015 360 S CB 0.101 63.359 63.200 0.096 0.000 0.912 360 S HN 0.444 nan 8.310 nan 0.000 0.541 361 E N 3.386 123.601 120.200 0.024 0.000 2.313 361 E HA 0.428 4.778 4.350 -0.001 0.000 0.272 361 E C -2.788 173.761 176.600 -0.085 0.000 1.038 361 E CA -2.217 54.142 56.400 -0.069 0.000 0.863 361 E CB 0.393 30.051 29.700 -0.069 0.000 1.060 361 E HN 0.283 nan 8.360 nan 0.000 0.402 362 P HA 0.309 nan 4.420 nan 0.000 0.287 362 P C -0.831 176.305 177.300 -0.273 0.000 1.270 362 P CA -0.505 62.437 63.100 -0.264 0.000 0.844 362 P CB 0.992 32.242 31.700 -0.749 0.000 1.068 363 H N 1.965 121.039 119.070 0.005 0.000 2.685 363 H HA 0.295 4.851 4.556 -0.001 0.000 0.307 363 H C -0.366 175.079 175.328 0.196 0.000 1.017 363 H CA -0.323 55.820 56.048 0.159 0.000 1.237 363 H CB 0.277 30.158 29.762 0.198 0.000 1.409 363 H HN 0.305 nan 8.280 nan 0.000 0.488 364 F N 2.010 122.125 119.950 0.275 0.000 2.399 364 F HA 0.044 4.571 4.527 -0.001 0.000 0.342 364 F C 1.673 177.648 175.800 0.293 0.000 1.106 364 F CA -0.440 57.729 58.000 0.282 0.000 1.196 364 F CB 0.950 40.053 39.000 0.172 0.000 1.163 364 F HN 0.389 nan 8.300 nan 0.000 0.547 365 T N 0.563 115.396 114.554 0.464 0.000 2.748 365 T HA 0.058 4.408 4.350 -0.001 0.000 0.304 365 T C 1.140 176.027 174.700 0.311 0.000 1.041 365 T CA -0.751 61.570 62.100 0.369 0.000 1.033 365 T CB 0.640 69.706 68.868 0.331 0.000 0.995 365 T HN 0.530 nan 8.240 nan 0.000 0.536 366 L N 1.433 122.796 121.223 0.234 0.000 2.012 366 L HA -0.061 4.278 4.340 -0.001 0.000 0.210 366 L C 2.339 179.312 176.870 0.172 0.000 1.073 366 L CA 2.398 57.349 54.840 0.186 0.000 0.748 366 L CB -1.173 40.973 42.059 0.145 0.000 0.891 366 L HN 0.963 nan 8.230 nan 0.000 0.431 367 D N -1.376 119.125 120.400 0.167 0.000 2.310 367 D HA -0.010 4.630 4.640 -0.001 0.000 0.212 367 D C 1.666 178.063 176.300 0.161 0.000 0.965 367 D CA 0.930 55.017 54.000 0.144 0.000 0.879 367 D CB -0.592 40.283 40.800 0.126 0.000 0.921 367 D HN 0.428 nan 8.370 nan 0.000 0.510 368 G N 0.487 109.420 108.800 0.221 0.000 2.148 368 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.254 368 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.254 368 G C 0.747 175.824 174.900 0.295 0.000 0.981 368 G CA 0.359 45.613 45.100 0.257 0.000 0.670 368 G HN 0.394 nan 8.290 nan 0.000 0.528 369 N N -0.020 118.822 118.700 0.238 0.000 2.336 369 N HA 0.262 5.002 4.740 -0.001 0.000 0.189 369 N C 0.546 176.150 175.510 0.156 0.000 1.113 369 N CA 0.998 54.161 53.050 0.188 0.000 0.858 369 N CB 0.838 39.397 38.487 0.119 0.000 0.970 369 N HN 0.432 nan 8.380 nan 0.000 0.471 370 S N -0.325 115.495 115.700 0.200 0.000 2.638 370 S HA 0.779 5.249 4.470 -0.001 0.000 0.274 370 S C -1.873 172.730 174.600 0.006 0.000 1.157 370 S CA -0.749 57.413 58.200 -0.064 0.000 0.826 370 S CB 0.986 64.113 63.200 -0.121 0.000 1.139 370 S HN 0.144 nan 8.310 nan 0.000 0.474 371 F N -0.369 119.304 119.950 -0.461 0.000 2.744 371 F HA 0.705 5.231 4.527 -0.001 0.000 0.311 371 F C -2.321 173.205 175.800 -0.457 0.000 1.144 371 F CA -1.272 56.402 58.000 -0.542 0.000 0.938 371 F CB 0.474 38.710 39.000 -1.274 0.000 1.292 371 F HN 0.503 nan 8.300 nan 0.000 0.444 372 Y N 1.336 121.737 120.300 0.168 0.000 2.468 372 Y HA 0.730 5.279 4.550 -0.001 0.000 0.342 372 Y C -0.341 175.691 175.900 0.220 0.000 1.021 372 Y CA -0.899 57.319 58.100 0.196 0.000 1.079 372 Y CB 2.306 40.874 38.460 0.180 0.000 1.226 372 Y HN 0.793 nan 8.280 nan 0.000 0.460 373 K N 1.596 122.205 120.400 0.348 0.000 2.578 373 K HA 0.493 4.812 4.320 -0.001 0.000 0.269 373 K C -2.058 174.671 176.600 0.216 0.000 0.941 373 K CA -0.712 55.717 56.287 0.237 0.000 0.847 373 K CB 1.404 33.954 32.500 0.084 0.000 1.397 373 K HN 0.690 nan 8.250 nan 0.000 0.422 374 I N 4.767 125.439 120.570 0.170 0.000 2.436 374 I HA 0.233 4.403 4.170 -0.001 0.000 0.289 374 I C 0.269 176.475 176.117 0.150 0.000 1.083 374 I CA -0.233 61.157 61.300 0.149 0.000 1.372 374 I CB 0.275 38.343 38.000 0.113 0.000 1.408 374 I HN 0.527 nan 8.210 nan 0.000 0.516 375 I N 2.111 122.808 120.570 0.213 0.000 3.174 375 I HA 0.576 4.746 4.170 -0.001 0.000 0.313 375 I C -0.294 175.941 176.117 0.197 0.000 1.155 375 I CA -0.820 60.601 61.300 0.200 0.000 0.977 375 I CB 2.192 40.344 38.000 0.253 0.000 1.248 375 I HN 0.418 nan 8.210 nan 0.000 0.453 376 S N 2.327 118.086 115.700 0.098 0.000 2.545 376 S HA 0.371 4.841 4.470 -0.001 0.000 0.275 376 S C -0.220 174.405 174.600 0.041 0.000 1.299 376 S CA -0.494 57.701 58.200 -0.008 0.000 1.048 376 S CB 0.219 63.361 63.200 -0.096 0.000 0.938 376 S HN 0.843 nan 8.310 nan 0.000 0.496 377 N N 2.651 121.269 118.700 -0.136 0.000 2.593 377 N HA 0.224 4.964 4.740 -0.001 0.000 0.304 377 N C 0.996 176.423 175.510 -0.139 0.000 1.296 377 N CA -0.403 52.483 53.050 -0.274 0.000 0.950 377 N CB -0.071 37.894 38.487 -0.871 0.000 1.127 377 N HN 0.659 nan 8.380 nan 0.000 0.587 378 E N -0.552 119.565 120.200 -0.138 0.000 2.338 378 E HA -0.228 4.122 4.350 -0.001 0.000 0.197 378 E C 0.224 176.780 176.600 -0.074 0.000 1.007 378 E CA 1.267 57.623 56.400 -0.074 0.000 0.849 378 E CB -0.474 29.193 29.700 -0.054 0.000 0.774 378 E HN 0.918 nan 8.360 nan 0.000 0.506 379 E N -0.656 119.497 120.200 -0.080 0.000 2.501 379 E HA 0.337 4.687 4.350 -0.001 0.000 0.201 379 E C 1.006 177.599 176.600 -0.012 0.000 1.016 379 E CA 0.251 56.644 56.400 -0.012 0.000 0.920 379 E CB 0.380 30.095 29.700 0.024 0.000 1.023 379 E HN 0.209 nan 8.360 nan 0.000 0.474 380 G N 0.473 109.208 108.800 -0.108 0.000 2.175 380 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.244 380 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.244 380 G C -0.428 174.239 174.900 -0.388 0.000 0.982 380 G CA 0.033 44.975 45.100 -0.263 0.000 0.641 380 G HN 0.285 nan 8.290 nan 0.000 0.527 381 Y N 0.586 120.751 120.300 -0.225 0.000 2.313 381 Y HA 0.603 5.153 4.550 -0.001 0.000 0.332 381 Y C 1.268 176.987 175.900 -0.301 0.000 1.071 381 Y CA -0.709 57.235 58.100 -0.259 0.000 1.169 381 Y CB 0.855 39.175 38.460 -0.232 0.000 1.192 381 Y HN 0.068 nan 8.280 nan 0.000 0.487 382 R N 3.995 124.341 120.500 -0.256 0.000 2.291 382 R HA 0.160 4.499 4.340 -0.001 0.000 0.333 382 R C -0.731 175.321 176.300 -0.415 0.000 1.082 382 R CA 0.120 56.085 56.100 -0.225 0.000 0.948 382 R CB -0.205 30.009 30.300 -0.145 0.000 1.009 382 R HN 0.645 nan 8.270 nan 0.000 0.460 383 H N 2.042 121.076 119.070 -0.060 0.000 2.834 383 H HA 0.314 4.870 4.556 -0.001 0.000 0.369 383 H C 0.214 175.626 175.328 0.141 0.000 1.174 383 H CA -0.983 55.024 56.048 -0.068 0.000 1.165 383 H CB 1.661 31.269 29.762 -0.256 0.000 1.820 383 H HN 0.308 nan 8.280 nan 0.000 0.558 384 I N 1.443 122.114 120.570 0.168 0.000 2.533 384 I HA -0.037 4.133 4.170 -0.001 0.000 0.284 384 I C 0.500 176.712 176.117 0.158 0.000 1.109 384 I CA 0.328 61.704 61.300 0.125 0.000 1.412 384 I CB 0.211 38.184 38.000 -0.045 0.000 1.396 384 I HN 0.171 nan 8.210 nan 0.000 0.543 385 c N 7.062 125.722 118.600 0.101 0.000 2.411 385 c HA 0.389 4.958 4.570 -0.001 0.000 0.330 385 c C -0.292 173.765 174.090 -0.055 0.000 1.224 385 c CA -0.588 55.604 56.329 -0.229 0.000 1.770 385 c CB 1.004 43.163 42.510 -0.584 0.000 2.297 385 c HN 0.699 nan 8.230 nan 0.000 0.507 386 Y N 4.027 124.048 120.300 -0.464 0.000 2.335 386 Y HA 0.610 5.160 4.550 -0.001 0.000 0.339 386 Y C -0.910 174.562 175.900 -0.713 0.000 0.987 386 Y CA -0.448 57.327 58.100 -0.540 0.000 1.140 386 Y CB 0.425 38.620 38.460 -0.442 0.000 1.173 386 Y HN 0.664 nan 8.280 nan 0.000 0.486 387 F N 4.375 123.543 119.950 -1.303 0.000 2.495 387 F HA 0.388 4.915 4.527 -0.001 0.000 0.327 387 F C -0.144 174.846 175.800 -1.349 0.000 1.103 387 F CA -0.862 56.358 58.000 -1.300 0.000 0.949 387 F CB 1.624 39.524 39.000 -1.834 0.000 1.142 387 F HN 0.339 nan 8.300 nan 0.000 0.457 388 Q N 3.208 122.614 119.800 -0.657 0.000 2.230 388 Q HA 0.288 4.628 4.340 -0.001 0.000 0.253 388 Q C 1.099 177.024 176.000 -0.126 0.000 0.919 388 Q CA -0.511 55.047 55.803 -0.409 0.000 0.908 388 Q CB 2.231 30.817 28.738 -0.253 0.000 1.245 388 Q HN 0.676 nan 8.270 nan 0.000 0.437 389 I N 1.302 121.882 120.570 0.018 0.000 2.236 389 I HA -0.270 3.899 4.170 -0.001 0.000 0.249 389 I C 0.840 177.111 176.117 0.256 0.000 1.102 389 I CA 1.662 63.117 61.300 0.259 0.000 1.365 389 I CB -0.342 37.811 38.000 0.255 0.000 1.051 389 I HN 0.560 nan 8.210 nan 0.000 0.420 390 D N 1.335 121.801 120.400 0.110 0.000 2.336 390 D HA 0.086 4.726 4.640 -0.001 0.000 0.228 390 D C 0.457 176.756 176.300 -0.001 0.000 1.120 390 D CA 0.269 54.297 54.000 0.047 0.000 0.839 390 D CB 0.300 41.113 40.800 0.023 0.000 0.932 390 D HN 0.543 nan 8.370 nan 0.000 0.509 391 K N -1.368 119.043 120.400 0.018 0.000 2.556 391 K HA 0.390 4.710 4.320 -0.001 0.000 0.274 391 K C 0.313 176.902 176.600 -0.018 0.000 0.966 391 K CA -0.841 55.427 56.287 -0.033 0.000 0.865 391 K CB 2.118 34.592 32.500 -0.044 0.000 1.444 391 K HN -0.408 nan 8.250 nan 0.000 0.433 392 K N 0.502 120.871 120.400 -0.051 0.000 1.973 392 K HA -0.053 4.266 4.320 -0.001 0.000 0.212 392 K C -0.036 176.554 176.600 -0.017 0.000 1.047 392 K CA 1.434 57.707 56.287 -0.022 0.000 0.937 392 K CB -0.175 32.303 32.500 -0.036 0.000 0.721 392 K HN 0.535 nan 8.250 nan 0.000 0.440 393 D N 0.536 120.883 120.400 -0.088 0.000 2.372 393 D HA 0.059 4.699 4.640 -0.001 0.000 0.243 393 D C 0.023 176.118 176.300 -0.340 0.000 1.121 393 D CA 0.029 53.926 54.000 -0.172 0.000 0.898 393 D CB 0.943 41.662 40.800 -0.135 0.000 1.202 393 D HN 0.288 nan 8.370 nan 0.000 0.428 394 c N -0.154 118.111 118.600 -0.559 0.000 2.848 394 c HA 0.853 5.423 4.570 -0.001 0.000 0.317 394 c C 0.030 173.713 174.090 -0.678 0.000 1.260 394 c CA -0.800 54.974 56.329 -0.926 0.000 1.656 394 c CB 1.431 42.739 42.510 -2.004 0.000 2.174 394 c HN 0.591 nan 8.230 nan 0.000 0.479 395 T N 0.688 114.883 114.554 -0.597 0.000 2.809 395 T HA 0.587 4.937 4.350 -0.001 0.000 0.284 395 T C -1.005 173.454 174.700 -0.402 0.000 0.992 395 T CA -0.187 61.690 62.100 -0.372 0.000 0.957 395 T CB 0.136 68.910 68.868 -0.156 0.000 0.942 395 T HN 0.515 nan 8.240 nan 0.000 0.439 396 F N 5.514 125.332 119.950 -0.220 0.000 2.506 396 F HA 0.259 4.786 4.527 -0.000 0.000 0.371 396 F C 1.682 177.308 175.800 -0.291 0.000 1.078 396 F CA -0.864 57.004 58.000 -0.220 0.000 1.195 396 F CB 0.453 39.332 39.000 -0.202 0.000 1.099 396 F HN 0.659 nan 8.300 nan 0.000 0.548 397 I N -0.060 120.405 120.570 -0.174 0.000 3.603 397 I HA 0.153 4.323 4.170 -0.001 0.000 0.297 397 I C 0.285 176.291 176.117 -0.186 0.000 1.269 397 I CA 0.277 61.338 61.300 -0.398 0.000 1.361 397 I CB -0.159 37.426 38.000 -0.692 0.000 1.063 397 I HN 0.488 nan 8.210 nan 0.000 0.448 398 T N 0.178 114.656 114.554 -0.128 0.000 2.903 398 T HA 0.699 5.049 4.350 -0.001 0.000 0.299 398 T C -0.669 173.645 174.700 -0.643 0.000 1.093 398 T CA -0.741 61.252 62.100 -0.178 0.000 1.002 398 T CB 2.684 71.539 68.868 -0.020 0.000 1.127 398 T HN 0.515 nan 8.240 nan 0.000 0.488 399 K N 0.034 119.819 120.400 -1.024 0.000 2.571 399 K HA 0.856 5.176 4.320 -0.001 0.000 0.289 399 K C -0.311 175.486 176.600 -1.338 0.000 1.028 399 K CA -0.897 54.406 56.287 -1.640 0.000 0.895 399 K CB 1.259 33.289 32.500 -0.783 0.000 1.534 399 K HN 1.630 nan 8.250 nan 0.000 0.421 400 G N -0.232 107.947 108.800 -1.034 0.000 2.392 400 G HA2 0.011 3.971 3.960 -0.001 0.000 0.677 400 G HA3 0.011 3.971 3.960 -0.001 0.000 0.677 400 G C -0.345 173.982 174.900 -0.954 0.000 1.334 400 G CA -0.407 44.225 45.100 -0.779 0.000 0.961 400 G HN 1.086 nan 8.290 nan 0.000 0.616 401 T N -0.487 113.636 114.554 -0.719 0.000 4.029 401 T HA 0.498 4.847 4.350 -0.001 0.000 0.226 401 T C 0.507 175.023 174.700 -0.308 0.000 0.838 401 T CA 0.883 62.401 62.100 -0.970 0.000 0.907 401 T CB -1.003 67.571 68.868 -0.490 0.000 1.296 401 T HN 1.406 nan 8.240 nan 0.000 0.711 402 W N -0.552 120.630 121.300 -0.196 0.000 2.962 402 W HA 0.722 5.382 4.660 -0.001 0.000 0.405 402 W C -1.192 175.351 176.519 0.039 0.000 1.121 402 W CA -1.071 56.293 57.345 0.033 0.000 1.164 402 W CB 0.761 30.220 29.460 -0.001 0.000 1.489 402 W HN 0.111 nan 8.180 nan 0.000 0.599 403 E N 0.530 120.962 120.200 0.387 0.000 2.367 403 E HA 0.421 4.771 4.350 -0.001 0.000 0.273 403 E C -1.363 175.377 176.600 0.233 0.000 0.903 403 E CA -1.067 55.351 56.400 0.031 0.000 0.764 403 E CB 3.389 33.119 29.700 0.050 0.000 1.252 403 E HN 0.142 nan 8.360 nan 0.000 0.446 404 V N 3.852 123.779 119.914 0.022 0.000 2.461 404 V HA 0.034 4.154 4.120 -0.001 0.000 0.275 404 V C 1.165 177.358 176.094 0.166 0.000 1.047 404 V CA -0.099 62.298 62.300 0.162 0.000 0.955 404 V CB 0.665 32.485 31.823 -0.004 0.000 0.988 404 V HN 0.695 nan 8.190 nan 0.000 0.471 405 I N 3.182 123.882 120.570 0.217 0.000 2.406 405 I HA 0.226 4.396 4.170 -0.001 0.000 0.249 405 I C 1.124 177.366 176.117 0.208 0.000 1.122 405 I CA 1.180 62.610 61.300 0.216 0.000 1.431 405 I CB -0.824 37.260 38.000 0.139 0.000 1.087 405 I HN 0.762 nan 8.210 nan 0.000 0.424 406 G N 0.561 109.483 108.800 0.204 0.000 2.579 406 G HA2 0.505 4.465 3.960 -0.001 0.000 0.292 406 G HA3 0.505 4.465 3.960 -0.001 0.000 0.292 406 G C -1.257 173.750 174.900 0.179 0.000 1.484 406 G CA -0.604 44.610 45.100 0.190 0.000 0.813 406 G HN -0.048 nan 8.290 nan 0.000 0.515 407 I N 1.571 122.196 120.570 0.092 0.000 2.325 407 I HA 0.244 4.413 4.170 -0.001 0.000 0.291 407 I C 0.661 176.719 176.117 -0.099 0.000 1.019 407 I CA -0.591 60.673 61.300 -0.059 0.000 1.302 407 I CB 1.771 39.568 38.000 -0.339 0.000 1.401 407 I HN 0.512 nan 8.210 nan 0.000 0.485 408 E N 4.909 125.119 120.200 0.017 0.000 2.307 408 E HA 0.319 4.668 4.350 -0.001 0.000 0.195 408 E C 0.193 176.764 176.600 -0.049 0.000 0.975 408 E CA 0.226 56.680 56.400 0.090 0.000 0.878 408 E CB 0.778 30.633 29.700 0.257 0.000 0.845 408 E HN 0.702 nan 8.360 nan 0.000 0.488 409 A N 0.371 123.082 122.820 -0.181 0.000 2.583 409 A HA 0.581 4.900 4.320 -0.001 0.000 0.292 409 A C -2.070 175.449 177.584 -0.108 0.000 1.045 409 A CA -0.713 51.156 52.037 -0.280 0.000 0.672 409 A CB 0.934 19.398 19.000 -0.893 0.000 1.283 409 A HN 0.051 nan 8.150 nan 0.000 0.419 410 L N 1.341 122.541 121.223 -0.037 0.000 2.541 410 L HA 0.710 5.049 4.340 -0.001 0.000 0.266 410 L C 0.168 177.086 176.870 0.080 0.000 0.966 410 L CA 0.463 55.324 54.840 0.035 0.000 0.871 410 L CB 1.879 43.965 42.059 0.044 0.000 1.232 410 L HN 1.234 nan 8.230 nan 0.000 0.408 411 T N 0.092 114.715 114.554 0.115 0.000 2.880 411 T HA 0.362 4.711 