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 1urj_1_B DATA FIRST_RESID 9 DATA SEQUENCE TTIKVPPGPL GYVYARACPS EGIELLALLS ARSGDSDVAV APLVVGLTVE DATA SEQUENCE SGFEANVAVV VGSRTTXXXX XAVSLKLTPS HYSSSVYVFH GGRHLDPSTQ DATA SEQUENCE APNLTRLCER ARRHFGFSDY TPRPGDLKHE TTGEALCERL GLDPDRALLY DATA SEQUENCE LVVTEGFKEA VCINNTFLHL GGSDKVTIGG AEVHRIPVYP LQLFMPDFSR DATA SEQUENCE VIAEPFNANH RSIGEKFTYP LPFFNRPLNR LLFEAVVGPA AVALRSRNVD DATA SEQUENCE AVARAAAHLA FDENHEGAAL PADITFTAFX XXXXXXXXXX XXXXXXXXXG DATA SEQUENCE GFEQRLASVM AGDAALALES IVSMAVFDEP PTDISAWPLF EGQDTAAARA DATA SEQUENCE NAVGAYLARA AGLVGAMVFS TNSALHLTEV DDAGPAXXXX HSKPSFYRFF DATA SEQUENCE LVPGTHVAAN PQVDREGHVV PGFEGRPTAP LVGGTQEFAG EHLAMLSGFS DATA SEQUENCE PALLAKMLFY LERCDGAVIV XXXXMDVFRY VADSNQTDVP CNLCTFDTRH DATA SEQUENCE ACVHTTLMRL RARHPKFASA ARGAIGVFGT MNSMYSDCDV LGNYAXXXXX DATA SEQUENCE XXXXXXXXXX XXXXETYRAA TERVMAELET LQYVDQAVPT AMGRLETIIT DATA SEQUENCE NREALHTVVN NVRQVVDREV EQLMRNLVEX XXFKFRDGLG EANHAMSLTL DATA SEQUENCE DPYACGPCPL LQLLGRRSNL AVYQDLALSQ CHGVFAGQSV EGRNFRNQFQ DATA SEQUENCE PVLRRRVMDM FNNGFLSAKT LTVALSEGAA ICAPSLTAGQ TAPAESSFEG DATA SEQUENCE DVARVTLGFP KELRVKSRVL FXXXXXXXXX XXXXXXXXXX SAYQKPDKRV DATA SEQUENCE DILLGPLGFL LKQFHAAIFP NGKPPGSNQP NPQWFWTALQ RNQLPARLLS DATA SEQUENCE REDIETIAFI KKFSLDYGAI NFINLAPNNV SELAMYYMAN QILRYCDHST DATA SEQUENCE YFINTLTAII AGSRRPPSVQ AAAAWSAQGG AGLEAGARAL MDAVDAHPGA DATA SEQUENCE WTSMFASCNL LRPVMAARPM VVLGLSISKY XXXXXXXXVF QAGNWASLMG DATA SEQUENCE GKNACPLLIF DRTRKFVLAC PRAGFVCAAS XXXXXXXXXS LCEQLRGIIS DATA SEQUENCE EGGAAVASSV FVATVKSLGP RTQQLQIEDW LALLEDEYLS EEMMELTARA DATA SEQUENCE LERGNGEWST DAALEVAHEA EA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.710 174.700 0.016 0.000 1.109 9 T CA 0.000 62.103 62.100 0.004 0.000 1.349 9 T CB 0.000 68.872 68.868 0.007 0.000 0.612 10 T N 0.991 115.558 114.554 0.021 0.000 2.908 10 T HA 0.821 4.985 4.350 -0.310 0.000 0.290 10 T C -1.794 172.925 174.700 0.033 0.000 1.034 10 T CA -0.607 61.509 62.100 0.027 0.000 1.010 10 T CB 1.600 70.483 68.868 0.025 0.000 1.068 10 T HN 0.557 nan 8.240 nan 0.000 0.481 11 I N 2.931 123.524 120.570 0.037 0.000 2.586 11 I HA 0.419 4.403 4.170 -0.310 0.000 0.288 11 I C -1.060 175.082 176.117 0.041 0.000 1.147 11 I CA -0.847 60.477 61.300 0.041 0.000 1.047 11 I CB 1.412 39.440 38.000 0.047 0.000 1.244 11 I HN 0.356 nan 8.210 nan 0.000 0.429 12 K N 6.461 126.885 120.400 0.040 0.000 2.276 12 K HA 0.477 4.611 4.320 -0.310 0.000 0.283 12 K C -0.984 175.643 176.600 0.045 0.000 1.044 12 K CA -0.422 55.889 56.287 0.039 0.000 0.944 12 K CB 2.150 34.670 32.500 0.034 0.000 1.012 12 K HN 0.386 nan 8.250 nan 0.000 0.472 13 V N 5.234 125.176 119.914 0.046 0.000 2.569 13 V HA 0.302 4.236 4.120 -0.310 0.000 0.301 13 V C -2.437 173.688 176.094 0.051 0.000 1.044 13 V CA -2.318 60.014 62.300 0.053 0.000 0.874 13 V CB 2.352 34.211 31.823 0.060 0.000 1.002 13 V HN 0.584 nan 8.190 nan 0.000 0.424 14 P HA 0.276 nan 4.420 nan 0.000 0.268 14 P C -2.869 174.465 177.300 0.056 0.000 1.204 14 P CA -1.353 61.777 63.100 0.049 0.000 0.768 14 P CB 0.458 32.184 31.700 0.043 0.000 0.842 15 P HA 0.332 nan 4.420 nan 0.000 0.275 15 P C 0.231 177.572 177.300 0.070 0.000 1.227 15 P CA 0.457 63.591 63.100 0.056 0.000 0.781 15 P CB 0.554 32.286 31.700 0.054 0.000 0.906 16 G N 2.436 111.271 108.800 0.059 0.000 2.645 16 G HA2 0.577 4.351 3.960 -0.310 0.000 0.292 16 G HA3 0.577 4.351 3.960 -0.310 0.000 0.292 16 G C -3.189 171.683 174.900 -0.047 0.000 1.415 16 G CA -1.241 43.891 45.100 0.054 0.000 0.785 16 G HN 0.203 nan 8.290 nan 0.000 0.483 17 P HA 0.233 nan 4.420 nan 0.000 0.279 17 P C 0.785 177.771 177.300 -0.524 0.000 1.282 17 P CA -0.422 62.197 63.100 -0.802 0.000 0.788 17 P CB 0.979 31.866 31.700 -1.354 0.000 1.139 18 L N -3.511 117.355 121.223 -0.595 0.000 2.558 18 L HA 0.516 4.670 4.340 -0.310 0.000 0.225 18 L C 0.840 177.529 176.870 -0.301 0.000 1.128 18 L CA 0.620 55.191 54.840 -0.449 0.000 0.868 18 L CB -1.053 40.667 42.059 -0.565 0.000 1.006 18 L HN 0.583 nan 8.230 nan 0.000 0.454 19 G N -2.038 106.575 108.800 -0.313 0.000 2.320 19 G HA2 0.450 4.224 3.960 -0.310 0.000 0.296 19 G HA3 0.450 4.224 3.960 -0.310 0.000 0.296 19 G C -2.119 172.677 174.900 -0.173 0.000 1.306 19 G CA -0.664 44.441 45.100 0.008 0.000 0.836 19 G HN -0.030 nan 8.290 nan 0.000 0.517 20 Y N -1.675 118.805 120.300 0.300 0.000 2.571 20 Y HA 0.576 4.940 4.550 -0.311 0.000 0.341 20 Y C -0.190 175.896 175.900 0.309 0.000 1.076 20 Y CA -0.890 57.368 58.100 0.264 0.000 1.029 20 Y CB 2.670 41.378 38.460 0.414 0.000 1.308 20 Y HN 0.379 nan 8.280 nan 0.000 0.461 21 V N 3.387 123.519 119.914 0.363 0.000 2.333 21 V HA 0.260 4.194 4.120 -0.310 0.000 0.274 21 V C -0.979 175.261 176.094 0.244 0.000 1.028 21 V CA -0.805 61.679 62.300 0.307 0.000 0.851 21 V CB -0.049 31.867 31.823 0.156 0.000 1.000 21 V HN 0.530 nan 8.190 nan 0.000 0.456 22 Y N 3.078 123.287 120.300 -0.151 0.000 2.304 22 Y HA 0.674 5.038 4.550 -0.310 0.000 0.328 22 Y C 0.506 176.141 175.900 -0.443 0.000 1.123 22 Y CA -0.656 57.208 58.100 -0.393 0.000 1.218 22 Y CB 1.689 39.657 38.460 -0.819 0.000 1.207 22 Y HN 0.669 nan 8.280 nan 0.000 0.495 23 A N 5.321 128.065 122.820 -0.126 0.000 2.427 23 A HA 0.897 5.031 4.320 -0.310 0.000 0.298 23 A C -0.872 176.734 177.584 0.037 0.000 1.036 23 A CA -0.909 51.099 52.037 -0.049 0.000 0.701 23 A CB 1.399 20.387 19.000 -0.020 0.000 1.250 23 A HN 0.867 nan 8.150 nan 0.000 0.412 24 R N 1.011 121.552 120.500 0.069 0.000 2.734 24 R HA 0.837 4.991 4.340 -0.310 0.000 0.271 24 R C -0.376 175.974 176.300 0.083 0.000 1.021 24 R CA -0.489 55.664 56.100 0.088 0.000 0.893 24 R CB 1.456 31.811 30.300 0.091 0.000 1.244 24 R HN 1.155 nan 8.270 nan 0.000 0.464 25 A N 0.819 123.672 122.820 0.055 0.000 2.371 25 A HA 0.299 4.433 4.320 -0.310 0.000 0.257 25 A C 0.203 177.784 177.584 -0.004 0.000 1.089 25 A CA -0.491 51.561 52.037 0.026 0.000 0.794 25 A CB 0.485 19.490 19.000 0.008 0.000 1.029 25 A HN 0.861 nan 8.150 nan 0.000 0.488 26 C N 5.729 124.989 119.300 -0.067 0.000 2.409 26 C HA 0.235 4.509 4.460 -0.310 0.000 0.399 26 C C -1.058 173.864 174.990 -0.113 0.000 1.505 26 C CA -1.304 57.617 59.018 -0.162 0.000 1.435 26 C CB -1.290 26.141 27.740 -0.515 0.000 2.462 26 C HN 0.726 nan 8.230 nan 0.000 0.619 27 P HA 0.153 nan 4.420 nan 0.000 0.271 27 P C -0.123 177.136 177.300 -0.068 0.000 1.244 27 P CA 0.200 63.268 63.100 -0.053 0.000 0.793 27 P CB 0.615 32.293 31.700 -0.036 0.000 0.984 28 S N -2.038 113.627 115.700 -0.057 0.000 2.751 28 S HA 0.370 4.654 4.470 -0.310 0.000 0.247 28 S C 0.234 174.808 174.600 -0.044 0.000 1.103 28 S CA -0.396 57.772 58.200 -0.053 0.000 1.090 28 S CB 0.188 63.357 63.200 -0.052 0.000 0.928 28 S HN 0.472 nan 8.310 nan 0.000 0.502 29 E N 0.981 121.155 120.200 -0.044 0.000 3.541 29 E HA 0.251 4.415 4.350 -0.310 0.000 0.275 29 E C 1.396 177.970 176.600 -0.043 0.000 1.217 29 E CA 0.122 56.497 56.400 -0.042 0.000 1.883 29 E CB -0.873 28.796 29.700 -0.051 0.000 1.954 29 E HN 0.302 nan 8.360 nan 0.000 0.889 30 G N 1.224 109.988 108.800 -0.060 0.000 3.135 30 G HA2 -0.069 3.705 3.960 -0.310 0.000 0.208 30 G HA3 -0.069 3.705 3.960 -0.310 0.000 0.208 30 G C 1.031 175.902 174.900 -0.050 0.000 1.212 30 G CA 0.220 45.279 45.100 -0.068 0.000 0.928 30 G HN 0.092 nan 8.290 nan 0.000 0.500 31 I N 0.942 121.492 120.570 -0.033 0.000 2.277 31 I HA -0.032 3.952 4.170 -0.310 0.000 0.243 31 I C 2.596 178.711 176.117 -0.004 0.000 1.094 31 I CA 1.328 62.616 61.300 -0.019 0.000 1.393 31 I CB -0.098 37.896 38.000 -0.010 0.000 1.078 31 I HN 0.411 nan 8.210 nan 0.000 0.417 32 E N 0.292 120.494 120.200 0.004 0.000 2.171 32 E HA -0.282 3.882 4.350 -0.310 0.000 0.197 32 E C 2.167 178.787 176.600 0.033 0.000 0.997 32 E CA 1.887 58.300 56.400 0.022 0.000 0.810 32 E CB -0.790 28.924 29.700 0.023 0.000 0.738 32 E HN 0.568 nan 8.360 nan 0.000 0.467 33 L N 0.188 121.426 121.223 0.025 0.000 2.049 33 L HA -0.016 4.138 4.340 -0.310 0.000 0.203 33 L C 2.373 179.257 176.870 0.022 0.000 1.074 33 L CA 0.823 55.691 54.840 0.046 0.000 0.749 33 L CB -0.137 41.942 42.059 0.034 0.000 0.907 33 L HN 0.240 nan 8.230 nan 0.000 0.439 34 L N -0.406 120.807 121.223 -0.018 0.000 2.043 34 L HA -0.268 3.886 4.340 -0.310 0.000 0.212 34 L C 2.635 179.482 176.870 -0.038 0.000 1.075 34 L CA 1.766 56.580 54.840 -0.044 0.000 0.752 34 L CB -0.534 41.485 42.059 -0.067 0.000 0.891 34 L HN 0.427 nan 8.230 nan 0.000 0.432 35 A N -0.071 122.736 122.820 -0.022 0.000 1.883 35 A HA -0.244 3.890 4.320 -0.310 0.000 0.217 35 A C 2.173 179.728 177.584 -0.049 0.000 1.186 35 A CA 1.710 53.732 52.037 -0.024 0.000 0.624 35 A CB -0.774 18.229 19.000 0.005 0.000 0.822 35 A HN 0.488 nan 8.150 nan 0.000 0.444 36 L N -0.803 120.408 121.223 -0.019 0.000 2.042 36 L HA -0.198 3.956 4.340 -0.310 0.000 0.210 36 L C 2.483 179.264 176.870 -0.150 0.000 1.076 36 L CA 1.250 56.061 54.840 -0.048 0.000 0.749 36 L CB -0.434 41.663 42.059 0.064 0.000 0.893 36 L HN 0.392 nan 8.230 nan 0.000 0.432 37 L N -1.492 119.701 121.223 -0.049 0.000 2.291 37 L HA -0.054 4.100 4.340 -0.310 0.000 0.214 37 L C 1.424 178.238 176.870 -0.093 0.000 1.120 37 L CA 0.064 54.889 54.840 -0.026 0.000 0.799 37 L CB -0.237 41.863 42.059 0.069 0.000 0.925 37 L HN 0.125 nan 8.230 nan 0.000 0.446 38 S N -0.735 114.897 115.700 -0.114 0.000 2.671 38 S HA 0.652 4.936 4.470 -0.310 0.000 0.272 38 S C 0.014 174.530 174.600 -0.140 0.000 1.174 38 S CA -0.495 57.636 58.200 -0.114 0.000 1.004 38 S CB 1.521 64.666 63.200 -0.092 0.000 1.077 38 S HN 0.188 nan 8.310 nan 0.000 0.553 39 A N 1.416 124.183 122.820 -0.088 0.000 2.353 39 A HA 0.754 4.888 4.320 -0.310 0.000 0.299 39 A C -0.467 177.108 177.584 -0.016 0.000 1.089 39 A CA -0.592 51.408 52.037 -0.062 0.000 0.736 39 A CB 0.816 19.797 19.000 -0.031 0.000 1.195 39 A HN 0.582 nan 8.150 nan 0.000 0.447 40 R N 2.044 122.543 120.500 -0.002 0.000 2.522 40 R HA 0.386 4.540 4.340 -0.310 0.000 0.273 40 R C -1.347 174.976 176.300 0.038 0.000 1.133 40 R CA -0.131 55.982 56.100 0.022 0.000 0.969 40 R CB 1.980 32.288 30.300 0.012 0.000 1.235 40 R HN 0.792 nan 8.270 nan 0.000 0.433 41 S N 1.608 117.336 115.700 0.048 0.000 2.513 41 S HA 0.249 4.532 4.470 -0.310 0.000 0.276 41 S C 1.374 176.003 174.600 0.048 0.000 1.254 41 S CA 0.305 58.538 58.200 0.055 0.000 1.053 41 S CB 1.175 64.412 63.200 0.062 0.000 0.958 41 S HN 0.741 nan 8.310 nan 0.000 0.491 42 G N 2.969 111.800 108.800 0.052 0.000 2.537 42 G HA2 -0.166 3.608 3.960 -0.310 0.000 0.220 42 G HA3 -0.166 3.608 3.960 -0.310 0.000 0.220 42 G C 0.642 175.565 174.900 0.037 0.000 1.111 42 G CA 0.920 46.046 45.100 0.045 0.000 0.748 42 G HN 0.892 nan 8.290 nan 0.000 0.564 43 D N -0.970 119.455 120.400 0.041 0.000 2.643 43 D HA 0.267 4.721 4.640 -0.310 0.000 0.244 43 D C 0.040 176.363 176.300 0.037 0.000 1.257 43 D CA -0.422 53.601 54.000 0.038 0.000 0.831 43 D CB 0.183 41.010 40.800 0.044 0.000 1.043 43 D HN 0.018 nan 8.370 nan 0.000 0.488 44 S N -0.423 115.296 115.700 0.031 0.000 2.533 44 S HA 0.226 4.510 4.470 -0.310 0.000 0.271 44 S C -0.667 173.940 174.600 0.012 0.000 1.143 44 S CA -0.624 57.596 58.200 0.033 0.000 0.891 44 S CB 1.727 64.959 63.200 0.054 0.000 1.105 44 S HN -0.049 nan 8.310 nan 0.000 0.468 45 D N 2.324 122.725 120.400 0.003 0.000 2.349 45 D HA 0.103 4.557 4.640 -0.310 0.000 0.224 45 D C 0.739 177.031 176.300 -0.013 0.000 1.029 45 D CA 0.612 54.585 54.000 -0.044 0.000 0.879 45 D CB 0.091 40.843 40.800 -0.079 0.000 0.906 45 D HN 0.447 nan 8.370 nan 0.000 0.528 46 V N -2.926 117.017 119.914 0.048 0.000 2.975 46 V HA 0.962 4.896 4.120 -0.310 0.000 0.318 46 V C -0.060 176.084 176.094 0.083 0.000 1.077 46 V CA -0.714 61.645 62.300 0.098 0.000 1.000 46 V CB 1.388 33.304 31.823 0.154 0.000 1.066 46 V HN 0.055 nan 8.190 nan 0.000 0.452 47 A N 1.192 124.078 122.820 0.109 0.000 2.601 47 A HA 0.789 4.923 4.320 -0.310 0.000 0.291 47 A C -1.198 176.441 177.584 0.091 0.000 1.075 47 A CA -0.046 52.035 52.037 0.074 0.000 0.671 47 A CB 1.726 20.742 19.000 0.027 0.000 1.277 47 A HN 2.170 nan 8.150 nan 0.000 0.417 48 V N 0.655 120.595 119.914 0.044 0.000 2.444 48 V HA 0.827 4.761 4.120 -0.310 0.000 0.294 48 V C -0.051 175.977 176.094 -0.110 0.000 1.022 48 V CA 0.306 62.597 62.300 -0.015 0.000 0.850 48 V CB 1.013 32.876 31.823 0.067 0.000 0.992 48 V HN 2.122 nan 8.190 nan 0.000 0.426 49 A N 8.726 131.423 122.820 -0.205 0.000 2.355 49 A HA 1.011 5.145 4.320 -0.310 0.000 0.324 49 A C -2.916 174.526 177.584 -0.237 0.000 1.117 49 A CA -1.995 49.916 52.037 -0.210 0.000 0.785 49 A CB 1.937 20.783 19.000 -0.256 0.000 1.254 49 A HN 0.700 nan 8.150 nan 0.000 0.453 50 P HA 0.173 nan 4.420 nan 0.000 0.272 50 P C -0.553 176.658 177.300 -0.149 0.000 1.223 50 P CA -0.208 62.826 63.100 -0.110 0.000 0.784 50 P CB 0.732 32.423 31.700 -0.015 0.000 0.923 51 L N 3.924 125.080 121.223 -0.112 0.000 2.385 51 L HA 0.233 4.387 4.340 -0.310 0.000 0.281 51 L C -0.761 176.027 176.870 -0.136 0.000 1.106 51 L CA 0.156 54.895 54.840 -0.169 0.000 0.856 51 L CB -0.088 41.918 42.059 -0.089 0.000 1.186 51 L HN 0.075 nan 8.230 nan 0.000 0.453 52 V N 5.876 125.672 119.914 -0.197 0.000 2.567 52 V HA 0.260 4.194 4.120 -0.310 0.000 0.298 52 V C -0.308 175.666 176.094 -0.201 0.000 1.047 52 V CA -0.861 61.355 62.300 -0.139 0.000 0.880 52 V CB 2.011 33.772 31.823 -0.103 0.000 1.009 52 V HN 0.411 nan 8.190 nan 0.000 0.429 53 V N 4.823 124.638 119.914 -0.165 0.000 2.493 53 V HA 0.430 4.364 4.120 -0.310 0.000 0.292 53 V C 1.464 177.468 176.094 -0.150 0.000 1.016 53 V CA 1.771 63.981 62.300 -0.150 0.000 1.097 53 V CB 0.367 32.143 31.823 -0.079 0.000 0.947 53 V HN 1.355 nan 8.190 nan 0.000 0.479 54 G N 3.707 112.423 108.800 -0.139 0.000 2.176 54 G HA2 -0.218 3.556 3.960 -0.310 0.000 0.232 54 G HA3 -0.218 3.556 3.960 -0.310 0.000 0.232 54 G C 0.212 175.013 174.900 -0.165 0.000 0.986 54 G CA 0.414 45.429 45.100 -0.142 0.000 0.643 54 G HN 0.640 nan 8.290 nan 0.000 0.522 55 L N -0.275 120.841 121.223 -0.178 0.000 2.666 55 L HA 0.413 4.567 4.340 -0.310 0.000 0.184 55 L C 2.494 179.267 176.870 -0.161 0.000 1.092 55 L CA 2.685 57.417 54.840 -0.179 0.000 0.857 55 L CB 0.137 42.068 42.059 -0.213 0.000 1.281 55 L HN 0.427 nan 8.230 nan 0.000 0.489 56 T N -2.789 111.637 114.554 -0.215 0.000 3.010 56 T HA 0.427 4.591 4.350 -0.310 0.000 0.257 56 T C 0.079 174.641 174.700 -0.230 0.000 1.020 56 T CA 0.492 62.437 62.100 -0.259 0.000 0.938 56 T CB -0.045 68.554 68.868 -0.448 0.000 1.049 56 T HN 0.097 nan 8.240 nan 0.000 0.522 57 V N -0.991 118.767 119.914 -0.262 0.000 3.114 57 V HA 0.746 4.679 4.120 -0.310 0.000 0.308 57 V C -0.483 175.565 176.094 -0.076 0.000 1.168 57 V CA -1.444 60.690 62.300 -0.277 0.000 1.015 57 V CB 2.206 33.492 31.823 -0.896 0.000 1.050 57 V HN 0.368 nan 8.190 nan 0.000 0.433 58 E N 1.439 121.688 120.200 0.081 0.000 2.410 58 E HA 0.216 4.380 4.350 -0.310 0.000 0.255 58 E C 0.712 177.349 176.600 0.061 0.000 1.194 58 E CA 0.377 56.817 56.400 0.066 0.000 0.955 58 E CB 1.067 30.814 29.700 0.079 0.000 0.988 58 E HN 0.634 nan 8.360 nan 0.000 0.461 59 S N 0.940 116.657 115.700 0.028 0.000 2.382 59 S HA -0.055 4.229 4.470 -0.310 0.000 0.228 59 S C 1.545 176.177 174.600 0.053 0.000 1.027 59 S CA 1.201 59.416 58.200 0.025 0.000 0.991 59 S CB -0.412 62.788 63.200 -0.000 0.000 0.823 59 S HN 0.767 nan 8.310 nan 0.000 0.469 60 G N 0.149 108.979 108.800 0.051 0.000 3.026 60 G HA2 0.090 3.864 3.960 -0.310 0.000 0.208 60 G HA3 0.090 3.864 3.960 -0.310 0.000 0.208 60 G C 0.186 175.116 174.900 0.050 0.000 1.169 60 G CA -0.556 44.567 45.100 0.038 0.000 0.788 60 G HN 0.387 nan 8.290 nan 0.000 0.533 61 F N 1.536 121.449 119.950 -0.061 0.000 2.604 61 F HA 0.100 4.441 4.527 -0.310 0.000 0.393 61 F C 0.729 176.489 175.800 -0.067 0.000 1.043 61 F CA 0.005 57.951 58.000 -0.090 0.000 1.227 61 F CB 0.561 39.484 39.000 -0.129 0.000 1.016 61 F HN 0.111 nan 8.300 nan 0.000 0.556 62 E N 5.060 124.970 120.200 -0.483 0.000 2.092 62 E HA 0.448 4.612 4.350 -0.310 0.000 0.271 62 E C 0.406 176.857 176.600 -0.248 0.000 0.919 62 E CA -0.177 56.085 56.400 -0.230 0.000 0.760 62 E CB 1.296 30.916 29.700 -0.133 0.000 1.106 62 E HN 0.831 nan 8.360 nan 0.000 0.408 63 A N 4.942 127.799 122.820 0.062 0.000 1.902 63 A HA -0.100 4.034 4.320 -0.310 0.000 0.217 63 A C 0.805 178.642 177.584 0.423 0.000 1.181 63 A CA 0.827 53.068 52.037 0.339 0.000 0.623 63 A CB -0.130 19.038 19.000 0.280 0.000 0.818 63 A HN 0.606 nan 8.150 nan 0.000 0.443 64 N N -0.285 118.586 118.700 0.285 0.000 2.488 64 N HA 0.409 4.963 4.740 -0.310 0.000 0.274 64 N C -0.910 174.709 175.510 0.183 0.000 1.111 64 N CA 0.291 53.495 53.050 0.255 0.000 0.974 64 N CB 1.844 40.445 38.487 0.191 0.000 1.089 64 N HN 0.186 nan 8.380 nan 0.000 0.465 65 V N 0.256 120.273 119.914 0.172 0.000 3.147 65 V HA 0.630 4.563 4.120 -0.310 0.000 0.299 65 V C -1.428 174.716 176.094 0.084 0.000 1.302 65 V CA -0.845 61.529 62.300 0.123 0.000 1.015 65 V CB 2.107 34.027 31.823 0.161 0.000 1.086 65 V HN 0.704 nan 8.190 nan 0.000 0.437 66 A N 4.671 127.528 122.820 0.062 0.000 2.341 66 A HA 0.678 4.812 4.320 -0.310 0.000 0.326 66 A C -0.171 177.424 177.584 0.018 0.000 1.402 66 A CA 0.096 52.159 52.037 0.045 0.000 0.957 66 A CB 0.488 19.515 19.000 0.045 0.000 1.151 66 A HN 1.890 nan 8.150 nan 0.000 0.533 67 V N 2.108 122.012 119.914 -0.017 0.000 2.775 67 V HA 0.468 4.402 4.120 -0.310 0.000 0.299 67 V C 0.248 176.290 176.094 -0.086 0.000 1.062 67 V CA -0.408 61.831 62.300 -0.102 0.000 1.063 67 V CB 1.175 32.835 31.823 -0.271 0.000 0.994 67 V HN 0.469 nan 8.190 nan 0.000 0.483 68 V N 6.204 126.089 119.914 -0.048 0.000 2.397 68 V HA 0.114 4.048 4.120 -0.310 0.000 0.262 68 V C 1.198 177.265 176.094 -0.045 0.000 1.047 68 V CA 0.604 62.894 62.300 -0.017 0.000 1.003 68 V CB 0.691 32.535 31.823 0.035 0.000 1.037 68 V HN 1.031 nan 8.190 nan 0.000 0.480 69 V N 2.489 122.389 119.914 -0.023 0.000 3.431 69 V HA 0.699 4.633 4.120 -0.310 0.000 0.253 69 V C 0.829 177.027 176.094 0.173 0.000 1.184 69 V CA 1.082 63.417 62.300 0.058 0.000 1.104 69 V CB -0.032 31.873 31.823 0.137 0.000 0.799 69 V HN 0.856 nan 8.190 nan 0.000 0.462 70 G N 0.091 108.947 108.800 0.094 0.000 2.494 70 G HA2 0.591 4.365 3.960 -0.310 0.000 0.308 70 G HA3 0.591 4.365 3.960 -0.310 0.000 0.308 70 G C -1.149 173.759 174.900 0.014 0.000 1.263 70 G CA 0.086 45.245 45.100 0.097 0.000 0.840 70 G HN 1.001 nan 8.290 nan 0.000 0.479 71 S N -1.311 114.412 115.700 0.038 0.000 2.588 71 S HA 0.876 5.160 4.470 -0.310 0.000 0.275 71 S C -0.755 173.878 174.600 0.055 0.000 1.130 71 S CA -0.893 57.315 58.200 0.012 0.000 0.855 71 S CB 2.648 65.849 63.200 0.001 0.000 1.116 71 S HN 0.856 nan 8.310 nan 0.000 0.472 72 R N 0.064 120.597 120.500 0.054 0.000 2.930 72 R HA 0.805 4.959 4.340 -0.310 0.000 0.257 72 R C -0.382 175.958 176.300 0.067 0.000 1.107 72 R CA -0.912 55.224 56.100 0.059 0.000 0.999 72 R CB 1.534 31.865 30.300 0.052 0.000 1.209 72 R HN 0.865 nan 8.270 nan 0.000 0.486 73 T N -1.762 112.824 114.554 0.054 0.000 2.936 73 T HA 0.638 4.802 4.350 -0.310 0.000 0.282 73 T C -0.080 174.648 174.700 0.048 0.000 1.003 73 T CA -0.520 61.611 62.100 0.053 0.000 1.005 73 T CB 1.652 70.540 68.868 0.033 0.000 1.097 73 T HN 0.645 nan 8.240 nan 0.000 0.532 81 V N 1.328 121.320 119.914 0.131 0.000 2.817 81 V HA 0.663 4.597 4.120 -0.310 0.000 0.303 81 V C 0.123 176.330 176.094 0.188 0.000 1.151 81 V CA -0.032 62.368 62.300 0.166 0.000 0.929 81 V CB 2.259 34.225 31.823 0.239 0.000 1.030 81 V HN 1.090 nan 8.190 nan 0.000 0.427 82 S N 5.332 121.108 115.700 0.126 0.000 2.681 82 S HA 0.856 5.140 4.470 -0.310 0.000 0.299 82 S C -0.568 174.050 174.600 0.029 0.000 1.113 82 S CA -0.796 57.473 58.200 0.114 0.000 1.013 82 S CB 1.632 64.880 63.200 0.080 0.000 1.076 82 S HN 0.531 nan 8.310 nan 0.000 0.534 83 L N 1.076 122.283 121.223 -0.026 0.000 2.399 83 L HA 0.565 4.719 4.340 -0.310 0.000 0.265 83 L C 0.308 177.156 176.870 -0.035 0.000 1.089 83 L CA -0.769 53.999 54.840 -0.121 0.000 0.802 83 L CB 1.023 42.944 42.059 -0.230 0.000 1.180 83 L HN 0.728 nan 8.230 nan 0.000 0.454 84 K N 1.854 122.237 120.400 -0.027 0.000 2.292 84 K HA 0.664 4.798 4.320 -0.310 0.000 0.257 84 K C -1.684 174.926 176.600 0.017 0.000 0.940 84 K CA -0.610 55.688 56.287 0.020 0.000 0.811 84 K CB 1.358 33.890 32.500 0.054 0.000 1.120 84 K HN 0.321 nan 8.250 nan 0.000 0.428 85 L N 1.909 123.150 121.223 0.029 0.000 2.370 85 L HA 0.507 4.661 4.340 -0.310 0.000 0.266 85 L C -0.274 176.626 176.870 0.050 0.000 1.002 85 L CA -0.558 54.299 54.840 0.028 0.000 0.818 85 L CB 2.170 44.243 42.059 0.023 0.000 1.325 85 L HN 0.651 nan 8.230 nan 0.000 0.418 86 T N 2.784 117.373 114.554 0.058 0.000 2.916 86 T HA 0.648 4.812 4.350 -0.310 0.000 0.298 86 T C -2.879 171.867 174.700 0.078 0.000 1.031 86 T CA -1.728 60.421 62.100 0.082 0.000 0.993 86 T CB 1.888 70.838 68.868 0.136 0.000 1.045 86 T HN 0.315 nan 8.240 nan 0.000 0.454 87 P HA 0.478 nan 4.420 nan 0.000 0.274 87 P C -0.850 176.491 177.300 0.068 0.000 1.231 87 P CA -0.258 62.879 63.100 0.061 0.000 0.790 87 P CB 1.382 33.108 31.700 0.043 0.000 0.951 88 S N 0.100 115.851 115.700 0.084 0.000 2.627 88 S HA 0.418 4.702 4.470 -0.310 0.000 0.268 88 S C -1.580 173.102 174.600 0.136 0.000 1.130 88 S CA -0.710 57.530 58.200 0.067 0.000 0.819 88 S CB 0.506 63.724 63.200 0.029 0.000 1.100 88 S HN 0.733 nan 8.310 nan 0.000 0.465 89 H N 0.264 119.383 119.070 0.081 0.000 2.834 89 H HA 0.558 4.928 4.556 -0.310 0.000 0.369 89 H C -1.531 173.908 175.328 0.185 0.000 1.174 89 H CA -0.596 55.579 56.048 0.211 0.000 1.165 89 H CB 0.057 29.996 29.762 0.296 0.000 1.820 89 H HN 0.586 nan 8.280 nan 0.000 0.558 90 Y N 0.664 121.208 120.300 0.406 0.000 2.411 90 Y HA 0.052 4.416 4.550 -0.310 0.000 0.333 90 Y C 1.500 177.607 175.900 0.344 0.000 1.186 90 Y CA 0.531 58.845 58.100 0.356 0.000 1.381 90 Y CB 0.896 39.652 38.460 0.494 0.000 1.273 90 Y HN 0.666 nan 8.280 nan 0.000 0.546 91 S N 1.342 117.221 115.700 0.299 0.000 2.563 91 S HA -0.083 4.201 4.470 -0.310 0.000 0.284 91 S C 1.400 176.176 174.600 0.294 0.000 1.331 91 S CA -0.043 58.300 58.200 0.237 0.000 1.047 91 S CB 0.507 63.848 63.200 0.234 0.000 0.859 91 S HN 0.792 nan 8.310 nan 0.000 0.514 92 S N 2.172 118.014 115.700 0.237 0.000 2.595 92 S HA 0.093 4.377 4.470 -0.310 0.000 0.235 92 S C 0.282 174.926 174.600 0.074 0.000 0.974 92 S CA 0.536 58.873 58.200 0.229 0.000 0.942 92 S CB -0.779 62.518 63.200 0.161 0.000 0.766 92 S HN 0.900 nan 8.310 nan 0.000 0.536 93 S N -0.309 115.380 115.700 -0.019 0.000 2.537 93 S HA 0.632 4.916 4.470 -0.310 0.000 0.270 93 S C -0.687 173.623 174.600 -0.483 0.000 1.142 93 S CA -0.593 57.472 58.200 -0.225 0.000 0.870 93 S CB 1.488 64.544 63.200 -0.240 0.000 1.112 93 S HN 0.410 nan 8.310 nan 0.000 0.466 94 V N 0.071 119.674 119.914 -0.518 0.000 2.966 94 V HA 0.763 4.696 4.120 -0.310 0.000 0.317 94 V C -1.528 174.158 176.094 -0.680 0.000 1.070 94 V CA -0.931 61.085 62.300 -0.472 0.000 1.008 94 V CB 0.608 32.278 31.823 -0.255 0.000 1.070 94 V HN 0.894 nan 8.190 nan 0.000 0.457 95 Y N 1.312 121.730 120.300 0.198 0.000 2.464 95 Y HA 0.574 4.939 4.550 -0.308 0.000 0.326 95 Y C 0.146 176.272 175.900 0.376 0.000 0.969 95 Y CA -0.911 57.323 58.100 0.224 0.000 1.270 95 Y CB 1.528 40.105 38.460 0.195 0.000 1.103 95 Y HN 0.474 nan 8.280 nan 0.000 0.491 96 V N 5.798 125.927 119.914 0.357 0.000 2.381 96 V HA -0.084 3.850 4.120 -0.310 0.000 0.257 96 V C 0.538 176.855 176.094 0.371 0.000 1.057 96 V CA 0.111 62.621 62.300 0.351 0.000 1.013 96 V CB -0.955 30.962 31.823 0.157 0.000 1.069 96 V HN 0.750 nan 8.190 nan 0.000 0.484 97 F N 2.310 122.416 119.950 0.260 0.000 2.727 97 F HA 0.489 4.829 4.527 -0.311 0.000 0.302 97 F C 0.437 176.385 175.800 0.247 0.000 1.097 97 F CA -0.614 57.514 58.000 0.214 0.000 1.330 97 F CB -0.333 38.787 39.000 0.199 0.000 1.084 97 F HN 0.507 nan 8.300 nan 0.000 0.578 98 H N -0.401 118.507 119.070 -0.270 0.000 3.179 98 H HA 0.496 4.865 4.556 -0.311 0.000 0.331 98 H C 0.330 175.584 175.328 -0.123 0.000 1.013 98 H CA -0.589 55.321 56.048 -0.230 0.000 1.430 98 H CB 1.273 30.794 29.762 -0.401 0.000 1.895 98 H HN 0.244 nan 8.280 nan 0.000 0.468 99 G N 2.394 110.955 108.800 -0.400 0.000 2.205 99 G HA2 -0.212 3.562 3.960 -0.310 0.000 0.180 99 G HA3 -0.212 3.562 3.960 -0.310 0.000 0.180 99 G C 1.404 176.175 174.900 -0.215 0.000 1.004 99 G CA 0.033 44.967 45.100 -0.277 0.000 0.670 99 G HN 1.052 nan 8.290 nan 0.000 0.496 100 G N 1.446 110.157 108.800 -0.149 0.000 2.485 100 G HA2 -0.165 3.609 3.960 -0.310 0.000 0.221 100 G HA3 -0.165 3.609 3.960 -0.310 0.000 0.221 100 G C 1.772 176.597 174.900 -0.125 0.000 1.115 100 G CA 1.654 46.706 45.100 -0.080 0.000 0.751 100 G HN 0.873 nan 8.290 nan 0.000 0.567 101 R N 0.292 120.639 120.500 -0.255 0.000 2.200 101 R HA -0.115 4.038 4.340 -0.310 0.000 0.234 101 R C 1.417 177.597 176.300 -0.199 0.000 1.127 101 R CA 1.451 57.402 56.100 -0.249 0.000 0.989 101 R CB -0.901 29.195 30.300 -0.341 0.000 0.869 101 R HN 0.396 nan 8.270 nan 0.000 0.459 102 H N 0.593 119.647 119.070 -0.027 0.000 2.547 102 H HA 0.283 4.653 4.556 -0.309 0.000 0.266 102 H C 0.388 175.710 175.328 -0.009 0.000 0.988 102 H CA 0.163 56.202 56.048 -0.016 0.000 1.147 102 H CB 0.079 29.831 29.762 -0.017 0.000 1.365 102 H HN 0.098 nan 8.280 nan 0.000 0.589 103 L N 2.084 123.346 121.223 0.065 0.000 2.307 103 L HA 0.185 4.339 4.340 -0.310 0.000 0.284 103 L C -0.275 176.614 176.870 0.032 0.000 1.023 103 L CA -1.058 53.805 54.840 0.040 0.000 0.810 103 L CB 1.502 43.569 42.059 0.014 0.000 1.231 103 L HN -0.076 nan 8.230 nan 0.000 0.423 104 D N 4.093 124.516 120.400 0.038 0.000 2.425 104 D HA 0.158 4.612 4.640 -0.310 0.000 0.247 104 D C -2.249 174.080 176.300 0.047 0.000 1.147 104 D CA -1.115 52.914 54.000 0.047 0.000 0.879 104 D CB 0.122 40.954 40.800 0.054 0.000 1.179 104 D HN 0.178 nan 8.370 nan 0.000 0.456 105 P HA 0.000 nan 4.420 nan 0.000 0.264 105 P C 0.493 177.847 177.300 0.089 0.000 1.183 105 P CA 0.095 63.232 63.100 0.062 0.000 0.763 105 P CB 0.603 32.344 31.700 0.067 0.000 0.807 106 S N 0.181 115.932 115.700 0.086 0.000 2.442 106 S HA -0.038 4.246 4.470 -0.310 0.000 0.236 106 S C 0.675 175.414 174.600 0.232 0.000 1.007 106 S CA 1.269 59.556 58.200 0.145 0.000 0.965 106 S CB -0.342 62.895 63.200 0.061 0.000 0.773 106 S HN 0.589 nan 8.310 nan 0.000 0.504 107 T N -0.131 114.521 114.554 0.164 0.000 2.889 107 T HA 0.278 4.442 4.350 -0.310 0.000 0.315 107 T C 0.060 174.832 174.700 0.120 0.000 1.291 107 T CA -0.708 61.492 62.100 0.166 0.000 1.028 107 T CB 1.947 70.904 68.868 0.148 0.000 1.235 107 T HN -0.097 nan 8.240 nan 0.000 0.491 108 Q N 0.547 120.412 119.800 0.108 0.000 2.432 108 Q HA 0.306 4.460 4.340 -0.310 0.000 0.205 108 Q C 1.032 177.041 176.000 0.015 0.000 0.945 108 Q CA 0.006 55.844 55.803 0.058 0.000 0.924 108 Q CB 0.121 28.879 28.738 0.033 0.000 1.016 108 Q HN 0.837 nan 8.270 nan 0.000 0.503 109 A N 3.545 126.378 122.820 0.023 0.000 2.600 109 A HA -0.025 4.109 4.320 -0.310 0.000 0.244 109 A C -2.103 175.505 177.584 0.041 0.000 1.016 109 A CA -0.428 51.625 52.037 0.026 0.000 0.778 109 A CB -0.287 18.747 19.000 0.057 0.000 0.920 109 A HN 0.109 nan 8.150 nan 0.000 0.513 110 P HA 0.248 nan 4.420 nan 0.000 0.287 110 P C -0.571 176.762 177.300 0.056 0.000 1.270 110 P CA -0.678 62.451 63.100 0.049 0.000 0.844 110 P CB 0.790 32.518 31.700 0.047 0.000 1.068 111 N N 0.846 119.578 118.700 0.052 0.000 2.714 111 N HA -0.146 4.408 4.740 -0.310 0.000 0.253 111 N C 0.868 176.413 175.510 0.059 0.000 1.024 111 N CA 0.345 53.426 53.050 0.052 0.000 0.726 111 N CB -1.215 37.299 38.487 0.046 0.000 0.908 111 N HN 0.501 nan 8.380 nan 0.000 0.542 112 L N -0.520 120.741 121.223 0.064 0.000 2.240 112 L HA -0.082 4.072 4.340 -0.310 0.000 0.211 112 L C 2.205 179.123 176.870 0.079 0.000 1.106 112 L CA 1.210 56.093 54.840 0.073 0.000 0.793 112 L CB -0.292 41.812 42.059 0.074 0.000 0.927 112 L HN 0.224 nan 8.230 nan 0.000 0.446 113 T N -0.704 113.893 114.554 0.073 0.000 2.746 113 T HA -0.213 3.951 4.350 -0.310 0.000 0.267 113 T C 2.010 176.752 174.700 0.071 0.000 1.039 113 T CA 1.235 63.381 62.100 0.077 0.000 1.142 113 T CB -0.161 68.748 68.868 0.069 0.000 0.866 113 T HN 0.275 nan 8.240 nan 0.000 0.444 114 R N 0.479 