4.350 -0.001 0.000 0.279 411 T C 1.274 176.042 174.700 0.112 0.000 0.990 411 T CA 0.037 62.209 62.100 0.120 0.000 0.938 411 T CB 1.064 70.032 68.868 0.167 0.000 1.206 411 T HN 0.718 nan 8.240 nan 0.000 0.573 412 S N -0.105 115.656 115.700 0.102 0.000 2.399 412 S HA -0.126 4.344 4.470 -0.001 0.000 0.231 412 S C 1.154 175.772 174.600 0.030 0.000 1.022 412 S CA 1.116 59.366 58.200 0.083 0.000 0.983 412 S CB -0.639 62.604 63.200 0.072 0.000 0.803 412 S HN 0.731 nan 8.310 nan 0.000 0.480 413 D N -0.259 120.153 120.400 0.020 0.000 2.262 413 D HA 0.218 4.857 4.640 -0.001 0.000 0.212 413 D C -0.090 176.007 176.300 -0.339 0.000 0.964 413 D CA 0.832 54.751 54.000 -0.135 0.000 0.875 413 D CB 0.047 40.818 40.800 -0.048 0.000 0.996 413 D HN 0.452 nan 8.370 nan 0.000 0.497 414 Y N -0.546 119.705 120.300 -0.080 0.000 2.634 414 Y HA 0.449 4.999 4.550 -0.001 0.000 0.340 414 Y C -0.454 175.306 175.900 -0.233 0.000 1.058 414 Y CA -1.238 56.733 58.100 -0.215 0.000 1.081 414 Y CB 2.103 40.305 38.460 -0.430 0.000 1.295 414 Y HN -0.260 nan 8.280 nan 0.000 0.487 415 L N 2.415 123.559 121.223 -0.132 0.000 2.376 415 L HA 0.517 4.857 4.340 -0.001 0.000 0.275 415 L C -2.051 174.735 176.870 -0.140 0.000 0.987 415 L CA -0.989 53.756 54.840 -0.159 0.000 0.828 415 L CB 0.535 42.415 42.059 -0.298 0.000 1.249 415 L HN 0.654 nan 8.230 nan 0.000 0.409 416 Y N 5.906 126.159 120.300 -0.078 0.000 2.360 416 Y HA 0.600 5.149 4.550 -0.001 0.000 0.337 416 Y C -0.250 175.678 175.900 0.047 0.000 1.039 416 Y CA -0.399 57.657 58.100 -0.074 0.000 1.109 416 Y CB 1.616 39.963 38.460 -0.189 0.000 1.201 416 Y HN 0.609 nan 8.280 nan 0.000 0.458 417 Y N -0.010 120.368 120.300 0.129 0.000 2.638 417 Y HA 0.806 5.355 4.550 -0.001 0.000 0.335 417 Y C -1.953 174.039 175.900 0.153 0.000 1.155 417 Y CA -1.941 56.222 58.100 0.106 0.000 1.046 417 Y CB 1.133 39.634 38.460 0.069 0.000 1.303 417 Y HN 0.450 nan 8.280 nan 0.000 0.460 418 I N 2.674 123.421 120.570 0.295 0.000 2.530 418 I HA 0.697 4.867 4.170 -0.001 0.000 0.297 418 I C -0.501 175.810 176.117 0.323 0.000 1.011 418 I CA -0.426 60.993 61.300 0.197 0.000 1.107 418 I CB 2.149 40.208 38.000 0.100 0.000 1.285 418 I HN 0.909 nan 8.210 nan 0.000 0.436 419 S N 2.714 118.571 115.700 0.262 0.000 2.671 419 S HA 0.437 4.907 4.470 -0.001 0.000 0.277 419 S C -0.812 173.851 174.600 0.105 0.000 1.165 419 S CA -0.913 57.426 58.200 0.231 0.000 0.822 419 S CB 1.592 64.951 63.200 0.264 0.000 1.150 419 S HN 0.619 nan 8.310 nan 0.000 0.479 420 N N -0.456 118.304 118.700 0.100 0.000 2.546 420 N HA 0.186 4.926 4.740 -0.001 0.000 0.286 420 N C 0.399 175.881 175.510 -0.046 0.000 1.259 420 N CA -0.445 52.619 53.050 0.023 0.000 0.939 420 N CB 0.482 38.974 38.487 0.008 0.000 1.243 420 N HN 0.808 nan 8.380 nan 0.000 0.511 421 E N 0.172 120.176 120.200 -0.326 0.000 2.046 421 E HA -0.155 4.194 4.350 -0.001 0.000 0.190 421 E C -0.317 176.112 176.600 -0.285 0.000 0.982 421 E CA 0.095 56.006 56.400 -0.815 0.000 0.800 421 E CB -0.094 28.518 29.700 -1.812 0.000 0.756 421 E HN 0.521 nan 8.360 nan 0.000 0.449 422 Y N 1.860 122.057 120.300 -0.171 0.000 2.881 422 Y HA -0.214 4.336 4.550 -0.000 0.000 0.335 422 Y C 0.441 176.309 175.900 -0.054 0.000 1.263 422 Y CA 0.938 58.997 58.100 -0.069 0.000 1.572 422 Y CB 0.239 38.687 38.460 -0.021 0.000 1.237 422 Y HN 0.136 nan 8.280 nan 0.000 0.568 423 K N 3.414 123.513 120.400 -0.502 0.000 3.104 423 K HA -0.279 4.040 4.320 -0.001 0.000 0.285 423 K C 0.806 177.343 176.600 -0.105 0.000 1.136 423 K CA 0.852 56.919 56.287 -0.366 0.000 0.842 423 K CB -1.689 30.529 32.500 -0.469 0.000 1.217 423 K HN 1.225 nan 8.250 nan 0.000 0.467 424 G N 0.611 109.367 108.800 -0.073 0.000 2.283 424 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.280 424 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.280 424 G C -0.013 174.902 174.900 0.025 0.000 1.029 424 G CA 0.856 45.969 45.100 0.021 0.000 0.840 424 G HN 0.330 nan 8.290 nan 0.000 0.505 425 M N -0.152 119.383 119.600 -0.109 0.000 2.061 425 M HA 0.279 4.758 4.480 -0.001 0.000 0.346 425 M C -1.427 174.626 176.300 -0.412 0.000 1.112 425 M CA -2.056 52.999 55.300 -0.409 0.000 1.021 425 M CB 1.757 34.178 32.600 -0.298 0.000 1.530 425 M HN -0.152 nan 8.290 nan 0.000 0.437 426 P HA -0.053 nan 4.420 nan 0.000 0.222 426 P C 1.210 178.354 177.300 -0.261 0.000 1.147 426 P CA 0.922 63.847 63.100 -0.292 0.000 0.790 426 P CB 0.203 31.731 31.700 -0.287 0.000 0.780 427 G N -1.024 107.547 108.800 -0.381 0.000 3.042 427 G HA2 0.242 4.202 3.960 -0.001 0.000 0.212 427 G HA3 0.242 4.202 3.960 -0.001 0.000 0.212 427 G C 0.671 175.558 174.900 -0.021 0.000 1.166 427 G CA 0.073 45.075 45.100 -0.162 0.000 0.767 427 G HN 0.373 nan 8.290 nan 0.000 0.546 428 G N -0.227 108.515 108.800 -0.097 0.000 2.434 428 G HA2 0.635 4.595 3.960 -0.001 0.000 0.330 428 G HA3 0.635 4.595 3.960 -0.001 0.000 0.330 428 G C -0.755 174.052 174.900 -0.156 0.000 1.155 428 G CA -0.738 44.345 45.100 -0.028 0.000 0.917 428 G HN 0.081 nan 8.290 nan 0.000 0.493 429 R N 0.431 120.796 120.500 -0.226 0.000 2.574 429 R HA 0.400 4.739 4.340 -0.001 0.000 0.288 429 R C -1.323 174.939 176.300 -0.062 0.000 1.004 429 R CA -0.801 55.126 56.100 -0.288 0.000 0.895 429 R CB 2.145 31.994 30.300 -0.751 0.000 1.191 429 R HN 0.694 nan 8.270 nan 0.000 0.444 430 N N 0.497 119.189 118.700 -0.013 0.000 2.331 430 N HA 0.351 5.091 4.740 -0.001 0.000 0.280 430 N C -1.556 173.843 175.510 -0.185 0.000 1.155 430 N CA -0.765 52.211 53.050 -0.123 0.000 0.822 430 N CB 2.077 40.398 38.487 -0.276 0.000 1.619 430 N HN 0.233 nan 8.380 nan 0.000 0.476 431 L N 2.281 123.251 121.223 -0.421 0.000 2.326 431 L HA 0.496 4.836 4.340 -0.001 0.000 0.278 431 L C -1.501 174.987 176.870 -0.637 0.000 1.092 431 L CA 0.145 54.752 54.840 -0.388 0.000 0.810 431 L CB -0.134 41.681 42.059 -0.406 0.000 1.153 431 L HN 0.526 nan 8.230 nan 0.000 0.439 432 Y N 3.453 123.404 120.300 -0.581 0.000 2.602 432 Y HA 0.545 5.095 4.550 -0.001 0.000 0.342 432 Y C -0.401 175.155 175.900 -0.573 0.000 1.029 432 Y CA -0.887 56.823 58.100 -0.650 0.000 1.080 432 Y CB 1.722 39.623 38.460 -0.932 0.000 1.284 432 Y HN 0.469 nan 8.280 nan 0.000 0.485 433 K N 2.963 123.217 120.400 -0.244 0.000 2.507 433 K HA 0.571 4.891 4.320 -0.001 0.000 0.252 433 K C -2.052 174.521 176.600 -0.046 0.000 0.943 433 K CA -0.519 55.577 56.287 -0.319 0.000 0.808 433 K CB 1.607 33.816 32.500 -0.486 0.000 1.142 433 K HN 0.810 nan 8.250 nan 0.000 0.426 434 I N 3.315 123.922 120.570 0.061 0.000 2.406 434 I HA 0.211 4.381 4.170 -0.001 0.000 0.290 434 I C -0.530 175.655 176.117 0.113 0.000 0.999 434 I CA -0.614 60.787 61.300 0.168 0.000 1.124 434 I CB 1.709 39.858 38.000 0.248 0.000 1.289 434 I HN 0.719 nan 8.210 nan 0.000 0.441 435 Q N 5.084 124.908 119.800 0.039 0.000 2.286 435 Q HA 0.090 4.429 4.340 -0.001 0.000 0.267 435 Q C 0.534 176.413 176.000 -0.202 0.000 1.028 435 Q CA -0.389 55.243 55.803 -0.285 0.000 0.901 435 Q CB 1.294 29.871 28.738 -0.268 0.000 1.183 435 Q HN 0.690 nan 8.270 nan 0.000 0.392 436 L N 2.472 123.535 121.223 -0.266 0.000 2.362 436 L HA -0.165 4.174 4.340 -0.001 0.000 0.219 436 L C 2.087 178.757 176.870 -0.333 0.000 1.134 436 L CA 1.572 56.325 54.840 -0.145 0.000 0.807 436 L CB -0.545 41.451 42.059 -0.105 0.000 0.927 436 L HN 0.648 nan 8.230 nan 0.000 0.447 437 S N -3.001 112.486 115.700 -0.354 0.000 2.478 437 S HA 0.046 4.516 4.470 -0.001 0.000 0.222 437 S C 0.663 175.016 174.600 -0.410 0.000 1.008 437 S CA 0.034 58.026 58.200 -0.347 0.000 0.928 437 S CB 0.224 63.275 63.200 -0.248 0.000 0.781 437 S HN 0.353 nan 8.310 nan 0.000 0.518 438 D N -0.141 120.017 120.400 -0.402 0.000 2.375 438 D HA 0.246 4.886 4.640 -0.001 0.000 0.241 438 D C -0.781 175.406 176.300 -0.189 0.000 1.361 438 D CA -0.529 53.280 54.000 -0.320 0.000 0.995 438 D CB 0.577 41.275 40.800 -0.169 0.000 1.312 438 D HN -0.003 nan 8.370 nan 0.000 0.576 439 Y N 1.019 121.288 120.300 -0.053 0.000 2.716 439 Y HA -0.064 4.486 4.550 -0.000 0.000 0.302 439 Y C 2.229 178.128 175.900 -0.001 0.000 1.160 439 Y CA 0.956 59.038 58.100 -0.030 0.000 1.362 439 Y CB -0.436 38.004 38.460 -0.035 0.000 0.988 439 Y HN 0.313 nan 8.280 nan 0.000 0.546 440 T N -3.261 111.358 114.554 0.107 0.000 3.040 440 T HA 0.106 4.456 4.350 -0.001 0.000 0.250 440 T C 0.754 175.496 174.700 0.069 0.000 1.058 440 T CA -0.227 61.923 62.100 0.082 0.000 0.988 440 T CB 0.099 68.996 68.868 0.048 0.000 0.993 440 T HN 0.066 nan 8.240 nan 0.000 0.519 441 K N 2.503 122.938 120.400 0.058 0.000 2.333 441 K HA 0.425 4.745 4.320 -0.001 0.000 0.241 441 K C -1.073 175.583 176.600 0.094 0.000 1.193 441 K CA -0.214 56.107 56.287 0.056 0.000 1.142 441 K CB 0.437 32.952 32.500 0.025 0.000 1.731 441 K HN 0.134 nan 8.250 nan 0.000 0.344 442 V N 2.145 122.123 119.914 0.106 0.000 2.350 442 V HA 0.168 4.288 4.120 -0.001 0.000 0.276 442 V C 0.177 176.327 176.094 0.093 0.000 1.028 442 V CA -0.608 61.772 62.300 0.133 0.000 0.860 442 V CB 1.500 33.433 31.823 0.183 0.000 0.990 442 V HN 0.465 nan 8.190 nan 0.000 0.453 443 T N 3.928 118.506 114.554 0.039 0.000 2.795 443 T HA 0.237 4.586 4.350 -0.001 0.000 0.282 443 T C -0.228 174.388 174.700 -0.140 0.000 0.980 443 T CA -0.239 61.835 62.100 -0.044 0.000 1.012 443 T CB 1.194 70.012 68.868 -0.084 0.000 0.936 443 T HN 0.767 nan 8.240 nan 0.000 0.457 444 C N 5.402 124.554 119.300 -0.247 0.000 2.303 444 C HA 0.424 4.884 4.460 -0.001 0.000 0.341 444 C C 1.624 176.304 174.990 -0.516 0.000 1.244 444 C CA -0.637 58.006 59.018 -0.624 0.000 1.765 444 C CB -1.872 25.419 27.740 -0.748 0.000 2.379 444 C HN 0.988 nan 8.230 nan 0.000 0.530 445 L N 4.638 125.527 121.223 -0.556 0.000 2.509 445 L HA 0.080 4.419 4.340 -0.001 0.000 0.222 445 L C 2.075 178.637 176.870 -0.515 0.000 1.123 445 L CA 0.949 55.534 54.840 -0.424 0.000 0.856 445 L CB -0.234 41.610 42.059 -0.358 0.000 0.985 445 L HN 0.897 nan 8.230 nan 0.000 0.456 446 S N -3.382 111.901 115.700 -0.696 0.000 2.631 446 S HA -0.016 4.454 4.470 -0.001 0.000 0.246 446 S C 1.840 176.053 174.600 -0.646 0.000 1.068 446 S CA -0.021 57.668 58.200 -0.851 0.000 0.995 446 S CB -0.314 61.974 63.200 -1.521 0.000 0.944 446 S HN 0.291 nan 8.310 nan 0.000 0.529 447 C N 2.745 121.623 119.300 -0.702 0.000 2.363 447 C HA -0.047 4.413 4.460 -0.001 0.000 0.274 447 C C 2.124 176.807 174.990 -0.512 0.000 1.183 447 C CA 1.119 59.632 59.018 -0.841 0.000 1.771 447 C CB -0.954 25.934 27.740 -1.419 0.000 2.059 447 C HN 0.593 nan 8.230 nan 0.000 0.455 448 E N 0.136 120.118 120.200 -0.363 0.000 2.437 448 E HA 0.208 4.558 4.350 -0.001 0.000 0.195 448 E C 1.627 178.169 176.600 -0.097 0.000 1.029 448 E CA -0.080 56.221 56.400 -0.165 0.000 0.948 448 E CB -0.037 29.590 29.700 -0.121 0.000 1.082 448 E HN 0.672 nan 8.360 nan 0.000 0.456 449 L N 0.325 121.486 121.223 -0.103 0.000 2.072 449 L HA -0.007 4.333 4.340 -0.001 0.000 0.205 449 L C 0.983 177.865 176.870 0.020 0.000 1.079 449 L CA 0.850 55.670 54.840 -0.034 0.000 0.752 449 L CB 0.178 42.220 42.059 -0.027 0.000 0.906 449 L HN 0.019 nan 8.230 nan 0.000 0.436 450 N N -1.533 117.197 118.700 0.049 0.000 3.111 450 N HA 0.104 4.844 4.740 -0.001 0.000 0.200 450 N C -2.333 173.212 175.510 0.059 0.000 1.464 450 N CA -0.717 52.360 53.050 0.046 0.000 0.758 450 N CB 0.940 39.451 38.487 0.040 0.000 1.548 450 N HN -0.209 nan 8.380 nan 0.000 0.595 451 P HA 0.039 nan 4.420 nan 0.000 0.230 451 P C 0.774 178.125 177.300 0.085 0.000 1.158 451 P CA 0.953 64.116 63.100 0.105 0.000 0.769 451 P CB 0.775 32.553 31.700 0.130 0.000 0.807 452 E N -0.631 119.598 120.200 0.048 0.000 2.057 452 E HA -0.030 4.319 4.350 -0.001 0.000 0.190 452 E C 2.203 178.808 176.600 0.008 0.000 0.969 452 E CA 0.405 56.822 56.400 0.028 0.000 0.812 452 E CB -0.110 29.598 29.700 0.014 0.000 0.777 452 E HN 0.044 nan 8.360 nan 0.000 0.455 453 R N -0.323 120.172 120.500 -0.009 0.000 2.119 453 R HA 0.056 4.395 4.340 -0.001 0.000 0.222 453 R C -0.205 176.057 176.300 -0.065 0.000 1.088 453 R CA 0.652 56.725 56.100 -0.045 0.000 0.984 453 R CB 0.297 30.564 30.300 -0.055 0.000 0.884 453 R HN 0.099 nan 8.270 nan 0.000 0.447 454 c N 0.596 119.171 118.600 -0.043 0.000 2.344 454 c HA 0.390 4.960 4.570 -0.001 0.000 0.326 454 c C -0.121 173.952 174.090 -0.029 0.000 1.201 454 c CA -0.691 55.562 56.329 -0.127 0.000 1.410 454 c CB 1.484 43.873 42.510 -0.203 0.000 2.070 454 c HN 0.529 nan 8.230 nan 0.000 0.445 455 Q N 0.495 120.273 119.800 -0.037 0.000 2.113 455 Q HA 0.197 4.537 4.340 -0.001 0.000 0.225 455 Q C -0.912 175.144 176.000 0.092 0.000 0.786 455 Q CA 0.094 55.949 55.803 0.087 0.000 0.989 455 Q CB 1.281 30.089 28.738 0.117 0.000 1.174 455 Q HN 0.792 nan 8.270 nan 0.000 0.470 456 Y N 0.503 120.696 120.300 -0.178 0.000 2.488 456 Y HA 0.373 4.922 4.550 -0.000 0.000 0.330 456 Y C -1.603 174.150 175.900 -0.244 0.000 1.013 456 Y CA -1.026 56.991 58.100 -0.137 0.000 1.304 456 Y CB 0.678 39.069 38.460 -0.116 0.000 1.098 456 Y HN -0.066 nan 8.280 nan 0.000 0.498 457 Y N 2.454 122.668 120.300 -0.143 0.000 2.409 457 Y HA 0.610 5.160 4.550 -0.000 0.000 0.339 457 Y C 0.323 176.146 175.900 -0.129 0.000 1.033 457 Y CA -0.444 57.584 58.100 -0.120 0.000 1.094 457 Y CB 2.101 40.462 38.460 -0.164 0.000 1.210 457 Y HN 0.531 nan 8.280 nan 0.000 0.456 458 S N 1.310 117.073 115.700 0.104 0.000 2.671 458 S HA 0.895 5.365 4.470 -0.001 0.000 0.299 458 S C -1.505 173.129 174.600 0.057 0.000 1.116 458 S CA -0.764 57.479 58.200 0.072 0.000 0.912 458 S CB 1.928 65.184 63.200 0.093 0.000 1.130 458 S HN 0.574 nan 8.310 nan 0.000 0.501 459 V N 0.164 120.104 119.914 0.043 0.000 3.087 459 V HA 0.841 4.961 4.120 -0.001 0.000 0.306 459 V C -1.302 174.808 176.094 0.027 0.000 1.187 459 V CA -0.269 62.011 62.300 -0.034 0.000 0.999 459 V CB 2.347 34.042 31.823 -0.213 0.000 1.049 459 V HN 1.183 nan 8.190 nan 0.000 0.431 460 S N 4.351 120.055 115.700 0.006 0.000 2.707 460 S HA 0.706 5.176 4.470 -0.001 0.000 0.303 460 S C -1.274 173.408 174.600 0.136 0.000 1.132 460 S CA -0.362 57.950 58.200 0.187 0.000 1.046 460 S CB 0.571 63.958 63.200 0.312 0.000 1.004 460 S HN 0.479 nan 8.310 nan 0.000 0.483 461 F N 3.063 123.078 119.950 0.108 0.000 2.397 461 F HA 0.459 4.986 4.527 -0.001 0.000 0.331 461 F C 1.396 176.843 175.800 -0.588 0.000 1.090 461 F CA -0.343 57.571 58.000 -0.144 0.000 1.065 461 F CB 1.558 40.447 39.000 -0.185 0.000 1.184 461 F HN 0.656 nan 8.300 nan 0.000 0.499 462 S N 1.668 116.826 115.700 -0.902 0.000 2.606 462 S HA 0.108 4.578 4.470 -0.001 0.000 0.257 462 S C 1.308 175.651 174.600 -0.429 0.000 1.327 462 S CA -0.634 56.745 58.200 -1.367 0.000 0.984 462 S CB 0.672 63.142 63.200 -1.217 0.000 0.941 462 S HN 0.784 nan 8.310 nan 0.000 0.576 463 K N 0.388 120.647 120.400 -0.236 0.000 2.059 463 K HA -0.177 4.142 4.320 -0.001 0.000 0.212 463 K C 1.589 178.154 176.600 -0.058 0.000 1.050 463 K CA 2.131 58.383 56.287 -0.059 0.000 0.927 463 K CB -0.203 32.294 32.500 -0.004 0.000 0.714 463 K HN 0.789 nan 8.250 nan 0.000 0.447 464 E N -2.027 118.117 120.200 -0.093 0.000 2.538 464 E HA 0.183 4.533 4.350 -0.001 0.000 0.207 464 E C -0.315 176.240 176.600 -0.075 0.000 1.002 464 E CA 0.464 56.830 56.400 -0.058 0.000 0.952 464 E CB 0.803 30.480 29.700 -0.038 0.000 1.031 464 E HN 0.373 nan 8.360 nan 0.000 0.476 465 A N 0.421 123.179 122.820 -0.102 0.000 3.028 465 A HA -0.290 4.030 4.320 -0.001 0.000 0.248 465 A C 1.213 178.787 177.584 -0.017 0.000 1.316 465 A CA 1.273 53.276 52.037 -0.057 0.000 1.003 465 A CB -1.952 16.910 19.000 -0.229 0.000 1.148 465 A HN 0.286 nan 8.150 nan 0.000 0.828 466 K N -1.920 118.432 120.400 -0.079 0.000 2.209 466 K HA 0.040 4.359 4.320 -0.001 0.000 0.204 466 K C 0.227 176.587 176.600 -0.400 0.000 1.048 466 K CA 1.620 57.784 56.287 -0.206 0.000 0.940 466 K CB -0.080 32.293 32.500 -0.212 0.000 0.729 466 K HN 0.736 nan 8.250 nan 0.000 0.451 467 Y N -1.292 118.950 120.300 -0.096 0.000 2.638 467 Y HA 0.357 4.907 4.550 -0.001 0.000 0.339 467 Y C -0.791 175.073 175.900 -0.059 0.000 1.084 467 Y CA -1.591 56.453 58.100 -0.093 0.000 1.068 467 Y CB 1.581 40.003 38.460 -0.063 0.000 1.294 467 Y HN -0.053 nan 8.280 nan 0.000 0.480 468 Y N -1.153 119.184 120.300 0.062 0.000 2.521 468 Y HA 0.468 5.018 4.550 -0.001 0.000 0.332 468 Y C -1.403 174.519 175.900 0.037 0.000 1.121 468 Y CA -1.385 56.599 58.100 -0.192 0.000 1.037 468 Y CB 1.395 39.301 38.460 -0.922 0.000 1.330 468 Y HN 0.609 nan 8.280 nan 0.000 0.452 469 Q N 4.203 124.131 119.800 0.213 0.000 2.278 469 Q HA 0.558 4.898 4.340 -0.001 0.000 0.257 469 Q C -1.739 174.342 176.000 0.135 0.000 0.928 469 Q CA -0.689 55.214 55.803 0.167 0.000 0.932 469 Q CB 1.253 30.069 28.738 0.130 0.000 1.221 469 Q HN 0.949 nan 8.270 nan 0.000 0.434 470 L N 4.263 125.583 121.223 0.162 0.000 2.289 470 L HA 0.502 4.842 4.340 -0.001 0.000 0.285 470 L C -0.022 176.881 176.870 0.054 0.000 1.049 470 L CA -0.454 54.458 54.840 0.121 0.000 0.804 470 L CB 1.315 43.443 42.059 0.115 0.000 1.195 470 L HN 0.616 nan 8.230 nan 0.000 0.428 471 R N 3.401 123.900 120.500 -0.002 0.000 2.320 471 R HA 0.306 4.646 4.340 -0.001 0.000 0.319 471 R C -1.005 175.117 176.300 -0.296 0.000 0.969 471 R CA -0.485 55.426 56.100 -0.314 0.000 0.857 471 R CB 1.191 31.342 30.300 -0.248 0.000 1.160 471 R HN 0.718 nan 8.270 nan 0.000 0.491 472 c N 3.292 121.600 118.600 -0.485 0.000 2.347 472 c HA 0.384 4.954 4.570 -0.001 0.000 0.353 472 c C 0.965 174.832 174.090 -0.372 0.000 1.273 472 c CA -0.265 55.682 56.329 -0.636 0.000 1.861 472 c CB 0.821 42.921 42.510 -0.683 0.000 2.420 472 c HN 0.966 nan 8.230 nan 0.000 0.542 473 S N 3.011 118.588 115.700 -0.206 0.000 2.524 473 S HA 0.501 4.970 4.470 -0.001 0.000 0.215 473 S C 0.623 175.188 174.600 -0.059 0.000 0.986 473 S CA 0.493 58.638 58.200 -0.092 0.000 0.911 473 S CB 0.267 63.435 63.200 -0.052 0.000 0.805 473 S HN 1.342 nan 8.310 nan 0.000 0.501 474 G N 1.474 110.226 108.800 -0.080 0.000 2.315 474 G HA2 0.256 4.216 3.960 -0.001 0.000 0.294 474 G HA3 0.256 4.216 3.960 -0.001 0.000 0.294 474 G C -2.996 171.881 174.900 -0.037 0.000 1.300 474 G CA -0.606 44.481 45.100 -0.021 0.000 0.843 474 G HN -0.180 nan 8.290 nan 0.000 0.527 475 P HA 0.161 nan 4.420 nan 0.000 0.236 475 P C 1.247 178.559 177.300 0.019 0.000 1.177 475 P CA 1.265 64.390 63.100 0.041 0.000 0.773 475 P CB 0.376 32.098 31.700 0.037 0.000 0.878 476 G N 0.505 109.253 108.800 -0.086 0.000 2.525 476 G HA2 0.369 4.329 3.960 -0.001 0.000 0.287 476 G HA3 0.369 4.329 3.960 -0.001 0.000 0.287 476 G C -0.569 174.098 174.900 -0.388 0.000 1.350 476 G CA -0.482 44.492 45.100 -0.211 0.000 1.039 476 G HN -0.048 nan 8.290 nan 0.000 0.513 477 L N 1.283 122.206 121.223 -0.500 0.000 2.525 477 L HA 0.187 4.526 4.340 -0.001 0.000 0.278 477 L C -1.667 175.067 176.870 -0.226 0.000 1.218 477 L CA -1.115 53.424 54.840 -0.503 0.000 0.878 477 L CB 0.120 41.971 42.059 -0.348 0.000 1.127 477 L HN 0.221 nan 8.230 nan 0.000 0.492 478 P HA 0.079 nan 4.420 nan 0.000 0.265 478 P C -0.971 176.328 177.300 -0.002 0.000 1.187 478 P CA -0.043 63.030 63.100 -0.045 0.000 0.766 478 P CB 0.534 32.312 31.700 0.129 0.000 0.820 479 L N 4.914 126.065 121.223 -0.120 0.000 2.409 479 L HA 0.490 4.830 4.340 -0.001 0.000 0.272 479 L C -1.779 175.021 176.870 -0.116 0.000 0.980 479 L CA -0.698 54.126 54.840 -0.027 0.000 0.826 479 L CB 1.085 43.109 42.059 -0.058 0.000 1.268 479 L HN 0.257 nan 8.230 nan 0.000 0.407 480 Y N 3.009 123.270 120.300 -0.065 0.000 2.328 480 Y HA 0.689 5.239 4.550 -0.001 0.000 0.337 480 Y C 0.349 176.158 175.900 -0.151 0.000 0.966 480 Y CA -0.531 57.519 58.100 -0.084 0.000 1.136 480 Y CB 2.117 40.507 38.460 -0.117 0.000 1.170 480 Y HN 0.691 nan 8.280 nan 0.000 0.470 481 T N 1.580 116.153 114.554 0.033 0.000 2.906 481 T HA 0.621 4.971 4.350 -0.001 0.000 0.295 481 T C -1.276 173.385 174.700 -0.065 0.000 1.061 481 T CA -0.933 61.130 62.100 -0.061 0.000 1.000 481 T CB 1.735 70.599 68.868 -0.008 0.000 1.103 481 T HN 0.539 nan 8.240 nan 0.000 0.486 482 L N 2.475 123.554 121.223 -0.240 0.000 2.307 482 L HA 0.539 4.879 4.340 -0.001 0.000 0.284 482 L C -0.538 176.081 176.870 -0.418 0.000 1.023 482 L CA -0.775 53.967 54.840 -0.163 0.000 0.810 482 L CB 1.090 43.104 42.059 -0.076 0.000 1.231 482 L HN 0.819 nan 8.230 nan 0.000 0.423 483 H N 1.707 120.556 119.070 -0.368 0.000 2.747 483 H HA 0.268 4.824 4.556 -0.001 0.000 0.371 483 H C -0.607 174.406 175.328 -0.525 0.000 1.161 483 H CA -0.702 54.987 56.048 -0.598 0.000 1.167 483 H CB 2.414 31.451 29.762 -1.208 0.000 1.732 483 H HN 0.507 nan 8.280 nan 0.000 0.544 484 S N 0.692 116.248 115.700 -0.240 0.000 2.429 484 S HA 0.090 4.560 4.470 -0.001 0.000 0.302 484 S C 1.184 175.704 174.600 -0.132 0.000 1.115 484 S CA -0.291 57.761 58.200 -0.248 0.000 1.095 484 S CB 1.235 64.299 63.200 -0.227 0.000 0.987 484 S HN 0.704 nan 8.310 nan 0.000 0.474 485 S N 3.561 119.245 115.700 -0.027 0.000 2.423 485 S HA -0.111 4.359 4.470 -0.001 0.000 0.231 485 S C 1.700 176.339 174.600 0.065 0.000 1.014 485 S CA 0.859 59.175 58.200 0.193 0.000 0.965 485 S CB -0.772 62.566 63.200 0.231 0.000 0.785 485 S HN 0.723 nan 8.310 nan 0.000 0.495 486 V N 2.235 122.132 119.914 -0.029 0.000 2.453 486 V HA -0.148 3.972 4.120 -0.001 0.000 0.252 486 V C 1.384 177.472 176.094 -0.010 0.000 1.068 486 V CA 2.189 64.478 62.300 -0.019 0.000 1.070 486 V CB -0.516 31.279 31.823 -0.048 0.000 0.664 486 V HN 0.588 nan 8.190 nan 0.000 0.461 487 N N -1.815 116.875 118.700 -0.016 0.000 2.067 487 N HA 0.106 4.846 4.740 -0.001 0.000 0.227 487 N C -0.145 175.364 175.510 -0.002 0.000 1.348 487 N CA 0.588 53.631 53.050 -0.012 0.000 0.879 487 N CB 0.799 39.277 38.487 -0.016 0.000 1.109 487 N HN 0.377 nan 8.380 nan 0.000 0.501 488 D N 0.735 121.150 120.400 0.026 0.000 2.947 488 D HA -0.167 4.472 4.640 -0.001 0.000 0.224 488 D C 0.079 176.406 176.300 0.044 0.000 1.132 488 D CA 0.808 54.851 54.000 0.072 0.000 0.801 488 D CB -1.097 39.739 40.800 0.059 0.000 1.097 488 D HN 0.399 nan 8.370 nan 0.000 0.431 489 K N 0.650 121.049 120.400 -0.003 0.000 2.174 489 K HA 0.495 4.815 4.320 -0.001 0.000 0.275 489 K C 0.641 177.203 176.600 -0.063 0.000 1.015 489 K CA -0.149 56.124 56.287 -0.023 0.000 0.933 489 K CB 0.958 33.432 32.500 -0.043 0.000 1.025 489 K HN 0.029 nan 8.250 nan 0.000 0.463 490 G N 3.456 112.197 108.800 -0.099 0.000 2.403 490 G HA2 0.225 4.185 3.960 -0.001 0.000 0.259 490 G HA3 0.225 4.185 3.960 -0.001 0.000 0.259 490 G C 0.436 175.186 174.900 -0.250 0.000 1.244 490 G CA -0.542 44.370 45.100 -0.313 0.000 0.849 490 G HN 0.690 nan 8.290 nan 0.000 0.532 491 L N 1.461 122.502 121.223 -0.304 0.000 2.185 491 L HA 0.380 4.720 4.340 -0.001 0.000 0.198 491 L C 1.538 178.317 176.870 -0.151 0.000 1.079 491 L CA 0.574 55.314 54.840 -0.168 0.000 0.780 491 L CB -0.028 41.968 42.059 -0.105 0.000 0.955 491 L HN 0.719 nan 8.230 nan 0.000 0.462 492 R N -1.289 119.094 120.500 -0.194 0.000 2.712 492 R HA 0.397 4.736 4.340 -0.001 0.000 0.272 492 R C -1.743 174.441 176.300 -0.193 0.000 1.032 492 R CA -0.770 55.237 56.100 -0.156 0.000 0.874 492 R CB 1.624 31.863 30.300 -0.102 0.000 1.256 492 R HN -0.240 nan 8.270 nan 0.000 0.468 493 V N 3.464 123.284 119.914 -0.156 0.000 2.408 493 V HA 0.156 4.276 4.120 -0.001 0.000 0.267 493 V C 1.427 177.384 176.094 -0.229 0.000 1.047 493 V CA -0.299 61.907 62.300 -0.157 0.000 0.937 493 V CB 1.044 32.806 31.823 -0.101 0.000 0.999 493 V HN 0.656 nan 8.190 nan 0.000 0.472 494 L N 2.825 123.840 121.223 -0.347 0.000 2.102 494 L HA 0.207 4.547 4.340 -0.001 0.000 0.202 494 L C 0.818 177.345 176.870 -0.572 0.000 1.076 494 L CA 0.925 55.334 54.840 -0.719 0.000 0.761 494 L CB 0.169 41.506 42.059 -1.203 0.000 0.921 494 L HN 0.639 nan 8.230 nan 0.000 0.444 495 E N -0.306 119.727 120.200 -0.278 0.000 2.311 495 E HA 0.104 4.454 4.350 -0.001 0.000 0.281 495 E C -1.146 175.467 176.600 0.022 0.000 0.905 495 E CA -0.412 55.930 56.400 -0.096 0.000 0.778 495 E CB 1.232 30.875 29.700 -0.094 0.000 1.240 495 E HN 0.166 nan 8.360 nan 0.000 0.410 496 D N 2.955 123.359 120.400 0.007 0.000 2.433 496 D HA 0.134 4.774 4.640 -0.001 0.000 0.211 496 D C -0.236 176.071 176.300 0.011 0.000 1.114 496 D CA -0.228 53.779 54.000 0.011 0.000 0.837 496 D CB -0.025 40.765 40.800 -0.016 0.000 0.984 496 D HN 0.448 nan 8.370 nan 0.000 0.505 497 N N 0.366 119.083 118.700 0.029 0.000 2.725 497 N HA -0.215 4.525 4.740 -0.001 0.000 0.249 497 N C 0.833 176.347 175.510 0.008 0.000 1.103 497 N CA 0.920 53.986 53.050 0.027 0.000 0.707 497 N CB -1.252 37.250 38.487 0.025 0.000 1.043 497 N HN 0.466 nan 8.380 nan 0.000 0.553 498 S N -1.163 114.541 115.700 0.007 0.000 2.419 498 S HA -0.059 4.411 4.470 -0.001 0.000 0.233 498 S C 2.105 176.716 174.600 0.019 0.000 1.016 498 S CA 0.982 59.184 58.200 0.003 0.000 0.974 498 S CB -0.119 63.083 63.200 0.003 0.000 0.786 498 S HN 0.530 nan 8.310 nan 0.000 0.492 499 A N 2.067 124.907 122.820 0.034 0.000 1.877 499 A HA 0.045 4.364 4.320 -0.001 0.000 0.216 499 A C 2.223 179.847 177.584 0.067 0.000 1.186 499 A CA 1.617 53.684 52.037 0.050 0.000 0.620 499 A CB -0.860 18.175 19.000 0.057 0.000 0.822 499 A HN 0.497 nan 8.150 nan 0.000 0.443 500 L N 0.225 121.490 121.223 0.070 0.000 2.027 500 L HA -0.118 4.221 4.340 -0.001 0.000 0.206 500 L C 1.912 178.813 176.870 0.052 0.000 1.074 500 L CA 2.771 57.669 54.840 0.097 0.000 0.745 500 L CB -0.805 41.314 42.059 0.099 0.000 0.898 500 L HN 0.481 nan 8.230 nan 0.000 0.433 501 D N -0.436 119.967 120.400 0.005 0.000 2.149 501 D HA -0.303 4.336 4.640 -0.001 0.000 0.194 501 D C 2.228 178.526 176.300 -0.003 0.000 1.001 501 D CA 1.855 55.839 54.000 -0.026 0.000 0.849 501 D CB -0.160 40.617 40.800 -0.038 0.000 0.939 501 D HN 0.409 nan 8.370 nan 0.000 0.449 502 K N 0.542 120.955 120.400 0.021 0.000 2.026 502 K HA -0.177 4.142 4.320 -0.001 0.000 0.208 502 K C 2.088 178.718 176.600 0.050 0.000 1.048 502 K CA 1.719 58.025 56.287 0.031 0.000 0.929 502 K CB -0.395 32.127 32.500 0.037 0.000 0.713 502 K HN 0.374 nan 8.250 nan 0.000 0.439 503 M N -0.179 119.473 119.600 0.087 0.000 2.476 503 M HA 0.007 4.486 4.480 -0.001 0.000 0.262 503 M C 1.275 177.597 176.300 0.037 0.000 1.079 503 M CA 0.835 56.216 55.300 0.135 0.000 1.104 503 M CB -0.243 32.531 32.600 0.290 0.000 1.409 503 M HN -0.062 nan 8.290 nan 0.000 0.467 504 L N 1.077 122.279 121.223 -0.035 0.000 2.552 504 L HA 0.046 4.385 4.340 -0.001 0.000 0.227 504 L C 2.328 179.155 176.870 -0.072 0.000 1.146 504 L CA 1.361 56.124 54.840 -0.128 0.000 0.858 504 L CB -0.801 41.195 42.059 -0.105 0.000 0.969 504 L HN 0.427 nan 8.230 nan 0.000 0.451 505 Q N -1.340 118.444 119.800 -0.026 0.000 2.331 505 Q HA -0.071 4.268 4.340 -0.001 0.000 0.203 505 Q C 1.172 177.175 176.000 0.005 0.000 0.944 505 Q CA 0.658 56.456 55.803 -0.009 0.000 0.892 505 Q CB -0.022 28.718 28.738 0.004 0.000 0.983 505 Q HN 0.467 nan 8.270 nan 0.000 0.482 506 N N -0.121 118.588 118.700 0.015 0.000 2.362 506 N HA 0.052 4.791 4.740 -0.001 0.000 0.204 506 N C -1.336 174.194 175.510 0.034 0.000 1.166 506 N CA -0.136 52.938 53.050 0.040 0.000 0.831 506 N CB 0.692 39.224 38.487 0.075 0.000 1.008 506 N HN -0.126 nan 8.380 nan 0.000 0.472 507 V N 0.571 120.480 119.914 -0.008 0.000 2.808 507 V HA 0.208 4.328 4.120 -0.001 0.000 0.308 507 V C -0.488 175.591 176.094 -0.024 0.000 1.099 507 V CA -1.018 61.273 62.300 -0.014 0.000 0.920 507 V CB 2.046 33.810 31.823 -0.098 0.000 1.014 507 V HN 0.044 nan 8.190 nan 0.000 0.425 508 Q N 4.084 123.882 119.800 -0.003 0.000 2.613 508 Q HA 0.287 4.627 4.340 -0.001 0.000 0.228 508 Q C -0.355 175.601 176.000 -0.072 0.000 1.318 508 Q CA -0.146 55.623 55.803 -0.057 0.000 0.907 508 Q CB 0.253 28.971 28.738 -0.033 0.000 1.593 508 Q HN 0.522 nan 8.270 nan 0.000 0.559 509 M N 3.192 122.738 119.600 -0.091 0.000 2.255 509 M HA 0.326 4.806 4.480 -0.001 0.000 0.336 509 M C -1.966 174.257 176.300 -0.127 0.000 1.135 509 M CA -2.498 52.744 55.300 -0.098 0.000 1.145 509 M CB -0.076 32.475 32.600 -0.082 0.000 1.473 509 M HN 0.264 nan 8.290 nan 0.000 0.462 510 P HA 0.229 nan 4.420 nan 0.000 0.276 510 P C -0.674 176.536 177.300 -0.149 0.000 1.261 510 P CA -0.390 62.608 63.100 -0.169 0.000 0.800 510 P CB 0.768 32.349 31.700 -0.198 0.000 1.066 511 S N -0.387 115.207 115.700 -0.176 0.000 2.704 511 S HA 0.591 5.061 4.470 -0.001 0.000 0.305 511 S C -0.736 173.764 174.600 -0.167 0.000 1.107 511 S CA -0.682 57.433 58.200 -0.143 0.000 0.993 511 S CB 1.286 64.401 63.200 -0.141 0.000 1.110 511 S HN 0.476 nan 8.310 nan 0.000 0.534 512 K N 1.110 121.439 120.400 -0.118 0.000 2.426 512 K HA 0.427 4.746 4.320 -0.001 0.000 0.254 512 K C -1.385 175.159 176.600 -0.094 0.000 0.936 512 K CA -0.586 55.635 56.287 -0.111 0.000 0.801 512 K CB 1.314 33.775 32.500 -0.066 0.000 1.139 512 K HN 0.665 nan 8.250 nan 0.000 0.424 513 K N 5.696 126.031 120.400 -0.107 0.000 2.274 513 K HA 0.349 4.669 4.320 -0.001 0.000 0.262 513 K C -1.410 175.143 176.600 -0.078 0.000 0.961 513 K CA -0.718 55.521 56.287 -0.080 0.000 0.833 513 K CB 1.036 33.488 32.500 -0.081 0.000 1.102 513 K HN 0.564 nan 8.250 nan 0.000 0.436 514 L N 4.158 125.344 121.223 -0.061 0.000 2.341 514 L HA 0.511 4.851 4.340 -0.001 0.000 0.278 514 L C -1.238 175.581 176.870 -0.085 0.000 1.005 514 L CA -0.164 54.654 54.840 -0.037 0.000 0.818 514 L CB 1.530 43.645 42.059 0.093 0.000 1.259 514 L HN 0.881 nan 8.230 nan 0.000 0.418 515 D N 2.700 122.895 120.400 -0.342 0.000 2.792 515 D HA 0.424 5.064 4.640 -0.001 0.000 0.335 515 D C -1.650 174.248 176.300 -0.670 0.000 1.353 515 D CA -0.021 53.678 54.000 -0.502 0.000 0.839 515 D CB 1.821 42.321 40.800 -0.501 0.000 1.396 515 D HN 0.231 nan 8.370 nan 0.000 0.479 516 F N 0.221 119.834 119.950 -0.563 0.000 2.588 516 F HA 0.743 5.270 4.527 -0.000 0.000 0.314 516 F C -0.696 175.144 175.800 0.066 0.000 1.069 516 F CA -1.145 56.602 58.000 -0.422 0.000 0.931 516 F CB 0.821 39.123 39.000 -1.163 0.000 1.260 516 F HN 0.295 nan 8.300 nan 0.000 0.465 517 I N 1.149 122.016 120.570 0.496 0.000 2.693 517 I HA 0.674 4.844 4.170 -0.001 0.000 0.303 517 I C -1.181 175.183 176.117 0.412 0.000 1.025 517 I CA -1.154 60.380 61.300 0.389 0.000 1.086 517 I CB 2.122 40.304 38.000 0.304 0.000 1.268 517 I HN 0.479 nan 8.210 nan 0.000 0.440 518 I N 5.424 126.175 120.570 0.302 0.000 2.321 518 I HA 0.436 4.606 4.170 -0.001 0.000 0.291 518 I C -0.703 175.551 176.117 0.228 0.000 0.998 518 I CA -0.553 60.893 61.300 0.244 0.000 1.227 518 I CB 1.047 39.151 38.000 0.173 0.000 1.368 518 I HN 0.441 nan 8.210 nan 0.000 0.466 519 L N 6.762 128.173 121.223 0.314 0.000 2.381 519 L HA 0.454 4.794 4.340 -0.001 0.000 0.274 519 L C 0.022 177.032 176.870 0.233 0.000 0.988 519 L CA -0.361 54.634 54.840 0.259 0.000 0.824 519 L CB 0.981 43.209 42.059 0.281 0.000 1.263 519 L HN 0.467 nan 8.230 nan 0.000 0.410 520 N N 3.286 122.062 118.700 0.126 0.000 2.699 520 N HA -0.255 4.485 4.740 -0.001 0.000 0.256 520 N C -0.049 175.510 175.510 0.082 0.000 0.993 520 N CA 1.229 54.332 53.050 0.088 0.000 0.759 520 N CB -0.958 37.574 38.487 0.074 0.000 0.906 520 N HN 0.832 nan 8.380 nan 0.000 0.541 521 E N -3.543 116.697 120.200 0.068 0.000 2.637 521 E HA -0.239 4.111 4.350 -0.001 0.000 0.265 521 E C -0.735 175.868 176.600 0.005 0.000 1.073 521 E CA 1.179 57.599 56.400 0.034 0.000 0.778 521 E CB -1.733 27.977 29.700 0.016 0.000 1.362 521 E HN 0.528 nan 8.360 nan 0.000 0.413 522 T N 0.245 114.812 114.554 0.023 0.000 2.916 522 T HA 0.347 4.697 4.350 -0.001 0.000 0.298 522 T C -0.352 174.220 174.700 -0.213 0.000 1.031 522 T CA -0.948 61.071 62.100 -0.135 0.000 0.993 522 T CB 1.712 70.459 68.868 -0.202 0.000 1.045 522 T HN 0.005 nan 8.240 nan 0.000 0.454 523 K N 1.993 122.174 120.400 -0.365 0.000 2.339 523 K HA 0.463 4.783 4.320 -0.001 0.000 0.286 523 K C -1.082 175.246 176.600 -0.454 0.000 1.050 523 K CA -0.035 56.018 56.287 -0.389 0.000 0.956 523 K CB 0.357 32.512 32.500 -0.575 0.000 0.990 523 K HN 0.384 nan 8.250 nan 0.000 0.475 524 F N 2.087 122.060 119.950 0.039 0.000 2.493 524 F HA 0.336 4.863 4.527 -0.000 0.000 0.329 524 F C -0.401 175.435 175.800 0.060 0.000 1.126 524 F CA -0.809 57.226 58.000 0.059 0.000 0.937 524 F CB 0.963 39.988 39.000 0.042 0.000 1.146 524 F HN 0.427 nan 8.300 nan 0.000 0.442 525 W N 3.324 124.714 121.300 0.150 0.000 2.283 525 W HA 0.532 5.192 4.660 -0.000 0.000 0.341 525 W C -0.603 176.058 176.519 0.236 0.000 1.206 525 W CA -0.471 56.994 57.345 0.199 0.000 1.294 525 W CB 0.602 30.133 29.460 0.118 0.000 1.154 525 W HN 0.455 nan 8.180 nan 0.000 0.613 526 Y N -0.782 119.803 120.300 0.476 0.000 2.638 526 Y HA 0.617 5.167 4.550 -0.000 0.000 0.335 526 Y C -1.069 175.042 175.900 0.352 0.000 1.155 526 Y CA -1.824 56.556 58.100 0.467 0.000 1.046 526 Y CB 1.036 39.929 38.460 0.721 0.000 1.303 526 Y HN 0.567 nan 8.280 nan 0.000 0.460 527 Q N 2.144 122.171 119.800 0.378 0.000 2.456 527 Q HA 0.786 5.125 4.340 -0.001 0.000 0.283 527 Q C -1.866 174.248 176.000 0.189 0.000 1.084 527 Q CA -1.195 54.707 55.803 0.164 0.000 0.801 527 Q CB 3.411 32.212 28.738 0.105 0.000 1.434 527 Q HN 0.875 nan 8.270 nan 0.000 0.419 528 M N 2.067 121.698 119.600 0.053 0.000 2.386 528 M HA 0.455 4.935 4.480 -0.001 0.000 0.293 528 M C -1.330 174.885 176.300 -0.142 0.000 1.120 528 M CA -0.903 54.360 55.300 -0.063 0.000 0.909 528 M CB 2.366 34.897 32.600 -0.115 0.000 1.661 528 M HN 0.606 nan 8.290 nan 0.000 0.452 529 I N 4.805 125.277 120.570 -0.164 0.000 2.297 529 I HA 0.364 4.534 4.170 -0.001 0.000 0.291 529 I C -0.561 175.368 176.117 -0.313 0.000 1.033 529 I CA -0.291 60.884 61.300 -0.208 0.000 1.253 529 I CB 0.463 38.362 38.000 -0.169 0.000 1.396 529 I HN 0.620 nan 8.210 nan 0.000 0.476 530 L N 8.420 129.400 121.223 -0.406 0.000 2.295 530 L HA 0.436 4.776 4.340 -0.001 0.000 0.285 530 L C -2.166 174.450 176.870 -0.423 0.000 1.035 530 L CA -1.800 52.666 54.840 -0.624 0.000 0.806 530 L CB 1.305 42.774 42.059 -0.983 0.000 1.214 530 L HN 0.265 nan 8.230 nan 0.000 0.426 531 P HA 0.023 nan 4.420 nan 0.000 0.267 531 P C -2.418 174.801 177.300 -0.135 0.000 1.201 531 P CA -0.751 62.235 63.100 -0.190 0.000 0.775 531 P CB -0.284 31.359 31.700 -0.094 0.000 0.854 532 P HA -0.083 nan 4.420 nan 0.000 0.270 532 P C -0.134 177.104 177.300 -0.104 0.000 1.223 532 P CA 0.564 63.529 63.100 -0.225 0.000 0.785 532 P CB 0.021 31.520 31.700 -0.335 0.000 0.923 533 H N -2.246 116.860 119.070 0.060 0.000 2.741 533 H HA -0.198 4.358 4.556 -0.000 0.000 0.305 533 H C 0.109 175.509 175.328 0.121 0.000 1.169 533 H CA 0.087 56.179 56.048 0.074 0.000 1.144 533 H CB -2.534 27.266 29.762 0.063 0.000 1.397 533 H HN 0.367 nan 8.280 nan 0.000 0.409 534 F N 2.424 122.369 119.950 -0.009 0.000 2.612 534 F HA 0.123 4.650 4.527 -0.000 0.000 0.389 534 F C 0.594 176.397 175.800 0.005 0.000 1.055 534 F CA -0.147 57.789 58.000 -0.106 0.000 1.232 534 F CB 0.459 39.297 39.000 -0.271 0.000 1.044 534 F HN 0.165 nan 8.300 nan 0.000 0.560 535 D N 6.112 126.282 120.400 -0.383 0.000 2.462 535 D HA 0.118 4.758 4.640 -0.001 0.000 0.245 535 D C 0.399 176.410 176.300 -0.481 0.000 1.122 535 D CA -0.530 53.291 54.000 -0.298 0.000 0.864 535 D CB 0.909 41.678 40.800 -0.053 0.000 1.098 535 D HN 0.675 nan 8.370 nan 0.000 0.541 536 K N 1.677 121.735 120.400 -0.571 0.000 2.551 536 K HA -0.015 4.305 4.320 -0.001 0.000 0.192 536 K C 0.563 177.137 176.600 -0.042 0.000 1.027 536 K CA 0.405 56.478 56.287 -0.356 0.000 1.059 536 K CB -0.022 32.352 32.500 -0.209 0.000 0.831 536 K HN 0.184 nan 8.250 nan 0.000 0.508 537 S N -0.324 115.333 115.700 -0.072 0.000 2.524 537 S HA 0.112 4.582 4.470 -0.001 0.000 0.216 537 S C 0.392 174.970 174.600 -0.037 0.000 0.987 537 S CA -0.304 57.876 58.200 -0.032 0.000 0.909 537 S CB 0.089 63.263 63.200 -0.043 0.000 0.781 537 S HN 0.221 nan 8.310 nan 0.000 0.521 538 K N 1.198 121.564 120.400 -0.057 0.000 2.090 538 K HA 0.423 4.743 4.320 -0.001 0.000 0.249 538 K C -0.461 176.094 176.600 -0.076 0.000 0.995 538 K CA -0.641 55.558 56.287 -0.148 0.000 0.914 538 K CB 0.603 32.882 32.500 -0.368 0.000 1.057 538 K HN -0.037 nan 8.250 nan 0.000 0.462 539 K N 2.432 122.732 120.400 -0.166 0.000 2.367 539 K HA 0.246 4.565 4.320 -0.001 0.000 0.263 539 K C -1.139 175.389 176.600 -0.120 0.000 1.000 539 K CA -0.380 55.881 56.287 -0.043 0.000 0.891 539 K CB 0.904 33.374 32.500 -0.051 0.000 1.117 539 K HN 0.464 nan 8.250 nan 0.000 0.443 540 Y N 3.007 123.347 120.300 0.068 0.000 2.387 540 Y HA 0.253 4.803 4.550 -0.000 0.000 0.330 540 Y C -1.751 174.101 175.900 -0.079 0.000 1.133 540 Y CA -2.235 55.879 58.100 0.024 0.000 1.152 540 Y CB 0.977 39.513 38.460 0.127 0.000 1.215 540 Y HN 0.437 nan 8.280 nan 0.000 0.466 541 P HA 0.138 nan 4.420 nan 0.000 0.271 541 P C -1.109 176.064 177.300 -0.213 0.000 1.218 541 P CA -0.137 62.699 63.100 -0.440 0.000 0.780 541 P CB 1.379 32.502 31.700 -0.963 0.000 0.901 542 L N 2.965 124.094 121.223 -0.156 0.000 2.386 542 L HA 0.569 4.909 4.340 -0.001 0.000 0.271 542 L C -1.309 175.740 176.870 0.298 0.000 0.993 542 L CA -1.117 53.773 54.840 0.083 0.000 0.819 542 L CB 1.893 44.011 42.059 0.098 0.000 1.294 542 L HN 0.149 nan 8.230 nan 0.000 0.414 543 L N 5.285 126.692 121.223 0.307 0.000 2.319 543 L HA 0.514 4.854 4.340 -0.001 0.000 0.281 543 L C -1.346 175.751 176.870 0.377 0.000 1.005 543 L CA -0.378 54.700 54.840 0.397 0.000 0.828 543 L CB 1.554 43.799 42.059 0.311 0.000 1.227 543 L HN 0.619 nan 8.230 nan 0.000 0.415 544 L N 5.119 126.619 121.223 0.463 0.000 2.295 544 L HA 0.374 4.714 4.340 -0.001 0.000 0.288 544 L C -0.484 176.637 176.870 0.420 0.000 1.079 544 L CA 0.219 55.324 54.840 0.441 0.000 0.830 544 L CB 0.400 42.771 42.059 0.519 0.000 1.200 544 L HN 0.626 nan 8.230 nan 0.000 0.438 545 D N 4.422 125.050 120.400 0.380 0.000 2.365 545 D HA 0.179 4.819 4.640 -0.001 0.000 0.237 545 D C -0.868 175.528 176.300 0.161 0.000 1.190 545 D CA 0.091 54.254 54.000 0.271 0.000 0.867 545 D CB 1.023 42.050 40.800 0.378 0.000 1.050 545 D HN 0.304 nan 8.370 nan 0.000 0.491 546 V N 5.404 125.343 119.914 0.043 0.000 2.715 546 V HA 0.426 4.546 4.120 -0.001 0.000 0.310 546 V C -0.765 175.426 176.094 0.162 0.000 1.054 546 V CA -0.403 61.980 62.300 0.137 0.000 0.928 546 V CB 1.797 33.700 31.823 0.133 0.000 1.007 546 V HN 0.653 nan 8.190 nan 0.000 0.437 547 Y N 5.080 125.449 120.300 0.115 0.000 3.059 547 Y HA 0.524 5.074 4.550 -0.001 0.000 0.212 547 Y C 1.646 177.671 175.900 0.208 0.000 0.947 547 Y CA 0.940 59.130 58.100 0.150 0.000 1.571 547 Y CB 0.318 38.854 38.460 0.127 0.000 1.432 547 Y HN 0.940 nan 8.280 nan 0.000 0.450 548 A N 0.946 123.887 122.820 0.201 0.000 2.847 548 A HA -0.180 4.139 4.320 -0.001 0.000 0.263 548 A C 0.800 178.202 177.584 -0.303 0.000 1.391 548 A CA 0.828 52.911 52.037 0.076 0.000 0.866 548 A CB -2.482 16.627 19.000 0.182 0.000 1.057 548 A HN 0.857 nan 8.150 nan 0.000 0.673 549 G N -0.939 107.419 108.800 -0.736 0.000 2.606 549 G HA2 0.488 4.448 3.960 -0.001 0.000 0.252 549 G HA3 0.488 4.448 3.960 -0.001 0.000 0.252 549 G C -2.249 172.343 174.900 -0.514 0.000 1.206 549 G CA -0.932 43.355 45.100 -1.355 0.000 0.861 549 G HN 0.278 nan 8.290 nan 0.000 0.561 550 P HA 0.054 nan 4.420 nan 0.000 0.261 550 P C 0.580 177.759 177.300 -0.202 0.000 1.183 550 P CA 0.199 63.034 63.100 -0.441 0.000 0.761 550 P CB 0.614 31.617 31.700 -1.162 0.000 0.785 551 C N 2.685 121.932 119.300 -0.089 0.000 4.456 551 C HA -0.145 4.314 4.460 -0.001 0.000 0.288 551 C C 0.859 175.883 174.990 0.056 0.000 1.374 551 C CA 1.036 59.964 59.018 -0.149 0.000 1.956 551 C CB -2.751 24.740 27.740 -0.416 0.000 1.255 551 C HN 0.765 nan 8.230 nan 0.000 0.788 552 S N 0.049 115.847 115.700 0.163 0.000 2.617 552 S HA 0.599 5.069 4.470 -0.001 0.000 0.269 552 S C -0.620 174.173 174.600 0.323 0.000 1.292 552 S CA -0.107 58.285 58.200 0.320 0.000 1.010 552 S CB 1.762 65.191 63.200 0.382 0.000 0.944 552 S HN 0.788 nan 8.310 nan 0.000 0.536 553 Q N 0.016 120.024 119.800 0.347 0.000 2.309 553 Q HA 0.354 4.693 4.340 -0.001 0.000 0.254 553 Q C -0.802 175.323 176.000 0.208 0.000 0.938 553 Q CA -0.532 55.449 55.803 0.296 0.000 0.789 553 Q CB 0.988 29.930 28.738 0.339 0.000 1.313 553 Q HN 0.687 nan 8.270 nan 0.000 0.438 554 K N 1.077 121.597 120.400 0.201 0.000 2.402 554 K HA 0.357 4.677 4.320 -0.001 0.000 0.204 554 K C -0.592 176.105 176.600 0.161 0.000 1.056 554 K CA 0.202 56.594 56.287 0.175 0.000 1.069 554 K CB 1.707 34.340 32.500 0.222 0.000 0.888 554 K HN 0.486 nan 8.250 nan 0.000 0.546 555 A N 2.600 125.520 122.820 0.167 0.000 2.293 555 A HA 0.496 4.816 4.320 -0.001 0.000 0.312 555 A C -0.851 176.786 177.584 0.088 0.000 1.309 555 A CA -0.491 51.643 52.037 0.162 0.000 0.839 555 A CB 0.338 19.492 19.000 0.256 0.000 1.155 555 A HN 0.249 nan 8.150 nan 0.000 0.501 556 D N -0.109 120.319 120.400 0.046 0.000 2.838 556 D HA 0.380 5.020 4.640 -0.001 0.000 0.334 556 D C 0.318 176.618 176.300 -0.001 0.000 1.315 556 D CA 0.343 54.354 54.000 0.018 0.000 0.917 556 D CB 0.178 40.992 40.800 0.024 0.000 1.435 556 D HN 0.206 nan 8.370 nan 0.000 0.517 557 T N -2.174 112.396 114.554 0.028 0.000 3.186 557 T HA 0.356 4.706 4.350 -0.001 0.000 0.257 557 T C 0.327 174.986 174.700 -0.070 0.000 1.029 557 T CA -0.362 61.752 62.100 0.024 0.000 0.916 557 T CB -0.653 68.277 68.868 0.104 0.000 1.041 557 T HN 0.283 nan 8.240 nan 0.000 0.562 558 V N 2.651 122.412 119.914 -0.255 0.000 2.614 558 V HA 0.359 4.478 4.120 -0.001 0.000 0.291 558 V C 0.065 176.096 176.094 -0.104 0.000 1.049 558 V CA -1.058 61.057 62.300 -0.307 0.000 1.038 558 V CB 0.151 31.664 31.823 -0.516 0.000 0.980 558 V HN 0.570 nan 8.190 nan 0.000 0.481 559 F N 6.387 126.243 119.950 -0.158 0.000 2.427 559 F HA 0.594 5.120 4.527 -0.001 0.000 0.352 559 F C 0.463 176.206 175.800 -0.095 0.000 1.100 559 F CA -0.149 57.784 58.000 -0.112 0.000 1.191 559 F CB 0.360 39.306 39.000 -0.090 0.000 1.128 559 F HN 0.430 nan 8.300 nan 0.000 0.533 560 R N 6.205 126.190 120.500 -0.860 0.000 2.725 560 R HA 0.547 4.887 4.340 -0.001 0.000 0.277 560 R C -1.697 174.149 176.300 -0.757 0.000 0.987 560 R CA -1.096 54.656 56.100 -0.580 0.000 0.901 560 R CB 2.162 32.288 30.300 -0.289 0.000 1.207 560 R HN 0.669 nan 8.270 nan 0.000 0.463 561 L N 3.877 124.873 121.223 -0.379 0.000 2.324 561 L HA 0.414 4.754 4.340 -0.001 0.000 0.274 561 L C -0.621 176.227 176.870 -0.037 0.000 1.012 561 L CA -0.640 54.041 54.840 -0.264 0.000 0.859 561 L CB 0.682 42.750 42.059 0.014 0.000 1.224 561 L HN 0.764 nan 8.230 nan 0.000 0.429 562 N N 0.500 119.095 118.700 -0.174 0.000 3.479 562 N HA 0.161 4.900 4.740 -0.001 0.000 0.336 562 N C 0.153 175.327 175.510 -0.559 0.000 1.623 562 N CA -0.872 51.986 53.050 -0.320 0.000 0.759 562 N CB 0.198 38.604 38.487 -0.135 0.000 2.016 562 N HN 0.316 nan 8.380 nan 0.000 0.637 563 W N 0.612 121.336 121.300 -0.961 0.000 2.358 563 W HA 0.210 4.870 4.660 -0.001 0.000 0.303 563 W C 2.058 178.523 176.519 -0.090 0.000 1.208 563 W CA 2.806 59.823 57.345 -0.548 0.000 1.274 563 W CB -0.949 28.301 29.460 -0.350 0.000 1.138 563 W HN 0.702 nan 8.180 nan 0.000 0.515 564 A N -0.532 122.250 122.820 -0.063 0.000 1.978 564 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 564 A C 1.921 179.383 177.584 -0.203 0.000 1.170 564 A CA 2.415 54.355 52.037 -0.162 0.000 0.636 564 A CB -1.233 17.757 19.000 -0.017 0.000 0.810 564 A HN 0.302 nan 8.150 nan 0.000 0.448 565 T N -1.507 112.933 114.554 -0.190 0.000 2.746 565 T