121.014 120.500 0.058 0.000 2.066 114 R HA -0.034 4.120 4.340 -0.310 0.000 0.232 114 R C 2.444 178.775 176.300 0.052 0.000 1.131 114 R CA 1.092 57.220 56.100 0.047 0.000 0.955 114 R CB -0.498 29.824 30.300 0.036 0.000 0.851 114 R HN 0.301 nan 8.270 nan 0.000 0.432 115 L N 0.856 122.116 121.223 0.062 0.000 2.012 115 L HA -0.222 3.932 4.340 -0.310 0.000 0.210 115 L C 2.155 179.088 176.870 0.105 0.000 1.073 115 L CA 1.834 56.717 54.840 0.071 0.000 0.748 115 L CB -0.788 41.318 42.059 0.077 0.000 0.891 115 L HN 0.294 nan 8.230 nan 0.000 0.431 116 C N -0.307 119.071 119.300 0.131 0.000 2.429 116 C HA -0.133 4.141 4.460 -0.310 0.000 0.277 116 C C 2.704 177.779 174.990 0.141 0.000 1.262 116 C CA 0.873 60.012 59.018 0.202 0.000 1.733 116 C CB -0.993 26.869 27.740 0.202 0.000 2.010 116 C HN 0.653 nan 8.230 nan 0.000 0.483 117 E N 1.627 121.878 120.200 0.085 0.000 2.049 117 E HA -0.262 3.902 4.350 -0.310 0.000 0.198 117 E C 2.295 178.899 176.600 0.006 0.000 1.007 117 E CA 2.060 58.483 56.400 0.039 0.000 0.809 117 E CB -0.275 29.447 29.700 0.036 0.000 0.749 117 E HN 0.793 nan 8.360 nan 0.000 0.450 118 R N 0.182 120.689 120.500 0.011 0.000 2.148 118 R HA 0.114 4.268 4.340 -0.310 0.000 0.223 118 R C 2.263 178.550 176.300 -0.021 0.000 1.088 118 R CA 1.365 57.452 56.100 -0.021 0.000 0.985 118 R CB -0.585 29.694 30.300 -0.034 0.000 0.880 118 R HN 0.097 nan 8.270 nan 0.000 0.451 119 A N 1.435 124.285 122.820 0.049 0.000 1.930 119 A HA -0.059 4.075 4.320 -0.310 0.000 0.217 119 A C 2.285 179.913 177.584 0.073 0.000 1.175 119 A CA 1.195 53.313 52.037 0.135 0.000 0.627 119 A CB -0.543 18.689 19.000 0.387 0.000 0.815 119 A HN 0.383 nan 8.150 nan 0.000 0.443 120 R N -0.396 120.006 120.500 -0.164 0.000 2.096 120 R HA -0.099 4.055 4.340 -0.310 0.000 0.235 120 R C 2.299 178.497 176.300 -0.170 0.000 1.127 120 R CA 1.452 57.202 56.100 -0.583 0.000 0.968 120 R CB -0.204 29.792 30.300 -0.507 0.000 0.861 120 R HN 0.488 nan 8.270 nan 0.000 0.440 121 R N -1.379 119.068 120.500 -0.088 0.000 2.115 121 R HA -0.114 4.040 4.340 -0.310 0.000 0.226 121 R C 2.222 178.500 176.300 -0.036 0.000 1.100 121 R CA 1.206 57.276 56.100 -0.051 0.000 0.980 121 R CB -0.401 29.865 30.300 -0.057 0.000 0.875 121 R HN 0.515 nan 8.270 nan 0.000 0.445 122 H N -0.515 118.414 119.070 -0.234 0.000 2.357 122 H HA -0.096 4.263 4.556 -0.329 0.000 0.301 122 H C 0.848 175.969 175.328 -0.345 0.000 1.082 122 H CA 1.206 57.023 56.048 -0.384 0.000 1.342 122 H CB 0.212 29.582 29.762 -0.654 0.000 1.389 122 H HN 0.097 nan 8.280 nan 0.000 0.511 123 F N -0.454 119.565 119.950 0.115 0.000 2.765 123 F HA 0.245 4.553 4.527 -0.367 0.000 0.302 123 F C 1.852 177.790 175.800 0.230 0.000 1.111 123 F CA 0.719 58.837 58.000 0.198 0.000 1.359 123 F CB 0.570 39.847 39.000 0.462 0.000 1.097 123 F HN 0.360 nan 8.300 nan 0.000 0.577 124 G N -0.333 108.614 108.800 0.246 0.000 2.157 124 G HA2 -0.285 3.488 3.960 -0.310 0.000 0.248 124 G HA3 -0.285 3.488 3.960 -0.310 0.000 0.248 124 G C 0.155 175.061 174.900 0.010 0.000 0.979 124 G CA -0.524 44.668 45.100 0.154 0.000 0.650 124 G HN 0.166 nan 8.290 nan 0.000 0.529 125 F N 2.242 122.203 119.950 0.017 0.000 2.382 125 F HA 0.590 4.862 4.527 -0.425 0.000 0.331 125 F C 1.400 177.177 175.800 -0.038 0.000 1.121 125 F CA -0.043 57.947 58.000 -0.017 0.000 1.183 125 F CB 1.234 40.167 39.000 -0.112 0.000 1.207 125 F HN 0.253 nan 8.300 nan 0.000 0.555 126 S N 0.370 116.189 115.700 0.198 0.000 2.632 126 S HA 0.337 4.620 4.470 -0.310 0.000 0.267 126 S C -0.738 173.962 174.600 0.168 0.000 1.276 126 S CA -0.940 57.348 58.200 0.147 0.000 0.998 126 S CB 1.338 64.630 63.200 0.153 0.000 0.953 126 S HN 0.580 nan 8.310 nan 0.000 0.547 127 D N -0.558 119.918 120.400 0.127 0.000 2.340 127 D HA 0.276 4.730 4.640 -0.310 0.000 0.243 127 D C -1.110 175.274 176.300 0.140 0.000 0.988 127 D CA -0.510 53.572 54.000 0.135 0.000 0.959 127 D CB 1.191 42.030 40.800 0.066 0.000 1.226 127 D HN 0.619 nan 8.370 nan 0.000 0.509 128 Y N 0.920 121.208 120.300 -0.020 0.000 2.544 128 Y HA 0.161 4.514 4.550 -0.328 0.000 0.330 128 Y C -0.328 175.464 175.900 -0.180 0.000 1.136 128 Y CA 0.225 58.159 58.100 -0.276 0.000 1.417 128 Y CB 0.296 38.521 38.460 -0.391 0.000 1.229 128 Y HN -0.014 nan 8.280 nan 0.000 0.532 129 T N 9.172 123.270 114.554 -0.760 0.000 3.141 129 T HA 0.239 4.403 4.350 -0.310 0.000 0.377 129 T C -2.729 171.560 174.700 -0.686 0.000 1.258 129 T CA -1.134 60.614 62.100 -0.586 0.000 1.263 129 T CB 0.523 69.238 68.868 -0.255 0.000 1.066 129 T HN 0.489 nan 8.240 nan 0.000 0.546 130 P HA 0.206 nan 4.420 nan 0.000 0.268 130 P C -0.284 176.865 177.300 -0.252 0.000 1.204 130 P CA -0.499 62.323 63.100 -0.463 0.000 0.768 130 P CB 0.959 32.558 31.700 -0.168 0.000 0.842 131 R N 4.110 124.479 120.500 -0.220 0.000 2.489 131 R HA 0.086 4.240 4.340 -0.310 0.000 0.287 131 R C -1.467 174.758 176.300 -0.124 0.000 1.053 131 R CA -1.209 54.798 56.100 -0.154 0.000 1.036 131 R CB -0.281 29.937 30.300 -0.136 0.000 0.966 131 R HN 0.386 nan 8.270 nan 0.000 0.432 132 P HA -0.197 nan 4.420 nan 0.000 0.215 132 P C 1.118 178.366 177.300 -0.086 0.000 1.163 132 P CA 1.429 64.487 63.100 -0.069 0.000 0.894 132 P CB 0.088 31.752 31.700 -0.060 0.000 0.791 133 G N -1.389 107.351 108.800 -0.100 0.000 2.807 133 G HA2 -0.149 3.625 3.960 -0.310 0.000 0.207 133 G HA3 -0.149 3.625 3.960 -0.310 0.000 0.207 133 G C 0.748 175.529 174.900 -0.198 0.000 1.151 133 G CA 0.370 45.395 45.100 -0.124 0.000 0.800 133 G HN 0.205 nan 8.290 nan 0.000 0.523 134 D N -0.276 119.989 120.400 -0.225 0.000 2.422 134 D HA 0.045 4.499 4.640 -0.310 0.000 0.218 134 D C 2.330 178.581 176.300 -0.081 0.000 1.047 134 D CA -0.229 53.540 54.000 -0.386 0.000 0.885 134 D CB 0.172 40.600 40.800 -0.619 0.000 1.035 134 D HN 0.112 nan 8.370 nan 0.000 0.502 135 L N 2.037 123.306 121.223 0.076 0.000 2.089 135 L HA -0.209 3.945 4.340 -0.310 0.000 0.213 135 L C 2.278 179.170 176.870 0.036 0.000 1.079 135 L CA 1.570 56.528 54.840 0.197 0.000 0.758 135 L CB -0.850 41.252 42.059 0.072 0.000 0.891 135 L HN 0.160 nan 8.230 nan 0.000 0.433 136 K N -1.544 118.756 120.400 -0.166 0.000 2.442 136 K HA -0.170 3.963 4.320 -0.310 0.000 0.198 136 K C 1.067 177.510 176.600 -0.263 0.000 1.044 136 K CA 1.395 57.527 56.287 -0.259 0.000 0.948 136 K CB -0.282 31.984 32.500 -0.390 0.000 0.762 136 K HN 0.453 nan 8.250 nan 0.000 0.472 137 H N 0.543 119.626 119.070 0.022 0.000 2.652 137 H HA 0.157 4.526 4.556 -0.311 0.000 0.274 137 H C -0.170 175.318 175.328 0.267 0.000 1.021 137 H CA -0.282 55.824 56.048 0.096 0.000 1.187 137 H CB 0.227 29.909 29.762 -0.132 0.000 1.505 137 H HN 0.431 nan 8.280 nan 0.000 0.530 138 E N 1.671 122.021 120.200 0.250 0.000 2.415 138 E HA 0.018 4.182 4.350 -0.310 0.000 0.262 138 E C -0.490 176.108 176.600 -0.003 0.000 1.038 138 E CA 0.207 56.514 56.400 -0.156 0.000 0.921 138 E CB 0.703 30.075 29.700 -0.547 0.000 0.950 138 E HN -0.028 nan 8.360 nan 0.000 0.438 139 T N 4.194 118.760 114.554 0.019 0.000 2.801 139 T HA 0.191 4.355 4.350 -0.310 0.000 0.306 139 T C -0.323 174.439 174.700 0.103 0.000 1.020 139 T CA -0.573 61.613 62.100 0.143 0.000 0.948 139 T CB 0.781 69.849 68.868 0.333 0.000 0.962 139 T HN 0.587 nan 8.240 nan 0.000 0.465 140 T N 0.813 115.400 114.554 0.055 0.000 2.882 140 T HA 0.440 4.604 4.350 -0.310 0.000 0.287 140 T C 1.806 176.526 174.700 0.034 0.000 1.014 140 T CA -0.341 61.784 62.100 0.041 0.000 1.049 140 T CB 1.225 70.095 68.868 0.003 0.000 1.001 140 T HN 0.438 nan 8.240 nan 0.000 0.525 141 G N 0.720 109.493 108.800 -0.045 0.000 2.446 141 G HA2 -0.188 3.586 3.960 -0.310 0.000 0.217 141 G HA3 -0.188 3.586 3.960 -0.310 0.000 0.217 141 G C 1.221 175.904 174.900 -0.362 0.000 1.168 141 G CA 0.804 45.694 45.100 -0.350 0.000 0.771 141 G HN 0.799 nan 8.290 nan 0.000 0.551 142 E N 0.954 121.004 120.200 -0.250 0.000 2.070 142 E HA -0.080 4.084 4.350 -0.310 0.000 0.197 142 E C 2.813 179.369 176.600 -0.074 0.000 1.004 142 E CA 1.366 57.694 56.400 -0.121 0.000 0.805 142 E CB -0.583 29.096 29.700 -0.035 0.000 0.744 142 E HN 0.390 nan 8.360 nan 0.000 0.451 143 A N 0.620 123.413 122.820 -0.044 0.000 1.883 143 A HA -0.195 3.939 4.320 -0.310 0.000 0.217 143 A C 2.259 179.826 177.584 -0.029 0.000 1.186 143 A CA 1.482 53.508 52.037 -0.017 0.000 0.624 143 A CB -0.775 18.233 19.000 0.014 0.000 0.822 143 A HN 0.215 nan 8.150 nan 0.000 0.444 144 L N -0.976 120.226 121.223 -0.035 0.000 2.056 144 L HA -0.220 3.933 4.340 -0.310 0.000 0.207 144 L C 2.719 179.536 176.870 -0.087 0.000 1.078 144 L CA 1.165 55.976 54.840 -0.048 0.000 0.749 144 L CB -0.653 41.395 42.059 -0.017 0.000 0.901 144 L HN 0.497 nan 8.230 nan 0.000 0.433 145 C N -0.270 118.970 119.300 -0.101 0.000 2.413 145 C HA -0.176 4.098 4.460 -0.310 0.000 0.277 145 C C 2.682 177.628 174.990 -0.074 0.000 1.265 145 C CA 0.771 59.736 59.018 -0.089 0.000 1.752 145 C CB -0.695 27.002 27.740 -0.072 0.000 1.998 145 C HN 0.508 nan 8.230 nan 0.000 0.489 146 E N 0.315 120.479 120.200 -0.059 0.000 2.028 146 E HA -0.165 3.999 4.350 -0.310 0.000 0.191 146 E C 2.467 179.031 176.600 -0.061 0.000 0.988 146 E CA 0.998 57.371 56.400 -0.045 0.000 0.799 146 E CB -0.056 29.627 29.700 -0.029 0.000 0.755 146 E HN 0.544 nan 8.360 nan 0.000 0.447 147 R N 0.110 120.568 120.500 -0.069 0.000 2.091 147 R HA -0.120 4.034 4.340 -0.310 0.000 0.238 147 R C 2.360 178.577 176.300 -0.138 0.000 1.136 147 R CA 1.118 57.169 56.100 -0.082 0.000 0.959 147 R CB -0.262 29.993 30.300 -0.076 0.000 0.856 147 R HN 0.241 nan 8.270 nan 0.000 0.437 148 L N -0.235 120.868 121.223 -0.199 0.000 2.552 148 L HA 0.133 4.287 4.340 -0.310 0.000 0.227 148 L C 0.863 177.577 176.870 -0.261 0.000 1.146 148 L CA 0.340 54.952 54.840 -0.380 0.000 0.858 148 L CB -0.228 41.546 42.059 -0.475 0.000 0.969 148 L HN 0.429 nan 8.230 nan 0.000 0.451 149 G N 1.509 110.232 108.800 -0.128 0.000 2.351 149 G HA2 -0.258 3.516 3.960 -0.310 0.000 0.297 149 G HA3 -0.258 3.516 3.960 -0.310 0.000 0.297 149 G C -0.380 174.499 174.900 -0.034 0.000 1.054 149 G CA -0.000 45.063 45.100 -0.061 0.000 1.123 149 G HN 0.232 nan 8.290 nan 0.000 0.512 150 L N -0.441 120.763 121.223 -0.033 0.000 2.354 150 L HA 0.537 4.691 4.340 -0.310 0.000 0.264 150 L C -0.200 176.681 176.870 0.018 0.000 1.008 150 L CA -1.284 53.558 54.840 0.003 0.000 0.819 150 L CB 1.835 43.898 42.059 0.006 0.000 1.339 150 L HN 0.174 nan 8.230 nan 0.000 0.420 151 D N 2.376 122.798 120.400 0.036 0.000 2.336 151 D HA 0.154 4.608 4.640 -0.310 0.000 0.249 151 D C -1.816 174.538 176.300 0.091 0.000 1.213 151 D CA -1.848 52.182 54.000 0.049 0.000 0.870 151 D CB 1.598 42.423 40.800 0.040 0.000 1.076 151 D HN 0.139 nan 8.370 nan 0.000 0.483 152 P HA -0.099 nan 4.420 nan 0.000 0.223 152 P C 0.068 177.504 177.300 0.226 0.000 1.140 152 P CA 0.992 64.208 63.100 0.193 0.000 0.783 152 P CB 0.331 32.111 31.700 0.132 0.000 0.759 153 D N -2.377 118.113 120.400 0.149 0.000 2.433 153 D HA 0.104 4.558 4.640 -0.310 0.000 0.211 153 D C 0.750 177.191 176.300 0.234 0.000 1.114 153 D CA 0.217 54.306 54.000 0.148 0.000 0.837 153 D CB 0.481 41.341 40.800 0.100 0.000 0.984 153 D HN 0.076 nan 8.370 nan 0.000 0.505 154 R N 0.930 121.524 120.500 0.157 0.000 2.782 154 R HA 0.607 4.761 4.340 -0.310 0.000 0.293 154 R C -0.813 175.520 176.300 0.054 0.000 1.333 154 R CA -0.210 55.903 56.100 0.022 0.000 1.479 154 R CB 1.556 31.845 30.300 -0.018 0.000 1.306 154 R HN -0.022 nan 8.270 nan 0.000 0.654 155 A N 0.725 123.658 122.820 0.188 0.000 2.594 155 A HA 0.738 4.872 4.320 -0.310 0.000 0.295 155 A C -1.467 176.254 177.584 0.228 0.000 1.071 155 A CA -0.553 51.588 52.037 0.172 0.000 0.685 155 A CB 1.693 20.797 19.000 0.173 0.000 1.285 155 A HN 0.276 nan 8.150 nan 0.000 0.405 156 L N 1.359 122.692 121.223 0.183 0.000 2.381 156 L HA 0.609 4.763 4.340 -0.310 0.000 0.274 156 L C -1.615 175.331 176.870 0.128 0.000 0.988 156 L CA -0.651 54.306 54.840 0.195 0.000 0.824 156 L CB 1.871 44.085 42.059 0.258 0.000 1.263 156 L HN 0.606 nan 8.230 nan 0.000 0.410 157 L N 4.837 126.076 121.223 0.027 0.000 2.381 157 L HA 0.591 4.745 4.340 -0.310 0.000 0.274 157 L C -0.915 175.922 176.870 -0.055 0.000 0.988 157 L CA -0.450 54.279 54.840 -0.186 0.000 0.824 157 L CB 1.512 43.240 42.059 -0.551 0.000 1.263 157 L HN 0.378 nan 8.230 nan 0.000 0.410 158 Y N 1.597 122.044 120.300 0.246 0.000 2.571 158 Y HA 0.786 5.150 4.550 -0.311 0.000 0.341 158 Y C -1.368 174.854 175.900 0.537 0.000 1.076 158 Y CA -1.681 56.683 58.100 0.439 0.000 1.029 158 Y CB 1.317 39.906 38.460 0.215 0.000 1.308 158 Y HN 0.390 nan 8.280 nan 0.000 0.461 159 L N 2.902 124.554 121.223 0.715 0.000 2.275 159 L HA 0.731 4.885 4.340 -0.310 0.000 0.288 159 L C -1.209 175.965 176.870 0.506 0.000 1.046 159 L CA -0.614 54.555 54.840 0.548 0.000 0.805 159 L CB 1.307 43.636 42.059 0.449 0.000 1.193 159 L HN 0.638 nan 8.230 nan 0.000 0.426 160 V N 6.451 126.642 119.914 0.461 0.000 2.334 160 V HA 0.579 4.513 4.120 -0.310 0.000 0.281 160 V C -0.294 176.177 176.094 0.628 0.000 1.016 160 V CA -0.475 62.093 62.300 0.447 0.000 0.832 160 V CB 1.376 33.344 31.823 0.241 0.000 0.999 160 V HN 0.633 nan 8.190 nan 0.000 0.439 161 V N 2.035 122.262 119.914 0.521 0.000 3.074 161 V HA 0.709 4.643 4.120 -0.310 0.000 0.314 161 V C 0.247 176.292 176.094 -0.083 0.000 1.117 161 V CA -0.928 61.515 62.300 0.237 0.000 1.014 161 V CB 2.129 34.075 31.823 0.205 0.000 1.057 161 V HN 0.780 nan 8.190 nan 0.000 0.438 162 T N -1.415 112.944 114.554 -0.326 0.000 2.897 162 T HA 0.290 4.454 4.350 -0.310 0.000 0.294 162 T C 0.822 175.426 174.700 -0.160 0.000 1.004 162 T CA -0.435 61.441 62.100 -0.374 0.000 1.106 162 T CB 1.355 70.063 68.868 -0.267 0.000 0.949 162 T HN 0.695 nan 8.240 nan 0.000 0.520 163 E N 2.491 122.534 120.200 -0.263 0.000 2.147 163 E HA -0.152 4.012 4.350 -0.310 0.000 0.199 163 E C 2.224 178.662 176.600 -0.269 0.000 1.005 163 E CA 1.782 58.028 56.400 -0.258 0.000 0.810 163 E CB -0.750 28.673 29.700 -0.461 0.000 0.736 163 E HN 0.974 nan 8.360 nan 0.000 0.460 164 G N -1.339 107.252 108.800 -0.349 0.000 2.679 164 G HA2 -0.098 3.675 3.960 -0.310 0.000 0.212 164 G HA3 -0.098 3.675 3.960 -0.310 0.000 0.212 164 G C 0.801 175.020 174.900 -1.136 0.000 1.137 164 G CA 0.075 44.769 45.100 -0.676 0.000 0.787 164 G HN 0.160 nan 8.290 nan 0.000 0.534 165 F N -0.252 119.576 119.950 -0.204 0.000 2.838 165 F HA 0.208 4.549 4.527 -0.310 0.000 0.329 165 F C 2.024 177.768 175.800 -0.094 0.000 1.116 165 F CA -0.606 57.289 58.000 -0.176 0.000 1.155 165 F CB 0.403 39.294 39.000 -0.181 0.000 1.106 165 F HN 0.039 nan 8.300 nan 0.000 0.538 166 K N 0.414 120.815 120.400 0.002 0.000 2.063 166 K HA -0.197 3.937 4.320 -0.310 0.000 0.208 166 K C 1.073 177.646 176.600 -0.044 0.000 1.048 166 K CA 2.097 58.375 56.287 -0.015 0.000 0.928 166 K CB -0.385 32.079 32.500 -0.061 0.000 0.713 166 K HN 0.162 nan 8.250 nan 0.000 0.442 167 E N 1.297 121.451 120.200 -0.075 0.000 2.150 167 E HA -0.077 4.087 4.350 -0.310 0.000 0.193 167 E C 2.053 178.672 176.600 0.031 0.000 0.985 167 E CA 1.267 57.625 56.400 -0.070 0.000 0.814 167 E CB -0.256 29.382 29.700 -0.103 0.000 0.752 167 E HN 0.493 nan 8.360 nan 0.000 0.466 168 A N 0.469 123.348 122.820 0.099 0.000 1.969 168 A HA -0.127 4.007 4.320 -0.310 0.000 0.218 168 A C 2.372 180.090 177.584 0.222 0.000 1.169 168 A CA 1.105 53.304 52.037 0.269 0.000 0.635 168 A CB -0.512 18.761 19.000 0.456 0.000 0.810 168 A HN 0.152 nan 8.150 nan 0.000 0.445 169 V N 0.091 120.095 119.914 0.150 0.000 2.270 169 V HA -0.314 3.620 4.120 -0.310 0.000 0.245 169 V C 2.845 178.972 176.094 0.054 0.000 1.043 169 V CA 1.950 64.311 62.300 0.103 0.000 1.014 169 V CB -1.269 30.594 31.823 0.067 0.000 0.645 169 V HN 0.892 nan 8.190 nan 0.000 0.447 170 C N 0.896 120.229 119.300 0.054 0.000 2.466 170 C HA 0.104 4.378 4.460 -0.310 0.000 0.283 170 C C 1.911 177.045 174.990 0.240 0.000 1.472 170 C CA 0.127 59.214 59.018 0.114 0.000 1.765 170 C CB -1.916 25.933 27.740 0.181 0.000 1.724 170 C HN 0.677 nan 8.230 nan 0.000 0.560 171 I N -2.029 118.659 120.570 0.197 0.000 3.874 171 I HA 0.361 4.345 4.170 -0.310 0.000 0.331 171 I C 0.082 176.272 176.117 0.122 0.000 1.489 171 I CA -0.270 61.152 61.300 0.204 0.000 1.187 171 I CB -0.953 37.155 38.000 0.179 0.000 1.150 171 I HN 0.110 nan 8.210 nan 0.000 0.412 172 N N 2.468 121.229 118.700 0.102 0.000 2.721 172 N HA -0.256 4.298 4.740 -0.310 0.000 0.249 172 N C -0.091 175.413 175.510 -0.009 0.000 1.072 172 N CA 0.940 54.009 53.050 0.032 0.000 0.710 172 N CB -1.999 36.467 38.487 -0.035 0.000 0.993 172 N HN 0.717 nan 8.380 nan 0.000 0.547 173 N N -0.732 118.023 118.700 0.091 0.000 2.279 173 N HA 0.058 4.612 4.740 -0.310 0.000 0.226 173 N C -0.269 175.363 175.510 0.202 0.000 1.126 173 N CA 0.142 53.260 53.050 0.112 0.000 0.846 173 N CB 0.733 39.313 38.487 0.155 0.000 1.050 173 N HN 0.118 nan 8.380 nan 0.000 0.502 174 T N 0.152 114.829 114.554 0.206 0.000 2.907 174 T HA 0.643 4.807 4.350 -0.310 0.000 0.290 174 T C -1.531 173.398 174.700 0.382 0.000 1.066 174 T CA -0.477 61.789 62.100 0.277 0.000 1.012 174 T CB 1.312 70.326 68.868 0.243 0.000 1.184 174 T HN 0.154 nan 8.240 nan 0.000 0.522 175 F N 0.052 120.106 119.950 0.174 0.000 2.665 175 F HA 0.694 5.034 4.527 -0.311 0.000 0.308 175 F C -2.087 173.787 175.800 0.124 0.000 1.112 175 F CA -1.446 56.643 58.000 0.148 0.000 0.972 175 F CB 0.723 39.729 39.000 0.010 0.000 1.295 175 F HN 0.334 nan 8.300 nan 0.000 0.440 176 L N 2.984 124.284 121.223 0.128 0.000 2.305 176 L HA 0.250 4.404 4.340 -0.310 0.000 0.281 176 L C -0.392 176.565 176.870 0.145 0.000 1.085 176 L CA -0.692 54.106 54.840 -0.070 0.000 0.813 176 L CB 0.546 42.467 42.059 -0.229 0.000 1.157 176 L HN 0.761 nan 8.230 nan 0.000 0.436 177 H N 4.225 123.282 119.070 -0.022 0.000 2.820 177 H HA 0.229 4.599 4.556 -0.311 0.000 0.248 177 H C 0.768 176.146 175.328 0.083 0.000 1.714 177 H CA -0.323 55.797 56.048 0.120 0.000 1.334 177 H CB 0.145 30.018 29.762 0.185 0.000 1.693 177 H HN 0.560 nan 8.280 nan 0.000 0.548 178 L N 2.075 123.281 121.223 -0.029 0.000 2.263 178 L HA -0.106 4.048 4.340 -0.310 0.000 0.216 178 L C 2.367 179.105 176.870 -0.221 0.000 1.111 178 L CA 1.354 56.132 54.840 -0.104 0.000 0.773 178 L CB -0.238 41.807 42.059 -0.024 0.000 0.906 178 L HN 0.679 nan 8.230 nan 0.000 0.439 179 G N -0.576 107.972 108.800 -0.420 0.000 2.511 179 G HA2 -0.070 3.704 3.960 -0.310 0.000 0.217 179 G HA3 -0.070 3.704 3.960 -0.310 0.000 0.217 179 G C 1.398 176.016 174.900 -0.470 0.000 1.133 179 G CA 0.512 45.387 45.100 -0.376 0.000 0.792 179 G HN 0.469 nan 8.290 nan 0.000 0.539 180 G N 0.458 108.707 108.800 -0.919 0.000 3.262 180 G HA2 0.300 4.074 3.960 -0.310 0.000 0.228 180 G HA3 0.300 4.074 3.960 -0.310 0.000 0.228 180 G C 0.578 175.448 174.900 -0.050 0.000 1.197 180 G CA -0.062 44.894 45.100 -0.240 0.000 0.819 180 G HN 0.287 nan 8.290 nan 0.000 0.531 181 S N 1.343 116.986 115.700 -0.094 0.000 2.563 181 S HA 0.347 4.631 4.470 -0.310 0.000 0.284 181 S C 0.105 174.710 174.600 0.008 0.000 1.331 181 S CA 0.095 58.283 58.200 -0.019 0.000 1.047 181 S CB 0.879 64.063 63.200 -0.026 0.000 0.859 181 S HN 0.719 nan 8.310 nan 0.000 0.514 182 D N 0.756 121.161 120.400 0.007 0.000 2.768 182 D HA 0.435 4.889 4.640 -0.310 0.000 0.327 182 D C -1.335 174.914 176.300 -0.085 0.000 1.302 182 D CA -0.835 53.151 54.000 -0.024 0.000 0.897 182 D CB 0.957 41.744 40.800 -0.021 0.000 1.420 182 D HN 0.376 nan 8.370 nan 0.000 0.494 183 K N -0.224 120.098 120.400 -0.131 0.000 2.435 183 K HA 0.664 4.798 4.320 -0.310 0.000 0.251 183 K C -0.642 175.846 176.600 -0.186 0.000 0.954 183 K CA -0.989 55.168 56.287 -0.216 0.000 0.820 183 K CB 2.845 35.195 32.500 -0.249 0.000 1.292 183 K HN 0.480 nan 8.250 nan 0.000 0.436 184 V N -2.197 117.592 119.914 -0.209 0.000 3.160 184 V HA 0.635 4.569 4.120 -0.310 0.000 0.310 184 V C -0.764 175.261 176.094 -0.115 0.000 1.181 184 V CA -0.729 61.485 62.300 -0.144 0.000 1.047 184 V CB 2.002 33.741 31.823 -0.140 0.000 1.068 184 V HN 0.696 nan 8.190 nan 0.000 0.441 185 T N 2.791 117.303 114.554 -0.069 0.000 2.792 185 T HA 0.732 4.896 4.350 -0.310 0.000 0.280 185 T C -0.489 174.193 174.700 -0.030 0.000 0.990 185 T CA -0.046 62.020 62.100 -0.057 0.000 0.960 185 T CB 0.862 69.695 68.868 -0.057 0.000 0.939 185 T HN 0.640 nan 8.240 nan 0.000 0.439 186 I N 2.475 123.031 120.570 -0.024 0.000 2.420 186 I HA 0.435 4.419 4.170 -0.310 0.000 0.282 186 I C 0.972 177.064 176.117 -0.043 0.000 1.019 186 I CA -0.584 60.705 61.300 -0.020 0.000 1.130 186 I CB 1.412 39.425 38.000 0.020 0.000 1.262 186 I HN 0.922 nan 8.210 nan 0.000 0.454 187 G N 4.248 113.011 108.800 -0.062 0.000 2.273 187 G HA2 -0.138 3.636 3.960 -0.310 0.000 0.280 187 G HA3 -0.138 3.636 3.960 -0.310 0.000 0.280 187 G C 1.005 175.866 174.900 -0.064 0.000 1.047 187 G CA 0.535 45.590 45.100 -0.076 0.000 0.869 187 G HN 1.404 nan 8.290 nan 0.000 0.502 188 G N -1.647 107.118 108.800 -0.058 0.000 2.304 188 G HA2 0.119 3.893 3.960 -0.310 0.000 0.252 188 G HA3 0.119 3.893 3.960 -0.310 0.000 0.252 188 G C 1.014 175.883 174.900 -0.052 0.000 1.014 188 G CA 1.358 46.426 45.100 -0.054 0.000 0.619 188 G HN 2.361 nan 8.290 nan 0.000 0.525 189 A N 0.405 123.195 122.820 -0.050 0.000 2.340 189 A HA 0.611 4.745 4.320 -0.310 0.000 0.268 189 A C 0.513 178.061 177.584 -0.059 0.000 1.100 189 A CA 0.588 52.596 52.037 -0.047 0.000 0.803 189 A CB 0.533 19.512 19.000 -0.035 0.000 1.043 189 A HN 0.701 nan 8.150 nan 0.000 0.488 190 E N 1.334 121.489 120.200 -0.075 0.000 2.313 190 E HA 0.470 4.634 4.350 -0.310 0.000 0.276 190 E C -1.459 175.058 176.600 -0.139 0.000 1.031 190 E CA -0.231 56.093 56.400 -0.126 0.000 0.857 190 E CB 0.853 30.463 29.700 -0.150 0.000 1.040 190 E HN 0.320 nan 8.360 nan 0.000 0.408 191 V N 4.610 124.409 119.914 -0.192 0.000 2.623 191 V HA 0.222 4.156 4.120 -0.310 0.000 0.304 191 V C -0.778 175.133 176.094 -0.306 0.000 1.054 191 V CA -0.801 61.395 62.300 -0.174 0.000 0.882 191 V CB 1.589 33.369 31.823 -0.072 0.000 1.002 191 V HN 0.766 nan 8.190 nan 0.000 0.424 192 H N 3.571 122.537 119.070 -0.173 0.000 2.546 192 H HA 0.807 5.177 4.556 -0.310 0.000 0.365 192 H C 0.389 175.523 175.328 -0.323 0.000 1.220 192 H CA -0.391 55.539 56.048 -0.196 0.000 1.386 192 H CB 0.831 30.519 29.762 -0.124 0.000 1.510 192 H HN 0.692 nan 8.280 nan 0.000 0.591 193 R N 1.179 121.601 120.500 -0.129 0.000 2.572 193 R HA 0.353 4.507 4.340 -0.310 0.000 0.273 193 R C -2.086 174.219 176.300 0.009 0.000 1.168 193 R CA -0.545 55.433 56.100 -0.203 0.000 1.021 193 R CB 0.346 30.260 30.300 -0.644 0.000 1.249 193 R HN 0.445 nan 8.270 nan 0.000 0.423 194 I N 4.288 124.894 120.570 0.059 0.000 2.312 194 I HA 0.361 4.345 4.170 -0.310 0.000 0.290 194 I C -1.930 174.226 176.117 0.064 0.000 1.008 194 I CA -2.596 58.725 61.300 0.035 0.000 1.226 194 I CB 1.882 39.845 38.000 -0.062 0.000 1.371 194 I HN 0.417 nan 8.210 nan 0.000 0.468 195 P HA 0.067 nan 4.420 nan 0.000 0.268 195 P C -0.595 176.505 177.300 -0.334 0.000 1.205 195 P CA -0.004 62.936 63.100 -0.266 0.000 0.771 195 P CB 1.355 32.948 31.700 -0.178 0.000 0.858 196 V N 4.841 124.437 119.914 -0.530 0.000 2.483 196 V HA 0.384 4.318 4.120 -0.310 0.000 0.295 196 V C -0.280 175.386 176.094 -0.713 0.000 1.035 196 V CA -0.240 61.798 62.300 -0.437 0.000 0.896 196 V CB 0.772 32.485 31.823 -0.184 0.000 0.986 196 V HN 0.475 nan 8.190 nan 0.000 0.447 197 Y N 3.767 123.732 120.300 -0.559 0.000 2.605 197 Y HA 0.568 4.932 4.550 -0.310 0.000 0.343 197 Y C -2.549 173.183 175.900 -0.280 0.000 1.036 197 Y CA -2.645 55.135 58.100 -0.534 0.000 1.065 197 Y CB 2.484 40.501 38.460 -0.739 0.000 1.288 197 Y HN 0.417 nan 8.280 nan 0.000 0.481 198 P HA 0.129 nan 4.420 nan 0.000 0.286 198 P C 0.186 177.790 177.300 0.507 0.000 1.269 198 P CA -0.256 63.041 63.100 0.330 0.000 0.787 198 P CB 0.944 32.839 31.700 0.325 0.000 0.920 199 L N 2.990 124.469 121.223 0.426 0.000 2.127 199 L HA -0.191 3.962 4.340 -0.310 0.000 0.211 199 L C 1.997 179.064 176.870 0.328 0.000 1.089 199 L CA 1.949 56.974 54.840 0.310 0.000 0.757 199 L CB -1.424 40.696 42.059 0.102 0.000 0.899 199 L HN 0.380 nan 8.230 nan 0.000 0.434 200 Q N -0.979 118.961 119.800 0.234 0.000 2.325 200 Q HA -0.227 3.927 4.340 -0.310 0.000 0.211 200 Q C 2.270 178.411 176.000 0.234 0.000 0.988 200 Q CA 1.024 56.956 55.803 0.215 0.000 0.887 200 Q CB -0.503 28.323 28.738 0.147 0.000 0.915 200 Q HN 0.462 nan 8.270 nan 0.000 0.440 201 L N -0.983 120.395 121.223 0.259 0.000 2.081 201 L HA -0.199 3.955 4.340 -0.310 0.000 0.212 201 L C 1.051 177.937 176.870 0.026 0.000 1.080 201 L CA 1.259 56.154 54.840 0.091 0.000 0.754 201 L CB -0.089 41.993 42.059 0.040 0.000 0.893 201 L HN 0.275 nan 8.230 nan 0.000 0.433 202 F N -0.743 119.312 119.950 0.176 0.000 2.811 202 F HA 0.073 4.413 4.527 -0.310 0.000 0.301 202 F C 0.795 176.656 175.800 0.102 0.000 1.151 202 F CA 0.342 58.525 58.000 0.305 0.000 1.412 202 F CB -0.153 39.028 39.000 0.302 0.000 1.113 202 F HN 0.020 nan 8.300 nan 0.000 0.579 203 M N 0.924 120.609 119.600 0.141 0.000 2.065 203 M HA 0.307 4.601 4.480 -0.310 0.000 0.308 203 M C -2.595 173.712 176.300 0.011 0.000 0.939 203 M CA -1.859 53.401 55.300 -0.065 0.000 0.890 203 M CB 1.107 33.568 32.600 -0.233 0.000 1.383 203 M HN -0.304 nan 8.290 nan 0.000 0.381 204 P HA -0.043 nan 4.420 nan 0.000 0.264 204 P C -0.525 176.813 177.300 0.063 0.000 1.183 204 P CA 0.726 63.836 63.100 0.017 0.000 0.763 204 P CB 0.332 32.011 31.700 -0.035 0.000 0.807 205 D N 0.056 120.513 120.400 0.095 0.000 2.723 205 D HA -0.242 4.212 4.640 -0.310 0.000 0.236 205 D C -0.586 175.820 176.300 0.177 0.000 1.138 205 D CA 1.031 55.094 54.000 0.105 0.000 0.676 205 D CB -1.675 39.165 40.800 0.067 0.000 1.069 205 D HN 0.284 nan 8.370 nan 0.000 0.430 206 F N 0.490 120.446 119.950 0.010 0.000 2.460 206 F HA 0.364 4.704 4.527 -0.311 0.000 0.341 206 F C 0.743 176.559 175.800 0.027 0.000 1.130 206 F CA -0.616 57.387 58.000 0.005 0.000 0.962 206 F CB 1.642 40.635 39.000 -0.011 0.000 1.171 206 F HN -0.231 nan 8.300 nan 0.000 0.436 207 S N 4.149 119.688 115.700 -0.269 0.000 2.539 207 S HA 0.258 4.542 4.470 -0.310 0.000 0.221 207 S C 0.433 174.878 174.600 -0.257 0.000 0.987 207 S CA -0.429 57.699 58.200 -0.119 0.000 0.929 207 S CB -0.087 63.112 63.200 -0.002 0.000 0.832 207 S HN 0.390 nan 8.310 nan 0.000 0.492 208 R N 1.214 121.246 120.500 -0.780 0.000 2.543 208 R HA 0.470 4.624 4.340 -0.310 0.000 0.268 208 R C -0.061 175.968 176.300 -0.453 0.000 1.067 208 R CA -0.660 55.043 56.100 -0.661 0.000 1.142 208 R CB -0.113 29.682 30.300 -0.841 0.000 1.110 208 R HN -0.032 nan 8.270 nan 0.000 0.549 209 V N 2.487 122.238 119.914 -0.271 0.000 2.715 209 V HA 0.134 4.068 4.120 -0.310 0.000 0.299 209 V C 0.895 176.962 176.094 -0.045 0.000 1.054 209 V CA -0.088 62.123 62.300 -0.149 0.000 1.077 209 V CB 0.684 32.487 31.823 -0.033 0.000 0.972 209 V HN 0.460 nan 8.190 nan 0.000 0.484 210 I N 4.095 124.661 120.570 -0.005 0.000 2.315 210 I HA 0.521 4.505 4.170 -0.310 0.000 0.291 210 I C 0.493 176.600 176.117 -0.017 0.000 1.006 210 I CA -0.033 61.291 61.300 0.040 0.000 1.265 210 I CB 1.305 39.317 38.000 0.020 0.000 1.387 210 I HN 0.689 nan 8.210 nan 0.000 0.475 211 A N 5.233 128.026 122.820 -0.044 0.000 2.312 211 A HA 0.586 4.720 4.320 -0.310 0.000 0.328 211 A C 0.022 177.556 177.584 -0.085 0.000 1.158 211 A CA -0.321 51.690 52.037 -0.044 0.000 0.821 211 A CB 0.524 19.501 19.000 -0.038 0.000 1.170 211 A HN 0.749 nan 8.150 nan 0.000 0.490 212 E N 0.386 120.564 120.200 -0.036 0.000 2.260 212 E HA -0.136 4.028 4.350 -0.310 0.000 0.204 212 E C -2.026 174.534 176.600 -0.067 0.000 1.319 212 E CA 0.886 57.276 56.400 -0.017 0.000 0.679 212 E CB -1.683 27.977 29.700 -0.067 0.000 1.158 212 E HN 0.644 nan 8.360 nan 0.000 0.376 213 P HA -0.039 nan 4.420 nan 0.000 0.242 213 P C 1.000 178.168 177.300 -0.220 0.000 1.197 213 P CA 0.558 63.549 63.100 -0.181 0.000 0.765 213 P CB -0.057 31.471 31.700 -0.286 0.000 0.936 214 F N -0.075 119.882 119.950 0.011 0.000 2.776 214 F HA 0.158 4.497 4.527 -0.313 0.000 0.300 214 F C 1.153 176.935 175.800 -0.030 0.000 1.116 214 F CA -0.247 57.735 58.000 -0.031 0.000 1.375 214 F CB -0.758 38.167 39.000 -0.124 0.000 1.109 214 F HN -0.106 nan 8.300 nan 0.000 0.585 215 N N 1.290 120.026 118.700 0.059 0.000 2.421 215 N HA 0.193 4.747 4.740 -0.310 0.000 0.260 215 N C 1.014 176.402 175.510 -0.204 0.000 1.173 215 N CA 0.251 53.273 53.050 -0.047 0.000 0.960 215 N CB 0.795 39.226 38.487 -0.094 0.000 1.273 215 N HN 0.150 nan 8.380 nan 0.000 0.497 216 A N 3.617 126.365 122.820 -0.120 0.000 2.225 216 A HA -0.075 4.059 4.320 -0.310 0.000 0.215 216 A C 1.007 178.440 177.584 -0.252 0.000 1.164 216 A CA 0.788 52.699 52.037 -0.210 0.000 0.710 216 A CB -0.156 18.854 19.000 0.016 0.000 0.780 216 A HN 0.739 nan 8.150 nan 0.000 0.473 217 N N -0.292 118.305 118.700 -0.173 0.000 2.273 217 N HA 0.042 4.596 4.740 -0.310 0.000 0.231 217 N C -0.312 175.127 175.510 -0.119 0.000 1.134 217 N CA -0.122 52.851 53.050 -0.129 0.000 0.856 217 N CB -0.054 38.392 38.487 -0.068 0.000 1.068 217 N HN 0.571 nan 8.380 nan 0.000 0.510 218 H N 1.634 120.513 119.070 -0.319 0.000 2.886 218 H HA 0.081 4.451 4.556 -0.309 0.000 0.329 218 H C 1.429 176.591 175.328 -0.276 0.000 1.044 218 H CA 0.411 56.280 56.048 -0.299 0.000 1.456 218 H CB 0.716 30.244 29.762 -0.391 0.000 1.464 218 H HN -0.015 nan 8.280 nan 0.000 0.573 219 R N 2.398 122.589 120.500 -0.515 0.000 2.159 219 R HA -0.126 4.028 4.340 -0.310 0.000 0.237 219 R C 1.490 177.446 176.300 -0.573 0.000 1.131 219 R CA 1.640 57.465 56.100 -0.459 0.000 0.982 219 R CB 0.059 30.179 30.300 -0.300 0.000 0.868 219 R HN 0.564 nan 8.270 nan 0.000 0.453 220 S N 0.144 115.262 115.700 -0.970 0.000 2.481 220 S HA 0.078 4.362 4.470 -0.310 0.000 0.231 220 S C 0.691 174.973 174.600 -0.530 0.000 0.996 220 S CA 0.151 57.936 58.200 -0.691 0.000 0.942 220 S CB -0.041 62.623 63.200 -0.894 0.000 0.768 220 S HN 0.227 nan 8.310 nan 0.000 0.520 221 I N 2.385 122.651 120.570 -0.507 0.000 2.710 221 I HA 0.042 4.026 4.170 -0.310 0.000 0.286 221 I C 1.275 177.118 176.117 -0.457 0.000 1.181 221 I CA -0.382 60.697 61.300 -0.368 0.000 1.430 221 I CB 0.161 37.971 38.000 -0.315 0.000 1.367 221 I HN 0.146 nan 8.210 nan 0.000 0.577 222 G N 4.490 112.830 108.800 -0.767 0.000 2.432 222 G HA2 0.090 3.864 3.960 -0.310 0.000 0.239 222 G HA3 0.090 3.864 3.960 -0.310 0.000 0.239 222 G C -0.159 174.233 174.900 -0.848 0.000 1.291 222 G CA -0.307 43.985 45.100 -1.347 0.000 0.863 222 G HN 0.654 nan 8.290 nan 0.000 0.560 223 E N 0.699 120.651 120.200 -0.412 0.000 2.366 223 E HA 0.247 4.411 4.350 -0.310 0.000 0.266 223 E C 0.671 177.383 176.600 0.187 0.000 1.051 223 E CA -0.283 56.067 56.400 -0.083 0.000 0.884 223 E CB 0.463 30.131 29.700 -0.054 0.000 1.006 223 E HN 0.394 nan 8.360 nan 0.000 0.417 224 K N 1.524 122.035 120.400 0.185 0.000 3.472 224 K HA -0.189 3.945 4.320 -0.310 0.000 0.315 224 K C -0.485 176.324 176.600 0.348 0.000 1.320 224 K CA 0.715 57.134 56.287 0.220 0.000 0.962 224 K CB -2.219 30.385 32.500 0.172 0.000 1.251 224 K HN 0.396 nan 8.250 nan 0.000 0.443 225 F N 1.020 121.021 119.950 0.085 0.000 2.382 225 F HA 0.216 4.556 4.527 -0.311 0.000 0.331 225 F C 1.344 177.250 175.800 0.178 0.000 1.121 225 F CA -0.322 57.782 58.000 0.174 0.000 1.183 225 F CB 0.833 39.986 39.000 0.255 0.000 1.207 225 F HN -0.256 nan 8.300 nan 0.000 0.555 226 T N 3.443 118.216 114.554 0.365 0.000 3.145 226 T HA 0.104 4.268 4.350 -0.310 0.000 0.362 226 T C -0.655 174.026 174.700 -0.032 0.000 1.340 226 T CA -0.283 61.919 62.100 0.170 0.000 1.069 226 T CB -0.887 68.044 68.868 0.105 0.000 1.129 226 T HN 0.293 nan 8.240 nan 0.000 0.585 227 Y N 6.430 126.592 120.300 -0.231 0.000 2.805 227 Y HA 0.105 4.468 4.550 -0.311 0.000 0.331 227 Y C -1.606 173.873 175.900 -0.702 0.000 1.241 227 Y CA -1.616 56.115 58.100 -0.614 0.000 1.546 227 Y CB 0.431 38.704 38.460 -0.311 0.000 1.248 227 Y HN 0.382 nan 8.280 nan 0.000 0.559 228 P HA 0.129 nan 4.420 nan 0.000 0.279 228 P C -1.349 175.491 177.300 -0.766 0.000 1.282 228 P CA -0.591 61.864 63.100 -1.075 0.000 0.788 228 P CB 1.194 31.928 31.700 -1.610 0.000 1.139 229 L N 1.534 122.540 121.223 -0.361 0.000 2.260 229 L HA 0.448 4.602 4.340 -0.310 0.000 0.289 229 L C -2.508 174.333 176.870 -0.049 0.000 1.057 229 L CA -2.368 52.395 54.840 -0.128 0.000 0.811 229 L CB 0.241 42.331 42.059 0.051 0.000 1.184 229 L HN 0.163 nan 8.230 nan 0.000 0.429 230 P HA -0.095 nan 4.420 nan 0.000 0.266 230 P C -1.114 176.353 177.300 0.279 0.000 1.186 230 P CA 0.213 63.261 63.100 -0.086 0.000 0.767 230 P CB 0.148 31.449 31.700 -0.665 0.000 0.820 231 F N 5.325 125.371 119.950 0.161 0.000 2.462 231 F HA 0.357 4.701 4.527 -0.305 0.000 0.354 231 F C -1.120 174.838 175.800 0.265 0.000 1.192 231 F CA -1.568 56.548 58.000 0.193 0.000 1.173 231 F CB -1.013 38.066 39.000 0.132 0.000 1.402 231 F HN 0.039 nan 8.300 nan 0.000 0.595 232 F N 7.682 127.706 119.950 0.123 0.000 2.332 232 F HA 0.426 4.765 4.527 -0.315 0.000 0.368 232 F C -1.099 174.673 175.800 -0.046 0.000 1.110 232 F CA -1.113 56.901 58.000 0.024 0.000 1.087 232 F CB 0.286 39.516 39.000 0.384 0.000 1.235 232 F HN 0.444 nan 8.300 nan 0.000 0.470 233 N N 5.875 124.294 118.700 -0.470 0.000 2.314 233 N HA 0.314 4.868 4.740 -0.310 0.000 0.294 233 N C 0.583 175.913 175.510 -0.299 0.000 1.029 233 N CA -0.353 52.419 53.050 -0.464 0.000 0.845 233 N CB 1.893 40.148 38.487 -0.386 0.000 1.321 233 N HN 0.782 nan 8.380 nan 0.000 0.481 234 R N 2.789 123.143 120.500 -0.243 0.000 2.055 234 R HA 0.018 4.172 4.340 -0.310 0.000 0.228 234 R C -0.876 175.462 176.300 0.063 0.000 1.143 234 R CA 1.514 57.642 56.100 0.046 0.000 0.945 234 R CB -0.876 29.473 30.300 0.082 0.000 0.841 234 R HN 0.491 nan 8.270 nan 0.000 0.429 235 P HA -0.201 nan 4.420 nan 0.000 0.216 235 P C 1.090 178.457 177.300 0.112 0.000 1.150 235 P CA 1.034 64.225 63.100 0.153 0.000 0.843 235 P CB 0.054 31.909 31.700 0.259 0.000 0.787 236 L N -0.224 121.015 121.223 0.026 0.000 1.973 236 L HA -0.136 4.018 4.340 -0.310 0.000 0.208 236 L C 1.784 178.546 176.870 -0.180 0.000 1.073 236 L CA 2.072 56.827 54.840 -0.142 0.000 0.746 236 L CB -1.689 40.006 42.059 -0.606 0.000 0.891 236 L HN -0.156 nan 8.230 nan 0.000 0.433 237 N N 0.058 118.609 118.700 -0.249 0.000 2.094 237 N HA -0.263 4.291 4.740 -0.310 0.000 0.191 237 N C 1.985 177.134 175.510 -0.602 0.000 1.023 237 N CA 1.779 54.615 53.050 -0.357 0.000 0.857 237 N CB -0.445 37.837 38.487 -0.341 0.000 1.013 237 N HN 0.410 nan 8.380 nan 0.000 0.426 238 R N 0.344 120.477 120.500 -0.611 0.000 2.081 238 R HA -0.083 4.071 4.340 -0.310 0.000 0.235 238 R C 2.003 178.242 176.300 -0.101 0.000 1.131 238 R CA 1.067 56.911 56.100 -0.427 0.000 0.960 238 R CB -0.467 29.807 30.300 -0.042 0.000 0.856 238 R HN 0.200 nan 8.270 nan 0.000 0.436 239 L N 0.824 122.025 121.223 -0.035 0.000 2.093 239 L HA -0.050 4.104 4.340 -0.310 0.000 0.208 239 L C 1.919 178.780 176.870 -0.015 0.000 1.085 239 L CA 1.541 56.403 54.840 0.037 0.000 0.755 239 L CB -0.270 41.854 42.059 0.108 0.000 0.904 239 L HN 0.282 nan 8.230 nan 0.000 0.435 240 L N -2.007 119.163 121.223 -0.087 0.000 2.027 240 L HA -0.190 3.964 4.340 -0.310 0.000 0.206 240 L C 2.430 179.272 176.870 -0.047 0.000 1.074 240 L CA 1.118 55.858 54.840 -0.167 0.000 0.745 240 L CB -0.628 41.322 42.059 -0.181 0.000 0.898 240 L HN 0.177 nan 8.230 nan 0.000 0.433 241 F N 0.878 120.719 119.950 -0.181 0.000 2.120 241 F HA -0.259 4.066 4.527 -0.337 0.000 0.300 241 F C 2.535 178.324 175.800 -0.019 0.000 1.095 241 F CA 1.722 59.669 58.000 -0.087 0.000 1.249 241 F CB -0.287 38.660 39.000 -0.088 0.000 0.995 241 F HN 0.142 nan 8.300 nan 0.000 0.480 242 E N -0.725 119.582 120.200 0.178 0.000 2.033 242 E HA -0.068 4.095 4.350 -0.310 0.000 0.189 242 E C 2.267 178.908 176.600 0.068 0.000 0.979 242 E CA 1.018 57.501 56.400 0.138 0.000 0.802 242 E CB -0.402 29.381 29.700 0.139 0.000 0.763 242 E HN 0.323 nan 8.360 nan 0.000 0.449 243 A N 0.620 123.465 122.820 0.042 0.000 2.132 243 A HA 0.059 4.192 4.320 -0.310 0.000 0.213 243 A C 2.112 179.694 177.584 -0.004 0.000 1.154 243 A CA 0.492 52.553 52.037 0.041 0.000 0.753 243 A CB 0.306 19.376 19.000 0.117 0.000 0.826 243 A HN 0.096 nan 8.150 nan 0.000 0.469 244 V N -1.704 118.160 119.914 -0.082 0.000 2.911 244 V HA -0.014 3.920 4.120 -0.310 0.000 0.237 244 V C 2.237 178.264 176.094 -0.112 0.000 1.156 244 V CA 1.127 63.359 62.300 -0.113 0.000 1.180 244 V CB 0.316 32.002 31.823 -0.228 0.000 0.932 244 V HN 0.226 nan 8.190 nan 0.000 0.483 245 V N 1.009 120.835 119.914 -0.148 0.000 2.535 245 V HA 0.032 3.966 4.120 -0.310 0.000 0.246 245 V C 2.613 178.657 176.094 -0.082 0.000 1.045 245 V CA 1.869 64.066 62.300 -0.171 0.000 1.058 245 V CB -1.047 30.554 31.823 -0.370 0.000 0.689 245 V HN 0.554 nan 8.190 nan 0.000 0.461 246 G N 1.258 110.039 108.800 -0.031 0.000 2.553 246 G HA2 -0.233 3.541 3.960 -0.310 0.000 0.218 246 G HA3 -0.233 3.541 3.960 -0.310 0.000 0.218 246 G C -0.174 174.705 174.900 -0.035 0.000 1.195 246 G CA 1.384 46.497 45.100 0.022 0.000 0.779 246 G HN 0.480 nan 8.290 nan 0.000 0.577 247 P HA -0.114 nan 4.420 nan 0.000 0.216 247 P C 2.182 179.444 177.300 -0.065 0.000 1.154 247 P CA 2.262 65.305 63.100 -0.096 0.000 0.865 247 P CB -0.169 31.480 31.700 -0.086 0.000 0.789 248 A N -0.304 122.492 122.820 -0.040 0.000 1.898 248 A HA -0.057 4.077 4.320 -0.310 0.000 0.216 248 A C 2.325 179.922 177.584 0.022 0.000 1.181 248 A CA 1.926 53.954 52.037 -0.016 0.000 0.620 248 A CB -1.615 17.370 19.000 -0.023 0.000 0.819 248 A HN 0.174 nan 8.150 nan 0.000 0.442 249 A N -0.386 122.461 122.820 0.044 0.000 1.892 249 A HA -0.104 4.030 4.320 -0.310 0.000 0.218 249 A C 2.263 179.989 177.584 0.237 0.000 1.188 249 A CA 2.159 54.284 52.037 0.147 0.000 0.631 249 A CB -1.085 18.040 19.000 0.209 0.000 0.822 249 A HN 0.425 nan 8.150 nan 0.000 0.447 250 V N -0.332 119.650 119.914 0.114 0.000 2.270 250 V HA -0.207 3.726 4.120 -0.310 0.000 0.245 250 V C 3.082 179.220 176.094 0.073 0.000 1.043 250 V CA 1.917 64.258 62.300 0.069 0.000 1.014 250 V CB -1.367 30.323 31.823 -0.222 0.000 0.645 250 V HN 0.647 nan 8.190 nan 0.000 0.447 251 A N -0.051 122.775 122.820 0.009 0.000 1.892 251 A HA -0.164 3.970 4.320 -0.310 0.000 0.218 251 A C 1.888 179.498 177.584 0.042 0.000 1.188 251 A CA 1.820 53.861 52.037 0.006 0.000 0.631 251 A CB -0.576 18.413 19.000 -0.017 0.000 0.822 251 A HN 0.539 nan 8.150 nan 0.000 0.447 252 L N 0.252 121.509 121.223 0.056 0.000 2.783 252 L HA 0.117 4.271 4.340 -0.310 0.000 0.236 252 L C 0.533 177.434 176.870 0.051 0.000 1.225 252 L CA -0.071 54.801 54.840 0.052 0.000 1.026 252 L CB -0.425 41.660 42.059 0.042 0.000 1.314 252 L HN 0.605 nan 8.230 nan 0.000 0.489 253 R N 0.150 120.705 120.500 0.093 0.000 2.828 253 R HA -0.219 3.935 4.340 -0.310 0.000 0.233 253 R C -0.265 176.028 176.300 -0.012 0.000 0.821 253 R CA 0.719 56.876 56.100 0.096 0.000 0.563 253 R CB -2.197 28.134 30.300 0.052 0.000 1.117 253 R HN 0.279 nan 8.270 nan 0.000 0.508 254 S N 0.541 116.277 115.700 0.061 0.000 2.532 254 S HA 0.355 4.639 4.470 -0.310 0.000 0.256 254 S C 1.023 175.624 174.600 0.001 0.000 1.298 254 S CA -0.907 57.276 58.200 -0.028 0.000 1.166 254 S CB 0.974 64.175 63.200 0.002 0.000 1.022 254 S HN 0.575 nan 8.310 nan 0.000 0.480 255 R N 2.180 122.515 120.500 -0.274 0.000 2.200 255 R HA -0.013 4.141 4.340 -0.310 0.000 0.234 255 R C 0.781 177.044 176.300 -0.061 0.000 1.127 255 R CA 0.770 56.580 56.100 -0.483 0.000 0.989 255 R CB -0.062 29.825 30.300 -0.687 0.000 0.869 255 R HN 0.488 nan 8.270 nan 0.000 0.459 256 N N 0.793 119.484 118.700 -0.016 0.000 2.555 256 N HA -0.014 4.540 4.740 -0.310 0.000 0.244 256 N C 0.805 176.380 175.510 0.108 0.000 1.114 256 N CA 0.064 53.147 53.050 0.056 0.000 0.963 256 N CB 0.884 39.388 38.487 0.028 0.000 1.276 256 N HN -0.160 nan 8.380 nan 0.000 0.510 257 V N 2.889 122.914 119.914 0.185 0.000 2.287 257 V HA -0.269 3.665 4.120 -0.310 0.000 0.248 257 V C 1.981 178.100 176.094 0.042 0.000 1.053 257 V CA 2.153 64.547 62.300 0.157 0.000 1.027 257 V CB -0.761 31.214 31.823 0.253 0.000 0.646 257 V HN 0.621 nan 8.190 nan 0.000 0.447 258 D N 0.401 120.922 120.400 0.201 0.000 2.133 258 D HA -0.217 4.237 4.640 -0.310 0.000 0.195 258 D C 2.071 178.409 176.300 0.064 0.000 0.997 258 D CA 1.684 55.810 54.000 0.210 0.000 0.840 258 D CB -0.191 40.830 40.800 0.370 0.000 0.947 258 D HN 0.405 nan 8.370 nan 0.000 0.452 259 A N -0.259 122.601 122.820 0.068 0.000 1.908 259 A HA -0.141 3.993 4.320 -0.310 0.000 0.218 259 A C 2.510 180.100 177.584 0.011 0.000 1.181 259 A CA 1.714 53.775 52.037 0.040 0.000 0.627 259 A CB -0.864 18.157 19.000 0.036 0.000 0.818 259 A HN 0.240 nan 8.150 nan 0.000 0.445 260 V N -0.174 119.735 119.914 -0.008 0.000 2.295 260 V HA -0.252 3.682 4.120 -0.310 0.000 0.246 260 V C 3.060 179.113 176.094 -0.068 0.000 1.049 260 V CA 1.932 64.215 62.300 -0.027 0.000 1.024 260 V CB -1.305 30.505 31.823 -0.022 0.000 0.648 260 V HN 0.625 nan 8.190 nan 0.000 0.447 261 A N 0.352 123.086 122.820 -0.145 0.000 1.908 261 A HA -0.238 3.896 4.320 -0.310 0.000 0.218 261 A C 2.354 179.902 177.584 -0.061 0.000 1.181 261 A CA 1.902 53.829 52.037 -0.183 0.000 0.627 261 A CB -0.486 18.286 19.000 -0.380 0.000 0.818 261 A HN 0.563 nan 8.150 nan 0.000 0.445 262 R N -0.513 119.981 120.500 -0.011 0.000 2.148 262 R HA 0.033 4.187 4.340 -0.310 0.000 0.223 262 R C 2.349 178.683 176.300 0.056 0.000 1.088 262 R CA 0.972 57.095 56.100 0.039 0.000 0.985 262 R CB -0.428 29.898 30.300 0.044 0.000 0.880 262 R HN 0.499 nan 8.270 nan 0.000 0.451 263 A N 1.636 124.480 122.820 0.039 0.000 1.930 263 A HA -0.022 4.112 4.320 -0.310 0.000 0.217 263 A C 2.398 180.003 177.584 0.036 0.000 1.175 263 A CA 1.458 53.530 52.037 0.059 0.000 0.627 263 A CB -0.433 18.590 19.000 0.038 0.000 0.815 263 A HN 0.353 nan 8.150 nan 0.000 0.443 264 A N -0.094 122.722 122.820 -0.007 0.000 1.898 264 A HA 0.219 4.353 4.320 -0.310 0.000 0.216 264 A C 2.483 180.028 177.584 -0.064 0.000 1.181 264 A CA 1.862 53.867 52.037 -0.053 0.000 0.620 264 A CB -0.958 17.990 19.000 -0.087 0.000 0.819 264 A HN 1.001 nan 8.150 nan 0.000 0.442 265 A N -1.061 121.761 122.820 0.004 0.000 1.933 265 A HA -0.214 3.920 4.320 -0.310 0.000 0.218 265 A C 2.020 179.734 177.584 0.216 0.000 1.175 265 A CA 1.837 53.927 52.037 0.087 0.000 0.628 265 A CB -1.010 18.137 19.000 0.245 0.000 0.814 265 A HN 0.822 nan 8.150 nan 0.000 0.444 266 H N -0.455 118.641 119.070 0.044 0.000 2.319 266 H HA -0.068 4.301 4.556 -0.312 0.000 0.299 266 H C 1.862 177.160 175.328 -0.050 0.000 1.092 266 H CA 1.466 57.501 56.048 -0.022 0.000 1.302 266 H CB -0.093 29.567 29.762 -0.170 0.000 1.373 266 H HN 0.419 nan 8.280 nan 0.000 0.497 267 L N 0.093 121.310 121.223 -0.009 0.000 2.201 267 L HA -0.097 4.057 4.340 -0.310 0.000 0.212 267 L C 2.873 179.684 176.870 -0.098 0.000 1.105 267 L CA 0.716 55.513 54.840 -0.071 0.000 0.775 267 L CB -0.292 41.724 42.059 -0.071 0.000 0.913 267 L HN 0.387 nan 8.230 nan 0.000 0.440 268 A N -0.612 122.081 122.820 -0.211 0.000 1.970 268 A HA -0.080 4.054 4.320 -0.310 0.000 0.216 268 A C 1.871 179.260 177.584 -0.324 0.000 1.170 268 A CA 1.015 52.769 52.037 -0.473 0.000 0.645 268 A CB -0.425 17.991 19.000 -0.974 0.000 0.816 268 A HN 0.298 nan 8.150 nan 0.000 0.447 269 F N -0.201 119.785 119.950 0.061 0.000 2.473 269 F HA 0.136 4.475 4.527 -0.312 0.000 0.294 269 F C 0.544 176.401 175.800 0.094 0.000 1.103 269 F CA 0.602 58.684 58.000 0.137 0.000 1.442 269 F CB 0.268 39.342 39.000 0.123 0.000 1.097 269 F HN 0.170 nan 8.300 nan 0.000 0.547 270 D N 0.280 120.822 120.400 0.238 0.000 2.432 270 D HA 0.054 4.508 4.640 -0.310 0.000 0.265 270 D C 1.242 177.614 176.300 0.120 0.000 1.160 270 D CA -0.111 53.995 54.000 0.177 0.000 0.911 270 D CB 0.378 41.306 40.800 0.214 0.000 1.052 270 D HN 0.174 nan 8.370 nan 0.000 0.508 271 E N 2.592 122.845 120.200 0.089 0.000 2.219 271 E HA -0.236 3.928 4.350 -0.310 0.000 0.198 271 E C 0.262 176.890 176.600 0.046 0.000 0.998 271 E CA 0.853 57.285 56.400 0.054 0.000 0.818 271 E CB -0.207 29.522 29.700 0.049 0.000 0.741 271 E HN 0.383 nan 8.360 nan 0.000 0.477 272 N N 0.877 119.613 118.700 0.060 0.000 2.434 272 N HA -0.051 4.503 4.740 -0.310 0.000 0.196 272 N C -0.290 175.240 175.510 0.034 0.000 1.183 272 N CA 0.158 53.230 53.050 0.036 0.000 0.849 272 N CB -0.308 38.201 38.487 0.036 0.000 0.992 272 N HN 0.319 nan 8.380 nan 0.000 0.460 273 H N 1.242 120.281 119.070 -0.050 0.000 2.742 273 H HA 0.220 4.590 4.556 -0.310 0.000 0.302 273 H C -0.133 175.119 175.328 -0.128 0.000 1.069 273 H CA 0.201 56.185 56.048 -0.106 0.000 1.446 273 H CB 0.485 30.100 29.762 -0.245 0.000 1.462 273 H HN 0.041 nan 8.280 nan 0.000 0.499 274 E N 2.764 122.523 120.200 -0.735 0.000 2.412 274 E HA 0.568 4.732 4.350 -0.310 0.000 0.255 274 E C 0.006 176.162 176.600 -0.740 0.000 0.933 274 E CA -0.826 55.238 56.400 -0.560 0.000 0.823 274 E CB 1.841 31.369 29.700 -0.287 0.000 1.352 274 E HN 0.917 nan 8.360 nan 0.000 0.406 275 G N 0.101 108.675 108.800 -0.377 0.000 2.760 275 G HA2 -0.010 3.764 3.960 -0.310 0.000 0.246 275 G HA3 -0.010 3.764 3.960 -0.310 0.000 0.246 275 G C -0.208 174.626 174.900 -0.110 0.000 1.359 275 G CA -0.604 44.359 45.100 -0.227 0.000 0.861 275 G HN 0.751 nan 8.290 nan 0.000 0.541 276 A N -0.477 122.356 122.820 0.022 0.000 2.555 276 A HA 0.698 4.832 4.320 -0.310 0.000 0.233 276 A C 1.365 179.070 177.584 0.201 0.000 1.060 276 A CA 2.054 54.150 52.037 0.098 0.000 0.759 276 A CB 0.350 19.412 19.000 0.104 0.000 0.995 276 A HN 2.621 nan 8.150 nan 0.000 0.506 277 A N 1.934 124.841 122.820 0.144 0.000 1.773 277 A HA 0.455 4.589 4.320 -0.310 0.000 0.210 277 A C 0.476 178.115 177.584 0.092 0.000 1.775 277 A CA -0.031 52.088 52.037 0.137 0.000 1.157 277 A CB -0.224 18.828 19.000 0.087 0.000 1.119 277 A HN 0.616 nan 8.150 nan 0.000 0.501 278 L N 2.205 123.465 121.223 0.062 0.000 2.483 278 L HA 0.206 4.360 4.340 -0.310 0.000 0.275 278 L C -1.919 174.974 176.870 0.038 0.000 1.220 278 L CA -1.419 53.442 54.840 0.036 0.000 0.833 278 L CB -0.745 41.323 42.059 0.015 0.000 1.102 278 L HN 0.250 nan 8.230 nan 0.000 0.490 279 P HA -0.089 nan 4.420 nan 0.000 0.263 279 P C 0.097 177.413 177.300 0.026 0.000 1.168 279 P CA 0.138 63.250 63.100 0.021 0.000 0.759 279 P CB 0.382 32.083 31.700 0.000 0.000 0.782 280 A N 3.264 126.110 122.820 0.043 0.000 2.125 280 A HA -0.142 3.991 4.320 -0.310 0.000 0.219 280 A C 1.148 178.764 177.584 0.054 0.000 1.156 280 A CA 1.578 53.650 52.037 0.058 0.000 0.671 280 A CB -0.655 18.381 19.000 0.061 0.000 0.794 280 A HN 0.672 nan 8.150 nan 0.000 0.459 281 D N -1.000 119.418 120.400 0.031 0.000 2.788 281 D HA 0.164 4.618 4.640 -0.310 0.000 0.289 281 D C 0.096 176.380 176.300 -0.026 0.000 1.340 281 D CA -0.501 53.515 54.000 0.027 0.000 0.831 281 D CB -0.753 40.063 40.800 0.027 0.000 1.103 281 D HN 0.411 nan 8.370 nan 0.000 0.476 282 I N 0.825 121.348 120.570 -0.078 0.000 2.752 282 I HA -0.022 3.962 4.170 -0.310 0.000 0.287 282 I C 0.413 176.299 176.117 -0.385 0.000 1.188 282 I CA 0.463 61.621 61.300 -0.237 0.000 1.427 282 I CB 1.076 38.895 38.000 -0.302 0.000 1.365 282 I HN -0.033 nan 8.210 nan 0.000 0.585 283 T N 5.916 120.215 114.554 -0.426 0.000 2.849 283 T HA 0.530 4.693 4.350 -0.310 0.000 0.276 283 T C -0.908 173.368 174.700 -0.706 0.000 0.971 283 T CA -0.286 61.592 62.100 -0.370 0.000 0.949 283 T CB 0.477 69.176 68.868 -0.280 0.000 1.093 283 T HN 0.340 nan 8.240 nan 0.000 0.545 284 F N 0.550 120.387 119.950 -0.187 0.000 2.561 284 F HA 0.338 4.685 4.527 -0.302 0.000 0.313 284 F C 0.578 176.288 175.800 -0.150 0.000 1.126 284 F CA -0.947 56.959 58.000 -0.157 0.000 0.918 284 F CB 1.673 40.566 39.000 -0.178 0.000 1.199 284 F HN 0.357 nan 8.300 nan 0.000 0.444 285 T N 2.838 117.446 114.554 0.089 0.000 2.829 285 T HA 0.403 4.567 4.350 -0.310 0.000 0.293 285 T C 0.260 175.008 174.700 0.079 0.000 0.970 285 T CA -0.131 62.052 62.100 0.138 0.000 1.168 285 T CB 0.354 69.405 68.868 0.304 0.000 0.911 285 T HN 0.685 nan 8.240 nan 0.000 0.535 286 A N 4.267 127.114 122.820 0.046 0.000 2.328 286 A HA 0.755 4.889 4.320 -0.310 0.000 0.284 286 A C -0.200 177.439 177.584 0.092 0.000 1.160 286 A CA -0.552 51.448 52.037 -0.061 0.000 0.818 286 A CB -0.315 18.675 19.000 -0.017 0.000 1.087 286 A HN 0.860 nan 8.150 nan 0.000 0.504 309 G N 1.066 109.828 108.800 -0.063 0.000 3.324 309 G HA2 0.279 4.053 3.960 -0.310 0.000 0.232 309 G HA3 0.279 4.053 3.960 -0.310 0.000 0.232 309 G C 0.885 175.705 174.900 -0.133 0.000 1.213 309 G CA 0.302 45.354 45.100 -0.081 0.000 1.637 309 G HN 0.315 nan 8.290 nan 0.000 0.572 310 F N 0.545 120.353 119.950 -0.237 0.000 2.134 310 F HA -0.083 4.259 4.527 -0.308 0.000 0.299 310 F C 2.394 177.987 175.800 -0.344 0.000 1.097 310 F CA 1.880 59.691 58.000 -0.314 0.000 1.264 310 F CB 0.257 39.081 39.000 -0.292 0.000 1.001 310 F HN 0.381 nan 8.300 nan 0.000 0.479 311 E N -0.379 119.764 120.200 -0.095 0.000 2.072 311 E HA -0.273 3.891 4.350 -0.310 0.000 0.191 311 E C 2.211 178.696 176.600 -0.192 0.000 0.985 311 E CA 1.085 57.356 56.400 -0.215 0.000 0.801 311 E CB -0.344 29.380 29.700 0.039 0.000 0.750 311 E HN 0.553 nan 8.360 nan 0.000 0.452 312 Q N 1.118 120.907 119.800 -0.020 0.000 2.014 312 Q HA -0.260 3.894 4.340 -0.310 0.000 0.207 312 Q C 2.211 178.065 176.000 -0.243 0.000 0.993 312 Q CA 1.673 57.471 55.803 -0.010 0.000 0.850 312 Q CB 0.005 28.743 28.738 0.001 0.000 0.916 312 Q HN 0.168 nan 8.270 nan 0.000 0.417 313 R N -0.139 120.108 120.500 -0.422 0.000 2.083 313 R HA -0.189 3.965 4.340 -0.310 0.000 0.237 313 R C 2.468 178.484 176.300 -0.475 0.000 1.137 313 R CA 1.447 57.157 56.100 -0.650 0.000 0.951 313 R CB -0.540 28.914 30.300 -1.409 0.000 0.851 313 R HN 0.284 nan 8.270 nan 0.000 0.434 314 L N 0.865 121.745 121.223 -0.572 0.000 2.042 314 L HA -0.128 4.026 4.340 -0.310 0.000 0.210 314 L C 2.245 179.086 176.870 -0.049 0.000 1.076 314 L CA 2.009 56.651 54.840 -0.331 0.000 0.749 314 L CB -0.689 41.067 42.059 -0.505 0.000 0.893 314 L HN 0.157 nan 8.230 nan 0.000 0.432 315 A N -1.202 121.536 122.820 -0.137 0.000 2.019 315 A HA -0.209 3.925 4.320 -0.310 0.000 0.219 315 A C 2.488 179.985 177.584 -0.145 0.000 1.164 315 A CA 1.920 53.801 52.037 -0.259 0.000 0.644 315 A CB -0.944 17.392 19.000 -1.106 0.000 0.805 315 A HN 0.682 nan 8.150 nan 0.000 0.449 316 S N -0.501 115.165 115.700 -0.058 0.000 2.395 316 S HA -0.080 4.204 4.470 -0.310 0.000 0.225 316 S C 1.731 176.381 174.600 0.084 0.000 1.027 316 S CA 1.267 59.495 58.200 0.047 0.000 0.965 316 S CB -0.819 62.457 63.200 0.127 0.000 0.812 316 S HN 0.308 nan 8.310 nan 0.000 0.482 317 V N 2.231 122.228 119.914 0.138 0.000 2.379 317 V HA -0.060 3.873 4.120 -0.310 0.000 0.245 317 V C 2.705 178.846 176.094 0.079 0.000 1.044 317 V CA 1.902 64.266 62.300 0.107 0.000 1.036 317 V CB -0.969 30.950 31.823 0.161 0.000 0.664 317 V HN 0.445 nan 8.190 nan 0.000 0.453 318 M N 0.360 120.011 119.600 0.085 0.000 2.175 318 M HA -0.095 4.199 4.480 -0.310 0.000 0.264 318 M C 2.401 178.725 176.300 0.040 0.000 1.063 318 M CA 2.039 57.383 55.300 0.072 0.000 1.119 318 M CB -0.558 32.105 32.600 0.105 0.000 1.377 318 M HN 0.420 nan 8.290 nan 0.000 0.415 319 A N 0.462 123.300 122.820 0.029 0.000 1.968 319 A HA 0.038 4.172 4.320 -0.310 0.000 0.217 319 A C 2.326 179.946 177.584 0.060 0.000 1.169 319 A CA 1.620 53.681 52.037 0.040 0.000 0.638 319 A CB -1.323 17.701 19.000 0.040 0.000 0.812 319 A HN 0.527 nan 8.150 nan 0.000 0.446 320 G N -0.068 108.765 108.800 0.056 0.000 2.446 320 G HA2 -0.272 3.501 3.960 -0.310 0.000 0.217 320 G HA3 -0.272 3.501 3.960 -0.310 0.000 0.217 320 G C 1.257 176.189 174.900 0.054 0.000 1.168 320 G CA 1.214 46.348 45.100 0.056 0.000 0.771 320 G HN 0.448 nan 8.290 nan 0.000 0.551 321 D N 0.908 121.336 120.400 0.046 0.000 2.097 321 D HA -0.043 4.411 4.640 -0.310 0.000 0.197 321 D C 2.926 179.244 176.300 0.031 0.000 0.984 321 D CA 1.173 55.195 54.000 0.037 0.000 0.826 321 D CB -0.462 40.358 40.800 0.033 0.000 0.973 321 D HN 0.254 nan 8.370 nan 0.000 0.460 322 A N 1.456 124.294 122.820 0.030 0.000 1.896 322 A HA -0.241 3.893 4.320 -0.310 0.000 0.220 322 A C 2.354 179.963 177.584 0.041 0.000 1.206 322 A CA 3.019 55.068 52.037 0.021 0.000 0.647 322 A CB -0.890 18.127 19.000 0.028 0.000 0.828 322 A HN 0.284 nan 8.150 nan 0.000 0.455 323 A N -1.021 121.856 122.820 0.095 0.000 1.873 323 A HA 0.010 4.144 4.320 -0.310 0.000 0.215 323 A C 2.157 179.831 177.584 0.149 0.000 1.186 323 A CA 1.690 53.836 52.037 0.181 0.000 0.616 323 A CB -0.703 18.431 19.000 0.224 0.000 0.823 323 A HN 0.724 nan 8.150 nan 0.000 0.442 324 L N -0.173 121.106 121.223 0.093 0.000 2.081 324 L HA -0.162 3.992 4.340 -0.310 0.000 0.212 324 L C 2.694 179.585 176.870 0.035 0.000 1.080 324 L CA 2.197 57.075 54.840 0.063 0.000 0.754 324 L CB -0.590 41.490 42.059 0.036 0.000 0.893 324 L HN 0.376 nan 8.230 nan 0.000 0.433 325 A N -1.038 121.792 122.820 0.016 0.000 1.873 325 A HA -0.179 3.955 4.320 -0.310 0.000 0.215 325 A C 2.193 179.762 177.584 -0.025 0.000 1.186 325 A CA 1.742 53.772 52.037 -0.012 0.000 0.616 325 A CB -0.970 18.013 19.000 -0.027 0.000 0.823 325 A HN 0.422 nan 8.150 nan 0.000 0.442 326 L N 0.350 121.538 121.223 -0.059 0.000 2.046 326 L HA -0.170 3.984 4.340 -0.310 0.000 0.208 326 L C 2.300 179.091 176.870 -0.131 0.000 1.077 326 L CA 2.690 57.428 54.840 -0.170 0.000 0.747 326 L CB -0.822 40.967 42.059 -0.450 0.000 0.896 326 L HN 0.647 nan 8.230 nan 0.000 0.432 327 E N -1.527 118.687 120.200 0.023 0.000 2.118 327 E HA -0.248 3.916 4.350 -0.310 0.000 0.195 327 E C 2.262 178.902 176.600 0.066 0.000 0.992 327 E CA 1.275 57.782 56.400 0.178 0.000 0.804 327 E CB -0.162 29.675 29.700 0.228 0.000 0.741 327 E HN 0.544 nan 8.360 nan 0.000 0.458 328 S N -0.034 115.672 115.700 0.010 0.000 2.356 328 S HA -0.142 4.142 4.470 -0.310 0.000 0.223 328 S C 1.975 176.560 174.600 -0.025 0.000 1.032 328 S CA 1.151 59.326 58.200 -0.042 0.000 1.005 328 S CB -0.266 62.896 63.200 -0.065 0.000 0.867 328 S HN 0.324 nan 8.310 nan 0.000 0.449 329 I N 1.739 122.313 120.570 0.007 0.000 2.113 329 I HA -0.162 3.822 4.170 -0.310 0.000 0.242 329 I C 2.395 178.540 176.117 0.047 0.000 1.064 329 I CA 1.360 62.687 61.300 0.045 0.000 1.320 329 I CB -1.652 36.414 38.000 0.109 0.000 1.028 329 I HN 0.215 nan 8.210 nan 0.000 0.406 330 V N 0.569 120.541 119.914 0.097 0.000 2.720 330 V HA -0.209 3.725 4.120 -0.310 0.000 0.256 330 V C 2.474 178.691 176.094 0.204 0.000 1.082 330 V CA 1.695 64.100 62.300 0.176 0.000 1.101 330 V CB -0.608 31.364 31.823 0.248 0.000 0.693 330 V HN 0.378 nan 8.190 nan 0.000 0.479 331 S N -0.511 115.242 115.700 0.089 0.000 2.436 331 S HA 0.061 4.345 4.470 -0.310 0.000 0.228 331 S C 1.547 176.118 174.600 -0.049 0.000 1.014 331 S CA 0.879 59.082 58.200 0.006 0.000 0.950 331 S CB -0.123 63.000 63.200 -0.130 0.000 0.784 331 S HN 0.407 nan 8.310 nan 0.000 0.504 332 M N 1.148 120.718 119.600 -0.050 0.000 2.493 332 M HA 0.400 4.694 4.480 -0.310 0.000 0.244 332 M C 0.525 176.774 176.300 -0.086 0.000 1.182 332 M CA -0.334 54.930 55.300 -0.060 0.000 0.981 332 M CB -1.353 31.207 32.600 -0.067 0.000 1.551 332 M HN 0.141 nan 8.290 nan 0.000 0.476 333 A N 0.629 123.358 122.820 -0.152 0.000 2.298 333 A HA 0.778 4.912 4.320 -0.310 0.000 0.302 333 A C -0.245 177.103 177.584 -0.394 0.000 1.177 333 A CA -0.519 51.124 52.037 -0.656 0.000 0.912 333 A CB 1.188 19.215 19.000 -1.621 0.000 1.331 333 A HN 0.118 nan 8.150 nan 0.000 0.504 334 V N 0.474 119.971 119.914 -0.695 0.000 2.488 334 V HA 0.399 4.333 4.120 -0.310 0.000 0.293 334 V C -1.371 174.502 176.094 -0.367 0.000 1.027 334 V CA -0.158 61.980 62.300 -0.271 0.000 0.862 334 V CB 0.688 32.468 31.823 -0.071 0.000 1.008 334 V HN 0.665 nan 8.190 nan 0.000 0.428 335 F N 1.906 121.770 119.950 -0.143 0.000 2.408 335 F HA 0.450 4.791 4.527 -0.309 0.000 0.325 335 F C 1.276 177.125 175.800 0.081 0.000 1.082 335 F CA -0.602 57.385 58.000 -0.022 0.000 1.032 335 F CB 1.078 39.993 39.000 -0.142 0.000 1.259 335 F HN 0.428 nan 8.300 nan 0.000 0.503 336 D N -0.938 119.623 120.400 0.269 0.000 2.289 336 D HA -0.036 4.418 4.640 -0.310 0.000 0.207 336 D C 0.292 176.716 176.300 0.207 0.000 0.966 336 D CA 0.738 54.855 54.000 0.195 0.000 0.868 336 D CB 0.072 40.955 40.800 0.138 0.000 0.943 336 D HN 0.283 nan 8.370 nan 0.000 0.514 337 E N 1.696 122.052 120.200 0.260 0.000 2.344 337 E HA 0.100 4.264 4.350 -0.310 0.000 0.270 337 E C -2.149 174.611 176.600 0.267 0.000 1.021 337 E CA -1.356 55.186 56.400 0.236 0.000 0.887 337 E