HA -0.171 4.179 4.350 -0.001 0.000 0.267 565 T C 1.776 176.447 174.700 -0.047 0.000 1.039 565 T CA 1.615 63.563 62.100 -0.254 0.000 1.142 565 T CB -0.450 68.073 68.868 -0.575 0.000 0.866 565 T HN 0.714 nan 8.240 nan 0.000 0.444 566 Y N 1.687 122.030 120.300 0.071 0.000 2.200 566 Y HA -0.012 4.538 4.550 -0.000 0.000 0.290 566 Y C 1.946 177.815 175.900 -0.053 0.000 1.137 566 Y CA 1.017 59.219 58.100 0.170 0.000 1.163 566 Y CB -0.489 38.073 38.460 0.169 0.000 0.988 566 Y HN 0.088 nan 8.280 nan 0.000 0.518 567 L N 0.277 121.078 121.223 -0.705 0.000 2.083 567 L HA -0.172 4.168 4.340 -0.001 0.000 0.209 567 L C 2.821 179.424 176.870 -0.445 0.000 1.083 567 L CA 1.182 55.537 54.840 -0.810 0.000 0.752 567 L CB -0.805 40.822 42.059 -0.719 0.000 0.899 567 L HN 0.421 nan 8.230 nan 0.000 0.433 568 A N -1.203 121.433 122.820 -0.305 0.000 1.874 568 A HA -0.158 4.162 4.320 -0.001 0.000 0.214 568 A C 2.507 179.999 177.584 -0.153 0.000 1.189 568 A CA 1.574 53.485 52.037 -0.210 0.000 0.615 568 A CB -0.562 18.309 19.000 -0.215 0.000 0.830 568 A HN 0.327 nan 8.150 nan 0.000 0.443 569 S N -1.169 114.457 115.700 -0.122 0.000 2.368 569 S HA -0.104 4.365 4.470 -0.001 0.000 0.224 569 S C 1.913 176.509 174.600 -0.006 0.000 1.029 569 S CA 2.248 60.425 58.200 -0.038 0.000 0.988 569 S CB -0.341 62.890 63.200 0.052 0.000 0.838 569 S HN 0.536 nan 8.310 nan 0.000 0.462 570 T N 0.937 115.459 114.554 -0.054 0.000 3.021 570 T HA 0.215 4.565 4.350 -0.001 0.000 0.245 570 T C 1.293 175.948 174.700 -0.074 0.000 1.028 570 T CA 0.447 62.537 62.100 -0.018 0.000 1.139 570 T CB -0.020 68.895 68.868 0.079 0.000 0.884 570 T HN 0.296 nan 8.240 nan 0.000 0.457 571 E N 1.215 121.288 120.200 -0.211 0.000 2.481 571 E HA 0.196 4.546 4.350 -0.001 0.000 0.198 571 E C -0.021 176.557 176.600 -0.037 0.000 1.027 571 E CA -0.072 56.248 56.400 -0.133 0.000 0.900 571 E CB -0.179 29.383 29.700 -0.229 0.000 0.993 571 E HN 0.524 nan 8.360 nan 0.000 0.482 572 N N 0.588 119.276 118.700 -0.021 0.000 2.735 572 N HA -0.191 4.548 4.740 -0.001 0.000 0.248 572 N C -0.726 174.863 175.510 0.131 0.000 1.083 572 N CA 0.261 53.370 53.050 0.099 0.000 0.703 572 N CB -1.263 37.338 38.487 0.189 0.000 1.005 572 N HN 0.202 nan 8.380 nan 0.000 0.550 573 I N 0.907 121.477 120.570 -0.001 0.000 2.392 573 I HA 0.333 4.503 4.170 -0.001 0.000 0.295 573 I C 0.649 176.728 176.117 -0.063 0.000 0.985 573 I CA -0.765 60.541 61.300 0.011 0.000 1.221 573 I CB 1.261 39.278 38.000 0.028 0.000 1.366 573 I HN 0.030 nan 8.210 nan 0.000 0.467 574 I N 6.322 126.864 120.570 -0.047 0.000 2.416 574 I HA 0.151 4.321 4.170 -0.001 0.000 0.288 574 I C -0.419 175.664 176.117 -0.055 0.000 1.051 574 I CA -0.397 60.827 61.300 -0.127 0.000 1.375 574 I CB 1.074 39.003 38.000 -0.119 0.000 1.407 574 I HN 0.203 nan 8.210 nan 0.000 0.516 575 V N 6.919 126.783 119.914 -0.083 0.000 2.328 575 V HA 0.571 4.691 4.120 -0.001 0.000 0.278 575 V C 0.366 176.467 176.094 0.012 0.000 1.021 575 V CA -0.450 61.854 62.300 0.006 0.000 0.838 575 V CB 1.050 32.872 31.823 -0.001 0.000 0.999 575 V HN 0.827 nan 8.190 nan 0.000 0.447 576 A N 4.075 126.929 122.820 0.055 0.000 2.337 576 A HA 0.940 5.260 4.320 -0.001 0.000 0.331 576 A C -0.103 177.612 177.584 0.218 0.000 1.137 576 A CA -0.470 51.581 52.037 0.023 0.000 0.807 576 A CB 1.639 20.455 19.000 -0.307 0.000 1.250 576 A HN 0.679 nan 8.150 nan 0.000 0.468 577 S N -0.309 115.568 115.700 0.296 0.000 2.599 577 S HA 0.793 5.263 4.470 -0.001 0.000 0.287 577 S C -1.483 173.475 174.600 0.597 0.000 1.105 577 S CA -0.306 58.133 58.200 0.398 0.000 0.899 577 S CB 1.397 64.774 63.200 0.295 0.000 1.100 577 S HN 0.766 nan 8.310 nan 0.000 0.482 578 F N 1.574 121.764 119.950 0.400 0.000 2.574 578 F HA 0.437 4.964 4.527 -0.000 0.000 0.313 578 F C -1.665 174.348 175.800 0.356 0.000 1.130 578 F CA -0.655 57.608 58.000 0.437 0.000 0.936 578 F CB 1.468 40.708 39.000 0.399 0.000 1.219 578 F HN 0.385 nan 8.300 nan 0.000 0.445 579 D N 4.544 124.798 120.400 -0.242 0.000 2.443 579 D HA 0.418 5.058 4.640 -0.001 0.000 0.221 579 D C 0.297 176.409 176.300 -0.314 0.000 1.097 579 D CA 0.186 54.133 54.000 -0.089 0.000 0.865 579 D CB 1.494 42.359 40.800 0.107 0.000 1.034 579 D HN 0.756 nan 8.370 nan 0.000 0.511 580 G N 1.244 110.012 108.800 -0.053 0.000 2.828 580 G HA2 0.332 4.292 3.960 -0.001 0.000 0.244 580 G HA3 0.332 4.292 3.960 -0.001 0.000 0.244 580 G C -0.039 174.978 174.900 0.196 0.000 1.365 580 G CA -0.826 44.296 45.100 0.038 0.000 1.041 580 G HN 0.294 nan 8.290 nan 0.000 0.560 581 R N -0.545 120.025 120.500 0.116 0.000 2.537 581 R HA 0.332 4.671 4.340 -0.001 0.000 0.281 581 R C 1.222 177.644 176.300 0.202 0.000 0.988 581 R CA 1.565 57.794 56.100 0.214 0.000 1.077 581 R CB 0.287 30.664 30.300 0.128 0.000 0.932 581 R HN 1.097 nan 8.270 nan 0.000 0.409 582 G N 1.277 110.183 108.800 0.178 0.000 2.259 582 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.217 582 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.217 582 G C 0.159 175.110 174.900 0.086 0.000 1.001 582 G CA 0.024 45.206 45.100 0.136 0.000 0.627 582 G HN 0.729 nan 8.290 nan 0.000 0.501 583 S N 0.542 116.311 115.700 0.114 0.000 2.584 583 S HA 0.612 5.081 4.470 -0.001 0.000 0.270 583 S C 0.881 175.494 174.600 0.022 0.000 1.346 583 S CA 0.649 58.911 58.200 0.103 0.000 1.018 583 S CB 1.667 64.963 63.200 0.160 0.000 0.899 583 S HN 1.703 nan 8.310 nan 0.000 0.542 584 G N -0.740 108.046 108.800 -0.024 0.000 2.705 584 G HA2 0.515 4.474 3.960 -0.001 0.000 0.299 584 G HA3 0.515 4.474 3.960 -0.001 0.000 0.299 584 G C -0.839 173.973 174.900 -0.148 0.000 1.315 584 G CA -1.079 43.850 45.100 -0.285 0.000 1.045 584 G HN 1.029 nan 8.290 nan 0.000 0.517 585 Y N -2.376 117.914 120.300 -0.017 0.000 4.668 585 Y HA -0.236 4.314 4.550 -0.001 0.000 0.234 585 Y C 1.443 177.333 175.900 -0.016 0.000 1.056 585 Y CA 1.096 59.191 58.100 -0.008 0.000 2.025 585 Y CB -1.820 36.655 38.460 0.025 0.000 1.613 585 Y HN 0.500 nan 8.280 nan 0.000 0.653 586 Q N 0.063 119.857 119.800 -0.010 0.000 2.093 586 Q HA 0.485 4.824 4.340 -0.001 0.000 0.217 586 Q C 0.831 176.669 176.000 -0.270 0.000 0.785 586 Q CA 0.237 56.030 55.803 -0.017 0.000 1.038 586 Q CB 1.901 30.639 28.738 -0.000 0.000 1.190 586 Q HN 0.551 nan 8.270 nan 0.000 0.468 587 G N 0.738 109.235 108.800 -0.505 0.000 2.650 587 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.686 587 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.686 587 G C -0.533 173.983 174.900 -0.639 0.000 1.205 587 G CA -0.606 43.932 45.100 -0.936 0.000 0.781 587 G HN 0.076 nan 8.290 nan 0.000 0.648 588 D N 0.223 120.225 120.400 -0.663 0.000 2.263 588 D HA -0.055 4.585 4.640 -0.001 0.000 0.208 588 D C 2.390 178.431 176.300 -0.431 0.000 0.971 588 D CA 1.334 54.923 54.000 -0.686 0.000 0.867 588 D CB 0.073 40.483 40.800 -0.651 0.000 0.929 588 D HN 0.603 nan 8.370 nan 0.000 0.492 589 K N 0.089 120.294 120.400 -0.325 0.000 2.032 589 K HA -0.081 4.238 4.320 -0.001 0.000 0.209 589 K C 2.195 178.726 176.600 -0.115 0.000 1.048 589 K CA 0.847 57.029 56.287 -0.175 0.000 0.927 589 K CB -0.014 32.399 32.500 -0.145 0.000 0.712 589 K HN 0.197 nan 8.250 nan 0.000 0.441 590 I N 0.521 121.012 120.570 -0.133 0.000 2.333 590 I HA -0.180 3.990 4.170 -0.001 0.000 0.246 590 I C 2.590 178.705 176.117 -0.004 0.000 1.106 590 I CA 0.722 62.013 61.300 -0.015 0.000 1.411 590 I CB -0.033 37.967 38.000 -0.000 0.000 1.082 590 I HN 0.197 nan 8.210 nan 0.000 0.420 591 M N -0.006 119.515 119.600 -0.131 0.000 2.200 591 M HA -0.174 4.305 4.480 -0.001 0.000 0.265 591 M C 1.554 177.885 176.300 0.051 0.000 1.066 591 M CA 1.780 57.022 55.300 -0.097 0.000 1.127 591 M CB -0.094 32.333 32.600 -0.289 0.000 1.379 591 M HN 0.225 nan 8.290 nan 0.000 0.420 592 H N -0.220 118.750 119.070 -0.168 0.000 2.524 592 H HA 0.334 4.890 4.556 -0.001 0.000 0.280 592 H C 1.628 176.964 175.328 0.014 0.000 1.018 592 H CA 0.504 56.448 56.048 -0.174 0.000 1.165 592 H CB -0.307 29.262 29.762 -0.322 0.000 1.411 592 H HN 0.453 nan 8.280 nan 0.000 0.569 593 A N 0.900 123.826 122.820 0.177 0.000 2.015 593 A HA -0.090 4.230 4.320 -0.001 0.000 0.219 593 A C 1.723 179.515 177.584 0.347 0.000 1.163 593 A CA 1.177 53.326 52.037 0.186 0.000 0.646 593 A CB -0.435 18.630 19.000 0.108 0.000 0.806 593 A HN 0.329 nan 8.150 nan 0.000 0.448 594 I N -2.033 118.731 120.570 0.323 0.000 3.861 594 I HA 0.161 4.331 4.170 -0.001 0.000 0.329 594 I C 0.348 176.580 176.117 0.191 0.000 1.321 594 I CA -1.001 60.458 61.300 0.265 0.000 1.126 594 I CB -1.227 36.897 38.000 0.206 0.000 1.018 594 I HN 0.195 nan 8.210 nan 0.000 0.407 595 N N 3.022 121.870 118.700 0.247 0.000 2.357 595 N HA -0.090 4.650 4.740 -0.001 0.000 0.257 595 N C 0.260 175.817 175.510 0.078 0.000 1.250 595 N CA 0.289 53.475 53.050 0.227 0.000 0.862 595 N CB 0.295 38.861 38.487 0.131 0.000 1.066 595 N HN 0.345 nan 8.380 nan 0.000 0.468 596 R N 0.671 121.195 120.500 0.040 0.000 4.000 596 R HA -0.222 4.118 4.340 -0.001 0.000 0.348 596 R C -0.101 176.105 176.300 -0.157 0.000 1.204 596 R CA 0.955 57.031 56.100 -0.039 0.000 0.987 596 R CB -0.997 29.295 30.300 -0.014 0.000 1.446 596 R HN 0.598 nan 8.270 nan 0.000 0.555 597 R N 0.468 120.869 120.500 -0.166 0.000 2.711 597 R HA 0.229 4.568 4.340 -0.001 0.000 0.350 597 R C -0.959 175.296 176.300 -0.075 0.000 1.146 597 R CA -0.437 55.431 56.100 -0.387 0.000 1.190 597 R CB 0.513 30.579 30.300 -0.390 0.000 1.312 597 R HN -0.093 nan 8.270 nan 0.000 0.635 598 L N 0.070 121.320 121.223 0.046 0.000 2.485 598 L HA 0.252 4.592 4.340 -0.001 0.000 0.275 598 L C 1.496 178.596 176.870 0.383 0.000 1.207 598 L CA 1.679 56.589 54.840 0.116 0.000 0.855 598 L CB 0.733 42.624 42.059 -0.279 0.000 1.114 598 L HN 0.649 nan 8.230 nan 0.000 0.485 599 G N 0.973 110.033 108.800 0.432 0.000 2.137 599 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.237 599 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.237 599 G C 0.531 175.528 174.900 0.161 0.000 1.002 599 G CA 0.925 46.249 45.100 0.374 0.000 0.702 599 G HN 0.920 nan 8.290 nan 0.000 0.515 600 T N -3.539 111.051 114.554 0.060 0.000 3.257 600 T HA 0.469 4.819 4.350 -0.001 0.000 0.176 600 T C 1.648 176.315 174.700 -0.056 0.000 0.892 600 T CA 0.899 62.922 62.100 -0.129 0.000 1.147 600 T CB -0.063 68.497 68.868 -0.513 0.000 1.840 600 T HN 0.172 nan 8.240 nan 0.000 0.375 601 F N 3.551 123.547 119.950 0.077 0.000 2.120 601 F HA 0.004 4.530 4.527 -0.001 0.000 0.300 601 F C 2.821 178.664 175.800 0.072 0.000 1.095 601 F CA 1.406 59.441 58.000 0.058 0.000 1.249 601 F CB -0.755 38.278 39.000 0.056 0.000 0.995 601 F HN 0.538 nan 8.300 nan 0.000 0.480 602 E N 0.814 121.177 120.200 0.273 0.000 2.150 602 E HA -0.124 4.226 4.350 -0.001 0.000 0.193 602 E C 2.151 178.862 176.600 0.186 0.000 0.985 602 E CA 1.521 58.060 56.400 0.232 0.000 0.814 602 E CB -1.054 28.787 29.700 0.236 0.000 0.752 602 E HN 0.300 nan 8.360 nan 0.000 0.466 603 V N 1.815 121.812 119.914 0.139 0.000 2.283 603 V HA -0.225 3.894 4.120 -0.001 0.000 0.243 603 V C 2.393 178.519 176.094 0.053 0.000 1.039 603 V CA 2.210 64.544 62.300 0.057 0.000 1.016 603 V CB -0.632 31.185 31.823 -0.011 0.000 0.650 603 V HN 0.222 nan 8.190 nan 0.000 0.449 604 E N 0.234 120.479 120.200 0.074 0.000 2.058 604 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 604 E C 1.930 178.548 176.600 0.030 0.000 0.997 604 E CA 1.644 58.081 56.400 0.062 0.000 0.801 604 E CB -0.258 29.509 29.700 0.111 0.000 0.746 604 E HN 0.575 nan 8.360 nan 0.000 0.450 605 D N 0.301 120.735 120.400 0.057 0.000 2.218 605 D HA -0.137 4.502 4.640 -0.001 0.000 0.204 605 D C 1.933 178.160 176.300 -0.122 0.000 0.976 605 D CA 0.756 54.748 54.000 -0.014 0.000 0.853 605 D CB -0.101 40.766 40.800 0.112 0.000 0.939 605 D HN 0.116 nan 8.370 nan 0.000 0.481 606 Q N -0.035 119.779 119.800 0.023 0.000 2.123 606 Q HA 0.005 4.345 4.340 -0.001 0.000 0.199 606 Q C 2.521 178.543 176.000 0.036 0.000 0.966 606 Q CA 0.432 56.261 55.803 0.042 0.000 0.845 606 Q CB 0.011 28.821 28.738 0.120 0.000 0.907 606 Q HN 0.420 nan 8.270 nan 0.000 0.439 607 I N 0.629 121.237 120.570 0.063 0.000 2.202 607 I HA -0.252 3.918 4.170 -0.001 0.000 0.242 607 I C 2.376 178.440 176.117 -0.090 0.000 1.091 607 I CA 1.084 62.468 61.300 0.139 0.000 1.368 607 I CB -0.137 37.933 38.000 0.117 0.000 1.058 607 I HN 0.144 nan 8.210 nan 0.000 0.410 608 E N 1.436 121.525 120.200 -0.186 0.000 2.077 608 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 608 E C 2.092 178.384 176.600 -0.513 0.000 0.989 608 E CA 1.667 57.893 56.400 -0.289 0.000 0.800 608 E CB -0.206 29.341 29.700 -0.255 0.000 0.746 608 E HN 0.411 nan 8.360 nan 0.000 0.452 609 A N 0.941 123.298 122.820 -0.772 0.000 1.892 609 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 609 A C 2.494 179.402 177.584 -1.128 0.000 1.188 609 A CA 2.618 53.895 52.037 -1.265 0.000 0.631 609 A CB -1.270 16.857 19.000 -1.456 0.000 0.822 609 A HN 0.406 nan 8.150 nan 0.000 0.447 610 A N -0.337 122.192 122.820 -0.485 0.000 1.908 610 A HA -0.214 4.106 4.320 -0.001 0.000 0.218 610 A C 2.254 179.636 177.584 -0.337 0.000 1.181 610 A CA 1.682 53.565 52.037 -0.257 0.000 0.627 610 A CB -0.525 18.296 19.000 -0.299 0.000 0.818 610 A HN 0.592 nan 8.150 nan 0.000 0.445 611 R N -0.824 119.464 120.500 -0.354 0.000 2.073 611 R HA -0.142 4.197 4.340 -0.001 0.000 0.234 611 R C 2.441 178.564 176.300 -0.295 0.000 1.134 611 R CA 1.465 57.397 56.100 -0.280 0.000 0.952 611 R CB -0.432 29.730 30.300 -0.229 0.000 0.850 611 R HN 0.591 nan 8.270 nan 0.000 0.433 612 Q N 0.095 119.641 119.800 -0.422 0.000 2.096 612 Q HA -0.157 4.183 4.340 -0.001 0.000 0.204 612 Q C 2.124 177.940 176.000 -0.307 0.000 0.982 612 Q CA 1.489 57.060 55.803 -0.388 0.000 0.850 612 Q CB -0.299 28.142 28.738 -0.496 0.000 0.901 612 Q HN 0.289 nan 8.270 nan 0.000 0.422 613 F N 1.504 121.303 119.950 -0.251 0.000 2.126 613 F HA -0.196 4.330 4.527 -0.001 0.000 0.299 613 F C 2.735 178.359 175.800 -0.294 0.000 1.096 613 F CA 1.306 59.148 58.000 -0.262 0.000 1.255 613 F CB -1.395 37.502 39.000 -0.170 0.000 0.997 613 F HN 0.063 nan 8.300 nan 0.000 0.479 614 S N 0.193 115.843 115.700 -0.083 0.000 2.370 614 S HA -0.231 4.239 4.470 -0.001 0.000 0.226 614 S C 1.873 176.370 174.600 -0.172 0.000 1.033 614 S CA 1.190 59.309 58.200 -0.133 0.000 1.011 614 S CB -0.701 62.421 63.200 -0.130 0.000 0.852 614 S HN 0.395 nan 8.310 nan 0.000 0.457 615 K N 0.838 121.139 120.400 -0.164 0.000 2.211 