CB 0.927 30.767 29.700 0.234 0.000 0.997 337 E HN 0.179 nan 8.360 nan 0.000 0.429 338 P HA 0.353 nan 4.420 nan 0.000 0.282 338 P C -2.670 174.561 177.300 -0.116 0.000 1.259 338 P CA -1.990 61.115 63.100 0.008 0.000 0.826 338 P CB 0.341 32.061 31.700 0.033 0.000 1.064 339 P HA 0.090 nan 4.420 nan 0.000 0.268 339 P C -0.117 177.147 177.300 -0.059 0.000 1.205 339 P CA 0.399 63.306 63.100 -0.322 0.000 0.771 339 P CB -0.166 31.342 31.700 -0.321 0.000 0.858 340 T N 1.407 115.988 114.554 0.046 0.000 2.932 340 T HA 0.081 4.245 4.350 -0.310 0.000 0.312 340 T C 0.013 174.793 174.700 0.134 0.000 1.071 340 T CA 0.028 62.243 62.100 0.192 0.000 1.128 340 T CB 0.125 69.225 68.868 0.386 0.000 0.984 340 T HN 0.365 nan 8.240 nan 0.000 0.549 341 D N 0.950 121.449 120.400 0.165 0.000 2.481 341 D HA 0.262 4.716 4.640 -0.310 0.000 0.246 341 D C 1.104 177.298 176.300 -0.177 0.000 1.109 341 D CA -0.866 53.130 54.000 -0.006 0.000 0.845 341 D CB 0.999 41.811 40.800 0.019 0.000 1.160 341 D HN 0.311 nan 8.370 nan 0.000 0.534 342 I N 2.178 122.439 120.570 -0.515 0.000 2.248 342 I HA -0.216 3.768 4.170 -0.310 0.000 0.248 342 I C 2.107 177.986 176.117 -0.395 0.000 1.107 342 I CA 1.177 61.897 61.300 -0.967 0.000 1.373 342 I CB -1.486 36.038 38.000 -0.794 0.000 1.055 342 I HN 0.335 nan 8.210 nan 0.000 0.418 343 S N 0.480 116.044 115.700 -0.227 0.000 2.603 343 S HA 0.295 4.579 4.470 -0.310 0.000 0.229 343 S C 1.677 176.296 174.600 0.031 0.000 0.972 343 S CA 0.387 58.525 58.200 -0.103 0.000 0.935 343 S CB -0.532 62.606 63.200 -0.104 0.000 0.769 343 S HN 0.560 nan 8.310 nan 0.000 0.536 344 A N -0.341 122.542 122.820 0.104 0.000 2.382 344 A HA 0.373 4.507 4.320 -0.310 0.000 0.228 344 A C -0.049 177.722 177.584 0.311 0.000 1.217 344 A CA -0.622 51.522 52.037 0.178 0.000 0.923 344 A CB -0.207 18.889 19.000 0.161 0.000 0.979 344 A HN 0.550 nan 8.150 nan 0.000 0.515 345 W N 2.107 123.463 121.300 0.092 0.000 2.655 345 W HA 0.261 4.734 4.660 -0.311 0.000 0.333 345 W C -1.684 174.809 176.519 -0.044 0.000 1.382 345 W CA -1.988 55.357 57.345 -0.000 0.000 1.398 345 W CB -0.118 29.317 29.460 -0.041 0.000 1.481 345 W HN 0.279 nan 8.180 nan 0.000 0.526 346 P HA -0.245 nan 4.420 nan 0.000 0.223 346 P C 1.689 178.906 177.300 -0.139 0.000 1.144 346 P CA 1.150 64.224 63.100 -0.044 0.000 0.783 346 P CB 0.240 31.859 31.700 -0.135 0.000 0.771 347 L N -2.055 119.023 121.223 -0.242 0.000 2.263 347 L HA -0.156 3.998 4.340 -0.310 0.000 0.216 347 L C 1.820 178.490 176.870 -0.333 0.000 1.111 347 L CA 1.664 56.279 54.840 -0.376 0.000 0.773 347 L CB -0.609 41.161 42.059 -0.482 0.000 0.906 347 L HN -0.200 nan 8.230 nan 0.000 0.439 348 F N 0.086 120.065 119.950 0.047 0.000 2.530 348 F HA 0.139 4.480 4.527 -0.311 0.000 0.292 348 F C 1.221 177.023 175.800 0.003 0.000 1.109 348 F CA -0.468 57.552 58.000 0.033 0.000 1.450 348 F CB -0.438 38.580 39.000 0.030 0.000 1.114 348 F HN -0.020 nan 8.300 nan 0.000 0.560 349 E N 0.629 120.917 120.200 0.146 0.000 3.379 349 E HA 0.045 4.209 4.350 -0.310 0.000 0.257 349 E C 1.293 177.927 176.600 0.057 0.000 0.882 349 E CA 0.883 57.326 56.400 0.072 0.000 0.962 349 E CB -0.229 29.478 29.700 0.010 0.000 0.900 349 E HN 0.489 nan 8.360 nan 0.000 0.560 350 G N 3.741 112.575 108.800 0.057 0.000 5.452 350 G HA2 -0.422 3.352 3.960 -0.310 0.000 0.310 350 G HA3 -0.422 3.352 3.960 -0.310 0.000 0.310 350 G C 0.540 175.479 174.900 0.066 0.000 1.392 350 G CA 0.252 45.381 45.100 0.047 0.000 0.942 350 G HN 0.569 nan 8.290 nan 0.000 0.776 351 Q N 2.320 122.165 119.800 0.076 0.000 3.025 351 Q HA 0.277 4.431 4.340 -0.310 0.000 0.251 351 Q C 0.325 176.414 176.000 0.149 0.000 1.348 351 Q CA 1.558 57.420 55.803 0.098 0.000 0.906 351 Q CB -0.443 28.350 28.738 0.092 0.000 1.764 351 Q HN 0.707 nan 8.270 nan 0.000 0.535 352 D N -1.192 119.281 120.400 0.122 0.000 2.557 352 D HA 0.061 4.515 4.640 -0.310 0.000 0.317 352 D C 0.557 176.878 176.300 0.035 0.000 1.403 352 D CA 0.299 54.372 54.000 0.122 0.000 0.886 352 D CB 0.602 41.498 40.800 0.160 0.000 1.363 352 D HN 0.197 nan 8.370 nan 0.000 0.458 353 T N -0.271 114.304 114.554 0.035 0.000 2.623 353 T HA 0.207 4.371 4.350 -0.310 0.000 0.254 353 T C 1.215 175.916 174.700 0.001 0.000 1.075 353 T CA 1.010 63.116 62.100 0.009 0.000 1.177 353 T CB -0.362 68.515 68.868 0.015 0.000 0.869 353 T HN 0.292 nan 8.240 nan 0.000 0.403 354 A N 0.751 123.581 122.820 0.017 0.000 2.448 354 A HA 0.559 4.693 4.320 -0.310 0.000 0.239 354 A C 1.764 179.354 177.584 0.010 0.000 1.080 354 A CA 0.222 52.267 52.037 0.012 0.000 0.779 354 A CB -0.239 18.776 19.000 0.025 0.000 1.026 354 A HN 0.539 nan 8.150 nan 0.000 0.499 355 A N 0.824 123.644 122.820 -0.001 0.000 2.259 355 A HA 0.282 4.416 4.320 -0.310 0.000 0.212 355 A C 1.537 179.140 177.584 0.032 0.000 1.178 355 A CA 1.339 53.373 52.037 -0.006 0.000 0.734 355 A CB -0.775 18.216 19.000 -0.015 0.000 0.774 355 A HN 1.782 nan 8.150 nan 0.000 0.481 356 A N 0.005 122.856 122.820 0.052 0.000 2.728 356 A HA 0.295 4.429 4.320 -0.310 0.000 0.258 356 A C 1.419 179.087 177.584 0.139 0.000 1.454 356 A CA -0.169 51.923 52.037 0.091 0.000 1.146 356 A CB -0.579 18.471 19.000 0.084 0.000 0.985 356 A HN 0.595 nan 8.150 nan 0.000 0.603 357 R N -0.393 120.197 120.500 0.151 0.000 2.223 357 R HA 0.166 4.320 4.340 -0.310 0.000 0.198 357 R C 2.119 178.609 176.300 0.317 0.000 0.984 357 R CA 0.855 57.118 56.100 0.271 0.000 1.018 357 R CB -0.170 30.265 30.300 0.223 0.000 0.945 357 R HN 0.440 nan 8.270 nan 0.000 0.479 358 A N 2.024 124.976 122.820 0.219 0.000 1.986 358 A HA -0.210 3.924 4.320 -0.310 0.000 0.220 358 A C 1.669 179.390 177.584 0.229 0.000 1.171 358 A CA 1.500 53.661 52.037 0.207 0.000 0.640 358 A CB -0.467 18.617 19.000 0.141 0.000 0.811 358 A HN 0.261 nan 8.150 nan 0.000 0.451 359 N N 0.360 119.214 118.700 0.257 0.000 2.084 359 N HA -0.134 4.420 4.740 -0.310 0.000 0.190 359 N C 2.049 177.633 175.510 0.124 0.000 1.030 359 N CA 1.497 54.774 53.050 0.378 0.000 0.849 359 N CB -0.547 38.219 38.487 0.465 0.000 1.012 359 N HN 0.466 nan 8.380 nan 0.000 0.423 360 A N 1.202 124.073 122.820 0.086 0.000 1.892 360 A HA -0.145 3.988 4.320 -0.310 0.000 0.218 360 A C 2.587 180.118 177.584 -0.088 0.000 1.188 360 A CA 1.694 53.697 52.037 -0.056 0.000 0.631 360 A CB -0.960 18.020 19.000 -0.032 0.000 0.822 360 A HN 0.130 nan 8.150 nan 0.000 0.447 361 V N -0.285 119.653 119.914 0.039 0.000 2.358 361 V HA -0.161 3.773 4.120 -0.310 0.000 0.246 361 V C 2.795 178.936 176.094 0.077 0.000 1.047 361 V CA 1.952 64.323 62.300 0.119 0.000 1.035 361 V CB -1.360 30.614 31.823 0.252 0.000 0.658 361 V HN 0.649 nan 8.190 nan 0.000 0.452 362 G N -0.424 108.403 108.800 0.046 0.000 2.418 362 G HA2 -0.205 3.569 3.960 -0.310 0.000 0.217 362 G HA3 -0.205 3.569 3.960 -0.310 0.000 0.217 362 G C 1.750 176.435 174.900 -0.358 0.000 1.158 362 G CA 0.987 46.121 45.100 0.057 0.000 0.771 362 G HN 0.603 nan 8.290 nan 0.000 0.545 363 A N -0.381 121.787 122.820 -1.087 0.000 1.969 363 A HA 0.026 4.160 4.320 -0.310 0.000 0.218 363 A C 2.173 179.475 177.584 -0.469 0.000 1.169 363 A CA 1.597 52.809 52.037 -1.376 0.000 0.635 363 A CB -0.549 17.343 19.000 -1.846 0.000 0.810 363 A HN 0.432 nan 8.150 nan 0.000 0.445 364 Y N 0.521 120.596 120.300 -0.376 0.000 2.109 364 Y HA -0.133 4.231 4.550 -0.310 0.000 0.285 364 Y C 2.007 177.825 175.900 -0.137 0.000 1.131 364 Y CA 1.763 59.705 58.100 -0.263 0.000 1.121 364 Y CB -0.514 37.816 38.460 -0.217 0.000 0.987 364 Y HN 0.203 nan 8.280 nan 0.000 0.495 365 L N -0.226 120.975 121.223 -0.036 0.000 2.129 365 L HA -0.303 3.851 4.340 -0.310 0.000 0.212 365 L C 2.690 179.672 176.870 0.188 0.000 1.087 365 L CA 1.223 56.119 54.840 0.094 0.000 0.757 365 L CB -1.029 41.160 42.059 0.218 0.000 0.896 365 L HN 0.356 nan 8.230 nan 0.000 0.434 366 A N 0.250 123.119 122.820 0.082 0.000 1.940 366 A HA -0.219 3.915 4.320 -0.310 0.000 0.219 366 A C 2.369 179.954 177.584 0.002 0.000 1.176 366 A CA 1.564 53.659 52.037 0.096 0.000 0.631 366 A CB -0.427 18.633 19.000 0.100 0.000 0.814 366 A HN 0.383 nan 8.150 nan 0.000 0.446 367 R N -0.408 119.987 120.500 -0.175 0.000 2.070 367 R HA -0.076 4.078 4.340 -0.310 0.000 0.233 367 R C 2.503 178.691 176.300 -0.188 0.000 1.137 367 R CA 1.285 57.221 56.100 -0.273 0.000 0.945 367 R CB -0.612 29.427 30.300 -0.435 0.000 0.845 367 R HN 0.476 nan 8.270 nan 0.000 0.430 368 A N 1.688 124.393 122.820 -0.191 0.000 1.948 368 A HA -0.182 3.952 4.320 -0.310 0.000 0.220 368 A C 2.452 180.021 177.584 -0.026 0.000 1.177 368 A CA 1.761 53.728 52.037 -0.118 0.000 0.636 368 A CB -0.766 18.146 19.000 -0.146 0.000 0.815 368 A HN 0.431 nan 8.150 nan 0.000 0.449 369 A N -0.441 122.499 122.820 0.200 0.000 1.927 369 A HA -0.059 4.074 4.320 -0.310 0.000 0.220 369 A C 2.452 180.162 177.584 0.209 0.000 1.185 369 A CA 2.293 54.537 52.037 0.345 0.000 0.639 369 A CB -1.540 17.716 19.000 0.428 0.000 0.820 369 A HN 0.889 nan 8.150 nan 0.000 0.451 370 G N -0.899 108.032 108.800 0.218 0.000 2.442 370 G HA2 -0.083 3.691 3.960 -0.310 0.000 0.219 370 G HA3 -0.083 3.691 3.960 -0.310 0.000 0.219 370 G C 1.389 176.544 174.900 0.425 0.000 1.141 370 G CA 1.222 46.632 45.100 0.517 0.000 0.763 370 G HN 0.377 nan 8.290 nan 0.000 0.554 371 L N 0.348 121.718 121.223 0.244 0.000 2.044 371 L HA 0.038 4.192 4.340 -0.310 0.000 0.205 371 L C 3.019 179.946 176.870 0.094 0.000 1.075 371 L CA 1.319 56.246 54.840 0.146 0.000 0.747 371 L CB -0.796 41.331 42.059 0.114 0.000 0.903 371 L HN 0.142 nan 8.230 nan 0.000 0.435 372 V N -0.522 119.392 119.914 -0.001 0.000 2.594 372 V HA -0.146 3.788 4.120 -0.310 0.000 0.253 372 V C 2.211 178.261 176.094 -0.072 0.000 1.069 372 V CA 1.918 64.154 62.300 -0.107 0.000 1.082 372 V CB -0.853 30.782 31.823 -0.312 0.000 0.680 372 V HN 0.456 nan 8.190 nan 0.000 0.469 373 G N -0.266 108.551 108.800 0.028 0.000 2.433 373 G HA2 -0.211 3.563 3.960 -0.310 0.000 0.216 373 G HA3 -0.211 3.563 3.960 -0.310 0.000 0.216 373 G C 1.803 176.691 174.900 -0.020 0.000 1.186 373 G CA 1.083 46.209 45.100 0.042 0.000 0.779 373 G HN 0.860 nan 8.290 nan 0.000 0.543 374 A N 0.397 123.235 122.820 0.031 0.000 1.940 374 A HA 0.005 4.139 4.320 -0.310 0.000 0.219 374 A C 2.344 179.909 177.584 -0.033 0.000 1.176 374 A CA 1.931 53.975 52.037 0.011 0.000 0.631 374 A CB -0.336 18.653 19.000 -0.018 0.000 0.814 374 A HN 0.301 nan 8.150 nan 0.000 0.446 375 M N -0.442 119.125 119.600 -0.056 0.000 2.549 375 M HA -0.035 4.259 4.480 -0.310 0.000 0.260 375 M C 1.701 177.877 176.300 -0.207 0.000 1.076 375 M CA 0.956 56.201 55.300 -0.092 0.000 1.090 375 M CB -0.694 31.860 32.600 -0.076 0.000 1.418 375 M HN 0.273 nan 8.290 nan 0.000 0.486 376 V N -1.971 117.752 119.914 -0.318 0.000 3.085 376 V HA -0.041 3.893 4.120 -0.310 0.000 0.245 376 V C 1.313 177.122 176.094 -0.475 0.000 1.114 376 V CA 0.769 62.775 62.300 -0.491 0.000 1.108 376 V CB -0.250 31.128 31.823 -0.741 0.000 0.798 376 V HN 0.178 nan 8.190 nan 0.000 0.471 377 F N -0.045 119.885 119.950 -0.034 0.000 2.695 377 F HA 0.334 4.676 4.527 -0.309 0.000 0.303 377 F C 1.245 176.998 175.800 -0.078 0.000 1.091 377 F CA -0.536 57.403 58.000 -0.100 0.000 1.300 377 F CB -0.290 38.648 39.000 -0.104 0.000 1.071 377 F HN -0.089 nan 8.300 nan 0.000 0.578 378 S N 0.601 116.366 115.700 0.108 0.000 2.505 378 S HA 0.097 4.381 4.470 -0.310 0.000 0.276 378 S C 1.431 176.123 174.600 0.152 0.000 1.274 378 S CA 0.028 58.278 58.200 0.084 0.000 1.053 378 S CB 0.766 64.002 63.200 0.060 0.000 0.919 378 S HN 0.424 nan 8.310 nan 0.000 0.490 379 T N -0.191 114.408 114.554 0.075 0.000 3.098 379 T HA -0.101 4.063 4.350 -0.310 0.000 0.266 379 T C 0.862 175.734 174.700 0.286 0.000 1.145 379 T CA 0.753 62.942 62.100 0.149 0.000 1.092 379 T CB -0.420 68.440 68.868 -0.014 0.000 0.908 379 T HN 0.700 nan 8.240 nan 0.000 0.526 380 N N 0.523 119.334 118.700 0.185 0.000 2.365 380 N HA 0.125 4.679 4.740 -0.310 0.000 0.257 380 N C -0.294 175.289 175.510 0.121 0.000 1.287 380 N CA -0.375 52.762 53.050 0.144 0.000 0.882 380 N CB 0.405 38.946 38.487 0.091 0.000 1.250 380 N HN 0.268 nan 8.380 nan 0.000 0.507 381 S N -0.254 115.539 115.700 0.155 0.000 2.576 381 S HA 0.481 4.765 4.470 -0.310 0.000 0.276 381 S C 1.531 176.138 174.600 0.013 0.000 1.339 381 S CA 0.124 58.358 58.200 0.058 0.000 1.039 381 S CB 1.015 64.213 63.200 -0.004 0.000 0.902 381 S HN 0.395 nan 8.310 nan 0.000 0.516 382 A N 4.578 127.386 122.820 -0.020 0.000 1.948 382 A HA -0.056 4.078 4.320 -0.310 0.000 0.220 382 A C 2.072 179.604 177.584 -0.087 0.000 1.177 382 A CA 1.621 53.636 52.037 -0.036 0.000 0.636 382 A CB -0.948 18.026 19.000 -0.044 0.000 0.815 382 A HN 0.904 nan 8.150 nan 0.000 0.449 383 L N -1.391 119.726 121.223 -0.177 0.000 2.353 383 L HA -0.166 3.988 4.340 -0.310 0.000 0.220 383 L C 2.114 178.818 176.870 -0.277 0.000 1.133 383 L CA 0.924 55.599 54.840 -0.276 0.000 0.798 383 L CB -0.559 41.255 42.059 -0.409 0.000 0.922 383 L HN 0.502 nan 8.230 nan 0.000 0.445 384 H N -1.030 118.015 119.070 -0.042 0.000 2.681 384 H HA 0.255 4.622 4.556 -0.314 0.000 0.268 384 H C 0.961 176.208 175.328 -0.134 0.000 0.967 384 H CA -0.118 55.879 56.048 -0.086 0.000 1.233 384 H CB 0.372 30.097 29.762 -0.061 0.000 1.445 384 H HN 0.186 nan 8.280 nan 0.000 0.494 385 L N 3.275 124.520 121.223 0.037 0.000 2.451 385 L HA 0.048 4.202 4.340 -0.310 0.000 0.272 385 L C 0.898 177.778 176.870 0.016 0.000 1.258 385 L CA 0.165 55.016 54.840 0.018 0.000 1.132 385 L CB -0.209 41.881 42.059 0.052 0.000 1.361 385 L HN 0.198 nan 8.230 nan 0.000 0.438 386 T N -3.736 110.818 114.554 -0.001 0.000 3.044 386 T HA 0.257 4.421 4.350 -0.310 0.000 0.260 386 T C 0.570 175.299 174.700 0.048 0.000 1.019 386 T CA -0.355 61.759 62.100 0.023 0.000 0.921 386 T CB 0.616 69.495 68.868 0.019 0.000 1.053 386 T HN 0.212 nan 8.240 nan 0.000 0.533 387 E N 1.626 121.846 120.200 0.035 0.000 2.320 387 E HA 0.615 4.779 4.350 -0.310 0.000 0.264 387 E C -0.717 175.958 176.600 0.126 0.000 0.923 387 E CA -0.852 55.609 56.400 0.101 0.000 0.796 387 E CB 2.698 32.408 29.700 0.017 0.000 1.262 387 E HN 0.252 nan 8.360 nan 0.000 0.428 388 V N -1.301 118.730 119.914 0.195 0.000 2.628 388 V HA 0.686 4.619 4.120 -0.310 0.000 0.306 388 V C -0.543 175.607 176.094 0.093 0.000 1.045 388 V CA -0.797 61.566 62.300 0.106 0.000 0.905 388 V CB 1.969 33.841 31.823 0.082 0.000 0.997 388 V HN 0.485 nan 8.190 nan 0.000 0.436 389 D N 1.689 121.973 120.400 -0.194 0.000 2.481 389 D HA 0.405 4.859 4.640 -0.310 0.000 0.244 389 D C -1.487 174.574 176.300 -0.399 0.000 1.057 389 D CA -0.189 53.657 54.000 -0.256 0.000 0.848 389 D CB 2.311 42.932 40.800 -0.297 0.000 1.388 389 D HN 0.800 nan 8.370 nan 0.000 0.475 390 D N 2.009 122.349 120.400 -0.100 0.000 2.373 390 D HA 0.412 4.866 4.640 -0.310 0.000 0.227 390 D C -0.100 176.152 176.300 -0.080 0.000 1.091 390 D CA -0.472 53.492 54.000 -0.061 0.000 0.840 390 D CB 1.520 42.390 40.800 0.116 0.000 1.060 390 D HN 0.359 nan 8.370 nan 0.000 0.502 391 A N 2.857 125.638 122.820 -0.064 0.000 2.275 391 A HA 0.545 4.679 4.320 -0.310 0.000 0.212 391 A C 1.116 178.693 177.584 -0.013 0.000 1.201 391 A CA 0.583 52.674 52.037 0.090 0.000 0.843 391 A CB -0.470 18.724 19.000 0.324 0.000 0.873 391 A HN 0.890 nan 8.150 nan 0.000 0.492 392 G N -0.070 108.654 108.800 -0.127 0.000 2.787 392 G HA2 -0.095 3.679 3.960 -0.310 0.000 0.685 392 G HA3 -0.095 3.679 3.960 -0.310 0.000 0.685 392 G C -2.711 172.072 174.900 -0.196 0.000 1.437 392 G CA -0.419 44.607 45.100 -0.123 0.000 0.872 392 G HN 0.319 nan 8.290 nan 0.000 0.566 393 P HA 0.508 nan 4.420 nan 0.000 0.273 393 P C 0.438 177.601 177.300 -0.229 0.000 1.250 393 P CA 0.569 63.437 63.100 -0.387 0.000 0.793 393 P CB 0.704 32.096 31.700 -0.513 0.000 1.011 400 S N -0.745 115.027 115.700 0.120 0.000 2.632 400 S HA 0.281 4.565 4.470 -0.310 0.000 0.237 400 S C 0.359 174.995 174.600 0.060 0.000 1.037 400 S CA -0.625 57.651 58.200 0.127 0.000 1.009 400 S CB 0.396 63.653 63.200 0.095 0.000 0.974 400 S HN 0.159 nan 8.310 nan 0.000 0.544 401 K N 3.621 124.021 120.400 -0.000 0.000 2.527 401 K HA 0.136 4.270 4.320 -0.310 0.000 0.278 401 K C -2.418 174.094 176.600 -0.146 0.000 0.981 401 K CA -0.965 55.295 56.287 -0.045 0.000 1.009 401 K CB -0.311 32.169 32.500 -0.033 0.000 0.895 401 K HN 0.290 nan 8.250 nan 0.000 0.493 402 P HA -0.101 nan 4.420 nan 0.000 0.259 402 P C -0.784 176.217 177.300 -0.498 0.000 1.163 402 P CA 0.496 63.357 63.100 -0.398 0.000 0.760 402 P CB 0.430 32.012 31.700 -0.197 0.000 0.762 403 S N 2.465 117.702 115.700 -0.772 0.000 2.359 403 S HA 0.261 4.545 4.470 -0.310 0.000 0.148 403 S C 0.474 174.749 174.600 -0.541 0.000 1.610 403 S CA -0.353 57.487 58.200 -0.601 0.000 1.274 403 S CB -0.572 62.136 63.200 -0.820 0.000 1.380 403 S HN 0.276 nan 8.310 nan 0.000 0.380 404 F N 0.144 119.901 119.950 -0.321 0.000 2.771 404 F HA 0.103 4.443 4.527 -0.311 0.000 0.299 404 F C 0.746 176.241 175.800 -0.509 0.000 1.177 404 F CA 0.433 58.166 58.000 -0.445 0.000 1.450 404 F CB -0.448 38.166 39.000 -0.643 0.000 1.114 404 F HN 0.477 nan 8.300 nan 0.000 0.587 405 Y N -1.357 119.030 120.300 0.144 0.000 2.641 405 Y HA 0.285 4.649 4.550 -0.311 0.000 0.248 405 Y C 1.930 177.931 175.900 0.168 0.000 1.170 405 Y CA -1.020 57.169 58.100 0.148 0.000 1.201 405 Y CB -0.484 38.022 38.460 0.076 0.000 1.232 405 Y HN -0.073 nan 8.280 nan 0.000 0.537 406 R N 0.231 120.778 120.500 0.078 0.000 2.070 406 R HA -0.055 4.099 4.340 -0.310 0.000 0.233 406 R C -0.440 175.777 176.300 -0.139 0.000 1.137 406 R CA 1.268 57.272 56.100 -0.159 0.000 0.945 406 R CB -0.074 29.878 30.300 -0.580 0.000 0.845 406 R HN 0.053 nan 8.270 nan 0.000 0.430 407 F N 0.601 120.660 119.950 0.181 0.000 2.421 407 F HA 0.386 4.727 4.527 -0.309 0.000 0.337 407 F C -0.439 175.472 175.800 0.186 0.000 1.105 407 F CA -0.889 57.134 58.000 0.037 0.000 1.049 407 F CB 1.468 40.491 39.000 0.038 0.000 1.139 407 F HN 0.041 nan 8.300 nan 0.000 0.479 408 F N -0.035 120.097 119.950 0.302 0.000 2.719 408 F HA 0.606 4.947 4.527 -0.310 0.000 0.309 408 F C -1.919 173.986 175.800 0.175 0.000 1.138 408 F CA -1.749 56.377 58.000 0.211 0.000 0.943 408 F CB 0.612 39.720 39.000 0.179 0.000 1.304 408 F HN 0.211 nan 8.300 nan 0.000 0.445 409 L N 3.235 124.669 121.223 0.352 0.000 2.426 409 L HA 0.641 4.795 4.340 -0.310 0.000 0.271 409 L C 0.101 177.145 176.870 0.290 0.000 1.169 409 L CA -0.771 54.208 54.840 0.232 0.000 0.836 409 L CB 1.041 43.201 42.059 0.170 0.000 1.112 409 L HN 0.714 nan 8.230 nan 0.000 0.465 410 V N 0.886 120.897 119.914 0.162 0.000 3.102 410 V HA 0.670 4.604 4.120 -0.310 0.000 0.312 410 V C -2.648 173.427 176.094 -0.032 0.000 1.135 410 V CA -2.314 60.058 62.300 0.120 0.000 1.022 410 V CB 1.835 33.730 31.823 0.122 0.000 1.056 410 V HN 0.552 nan 8.190 nan 0.000 0.436 411 P HA 0.358 nan 4.420 nan 0.000 0.271 411 P C 0.236 177.327 177.300 -0.348 0.000 1.216 411 P CA 0.413 63.270 63.100 -0.406 0.000 0.776 411 P CB 1.443 32.591 31.700 -0.920 0.000 0.881 412 G N 1.170 109.798 108.800 -0.288 0.000 4.530 412 G HA2 0.037 3.811 3.960 -0.310 0.000 0.284 412 G HA3 0.037 3.811 3.960 -0.310 0.000 0.284 412 G C 0.867 175.721 174.900 -0.077 0.000 1.008 412 G CA 0.048 45.032 45.100 -0.194 0.000 0.770 412 G HN 0.372 nan 8.290 nan 0.000 0.424 413 T N 1.055 115.572 114.554 -0.062 0.000 2.867 413 T HA -0.096 4.068 4.350 -0.310 0.000 0.268 413 T C 2.145 176.971 174.700 0.210 0.000 1.057 413 T CA 1.503 63.652 62.100 0.080 0.000 1.136 413 T CB -0.235 68.764 68.868 0.219 0.000 0.874 413 T HN 0.614 nan 8.240 nan 0.000 0.466 414 H N 0.030 119.103 119.070 0.006 0.000 2.547 414 H HA 0.263 4.633 4.556 -0.311 0.000 0.266 414 H C 1.336 176.740 175.328 0.127 0.000 0.988 414 H CA 0.147 56.269 56.048 0.123 0.000 1.147 414 H CB -0.535 29.349 29.762 0.203 0.000 1.365 414 H HN 0.263 nan 8.280 nan 0.000 0.589 415 V N 0.121 119.901 119.914 -0.223 0.000 3.477 415 V HA 0.295 4.229 4.120 -0.310 0.000 0.297 415 V C 2.339 178.469 176.094 0.061 0.000 1.433 415 V CA 0.525 62.710 62.300 -0.191 0.000 1.052 415 V CB 0.237 31.781 31.823 -0.465 0.000 0.895 415 V HN 0.510 nan 8.190 nan 0.000 0.438 416 A N 0.632 123.533 122.820 0.135 0.000 2.272 416 A HA 0.049 4.183 4.320 -0.310 0.000 0.213 416 A C 2.079 179.947 177.584 0.472 0.000 1.183 416 A CA 1.772 53.965 52.037 0.260 0.000 0.719 416 A CB -0.215 18.826 19.000 0.067 0.000 0.771 416 A HN 0.601 nan 8.150 nan 0.000 0.484 417 A N -0.676 122.364 122.820 0.366 0.000 2.169 417 A HA 0.212 4.346 4.320 -0.310 0.000 0.210 417 A C 0.873 178.592 177.584 0.226 0.000 1.168 417 A CA -0.133 52.035 52.037 0.219 0.000 0.813 417 A CB -0.161 18.886 19.000 0.080 0.000 0.861 417 A HN 0.486 nan 8.150 nan 0.000 0.481 418 N N 0.999 119.826 118.700 0.213 0.000 2.237 418 N HA 0.216 4.770 4.740 -0.310 0.000 0.222 418 N C -2.737 172.922 175.510 0.249 0.000 1.311 418 N CA -0.821 52.351 53.050 0.203 0.000 0.880 418 N CB -0.237 38.362 38.487 0.186 0.000 1.106 418 N HN 0.104 nan 8.380 nan 0.000 0.435 419 P HA 0.098 nan 4.420 nan 0.000 0.272 419 P C -0.745 176.497 177.300 -0.098 0.000 1.223 419 P CA -0.047 63.181 63.100 0.213 0.000 0.784 419 P CB 0.545 32.346 31.700 0.168 0.000 0.923 420 Q N 1.131 120.534 119.800 -0.661 0.000 2.278 420 Q HA 0.424 4.578 4.340 -0.310 0.000 0.257 420 Q C -0.446 175.312 176.000 -0.403 0.000 0.928 420 Q CA -0.459 54.901 55.803 -0.738 0.000 0.932 420 Q CB 1.571 29.462 28.738 -1.413 0.000 1.221 420 Q HN 0.182 nan 8.270 nan 0.000 0.434 421 V N 2.635 122.443 119.914 -0.176 0.000 2.881 421 V HA 0.294 4.228 4.120 -0.310 0.000 0.316 421 V C -0.319 175.783 176.094 0.014 0.000 1.070 421 V CA -0.595 61.664 62.300 -0.069 0.000 0.976 421 V CB 2.291 34.074 31.823 -0.067 0.000 1.038 421 V HN 0.879 nan 8.190 nan 0.000 0.446 422 D N 2.410 122.822 120.400 0.021 0.000 2.506 422 D HA 0.235 4.689 4.640 -0.310 0.000 0.272 422 D C 1.175 177.473 176.300 -0.003 0.000 1.214 422 D CA -0.513 53.535 54.000 0.080 0.000 1.067 422 D CB 0.432 41.273 40.800 0.069 0.000 1.117 422 D HN 0.346 nan 8.370 nan 0.000 0.578 423 R N -0.490 120.020 120.500 0.017 0.000 2.159 423 R HA -0.238 3.916 4.340 -0.310 0.000 0.252 423 R C 1.032 177.195 176.300 -0.229 0.000 1.144 423 R CA 2.036 58.031 56.100 -0.176 0.000 0.961 423 R CB -0.159 30.131 30.300 -0.016 0.000 0.877 423 R HN 0.596 nan 8.270 nan 0.000 0.444 424 E N -1.382 118.747 120.200 -0.119 0.000 2.403 424 E HA 0.133 4.297 4.350 -0.310 0.000 0.188 424 E C 0.457 176.761 176.600 -0.494 0.000 1.056 424 E CA 0.330 56.616 56.400 -0.190 0.000 0.892 424 E CB 0.784 30.381 29.700 -0.171 0.000 1.049 424 E HN 0.613 nan 8.360 nan 0.000 0.465 425 G N 2.118 110.692 108.800 -0.377 0.000 2.147 425 G HA2 -0.237 3.537 3.960 -0.310 0.000 0.244 425 G HA3 -0.237 3.537 3.960 -0.310 0.000 0.244 425 G C -0.222 174.507 174.900 -0.287 0.000 1.005 425 G CA -0.132 44.771 45.100 -0.327 0.000 0.713 425 G HN 0.363 nan 8.290 nan 0.000 0.515 426 H N -0.681 118.377 119.070 -0.020 0.000 2.472 426 H HA 0.527 4.896 4.556 -0.311 0.000 0.338 426 H C 0.720 176.043 175.328 -0.008 0.000 1.133 426 H CA -0.718 55.326 56.048 -0.007 0.000 1.216 426 H CB 1.622 31.387 29.762 0.004 0.000 1.497 426 H HN 0.083 nan 8.280 nan 0.000 0.500 427 V N 3.236 123.228 119.914 0.131 0.000 3.032 427 V HA -0.092 3.842 4.120 -0.310 0.000 0.307 427 V C 1.383 177.528 176.094 0.086 0.000 1.097 427 V CA 0.187 62.534 62.300 0.078 0.000 1.191 427 V CB 0.620 32.506 31.823 0.105 0.000 0.964 427 V HN 0.573 nan 8.190 nan 0.000 0.494 428 V N 4.061 124.012 119.914 0.061 0.000 2.504 428 V HA 0.148 4.082 4.120 -0.310 0.000 0.215 428 V C -0.539 175.647 176.094 0.154 0.000 1.123 428 V CA 1.136 63.490 62.300 0.090 0.000 1.143 428 V CB -1.050 30.789 31.823 0.027 0.000 0.743 428 V HN 0.956 nan 8.190 nan 0.000 0.494 429 P HA 0.212 nan 4.420 nan 0.000 0.407 429 P C 1.325 178.723 177.300 0.163 0.000 0.753 429 P CA 1.066 64.268 63.100 0.170 0.000 1.909 429 P CB 0.019 31.796 31.700 0.130 0.000 0.985 430 G N -0.704 108.166 108.800 0.118 0.000 2.990 430 G HA2 -0.040 3.734 3.960 -0.310 0.000 0.206 430 G HA3 -0.040 3.734 3.960 -0.310 0.000 0.206 430 G C 0.408 175.188 174.900 -0.201 0.000 1.169 430 G CA 0.092 45.152 45.100 -0.067 0.000 0.819 430 G HN 0.122 nan 8.290 nan 0.000 0.517 431 F N 0.744 120.709 119.950 0.024 0.000 2.746 431 F HA 0.173 4.507 4.527 -0.322 0.000 0.297 431 F C 1.571 177.393 175.800 0.036 0.000 1.113 431 F CA -0.625 57.395 58.000 0.033 0.000 1.367 431 F CB 0.227 39.248 39.000 0.035 0.000 1.111 431 F HN 0.169 nan 8.300 nan 0.000 0.590 432 E N 0.809 121.110 120.200 0.168 0.000 2.442 432 E HA 0.206 4.370 4.350 -0.310 0.000 0.262 432 E C 1.206 177.851 176.600 0.075 0.000 1.004 432 E CA 1.076 57.542 56.400 0.112 0.000 0.928 432 E CB 0.758 30.504 29.700 0.077 0.000 0.937 432 E HN 0.399 nan 8.360 nan 0.000 0.446 433 G N 4.186 113.030 108.800 0.073 0.000 2.527 433 G HA2 -0.309 3.464 3.960 -0.310 0.000 0.218 433 G HA3 -0.309 3.464 3.960 -0.310 0.000 0.218 433 G C 0.314 175.255 174.900 0.069 0.000 1.177 433 G CA 0.102 45.235 45.100 0.056 0.000 0.695 433 G HN 0.604 nan 8.290 nan 0.000 0.517 434 R N 2.498 123.049 120.500 0.085 0.000 2.566 434 R HA 0.274 4.428 4.340 -0.310 0.000 0.273 434 R C -1.961 174.409 176.300 0.116 0.000 0.981 434 R CA 0.103 56.267 56.100 0.106 0.000 1.091 434 R CB 0.032 30.422 30.300 0.150 0.000 0.924 434 R HN 0.370 nan 8.270 nan 0.000 0.411 435 P HA 0.018 nan 4.420 nan 0.000 0.279 435 P C -0.547 176.827 177.300 0.123 0.000 1.239 435 P CA -0.306 62.859 63.100 0.107 0.000 0.789 435 P CB 1.301 33.062 31.700 0.101 0.000 0.933 436 T N 0.393 115.015 114.554 0.113 0.000 2.832 436 T HA 0.568 4.731 4.350 -0.310 0.000 0.313 436 T C 0.239 175.006 174.700 0.111 0.000 1.035 436 T CA -0.652 61.520 62.100 0.121 0.000 0.950 436 T CB -0.308 68.630 68.868 0.118 0.000 0.984 436 T HN 0.479 nan 8.240 nan 0.000 0.486 437 A N 6.873 129.756 122.820 0.105 0.000 2.445 437 A HA 0.587 4.721 4.320 -0.310 0.000 0.242 437 A C -1.934 175.689 177.584 0.066 0.000 1.075 437 A CA -1.334 50.755 52.037 0.086 0.000 0.777 437 A CB -0.169 18.878 19.000 0.077 0.000 1.013 437 A HN 0.795 nan 8.150 nan 0.000 0.493 438 P HA 0.117 nan 4.420 nan 0.000 0.279 438 P C 0.582 177.923 177.300 0.069 0.000 1.239 438 P CA -0.436 62.722 63.100 0.096 0.000 0.789 438 P CB 1.036 32.803 31.700 0.112 0.000 0.933 439 L N 3.628 124.888 121.223 0.062 0.000 2.201 439 L HA 0.004 4.158 4.340 -0.310 0.000 0.212 439 L C 0.328 177.368 176.870 0.284 0.000 1.105 439 L CA 1.611 56.475 54.840 0.039 0.000 0.775 439 L CB 0.006 42.046 42.059 -0.032 0.000 0.913 439 L HN 0.119 nan 8.230 nan 0.000 0.440 440 V N -0.228 119.808 119.914 0.203 0.000 2.656 440 V HA 0.779 4.713 4.120 -0.310 0.000 0.307 440 V C 0.488 176.667 176.094 0.143 0.000 1.051 440 V CA -0.420 61.982 62.300 0.170 0.000 0.893 440 V CB 0.839 32.735 31.823 0.121 0.000 0.999 440 V HN 0.540 nan 8.190 nan 0.000 0.426 441 G N 3.173 112.042 108.800 0.114 0.000 2.645 441 G HA2 0.403 4.177 3.960 -0.310 0.000 0.239 441 G HA3 0.403 4.177 3.960 -0.310 0.000 0.239 441 G C 0.463 175.432 174.900 0.115 0.000 1.331 441 G CA -0.159 44.993 45.100 0.086 0.000 0.890 441 G HN 2.636 nan 8.290 nan 0.000 0.572 442 G N -3.220 105.633 108.800 0.088 0.000 2.746 442 G HA2 0.452 4.226 3.960 -0.310 0.000 0.685 442 G HA3 0.452 4.226 3.960 -0.310 0.000 0.685 442 G C 0.299 175.251 174.900 0.087 0.000 1.350 442 G CA 0.659 45.817 45.100 0.097 0.000 0.837 442 G HN 2.829 nan 8.290 nan 0.000 0.564 443 T N -0.798 113.807 114.554 0.086 0.000 2.875 443 T HA 0.593 4.757 4.350 -0.310 0.000 0.307 443 T C 0.406 175.170 174.700 0.106 0.000 1.013 443 T CA -0.164 61.982 62.100 0.076 0.000 0.970 443 T CB 0.852 69.759 68.868 0.065 0.000 0.986 443 T HN 0.711 nan 8.240 nan 0.000 0.536 444 Q N 2.064 121.927 119.800 0.105 0.000 2.354 444 Q HA 0.332 4.486 4.340 -0.310 0.000 0.244 444 Q C 0.003 176.087 176.000 0.140 0.000 0.969 444 Q CA -0.382 55.505 55.803 0.141 0.000 0.885 444 Q CB 1.086 29.894 28.738 0.117 0.000 1.241 444 Q HN 0.776 nan 8.270 nan 0.000 0.461 445 E N 1.772 122.074 120.200 0.169 0.000 2.199 445 E HA 0.273 4.437 4.350 -0.310 0.000 0.265 445 E C -1.725 174.948 176.600 0.122 0.000 0.882 445 E CA -0.624 55.899 56.400 0.206 0.000 0.759 445 E CB 0.837 30.697 29.700 0.267 0.000 1.148 445 E HN 0.502 nan 8.360 nan 0.000 0.412 446 F N 4.667 124.647 119.950 0.051 0.000 2.363 446 F HA 0.570 4.915 4.527 -0.303 0.000 0.366 446 F C -0.715 175.176 175.800 0.152 0.000 1.083 446 F CA -0.496 57.457 58.000 -0.078 0.000 1.176 446 F CB 0.396 39.252 39.000 -0.241 0.000 1.432 446 F HN 0.546 nan 8.300 nan 0.000 0.482 447 A N 2.517 125.474 122.820 0.229 0.000 2.263 447 A HA 0.610 4.743 4.320 -0.310 0.000 0.318 447 A C 1.492 179.037 177.584 -0.064 0.000 1.111 447 A CA -0.139 51.970 52.037 0.120 0.000 0.901 447 A CB 0.074 19.206 19.000 0.219 0.000 1.280 447 A HN 0.820 nan 8.150 nan 0.000 0.503 448 G N -0.663 108.136 108.800 -0.002 0.000 2.469 448 G HA2 -0.226 3.548 3.960 -0.310 0.000 0.220 448 G HA3 -0.226 3.548 3.960 -0.310 0.000 0.220 448 G C 1.047 175.942 174.900 -0.008 0.000 1.136 448 G CA 1.369 46.463 45.100 -0.011 0.000 0.759 448 G HN 0.838 nan 8.290 nan 0.000 0.562 449 E N -0.097 120.106 120.200 0.005 0.000 2.070 449 E HA -0.193 3.970 4.350 -0.310 0.000 0.197 449 E C 2.241 178.905 176.600 0.108 0.000 1.004 449 E CA 1.225 57.669 56.400 0.073 0.000 0.805 449 E CB -0.273 29.436 29.700 0.014 0.000 0.744 449 E HN 0.581 nan 8.360 nan 0.000 0.451 450 H N 0.201 119.360 119.070 0.147 0.000 2.321 450 H HA -0.110 4.269 4.556 -0.296 0.000 0.300 450 H C 2.380 177.608 175.328 -0.167 0.000 1.087 450 H CA 0.954 56.984 56.048 -0.030 0.000 1.319 450 H CB -0.415 29.252 29.762 -0.159 0.000 1.379 450 H HN 0.103 nan 8.280 nan 0.000 0.501 451 L N 1.280 122.397 121.223 -0.177 0.000 2.043 451 L HA -0.139 4.015 4.340 -0.310 0.000 0.212 451 L C 2.586 179.406 176.870 -0.083 0.000 1.075 451 L CA 1.743 56.520 54.840 -0.105 0.000 0.752 451 L CB -0.791 41.206 42.059 -0.104 0.000 0.891 451 L HN 0.211 nan 8.230 nan 0.000 0.432 452 A N -1.162 121.623 122.820 -0.059 0.000 1.972 452 A HA -0.250 3.884 4.320 -0.310 0.000 0.219 452 A C 2.379 179.746 177.584 -0.361 0.000 1.169 452 A CA 1.920 53.916 52.037 -0.068 0.000 0.635 452 A CB -0.621 18.442 19.000 0.104 0.000 0.810 452 A HN 0.589 nan 8.150 nan 0.000 0.446 453 M N -0.363 118.931 119.600 -0.509 0.000 2.156 453 M HA -0.030 4.264 4.480 -0.310 0.000 0.264 453 M C 1.668 177.525 176.300 -0.739 0.000 1.067 453 M CA 1.450 56.048 55.300 -1.171 0.000 1.131 453 M CB -0.273 31.799 32.600 -0.880 0.000 1.368 453 M HN 0.384 nan 8.290 nan 0.000 0.416 454 L N 0.112 121.110 121.223 -0.374 0.000 2.187 454 L HA -0.135 4.019 4.340 -0.310 0.000 0.213 454 L C 1.541 178.250 176.870 -0.269 0.000 1.100 454 L CA 1.239 55.921 54.840 -0.263 0.000 0.765 454 L CB -0.877 41.093 42.059 -0.149 0.000 0.904 454 L HN 0.463 nan 8.230 nan 0.000 0.437 455 S N -0.640 114.897 115.700 -0.272 0.000 2.519 455 S HA 0.373 4.657 4.470 -0.310 0.000 0.245 455 S C 1.235 175.701 174.600 -0.224 0.000 1.152 455 S CA 0.007 58.088 58.200 -0.197 0.000 1.175 455 S CB 0.305 63.440 63.200 -0.109 0.000 0.829 455 S HN 0.473 nan 8.310 nan 0.000 0.472 456 G N 1.099 109.691 108.800 -0.346 0.000 2.296 456 G HA2 -0.339 3.435 3.960 -0.310 0.000 0.282 456 G HA3 -0.339 3.435 3.960 -0.310 0.000 0.282 456 G C 0.257 175.057 174.900 -0.167 0.000 1.014 456 G CA 0.017 44.935 45.100 -0.303 0.000 0.812 456 G HN 0.918 nan 8.290 nan 0.000 0.508 457 F N -1.385 118.513 119.950 -0.087 0.000 3.091 457 F HA -0.184 4.488 4.527 0.241 0.000 0.288 457 F C 1.097 176.906 175.800 0.015 0.000 0.907 457 F CA 0.996 58.978 58.000 -0.029 0.000 1.028 457 F CB -1.987 36.991 39.000 -0.037 0.000 1.022 457 F HN 0.646 nan 8.300 nan 0.000 0.665 458 S N 1.371 117.132 115.700 0.101 0.000 2.438 458 S HA 0.503 4.787 4.470 -0.310 0.000 0.316 458 S C -0.671 173.980 174.600 0.086 0.000 1.084 458 S CA -1.313 56.947 58.200 0.100 0.000 1.107 458 S CB 1.472 64.712 63.200 0.065 0.000 0.981 458 S HN -0.019 nan 8.310 nan 0.000 0.466 459 P HA -0.025 nan 4.420 nan 0.000 0.219 459 P C 1.348 178.693 177.300 0.075 0.000 1.150 459 P CA 1.012 64.164 63.100 0.088 0.000 0.814 459 P CB 0.015 31.770 31.700 0.091 0.000 0.787 460 A N 0.550 123.417 122.820 0.079 0.000 1.883 460 A HA -0.147 3.987 4.320 -0.310 0.000 0.217 460 A C 2.457 180.076 177.584 0.058 0.000 1.186 460 A CA 1.515 53.595 52.037 0.072 0.000 0.624 460 A CB -1.583 17.471 19.000 0.089 0.000 0.822 460 A HN 0.126 nan 8.150 nan 0.000 0.444 461 L N -1.192 120.064 121.223 0.055 0.000 2.072 461 L HA -0.103 4.051 4.340 -0.310 0.000 0.205 461 L C 2.517 179.409 176.870 0.037 0.000 1.079 461 L CA 0.905 55.767 54.840 0.036 0.000 0.752 461 L CB -0.524 41.546 42.059 0.018 0.000 0.906 461 L HN 0.460 nan 8.230 nan 0.000 0.436 462 L N 0.668 121.913 121.223 0.037 0.000 2.081 462 L HA -0.218 3.936 4.340 -0.310 0.000 0.212 462 L C 2.615 179.529 176.870 0.072 0.000 1.080 462 L CA 2.051 56.916 54.840 0.042 0.000 0.754 462 L CB -0.832 41.254 42.059 0.044 0.000 0.893 462 L HN 0.171 nan 8.230 nan 0.000 0.433 463 A N -0.785 122.079 122.820 0.074 0.000 1.865 463 A HA -0.242 3.892 4.320 -0.310 0.000 0.217 463 A C 2.353 180.003 177.584 0.111 0.000 1.191 463 A CA 1.948 54.038 52.037 0.089 0.000 0.623 463 A CB -0.653 18.391 19.000 0.073 0.000 0.826 463 A HN 0.370 nan 8.150 nan 0.000 0.444 464 K N -1.053 119.391 120.400 0.073 0.000 2.209 464 K HA -0.099 4.035 4.320 -0.310 0.000 0.204 464 K C 1.891 178.617 176.600 0.210 0.000 1.048 464 K CA 1.634 57.951 56.287 0.050 0.000 0.940 464 K CB -0.413 32.080 32.500 -0.011 0.000 0.729 464 K HN 0.548 nan 8.250 nan 0.000 0.451 465 M N 0.551 120.262 119.600 0.185 0.000 2.067 465 M HA -0.136 4.158 4.480 -0.310 0.000 0.260 465 M C 1.841 178.294 176.300 0.255 0.000 1.069 465 M CA 1.553 56.978 55.300 0.209 0.000 1.117 465 M CB -0.364 32.293 32.600 0.095 0.000 1.334 465 M HN 0.053 nan 8.290 nan 0.000 0.407 466 L N -0.915 120.429 121.223 0.200 0.000 2.046 466 L HA -0.187 3.967 4.340 -0.310 0.000 0.208 466 L C 2.398 179.413 176.870 0.241 0.000 1.077 466 L CA 1.342 56.299 54.840 0.195 0.000 0.747 466 L CB -1.073 41.076 42.059 0.150 0.000 0.896 466 L HN 0.394 nan 8.230 nan 0.000 0.432 467 F N 0.113 120.100 119.950 0.062 0.000 2.115 467 F HA -0.337 4.003 4.527 -0.312 0.000 0.300 467 F C 2.198 177.987 175.800 -0.017 0.000 1.092 467 F CA 1.737 59.726 58.000 -0.017 0.000 1.245 467 F CB -0.425 38.448 39.000 -0.212 0.000 0.995 467 F HN -0.029 nan 8.300 nan 0.000 0.481 468 Y N -0.710 119.864 120.300 0.456 0.000 2.231 468 Y HA -0.058 4.304 4.550 -0.313 0.000 0.294 468 Y C 2.226 178.226 175.900 0.168 0.000 1.120 468 Y CA 0.880 59.162 58.100 0.303 0.000 1.141 468 Y CB -0.985 37.634 38.460 0.265 0.000 1.022 468 Y HN 0.024 nan 8.280 nan 0.000 0.523 469 L N 0.577 121.995 121.223 0.324 0.000 2.079 469 L HA -0.228 3.926 4.340 -0.310 0.000 0.210 469 L C 1.973 178.964 176.870 0.202 0.000 1.081 469 L CA 1.725 56.712 54.840 0.245 0.000 0.752 469 L CB -0.839 41.348 42.059 0.213 0.000 0.896 469 L HN 0.266 nan 8.230 nan 0.000 0.433 470 E N -1.177 119.121 120.200 0.164 0.000 2.268 470 E HA -0.136 4.028 4.350 -0.310 0.000 0.195 470 E C 1.348 178.026 176.600 0.130 0.000 0.995 470 E CA 0.369 56.833 56.400 0.108 0.000 0.836 470 E CB 0.119 29.909 29.700 0.151 0.000 0.763 470 E HN 0.295 nan 8.360 nan 0.000 0.491 471 R N -0.378 120.221 120.500 0.165 0.000 2.388 471 R HA 0.183 4.337 4.340 -0.310 0.000 0.247 471 R C 0.113 176.514 176.300 0.168 0.000 0.931 471 R CA 0.029 56.237 56.100 0.180 0.000 1.082 471 R CB -0.536 29.844 30.300 0.134 0.000 1.135 471 R HN 0.101 nan 8.270 nan 0.000 0.525 472 C N -0.008 119.396 119.300 0.173 0.000 2.451 472 C HA 0.414 4.688 4.460 -0.310 0.000 0.391 472 C C -0.020 175.055 174.990 0.142 0.000 1.286 472 C CA -0.536 58.600 59.018 0.196 0.000 1.935 472 C CB 1.351 29.252 27.740 0.267 0.000 2.188 472 C HN 0.591 nan 8.230 nan 0.000 0.523 473 D N -0.581 119.911 120.400 0.154 0.000 4.147 473 D HA -0.010 4.443 4.640 -0.310 0.000 0.239 473 D C -0.206 176.134 176.300 0.067 0.000 1.075 473 D CA 0.976 55.025 54.000 0.081 0.000 1.089 473 D CB -1.016 39.800 40.800 0.027 0.000 0.799 473 D HN 0.965 nan 8.370 nan 0.000 0.371 474 G N 1.961 110.819 108.800 0.097 0.000 3.818 474 G HA2 0.593 4.366 3.960 -0.310 0.000 0.338 474 G HA3 0.593 4.366 3.960 -0.310 0.000 0.338 474 G C 0.485 175.414 174.900 0.047 0.000 1.318 474 G CA 0.008 45.161 45.100 0.089 0.000 1.242 474 G HN 0.751 nan 8.290 nan 0.000 0.493 475 A N 1.761 124.587 122.820 0.009 0.000 2.541 475 A HA 0.366 4.500 4.320 -0.310 0.000 0.293 475 A C 1.165 178.744 177.584 -0.009 0.000 1.307 475 A CA -0.054 51.974 52.037 -0.016 0.000 0.978 475 A CB -0.177 18.801 19.000 -0.038 0.000 1.111 475 A HN 1.401 nan 8.150 nan 0.000 0.535 476 V N 0.673 120.583 119.914 -0.006 0.000 3.063 476 V HA 0.452 4.386 4.120 -0.310 0.000 0.379 476 V C 0.347 176.431 176.094 -0.016 0.000 1.310 476 V CA 0.351 62.650 62.300 -0.002 0.000 1.333 476 V CB -1.653 30.175 31.823 0.010 0.000 1.331 476 V HN 0.694 nan 8.190 nan 0.000 0.527 477 I N -1.965 118.589 120.570 -0.026 0.000 5.065 477 I HA 0.241 4.225 4.170 -0.310 0.000 0.319 477 I C 0.821 176.916 176.117 -0.037 0.000 1.139 477 I CA 0.222 61.503 61.300 -0.033 0.000 1.476 477 I CB 0.047 38.020 38.000 -0.045 0.000 1.787 477 I HN 0.061 nan 8.210 nan 0.000 0.549 484 D N 4.091 124.448 120.400 -0.073 0.000 2.393 484 D HA 0.294 4.748 4.640 -0.310 0.000 0.232 484 D C 0.834 177.095 176.300 -0.064 0.000 1.192 484 D CA -0.031 53.921 54.000 -0.081 0.000 0.882 484 D CB 1.258 42.055 40.800 -0.004 0.000 1.038 484 D HN 0.472 nan 8.370 nan 0.000 0.499 485 V N 4.803 124.588 119.914 -0.214 0.000 2.295 485 V HA -0.244 3.690 4.120 -0.310 0.000 0.246 485 V C 2.183 178.299 176.094 0.036 0.000 1.049 485 V CA 1.467 63.683 62.300 -0.140 0.000 1.024 485 V CB -0.813 30.808 31.823 -0.335 0.000 0.648 485 V HN 0.563 nan 8.190 nan 0.000 0.447 486 F N 0.061 120.024 119.950 0.021 0.000 2.069 486 F HA -0.206 4.135 4.527 -0.310 0.000 0.298 486 F C 2.830 178.646 175.800 0.027 0.000 1.113 486 F CA 1.800 59.801 58.000 0.002 0.000 1.214 486 F CB -0.386 38.604 39.000 -0.016 0.000 0.978 486 F HN -0.035 nan 8.300 nan 0.000 0.474 487 R N -0.213 120.423 120.500 0.226 0.000 2.083 487 R HA -0.250 3.904 4.340 -0.310 0.000 0.237 487 R C 2.325 178.713 176.300 0.147 0.000 1.137 487 R CA 1.874 58.067 56.100 0.155 0.000 0.951 487 R CB -0.795 29.577 30.300 0.120 0.000 0.851 487 R HN 0.325 nan 8.270 nan 0.000 0.434 488 Y N 1.103 121.442 120.300 0.064 0.000 2.053 488 Y HA -0.267 4.096 4.550 -0.311 0.000 0.277 488 Y C 2.051 178.017 175.900 0.110 0.000 1.159 488 Y CA 1.864 60.002 58.100 0.063 0.000 1.125 488 Y CB -0.715 37.757 38.460 0.019 0.000 0.969 488 Y HN -0.140 nan 8.280 nan 0.000 0.492 489 V N 0.870 120.691 119.914 -0.154 0.000 2.282 489 V HA -0.372 3.562 4.120 -0.310 0.000 0.249 489 V C 2.750 178.864 176.094 0.033 0.000 1.057 489 V CA 2.042 64.232 62.300 -0.184 0.000 1.032 489 V CB -1.863 29.921 31.823 -0.066 0.000 0.645 489 V HN 0.601 nan 8.190 nan 0.000 0.447 490 A N 0.229 123.118 122.820 0.114 0.000 1.851 490 A HA -0.236 3.898 4.320 -0.310 0.000 0.216 490 A C 1.733 179.388 177.584 0.118 0.000 1.195 490 A CA 1.966 54.131 52.037 0.214 0.000 0.622 490 A CB -0.705 18.377 19.000 0.136 0.000 0.831 490 A HN 0.568 nan 8.150 nan 0.000 0.444 491 D N 0.005 120.427 120.400 0.037 0.000 2.355 491 D HA 0.015 4.469 4.640 -0.310 0.000 0.253 491 D C 1.336 177.617 176.300 -0.032 0.000 1.187 491 D CA 1.030 55.035 54.000 0.008 0.000 0.900 491 D CB -0.061 40.758 40.800 0.032 0.000 0.915 491 D HN 0.585 nan 8.370 nan 0.000 0.516 492 S N -1.181 114.490 115.700 -0.048 0.000 2.604 492 S HA -0.013 4.271 4.470 -0.310 0.000 0.235 492 S C 0.705 175.306 174.600 0.002 0.000 1.043 492 S CA -0.564 57.595 58.200 -0.068 0.000 0.997 492 S CB 0.144 63.190 63.200 -0.258 0.000 0.956 492 S HN -0.075 nan 8.310 nan 0.000 0.535 493 N N 3.523 122.211 118.700 -0.019 0.000 2.417 493 N HA 0.056 4.610 4.740 -0.310 0.000 0.272 493 N C -0.225 175.181 175.510 -0.173 0.000 1.304 493 N CA 0.818 53.724 53.050 -0.240 0.000 0.906 493 N CB -0.380 37.583 38.487 -0.873 0.000 1.135 493 N HN 0.207 nan 8.380 nan 0.000 0.483 494 Q N 1.290 121.030 119.800 -0.100 0.000 2.452 494 Q HA -0.175 3.979 4.340 -0.310 0.000 0.318 494 Q C -0.359 175.616 176.000 -0.042 0.000 1.386 494 Q CA 1.149 56.913 55.803 -0.065 0.000 0.872 494 Q CB -2.573 26.109 28.738 -0.093 0.000 1.151 494 Q HN 0.714 nan 8.270 nan 0.000 0.417 495 T N -1.542 113.001 114.554 -0.018 0.000 3.200 495 T HA 0.110 4.274 4.350 -0.310 0.000 0.284 495 T C -0.129 174.581 174.700 0.016 0.000 1.009 495 T CA 0.183 62.282 62.100 -0.003 0.000 0.907 495 T CB 0.391 69.260 68.868 0.001 0.000 1.120 495 T HN 0.324 nan 8.240 nan 0.000 0.534 496 D N 1.750 122.159 120.400 0.015 0.000 4.161 496 D HA -0.155 4.299 4.640 -0.310 0.000 0.246 496 D C -0.472 175.849 176.300 0.035 0.000 1.064 496 D CA 0.158 54.170 54.000 0.020 0.000 1.187 496 D CB -1.067 39.744 40.800 0.017 0.000 0.871 496 D HN 0.231 nan 8.370 nan 0.000 0.413 497 V N 4.950 124.884 119.914 0.033 0.000 2.509 497 V HA 0.358 4.292 4.120 -0.310 0.000 0.284 497 V C -1.238 174.854 176.094 -0.004 0.000 1.047 497 V CA -1.027 61.298 62.300 0.041 0.000 0.952 497 V CB 1.539 33.386 31.823 0.039 0.000 0.988 497 V HN 0.339 nan 8.190 nan 0.000 0.469 498 P HA 0.230 nan 4.420 nan 0.000 0.237 498 P C -0.639 176.604 177.300 -0.095 0.000 1.723 498 P CA 0.187 63.278 63.100 -0.016 0.000 0.882 498 P CB -0.199 31.523 31.700 0.037 0.000 1.810 499 C N 1.976 121.191 119.300 -0.143 0.000 2.989 499 C HA 0.284 4.557 4.460 -0.310 0.000 0.397 499 C C -0.087 174.841 174.990 -0.104 0.000 1.022 499 C CA -0.733 58.176 59.018 -0.182 0.000 1.232 499 C CB 0.665 28.122 27.740 -0.471 0.000 1.638 499 C HN 0.440 nan 8.230 nan 0.000 0.534 500 N N 4.937 123.604 118.700 -0.055 0.000 2.376 500 N HA 0.141 4.695 4.740 -0.310 0.000 0.249 500 N C 0.330 175.836 175.510 -0.007 0.000 1.140 500 N CA -0.169 52.867 53.050 -0.025 0.000 0.870 500 N CB 0.082 38.558 38.487 -0.018 0.000 1.124 500 N HN 0.822 nan 8.380 nan 0.000 0.505 501 L N -0.562 120.657 121.223 -0.006 0.000 2.609 501 L HA 0.312 4.466 4.340 -0.310 0.000 0.230 501 L C 0.714 177.609 176.870 0.042 0.000 1.064 501 L CA -0.040 54.814 54.840 0.025 0.000 0.873 501 L CB 0.252 42.336 42.059 0.040 0.000 1.139 501 L HN 0.325 nan 8.230 nan 0.000 0.490 502 C N -3.596 115.728 119.300 0.040 0.000 3.028 502 C HA 0.872 5.146 4.460 -0.310 0.000 0.338 502 C C 0.183 175.217 174.990 0.074 0.000 1.366 502 C CA -0.643 58.419 59.018 0.073 0.000 1.610 502 C CB 1.734 29.549 27.740 0.125 0.000 2.063 502 C HN 0.093 nan 8.230 nan 0.000 0.463 503 T N -1.889 112.725 114.554 0.101 0.000 2.812 503 T HA 0.432 4.596 4.350 -0.310 0.000 0.294 503 T C 0.167 174.967 174.700 0.167 0.000 1.159 503 T CA -0.239 61.937 62.100 0.127 0.000 1.008 503 T CB 1.121 70.059 68.868 0.118 0.000 1.289 503 T HN 0.778 nan 8.240 nan 0.000 0.514 504 F N 1.703 121.683 119.950 0.049 0.000 2.087 504 F HA -0.096 4.245 4.527 -0.311 0.000 0.299 504 F C 1.633 177.481 175.800 0.080 0.000 1.100 504 F CA 2.367 60.394 58.000 0.044 0.000 1.226 504 F CB -0.276 38.732 39.000 0.014 0.000 0.983 504 F HN 0.674 nan 8.300 nan 0.000 0.479 505 D N -1.333 119.087 120.400 0.034 0.000 2.378 505 D HA -0.029 4.425 4.640 -0.310 0.000 0.227 505 D C 1.732 178.092 176.300 0.101 0.000 1.012 505 D CA 1.422 55.411 54.000 -0.019 0.000 0.905 505 D CB -0.049 40.797 40.800 0.076 0.000 0.895 505 D HN 0.479 nan 8.370 nan 0.000 0.532 506 T N -4.119 110.507 114.554 0.119 0.000 3.016 506 T HA 0.146 4.310 4.350 -0.310 0.000 0.271 506 T C 1.720 176.457 174.700 0.062 0.000 0.968 506 T CA -0.525 61.649 62.100 0.123 0.000 0.891 506 T CB 0.320 69.227 68.868 0.065 0.000 1.149 506 T HN -0.145 nan 8.240 nan 0.000 0.524 507 R N 2.090 122.667 120.500 0.128 0.000 2.153 507 R HA -0.188 3.966 4.340 -0.310 0.000 0.252 507 R C 2.335 178.703 176.300 0.112 0.000 1.158 507 R CA 2.096 58.295 56.100 0.165 0.000 0.975 507 R CB -0.937 29.452 30.300 0.149 0.000 0.871 507 R HN 0.783 nan 8.270 nan 0.000 0.450 508 H N -0.781 118.288 119.070 -0.002 0.000 2.422 508 H HA 0.012 4.383 4.556 -0.308 0.000 0.298 508 H C 1.334 176.649 175.328 -0.022 0.000 1.098 508 H CA 1.615 57.657 56.048 -0.009 0.000 1.315 508 H CB -0.206 29.547 29.762 -0.016 0.000 1.382 508 H HN 0.213 nan 8.280 nan 0.000 0.523 509 A N 0.640 123.150 122.820 -0.518 0.000 2.382 509 A HA 0.178 4.312 4.320 -0.310 0.000 0.228 509 A C 1.065 178.581 177.584 -0.113 0.000 1.217 509 A CA 0.124 51.974 52.037 -0.313 0.000 0.923 509 A CB -0.485 18.284 19.000 -0.385 0.000 0.979 509 A HN 0.485 nan 8.150 nan 0.000 0.515 510 C N 0.383 119.654 119.300 -0.049 0.000 2.657 510 C HA 0.252 4.526 4.460 -0.310 0.000 0.420 510 C C 2.202 177.235 174.990 0.073 0.000 1.323 510 C CA 0.219 59.282 59.018 0.074 0.000 1.894 510 C CB -0.456 27.430 27.740 0.243 0.000 2.681 510 C HN 0.498 nan 8.230 nan 0.000 0.613 511 V N 5.992 125.970 119.914 0.106 0.000 2.222 511 V HA -0.294 3.640 4.120 -0.310 0.000 0.252 511 V C 2.682 178.834 176.094 0.096 0.000 1.060 511 V CA 2.745 65.104 62.300 0.098 0.000 1.027 511 V CB -1.235 30.652 31.823 0.106 0.000 0.644 511 V HN 1.039 nan 8.190 nan 0.000 0.448 512 H N 0.462 119.568 119.070 0.061 0.000 2.400 512 H HA -0.232 4.137 4.556 -0.311 0.000 0.295 512 H C 1.995 177.350 175.328 0.045 0.000 1.118 512 H CA 2.518 58.606 56.048 0.066 0.000 1.256 512 H CB -0.937 28.871 29.762 0.076 0.000 1.365 512 H HN 0.472 nan 8.280 nan 0.000 0.502 513 T N 0.504 114.623 114.554 -0.725 0.000 2.770 513 T HA -0.091 4.073 4.350 -0.310 0.000 0.263 513 T C 2.095 176.646 174.700 -0.248 0.000 1.039 513 T CA 1.938 63.684 62.100 -0.591 0.000 1.142 513 T CB -0.548 68.127 68.868 -0.321 0.000 0.868 513 T HN 0.480 nan 8.240 nan 0.000 0.435 514 T N 2.587 117.071 114.554 -0.117 0.000 2.684 514 T HA 0.007 4.171 4.350 -0.310 0.000 0.267 514 T C 1.945 176.669 174.700 0.041 0.000 1.036 514 T CA 0.935 63.017 62.100 -0.031 0.000 1.148 514 T CB -0.470 68.414 68.868 0.027 0.000 0.863 514 T HN 0.226 nan 8.240 nan 0.000 0.436 515 L N 0.040 121.317 121.223 0.090 0.000 2.141 515 L HA -0.039 4.115 4.340 -0.310 0.000 0.209 515 L C 2.666 179.652 176.870 0.194 0.000 1.094 515 L CA 1.070 56.061 54.840 0.252 0.000 0.763 515 L CB -0.484 41.727 42.059 0.254 0.000 0.908 515 L HN 0.344 nan 8.230 nan 0.000 0.437 516 M N -0.773 118.816 119.600 -0.019 0.000 2.117 516 M HA -0.247 4.047 4.480 -0.310 0.000 0.262 516 M C 2.461 178.666 176.300 -0.159 0.000 1.065 516 M CA 1.653 56.869 55.300 -0.141 0.000 1.114 516 M CB -0.386 32.013 32.600 -0.335 0.000 1.361 516 M HN 0.158 nan 8.290 nan 0.000 0.408 517 R N 0.717 121.132 120.500 -0.141 0.000 2.152 517 R HA -0.111 4.043 4.340 -0.310 0.000 0.232 517 R C 1.238 177.480 176.300 -0.097 0.000 1.117 517 R CA 1.101 57.124 56.100 -0.129 0.000 0.981 517 R CB -0.075 30.154 30.300 -0.119 0.000 0.870 517 R HN 0.383 nan 8.270 nan 0.000 0.451 518 L N 0.435 121.642 121.223 -0.028 0.000 2.700 518 L HA 0.181 4.335 4.340 -0.310 0.000 0.234 518 L C 1.739 178.522 176.870 -0.144 0.000 1.156 518 L CA -0.394 54.421 54.840 -0.041 0.000 0.946 518 L CB 0.222 42.361 42.059 0.133 0.000 1.216 518 L HN 0.021 nan 8.230 nan 0.000 0.493 519 R N 2.149 122.464 120.500 -0.309 0.000 2.134 519 R HA -0.229 3.925 4.340 -0.310 0.000 0.248 519 R C 2.122 178.053 176.300 -0.615 0.000 1.143 519 R CA 2.231 57.848 56.100 -0.805 0.000 0.957 519 R CB -0.700 29.308 30.300 -0.488 0.000 0.867 519 R HN 0.333 nan 8.270 nan 0.000 0.441 520 A N 0.558 123.162 122.820 -0.359 0.000 1.978 520 A HA -0.136 3.998 4.320 -0.310 0.000 0.220 520 A C 2.112 179.512 177.584 -0.308 0.000 1.170 520 A CA 1.621 53.489 52.037 -0.282 0.000 0.636 520 A CB -0.448 18.422 19.000 -0.217 0.000 0.810 520 A HN 0.365 nan 8.150 nan 0.000 0.448 521 R N -0.586 119.661 120.500 -0.423 0.000 2.276 521 R HA 0.021 4.175 4.340 -0.310 0.000 0.203 521 R C -0.212 175.762 176.300 -0.543 0.000 1.017 521 R CA -0.018 55.695 56.100 -0.645 0.000 1.010 521 R CB -0.357 29.169 30.300 -1.290 0.000 0.900 521 R HN 0.724 nan 8.270 nan 0.000 0.469 522 H N 2.548 121.347 119.070 -0.451 0.000 3.115 522 H HA -0.019 4.353 4.556 -0.307 0.000 0.324 522 H C -1.886 173.213 175.328 -0.381 0.000 1.007 522 H CA -1.132 54.743 56.048 -0.289 0.000 1.385 522 H CB 0.254 29.972 29.762 -0.072 0.000 1.351 522 H HN 0.066 nan 8.280 nan 0.000 0.592 523 P HA 0.028 nan 4.420 nan 0.000 0.271 523 P C -0.729 176.034 177.300 -0.894 0.000 1.233 523 P CA -0.144 62.501 63.100 -0.759 0.000 0.764 523 P CB 0.715 31.777 31.700 -1.064 0.000 0.825 524 K N 4.108 124.066 120.400 -0.737 0.000 2.464 524 K HA 0.333 4.467 4.320 -0.310 0.000 0.252 524 K C -0.427 175.810 176.600 -0.604 0.000 1.000 524 K CA -0.694 55.259 56.287 -0.556 0.000 0.951 524 K CB 0.324 32.656 32.500 -0.281 0.000 1.183 524 K HN 0.326 nan 8.250 nan 0.000 0.445 525 F N 1.362 121.127 119.950 -0.308 0.000 2.462 525 F HA 0.196 4.536 4.527 -0.312 0.000 0.360 525 F C 1.260 176.945 175.800 -0.193 0.000 1.134 525 F CA -0.382 57.422 58.000 -0.326 0.000 1.148 525 F CB 0.749 39.367 39.000 -0.635 0.000 1.147 525 F HN 0.584 nan 8.300 nan 0.000 0.550 526 A N 1.585 124.409 122.820 0.005 0.000 2.551 526 A HA 0.312 4.446 4.320 -0.310 0.000 0.252 526 A C 0.528 178.130 177.584 0.030 0.000 1.199 526 A CA -0.102 51.942 52.037 0.012 0.000 0.972 526 A CB 0.057 19.039 19.000 -0.031 0.000 1.153 526 A HN 0.460 nan 8.150 nan 0.000 0.559 527 S N -0.018 115.709 115.700 0.045 0.000 2.508 527 S HA 0.563 4.847 4.470 -0.310 0.000 0.284 527 S C 1.047 175.693 174.600 0.076 0.000 1.192 527 S CA 0.141 58.367 58.200 0.043 0.000 1.070 527 S CB 1.686 64.903 63.200 0.029 0.000 1.004 527 S HN 0.602 nan 8.310 nan 0.000 0.493 528 A N 2.115 124.981 122.820 0.077 0.000 2.085 528 A HA 0.631 4.765 4.320 -0.310 0.000 0.208 528 A C 1.058 178.727 177.584 0.141 0.000 1.191 528 A CA 0.287 52.395 52.037 0.118 0.000 0.799 528 A CB -0.223 18.842 19.000 0.108 0.000 0.877 528 A HN 0.846 nan 8.150 nan 0.000 0.473 529 A N 0.215 123.073 122.820 0.064 0.000 2.332 529 A HA 0.501 4.635 4.320 -0.310 0.000 0.258 529 A C 0.622 178.129 177.584 -0.128 0.000 1.087 529 A CA -0.480 51.548 52.037 -0.014 0.000 0.802 529 A CB -0.016 18.952 19.000 -0.053 0.000 1.042 529 A HN 0.529 nan 8.150 nan 0.000 0.489 530 R N 0.610 120.812 120.500 -0.496 0.000 2.484 530 R HA 0.328 4.482 4.340 -0.310 0.000 0.293 530 R C 0.405 176.511 176.300 -0.323 0.000 1.023 530 R CA 0.845 56.462 56.100 -0.804 0.000 1.037 530 R CB 0.016 29.424 30.300 -1.487 0.000 0.951 530 R HN 0.822 nan 8.270 nan 0.000 0.418 531 G N 1.973 110.682 108.800 -0.151 0.000 3.013 531 G HA2 0.634 4.408 3.960 -0.310 0.000 0.278 531 G HA3 0.634 4.408 3.960 -0.310 0.000 0.278 531 G C -1.216 173.672 174.900 -0.021 0.000 1.353 531 G CA -0.505 44.558 45.100 -0.062 0.000 1.043 531 G HN 0.833 nan 8.290 nan 0.000 0.523 532 A N -1.058 121.767 122.820 0.010 0.000 2.272 532 A HA 0.707 4.840 4.320 -0.310 0.000 0.275 532 A C -0.100 177.512 177.584 0.046 0.000 1.096 532 A CA -0.426 51.629 52.037 0.030 0.000 0.822 532 A CB 0.233 19.263 19.000 0.049 0.000 1.088 532 A HN 0.557 nan 8.150 nan 0.000 0.495 533 I N 0.498 121.096 120.570 0.047 0.000 2.392 533 I HA 0.416 4.400 4.170 -0.310 0.000 0.295 533 I C 0.860 177.002 176.117 0.042 0.000 0.985 533 I CA -0.436 60.894 61.300 0.049 0.000 1.221 533 I CB 1.732 39.761 38.000 0.048 0.000 1.366 533 I HN 0.659 nan 8.210 nan 0.000 0.467 534 G N 6.203 115.028 108.800 0.042 0.000 2.448 534 G HA2 0.471 4.245 3.960 -0.310 0.000 0.309 534 G HA3 0.471 4.245 3.960 -0.310 0.000 0.309 534 G C -0.125 174.788 174.900 0.022 0.000 1.027 534 G CA -0.302 44.818 45.100 0.032 0.000 1.104 534 G HN 0.505 nan 8.290 nan 0.000 0.428 535 V N 1.198 121.119 119.914 0.012 0.000 2.716 535 V HA 0.827 4.761 4.120 -0.310 0.000 0.304 535 V C -0.715 175.403 176.094 0.039 0.000 1.053 535 V CA -1.525 60.787 62.300 0.020 0.000 0.984 535 V CB 1.708 33.534 31.823 0.005 0.000 1.021 535 V HN 0.425 nan 8.190 nan 0.000 0.467 536 F N 2.772 122.666 119.950 -0.095 0.000 2.449 536 F HA 0.922 5.265 4.527 -0.306 0.000 0.342 536 F C 0.225 175.962 175.800 -0.105 0.000 1.127 536 F CA 0.054 57.992 58.000 -0.104 0.000 0.975 536 F CB 1.119 40.048 39.000 -0.118 0.000 1.146 536 F HN 1.041 nan 8.300 nan 0.000 0.444 537 G N 2.185 110.813 108.800 -0.288 0.000 2.827 537 G HA2 0.550 4.324 3.960 -0.310 0.000 0.296 537 G HA3 0.550 4.324 3.960 -0.310 0.000 0.296 537 G C -1.560 173.162 174.900 -0.298 0.000 1.362 537 G CA -0.599 44.414 45.100 -0.145 0.000 0.809 537 G HN 0.708 nan 8.290 nan 0.000 0.522 538 T N -1.278 113.180 114.554 -0.160 0.000 2.937 538 T HA 0.474 4.638 4.350 -0.310 0.000 0.297 538 T C -0.424 174.210 174.700 -0.110 0.000 0.991 538 T CA -0.539 61.470 62.100 -0.153 0.000 0.990 538 T CB 1.229 70.046 68.868 -0.086 0.000 0.991 538 T HN 0.994 nan 8.240 nan 0.000 0.440 539 M N 4.714 124.246 119.600 -0.113 0.000 2.201 539 M HA 0.474 4.768 4.480 -0.310 0.000 0.345 539 M C 0.211 176.477 176.300 -0.057 0.000 1.352 539 M CA 0.116 55.368 55.300 -0.080 0.000 1.218 539 M CB -0.125 32.425 32.600 -0.082 0.000 1.512 539 M HN 0.607 nan 8.290 nan 0.000 0.447 540 N N 1.884 120.558 118.700 -0.043 0.000 2.236 540 N HA 0.144 4.698 4.740 -0.310 0.000 0.196 540 N C -0.330 175.158 175.510 -0.037 0.000 1.114 540 N CA 0.023 53.053 53.050 -0.033 0.000 0.859 540 N CB 0.507 38.982 38.487 -0.019 0.000 0.982 540 N HN 0.720 nan 8.380 nan 0.000 0.493 541 S N 0.049 115.728 115.700 -0.035 0.000 2.564 541 S HA 0.096 4.380 4.470 -0.310 0.000 0.278 541 S C 1.384 175.910 174.600 -0.123 0.000 1.333 541 S CA -0.420 57.751 58.200 -0.049 0.000 1.048 541 S CB 0.345 63.549 63.200 0.007 0.000 0.900 541 S HN 0.142 nan 8.310 nan 0.000 0.505 542 M N 3.279 122.710 119.600 -0.282 0.000 2.619 542 M HA 0.123 4.417 4.480 -0.310 0.000 0.251 542 M C -0.892 175.038 176.300 -0.617 0.000 1.106 542 M CA 0.800 55.797 55.300 -0.505 0.000 1.086 542 M CB -1.029 31.104 32.600 -0.779 0.000 1.465 542 M HN 0.572 nan 8.290 nan 0.000 0.506 543 Y N -0.549 119.761 120.300 0.017 0.000 2.425 543 Y HA 0.527 4.891 4.550 -0.310 0.000 0.344 543 Y C 0.344 176.262 175.900 0.029 0.000 0.969 543 Y CA -1.779 56.333 58.100 0.020 0.000 1.052 543 Y CB 1.537 40.007 38.460 0.017 0.000 1.215 543 Y HN 0.033 nan 8.280 nan 0.000 0.451 544 S N 0.374 116.197 115.700 0.204 0.000 2.607 544 S HA 0.570 4.854 4.470 -0.310 0.000 0.273 544 S C -1.543 173.148 174.600 0.152 0.000 1.148 544 S CA -1.028 57.263 58.200 0.152 0.000 0.833 544 S CB 2.250 65.521 63.200 0.119 0.000 1.130 544 S HN 0.488 nan 8.310 nan 0.000 0.470 545 D N 1.266 121.766 120.400 0.167 0.000 2.863 545 D HA 0.323 4.777 4.640 -0.310 0.000 0.323 545 D C -0.522 175.927 176.300 0.248 0.000 1.286 545 D CA -0.171 53.934 54.000 0.175 0.000 0.921 545 D CB 0.238 41.133 40.800 0.159 0.000 1.024 545 D HN 0.535 nan 8.370 nan 0.000 0.505 546 C N 0.879 120.315 119.300 0.227 0.000 2.469 546 C HA 0.180 4.454 4.460 -0.310 0.000 0.298 546 C C 0.723 175.846 174.990 0.222 0.000 1.436 546 C CA -0.871 58.304 59.018 0.262 0.000 1.783 546 C CB -0.634 27.222 27.740 0.194 0.000 2.726 546 C HN 0.286 nan 8.230 nan 0.000 0.541 547 D N 0.412 120.955 120.400 0.238 0.000 2.358 547 D HA 0.101 4.555 4.640 -0.310 0.000 0.244 547 D C 1.415 177.917 176.300 0.336 0.000 1.163 547 D CA -0.054 54.063 54.000 0.194 0.000 0.945 547 D CB 1.275 42.100 40.800 0.041 0.000 1.152 547 D HN -0.039 nan 8.370 nan 0.000 0.451 548 V N 0.922 121.027 119.914 0.319 0.000 2.363 548 V HA -0.233 3.701 4.120 -0.310 0.000 0.254 548 V C 1.808 178.109 176.094 0.345 0.000 1.074 548 V CA 1.565 64.057 62.300 0.320 0.000 1.069 548 V CB -0.328 31.675 31.823 0.300 0.000 0.659 548 V HN 0.439 nan 8.190 nan 0.000 0.455 549 L N -0.624 120.814 121.223 0.359 0.000 2.928 549 L HA 0.439 4.593 4.340 -0.310 0.000 0.246 549 L C 1.403 178.340 176.870 0.113 0.000 1.239 549 L CA 0.222 55.105 54.840 0.072 0.000 1.035 549 L CB -0.335 41.509 42.059 -0.357 0.000 1.360 549 L HN 0.477 nan 8.230 nan 0.000 0.529 550 G N 2.213 111.095 108.800 0.137 0.000 2.627 550 G HA2 -0.397 3.377 3.960 -0.310 0.000 0.312 550 G HA3 -0.397 3.377 3.960 -0.310 0.000 0.312 550 G C 0.274 175.313 174.900 0.232 0.000 1.299 550 G CA 0.463 45.611 45.100 0.081 0.000 0.989 550 G HN 0.641 nan 8.290 nan 0.000 0.547 551 N N 0.384 119.179 118.700 0.158 0.000 2.918 551 N HA 0.327 4.881 4.740 -0.310 0.000 0.247 551 N C -0.070 175.575 175.510 0.225 0.000 1.117 551 N CA -0.521 52.636 53.050 0.179 0.000 1.005 551 N CB 0.824 39.377 38.487 0.111 0.000 1.297 551 N HN 0.633 nan 8.380 nan 0.000 0.513 552 Y N 1.733 122.135 