615 K HA 0.069 4.389 4.320 -0.001 0.000 0.204 615 K C 2.041 178.536 176.600 -0.174 0.000 1.047 615 K CA 1.280 57.480 56.287 -0.146 0.000 0.935 615 K CB -0.388 32.037 32.500 -0.125 0.000 0.728 615 K HN 0.440 nan 8.250 nan 0.000 0.452 616 M N -0.703 118.741 119.600 -0.261 0.000 2.446 616 M HA -0.083 4.397 4.480 -0.001 0.000 0.263 616 M C 1.301 177.321 176.300 -0.467 0.000 1.066 616 M CA 1.330 56.407 55.300 -0.371 0.000 1.087 616 M CB 0.031 32.297 32.600 -0.557 0.000 1.406 616 M HN 0.506 nan 8.290 nan 0.000 0.459 617 G N 0.503 109.064 108.800 -0.399 0.000 2.199 617 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.254 617 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.254 617 G C 0.406 175.241 174.900 -0.108 0.000 0.982 617 G CA 0.317 45.291 45.100 -0.210 0.000 0.632 617 G HN 0.645 nan 8.290 nan 0.000 0.529 618 F N -0.131 119.875 119.950 0.093 0.000 2.708 618 F HA 0.775 5.301 4.527 -0.001 0.000 0.300 618 F C 0.108 176.023 175.800 0.192 0.000 1.118 618 F CA -1.054 57.033 58.000 0.143 0.000 1.307 618 F CB 0.405 39.527 39.000 0.204 0.000 0.986 618 F HN 0.054 nan 8.300 nan 0.000 0.522 619 V N 1.021 120.999 119.914 0.105 0.000 2.495 619 V HA 0.212 4.331 4.120 -0.001 0.000 0.298 619 V C -0.746 175.358 176.094 0.016 0.000 1.031 619 V CA -0.774 61.587 62.300 0.102 0.000 0.871 619 V CB 1.798 33.629 31.823 0.013 0.000 0.988 619 V HN 0.099 nan 8.190 nan 0.000 0.432 620 D N 3.617 124.014 120.400 -0.004 0.000 2.338 620 D HA 0.089 4.729 4.640 -0.001 0.000 0.255 620 D C 1.020 177.278 176.300 -0.070 0.000 1.237 620 D CA 0.146 54.111 54.000 -0.058 0.000 0.883 620 D CB 0.834 41.572 40.800 -0.103 0.000 1.087 620 D HN 0.431 nan 8.370 nan 0.000 0.485 621 N N 2.971 121.632 118.700 -0.064 0.000 2.348 621 N HA -0.127 4.613 4.740 -0.001 0.000 0.185 621 N C 0.982 176.456 175.510 -0.061 0.000 1.019 621 N CA 0.904 53.910 53.050 -0.073 0.000 0.880 621 N CB 0.130 38.575 38.487 -0.070 0.000 0.965 621 N HN 0.471 nan 8.380 nan 0.000 0.437 622 K N -0.283 120.088 120.400 -0.048 0.000 2.426 622 K HA 0.185 4.505 4.320 -0.001 0.000 0.193 622 K C 0.109 176.713 176.600 0.007 0.000 1.028 622 K CA 0.332 56.609 56.287 -0.018 0.000 1.047 622 K CB 0.520 33.012 32.500 -0.014 0.000 0.821 622 K HN 0.007 nan 8.250 nan 0.000 0.513 623 R N 1.243 121.710 120.500 -0.055 0.000 2.748 623 R HA 0.348 4.688 4.340 -0.001 0.000 0.283 623 R C -0.978 175.258 176.300 -0.107 0.000 1.507 623 R CA -0.120 55.913 56.100 -0.111 0.000 1.666 623 R CB 0.536 30.562 30.300 -0.457 0.000 1.237 623 R HN 0.007 nan 8.270 nan 0.000 0.633 624 I N 1.084 121.748 120.570 0.157 0.000 2.406 624 I HA 0.558 4.728 4.170 -0.001 0.000 0.290 624 I C -0.074 176.343 176.117 0.500 0.000 0.999 624 I CA -0.732 60.703 61.300 0.224 0.000 1.124 624 I CB 1.945 39.926 38.000 -0.032 0.000 1.289 624 I HN 0.314 nan 8.210 nan 0.000 0.441 625 A N 6.970 130.186 122.820 0.660 0.000 2.437 625 A HA 0.926 5.246 4.320 -0.001 0.000 0.292 625 A C -1.230 176.715 177.584 0.603 0.000 1.173 625 A CA -0.645 51.752 52.037 0.601 0.000 0.785 625 A CB 2.164 21.385 19.000 0.369 0.000 1.351 625 A HN 0.720 nan 8.150 nan 0.000 0.431 626 I N 0.204 121.026 120.570 0.420 0.000 2.802 626 I HA 0.733 4.903 4.170 -0.001 0.000 0.298 626 I C -2.005 174.361 176.117 0.414 0.000 1.176 626 I CA -0.581 60.900 61.300 0.302 0.000 1.025 626 I CB 1.786 39.675 38.000 -0.184 0.000 1.243 626 I HN 0.940 nan 8.210 nan 0.000 0.424 627 W N 6.856 128.280 121.300 0.205 0.000 3.213 627 W HA 0.823 5.483 4.660 -0.001 0.000 0.318 627 W C -1.575 175.095 176.519 0.251 0.000 1.248 627 W CA -1.005 56.476 57.345 0.227 0.000 1.187 627 W CB 0.986 30.632 29.460 0.311 0.000 1.403 627 W HN 0.831 nan 8.180 nan 0.000 0.556 628 G N 1.212 109.933 108.800 -0.133 0.000 2.646 628 G HA2 0.495 4.454 3.960 -0.001 0.000 0.291 628 G HA3 0.495 4.454 3.960 -0.001 0.000 0.291 628 G C -2.735 172.114 174.900 -0.087 0.000 1.445 628 G CA -0.728 44.154 45.100 -0.363 0.000 0.814 628 G HN 0.590 nan 8.290 nan 0.000 0.495 629 W N 1.074 122.257 121.300 -0.196 0.000 2.632 629 W HA 0.598 5.257 4.660 -0.000 0.000 0.328 629 W C 0.762 177.346 176.519 0.110 0.000 1.044 629 W CA 0.401 57.725 57.345 -0.036 0.000 1.225 629 W CB 1.817 31.256 29.460 -0.036 0.000 1.396 629 W HN 1.106 nan 8.180 nan 0.000 0.499 630 S N 2.575 118.516 115.700 0.402 0.000 4.118 630 S HA -0.413 4.057 4.470 -0.001 0.000 0.624 630 S C 1.155 175.868 174.600 0.188 0.000 1.929 630 S CA 1.646 60.105 58.200 0.431 0.000 4.219 630 S CB -1.854 61.803 63.200 0.760 0.000 0.206 630 S HN 0.719 nan 8.310 nan 0.000 0.525 631 Y N 2.026 122.331 120.300 0.009 0.000 2.207 631 Y HA -0.041 4.509 4.550 -0.001 0.000 0.287 631 Y C 2.364 178.212 175.900 -0.087 0.000 1.156 631 Y CA 2.416 60.427 58.100 -0.149 0.000 1.182 631 Y CB -0.901 37.244 38.460 -0.526 0.000 0.979 631 Y HN 0.539 nan 8.280 nan 0.000 0.521 632 G N -1.093 107.781 108.800 0.125 0.000 2.422 632 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.218 632 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.218 632 G C 1.826 176.777 174.900 0.084 0.000 1.140 632 G CA 0.715 45.898 45.100 0.140 0.000 0.775 632 G HN 0.559 nan 8.290 nan 0.000 0.545 633 G N -0.221 108.632 108.800 0.089 0.000 2.403 633 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.216 633 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.216 633 G C 1.537 176.462 174.900 0.043 0.000 1.154 633 G CA 0.950 46.077 45.100 0.046 0.000 0.784 633 G HN 0.476 nan 8.290 nan 0.000 0.538 634 Y N 1.053 121.271 120.300 -0.136 0.000 2.114 634 Y HA -0.133 4.417 4.550 -0.000 0.000 0.284 634 Y C 2.758 178.583 175.900 -0.125 0.000 1.143 634 Y CA 1.760 59.729 58.100 -0.219 0.000 1.135 634 Y CB -0.168 38.011 38.460 -0.469 0.000 0.980 634 Y HN 0.022 nan 8.280 nan 0.000 0.499 635 V N -0.146 119.649 119.914 -0.198 0.000 2.427 635 V HA -0.292 3.828 4.120 -0.001 0.000 0.248 635 V C 2.278 178.258 176.094 -0.189 0.000 1.051 635 V CA 2.289 64.459 62.300 -0.217 0.000 1.048 635 V CB -1.016 30.844 31.823 0.062 0.000 0.666 635 V HN 0.509 nan 8.190 nan 0.000 0.456 636 T N -0.010 114.487 114.554 -0.095 0.000 2.684 636 T HA -0.193 4.157 4.350 -0.001 0.000 0.267 636 T C 2.151 176.777 174.700 -0.124 0.000 1.036 636 T CA 2.057 64.108 62.100 -0.082 0.000 1.148 636 T CB -0.247 68.651 68.868 0.050 0.000 0.863 636 T HN 0.541 nan 8.240 nan 0.000 0.436 637 S N 1.129 116.785 115.700 -0.075 0.000 2.368 637 S HA -0.030 4.439 4.470 -0.001 0.000 0.225 637 S C 2.147 176.637 174.600 -0.183 0.000 1.030 637 S CA 0.937 59.113 58.200 -0.040 0.000 0.999 637 S CB -0.285 62.952 63.200 0.062 0.000 0.844 637 S HN 0.315 nan 8.310 nan 0.000 0.459 638 M N 1.011 120.421 119.600 -0.317 0.000 2.117 638 M HA -0.036 4.443 4.480 -0.001 0.000 0.262 638 M C 2.236 178.367 176.300 -0.281 0.000 1.065 638 M CA 1.111 56.212 55.300 -0.331 0.000 1.114 638 M CB -1.485 30.820 32.600 -0.492 0.000 1.361 638 M HN 0.177 nan 8.290 nan 0.000 0.408 639 V N 0.575 120.314 119.914 -0.291 0.000 2.343 639 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 639 V C 2.506 178.392 176.094 -0.346 0.000 1.051 639 V CA 1.367 63.493 62.300 -0.289 0.000 1.036 639 V CB -0.632 30.952 31.823 -0.397 0.000 0.654 639 V HN 0.411 nan 8.190 nan 0.000 0.451 640 L N 0.324 121.265 121.223 -0.469 0.000 2.275 640 L HA -0.041 4.299 4.340 -0.001 0.000 0.215 640 L C 2.146 178.439 176.870 -0.962 0.000 1.119 640 L CA 1.377 55.824 54.840 -0.655 0.000 0.790 640 L CB -0.612 40.979 42.059 -0.779 0.000 0.919 640 L HN 0.490 nan 8.230 nan 0.000 0.443 641 G N -1.540 106.764 108.800 -0.826 0.000 3.233 641 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.234 641 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.234 641 G C 1.500 176.249 174.900 -0.252 0.000 1.137 641 G CA 0.555 45.305 45.100 -0.585 0.000 0.763 641 G HN 0.405 nan 8.290 nan 0.000 0.549 642 S N -0.384 115.184 115.700 -0.220 0.000 2.414 642 S HA 0.281 4.750 4.470 -0.001 0.000 0.227 642 S C 1.945 176.499 174.600 -0.077 0.000 1.022 642 S CA 1.193 59.325 58.200 -0.113 0.000 0.958 642 S CB -0.207 62.945 63.200 -0.080 0.000 0.797 642 S HN 1.413 nan 8.310 nan 0.000 0.493 643 G N 1.044 109.791 108.800 -0.088 0.000 2.132 643 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.228 643 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.228 643 G C 0.900 175.788 174.900 -0.020 0.000 1.000 643 G CA 0.933 46.003 45.100 -0.050 0.000 0.693 643 G HN 1.271 nan 8.290 nan 0.000 0.515 644 S N -0.545 115.154 115.700 -0.003 0.000 2.428 644 S HA 0.313 4.783 4.470 -0.001 0.000 0.230 644 S C 2.567 177.173 174.600 0.009 0.000 1.014 644 S CA 1.771 59.981 58.200 0.017 0.000 0.957 644 S CB -0.211 63.028 63.200 0.065 0.000 0.784 644 S HN 2.414 nan 8.310 nan 0.000 0.499 645 G N 0.077 108.891 108.800 0.023 0.000 2.184 645 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.264 645 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.264 645 G C 0.813 175.706 174.900 -0.011 0.000 0.975 645 G CA 0.473 45.580 45.100 0.011 0.000 0.642 645 G HN 0.717 nan 8.290 nan 0.000 0.536 646 V N -0.492 119.400 119.914 -0.037 0.000 2.548 646 V HA 0.218 4.338 4.120 -0.001 0.000 0.249 646 V C 1.211 177.097 176.094 -0.347 0.000 1.055 646 V CA 1.571 63.721 62.300 -0.249 0.000 1.065 646 V CB -0.378 31.173 31.823 -0.453 0.000 0.681 646 V HN 0.320 nan 8.190 nan 0.000 0.462 647 F N -0.334 119.632 119.950 0.026 0.000 2.443 647 F HA 0.405 4.932 4.527 -0.000 0.000 0.335 647 F C 1.065 176.913 175.800 0.080 0.000 1.104 647 F CA -0.613 57.431 58.000 0.073 0.000 1.013 647 F CB 1.429 40.473 39.000 0.074 0.000 1.136 647 F HN -0.279 nan 8.300 nan 0.000 0.470 648 K N 1.466 122.037 120.400 0.285 0.000 2.243 648 K HA 0.123 4.443 4.320 -0.001 0.000 0.201 648 K C -0.220 176.514 176.600 0.223 0.000 1.051 648 K CA 0.800 57.216 56.287 0.215 0.000 0.970 648 K CB 0.229 32.858 32.500 0.216 0.000 0.755 648 K HN 0.812 nan 8.250 nan 0.000 0.465 649 c N -3.581 115.191 118.600 0.286 0.000 3.259 649 c HA 0.848 5.418 4.570 -0.001 0.000 0.344 649 c C -0.351 173.956 174.090 0.362 0.000 1.401 649 c CA -0.600 55.914 56.329 0.308 0.000 1.219 649 c CB 1.052 43.691 42.510 0.215 0.000 1.521 649 c HN 0.306 nan 8.230 nan 0.000 0.455 650 G N -0.183 108.896 108.800 0.464 0.000 2.601 650 G HA2 0.695 4.654 3.960 -0.001 0.000 0.291 650 G HA3 0.695 4.654 3.960 -0.001 0.000 0.291 650 G C -2.057 173.077 174.900 0.390 0.000 1.456 650 G CA -0.697 44.651 45.100 0.414 0.000 0.804 650 G HN 1.068 nan 8.290 nan 0.000 0.499 651 I N 0.898 121.667 120.570 0.330 0.000 2.447 651 I HA 0.588 4.757 4.170 -0.001 0.000 0.287 651 I C 0.264 176.511 176.117 0.217 0.000 1.023 651 I CA -0.937 60.447 61.300 0.140 0.000 1.083 651 I CB 2.056 40.123 38.000 0.111 0.000 1.245 651 I HN 0.651 nan 8.210 nan 0.000 0.434 652 A N 6.654 129.516 122.820 0.070 0.000 2.288 652 A HA 0.768 5.088 4.320 -0.001 0.000 0.320 652 A C -0.594 176.908 177.584 -0.136 0.000 1.217 652 A CA -0.478 51.591 52.037 0.053 0.000 0.840 652 A CB 1.050 20.146 19.000 0.159 0.000 1.179 652 A HN 0.462 nan 8.150 nan 0.000 0.504 653 V N 2.154 121.934 119.914 -0.223 0.000 2.384 653 V HA 0.565 4.684 4.120 -0.001 0.000 0.287 653 V C 0.872 176.546 176.094 -0.699 0.000 1.020 653 V CA 0.270 62.212 62.300 -0.596 0.000 0.850 653 V CB 0.702 31.893 31.823 -1.053 0.000 0.987 653 V HN 2.077 nan 8.190 nan 0.000 0.436 654 A N 5.702 128.082 122.820 -0.734 0.000 2.511 654 A HA -0.104 4.216 4.320 -0.001 0.000 0.297 654 A C -1.731 175.667 177.584 -0.310 0.000 1.476 654 A CA 0.396 51.899 52.037 -0.891 0.000 0.757 654 A CB -1.549 17.018 19.000 -0.722 0.000 1.072 654 A HN 0.615 nan 8.150 nan 0.000 0.413 655 P HA 0.399 nan 4.420 nan 0.000 0.277 655 P C 0.168 177.421 177.300 -0.079 0.000 1.240 655 P CA -0.179 62.884 63.100 -0.062 0.000 0.798 655 P CB 1.236 32.929 31.700 -0.012 0.000 0.979 656 V N 2.232 122.007 119.914 -0.233 0.000 2.583 656 V HA 0.072 4.191 4.120 -0.001 0.000 0.287 656 V C 1.745 177.636 176.094 -0.338 0.000 1.051 656 V CA 0.851 62.866 62.300 -0.476 0.000 1.010 656 V CB 0.819 31.952 31.823 -1.150 0.000 0.988 656 V HN 0.817 nan 8.190 nan 0.000 0.478 657 S N 4.210 119.760 115.700 -0.250 0.000 2.524 657 S HA 0.245 4.715 4.470 -0.001 0.000 0.222 657 S C 0.458 174.910 174.600 -0.246 0.000 1.040 657 S CA -0.376 57.751 58.200 -0.122 0.000 0.915 657 S CB 0.301 63.496 63.200 -0.008 0.000 0.831 657 S HN 0.850 nan 8.310 nan 0.000 0.492 658 R N -1.407 118.820 120.500 -0.455 0.000 2.561 658 R HA 0.445 4.785 4.340 -0.001 0.000 0.266 658 R C -0.966 174.991 176.300 -0.571 0.000 1.091 658 R CA -0.927 54.843 56.100 -0.550 0.000 0.927 658 R CB -0.210 29.787 30.300 -0.505 0.000 1.240 658 R HN 0.130 nan 8.270 nan 0.000 0.449 659 W N 1.368 122.574 121.300 -0.155 0.000 2.421 659 W HA -0.021 4.638 4.660 -0.001 0.000 0.270 659 W C 1.161 177.803 176.519 0.205 0.000 1.233 659 W CA 0.908 58.251 57.345 -0.004 0.000 1.226 659 W CB 0.154 29.522 29.460 -0.154 0.000 1.121 659 W HN 0.731 nan 8.180 nan 0.000 0.579 660 E N -0.888 119.470 120.200 0.264 0.000 2.265 660 E HA -0.203 4.146 4.350 -0.001 0.000 0.196 660 E C 1.372 178.079 176.600 0.179 0.000 0.996 660 E CA 0.919 57.403 56.400 0.141 0.000 0.832 660 E CB -0.286 29.380 29.700 -0.056 0.000 0.756 660 E HN 0.375 nan 8.360 nan 0.000 0.491 661 Y N -1.278 119.107 120.300 0.141 0.000 2.519 661 Y HA 0.022 4.572 4.550 -0.001 0.000 0.287 661 Y C 0.793 176.800 175.900 0.179 0.000 1.128 661 Y CA -0.166 57.997 58.100 0.104 0.000 1.282 661 Y CB -0.452 38.015 38.460 0.012 0.000 1.027 661 Y HN 0.025 nan 8.280 nan 0.000 0.551 662 Y N 1.854 122.300 120.300 0.243 0.000 2.392 662 Y HA 0.276 4.826 4.550 -0.000 0.000 0.323 662 Y C 0.271 176.370 175.900 0.332 0.000 1.291 662 Y CA -2.213 56.034 58.100 0.245 0.000 1.345 662 Y CB 0.364 38.982 38.460 0.264 0.000 1.320 662 Y HN 0.198 nan 8.280 nan 0.000 0.518 663 D N -0.406 119.697 120.400 -0.494 0.000 2.399 663 D HA 0.113 4.753 4.640 -0.001 0.000 0.241 663 D C 0.975 177.230 176.300 -0.076 0.000 1.133 663 D CA 0.354 54.129 54.000 -0.375 0.000 0.890 663 D CB 0.982 41.345 40.800 -0.728 0.000 1.201 663 D HN 0.495 nan 8.370 nan 0.000 0.432 664 S N 1.549 117.224 115.700 -0.043 0.000 2.351 664 S HA -0.252 4.218 4.470 -0.001 0.000 0.220 664 S C 1.910 176.529 174.600 0.032 0.000 1.035 664 S CA 1.275 59.505 58.200 0.051 0.000 1.031 664 S CB -1.063 62.174 63.200 0.062 0.000 0.928 664 S HN 0.445 nan 8.310 nan 0.000 0.433 665 V N 1.035 120.908 119.914 -0.070 0.000 2.252 665 V HA -0.214 3.905 4.120 -0.001 0.000 0.249 665 V C 2.322 178.329 176.094 -0.146 0.000 1.056 665 V CA 2.431 64.602 62.300 -0.215 0.000 1.022 665 V CB -1.139 30.407 31.823 -0.463 0.000 0.641 665 V HN 0.635 nan 8.190 nan 0.000 0.445 666 Y N 1.063 121.289 120.300 -0.124 0.000 2.133 666 Y HA -0.236 4.313 4.550 -0.001 0.000 0.287 666 Y C 2.748 178.655 175.900 0.012 0.000 1.134 666 Y CA 2.365 60.474 58.100 0.014 0.000 1.133 666 Y CB -0.491 38.150 38.460 0.302 0.000 0.987 666 Y HN 0.219 nan 8.280 nan 0.000 0.502 667 T N 0.318 115.103 114.554 0.384 0.000 2.708 667 T HA -0.201 4.149 4.350 -0.001 0.000 0.266 667 T C 1.528 176.226 174.700 -0.004 0.000 1.037 667 T CA 1.952 64.223 62.100 0.285 0.000 1.146 667 T CB -0.302 68.853 68.868 0.478 0.000 0.865 667 T HN 0.436 nan 8.240 nan 0.000 0.435 668 E N 0.470 120.681 120.200 0.018 0.000 2.268 668 E HA -0.057 4.293 4.350 -0.001 0.000 0.195 668 E C 2.334 178.831 176.600 -0.172 0.000 0.995 668 E CA 0.325 56.727 56.400 0.002 0.000 0.836 668 E CB -0.084 29.659 29.700 0.071 0.000 0.763 668 E HN 0.324 nan 8.360 nan 0.000 0.491 669 R N 0.191 120.439 120.500 -0.420 0.000 2.091 669 R HA -0.191 4.148 4.340 -0.001 0.000 0.238 669 R C 1.121 176.916 176.300 -0.842 0.000 1.136 669 R CA 1.630 57.284 56.100 -0.744 0.000 0.959 669 R CB -0.011 29.502 30.300 -1.313 0.000 0.856 669 R HN 0.256 nan 8.270 nan 0.000 0.437 670 Y N -2.164 117.837 120.300 -0.497 0.000 2.442 670 Y HA 0.253 4.803 4.550 -0.000 0.000 0.250 670 Y C 1.566 177.282 175.900 -0.305 0.000 1.113 670 Y CA -0.082 57.721 58.100 -0.493 0.000 1.273 670 Y CB 0.630 38.677 38.460 -0.688 0.000 1.138 670 Y HN -0.032 nan 8.280 nan 0.000 0.522 671 M N -0.779 118.724 119.600 -0.162 0.000 2.279 671 M HA 0.378 4.858 4.480 -0.001 0.000 0.306 671 M C 1.052 177.365 176.300 0.022 0.000 0.965 671 M CA 0.799 55.995 55.300 -0.174 0.000 1.038 671 M CB 0.343 32.645 32.600 -0.496 0.000 1.636 671 M HN 0.330 nan 8.290 nan 0.000 0.574 672 G N 2.050 110.886 108.800 0.060 0.000 2.553 672 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.242 672 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.242 672 G C -0.925 174.115 174.900 0.233 0.000 1.277 672 G CA -0.766 44.410 45.100 0.126 0.000 0.910 672 G HN 0.218 nan 8.290 nan 0.000 0.576 673 L N 2.645 123.979 121.223 0.185 0.000 2.322 673 L HA 0.583 4.923 4.340 -0.001 0.000 0.279 673 L C -1.457 175.415 176.870 0.002 0.000 1.036 673 L CA -2.013 52.887 54.840 0.100 0.000 0.807 673 L CB 1.474 43.553 42.059 0.035 0.000 1.226 673 L HN 0.431 nan 8.230 nan 0.000 0.433 674 P HA 0.107 nan 4.420 nan 0.000 0.220 674 P C -0.633 176.512 177.300 -0.259 0.000 1.806 674 P CA -0.167 62.522 63.100 -0.685 0.000 0.976 674 P CB -0.448 30.518 31.700 -1.223 0.000 1.952 675 T N -2.669 111.823 114.554 -0.103 0.000 2.942 675 T HA 0.489 4.838 4.350 -0.001 0.000 0.289 675 T C -2.188 172.507 174.700 -0.009 0.000 1.044 675 T CA -2.453 59.618 62.100 -0.049 0.000 1.023 675 T CB 1.685 70.537 68.868 -0.027 0.000 1.123 675 T HN -0.273 nan 8.240 nan 0.000 0.512 676 P HA -0.074 nan 4.420 nan 0.000 0.218 676 P C 1.173 178.486 177.300 0.022 0.000 1.149 676 P CA 0.848 63.956 63.100 0.014 0.000 0.817 676 P CB 0.083 31.788 31.700 0.008 0.000 0.785 677 E N -1.460 118.750 120.200 0.016 0.000 2.476 677 E HA 0.024 4.373 4.350 -0.001 0.000 0.191 677 E C 0.453 177.070 176.600 0.028 0.000 1.064 677 E CA 0.423 56.835 56.400 0.019 0.000 0.866 677 E CB -0.139 29.567 29.700 0.011 0.000 0.952 677 E HN 0.245 nan 8.360 nan 0.000 0.492 678 D N 1.018 121.442 120.400 0.041 0.000 3.208 678 D HA 0.038 4.677 4.640 -0.001 0.000 0.193 678 D C 0.138 176.495 176.300 0.095 0.000 1.283 678 D CA -0.206 53.831 54.000 0.061 0.000 1.473 678 D CB -0.143 40.696 40.800 0.064 0.000 1.040 678 D HN 0.008 nan 8.370 nan 0.000 0.173 679 N N 0.028 118.819 118.700 0.152 0.000 2.291 679 N HA 0.119 4.859 4.740 -0.001 0.000 0.244 679 N C 1.097 176.808 175.510 0.335 0.000 1.216 679 N CA -0.081 53.106 53.050 0.229 0.000 0.879 679 N CB 0.180 38.818 38.487 0.253 0.000 1.167 679 N HN 0.157 nan 8.380 nan 0.000 0.515 680 L N 0.517 121.859 121.223 0.197 0.000 2.021 680 L HA -0.174 4.166 4.340 -0.001 0.000 0.215 680 L C 1.196 178.178 176.870 0.186 0.000 1.074 680 L CA 2.022 56.947 54.840 0.142 0.000 0.760 680 L CB -0.560 41.516 42.059 0.029 0.000 0.889 680 L HN 0.129 nan 8.230 nan 0.000 0.433 681 D N -1.392 119.097 120.400 0.150 0.000 2.116 681 D HA -0.269 4.371 4.640 -0.001 0.000 0.193 681 D C 2.132 178.530 176.300 0.163 0.000 0.998 681 D CA 1.900 55.978 54.000 0.130 0.000 0.836 681 D CB -0.223 40.642 40.800 0.109 0.000 0.951 681 D HN 0.629 nan 8.370 nan 0.000 0.449 682 H N -1.243 117.894 119.070 0.111 0.000 2.470 682 H HA -0.021 4.535 4.556 -0.001 0.000 0.289 682 H C 1.646 177.037 175.328 0.106 0.000 1.033 682 H CA 1.055 57.147 56.048 0.073 0.000 1.331 682 H CB -0.249 29.521 29.762 0.014 0.000 1.414 682 H HN 0.168 nan 8.280 nan 0.000 0.545 683 Y N 0.237 120.528 120.300 -0.015 0.000 2.224 683 Y HA -0.167 4.383 4.550 -0.001 0.000 0.289 683 Y C 2.308 178.167 175.900 -0.068 0.000 1.146 683 Y CA 1.344 59.435 58.100 -0.016 0.000 1.182 683 Y CB 0.163 38.645 38.460 0.036 0.000 0.983 683 Y HN 0.134 nan 8.280 nan 0.000 0.524 684 R N -0.475 120.094 120.500 0.114 0.000 2.153 684 R HA -0.056 4.283 4.340 -0.001 0.000 0.218 684 R C 1.326 177.616 176.300 -0.017 0.000 1.072 684 R CA 0.955 57.077 56.100 0.036 0.000 0.990 684 R CB -0.760 29.564 30.300 0.039 0.000 0.889 684 R HN 0.367 nan 8.270 nan 0.000 0.452 685 N N 0.220 118.884 118.700 -0.060 0.000 2.412 685 N HA -0.054 4.686 4.740 -0.001 0.000 0.184 685 N C 0.311 175.747 175.510 -0.123 0.000 1.101 685 N CA 0.468 53.478 53.050 -0.066 0.000 0.881 685 N CB 0.384 38.872 38.487 0.002 0.000 0.969 685 N HN 0.100 nan 8.380 nan 0.000 0.459 686 S N -1.319 114.261 115.700 -0.200 0.000 2.601 686 S HA 0.112 4.582 4.470 -0.001 0.000 0.244 686 S C 0.407 175.048 174.600 0.069 0.000 1.001 686 S CA -0.759 57.388 58.200 -0.089 0.000 0.984 686 S CB -0.440 62.641 63.200 -0.199 0.000 0.842 686 S HN 0.156 nan 8.310 nan 0.000 0.474 687 T N -1.114 113.439 114.554 -0.001 0.000 2.922 687 T HA 0.483 4.833 4.350 -0.001 0.000 0.285 687 T C 1.349 176.050 174.700 0.002 0.000 1.005 687 T CA -0.162 61.930 62.100 -0.013 0.000 1.061 687 T CB 1.536 70.364 68.868 -0.067 0.000 1.007 687 T HN 0.434 nan 8.240 nan 0.000 0.502 688 V N 2.024 121.938 119.914 0.001 0.000 2.667 688 V HA -0.028 4.092 4.120 -0.001 0.000 0.252 688 V C 2.201 178.276 176.094 -0.032 0.000 1.065 688 V CA 1.298 63.587 62.300 -0.019 0.000 1.083 688 V CB -1.141 30.666 31.823 -0.026 0.000 0.692 688 V HN 0.855 nan 8.190 nan 0.000 0.468 689 M N 2.392 121.958 119.600 -0.057 0.000 2.106 689 M HA -0.153 4.326 4.480 -0.001 0.000 0.259 689 M C 2.485 178.761 176.300 -0.041 0.000 1.068 689 M CA 2.514 57.771 55.300 -0.072 0.000 1.100 689 M CB -0.929 31.640 32.600 -0.052 0.000 1.351 689 M HN 0.750 nan 8.290 nan 0.000 0.404 690 S N -0.094 115.593 115.700 -0.021 0.000 2.469 690 S HA -0.106 4.363 4.470 -0.001 0.000 0.238 690 S C 1.713 176.319 174.600 0.010 0.000 0.998 690 S CA 0.767 58.963 58.200 -0.007 0.000 0.957 690 S CB -0.503 62.692 63.200 -0.008 0.000 0.764 690 S HN 0.551 nan 8.310 nan 0.000 0.514 691 R N 0.581 121.099 120.500 0.029 0.000 2.359 691 R HA 0.435 4.775 4.340 -0.001 0.000 0.231 691 R C 2.200 178.596 176.300 0.159 0.000 0.913 691 R CA 0.427 56.569 56.100 0.071 0.000 1.075 691 R CB -0.317 30.023 30.300 0.066 0.000 1.087 691 R HN 0.492 nan 8.270 nan 0.000 0.515 692 A N 1.861 124.725 122.820 0.073 0.000 1.903 692 A HA -0.307 4.013 4.320 -0.001 0.000 0.219 692 A C 2.073 179.735 177.584 0.129 0.000 1.191 692 A CA 2.012 54.065 52.037 0.027 0.000 0.638 692 A CB -0.322 18.632 19.000 -0.076 0.000 0.823 692 A HN 0.283 nan 8.150 nan 0.000 0.451 693 E N 0.595 120.847 120.200 0.086 0.000 2.130 693 E HA -0.195 4.154 4.350 -0.001 0.000 0.196 693 E C 1.565 178.224 176.600 0.098 0.000 0.998 693 E CA 1.740 58.188 56.400 0.079 0.000 0.806 693 E CB -0.265 29.463 29.700 0.047 0.000 0.738 693 E HN 0.625 nan 8.360 nan 0.000 0.459 694 N N -0.539 118.218 118.700 0.096 0.000 2.512 694 N HA -0.089 4.651 4.740 -0.001 0.000 0.183 694 N C 0.770 176.279 175.510 -0.003 0.000 1.073 694 N CA 0.449 53.513 53.050 0.023 0.000 0.911 694 N CB -0.193 38.262 38.487 -0.054 0.000 0.964 694 N HN 0.223 nan 8.380 nan 0.000 0.447 695 F N 1.497 121.408 119.950 -0.066 0.000 2.699 695 F HA 0.048 4.575 4.527 -0.001 0.000 0.298 695 F C 1.901 177.712 175.800 0.017 0.000 1.154 695 F CA 0.583 58.543 58.000 -0.068 0.000 1.457 695 F CB 0.019 38.936 39.000 -0.138 0.000 1.106 695 F HN -0.059 nan 8.300 nan 0.000 0.585 696 K N -0.083 120.422 120.400 0.175 0.000 2.362 696 K HA -0.152 4.167 4.320 -0.001 0.000 0.200 696 K C 1.511 178.172 176.600 0.102 0.000 1.046 696 K CA 0.928 57.297 56.287 0.136 0.000 0.952 696 K CB -0.165 32.395 32.500 0.100 0.000 0.753 696 K HN 0.435 nan 8.250 nan 0.000 0.466 697 Q N 0.327 120.167 119.800 0.066 0.000 2.392 697 Q HA 0.034 4.373 4.340 -0.001 0.000 0.203 697 Q C 0.442 176.478 176.000 0.061 0.000 0.917 697 Q CA 0.128 55.959 55.803 0.047 0.000 0.939 697 Q CB 0.649 29.394 28.738 0.013 0.000 1.063 697 Q HN 0.130 nan 8.270 nan 0.000 0.516 698 V N -2.801 117.163 119.914 0.083 0.000 3.141 698 V HA 0.510 4.630 4.120 -0.001 0.000 0.312 698 V C -1.294 174.936 176.094 0.227 0.000 1.157 698 V CA -1.342 61.031 62.300 0.122 0.000 1.041 698 V CB 2.297 34.145 31.823 0.043 0.000 1.071 698 V HN -0.072 nan 8.190 nan 0.000 0.441 699 E N 1.454 121.819 120.200 0.275 0.000 2.134 699 E HA 0.512 4.862 4.350 -0.001 0.000 0.278 699 E C -1.729 175.242 176.600 0.619 0.000 0.959 699 E CA -0.268 56.370 56.400 0.396 0.000 0.783 699 E CB 1.569 31.428 29.700 0.265 0.000 1.095 699 E HN 0.663 nan 8.360 nan 0.000 0.399 700 Y N 3.262 123.835 120.300 0.455 0.000 2.409 700 Y HA 0.519 5.069 4.550 -0.001 0.000 0.343 700 Y C -1.658 174.328 175.900 0.143 0.000 0.973 700 Y CA -1.716 56.590 58.100 0.342 0.000 1.064 700 Y CB 1.096 39.795 38.460 0.399 0.000 1.207 700 Y HN 0.438 nan 8.280 nan 0.000 0.452 701 L N 7.578 128.535 121.223 -0.444 0.000 2.343 701 L HA 0.598 4.938 4.340 -0.001 0.000 0.278 701 L C -2.170 174.265 176.870 -0.725 0.000 0.996 701 L CA -0.762 53.651 54.840 -0.710 0.000 0.831 701 L CB 1.312 42.602 42.059 -1.281 0.000 1.232 701 L HN 0.618 nan 8.230 nan 0.000 0.413 702 L N 6.603 127.471 121.223 -0.591 0.000 2.313 702 L HA 0.704 5.044 4.340 -0.001 0.000 0.283 702 L C -1.134 175.605 176.870 -0.218 0.000 1.013 702 L CA 0.004 54.542 54.840 -0.503 0.000 0.816 702 L CB 1.198 42.970 42.059 -0.479 0.000 1.236 702 L HN 0.601 nan 8.230 nan 0.000 0.419 703 I N 4.463 124.918 120.570 -0.191 0.000 2.582 703 I HA 0.468 4.637 4.170 -0.001 0.000 0.292 703 I C -1.215 174.873 176.117 -0.048 0.000 1.066 703 I CA -0.677 60.566 61.300 -0.095 0.000 1.053 703 I CB 2.112 40.021 38.000 -0.151 0.000 1.241 703 I HN 0.683 nan 8.210 nan 0.000 0.421 704 H N 2.212 121.323 119.070 0.069 0.000 3.112 704 H HA 0.471 5.027 4.556 -0.001 0.000 0.347 704 H C -0.400 175.153 175.328 0.374 0.000 1.188 704 H CA -0.639 55.497 56.048 0.147 0.000 1.240 704 H CB 1.972 31.772 29.762 0.063 0.000 1.920 704 H HN 0.741 nan 8.280 nan 0.000 0.535 705 G N 0.849 110.012 108.800 0.603 0.000 2.390 705 G HA2 0.224 4.183 3.960 -0.001 0.000 0.270 705 G HA3 0.224 4.183 3.960 -0.001 0.000 0.270 705 G C 1.103 176.276 174.900 0.456 0.000 1.211 705 G CA 0.144 45.539 45.100 0.492 0.000 0.842 705 G HN 0.734 nan 8.290 nan 0.000 0.519 706 T N -0.778 113.899 114.554 0.204 0.000 3.023 706 T HA 0.133 4.483 4.350 -0.001 0.000 0.266 706 T C 1.689 176.358 174.700 -0.052 0.000 1.093 706 T CA 1.141 63.175 62.100 -0.110 0.000 1.129 706 T CB 0.231 68.945 68.868 -0.257 0.000 0.899 706 T HN 0.658 nan 8.240 nan 0.000 0.491 707 A N 1.139 123.995 122.820 0.060 0.000 2.610 707 A HA 0.316 4.636 4.320 -0.001 0.000 0.286 707 A C 0.430 177.945 177.584 -0.116 0.000 1.306 707 A CA -0.489 51.534 52.037 -0.024 0.000 0.942 707 A CB -0.330 18.934 19.000 0.440 0.000 1.112 707 A HN 0.354 nan 8.150 nan 0.000 0.527 708 D N 1.662 122.047 120.400 -0.025 0.000 2.342 708 D HA -0.017 4.622 4.640 -0.001 0.000 0.260 708 D C 0.492 176.778 176.300 -0.023 0.000 1.278 708 D CA 0.108 54.203 54.000 0.158 0.000 0.910 708 D CB 0.564 41.627 40.800 0.438 0.000 1.079 708 D HN 0.575 nan 8.370 nan 0.000 0.496 709 D N 1.955 122.380 120.400 0.042 0.000 2.355 709 D HA -0.104 4.536 4.640 -0.001 0.000 0.218 709 D C 0.911 177.175 176.300 -0.060 0.000 1.004 709 D CA 0.153 54.129 54.000 -0.039 0.000 0.880 709 D CB 0.335 41.067 40.800 -0.114 0.000 0.911 709 D HN 0.462 nan 8.370 nan 0.000 0.528 710 N N -0.046 118.715 118.700 0.101 0.000 2.652 710 N HA -0.012 4.728 4.740 -0.001 0.000 0.226 710 N C -0.273 175.195 175.510 -0.069 0.000 1.023 710 N CA -0.013 53.133 53.050 0.160 0.000 1.126 710 N CB 0.920 39.562 38.487 0.259 0.000 1.476 710 N HN -0.183 nan 8.380 nan 0.000 0.537 711 V N 2.725 122.623 119.914 -0.027 0.000 2.320 711 V HA 0.210 4.330 4.120 -0.001 0.000 0.265 711 V C -0.836 175.341 176.094 0.139 0.000 1.048 711 V CA -0.334 61.987 62.300 0.036 0.000 0.865 711 V CB -0.178 31.701 31.823 0.093 0.000 1.043 711 V HN 0.334 nan 8.190 nan 0.000 0.474 712 H N 3.252 122.327 119.070 0.008 0.000 2.897 712 H HA -0.014 4.542 4.556 -0.001 0.000 0.347 712 H C 0.812 175.987 175.328 -0.255 0.000 1.068 712 H CA -0.033 55.927 56.048 -0.147 0.000 1.426 712 H CB 0.731 30.323 29.762 -0.283 0.000 1.410 712 H HN 0.624 nan 8.280 nan 0.000 0.597 713 F N 2.019 121.741 119.950 -0.381 0.000 2.192 713 F HA -0.311 4.215 4.527 -0.001 0.000 0.301 713 F C 2.586 178.094 175.800 -0.487 0.000 1.079 713 F CA 1.819 59.382 58.000 -0.729 0.000 1.303 713 F CB -0.202 38.571 39.000 -0.378 0.000 1.024 713 F HN 0.678 nan 8.300 nan 0.000 0.494 714 Q N 0.217 119.875 119.800 -0.236 0.000 2.182 714 Q HA -0.340 4.000 4.340 -0.001 0.000 0.213 714 Q C 2.076 177.813 176.000 -0.439 0.000 1.000 714 Q CA 2.521 58.129 55.803 -0.326 0.000 0.889 714 Q CB -0.399 28.123 28.738 -0.360 0.000 0.932 714 Q HN 0.614 nan 8.270 nan 0.000 0.415 715 Q N -0.446 119.142 119.800 -0.355 0.000 2.084 715 Q HA -0.109 4.230 4.340 -0.001 0.000 0.202 715 Q C 2.241 178.132 176.000 -0.182 0.000 0.978 715 Q CA 1.664 57.375 55.803 -0.153 0.000 0.844 715 Q CB -0.045 28.703 28.738 0.016 0.000 0.898 715 Q HN 0.332 nan 8.270 nan 0.000 0.426 716 S N 0.662 116.158 115.700 -0.341 0.000 2.436 716 S HA 0.015 4.484 4.470 -0.001 0.000 0.228 716 S C 2.027 176.368 174.600 -0.431 0.000 1.014 716 S CA 0.651 58.652 58.200 -0.332 0.000 0.950 716 S CB -0.040 62.986 63.200 -0.290 0.000 0.784 716 S HN 0.455 nan 8.310 nan 0.000 0.504 717 A N 1.415 123.877 122.820 -0.598 0.000 1.933 717 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 717 A C 2.115 179.582 177.584 -0.194 0.000 1.175 717 A CA 1.129 52.945 52.037 -0.369 0.000 0.628 717 A CB -0.372 18.475 19.000 -0.256 0.000 0.814 717 A HN 0.361 nan 8.150 nan 0.000 0.444 718 Q N -0.552 119.140 119.800 -0.180 0.000 2.245 718 Q HA 0.036 4.375 4.340 -0.001 0.000 0.201 718 Q C 2.091 178.031 176.000 -0.099 0.000 0.955 718 Q CA 0.856 56.610 55.803 -0.083 0.000 0.870 718 Q CB -0.255 28.500 28.738 0.027 0.000 0.945 718 Q HN 0.783 nan 8.270 nan 0.000 0.461 719 I N 1.120 121.604 120.570 -0.144 0.000 2.163 719 I HA -0.269 3.901 4.170 -0.001 0.000 0.240 719 I C 2.533 178.480 176.117 -0.284 0.000 1.081 719 I CA 1.467 62.642 61.300 -0.208 0.000 1.353 719 I CB -0.445 37.437 38.000 -0.197 0.000 1.054 719 I HN 0.173 nan 8.210 nan 0.000 0.407 720 S N 0.878 116.431 115.700 -0.244 0.000 2.382 720 S HA -0.277 4.193 4.470 -0.001 0.000 0.228 720 S C 2.029 176.597 174.600 -0.055 0.000 1.027 720 S CA 1.461 59.551 58.200 -0.182 0.000 0.991 720 S CB -0.454 62.794 63.200 0.080 0.000 0.823 720 S HN 0.384 nan 8.310 nan 0.000 0.469 721 K N 1.629 121.998 120.400 -0.052 0.000 2.097 721 K HA 0.062 4.382 4.320 -0.001 0.000 0.205 721 K C 2.286 178.864 176.600 -0.037 0.000 1.050 721 K CA 1.067 57.343 56.287 -0.018 0.000 0.938 721 K CB -0.623 31.864 32.500 -0.021 0.000 0.718 721 K HN 0.450 nan 8.250 nan 0.000 0.442 722 A N 1.011 123.779 122.820 -0.087 0.000 1.930 722 A HA -0.087 4.233 4.320 -0.001 0.000 0.217 722 A C 2.045 179.565 177.584 -0.107 0.000 1.175 722 A CA 1.176 53.158 52.037 -0.091 0.000 0.627 722 A CB -0.509 18.420 19.000 -0.119 0.000 0.815 722 A HN 0.304 nan 8.150 nan 0.000 0.443 723 L N -0.741 120.371 121.223 -0.185 0.000 2.093 723 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 723 L C 2.471 179.364 176.870 0.040 0.000 1.085 723 L CA 0.773 55.516 54.840 -0.162 0.000 0.755 723 L CB -0.591 41.199 42.059 -0.447 0.000 0.904 723 L HN 0.213 nan 8.230 nan 0.000 0.435 724 V N -0.047 119.924 119.914 0.095 0.000 2.343 724 V HA -0.293 3.827 4.120 -0.001 0.000 0.247 724 V C 2.077 178.212 176.094 0.067 0.000 1.051 724 V CA 1.934 64.311 62.300 0.128 0.000 1.036 724 V CB -0.499 31.395 31.823 0.118 0.000 0.654 724 V HN 0.434 nan 8.190 nan 0.000 0.451 725 D N 0.282 120.703 120.400 0.035 0.000 2.178 725 D HA -0.104 4.535 4.640 -0.001 0.000 0.201 725 D C 1.830 178.146 176.300 0.026 0.000 0.980 725 D CA 1.693 55.707 54.000 0.023 0.000 0.842 725 D CB -0.138 40.667 40.800 0.009 0.000 0.948 725 D HN 0.555 nan 8.370 nan 0.000 0.472 726 V N -3.315 116.615 119.914 0.026 0.000 3.596 726 V HA 0.463 4.583 4.120 -0.001 0.000 0.289 726 V C 1.290 177.416 176.094 0.053 0.000 1.336 726 V CA 0.333 62.653 62.300 0.033 0.000 1.137 726 V CB -0.220 31.619 31.823 0.027 0.000 0.966 726 V HN 0.160 nan 8.190 nan 0.000 0.428 727 G N 0.442 109.282 108.800 0.066 0.000 2.221 727 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.265 727 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.265 727 G C 0.027 174.993 174.900 0.110 0.000 1.041 727 G CA 0.440 45.589 45.100 0.081 0.000 0.807 727 G HN 1.590 nan 8.290 nan 0.000 0.502 728 V N -0.366 119.635 119.914 0.146 0.000 2.407 728 V HA 0.664 4.784 4.120 -0.001 0.000 0.278 728 V C 0.266 176.548 176.094 0.314 0.000 1.037 728 V CA -0.511 61.909 62.300 0.200 0.000 0.900 728 V CB 1.613 33.551 31.823 0.192 0.000 0.983 728 V HN 0.329 nan 8.190 nan 0.000 0.459 729 D N 5.488 126.039 120.400 0.252 0.000 2.341 729 D HA 0.580 5.220 4.640 -0.001 0.000 0.245 729 D C -0.512 176.011 176.300 0.373 0.000 1.106 729 D CA 0.376 54.504 54.000 0.213 0.000 0.905 729 D CB 0.818 41.679 40.800 0.102 0.000 1.202 729 D HN 0.638 nan 8.370 nan 0.000 0.426 730 F N -0.486 119.540 119.950 0.126 0.000 2.817 730 F HA 0.432 4.959 4.527 -0.001 0.000 0.317 730 F C -1.517 174.335 175.800 0.088 0.000 1.168 730 F CA -1.174 56.923 58.000 0.162 0.000 0.911 730 F CB 0.788 39.912 39.000 0.207 0.000 1.337 730 F HN 0.070 nan 8.300 nan 0.000 0.464 731 Q N 1.392 121.273 119.800 0.134 0.000 2.266 731 Q HA 0.823 5.163 4.340 -0.001 0.000 0.261 731 Q C -0.827 175.170 176.000 -0.004 0.000 0.985 731 Q CA -0.774 55.011 55.803 -0.031 0.000 0.873 731 Q CB 2.131 30.893 28.738 0.041 0.000 1.306 731 Q HN 1.026 nan 8.270 nan 0.000 0.447 732 A N 1.676 124.460 122.820 -0.060 0.000 2.515 732 A HA 0.864 5.184 4.320 -0.001 0.000 0.296 732 A C -1.337 176.192 177.584 -0.092 0.000 1.094 732 A CA -0.570 51.465 52.037 -0.003 0.000 0.718 732 A CB 1.948 21.012 19.000 0.106 0.000 1.307 732 A HN 0.610 nan 8.150 nan 0.000 0.408 733 M N 1.299 120.828 119.600 -0.119 0.000 2.265 733 M HA 0.533 5.013 4.480 -0.001 0.000 0.262 733 M C -1.938 174.224 176.300 -0.229 0.000 1.026 733 M CA -0.598 54.477 55.300 -0.374 0.000 0.987 733 M CB 0.975 33.266 32.600 -0.516 0.000 1.937 733 M HN 0.929 nan 8.290 nan 0.000 0.481 734 W N 4.204 125.363 121.300 -0.235 0.000 2.448 734 W HA 0.770 5.430 4.660 -0.000 0.000 0.339 734 W C -1.882 174.401 176.519 -0.394 0.000 1.124 734 W CA -0.744 56.547 57.345 -0.089 0.000 1.262 734 W CB 0.311 29.750 29.460 -0.034 0.000 1.251 734 W HN 0.613 nan 8.180 nan 0.000 0.597 735 Y N 2.161 122.587 120.300 0.210 0.000 2.388 735 Y HA 0.290 4.840 4.550 -0.001 0.000 0.328 735 Y C 0.514 176.522 175.900 0.181 0.000 0.963 735 Y CA -1.089 57.053 58.100 0.070 0.000 1.240 735 Y CB 1.285 39.759 38.460 0.023 0.000 1.118 735 Y HN 0.425 nan 8.280 nan 0.000 0.484 736 T N 4.653 119.380 114.554 0.288 0.000 2.866 736 T HA -0.042 4.308 4.350 -0.001 0.000 0.293 736 T C 0.235 175.007 174.700 0.120 0.000 1.005 736 T CA 0.768 62.972 62.100 0.174 0.000 1.162 736 T CB -0.130 68.778 68.868 0.066 0.000 0.968 736 T HN 0.715 nan 8.240 nan 0.000 0.530 737 D N 0.822 121.271 120.400 0.082 0.000 3.059 737 D HA -0.127 4.513 4.640 -0.001 0.000 0.213 737 D C 0.316 176.745 176.300 0.214 0.000 1.144 737 D CA 1.165 55.164 54.000 -0.002 0.000 0.975 737 D CB -0.369 40.216 40.800 -0.359 0.000 1.125 737 D HN 0.562 nan 8.370 nan 0.000 0.412 738 E N 0.927 121.269 120.200 0.237 0.000 2.313 738 E HA 0.305 4.654 4.350 -0.001 0.000 0.272 738 E C 0.784 177.564 176.600 0.299 0.000 1.038 738 E CA -0.251 56.307 56.400 0.263 0.000 0.863 738 E CB 1.139 30.982 29.700 0.237 0.000 1.060 738 E HN 0.352 nan 8.360 nan 0.000 0.402 739 D N -0.297 120.292 120.400 0.316 0.000 2.511 739 D HA -0.008 4.632 4.640 -0.001 0.000 0.283 739 D C 1.060 177.590 176.300 0.384 0.000 1.198 739 D CA -0.163 54.048 54.000 0.352 0.000 1.097 739 D CB -0.162 40.872 40.800 0.390 0.000 1.160 739 D HN 0.412 nan 8.370 nan 0.000 0.589 740 H N -1.607 117.656 119.070 0.322 0.000 2.456 740 H HA 0.106 4.662 4.556 -0.000 0.000 0.296 740 H C 1.911 177.510 175.328 0.451 0.000 1.079 740 H CA 2.106 58.373 56.048 0.365 0.000 1.322 740 H CB -0.358 29.602 29.762 0.330 0.000 1.388 740 H HN 0.496 nan 8.280 nan 0.000 0.538 741 G N -0.222 108.768 108.800 0.318 0.000 2.623 741 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.214 741 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.214 741 G C 0.640 175.718 174.900 0.296 0.000 1.138 741 G CA 0.298 45.509 45.100 0.185 0.000 0.794 741 G HN 0.514 nan 8.290 nan 0.000 0.535 742 I N 0.134 120.899 120.570 0.326 0.000 5.071 742 I HA -0.326 3.843 4.170 -0.001 0.000 0.126 742 I C 1.467 177.710 176.117 0.211 0.000 1.290 742 I CA 0.167 61.608 61.300 0.235 0.000 2.644 742 I CB -1.079 37.041 38.000 0.200 0.000 2.208 742 I HN 0.261 nan 8.210 nan 0.000 0.322 743 A N 0.782 123.703 122.820 0.168 0.000 2.431 743 A HA 0.318 4.638 4.320 -0.001 0.000 0.239 743 A C 1.092 178.730 177.584 0.090 0.000 1.230 743 A CA 0.080 52.186 52.037 0.116 0.000 0.928 743 A CB 0.312 19.349 19.000 0.061 0.000 1.006 743 A HN 0.421 nan 8.150 nan 0.000 0.520 744 S N 0.299 116.064 115.700 0.109 0.000 2.554 744 S HA 0.048 4.517 4.470 -0.001 0.000 0.290 744 S C 1.528 176.183 174.600 0.092 0.000 1.309 744 S CA 0.516 58.773 58.200 0.095 0.000 1.047 744 S CB 1.106 64.366 63.200 0.101 0.000 0.828 744 S HN 0.549 nan 8.310 nan 0.000 0.509 745 S N 1.979 117.721 115.700 0.070 0.000 2.359 745 S HA -0.175 4.295 4.470 -0.001 0.000 0.224 745 S C 2.219 176.878 174.600 0.099 0.000 1.035 745 S CA 2.096 60.339 58.200 0.071 0.000 1.018 745 S CB -0.813 62.412 63.200 0.041 0.000 0.876 745 S HN 0.949 nan 8.310 nan 0.000 0.448 746 T N -0.179 114.422 114.554 0.079 0.000 2.821 746 T HA 0.185 4.535 4.350 -0.001 0.000 0.267 746 T C 1.927 176.681 174.700 0.089 0.000 1.046 746 T CA 1.177 63.325 62.100 0.080 0.000 1.139 746 T CB -0.725 68.181 68.868 0.063 0.000 0.871 746 T HN 0.426 nan 8.240 nan 0.000 0.454 747 A N 1.359 124.213 122.820 0.056 0.000 1.929 747 A HA -0.021 4.299 4.320 -0.001 0.000 0.216 747 A C 2.161 179.701 177.584 -0.073 0.000 1.176 747 A CA 1.763 53.763 52.037 -0.062 0.000 0.628 747 A CB -1.090 17.831 19.000 -0.131 0.000 0.816 747 A HN 0.736 nan 8.150 nan 0.000 0.444 748 H N -0.139 118.922 119.070 -0.016 0.000 2.321 748 H HA -0.132 4.424 4.556 -0.000 0.000 0.300 748 H C 2.102 177.505 175.328 0.125 0.000 1.087 748 H CA 2.317 58.416 56.048 0.085 0.000 1.319 748 H CB -0.226 29.586 29.762 0.084 0.000 1.379 748 H HN 0.553 nan 8.280 nan 0.000 0.501 749 Q N -0.797 119.016 119.800 0.022 0.000 2.061 749 Q HA -0.220 4.120 4.340 -0.001 0.000 0.204 749 Q C 2.290 178.282 176.000 -0.013 0.000 0.984 749 Q CA 1.571 57.348 55.803 -0.042 0.000 0.846 749 Q CB -0.275 28.477 28.738 0.022 0.000 0.902 749 Q HN 0.642 nan 8.270 nan 0.000 0.421 750 H N 0.570 119.613 119.070 -0.043 0.000 2.321 750 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 750 H C 2.075 177.397 175.328 -0.010 0.000 1.087 750 H CA 1.454 57.508 56.048 0.011 0.000 1.319 750 H CB -0.064 29.759 29.762 0.101 0.000 1.379 750 H HN 0.287 nan 8.280 nan 0.000 0.501 751 I N 0.115 120.653 120.570 -0.053 0.000 2.226 751 I HA -0.322 3.847 4.170 -0.001 0.000 0.245 751 I C 1.798 177.681 176.117 -0.389 0.000 1.100 751 I CA 1.257 62.431 61.300 -0.210 0.000 1.374 751 I CB -0.273 37.424 38.000 -0.506 0.000 1.057 751 I HN 0.171 nan 8.210 nan 0.000 0.413 752 Y N 0.686 120.785 120.300 -0.336 0.000 2.293 752 Y HA -0.211 4.338 4.550 -0.001 0.000 0.291 752 Y C 2.676 178.373 175.900 -0.338 0.000 1.137 752 Y CA 1.835 59.627 58.100 -0.512 0.000 1.202 752 Y CB -0.525 37.628 38.460 -0.510 0.000 0.990 752 Y HN 0.149 nan 8.280 nan 0.000 0.537 753 T N -1.643 112.837 114.554 -0.123 0.000 2.737 753 T HA -0.231 4.119 4.350 -0.001 0.000 0.265 753 T C 1.511 176.120 174.700 -0.152 0.000 1.038 753 T CA 1.810 63.807 62.100 -0.171 0.000 1.144 753 T CB -0.477 68.291 68.868 -0.165 0.000 0.866 753 T HN 0.386 nan 8.240 nan 0.000 0.434 754 H N 0.981 119.943 119.070 -0.180 0.000 2.319 754 H HA 0.051 4.606 4.556 -0.000 0.000 0.299 754 H C 2.165 177.494 175.328 0.001 0.000 1.092 754 H CA 1.689 57.702 56.048 -0.058 0.000 1.302 754 H CB -0.278 29.431 29.762 -0.088 0.000 1.373 754 H HN 0.261 nan 8.280 nan 0.000 0.497 755 M N -0.953 118.598 119.600 -0.082 0.000 2.229 755 M HA -0.143 4.336 4.480 -0.001 0.000 0.264 755 M C 2.388 178.815 176.300 0.212 0.000 1.063 755 M CA 1.353 56.602 55.300 -0.084 0.000 1.114 755 M CB 0.053 32.346 32.600 -0.512 0.000 1.387 755 M HN 0.197 nan 8.290 nan 0.000 0.420 756 S N -0.629 115.214 115.700 0.239 0.000 2.355 756 S HA -0.140 4.330 4.470 -0.001 0.000 0.222 756 S C 1.704 176.403 174.600 0.165 0.000 1.031 756 S CA 0.955 59.380 58.200 0.376 0.000 0.993 756 S CB -0.532 62.865 63.200 0.328 0.000 0.859 756 S HN 0.461 nan 8.310 nan 0.000 0.453 757 H N 0.007 119.141 119.070 0.107 0.000 2.352 757 H HA -0.055 4.501 4.556 -0.001 0.000 0.299 757 H C 1.972 177.305 175.328 0.009 0.000 1.097 757 H CA 1.365 57.428 56.048 0.025 0.000 1.311 757 H CB -0.758 28.970 29.762 -0.057 0.000 1.377 757 H HN 0.447 nan 8.280 nan 0.000 0.504 758 F N 1.185 121.122 119.950 -0.022 0.000 2.134 758 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 758 F C 2.256 178.015 175.800 -0.070 0.000 1.097 758 F CA 0.894 58.850 58.000 -0.073 0.000 1.264 758 F CB -0.211 38.720 39.000 -0.115 0.000 1.001 758 F HN -0.032 nan 8.300 nan 0.000 0.479 759 I N 0.708 121.295 120.570 0.028 0.000 2.315 759 I HA -0.241 3.929 4.170 -0.001 0.000 0.248 759 I C 2.178 178.105 176.117 -0.316 0.000 1.117 759 I CA 1.364 62.513 61.300 -0.251 0.000 1.404 759 I CB -1.288 36.636 38.000 -0.127 0.000 1.071 759 I HN 0.226 nan 8.210 nan 0.000 0.419 760 K N 0.331 120.686 120.400 -0.075 0.000 2.025 760 K HA -0.216 4.104 4.320 -0.001 0.000 0.207 760 K C 2.026 178.617 176.600 -0.016 0.000 1.049 760 K CA 1.149 57.444 56.287 0.013 0.000 0.933 760 K CB -0.277 32.278 32.500 0.091 0.000 0.714 760 K HN 0.369 nan 8.250 nan 0.000 0.438 761 Q N 0.847 120.601 119.800 -0.077 0.000 2.124 761 Q HA -0.200 4.140 4.340 -0.001 0.000 0.202 761 Q C 2.263 178.175 176.000 -0.147 0.000 0.977 761 Q CA 1.527 57.270 55.803 -0.100 0.000 0.850 761 Q CB -0.136 28.526 28.738 -0.128 0.000 0.901 761 Q HN 0.420 nan 8.270 nan 0.000 0.429 762 c N -0.248 118.169 118.600 -0.304 0.000 2.448 762 c HA 0.008 4.578 4.570 -0.001 0.000 0.280 762 c C 1.552 175.673 174.090 0.051 0.000 1.398 762 c CA 0.069 56.231 56.329 -0.277 0.000 1.774 762 c CB -0.974 41.200 42.510 -0.559 0.000 1.888 762 c HN 0.566 nan 8.230 nan 0.000 0.519 763 F N 1.578 121.492 119.950 -0.059 0.000 2.653 763 F HA 0.276 4.803 4.527 -0.001 0.000 0.304 763 F C 1.517 177.305 175.800 -0.020 0.000 1.092 763 F CA 0.054 58.041 58.000 -0.022 0.000 1.279 763 F CB -0.978 38.017 39.000 -0.008 0.000 1.044 763 F HN 0.226 nan 8.300 nan 0.000 0.564 764 S N 0.885 116.673 115.700 0.146 0.000 3.641 764 S HA -0.216 4.253 4.470 -0.001 0.000 0.346 764 S C -0.061 174.585 174.600 0.077 0.000 1.074 764 S CA 0.161 58.407 58.200 0.078 0.000 1.026 764 S CB -2.375 60.859 63.200 0.056 0.000 0.908 764 S HN 0.252 nan 8.310 nan 0.000 0.479 765 L N 1.168 122.449 121.223 0.097 0.000 2.264 765 L HA 0.530 4.870 4.340 -0.001 0.000 0.289 765 L C -1.770 175.142 176.870 0.071 0.000 1.044 765 L CA -1.875 53.016 54.840 0.085 0.000 0.807 765 L CB 0.713 42.838 42.059 0.111 0.000 1.192 765 L HN 0.028 nan 8.230 nan 0.000 0.425 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.057 0.000 0.800 766 P CB 0.000 31.725 31.700 0.041 0.000 0.726