120.300 0.170 0.000 2.532 552 Y HA 0.533 4.897 4.550 -0.310 0.000 0.283 552 Y C -0.005 175.934 175.900 0.065 0.000 1.181 552 Y CA -0.712 57.445 58.100 0.095 0.000 1.256 552 Y CB -0.162 38.264 38.460 -0.056 0.000 1.112 552 Y HN 0.704 nan 8.280 nan 0.000 0.521 574 T N -2.210 112.283 114.554 -0.101 0.000 2.932 574 T HA 0.538 4.702 4.350 -0.310 0.000 0.289 574 T C 0.662 175.357 174.700 -0.009 0.000 1.039 574 T CA 0.166 62.208 62.100 -0.096 0.000 1.024 574 T CB 1.567 70.384 68.868 -0.084 0.000 1.090 574 T HN 0.934 nan 8.240 nan 0.000 0.496 575 Y N 1.566 121.808 120.300 -0.097 0.000 2.274 575 Y HA -0.036 4.328 4.550 -0.310 0.000 0.290 575 Y C 2.554 178.464 175.900 0.017 0.000 1.145 575 Y CA 1.340 59.441 58.100 0.001 0.000 1.203 575 Y CB -0.313 38.218 38.460 0.117 0.000 0.984 575 Y HN 0.757 nan 8.280 nan 0.000 0.533 576 R N 0.272 120.659 120.500 -0.188 0.000 2.073 576 R HA -0.122 4.032 4.340 -0.310 0.000 0.234 576 R C 2.496 178.697 176.300 -0.165 0.000 1.134 576 R CA 1.441 57.382 56.100 -0.265 0.000 0.952 576 R CB -0.616 29.605 30.300 -0.132 0.000 0.850 576 R HN 0.410 nan 8.270 nan 0.000 0.433 577 A N 0.810 123.575 122.820 -0.093 0.000 1.873 577 A HA -0.206 3.928 4.320 -0.310 0.000 0.218 577 A C 2.396 179.952 177.584 -0.046 0.000 1.193 577 A CA 2.040 54.042 52.037 -0.058 0.000 0.629 577 A CB -1.153 17.820 19.000 -0.045 0.000 0.826 577 A HN 0.558 nan 8.150 nan 0.000 0.447 578 A N -0.360 122.444 122.820 -0.028 0.000 1.873 578 A HA -0.197 3.937 4.320 -0.310 0.000 0.218 578 A C 2.501 180.080 177.584 -0.007 0.000 1.193 578 A CA 3.131 55.174 52.037 0.010 0.000 0.629 578 A CB -1.692 17.356 19.000 0.079 0.000 0.826 578 A HN 0.974 nan 8.150 nan 0.000 0.447 579 T N -1.887 112.619 114.554 -0.080 0.000 2.881 579 T HA -0.165 3.999 4.350 -0.310 0.000 0.270 579 T C 1.531 176.205 174.700 -0.042 0.000 1.068 579 T CA 1.664 63.718 62.100 -0.076 0.000 1.131 579 T CB -0.467 68.272 68.868 -0.215 0.000 0.871 579 T HN 0.665 nan 8.240 nan 0.000 0.479 580 E N 1.085 121.254 120.200 -0.052 0.000 2.046 580 E HA -0.055 4.109 4.350 -0.310 0.000 0.190 580 E C 2.685 179.281 176.600 -0.007 0.000 0.982 580 E CA 0.848 57.233 56.400 -0.025 0.000 0.800 580 E CB -0.114 29.570 29.700 -0.025 0.000 0.756 580 E HN 0.559 nan 8.360 nan 0.000 0.449 581 R N 0.627 121.125 120.500 -0.004 0.000 2.081 581 R HA -0.090 4.064 4.340 -0.310 0.000 0.235 581 R C 2.490 178.799 176.300 0.016 0.000 1.131 581 R CA 1.026 57.129 56.100 0.005 0.000 0.960 581 R CB -0.479 29.825 30.300 0.007 0.000 0.856 581 R HN 0.019 nan 8.270 nan 0.000 0.436 582 V N 1.165 121.096 119.914 0.028 0.000 2.295 582 V HA -0.267 3.667 4.120 -0.310 0.000 0.246 582 V C 2.371 178.491 176.094 0.042 0.000 1.049 582 V CA 1.605 63.934 62.300 0.048 0.000 1.024 582 V CB -0.331 31.536 31.823 0.073 0.000 0.648 582 V HN 0.301 nan 8.190 nan 0.000 0.447 583 M N -0.499 119.120 119.600 0.031 0.000 2.213 583 M HA -0.101 4.192 4.480 -0.310 0.000 0.263 583 M C 2.324 178.634 176.300 0.017 0.000 1.062 583 M CA 1.987 57.303 55.300 0.028 0.000 1.105 583 M CB -1.482 31.129 32.600 0.018 0.000 1.385 583 M HN 0.422 nan 8.290 nan 0.000 0.417 584 A N -0.044 122.782 122.820 0.009 0.000 1.841 584 A HA -0.142 3.991 4.320 -0.310 0.000 0.214 584 A C 2.147 179.726 177.584 -0.009 0.000 1.195 584 A CA 1.420 53.457 52.037 -0.000 0.000 0.611 584 A CB -0.600 18.399 19.000 -0.001 0.000 0.835 584 A HN 0.338 nan 8.150 nan 0.000 0.443 585 E N 0.172 120.369 120.200 -0.005 0.000 2.065 585 E HA -0.206 3.958 4.350 -0.310 0.000 0.201 585 E C 2.060 178.630 176.600 -0.049 0.000 1.016 585 E CA 1.374 57.762 56.400 -0.020 0.000 0.818 585 E CB -0.555 29.147 29.700 0.003 0.000 0.749 585 E HN 0.648 nan 8.360 nan 0.000 0.453 586 L N 0.354 121.569 121.223 -0.014 0.000 2.127 586 L HA -0.189 3.965 4.340 -0.310 0.000 0.211 586 L C 2.572 179.409 176.870 -0.055 0.000 1.089 586 L CA 1.276 56.106 54.840 -0.017 0.000 0.757 586 L CB -0.389 41.717 42.059 0.079 0.000 0.899 586 L HN 0.188 nan 8.230 nan 0.000 0.434 587 E N -0.330 119.854 120.200 -0.026 0.000 2.106 587 E HA -0.178 3.986 4.350 -0.310 0.000 0.192 587 E C 2.013 178.575 176.600 -0.063 0.000 0.984 587 E CA 1.496 57.883 56.400 -0.022 0.000 0.806 587 E CB 0.165 29.862 29.700 -0.005 0.000 0.750 587 E HN 0.339 nan 8.360 nan 0.000 0.458 588 T N 1.489 115.994 114.554 -0.081 0.000 2.652 588 T HA -0.141 4.023 4.350 -0.310 0.000 0.267 588 T C 1.567 176.167 174.700 -0.167 0.000 1.039 588 T CA 0.915 62.958 62.100 -0.096 0.000 1.153 588 T CB -0.139 68.679 68.868 -0.082 0.000 0.863 588 T HN 0.136 nan 8.240 nan 0.000 0.428 589 L N 1.012 122.054 121.223 -0.302 0.000 2.447 589 L HA -0.026 4.128 4.340 -0.310 0.000 0.225 589 L C 1.138 177.705 176.870 -0.506 0.000 1.148 589 L CA 1.470 55.960 54.840 -0.583 0.000 0.808 589 L CB -1.577 39.746 42.059 -1.227 0.000 0.928 589 L HN 0.578 nan 8.230 nan 0.000 0.448 590 Q N -2.364 117.295 119.800 -0.235 0.000 2.493 590 Q HA -0.266 3.888 4.340 -0.310 0.000 0.278 590 Q C 0.264 176.365 176.000 0.169 0.000 1.216 590 Q CA 0.409 56.196 55.803 -0.027 0.000 0.875 590 Q CB -1.582 27.160 28.738 0.006 0.000 1.262 590 Q HN 0.395 nan 8.270 nan 0.000 0.468 591 Y N -1.939 118.372 120.300 0.018 0.000 2.458 591 Y HA 0.325 4.689 4.550 -0.310 0.000 0.254 591 Y C 0.960 176.883 175.900 0.038 0.000 1.120 591 Y CA 0.142 58.257 58.100 0.025 0.000 1.282 591 Y CB 1.099 39.572 38.460 0.020 0.000 1.109 591 Y HN 0.018 nan 8.280 nan 0.000 0.526 592 V N -0.301 119.721 119.914 0.180 0.000 3.206 592 V HA 0.318 4.252 4.120 -0.310 0.000 0.305 592 V C -1.300 174.835 176.094 0.069 0.000 1.257 592 V CA -1.228 61.139 62.300 0.111 0.000 1.057 592 V CB 2.968 34.848 31.823 0.094 0.000 1.075 592 V HN -0.140 nan 8.190 nan 0.000 0.443 593 D N 0.796 121.228 120.400 0.053 0.000 2.454 593 D HA 0.316 4.770 4.640 -0.310 0.000 0.247 593 D C 0.812 177.129 176.300 0.029 0.000 1.129 593 D CA -0.309 53.714 54.000 0.037 0.000 0.877 593 D CB 1.867 42.690 40.800 0.037 0.000 1.082 593 D HN 0.570 nan 8.370 nan 0.000 0.537 594 Q N 1.928 121.742 119.800 0.024 0.000 2.268 594 Q HA -0.217 3.937 4.340 -0.310 0.000 0.210 594 Q C 1.433 177.444 176.000 0.018 0.000 0.988 594 Q CA 1.745 57.559 55.803 0.019 0.000 0.883 594 Q CB 0.128 28.875 28.738 0.015 0.000 0.911 594 Q HN 0.546 nan 8.270 nan 0.000 0.430 595 A N 0.160 122.991 122.820 0.019 0.000 2.081 595 A HA 0.103 4.237 4.320 -0.310 0.000 0.214 595 A C 0.988 178.587 177.584 0.025 0.000 1.158 595 A CA 0.286 52.335 52.037 0.020 0.000 0.724 595 A CB 0.791 19.801 19.000 0.016 0.000 0.826 595 A HN 0.123 nan 8.150 nan 0.000 0.463 596 V N 1.378 121.307 119.914 0.025 0.000 2.315 596 V HA 0.200 4.134 4.120 -0.310 0.000 0.265 596 V C -1.781 174.325 176.094 0.020 0.000 1.019 596 V CA -0.970 61.346 62.300 0.027 0.000 0.824 596 V CB 1.043 32.886 31.823 0.032 0.000 1.072 596 V HN 0.270 nan 8.190 nan 0.000 0.448 597 P HA -0.218 nan 4.420 nan 0.000 0.218 597 P C 1.440 178.728 177.300 -0.019 0.000 1.146 597 P CA 1.457 64.550 63.100 -0.011 0.000 0.820 597 P CB 0.373 32.057 31.700 -0.027 0.000 0.778 598 T N -1.511 113.040 114.554 -0.004 0.000 3.113 598 T HA 0.201 4.365 4.350 -0.310 0.000 0.263 598 T C 0.846 175.560 174.700 0.022 0.000 1.143 598 T CA 0.184 62.283 62.100 -0.001 0.000 1.090 598 T CB -0.692 68.183 68.868 0.011 0.000 0.922 598 T HN 0.103 nan 8.240 nan 0.000 0.521 599 A N 1.198 124.038 122.820 0.032 0.000 2.354 599 A HA 0.537 4.671 4.320 -0.310 0.000 0.269 599 A C 1.313 178.942 177.584 0.074 0.000 1.109 599 A CA -0.476 51.592 52.037 0.050 0.000 0.800 599 A CB 0.258 19.287 19.000 0.048 0.000 1.045 599 A HN 0.301 nan 8.150 nan 0.000 0.489 600 M N 1.981 121.637 119.600 0.092 0.000 2.492 600 M HA 0.039 4.333 4.480 -0.310 0.000 0.262 600 M C 1.507 177.889 176.300 0.138 0.000 1.090 600 M CA 0.981 56.364 55.300 0.138 0.000 1.110 600 M CB -1.287 31.401 32.600 0.148 0.000 1.407 600 M HN 1.233 nan 8.290 nan 0.000 0.470 601 G N 3.060 111.925 108.800 0.107 0.000 2.101 601 G HA2 -0.300 3.474 3.960 -0.310 0.000 0.247 601 G HA3 -0.300 3.474 3.960 -0.310 0.000 0.247 601 G C 0.552 175.526 174.900 0.122 0.000 0.740 601 G CA 0.561 45.723 45.100 0.103 0.000 1.130 601 G HN 0.507 nan 8.290 nan 0.000 0.342 602 R N -1.264 119.301 120.500 0.108 0.000 3.953 602 R HA -0.236 3.918 4.340 -0.310 0.000 0.448 602 R C 2.010 178.381 176.300 0.119 0.000 1.016 602 R CA 1.722 57.886 56.100 0.107 0.000 1.398 602 R CB -1.860 28.500 30.300 0.101 0.000 2.021 602 R HN 0.616 nan 8.270 nan 0.000 0.538 603 L N 1.015 122.320 121.223 0.137 0.000 2.191 603 L HA -0.139 4.015 4.340 -0.310 0.000 0.212 603 L C 1.997 178.957 176.870 0.150 0.000 1.103 603 L CA 1.612 56.497 54.840 0.075 0.000 0.769 603 L CB -0.263 41.861 42.059 0.109 0.000 0.908 603 L HN 0.299 nan 8.230 nan 0.000 0.438 604 E N -0.964 119.405 120.200 0.282 0.000 2.338 604 E HA -0.133 4.031 4.350 -0.310 0.000 0.197 604 E C 1.757 178.467 176.600 0.183 0.000 1.007 604 E CA 1.281 57.887 56.400 0.343 0.000 0.849 604 E CB 0.088 29.903 29.700 0.191 0.000 0.774 604 E HN 0.472 nan 8.360 nan 0.000 0.506 605 T N 0.660 115.277 114.554 0.105 0.000 3.004 605 T HA 0.030 4.194 4.350 -0.310 0.000 0.243 605 T C 1.842 176.554 174.700 0.019 0.000 1.020 605 T CA 0.033 62.168 62.100 0.059 0.000 1.145 605 T CB 0.179 69.080 68.868 0.055 0.000 0.876 605 T HN 0.007 nan 8.240 nan 0.000 0.449 606 I N 1.796 122.367 120.570 0.002 0.000 2.099 606 I HA -0.026 3.958 4.170 -0.310 0.000 0.239 606 I C 1.215 177.259 176.117 -0.123 0.000 1.066 606 I CA 1.295 62.573 61.300 -0.036 0.000 1.324 606 I CB -1.054 36.933 38.000 -0.021 0.000 1.037 606 I HN 0.223 nan 8.210 nan 0.000 0.401 607 I N 2.356 122.774 120.570 -0.253 0.000 2.357 607 I HA -0.026 3.957 4.170 -0.310 0.000 0.300 607 I C 1.070 177.094 176.117 -0.155 0.000 1.159 607 I CA 0.156 61.243 61.300 -0.355 0.000 1.339 607 I CB -0.051 37.425 38.000 -0.873 0.000 1.458 607 I HN 0.294 nan 8.210 nan 0.000 0.577 608 T N 0.329 114.823 114.554 -0.099 0.000 2.969 608 T HA 0.183 4.347 4.350 -0.310 0.000 0.258 608 T C 0.260 174.922 174.700 -0.065 0.000 0.962 608 T CA -0.392 61.684 62.100 -0.040 0.000 0.903 608 T CB -0.033 68.822 68.868 -0.022 0.000 1.177 608 T HN 0.567 nan 8.240 nan 0.000 0.511 609 N N 0.821 119.462 118.700 -0.099 0.000 2.357 609 N HA 0.477 5.031 4.740 -0.310 0.000 0.284 609 N C 0.316 175.737 175.510 -0.148 0.000 1.236 609 N CA -1.192 51.792 53.050 -0.109 0.000 0.774 609 N CB 1.344 39.781 38.487 -0.082 0.000 1.534 609 N HN -0.017 nan 8.380 nan 0.000 0.478 610 R N -0.562 119.834 120.500 -0.173 0.000 2.341 610 R HA 0.007 4.161 4.340 -0.310 0.000 0.213 610 R C 0.983 177.233 176.300 -0.084 0.000 1.082 610 R CA 1.191 57.168 56.100 -0.206 0.000 1.017 610 R CB -0.443 29.690 30.300 -0.279 0.000 0.860 610 R HN 0.821 nan 8.270 nan 0.000 0.473 611 E N 0.436 120.596 120.200 -0.067 0.000 2.170 611 E HA 0.004 4.168 4.350 -0.310 0.000 0.191 611 E C 1.693 178.254 176.600 -0.065 0.000 0.981 611 E CA 0.732 57.108 56.400 -0.041 0.000 0.830 611 E CB -0.001 29.649 29.700 -0.084 0.000 0.775 611 E HN 0.493 nan 8.360 nan 0.000 0.470 612 A N 1.648 124.402 122.820 -0.109 0.000 1.902 612 A HA -0.160 3.973 4.320 -0.310 0.000 0.217 612 A C 2.171 179.641 177.584 -0.191 0.000 1.181 612 A CA 0.960 52.913 52.037 -0.140 0.000 0.623 612 A CB -0.706 18.193 19.000 -0.168 0.000 0.818 612 A HN 0.404 nan 8.150 nan 0.000 0.443 613 L N -1.200 119.887 121.223 -0.228 0.000 1.990 613 L HA -0.267 3.887 4.340 -0.310 0.000 0.213 613 L C 2.641 179.381 176.870 -0.218 0.000 1.072 613 L CA 2.109 56.788 54.840 -0.268 0.000 0.755 613 L CB -0.617 41.282 42.059 -0.267 0.000 0.889 613 L HN 0.512 nan 8.230 nan 0.000 0.432 614 H N -0.788 118.102 119.070 -0.301 0.000 2.267 614 H HA -0.256 4.114 4.556 -0.310 0.000 0.291 614 H C 2.330 177.502 175.328 -0.260 0.000 1.094 614 H CA 2.506 58.248 56.048 -0.509 0.000 1.227 614 H CB -0.599 28.821 29.762 -0.570 0.000 1.351 614 H HN 0.476 nan 8.280 nan 0.000 0.483 615 T N 0.181 114.709 114.554 -0.044 0.000 2.746 615 T HA -0.104 4.060 4.350 -0.310 0.000 0.267 615 T C 2.323 177.027 174.700 0.006 0.000 1.039 615 T CA 1.772 63.865 62.100 -0.012 0.000 1.142 615 T CB -0.617 68.248 68.868 -0.006 0.000 0.866 615 T HN 0.084 nan 8.240 nan 0.000 0.444 616 V N 1.362 121.213 119.914 -0.105 0.000 2.261 616 V HA -0.131 3.803 4.120 -0.310 0.000 0.246 616 V C 2.891 178.906 176.094 -0.131 0.000 1.047 616 V CA 1.899 64.059 62.300 -0.233 0.000 1.015 616 V CB -0.782 30.700 31.823 -0.568 0.000 0.642 616 V HN 0.436 nan 8.190 nan 0.000 0.446 617 V N 0.644 120.469 119.914 -0.148 0.000 2.287 617 V HA -0.316 3.618 4.120 -0.310 0.000 0.248 617 V C 2.070 178.116 176.094 -0.079 0.000 1.053 617 V CA 2.568 64.746 62.300 -0.203 0.000 1.027 617 V CB -1.135 30.548 31.823 -0.232 0.000 0.646 617 V HN 0.631 nan 8.190 nan 0.000 0.447 618 N N 0.336 119.082 118.700 0.076 0.000 2.223 618 N HA -0.159 4.394 4.740 -0.310 0.000 0.185 618 N C 1.701 177.284 175.510 0.121 0.000 1.016 618 N CA 1.194 54.321 53.050 0.128 0.000 0.863 618 N CB -0.175 38.396 38.487 0.141 0.000 0.983 618 N HN 0.512 nan 8.380 nan 0.000 0.429 619 N N 0.845 119.624 118.700 0.131 0.000 2.106 619 N HA -0.117 4.437 4.740 -0.310 0.000 0.188 619 N C 2.111 177.730 175.510 0.182 0.000 1.029 619 N CA 1.054 54.206 53.050 0.170 0.000 0.848 619 N CB -0.534 38.108 38.487 0.258 0.000 1.007 619 N HN 0.200 nan 8.380 nan 0.000 0.423 620 V N 0.866 120.894 119.914 0.190 0.000 2.358 620 V HA -0.132 3.802 4.120 -0.310 0.000 0.246 620 V C 2.479 178.715 176.094 0.236 0.000 1.047 620 V CA 1.629 64.051 62.300 0.202 0.000 1.035 620 V CB -0.468 31.460 31.823 0.174 0.000 0.658 620 V HN 0.153 nan 8.190 nan 0.000 0.452 621 R N -0.206 120.404 120.500 0.184 0.000 2.083 621 R HA -0.251 3.903 4.340 -0.310 0.000 0.237 621 R C 2.626 179.140 176.300 0.357 0.000 1.137 621 R CA 2.423 58.703 56.100 0.300 0.000 0.951 621 R CB -0.587 29.828 30.300 0.192 0.000 0.851 621 R HN 0.791 nan 8.270 nan 0.000 0.434 622 Q N 0.371 120.311 119.800 0.234 0.000 2.050 622 Q HA -0.144 4.009 4.340 -0.310 0.000 0.202 622 Q C 2.116 178.218 176.000 0.169 0.000 0.980 622 Q CA 2.414 58.331 55.803 0.189 0.000 0.840 622 Q CB -0.076 28.747 28.738 0.142 0.000 0.898 622 Q HN 0.425 nan 8.270 nan 0.000 0.424 623 V N -2.042 117.967 119.914 0.159 0.000 2.407 623 V HA -0.150 3.784 4.120 -0.310 0.000 0.248 623 V C 2.186 178.366 176.094 0.143 0.000 1.055 623 V CA 1.598 63.975 62.300 0.127 0.000 1.049 623 V CB -0.799 31.088 31.823 0.107 0.000 0.662 623 V HN 0.203 nan 8.190 nan 0.000 0.455 624 V N 0.980 121.018 119.914 0.207 0.000 2.307 624 V HA -0.177 3.757 4.120 -0.310 0.000 0.245 624 V C 2.625 178.792 176.094 0.121 0.000 1.045 624 V CA 2.442 64.855 62.300 0.189 0.000 1.024 624 V CB -0.862 31.148 31.823 0.312 0.000 0.651 624 V HN 0.509 nan 8.190 nan 0.000 0.449 625 D N -0.300 120.203 120.400 0.172 0.000 2.123 625 D HA -0.190 4.264 4.640 -0.310 0.000 0.196 625 D C 2.245 178.598 176.300 0.089 0.000 0.992 625 D CA 1.363 55.433 54.000 0.117 0.000 0.833 625 D CB -0.260 40.648 40.800 0.181 0.000 0.954 625 D HN 0.331 nan 8.370 nan 0.000 0.455 626 R N 0.764 121.323 120.500 0.099 0.000 2.082 626 R HA -0.151 4.003 4.340 -0.310 0.000 0.234 626 R C 1.913 178.247 176.300 0.058 0.000 1.136 626 R CA 1.316 57.461 56.100 0.075 0.000 0.935 626 R CB 0.065 30.409 30.300 0.073 0.000 0.842 626 R HN 0.018 nan 8.270 nan 0.000 0.430 627 E N 0.079 120.314 120.200 0.059 0.000 2.153 627 E HA -0.132 4.032 4.350 -0.310 0.000 0.194 627 E C 2.059 178.681 176.600 0.036 0.000 0.988 627 E CA 1.109 57.537 56.400 0.047 0.000 0.811 627 E CB -0.092 29.642 29.700 0.056 0.000 0.746 627 E HN 0.252 nan 8.360 nan 0.000 0.466 628 V N 1.249 121.181 119.914 0.030 0.000 2.379 628 V HA -0.226 3.708 4.120 -0.310 0.000 0.245 628 V C 2.480 178.569 176.094 -0.008 0.000 1.044 628 V CA 1.842 64.142 62.300 0.000 0.000 1.036 628 V CB -0.508 31.299 31.823 -0.028 0.000 0.664 628 V HN 0.226 nan 8.190 nan 0.000 0.453 629 E N 0.838 121.054 120.200 0.028 0.000 2.086 629 E HA -0.319 3.845 4.350 -0.310 0.000 0.200 629 E C 2.201 178.822 176.600 0.035 0.000 1.012 629 E CA 2.390 58.820 56.400 0.051 0.000 0.812 629 E CB -0.415 29.323 29.700 0.062 0.000 0.743 629 E HN 0.670 nan 8.360 nan 0.000 0.453 630 Q N -0.427 119.388 119.800 0.025 0.000 1.969 630 Q HA -0.146 4.007 4.340 -0.310 0.000 0.198 630 Q C 2.365 178.365 176.000 -0.002 0.000 0.978 630 Q CA 1.514 57.328 55.803 0.018 0.000 0.830 630 Q CB -0.400 28.349 28.738 0.019 0.000 0.896 630 Q HN 0.426 nan 8.270 nan 0.000 0.431 631 L N 0.869 122.084 121.223 -0.013 0.000 2.010 631 L HA -0.290 3.864 4.340 -0.310 0.000 0.219 631 L C 2.261 179.091 176.870 -0.067 0.000 1.077 631 L CA 2.165 56.984 54.840 -0.035 0.000 0.773 631 L CB -0.685 41.367 42.059 -0.013 0.000 0.892 631 L HN 0.360 nan 8.230 nan 0.000 0.436 632 M N -0.727 118.787 119.600 -0.142 0.000 2.117 632 M HA -0.190 4.104 4.480 -0.310 0.000 0.262 632 M C 2.479 178.762 176.300 -0.028 0.000 1.065 632 M CA 1.846 56.968 55.300 -0.296 0.000 1.114 632 M CB -1.493 30.536 32.600 -0.953 0.000 1.361 632 M HN 0.406 nan 8.290 nan 0.000 0.408 633 R N 0.383 120.903 120.500 0.034 0.000 2.091 633 R HA -0.160 3.994 4.340 -0.310 0.000 0.238 633 R C 1.970 178.328 176.300 0.097 0.000 1.136 633 R CA 1.489 57.652 56.100 0.105 0.000 0.959 633 R CB -0.092 30.255 30.300 0.080 0.000 0.856 633 R HN 0.410 nan 8.270 nan 0.000 0.437 634 N N 0.914 119.642 118.700 0.047 0.000 2.043 634 N HA -0.179 4.375 4.740 -0.310 0.000 0.193 634 N C 1.958 177.487 175.510 0.032 0.000 1.037 634 N CA 1.435 54.499 53.050 0.023 0.000 0.851 634 N CB -0.369 38.109 38.487 -0.016 0.000 1.027 634 N HN 0.247 nan 8.380 nan 0.000 0.422 635 L N 0.839 122.079 121.223 0.027 0.000 2.197 635 L HA -0.179 3.975 4.340 -0.310 0.000 0.215 635 L C 2.201 179.152 176.870 0.135 0.000 1.095 635 L CA 0.741 55.587 54.840 0.010 0.000 0.764 635 L CB -0.356 41.734 42.059 0.052 0.000 0.897 635 L HN 0.012 nan 8.230 nan 0.000 0.436 636 V N -0.959 119.115 119.914 0.266 0.000 2.331 636 V HA -0.107 3.827 4.120 -0.310 0.000 0.242 636 V C 1.420 177.591 176.094 0.129 0.000 1.034 636 V CA 0.745 63.207 62.300 0.270 0.000 1.027 636 V CB -0.253 31.776 31.823 0.344 0.000 0.667 636 V HN 0.414 nan 8.190 nan 0.000 0.457 642 K N 6.921 126.603 120.400 -1.197 0.000 2.404 642 K HA 0.318 4.452 4.320 -0.310 0.000 0.257 642 K C 0.306 176.246 176.600 -1.099 0.000 1.026 642 K CA -0.614 55.128 56.287 -0.908 0.000 0.951 642 K CB 0.909 33.131 32.500 -0.463 0.000 1.203 642 K HN 0.482 nan 8.250 nan 0.000 0.446 643 F N 1.337 120.958 119.950 -0.547 0.000 2.021 643 F HA -0.294 4.047 4.527 -0.310 0.000 0.297 643 F C 2.382 178.156 175.800 -0.043 0.000 1.152 643 F CA 1.531 59.454 58.000 -0.128 0.000 1.201 643 F CB -0.455 38.654 39.000 0.182 0.000 0.951 643 F HN 0.481 nan 8.300 nan 0.000 0.504 644 R N 0.042 120.654 120.500 0.186 0.000 2.103 644 R HA -0.215 3.939 4.340 -0.310 0.000 0.242 644 R C 1.808 178.109 176.300 0.002 0.000 1.142 644 R CA 2.202 58.351 56.100 0.081 0.000 0.960 644 R CB -0.746 29.580 30.300 0.044 0.000 0.858 644 R HN 0.367 nan 8.270 nan 0.000 0.439 645 D N -1.166 119.186 120.400 -0.079 0.000 2.149 645 D HA -0.053 4.401 4.640 -0.310 0.000 0.201 645 D C 1.814 178.057 176.300 -0.095 0.000 0.972 645 D CA 1.272 55.209 54.000 -0.106 0.000 0.835 645 D CB -0.286 40.424 40.800 -0.150 0.000 0.966 645 D HN 0.338 nan 8.370 nan 0.000 0.476 646 G N 1.216 109.912 108.800 -0.173 0.000 2.442 646 G HA2 -0.220 3.554 3.960 -0.310 0.000 0.219 646 G HA3 -0.220 3.554 3.960 -0.310 0.000 0.219 646 G C 1.568 176.628 174.900 0.267 0.000 1.141 646 G CA 0.951 46.017 45.100 -0.057 0.000 0.763 646 G HN 0.393 nan 8.290 nan 0.000 0.554 647 L N -1.474 119.956 121.223 0.345 0.000 2.307 647 L HA 0.374 4.528 4.340 -0.310 0.000 0.211 647 L C 2.401 179.283 176.870 0.021 0.000 1.099 647 L CA 1.124 56.082 54.840 0.197 0.000 0.816 647 L CB -0.587 41.373 42.059 -0.164 0.000 0.952 647 L HN 0.077 nan 8.230 nan 0.000 0.455 648 G N -0.143 108.659 108.800 0.002 0.000 2.679 648 G HA2 -0.144 3.630 3.960 -0.310 0.000 0.212 648 G HA3 -0.144 3.630 3.960 -0.310 0.000 0.212 648 G C 1.201 176.073 174.900 -0.047 0.000 1.137 648 G CA 0.423 45.496 45.100 -0.046 0.000 0.787 648 G HN 0.368 nan 8.290 nan 0.000 0.534 649 E N 0.164 120.358 120.200 -0.010 0.000 2.244 649 E HA 0.380 4.544 4.350 -0.310 0.000 0.196 649 E C 1.692 178.298 176.600 0.009 0.000 0.939 649 E CA 0.244 56.636 56.400 -0.013 0.000 0.884 649 E CB 0.033 29.726 29.700 -0.012 0.000 0.850 649 E HN 0.268 nan 8.360 nan 0.000 0.481 650 A N 1.500 124.352 122.820 0.054 0.000 2.483 650 A HA 0.389 4.523 4.320 -0.310 0.000 0.238 650 A C -0.096 177.470 177.584 -0.029 0.000 1.070 650 A CA -0.029 52.040 52.037 0.053 0.000 0.770 650 A CB -0.169 18.919 19.000 0.146 0.000 1.008 650 A HN 0.354 nan 8.150 nan 0.000 0.497 651 N N -0.281 118.399 118.700 -0.034 0.000 2.494 651 N HA 0.449 5.003 4.740 -0.310 0.000 0.270 651 N C -1.123 174.343 175.510 -0.074 0.000 1.285 651 N CA -0.855 52.143 53.050 -0.086 0.000 0.812 651 N CB 0.291 38.790 38.487 0.019 0.000 1.557 651 N HN 0.620 nan 8.380 nan 0.000 0.487 652 H N -0.394 118.737 119.070 0.102 0.000 2.690 652 H HA 0.659 5.029 4.556 -0.310 0.000 0.365 652 H C -0.264 175.199 175.328 0.225 0.000 1.142 652 H CA 0.537 56.670 56.048 0.143 0.000 1.417 652 H CB 0.773 30.577 29.762 0.070 0.000 1.446 652 H HN 0.857 nan 8.280 nan 0.000 0.599 653 A N 2.486 125.525 122.820 0.365 0.000 2.589 653 A HA 0.639 4.773 4.320 -0.310 0.000 0.296 653 A C -1.008 176.718 177.584 0.237 0.000 1.062 653 A CA -0.834 51.377 52.037 0.290 0.000 0.686 653 A CB 1.319 20.437 19.000 0.195 0.000 1.282 653 A HN 0.737 nan 8.150 nan 0.000 0.404 654 M N -0.380 119.317 119.600 0.161 0.000 2.603 654 M HA 0.757 5.051 4.480 -0.310 0.000 0.275 654 M C -1.441 174.874 176.300 0.026 0.000 1.226 654 M CA -0.407 54.939 55.300 0.076 0.000 0.870 654 M CB 1.883 34.492 32.600 0.014 0.000 1.716 654 M HN 0.451 nan 8.290 nan 0.000 0.482 655 S N 1.771 117.474 115.700 0.004 0.000 2.503 655 S HA 0.797 5.081 4.470 -0.310 0.000 0.301 655 S C -0.917 173.652 174.600 -0.052 0.000 1.087 655 S CA -0.842 57.346 58.200 -0.020 0.000 1.042 655 S CB 1.623 64.820 63.200 -0.004 0.000 1.043 655 S HN 0.608 nan 8.310 nan 0.000 0.489 656 L N 3.196 124.375 121.223 -0.072 0.000 2.305 656 L HA 0.433 4.587 4.340 -0.310 0.000 0.284 656 L C 0.486 177.316 176.870 -0.066 0.000 1.013 656 L CA -0.803 53.989 54.840 -0.081 0.000 0.819 656 L CB 1.422 43.426 42.059 -0.091 0.000 1.227 656 L HN 0.632 nan 8.230 nan 0.000 0.417 657 T N 1.008 115.530 114.554 -0.054 0.000 2.802 657 T HA 0.263 4.427 4.350 -0.310 0.000 0.305 657 T C 0.907 175.568 174.700 -0.065 0.000 1.053 657 T CA -0.460 61.617 62.100 -0.039 0.000 1.058 657 T CB 1.422 70.268 68.868 -0.037 0.000 0.988 657 T HN 0.478 nan 8.240 nan 0.000 0.539 658 L N -0.122 121.063 121.223 -0.063 0.000 2.959 658 L HA 0.251 4.405 4.340 -0.310 0.000 0.259 658 L C 0.822 177.396 176.870 -0.493 0.000 1.185 658 L CA -0.264 54.502 54.840 -0.124 0.000 0.998 658 L CB 0.279 42.372 42.059 0.056 0.000 1.337 658 L HN 0.723 nan 8.230 nan 0.000 0.555 659 D N 2.896 123.004 120.400 -0.487 0.000 2.358 659 D HA 0.048 4.502 4.640 -0.310 0.000 0.258 659 D C -1.364 174.546 176.300 -0.651 0.000 1.223 659 D CA -1.366 52.139 54.000 -0.826 0.000 0.886 659 D CB 1.719 42.375 40.800 -0.240 0.000 1.120 659 D HN 0.025 nan 8.370 nan 0.000 0.482 660 P HA -0.149 nan 4.420 nan 0.000 0.228 660 P C 0.294 177.331 177.300 -0.439 0.000 1.151 660 P CA 0.878 63.603 63.100 -0.625 0.000 0.770 660 P CB 0.021 31.302 31.700 -0.699 0.000 0.786 661 Y N -1.024 119.221 120.300 -0.091 0.000 2.507 661 Y HA 0.478 4.842 4.550 -0.310 0.000 0.254 661 Y C 2.303 178.198 175.900 -0.008 0.000 1.171 661 Y CA -0.458 57.637 58.100 -0.008 0.000 1.238 661 Y CB -0.704 37.777 38.460 0.036 0.000 1.148 661 Y HN -0.036 nan 8.280 nan 0.000 0.525 662 A N -0.444 122.406 122.820 0.050 0.000 2.238 662 A HA 0.107 4.241 4.320 -0.310 0.000 0.210 662 A C 1.197 178.797 177.584 0.026 0.000 1.179 662 A CA 0.118 52.172 52.037 0.029 0.000 0.827 662 A CB -1.057 17.936 19.000 -0.013 0.000 0.856 662 A HN 0.420 nan 8.150 nan 0.000 0.488 663 C N -1.112 118.209 119.300 0.034 0.000 2.639 663 C HA 0.664 4.938 4.460 -0.310 0.000 0.360 663 C C 1.289 176.326 174.990 0.078 0.000 1.351 663 C CA -0.781 58.277 59.018 0.066 0.000 2.408 663 C CB -0.569 27.197 27.740 0.043 0.000 2.517 663 C HN 0.554 nan 8.230 nan 0.000 0.696 664 G N 0.944 109.806 108.800 0.103 0.000 2.614 664 G HA2 0.459 4.233 3.960 -0.310 0.000 0.239 664 G HA3 0.459 4.233 3.960 -0.310 0.000 0.239 664 G C -1.665 173.281 174.900 0.076 0.000 1.240 664 G CA -0.642 44.510 45.100 0.087 0.000 0.842 664 G HN 0.829 nan 8.290 nan 0.000 0.584 665 P HA 0.163 nan 4.420 nan 0.000 0.246 665 P C -0.353 177.010 177.300 0.105 0.000 1.686 665 P CA -0.089 63.091 63.100 0.133 0.000 0.867 665 P CB -0.203 31.637 31.700 0.233 0.000 1.733 666 C N 0.589 119.924 119.300 0.058 0.000 2.701 666 C HA 0.489 4.763 4.460 -0.310 0.000 0.336 666 C C -1.792 173.191 174.990 -0.011 0.000 1.123 666 C CA -2.168 56.865 59.018 0.025 0.000 1.326 666 C CB 1.662 29.443 27.740 0.069 0.000 1.833 666 C HN -0.003 nan 8.230 nan 0.000 0.473 667 P HA -0.132 nan 4.420 nan 0.000 0.218 667 P C 1.585 178.858 177.300 -0.046 0.000 1.146 667 P CA 1.014 64.094 63.100 -0.034 0.000 0.813 667 P CB 0.087 31.769 31.700 -0.029 0.000 0.778 668 L N -0.750 120.454 121.223 -0.031 0.000 2.049 668 L HA -0.052 4.102 4.340 -0.310 0.000 0.203 668 L C 1.995 178.728 176.870 -0.228 0.000 1.074 668 L CA 1.763 56.565 54.840 -0.063 0.000 0.749 668 L CB -1.330 40.788 42.059 0.099 0.000 0.907 668 L HN -0.016 nan 8.230 nan 0.000 0.439 669 L N -0.535 120.544 121.223 -0.239 0.000 2.265 669 L HA -0.233 3.921 4.340 -0.310 0.000 0.215 669 L C 2.571 179.184 176.870 -0.430 0.000 1.117 669 L CA 0.929 55.504 54.840 -0.442 0.000 0.782 669 L CB -0.377 41.580 42.059 -0.171 0.000 0.914 669 L HN 0.432 nan 8.230 nan 0.000 0.441 670 Q N -0.337 119.334 119.800 -0.215 0.000 2.096 670 Q HA -0.173 3.981 4.340 -0.310 0.000 0.197 670 Q C 2.253 178.145 176.000 -0.180 0.000 0.964 670 Q CA 0.968 56.685 55.803 -0.143 0.000 0.838 670 Q CB -0.073 28.629 28.738 -0.060 0.000 0.906 670 Q HN 0.341 nan 8.270 nan 0.000 0.444 671 L N 0.571 121.684 121.223 -0.183 0.000 2.013 671 L HA -0.230 3.924 4.340 -0.310 0.000 0.212 671 L C 1.898 178.622 176.870 -0.244 0.000 1.073 671 L CA 1.524 56.262 54.840 -0.171 0.000 0.753 671 L CB -0.498 41.471 42.059 -0.150 0.000 0.890 671 L HN 0.176 nan 8.230 nan 0.000 0.432 672 L N 0.157 121.142 121.223 -0.398 0.000 2.043 672 L HA -0.154 3.999 4.340 -0.310 0.000 0.212 672 L C 2.546 179.215 176.870 -0.335 0.000 1.075 672 L CA 2.126 56.669 54.840 -0.495 0.000 0.752 672 L CB -1.891 39.566 42.059 -1.004 0.000 0.891 672 L HN 0.438 nan 8.230 nan 0.000 0.432 673 G N -1.605 107.016 108.800 -0.298 0.000 2.404 673 G HA2 -0.269 3.505 3.960 -0.310 0.000 0.215 673 G HA3 -0.269 3.505 3.960 -0.310 0.000 0.215 673 G C 1.837 176.683 174.900 -0.089 0.000 1.174 673 G CA 0.652 45.731 45.100 -0.036 0.000 0.780 673 G HN 0.286 nan 8.290 nan 0.000 0.537 674 R N 0.008 120.438 120.500 -0.118 0.000 2.080 674 R HA -0.087 4.067 4.340 -0.310 0.000 0.236 674 R C 2.769 178.991 176.300 -0.130 0.000 1.137 674 R CA 1.137 57.170 56.100 -0.111 0.000 0.943 674 R CB -0.188 30.059 30.300 -0.088 0.000 0.846 674 R HN 0.107 nan 8.270 nan 0.000 0.431 675 R N 0.256 120.676 120.500 -0.132 0.000 2.083 675 R HA -0.062 4.092 4.340 -0.310 0.000 0.237 675 R C 2.379 178.606 176.300 -0.123 0.000 1.137 675 R CA 1.643 57.667 56.100 -0.126 0.000 0.951 675 R CB -0.843 29.373 30.300 -0.140 0.000 0.851 675 R HN 0.251 nan 8.270 nan 0.000 0.434 676 S N 1.350 116.986 115.700 -0.108 0.000 2.359 676 S HA -0.161 4.123 4.470 -0.310 0.000 0.222 676 S C 1.691 176.202 174.600 -0.148 0.000 1.038 676 S CA 1.776 59.928 58.200 -0.081 0.000 1.051 676 S CB -0.507 62.683 63.200 -0.016 0.000 0.944 676 S HN 0.501 nan 8.310 nan 0.000 0.433 677 N N 1.211 119.772 118.700 -0.231 0.000 2.094 677 N HA -0.099 4.455 4.740 -0.310 0.000 0.191 677 N C 1.764 176.811 175.510 -0.772 0.000 1.023 677 N CA 1.158 53.907 53.050 -0.501 0.000 0.857 677 N CB -0.379 37.808 38.487 -0.500 0.000 1.013 677 N HN 0.243 nan 8.380 nan 0.000 0.426 678 L N 0.937 121.891 121.223 -0.450 0.000 2.042 678 L HA -0.226 3.928 4.340 -0.310 0.000 0.210 678 L C 2.643 179.444 176.870 -0.115 0.000 1.076 678 L CA 1.081 55.773 54.840 -0.247 0.000 0.749 678 L CB -0.554 41.454 42.059 -0.085 0.000 0.893 678 L HN 0.251 nan 8.230 nan 0.000 0.432 679 A N -0.430 122.334 122.820 -0.094 0.000 1.865 679 A HA -0.186 3.948 4.320 -0.310 0.000 0.217 679 A C 2.271 179.876 177.584 0.034 0.000 1.191 679 A CA 1.999 54.031 52.037 -0.008 0.000 0.623 679 A CB -0.945 18.050 19.000 -0.008 0.000 0.826 679 A HN 0.214 nan 8.150 nan 0.000 0.444 680 V N -0.900 119.008 119.914 -0.009 0.000 2.392 680 V HA -0.289 3.645 4.120 -0.310 0.000 0.249 680 V C 2.464 178.714 176.094 0.261 0.000 1.059 680 V CA 1.985 64.354 62.300 0.116 0.000 1.051 680 V CB -1.121 30.786 31.823 0.140 0.000 0.658 680 V HN 0.637 nan 8.190 nan 0.000 0.455 681 Y N 0.877 121.259 120.300 0.136 0.000 2.163 681 Y HA -0.179 4.185 4.550 -0.310 0.000 0.288 681 Y C 2.690 178.657 175.900 0.112 0.000 1.136 681 Y CA 0.920 59.099 58.100 0.131 0.000 1.147 681 Y CB -1.278 37.243 38.460 0.101 0.000 0.987 681 Y HN 0.352 nan 8.280 nan 0.000 0.509 682 Q N -0.168 119.786 119.800 0.257 0.000 2.096 682 Q HA -0.252 3.902 4.340 -0.310 0.000 0.204 682 Q C 1.790 177.890 176.000 0.166 0.000 0.982 682 Q CA 1.830 57.737 55.803 0.174 0.000 0.850 682 Q CB -0.403 28.413 28.738 0.131 0.000 0.901 682 Q HN 0.451 nan 8.270 nan 0.000 0.422 683 D N 0.644 121.148 120.400 0.173 0.000 2.092 683 D HA -0.166 4.288 4.640 -0.310 0.000 0.193 683 D C 1.816 178.213 176.300 0.162 0.000 0.994 683 D CA 1.150 55.252 54.000 0.170 0.000 0.828 683 D CB -0.077 40.808 40.800 0.143 0.000 0.963 683 D HN 0.129 nan 8.370 nan 0.000 0.450 684 L N 0.102 121.431 121.223 0.177 0.000 1.989 684 L HA -0.172 3.982 4.340 -0.310 0.000 0.211 684 L C 2.704 179.648 176.870 0.124 0.000 1.071 684 L CA 1.269 56.202 54.840 0.155 0.000 0.749 684 L CB -0.817 41.371 42.059 0.216 0.000 0.890 684 L HN 0.087 nan 8.230 nan 0.000 0.431 685 A N 0.124 123.018 122.820 0.124 0.000 1.873 685 A HA -0.253 3.881 4.320 -0.310 0.000 0.218 685 A C 2.185 179.807 177.584 0.064 0.000 1.193 685 A CA 1.859 53.941 52.037 0.076 0.000 0.629 685 A CB -0.835 18.210 19.000 0.075 0.000 0.826 685 A HN 0.280 nan 8.150 nan 0.000 0.447 686 L N 0.878 122.160 121.223 0.099 0.000 2.043 686 L HA -0.204 3.949 4.340 -0.310 0.000 0.212 686 L C 2.956 179.929 176.870 0.170 0.000 1.075 686 L CA 2.549 57.467 54.840 0.129 0.000 0.752 686 L CB -0.974 41.202 42.059 0.196 0.000 0.891 686 L HN 0.638 nan 8.230 nan 0.000 0.432 687 S N -1.895 113.898 115.700 0.155 0.000 2.500 687 S HA -0.148 4.136 4.470 -0.310 0.000 0.239 687 S C 1.557 176.242 174.600 0.142 0.000 0.989 687 S CA 0.639 58.931 58.200 0.153 0.000 0.951 687 S CB -0.220 63.051 63.200 0.117 0.000 0.759 687 S HN 0.515 nan 8.310 nan 0.000 0.523 688 Q N -0.212 119.637 119.800 0.082 0.000 2.352 688 Q HA 0.287 4.441 4.340 -0.310 0.000 0.212 688 Q C 2.058 178.011 176.000 -0.079 0.000 0.888 688 Q CA 0.237 56.055 55.803 0.026 0.000 0.934 688 Q CB -0.751 27.996 28.738 0.014 0.000 1.093 688 Q HN 0.606 nan 8.270 nan 0.000 0.523 689 C N 0.660 119.889 119.300 -0.119 0.000 2.413 689 C HA -0.155 4.119 4.460 -0.310 0.000 0.276 689 C C 2.597 177.229 174.990 -0.595 0.000 1.248 689 C CA 0.955 59.699 59.018 -0.457 0.000 1.742 689 C CB -1.049 26.372 27.740 -0.532 0.000 2.017 689 C HN 0.588 nan 8.230 nan 0.000 0.481 690 H N 0.560 119.535 119.070 -0.158 0.000 2.353 690 H HA -0.086 4.283 4.556 -0.311 0.000 0.300 690 H C 2.383 177.637 175.328 -0.123 0.000 1.090 690 H CA 2.015 58.029 56.048 -0.056 0.000 1.327 690 H CB -0.550 29.170 29.762 -0.071 0.000 1.383 690 H HN 0.487 nan 8.280 nan 0.000 0.508 691 G N 0.070 108.848 108.800 -0.037 0.000 2.422 691 G HA2 -0.156 3.618 3.960 -0.310 0.000 0.218 691 G HA3 -0.156 3.618 3.960 -0.310 0.000 0.218 691 G C 1.917 176.767 174.900 -0.084 0.000 1.140 691 G CA 0.790 45.859 45.100 -0.051 0.000 0.775 691 G HN 0.352 nan 8.290 nan 0.000 0.545 692 V N 0.332 120.152 119.914 -0.157 0.000 2.515 692 V HA -0.046 3.888 4.120 -0.310 0.000 0.250 692 V C 2.395 178.481 176.094 -0.013 0.000 1.058 692 V CA 1.141 63.370 62.300 -0.119 0.000 1.064 692 V CB -0.504 31.205 31.823 -0.190 0.000 0.675 692 V HN 0.280 nan 8.190 nan 0.000 0.461 693 F N 0.721 120.616 119.950 -0.091 0.000 2.270 693 F HA 0.379 4.719 4.527 -0.312 0.000 0.295 693 F C 1.743 177.421 175.800 -0.202 0.000 1.087 693 F CA -0.344 57.564 58.000 -0.153 0.000 1.365 693 F CB -1.345 37.550 39.000 -0.176 0.000 1.056 693 F HN 0.042 nan 8.300 nan 0.000 0.506 694 A N 0.618 123.405 122.820 -0.056 0.000 2.592 694 A HA 0.312 4.446 4.320 -0.310 0.000 0.250 694 A C 1.499 179.071 177.584 -0.021 0.000 1.017 694 A CA 0.777 52.761 52.037 -0.087 0.000 0.794 694 A CB -1.157 17.794 19.000 -0.082 0.000 0.917 694 A HN 1.089 nan 8.150 nan 0.000 0.515 695 G N 1.976 110.769 108.800 -0.012 0.000 2.350 695 G HA2 -0.104 3.670 3.960 -0.310 0.000 0.298 695 G HA3 -0.104 3.670 3.960 -0.310 0.000 0.298 695 G C -0.168 174.738 174.900 0.010 0.000 1.037 695 G CA 0.615 45.718 45.100 0.005 0.000 1.074 695 G HN 1.050 nan 8.290 nan 0.000 0.511 696 Q N -0.895 118.893 119.800 -0.019 0.000 2.377 696 Q HA 0.469 4.623 4.340 -0.310 0.000 0.279 696 Q C -0.473 175.489 176.000 -0.064 0.000 1.049 696 Q CA -0.608 55.191 55.803 -0.005 0.000 0.825 696 Q CB 1.792 30.499 28.738 -0.053 0.000 1.401 696 Q HN 0.368 nan 8.270 nan 0.000 0.404 697 S N 1.146 116.840 115.700 -0.009 0.000 2.701 697 S HA 0.116 4.400 4.470 -0.310 0.000 0.317 697 S C 0.824 175.305 174.600 -0.198 0.000 1.149 697 S CA -0.178 57.971 58.200 -0.084 0.000 1.052 697 S CB -0.145 63.047 63.200 -0.013 0.000 1.257 697 S HN 0.465 nan 8.310 nan 0.000 0.532 698 V N 4.747 124.382 119.914 -0.465 0.000 3.444 698 V HA 0.046 3.980 4.120 -0.310 0.000 0.271 698 V C 1.469 177.167 176.094 -0.659 0.000 1.188 698 V CA 1.432 63.138 62.300 -0.990 0.000 1.168 698 V CB -0.416 30.814 31.823 -0.988 0.000 0.810 698 V HN 0.827 nan 8.190 nan 0.000 0.500 699 E N -0.146 119.802 120.200 -0.420 0.000 2.476 699 E HA 0.208 4.372 4.350 -0.310 0.000 0.196 699 E C 1.190 177.738 176.600 -0.087 0.000 1.029 699 E CA 0.075 56.251 56.400 -0.373 0.000 0.896 699 E CB 0.413 29.707 29.700 -0.676 0.000 1.012 699 E HN 0.588 nan 8.360 nan 0.000 0.475 700 G N 1.414 110.225 108.800 0.019 0.000 2.391 700 G HA2 -0.194 3.580 3.960 -0.310 0.000 0.234 700 G HA3 -0.194 3.580 3.960 -0.310 0.000 0.234 700 G C 0.712 175.714 174.900 0.170 0.000 1.284 700 G CA -0.125 45.055 45.100 0.133 0.000 0.873 700 G HN 0.183 nan 8.290 nan 0.000 0.549 701 R N 1.870 122.442 120.500 0.122 0.000 2.133 701 R HA -0.199 3.955 4.340 -0.310 0.000 0.245 701 R C 0.972 177.363 176.300 0.151 0.000 1.137 701 R CA 1.953 58.123 56.100 0.117 0.000 0.947 701 R CB -0.072 30.277 30.300 0.082 0.000 0.865 701 R HN 0.711 nan 8.270 nan 0.000 0.437 702 N N -0.081 118.717 118.700 0.162 0.000 2.735 702 N HA -0.049 4.505 4.740 -0.310 0.000 0.312 702 N C 0.253 175.889 175.510 0.210 0.000 1.843 702 N CA -0.310 52.837 53.050 0.162 0.000 0.945 702 N CB -0.180 38.367 38.487 0.100 0.000 1.299 702 N HN 0.152 nan 8.380 nan 0.000 0.489 703 F N 2.079 122.116 119.950 0.146 0.000 2.161 703 F HA -0.033 4.307 4.527 -0.311 0.000 0.300 703 F C 2.086 178.040 175.800 0.257 0.000 1.089 703 F CA 1.424 59.565 58.000 0.235 0.000 1.282 703 F CB 0.210 39.315 39.000 0.174 0.000 1.010 703 F HN 0.128 nan 8.300 nan 0.000 0.485 704 R N 0.073 120.721 120.500 0.247 0.000 2.080 704 R HA -0.203 3.951 4.340 -0.310 0.000 0.236 704 R C 1.913 178.228 176.300 0.025 0.000 1.137 704 R CA 1.675 57.858 56.100 0.138 0.000 0.943 704 R CB -0.654 29.738 30.300 0.153 0.000 0.846 704 R HN 0.279 nan 8.270 nan 0.000 0.431 705 N N 0.510 119.224 118.700 0.024 0.000 2.396 705 N HA -0.116 4.438 4.740 -0.310 0.000 0.180 705 N C 1.553 176.993 175.510 -0.117 0.000 1.028 705 N CA 0.955 53.989 53.050 -0.027 0.000 0.893 705 N CB 0.103 38.595 38.487 0.008 0.000 0.967 705 N HN 0.385 nan 8.380 nan 0.000 0.440 706 Q N -1.340 118.362 119.800 -0.163 0.000 2.163 706 Q HA 0.071 4.224 4.340 -0.310 0.000 0.198 706 Q C 0.632 176.226 176.000 -0.677 0.000 0.954 706 Q CA 0.889 56.456 55.803 -0.394 0.000 0.851 706 Q CB 0.181 28.684 28.738 -0.393 0.000 0.928 706 Q HN 0.344 nan 8.270 nan 0.000 0.459 707 F N -1.066 118.639 119.950 -0.409 0.000 2.746 707 F HA 0.104 4.445 4.527 -0.311 0.000 0.313 707 F C 2.008 177.674 175.800 -0.222 0.000 1.095 707 F CA -0.213 57.573 58.000 -0.356 0.000 1.224 707 F CB 0.318 38.984 39.000 -0.558 0.000 1.060 707 F HN -0.062 nan 8.300 nan 0.000 0.584 708 Q N 1.910 121.687 119.800 -0.039 0.000 2.133 708 Q HA -0.174 3.980 4.340 -0.310 0.000 0.208 708 Q C -0.906 175.051 176.000 -0.072 0.000 0.991 708 Q CA 2.351 58.132 55.803 -0.038 0.000 0.867 708 Q CB -1.476 27.230 28.738 -0.054 0.000 0.911 708 Q HN 0.147 nan 8.270 nan 0.000 0.417 709 P HA -0.185 nan 4.420 nan 0.000 0.217 709 P C 1.077 178.322 177.300 -0.091 0.000 1.151 709 P CA 1.534 64.558 63.100 -0.127 0.000 0.849 709 P CB -0.022 31.583 31.700 -0.158 0.000 0.787 710 V N -0.794 119.088 119.914 -0.054 0.000 2.283 710 V HA -0.182 3.752 4.120 -0.310 0.000 0.243 710 V C 2.368 178.448 176.094 -0.024 0.000 1.039 710 V CA 1.378 63.668 62.300 -0.016 0.000 1.016 710 V CB -1.386 30.482 31.823 0.075 0.000 0.650 710 V HN 0.035 nan 8.190 nan 0.000 0.449 711 L N 0.715 121.930 121.223 -0.013 0.000 2.043 711 L HA -0.217 3.937 4.340 -0.310 0.000 0.212 711 L C 2.599 179.440 176.870 -0.048 0.000 1.075 711 L CA 2.209 57.031 54.840 -0.030 0.000 0.752 711 L CB -0.817 41.228 42.059 -0.024 0.000 0.891 711 L HN 0.243 nan 8.230 nan 0.000 0.432 712 R N -0.357 120.106 120.500 -0.062 0.000 2.083 712 R HA -0.241 3.913 4.340 -0.310 0.000 0.237 712 R C 2.557 178.788 176.300 -0.114 0.000 1.137 712 R CA 2.107 58.156 56.100 -0.085 0.000 0.951 712 R CB -0.405 29.835 30.300 -0.100 0.000 0.851 712 R HN 0.429 nan 8.270 nan 0.000 0.434 713 R N 0.232 120.667 120.500 -0.109 0.000 2.096 713 R HA -0.061 4.093 4.340 -0.310 0.000 0.235 713 R C 2.361 178.583 176.300 -0.130 0.000 1.127 713 R CA 1.353 57.375 56.100 -0.130 0.000 0.968 713 R CB -0.064 30.174 30.300 -0.103 0.000 0.861 713 R HN 0.236 nan 8.270 nan 0.000 0.440 714 R N -0.175 120.272 120.500 -0.088 0.000 2.148 714 R HA -0.067 4.087 4.340 -0.310 0.000 0.227 714 R C 2.112 178.363 176.300 -0.082 0.000 1.103 714 R CA 1.184 57.241 56.100 -0.071 0.000 0.983 714 R CB -0.063 30.216 30.300 -0.035 0.000 0.874 714 R HN 0.154 nan 8.270 nan 0.000 0.451 715 V N 1.088 120.947 119.914 -0.092 0.000 2.302 715 V HA -0.215 3.719 4.120 -0.310 0.000 0.243 715 V C 2.453 178.434 176.094 -0.189 0.000 1.036 715 V CA 1.419 63.674 62.300 -0.076 0.000 1.020 715 V CB -0.337 31.456 31.823 -0.050 0.000 0.657 715 V HN 0.228 nan 8.190 nan 0.000 0.453 716 M N -0.056 119.328 119.600 -0.360 0.000 2.195 716 M HA -0.222 4.072 4.480 -0.310 0.000 0.260 716 M C 1.894 177.765 176.300 -0.715 0.000 1.066 716 M CA 1.637 56.431 55.300 -0.845 0.000 1.089 716 M CB -1.292 30.912 32.600 -0.660 0.000 1.377 716 M HN 0.368 nan 8.290 nan 0.000 0.411 717 D N 0.316 120.514 120.400 -0.337 0.000 2.221 717 D HA -0.121 4.333 4.640 -0.310 0.000 0.204 717 D C 1.942 178.172 176.300 -0.117 0.000 0.982 717 D CA 1.098 54.974 54.000 -0.206 0.000 0.857 717 D CB -0.229 40.485 40.800 -0.142 0.000 0.934 717 D HN 0.432 nan 8.370 nan 0.000 0.475 718 M N -0.179 119.387 119.600 -0.057 0.000 2.374 718 M HA -0.082 4.212 4.480 -0.310 0.000 0.264 718 M C 0.108 176.539 176.300 0.219 0.000 1.067 718 M CA 0.226 55.570 55.300 0.074 0.000 1.103 718 M CB -0.094 32.584 32.600 0.131 0.000 1.402 718 M HN -0.174 nan 8.290 nan 0.000 0.444 719 F N 3.178 123.106 119.950 -0.036 0.000 2.604 719 F HA -0.115 4.225 4.527 -0.311 0.000 0.390 719 F C 1.082 176.860 175.800 -0.037 0.000 1.053 719 F CA 0.085 58.057 58.000 -0.047 0.000 1.256 719 F CB -0.911 38.051 39.000 -0.063 0.000 0.996 719 F HN 0.337 nan 8.300 nan 0.000 0.564 720 N N 2.150 120.917 118.700 0.111 0.000 2.705 720 N HA -0.291 4.263 4.740 -0.310 0.000 0.255 720 N C 0.093 175.665 175.510 0.102 0.000 1.008 720 N CA 0.647 53.739 53.050 0.069 0.000 0.742 720 N CB -0.987 37.529 38.487 0.049 0.000 0.906 720 N HN 0.619 nan 8.380 nan 0.000 0.541 721 N N -0.938 117.834 118.700 0.121 0.000 2.305 721 N HA 0.241 4.794 4.740 -0.310 0.000 0.248 721 N C 1.210 176.859 175.510 0.231 0.000 1.290 721 N CA 0.797 53.932 53.050 0.142 0.000 0.873 721 N CB 0.729 39.229 38.487 0.022 0.000 1.261 721 N HN 0.569 nan 8.380 nan 0.000 0.504 722 G N 0.404 109.329 108.800 0.208 0.000 2.612 722 G HA2 -0.261 3.513 3.960 -0.310 0.000 0.200 722 G HA3 -0.261 3.513 3.960 -0.310 0.000 0.200 722 G C 0.364 175.415 174.900 0.253 0.000 1.053 722 G CA 0.178 45.412 45.100 0.224 0.000 0.707 722 G HN 0.313 nan 8.290 nan 0.000 0.497 723 F N 1.093 121.085 119.950 0.069 0.000 2.532 723 F HA 0.600 4.940 4.527 -0.311 0.000 0.276 723 F C 0.683 176.520 175.800 0.060 0.000 0.911 723 F CA -0.119 57.920 58.000 0.064 0.000 1.196 723 F CB 0.145 39.180 39.000 0.059 0.000 1.087 723 F HN 0.024 nan 8.300 nan 0.000 0.775 724 L N 2.028 123.187 121.223 -0.107 0.000 2.325 724 L HA 0.235 4.389 4.340 -0.310 0.000 0.284 724 L C 0.201 176.984 176.870 -0.146 0.000 1.089 724 L CA -0.394 54.311 54.840 -0.225 0.000 0.836 724 L CB 0.747 42.792 42.059 -0.024 0.000 1.184 724 L HN 0.113 nan 8.230 nan 0.000 0.444 725 S N 3.346 118.928 115.700 -0.198 0.000 2.489 725 S HA 0.723 5.007 4.470 -0.310 0.000 0.277 725 S C -0.190 174.260 174.600 -0.251 0.000 1.230 725 S CA -0.500 57.608 58.200 -0.153 0.000 1.053 725 S CB 0.933 64.063 63.200 -0.118 0.000 0.955 725 S HN 0.683 nan 8.310 nan 0.000 0.488 726 A N 4.245 126.901 122.820 -0.274 0.000 2.469 726 A HA 0.868 5.002 4.320 -0.310 0.000 0.299 726 A C -0.823 176.531 177.584 -0.383 0.000 1.098 726 A CA -0.983 50.775 52.037 -0.464 0.000 0.737 726 A CB 1.447 20.024 19.000 -0.705 0.000 1.312 726 A HN 0.906 nan 8.150 nan 0.000 0.414 727 K N -0.204 119.850 120.400 -0.576 0.000 2.482 727 K HA 0.808 4.942 4.320 -0.310 0.000 0.257 727 K C -1.214 175.102 176.600 -0.473 0.000 0.969 727 K CA -0.479 55.526 56.287 -0.470 0.000 0.842 727 K CB 2.089 34.299 32.500 -0.483 0.000 1.359 727 K HN 0.421 nan 8.250 nan 0.000 0.441 728 T N 1.881 116.290 114.554 -0.242 0.000 2.885 728 T HA 0.577 4.741 4.350 -0.310 0.000 0.285 728 T C -0.919 173.745 174.700 -0.060 0.000 1.019 728 T CA -0.732 61.298 62.100 -0.117 0.000 1.010 728 T CB 0.690 69.533 68.868 -0.042 0.000 1.022 728 T HN 0.442 nan 8.240 nan 0.000 0.466 729 L N 1.079 122.312 121.223 0.018 0.000 2.409 729 L HA 0.635 4.789 4.340 -0.310 0.000 0.255 729 L C -0.546 176.356 176.870 0.054 0.000 1.027 729 L CA -0.925 53.942 54.840 0.046 0.000 0.834 729 L CB 2.867 44.985 42.059 0.099 0.000 1.426 729 L HN 0.543 nan 8.230 nan 0.000 0.411 730 T N 0.972 115.553 114.554 0.044 0.000 2.812 730 T HA 0.478 4.642 4.350 -0.310 0.000 0.282 730 T C -0.751 173.974 174.700 0.042 0.000 0.990 730 T CA -0.327 61.798 62.100 0.041 0.000 0.960 730 T CB 1.823 70.709 68.868 0.030 0.000 0.948 730 T HN 0.162 nan 8.240 nan 0.000 0.438 731 V N 3.366 123.306 119.914 0.044 0.000 2.311 731 V HA 0.713 4.647 4.120 -0.310 0.000 0.275 731 V C 0.441 176.558 176.094 0.039 0.000 1.022 731 V CA -0.691 61.635 62.300 0.043 0.000 0.830 731 V CB 0.638 32.488 31.823 0.045 0.000 1.012 731 V HN 1.065 nan 8.190 nan 0.000 0.452 732 A N 5.806 128.648 122.820 0.037 0.000 2.261 732 A HA 0.924 5.058 4.320 -0.310 0.000 0.323 732 A C -0.523 177.083 177.584 0.037 0.000 1.107 732 A CA -0.720 51.338 52.037 0.035 0.000 0.883 732 A CB 0.904 19.922 19.000 0.031 0.000 1.251 732 A HN 0.732 nan 8.150 nan 0.000 0.502 733 L N 0.594 121.839 121.223 0.036 0.000 2.334 733 L HA 0.340 4.494 4.340 -0.310 0.000 0.275 733 L C 0.575 177.467 176.870 0.035 0.000 1.036 733 L CA -0.615 54.248 54.840 0.038 0.000 0.807 733 L CB 1.606 43.688 42.059 0.038 0.000 1.231 733 L HN 0.693 nan 8.230 nan 0.000 0.438 734 S N 1.116 116.838 115.700 0.037 0.000 2.593 734 S HA -0.096 4.188 4.470 -0.310 0.000 0.300 734 S C 0.312 174.930 174.600 0.030 0.000 1.267 734 S CA 0.048 58.268 58.200 0.033 0.000 1.065 734 S CB -0.055 63.166 63.200 0.034 0.000 0.807 734 S HN 0.529 nan 8.310 nan 0.000 0.499 735 E N 1.964 122.179 120.200 0.026 0.000 2.924 735 E HA 0.066 4.230 4.350 -0.310 0.000 0.236 735 E C 1.033 177.647 176.600 0.023 0.000 1.028 735 E CA 0.403 56.817 56.400 0.023 0.000 0.952 735 E CB -0.525 29.187 29.700 0.020 0.000 0.918 735 E HN 0.921 nan 8.360 nan 0.000 0.536 736 G N 3.479 112.293 108.800 0.023 0.000 2.386 736 G HA2 -0.196 3.578 3.960 -0.310 0.000 0.295 736 G HA3 -0.196 3.578 3.960 -0.310 0.000 0.295 736 G C -0.079 174.837 174.900 0.026 0.000 0.979 736 G CA 0.276 45.390 45.100 0.023 0.000 1.193 736 G HN 0.681 nan 8.290 nan 0.000 0.508 737 A N 0.856 123.695 122.820 0.032 0.000 2.293 737 A HA 0.956 5.090 4.320 -0.310 0.000 0.312 737 A C 0.843 178.454 177.584 0.045 0.000 1.309 737 A CA 0.599 52.658 52.037 0.037 0.000 0.839 737 A CB 0.674 19.697 19.000 0.038 0.000 1.155 737 A HN 2.340 nan 8.150 nan 0.000 0.501 738 A N 2.558 125.406 122.820 0.046 0.000 2.616 738 A HA 0.088 4.222 4.320 -0.310 0.000 0.242 738 A C 0.298 177.925 177.584 0.071 0.000 0.987 738 A CA 0.640 52.710 52.037 0.056 0.000 0.800 738 A CB -0.465 18.569 19.000 0.056 0.000 0.883 738 A HN 0.839 nan 8.150 nan 0.000 0.496 739 I N 3.795 124.414 120.570 0.082 0.000 2.234 739 I HA 0.073 4.057 4.170 -0.310 0.000 0.287 739 I C 0.060 176.261 176.117 0.140 0.000 1.131 739 I CA -0.401 60.955 61.300 0.094 0.000 1.335 739 I CB -0.406 37.653 38.000 0.099 0.000 1.511 739 I HN 0.591 nan 8.210 nan 0.000 0.588 740 C N 3.755 123.124 119.300 0.115 0.000 2.480 740 C HA 0.886 5.160 4.460 -0.310 0.000 0.358 740 C C 0.730 175.723 174.990 0.005 0.000 1.309 740 C CA -0.175 58.919 59.018 0.127 0.000 2.465 740 C CB 0.893 28.699 27.740 0.110 0.000 2.379 740 C HN 0.795 nan 8.230 nan 0.000 0.642 741 A N 1.166 123.939 122.820 -0.079 0.000 2.581 741 A HA 0.654 4.788 4.320 -0.310 0.000 0.294 741 A C -3.174 174.159 177.584 -0.417 0.000 1.035 741 A CA -0.881 50.856 52.037 -0.501 0.000 0.684 741 A CB -0.159 18.404 19.000 -0.728 0.000 1.282 741 A HN 0.542 nan 8.150 nan 0.000 0.417 742 P HA 0.105 nan 4.420 nan 0.000 0.267 742 P C 0.153 177.381 177.300 -0.119 0.000 1.195 742 P CA 0.423 63.265 63.100 -0.430 0.000 0.773 742 P CB 0.531 32.139 31.700 -0.153 0.000 0.837 743 S N 1.602 117.312 115.700 0.018 0.000 2.531 743 S HA 0.118 4.402 4.470 -0.310 0.000 0.279 743 S C 1.353 175.938 174.600 -0.025 0.000 1.305 743 S CA -0.433 57.776 58.200 0.016 0.000 1.058 743 S CB -0.417 62.803 63.200 0.033 0.000 0.899 743 S HN 0.290 nan 8.310 nan 0.000 0.493 744 L N 3.966 125.052 121.223 -0.228 0.000 2.478 744 L HA 0.027 4.181 4.340 -0.310 0.000 0.223 744 L C 2.201 178.972 176.870 -0.164 0.000 1.140 744 L CA 1.081 55.632 54.840 -0.482 0.000 0.842 744 L CB -0.601 40.750 42.059 -1.180 0.000 0.953 744 L HN 0.846 nan 8.230 nan 0.000 0.452 745 T N -5.336 109.160 114.554 -0.097 0.000 3.075 745 T HA 0.205 4.369 4.350 -0.310 0.000 0.251 745 T C 1.816 176.537 174.700 0.034 0.000 0.979 745 T CA 0.470 62.560 62.100 -0.018 0.000 1.033 745 T CB 0.062 68.893 68.868 -0.061 0.000 1.104 745 T HN 0.077 nan 8.240 nan 0.000 0.473 746 A N 1.673 124.510 122.820 0.028 0.000 2.121 746 A HA 0.571 4.705 4.320 -0.310 0.000 0.218 746 A C 1.521 179.147 177.584 0.070 0.000 1.154 746 A CA 0.942 53.005 52.037 0.044 0.000 0.679 746 A CB -1.161 17.861 19.000 0.037 0.000 0.795 746 A HN 1.655 nan 8.150 nan 0.000 0.458 747 G N -1.369 107.491 108.800 0.101 0.000 2.515 747 G HA2 0.006 3.780 3.960 -0.310 0.000 0.686 747 G HA3 0.006 3.780 3.960 -0.310 0.000 0.686 747 G C 0.057 175.052 174.900 0.158 0.000 1.274 747 G CA 0.014 45.170 45.100 0.093 0.000 0.874 747 G HN 0.837 nan 8.290 nan 0.000 0.631 748 Q N -1.308 118.580 119.800 0.146 0.000 2.444 748 Q HA 0.073 4.227 4.340 -0.310 0.000 0.206 748 Q C 1.332 177.484 176.000 0.253 0.000 0.948 748 Q CA 1.574 57.555 55.803 0.297 0.000 0.946 748 Q CB -0.067 28.847 28.738 0.293 0.000 1.027 748 Q HN 0.718 nan 8.270 nan 0.000 0.513 749 T N -1.865 112.773 114.554 0.139 0.000 3.023 749 T HA 0.483 4.647 4.350 -0.310 0.000 0.253 749 T C 0.640 175.379 174.700 0.064 0.000 1.038 749 T CA 0.093 62.232 62.100 0.065 0.000 0.962 749 T CB 0.591 69.484 68.868 0.042 0.000 1.018 749 T HN 0.364 nan 8.240 nan 0.000 0.521 750 A N 3.600 126.494 122.820 0.122 0.000 2.327 750 A HA 0.644 4.778 4.320 -0.310 0.000 0.283 750 A C -2.128 175.565 177.584 0.182 0.000 1.127 750 A CA -1.898 50.208 52.037 0.116 0.000 0.810 750 A CB 0.216 19.278 19.000 0.103 0.000 1.066 750 A HN 0.151 nan 8.150 nan 0.000 0.492 751 P HA 0.082 nan 4.420 nan 0.000 0.270 751 P C 0.028 177.466 177.300 0.229 0.000 1.216 751 P CA 0.385 63.578 63.100 0.155 0.000 0.788 751 P CB 0.412 32.163 31.700 0.084 0.000 0.883 752 A N 1.067 124.050 122.820 0.272 0.000 2.351 752 A HA 0.174 4.308 4.320 -0.310 0.000 0.257 752 A C 0.398 178.035 177.584 0.088 0.000 1.087 752 A CA -0.381 51.754 52.037 0.163 0.000 0.798 752 A CB -0.165 18.939 19.000 0.172 0.000 1.033 752 A HN 0.650 nan 8.150 nan 0.000 0.488 753 E N 1.054 121.295 120.200 0.068 0.000 2.156 753 E HA 0.410 4.574 4.350 -0.310 0.000 0.279 753 E C -0.947 175.661 176.600 0.013 0.000 0.965 753 E CA -0.200 56.189 56.400 -0.018 0.000 0.789 753 E CB 0.870 30.488 29.700 -0.137 0.000 1.098 753 E HN 0.466 nan 8.360 nan 0.000 0.397 754 S N 2.942 118.616 115.700 -0.043 0.000 2.669 754 S HA 0.360 4.644 4.470 -0.310 0.000 0.315 754 S C -0.083 174.467 174.600 -0.083 0.000 1.106 754 S CA 0.209 58.410 58.200 0.001 0.000 1.107 754 S CB 0.516 63.734 63.200 0.031 0.000 0.990 754 S HN 0.646 nan 8.310 nan 0.000 0.471 755 S N 3.947 119.575 115.700 -0.119 0.000 2.138 755 S HA 0.187 4.471 4.470 -0.310 0.000 0.214 755 S C -0.012 174.538 174.600 -0.083 0.000 0.829 755 S CA -0.342 57.771 58.200 -0.145 0.000 1.385 755 S CB -0.803 62.241 63.200 -0.261 0.000 0.905 755 S HN 0.462 nan 8.310 nan 0.000 0.374 756 F N 3.844 123.766 119.950 -0.046 0.000 2.585 756 F HA 0.269 4.610 4.527 -0.309 0.000 0.358 756 F C 1.170 176.955 175.800 -0.025 0.000 1.068 756 F CA 0.756 58.729 58.000 -0.045 0.000 1.301 756 F CB 0.256 39.217 39.000 -0.065 0.000 0.964 756 F HN 0.180 nan 8.300 nan 0.000 0.608 757 E N 0.880 121.202 120.200 0.204 0.000 2.214 757 E HA 0.643 4.807 4.350 -0.310 0.000 0.274 757 E C 0.202 176.861 176.600 0.098 0.000 0.977 757 E CA -0.482 55.986 56.400 0.112 0.000 0.827 757 E CB 1.828 31.575 29.700 0.078 0.000 1.130 757 E HN 0.694 nan 8.360 nan 0.000 0.394 758 G N 1.352 110.191 108.800 0.065 0.000 2.612 758 G HA2 0.571 4.345 3.960 -0.310 0.000 0.298 758 G HA3 0.571 4.345 3.960 -0.310 0.000 0.298 758 G C -1.478 173.445 174.900 0.038 0.000 1.336 758 G CA -0.716 44.409 45.100 0.043 0.000 0.953 758 G HN 0.498 nan 8.290 nan 0.000 0.482 759 D N 0.049 120.469 120.400 0.034 0.000 2.879 759 D HA 0.358 4.812 4.640 -0.310 0.000 0.236 759 D C -0.702 175.620 176.300 0.037 0.000 1.171 759 D CA -0.541 53.480 54.000 0.035 0.000 0.868 759 D CB 2.195 43.017 40.800 0.036 0.000 1.598 759 D HN 0.242 nan 8.370 nan 0.000 0.497 760 V N 1.635 121.572 119.914 0.038 0.000 2.530 760 V HA 0.322 4.256 4.120 -0.310 0.000 0.282 760 V C 1.542 177.663 176.094 0.045 0.000 1.048 760 V CA 0.121 62.446 62.300 0.042 0.000 0.997 760 V CB 0.914 32.762 31.823 0.041 0.000 0.987 760 V HN 0.889 nan 8.190 nan 0.000 0.477 761 A N 5.111 127.962 122.820 0.053 0.000 1.970 761 A HA 0.033 4.167 4.320 -0.310 0.000 0.216 761 A C 1.700 179.315 177.584 0.051 0.000 1.170 761 A CA 0.833 52.904 52.037 0.056 0.000 0.645 761 A CB -0.089 18.955 19.000 0.073 0.000 0.816 761 A HN 0.761 nan 8.150 nan 0.000 0.447 762 R N -0.172 120.358 120.500 0.050 0.000 2.791 762 R HA 0.285 4.439 4.340 -0.310 0.000 0.357 762 R C 0.925 177.254 176.300 0.048 0.000 1.173 762 R CA -0.010 56.118 56.100 0.047 0.000 1.060 762 R CB 0.324 30.650 30.300 0.044 0.000 1.406 762 R HN 0.285 nan 8.270 nan 0.000 0.580 763 V N 0.015 119.956 119.914 0.045 0.000 2.257 763 V HA -0.309 3.624 4.120 -0.310 0.000 0.257 763 V C 1.055 177.178 176.094 0.047 0.000 1.077 763 V CA 1.880 64.206 62.300 0.043 0.000 1.063 763 V CB -0.716 31.130 31.823 0.037 0.000 0.664 763 V HN 0.358 nan 8.190 nan 0.000 0.450 764 T N 2.310 116.893 114.554 0.048 0.000 2.744 764 T HA 0.625 4.789 4.350 -0.310 0.000 0.291 764 T C -0.442 174.305 174.700 0.077 0.000 0.957 764 T CA -0.197 61.936 62.100 0.054 0.000 1.002 764 T CB 1.132 70.025 68.868 0.042 0.000 0.919 764 T HN 0.128 nan 8.240 nan 0.000 0.468 765 L N 2.830 124.117 121.223 0.107 0.000 2.307 765 L HA 0.745 4.899 4.340 -0.310 0.000 0.284 765 L C 0.623 177.622 176.870 0.215 0.000 1.023 765 L CA -0.742 54.208 54.840 0.183 0.000 0.810 765 L CB 1.680 43.879 42.059 0.232 0.000 1.231 765 L HN 0.790 nan 8.230 nan 0.000 0.423 766 G N 3.274 112.235 108.800 0.268 0.000 2.683 766 G HA2 0.703 4.477 3.960 -0.310 0.000 0.299 766 G HA3 0.703 4.477 3.960 -0.310 0.000 0.299 766 G C -1.343 173.754 174.900 0.329 0.000 1.432 766 G CA -0.240 44.979 45.100 0.199 0.000 0.978 766 G HN 0.443 nan 8.290 nan 0.000 0.513 767 F N 0.605 120.492 119.950 -0.104 0.000 2.693 767 F HA 0.776 5.117 4.527 -0.310 0.000 0.309 767 F C -3.193 172.300 175.800 -0.512 0.000 1.129 767 F CA -3.086 54.762 58.000 -0.252 0.000 0.948 767 F CB 0.824 39.745 39.000 -0.132 0.000 1.315 767 F HN 0.267 nan 8.300 nan 0.000 0.447 768 P HA 0.249 nan 4.420 nan 0.000 0.271 768 P C -0.365 176.916 177.300 -0.032 0.000 1.216 768 P CA -0.184 62.683 63.100 -0.388 0.000 0.776 768 P CB 1.474 33.040 31.700 -0.224 0.000 0.881 769 K N 1.628 121.963 120.400 -0.108 0.000 2.380 769 K HA 0.097 4.231 4.320 -0.310 0.000 0.200 769 K C 0.272 176.912 176.600 0.067 0.000 1.201 769 K CA 0.374 56.701 56.287 0.067 0.000 0.916 769 K CB 0.694 33.131 32.500 -0.104 0.000 1.187 769 K HN 0.624 nan 8.250 nan 0.000 0.498 770 E N -0.013 120.156 120.200 -0.052 0.000 2.447 770 E HA 0.287 4.450 4.350 -0.310 0.000 0.279 770 E C -1.261 175.229 176.600 -0.183 0.000 1.053 770 E CA -0.905 55.450 56.400 -0.075 0.000 0.840 770 E CB 1.171 30.843 29.700 -0.046 0.000 1.409 770 E HN -0.067 nan 8.360 nan 0.000 0.461 771 L N 1.433 122.535 121.223 -0.201 0.000 2.298 771 L HA 0.481 4.635 4.340 -0.310 0.000 0.284 771 L C -0.170 176.587 176.870 -0.189 0.000 1.013 771 L CA -1.085 53.531 54.840 -0.373 0.000 0.824 771 L CB 1.247 43.115 42.059 -0.319 0.000 1.221 771 L HN 0.329 nan 8.230 nan 0.000 0.418 772 R N 3.163 123.564 120.500 -0.164 0.000 2.309 772 R HA 0.205 4.359 4.340 -0.310 0.000 0.331 772 R C -0.399 176.015 176.300 0.190 0.000 1.116 772 R CA -0.188 55.935 56.100 0.038 0.000 0.970 772 R CB 1.120 31.461 30.300 0.068 0.000 1.024 772 R HN 0.407 nan 8.270 nan 0.000 0.472 773 V N 3.762 123.763 119.914 0.146 0.000 2.435 773 V HA 0.534 4.468 4.120 -0.310 0.000 0.290 773 V C -0.449 175.780 176.094 0.224 0.000 1.030 773 V CA -0.579 61.831 62.300 0.182 0.000 0.881 773 V CB 1.184 33.026 31.823 0.032 0.000 0.983 773 V HN 0.751 nan 8.190 nan 0.000 0.445 774 K N 3.593 124.162 120.400 0.282 0.000 2.508 774 K HA 0.751 4.885 4.320 -0.310 0.000 0.260 774 K C -1.264 175.540 176.600 0.341 0.000 0.949 774 K CA -0.659 55.815 56.287 0.311 0.000 0.834 774 K CB 2.196 34.826 32.500 0.217 0.000 1.365 774 K HN 0.582 nan 8.250 nan 0.000 0.437 775 S N 1.071 116.966 115.700 0.325 0.000 2.672 775 S HA 0.279 4.563 4.470 -0.310 0.000 0.291 775 S C -0.925 173.754 174.600 0.131 0.000 1.145 775 S CA -0.857 57.483 58.200 0.233 0.000 1.013 775 S CB 1.171 64.475 63.200 0.173 0.000 1.017 775 S HN 0.690 nan 8.310 nan 0.000 0.487 776 R N 3.884 124.431 120.500 0.080 0.000 2.502 776 R HA 0.163 4.316 4.340 -0.310 0.000 0.292 776 R C 0.784 177.080 176.300 -0.007 0.000 0.998 776 R CA 0.193 56.302 56.100 0.015 0.000 1.056 776 R CB 0.135 30.437 30.300 0.004 0.000 0.939 776 R HN 0.589 nan 8.270 nan 0.000 0.411 777 V N 5.265 125.118 119.914 -0.101 0.000 2.302 777 V HA -0.087 3.847 4.120 -0.310 0.000 0.243 777 V C 1.234 177.297 176.094 -0.052 0.000 1.036 777 V CA 1.094 63.314 62.300 -0.134 0.000 1.020 777 V CB -0.377 31.265 31.823 -0.301 0.000 0.657 777 V HN 0.612 nan 8.190 nan 0.000 0.453 778 L N -0.204 120.970 121.223 -0.082 0.000 2.375 778 L HA 0.314 4.468 4.340 -0.310 0.000 0.271 778 L C 0.190 177.022 176.870 -0.065 0.000 1.107 778 L CA -0.471 54.330 54.840 -0.066 0.000 0.806 778 L CB 1.146 43.153 42.059 -0.087 0.000 1.146 778 L HN 0.256 nan 8.230 nan 0.000 0.447 800 A N 0.135 122.911 122.820 -0.074 0.000 2.387 800 A HA 0.441 4.574 4.320 -0.310 0.000 0.234 800 A C 0.413 177.932 177.584 -0.108 0.000 1.253 800 A CA 0.219 52.194 52.037 -0.103 0.000 0.894 800 A CB -0.494 18.380 19.000 -0.209 0.000 0.963 800 A HN 0.612 nan 8.150 nan 0.000 0.508 801 Y N -0.038 120.160 120.300 -0.170 0.000 2.468 801 Y HA 0.207 4.571 4.550 -0.310 0.000 0.268 801 Y C 1.092 177.137 175.900 0.242 0.000 1.177 801 Y CA -0.164 57.954 58.100 0.029 0.000 1.265 801 Y CB -0.121 38.178 38.460 -0.269 0.000 1.103 801 Y HN 0.357 nan 8.280 nan 0.000 0.522 802 Q N 2.204 122.204 119.800 0.333 0.000 2.262 802 Q HA -0.015 4.139 4.340 -0.310 0.000 0.272 802 Q C 0.148 176.109 176.000 -0.065 0.000 1.076 802 Q CA 0.013 55.916 55.803 0.167 0.000 0.905 802 Q CB 0.413 29.235 28.738 0.140 0.000 1.182 802 Q HN 0.132 nan 8.270 nan 0.000 0.390 803 K N 6.843 127.004 120.400 -0.397 0.000 2.382 803 K HA 0.122 4.256 4.320 -0.310 0.000 0.286 803 K C -2.047 174.440 176.600 -0.189 0.000 1.062 803 K CA -1.367 54.508 56.287 -0.686 0.000 1.000 803 K CB 0.440 32.489 32.500 -0.751 0.000 0.954 803 K HN 0.427 nan 8.250 nan 0.000 0.470 804 P HA -0.098 nan 4.420 nan 0.000 0.267 804 P C -0.179 177.107 177.300 -0.023 0.000 1.201 804 P CA 0.110 63.223 63.100 0.022 0.000 0.775 804 P CB 0.730 32.479 31.700 0.081 0.000 0.854 805 D N 0.734 121.118 120.400 -0.025 0.000 2.249 805 D HA -0.054 4.400 4.640 -0.310 0.000 0.205 805 D C 0.693 176.977 176.300 -0.027 0.000 0.962 805 D CA 0.343 54.320 54.000 -0.038 0.000 0.860 805 D CB 0.317 41.095 40.800 -0.036 0.000 0.955 805 D HN 0.378 nan 8.370 nan 0.000 0.505 806 K N 1.162 121.556 120.400 -0.010 0.000 2.485 806 K HA -0.004 4.130 4.320 -0.310 0.000 0.277 806 K C -0.064 176.532 176.600 -0.007 0.000 0.990 806 K CA -0.188 56.095 56.287 -0.007 0.000 0.994 806 K CB 0.722 33.222 32.500 0.001 0.000 0.906 806 K HN -0.155 nan 8.250 nan 0.000 0.488 807 R N 1.386 121.879 120.500 -0.012 0.000 2.679 807 R HA 0.160 4.314 4.340 -0.310 0.000 0.269 807 R C -0.581 175.715 176.300 -0.006 0.000 1.076 807 R CA -0.498 55.595 56.100 -0.013 0.000 1.160 807 R CB 0.913 31.203 30.300 -0.018 0.000 1.054 807 R HN 0.329 nan 8.270 nan 0.000 0.507 808 V N 1.800 121.711 119.914 -0.005 0.000 2.567 808 V HA 0.046 3.980 4.120 -0.310 0.000 0.289 808 V C 0.268 176.347 176.094 -0.025 0.000 1.049 808 V CA -0.535 61.763 62.300 -0.004 0.000 0.969 808 V CB 1.525 33.356 31.823 0.012 0.000 0.995 808 V HN 0.709 nan 8.190 nan 0.000 0.471 809 D N 2.465 122.847 120.400 -0.030 0.000 2.424 809 D HA 0.099 4.553 4.640 -0.310 0.000 0.244 809 D C 1.220 177.465 176.300 -0.091 0.000 1.134 809 D CA -0.004 53.968 54.000 -0.047 0.000 0.881 809 D CB 1.130 41.908 40.800 -0.036 0.000 1.191 809 D HN 0.452 nan 8.370 nan 0.000 0.445 810 I N 3.187 123.676 120.570 -0.135 0.000 2.315 810 I HA -0.297 3.686 4.170 -0.310 0.000 0.251 810 I C 2.107 178.026 176.117 -0.330 0.000 1.125 810 I CA 0.509 61.652 61.300 -0.262 0.000 1.392 810 I CB -0.080 37.671 38.000 -0.414 0.000 1.065 810 I HN 0.436 nan 8.210 nan 0.000 0.424 811 L N -0.065 120.995 121.223 -0.272 0.000 2.376 811 L HA -0.021 4.133 4.340 -0.310 0.000 0.219 811 L C 1.686 178.487 176.870 -0.115 0.000 1.133 811 L CA 1.634 56.339 54.840 -0.226 0.000 0.816 811 L CB -0.286 41.700 42.059 -0.122 0.000 0.933 811 L HN 0.215 nan 8.230 nan 0.000 0.449 812 L N -1.717 119.456 121.223 -0.083 0.000 3.014 812 L HA 0.337 4.491 4.340 -0.310 0.000 0.263 812 L C 1.028 177.880 176.870 -0.030 0.000 1.207 812 L CA -0.273 54.546 54.840 -0.034 0.000 1.017 812 L CB -0.037 42.010 42.059 -0.020 0.000 1.360 812 L HN 0.166 nan 8.230 nan 0.000 0.560 813 G N 0.366 109.123 108.800 -0.073 0.000 2.532 813 G HA2 0.279 4.053 3.960 -0.310 0.000 0.291 813 G HA3 0.279 4.053 3.960 -0.310 0.000 0.291 813 G C -1.568 173.275 174.900 -0.094 0.000 1.349 813 G CA -0.681 44.372 45.100 -0.079 0.000 1.038 813 G HN -0.110 nan 8.290 nan 0.000 0.518 814 P HA -0.088 nan 4.420 nan 0.000 0.218 814 P C 1.187 178.463 177.300 -0.039 0.000 1.146 814 P CA 1.216 64.124 63.100 -0.320 0.000 0.813 814 P CB 0.180 31.354 31.700 -0.877 0.000 0.778 815 L N -2.153 118.996 121.223 -0.124 0.000 2.693 815 L HA 0.305 4.458 4.340 -0.310 0.000 0.235 815 L C 2.562 179.224 176.870 -0.347 0.000 1.127 815 L CA 0.267 54.933 54.840 -0.290 0.000 0.914 815 L CB -0.701 41.176 42.059 -0.302 0.000 1.193 815 L HN -0.058 nan 8.230 nan 0.000 0.502 816 G N 2.087 110.787 108.800 -0.167 0.000 2.513 816 G HA2 -0.370 3.404 3.960 -0.310 0.000 0.219 816 G HA3 -0.370 3.404 3.960 -0.310 0.000 0.219 816 G C 1.395 176.253 174.900 -0.070 0.000 1.160 816 G CA 1.487 46.508 45.100 -0.132 0.000 0.767 816 G HN 0.502 nan 8.290 nan 0.000 0.571 817 F N 0.464 120.386 119.950 -0.047 0.000 2.171 817 F HA 0.117 4.458 4.527 -0.310 0.000 0.300 817 F C 2.226 178.052 175.800 0.043 0.000 1.090 817 F CA 0.858 58.854 58.000 -0.008 0.000 1.293 817 F CB -0.619 38.375 39.000 -0.009 0.000 1.013 817 F HN 0.096 nan 8.300 nan 0.000 0.486 818 L N 0.157 120.782 121.223 -0.997 0.000 2.044 818 L HA -0.093 4.061 4.340 -0.310 0.000 0.205 818 L C 2.640 179.462 176.870 -0.080 0.000 1.075 818 L CA 0.914 55.439 54.840 -0.526 0.000 0.747 818 L CB -0.588 40.997 42.059 -0.791 0.000 0.903 818 L HN 0.257 nan 8.230 nan 0.000 0.435 819 L N -0.302 120.838 121.223 -0.140 0.000 2.012 819 L HA -0.259 3.895 4.340 -0.310 0.000 0.210 819 L C 2.653 179.635 176.870 0.186 0.000 1.073 819 L CA 1.530 56.419 54.840 0.082 0.000 0.748 819 L CB -0.616 41.398 42.059 -0.075 0.000 0.891 819 L HN 0.247 nan 8.230 nan 0.000 0.431 820 K N -0.038 120.406 120.400 0.074 0.000 1.984 820 K HA -0.194 3.940 4.320 -0.310 0.000 0.209 820 K C 2.138 178.785 176.600 0.078 0.000 1.046 820 K CA 1.446 57.788 56.287 0.091 0.000 0.934 820 K CB -0.306 32.224 32.500 0.051 0.000 0.717 820 K HN 0.338 nan 8.250 nan 0.000 0.438 821 Q N -0.242 119.559 119.800 0.001 0.000 2.135 821 Q HA -0.128 4.026 4.340 -0.310 0.000 0.204 821 Q C 0.962 176.732 176.000 -0.383 0.000 0.981 821 Q CA 1.468 57.146 55.803 -0.208 0.000 0.856 821 Q CB -0.004 28.549 28.738 -0.309 0.000 0.902 821 Q HN 0.269 nan 8.270 nan 0.000 0.425 822 F N -1.600 118.367 119.950 0.027 0.000 2.772 822 F HA 0.164 4.505 4.527 -0.310 0.000 0.302 822 F C 1.242 177.065 175.800 0.037 0.000 1.136 822 F CA -0.395 57.606 58.000 0.003 0.000 1.322 822 F CB 0.144 39.105 39.000 -0.065 0.000 0.967 822 F HN 0.081 nan 8.300 nan 0.000 0.513 823 H N 1.472 120.624 119.070 0.136 0.000 2.265 823 H HA -0.216 4.154 4.556 -0.310 0.000 0.295 823 H C 2.277 177.647 175.328 0.071 0.000 1.084 823 H CA 2.118 58.260 56.048 0.156 0.000 1.261 823 H CB -0.103 29.765 29.762 0.176 0.000 1.360 823 H HN 0.214 nan 8.280 nan 0.000 0.487 824 A N 0.520 123.310 122.820 -0.051 0.000 1.986 824 A HA -0.169 3.965 4.320 -0.310 0.000 0.220 824 A C 2.593 180.103 177.584 -0.124 0.000 1.171 824 A CA 2.224 54.184 52.037 -0.128 0.000 0.640 824 A CB -1.298 17.684 19.000 -0.029 0.000 0.811 824 A HN 0.666 nan 8.150 nan 0.000 0.451 825 A N -0.444 122.343 122.820 -0.054 0.000 1.903 825 A HA 0.137 4.271 4.320 -0.310 0.000 0.213 825 A C 2.068 179.550 177.584 -0.170 0.000 1.185 825 A CA 1.215 53.218 52.037 -0.057 0.000 0.628 825 A CB -0.417 18.614 19.000 0.051 0.000 0.830 825 A HN 0.488 nan 8.150 nan 0.000 0.446 826 I N -2.360 118.055 120.570 -0.259 0.000 2.277 826 I HA -0.042 3.942 4.170 -0.310 0.000 0.243 826 I C 0.202 175.841 176.117 -0.796 0.000 1.094 826 I CA 0.887 61.854 61.300 -0.555 0.000 1.393 826 I CB -0.068 37.511 38.000 -0.702 0.000 1.078 826 I HN 0.194 nan 8.210 nan 0.000 0.417 827 F N 1.817 121.569 119.950 -0.330 0.000 2.530 827 F HA 0.330 4.671 4.527 -0.310 0.000 0.318 827 F C -1.514 173.973 175.800 -0.521 0.000 1.356 827 F CA -2.684 55.027 58.000 -0.482 0.000 1.135 827 F CB -0.359 38.140 39.000 -0.836 0.000 1.315 827 F HN -0.130 nan 8.300 nan 0.000 0.549 828 P HA -0.238 nan 4.420 nan 0.000 0.216 828 P C 0.838 178.073 177.300 -0.109 0.000 1.157 828 P CA 1.635 64.642 63.100 -0.156 0.000 0.880 828 P CB 0.368 32.011 31.700 -0.096 0.000 0.791 829 N N -0.330 118.335 118.700 -0.057 0.000 2.575 829 N HA -0.011 4.543 4.740 -0.310 0.000 0.192 829 N C 1.577 177.097 175.510 0.017 0.000 1.200 829 N CA 0.693 53.739 53.050 -0.008 0.000 0.897 829 N CB -0.747 37.757 38.487 0.027 0.000 0.990 829 N HN 0.231 nan 8.380 nan 0.000 0.449 830 G N 1.440 110.187 108.800 -0.088 0.000 3.318 830 G HA2 -0.114 3.660 3.960 -0.310 0.000 0.230 830 G HA3 -0.114 3.660 3.960 -0.310 0.000 0.230 830 G C 0.603 175.645 174.900 0.236 0.000 1.317 830 G CA -0.177 44.864 45.100 -0.099 0.000 1.197 830 G HN 0.177 nan 8.290 nan 0.000 0.514 831 K N 0.753 121.232 120.400 0.132 0.000 2.098 831 K HA 0.412 4.546 4.320 -0.310 0.000 0.257 831 K C -2.887 173.595 176.600 -0.198 0.000 0.999 831 K CA -2.393 53.923 56.287 0.048 0.000 0.924 831 K CB 1.508 33.993 32.500 -0.026 0.000 1.028 831 K HN -0.087 nan 8.250 nan 0.000 0.466 832 P HA 0.155 nan 4.420 nan 0.000 0.274 832 P C -2.438 174.438 177.300 -0.707 0.000 1.237 832 P CA -1.518 60.704 63.100 -1.462 0.000 0.793 832 P CB -0.338 30.418 31.700 -1.574 0.000 0.977 833 P HA 0.053 nan 4.420 nan 0.000 0.265 833 P C 0.779 177.950 177.300 -0.216 0.000 1.222 833 P CA 1.003 63.954 63.100 -0.248 0.000 0.767 833 P CB -0.020 31.606 31.700 -0.122 0.000 0.801 834 G N 3.062 111.771 108.800 -0.152 0.000 2.698 834 G HA2 -0.198 3.576 3.960 -0.310 0.000 0.200 834 G HA3 -0.198 3.576 3.960 -0.310 0.000 0.200 834 G C 0.324 175.159 174.900 -0.108 0.000 2.083 834 G CA 0.209 45.239 45.100 -0.116 0.000 1.629 834 G HN 0.781 nan 8.290 nan 0.000 0.565 835 S N 1.427 117.045 115.700 -0.136 0.000 2.626 835 S HA 0.480 4.764 4.470 -0.310 0.000 0.257 835 S C 0.869 175.414 174.600 -0.092 0.000 1.288 835 S CA 0.818 58.957 58.200 -0.102 0.000 0.980 835 S CB 1.175 64.314 63.200 -0.102 0.000 0.975 835 S HN 1.473 nan 8.310 nan 0.000 0.577 836 N N -0.594 118.070 118.700 -0.061 0.000 2.299 836 N HA 0.088 4.642 4.740 -0.310 0.000 0.246 836 N C -0.669 174.824 175.510 -0.029 0.000 1.254 836 N CA -0.339 52.684 53.050 -0.045 0.000 0.879 836 N CB 0.199 38.666 38.487 -0.032 0.000 1.214 836 N HN 0.553 nan 8.380 nan 0.000 0.510 837 Q N 2.071 121.854 119.800 -0.028 0.000 2.372 837 Q HA 0.481 4.635 4.340 -0.310 0.000 0.259 837 Q C -2.706 173.318 176.000 0.040 0.000 0.993 837 Q CA -2.088 53.718 55.803 0.004 0.000 0.854 837 Q CB 1.604 30.345 28.738 0.005 0.000 1.231 837 Q HN 0.044 nan 8.270 nan 0.000 0.462 838 P HA -0.044 nan 4.420 nan 0.000 0.254 838 P C -0.966 176.545 177.300 0.351 0.000 1.186 838 P CA 0.308 63.515 63.100 0.177 0.000 0.868 838 P CB 0.175 31.897 31.700 0.036 0.000 0.856 839 N N 6.041 124.941 118.700 0.332 0.000 2.501 839 N HA 0.127 4.681 4.740 -0.310 0.000 0.245 839 N C -1.520 174.056 175.510 0.109 0.000 0.974 839 N CA -2.391 50.803 53.050 0.240 0.000 0.941 839 N CB 1.355 39.967 38.487 0.208 0.000 1.122 839 N HN 0.125 nan 8.380 nan 0.000 0.507 840 P HA -0.179 nan 4.420 nan 0.000 0.216 840 P C 1.120 178.468 177.300 0.080 0.000 1.150 840 P CA 1.073 63.911 63.100 -0.437 0.000 0.837 840 P CB 0.627 32.190 31.700 -0.229 0.000 0.786 841 Q N -0.872 118.999 119.800 0.117 0.000 2.002 841 Q HA -0.184 3.970 4.340 -0.310 0.000 0.204 841 Q C 2.137 178.229 176.000 0.153 0.000 0.988 841 Q CA 1.708 57.595 55.803 0.139 0.000 0.843 841 Q CB -1.221 27.590 28.738 0.123 0.000 0.908 841 Q HN 0.340 nan 8.270 nan 0.000 0.420 842 W N 0.673 122.006 121.300 0.055 0.000 2.332 842 W HA -0.292 4.182 4.660 -0.310 0.000 0.321 842 W C 2.090 178.631 176.519 0.037 0.000 1.219 842 W CA 1.952 59.325 57.345 0.046 0.000 1.277 842 W CB -1.049 28.443 29.460 0.054 0.000 1.161 842 W HN 0.152 nan 8.180 nan 0.000 0.476 843 F N 0.067 119.895 119.950 -0.202 0.000 2.032 843 F HA -0.291 4.050 4.527 -0.310 0.000 0.297 843 F C 1.898 177.281 175.800 -0.694 0.000 1.125 843 F CA 2.850 60.481 58.000 -0.614 0.000 1.202 843 F CB -1.277 37.553 39.000 -0.283 0.000 0.958 843 F HN -0.061 nan 8.300 nan 0.000 0.491 844 W N 0.037 121.200 121.300 -0.229 0.000 2.525 844 W HA -0.096 4.378 4.660 -0.310 0.000 0.259 844 W C 2.440 178.765 176.519 -0.322 0.000 1.253 844 W CA 1.291 58.471 57.345 -0.275 0.000 1.262 844 W CB -0.726 28.688 29.460 -0.077 0.000 1.122 844 W HN -0.052 nan 8.180 nan 0.000 0.607 845 T N -0.275 114.174 114.554 -0.175 0.000 2.770 845 T HA -0.077 4.087 4.350 -0.310 0.000 0.258 845 T C 2.092 176.596 174.700 -0.328 0.000 1.039 845 T CA 1.594 63.582 62.100 -0.186 0.000 1.143 845 T CB -0.713 68.061 68.868 -0.158 0.000 0.866 845 T HN 0.121 nan 8.240 nan 0.000 0.428 846 A N 1.953 124.413 122.820 -0.600 0.000 1.933 846 A HA 0.035 4.169 4.320 -0.310 0.000 0.218 846 A C 2.251 179.500 177.584 -0.559 0.000 1.175 846 A CA 0.901 52.572 52.037 -0.611 0.000 0.628 846 A CB -0.804 17.630 19.000 -0.943 0.000 0.814 846 A HN 0.414 nan 8.150 nan 0.000 0.444 847 L N -0.286 120.499 121.223 -0.731 0.000 2.131 847 L HA -0.172 3.982 4.340 -0.310 0.000 0.210 847 L C 1.968 178.640 176.870 -0.330 0.000 1.092 847 L CA 2.209 56.643 54.840 -0.678 0.000 0.759 847 L CB -0.921 40.507 42.059 -1.053 0.000 0.903 847 L HN 0.538 nan 8.230 nan 0.000 0.435 848 Q N -0.719 118.956 119.800 -0.208 0.000 2.425 848 Q HA 0.010 4.164 4.340 -0.310 0.000 0.204 848 Q C 1.009 176.949 176.000 -0.101 0.000 0.933 848 Q CA 0.309 56.058 55.803 -0.089 0.000 0.939 848 Q CB 0.388 29.115 28.738 -0.019 0.000 1.044 848 Q HN 0.482 nan 8.270 nan 0.000 0.513 849 R N 0.437 120.849 120.500 -0.146 0.000 2.577 849 R HA 0.159 4.313 4.340 -0.310 0.000 0.344 849 R C -0.516 175.711 176.300 -0.122 0.000 1.037 849 R CA -0.262 55.769 56.100 -0.114 0.000 1.102 849 R CB 0.470 30.704 30.300 -0.111 0.000 1.313 849 R HN 0.101 nan 8.270 nan 0.000 0.561 850 N N 2.781 121.393 118.700 -0.147 0.000 2.650 850 N HA -0.193 4.361 4.740 -0.310 0.000 0.272 850 N C -0.704 174.729 175.510 -0.128 0.000 1.058 850 N CA 1.080 54.048 53.050 -0.137 0.000 0.765 850 N CB -0.516 37.917 38.487 -0.089 0.000 0.902 850 N HN 0.549 nan 8.380 nan 0.000 0.551 851 Q N 0.099 119.795 119.800 -0.175 0.000 2.275 851 Q HA 0.286 4.439 4.340 -0.310 0.000 0.314 851 Q C -0.418 175.495 176.000 -0.145 0.000 0.851 851 Q CA -0.150 55.576 55.803 -0.128 0.000 1.083 851 Q CB 0.932 29.605 28.738 -0.109 0.000 1.341 851 Q HN 0.344 nan 8.270 nan 0.000 0.402 852 L N 1.885 123.007 121.223 -0.167 0.000 2.295 852 L HA 0.487 4.641 4.340 -0.310 0.000 0.285 852 L C -2.029 174.838 176.870 -0.006 0.000 1.035 852 L CA -1.957 52.801 54.840 -0.136 0.000 0.806 852 L CB 1.023 42.919 42.059 -0.272 0.000 1.214 852 L HN -0.051 nan 8.230 nan 0.000 0.426 853 P HA -0.104 nan 4.420 nan 0.000 0.257 853 P C 0.410 177.737 177.300 0.045 0.000 1.162 853 P CA 0.230 63.381 63.100 0.085 0.000 0.762 853 P CB 0.772 32.550 31.700 0.129 0.000 0.753 854 A N 5.014 127.850 122.820 0.026 0.000 1.958 854 A HA -0.278 3.856 4.320 -0.310 0.000 0.221 854 A C 1.892 179.489 177.584 0.022 0.000 1.178 854 A CA 1.698 53.744 52.037 0.014 0.000 0.642 854 A CB -0.515 18.492 19.000 0.010 0.000 0.816 854 A HN 0.561 nan 8.150 nan 0.000 0.453 855 R N -1.271 119.248 120.500 0.032 0.000 2.280 855 R HA 0.292 4.446 4.340 -0.310 0.000 0.195 855 R C 1.991 178.320 176.300 0.048 0.000 0.935 855 R CA 0.419 56.539 56.100 0.034 0.000 1.033 855 R CB -0.329 29.988 30.300 0.028 0.000 0.964 855 R HN 0.574 nan 8.270 nan 0.000 0.489 856 L N 1.145 122.408 121.223 0.068 0.000 1.971 856 L HA -0.125 4.029 4.340 -0.310 0.000 0.215 856 L C 0.447 177.380 176.870 0.105 0.000 1.072 856 L CA 1.505 56.406 54.840 0.102 0.000 0.758 856 L CB -0.050 42.106 42.059 0.161 0.000 0.889 856 L HN 0.094 nan 8.230 nan 0.000 0.433 857 L N 0.741 122.019 121.223 0.091 0.000 2.360 857 L HA 0.124 4.278 4.340 -0.310 0.000 0.276 857 L C 0.844 177.760 176.870 0.076 0.000 1.121 857 L CA -0.399 54.498 54.840 0.096 0.000 0.845 857 L CB 1.022 43.118 42.059 0.061 0.000 1.143 857 L HN 0.369 nan 8.230 nan 0.000 0.452 858 S N 3.713 119.466 115.700 0.090 0.000 2.606 858 S HA 0.125 4.409 4.470 -0.310 0.000 0.257 858 S C 1.164 175.805 174.600 0.068 0.000 1.327 858 S CA -0.443 57.797 58.200 0.068 0.000 0.984 858 S CB 0.760 63.999 63.200 0.066 0.000 0.941 858 S HN 0.774 nan 8.310 nan 0.000 0.576 859 R N -0.018 120.514 120.500 0.052 0.000 2.153 859 R HA 0.098 4.252 4.340 -0.310 0.000 0.218 859 R C 1.140 177.478 176.300 0.063 0.000 1.072 859 R CA 1.052 57.181 56.100 0.050 0.000 0.990 859 R CB -0.557 29.764 30.300 0.034 0.000 0.889 859 R HN 0.598 nan 8.270 nan 0.000 0.452 860 E N 1.262 121.500 120.200 0.064 0.000 2.418 860 E HA -0.088 4.076 4.350 -0.310 0.000 0.197 860 E C 1.024 177.699 176.600 0.126 0.000 1.026 860 E CA 0.870 57.313 56.400 0.071 0.000 0.862 860 E CB -0.052 29.674 29.700 0.043 0.000 0.799 860 E HN 0.355 nan 8.360 nan 0.000 0.518 861 D N 0.221 120.713 120.400 0.153 0.000 2.117 861 D HA -0.116 4.338 4.640 -0.310 0.000 0.198 861 D C 1.755 178.191 176.300 0.228 0.000 0.982 861 D CA 0.658 54.808 54.000 0.251 0.000 0.828 861 D CB -0.023 40.935 40.800 0.264 0.000 0.967 861 D HN 0.154 nan 8.370 nan 0.000 0.464 862 I N 1.271 121.929 120.570 0.146 0.000 2.194 862 I HA -0.232 3.752 4.170 -0.310 0.000 0.246 862 I C 2.125 178.339 176.117 0.162 0.000 1.093 862 I CA 1.229 62.603 61.300 0.122 0.000 1.355 862 I CB -1.003 37.044 38.000 0.079 0.000 1.046 862 I HN 0.074 nan 8.210 nan 0.000 0.413 863 E N 0.260 120.559 120.200 0.165 0.000 2.110 863 E HA -0.156 4.008 4.350 -0.310 0.000 0.193 863 E C 2.146 178.926 176.600 0.301 0.000 0.988 863 E CA 1.857 58.372 56.400 0.191 0.000 0.804 863 E CB -0.045 29.734 29.700 0.132 0.000 0.745 863 E HN 0.451 nan 8.360 nan 0.000 0.458 864 T N 1.150 115.899 114.554 0.325 0.000 2.732 864 T HA -0.083 4.081 4.350 -0.310 0.000 0.261 864 T C 1.809 176.761 174.700 0.420 0.000 1.040 864 T CA 0.725 63.040 62.100 0.359 0.000 1.145 864 T CB -0.075 68.970 68.868 0.296 0.000 0.866 864 T HN 0.052 nan 8.240 nan 0.000 0.427 865 I N 2.266 123.083 120.570 0.410 0.000 2.145 865 I HA -0.221 3.763 4.170 -0.310 0.000 0.244 865 I C 2.909 179.216 176.117 0.318 0.000 1.075 865 I CA 1.467 63.007 61.300 0.399 0.000 1.332 865 I CB -1.843 36.280 38.000 0.204 0.000 1.033 865 I HN 0.186 nan 8.210 nan 0.000 0.410 866 A N 1.193 124.170 122.820 0.261 0.000 1.851 866 A HA -0.290 3.844 4.320 -0.310 0.000 0.216 866 A C 2.341 180.072 177.584 0.245 0.000 1.195 866 A CA 1.943 54.109 52.037 0.216 0.000 0.622 866 A CB -1.355 17.764 19.000 0.198 0.000 0.831 866 A HN 0.394 nan 8.150 nan 0.000 0.444 867 F N 1.083 121.122 119.950 0.149 0.000 2.063 867 F HA -0.275 4.066 4.527 -0.310 0.000 0.298 867 F C 1.986 177.843 175.800 0.096 0.000 1.109 867 F CA 1.982 60.055 58.000 0.122 0.000 1.212 867 F CB -0.266 38.789 39.000 0.091 0.000 0.973 867 F HN 0.192 nan 8.300 nan 0.000 0.480 868 I N 0.796 121.416 120.570 0.083 0.000 2.091 868 I HA -0.332 3.652 4.170 -0.310 0.000 0.239 868 I C 2.363 178.456 176.117 -0.039 0.000 1.061 868 I CA 1.771 63.049 61.300 -0.036 0.000 1.317 868 I CB -1.602 36.521 38.000 0.205 0.000 1.031 868 I HN 0.241 nan 8.210 nan 0.000 0.401 869 K N 0.465 120.902 120.400 0.062 0.000 2.113 869 K HA -0.231 3.902 4.320 -0.310 0.000 0.208 869 K C 2.185 178.786 176.600 0.001 0.000 1.047 869 K CA 1.421 57.731 56.287 0.039 0.000 0.928 869 K CB -0.149 32.401 32.500 0.084 0.000 0.716 869 K HN 0.275 nan 8.250 nan 0.000 0.446 870 K N 0.343 120.743 120.400 0.000 0.000 2.031 870 K HA -0.141 3.993 4.320 -0.310 0.000 0.205 870 K C 2.059 178.633 176.600 -0.043 0.000 1.049 870 K CA 1.072 57.355 56.287 -0.008 0.000 0.939 870 K CB -0.144 32.372 32.500 0.027 0.000 0.717 870 K HN 0.008 nan 8.250 nan 0.000 0.438 871 F N 1.828 121.621 119.950 -0.262 0.000 2.069 871 F HA -0.217 4.124 4.527 -0.310 0.000 0.298 871 F C 2.269 177.978 175.800 -0.152 0.000 1.113 871 F CA 1.871 59.708 58.000 -0.273 0.000 1.214 871 F CB -0.534 38.177 39.000 -0.482 0.000 0.978 871 F HN -0.010 nan 8.300 nan 0.000 0.474 872 S N 0.743 116.394 115.700 -0.082 0.000 2.387 872 S HA -0.187 4.097 4.470 -0.310 0.000 0.230 872 S C 2.052 176.592 174.600 -0.100 0.000 1.035 872 S CA 1.280 59.411 58.200 -0.115 0.000 1.014 872 S CB -0.534 62.615 63.200 -0.084 0.000 0.836 872 S HN 0.273 nan 8.310 nan 0.000 0.466 873 L N 1.608 122.780 121.223 -0.086 0.000 2.072 873 L HA -0.065 4.089 4.340 -0.310 0.000 0.205 873 L C 1.889 178.710 176.870 -0.082 0.000 1.079 873 L CA 1.716 56.518 54.840 -0.063 0.000 0.752 873 L CB -1.448 40.587 42.059 -0.039 0.000 0.906 873 L HN 0.245 nan 8.230 nan 0.000 0.436 874 D N -1.166 119.163 120.400 -0.119 0.000 2.077 874 D HA -0.250 4.203 4.640 -0.310 0.000 0.196 874 D C 1.986 178.208 176.300 -0.130 0.000 0.986 874 D CA 1.216 55.148 54.000 -0.113 0.000 0.829 874 D CB -0.490 40.241 40.800 -0.114 0.000 0.983 874 D HN 0.248 nan 8.370 nan 0.000 0.453 875 Y N 1.777 121.829 120.300 -0.412 0.000 2.081 875 Y HA -0.226 4.138 4.550 -0.310 0.000 0.280 875 Y C 2.395 178.182 175.900 -0.189 0.000 1.163 875 Y CA 2.391 60.284 58.100 -0.345 0.000 1.135 875 Y CB -0.708 37.379 38.460 -0.621 0.000 0.970 875 Y HN -0.004 nan 8.280 nan 0.000 0.498 876 G N -0.258 108.575 108.800 0.055 0.000 2.469 876 G HA2 -0.319 3.455 3.960 -0.310 0.000 0.220 876 G HA3 -0.319 3.455 3.960 -0.310 0.000 0.220 876 G C 1.807 176.610 174.900 -0.162 0.000 1.136 876 G CA 1.180 46.270 45.100 -0.017 0.000 0.759 876 G HN 0.677 nan 8.290 nan 0.000 0.562 877 A N 1.016 123.749 122.820 -0.145 0.000 1.933 877 A HA 0.011 4.145 4.320 -0.310 0.000 0.218 877 A C 2.379 179.832 177.584 -0.217 0.000 1.175 877 A CA 1.625 53.570 52.037 -0.154 0.000 0.628 877 A CB -0.345 18.599 19.000 -0.093 0.000 0.814 877 A HN 0.827 nan 8.150 nan 0.000 0.444 878 I N -3.711 116.720 120.570 -0.233 0.000 3.941 878 I HA 0.142 4.125 4.170 -0.310 0.000 0.321 878 I C 0.594 176.486 176.117 -0.376 0.000 1.284 878 I CA -0.251 60.925 61.300 -0.207 0.000 1.226 878 I CB -0.275 37.669 38.000 -0.093 0.000 1.045 878 I HN 0.182 nan 8.210 nan 0.000 0.420 879 N N 1.873 120.253 118.700 -0.534 0.000 2.454 879 N HA -0.045 4.508 4.740 -0.310 0.000 0.260 879 N C -0.790 174.380 175.510 -0.567 0.000 1.218 879 N CA 0.533 53.272 53.050 -0.517 0.000 0.904 879 N CB 0.565 38.772 38.487 -0.467 0.000 1.065 879 N HN 0.277 nan 8.380 nan 0.000 0.462 880 F N 2.880 122.852 119.950 0.037 0.000 2.859 880 F HA 0.424 4.765 4.527 -0.310 0.000 0.324 880 F C -0.102 175.880 175.800 0.304 0.000 1.158 880 F CA -0.318 57.809 58.000 0.212 0.000 1.147 880 F CB 0.475 39.541 39.000 0.110 0.000 1.137 880 F HN 0.347 nan 8.300 nan 0.000 0.516 881 I N 0.892 121.579 120.570 0.195 0.000 2.371 881 I HA 0.134 4.118 4.170 -0.310 0.000 0.282 881 I C 0.924 176.923 176.117 -0.196 0.000 1.031 881 I CA -0.175 61.078 61.300 -0.078 0.000 1.180 881 I CB 0.821 38.607 38.000 -0.358 0.000 1.336 881 I HN 0.101 nan 8.210 nan 0.000 0.467 882 N N 7.755 126.165 118.700 -0.483 0.000 2.678 882 N HA 0.053 4.607 4.740 -0.310 0.000 0.223 882 N C -0.783 174.465 175.510 -0.436 0.000 1.455 882 N CA 0.333 52.862 53.050 -0.869 0.000 0.907 882 N CB 0.147 37.696 38.487 -1.564 0.000 1.239 882 N HN 0.506 nan 8.380 nan 0.000 0.497 883 L N 0.477 121.548 121.223 -0.254 0.000 2.422 883 L HA 0.495 4.649 4.340 -0.310 0.000 0.264 883 L C -0.430 176.490 176.870 0.084 0.000 0.984 883 L CA -0.981 53.796 54.840 -0.104 0.000 0.819 883 L CB 1.923 43.919 42.059 -0.106 0.000 1.330 883 L HN -0.092 nan 8.230 nan 0.000 0.410 884 A N 3.836 126.716 122.820 0.100 0.000 2.354 884 A HA 0.589 4.723 4.320 -0.310 0.000 0.281 884 A C -2.265 175.418 177.584 0.165 0.000 1.174 884 A CA -1.301 50.819 52.037 0.137 0.000 0.828 884 A CB -0.313 18.729 19.000 0.071 0.000 1.099 884 A HN 0.388 nan 8.150 nan 0.000 0.516 885 P HA 0.001 nan 4.420 nan 0.000 0.264 885 P C -0.253 176.874 177.300 -0.288 0.000 1.193 885 P CA 0.058 63.081 63.100 -0.127 0.000 0.763 885 P CB 0.669 32.269 31.700 -0.166 0.000 0.810 886 N N 1.889 120.330 118.700 -0.432 0.000 2.236 886 N HA 0.026 4.580 4.740 -0.310 0.000 0.196 886 N C -0.045 174.964 175.510 -0.836 0.000 1.114 886 N CA 0.174 52.963 53.050 -0.435 0.000 0.859 886 N CB 0.142 38.524 38.487 -0.174 0.000 0.982 886 N HN 0.623 nan 8.380 nan 0.000 0.493 887 N N -3.367 114.527 118.700 -1.344 0.000 3.185 887 N HA 0.084 4.638 4.740 -0.310 0.000 0.238 887 N C 0.364 175.355 175.510 -0.864 0.000 1.451 887 N CA -0.711 51.665 53.050 -1.124 0.000 0.888 887 N CB 0.842 39.109 38.487 -0.365 0.000 1.413 887 N HN -0.374 nan 8.380 nan 0.000 0.511 888 V N 0.266 120.061 119.914 -0.199 0.000 2.392 888 V HA -0.248 3.686 4.120 -0.310 0.000 0.249 888 V C 1.968 178.036 176.094 -0.043 0.000 1.059 888 V CA 2.506 64.831 62.300 0.042 0.000 1.051 888 V CB -0.998 30.910 31.823 0.141 0.000 0.658 888 V HN 0.773 nan 8.190 nan 0.000 0.455 889 S N -0.328 115.320 115.700 -0.087 0.000 2.353 889 S HA -0.274 4.010 4.470 -0.310 0.000 0.222 889 S C 1.919 176.426 174.600 -0.155 0.000 1.035 889 S CA 1.955 60.111 58.200 -0.074 0.000 1.025 889 S CB -0.333 62.825 63.200 -0.070 0.000 0.902 889 S HN 0.723 nan 8.310 nan 0.000 0.440 890 E N 0.557 120.564 120.200 -0.322 0.000 2.072 890 E HA -0.106 4.058 4.350 -0.310 0.000 0.191 890 E C 2.124 178.372 176.600 -0.586 0.000 0.985 890 E CA 0.807 56.838 56.400 -0.616 0.000 0.801 890 E CB -0.266 28.969 29.700 -0.775 0.000 0.750 890 E HN 0.241 nan 8.360 nan 0.000 0.452 891 L N 1.009 122.038 121.223 -0.324 0.000 2.079 891 L HA -0.179 3.975 4.340 -0.310 0.000 0.210 891 L C 2.116 179.086 176.870 0.166 0.000 1.081 891 L CA 2.029 56.851 54.840 -0.029 0.000 0.752 891 L CB -0.505 41.625 42.059 0.118 0.000 0.896 891 L HN 0.043 nan 8.230 nan 0.000 0.433 892 A N -1.185 121.710 122.820 0.125 0.000 1.872 892 A HA -0.117 4.017 4.320 -0.310 0.000 0.214 892 A C 2.156 179.893 177.584 0.254 0.000 1.187 892 A CA 1.729 53.908 52.037 0.236 0.000 0.614 892 A CB -0.437 18.667 19.000 0.173 0.000 0.826 892 A HN 0.424 nan 8.150 nan 0.000 0.442 893 M N -1.004 118.687 119.600 0.153 0.000 2.086 893 M HA -0.100 4.194 4.480 -0.310 0.000 0.261 893 M C 2.131 178.660 176.300 0.381 0.000 1.067 893 M CA 1.372 56.804 55.300 0.220 0.000 1.116 893 M CB -1.585 31.111 32.600 0.160 0.000 1.348 893 M HN 0.515 nan 8.290 nan 0.000 0.407 894 Y N -0.799 119.634 120.300 0.223 0.000 2.145 894 Y HA -0.251 4.113 4.550 -0.310 0.000 0.286 894 Y C 2.592 178.658 175.900 0.276 0.000 1.145 894 Y CA 0.966 59.209 58.100 0.239 0.000 1.148 894 Y CB -1.787 36.855 38.460 0.304 0.000 0.981 894 Y HN 0.269 nan 8.280 nan 0.000 0.507 895 Y N 0.291 120.855 120.300 0.441 0.000 2.128 895 Y HA -0.299 4.064 4.550 -0.310 0.000 0.284 895 Y C 2.712 178.729 175.900 0.194 0.000 1.154 895 Y CA 1.740 60.036 58.100 0.328 0.000 1.149 895 Y CB -0.658 38.053 38.460 0.419 0.000 0.976 895 Y HN 0.151 nan 8.280 nan 0.000 0.505 896 M N -0.415 119.251 119.600 0.109 0.000 2.117 896 M HA -0.167 4.127 4.480 -0.310 0.000 0.262 896 M C 2.226 178.522 176.300 -0.006 0.000 1.065 896 M CA 2.082 57.377 55.300 -0.008 0.000 1.114 896 M CB -0.314 32.371 32.600 0.141 0.000 1.361 896 M HN 0.351 nan 8.290 nan 0.000 0.408 897 A N 0.841 123.712 122.820 0.084 0.000 1.877 897 A HA -0.185 3.949 4.320 -0.310 0.000 0.216 897 A C 1.771 179.312 177.584 -0.071 0.000 1.186 897 A CA 1.947 53.984 52.037 -0.001 0.000 0.620 897 A CB -0.981 18.064 19.000 0.076 0.000 0.822 897 A HN 0.632 nan 8.150 nan 0.000 0.443 898 N N -0.384 118.294 118.700 -0.037 0.000 2.223 898 N HA -0.126 4.428 4.740 -0.310 0.000 0.185 898 N C 1.790 177.245 175.510 -0.091 0.000 1.016 898 N CA 1.107 54.121 53.050 -0.059 0.000 0.863 898 N CB -0.239 38.165 38.487 -0.139 0.000 0.983 898 N HN 0.444 nan 8.380 nan 0.000 0.429 899 Q N 0.692 120.382 119.800 -0.184 0.000 2.123 899 Q HA 0.088 4.242 4.340 -0.310 0.000 0.199 899 Q C 2.251 178.205 176.000 -0.076 0.000 0.966 899 Q CA 0.520 56.216 55.803 -0.178 0.000 0.845 899 Q CB -0.136 28.410 28.738 -0.320 0.000 0.907 899 Q HN 0.460 nan 8.270 nan 0.000 0.439 900 I N 0.321 120.826 120.570 -0.108 0.000 2.394 900 I HA -0.236 3.748 4.170 -0.310 0.000 0.251 900 I C 2.103 178.164 176.117 -0.093 0.000 1.136 900 I CA 0.677 61.907 61.300 -0.116 0.000 1.425 900 I CB -0.145 37.719 38.000 -0.226 0.000 1.079 900 I HN 0.129 nan 8.210 nan 0.000 0.425 901 L N 0.133 121.289 121.223 -0.112 0.000 2.109 901 L HA -0.140 4.014 4.340 -0.310 0.000 0.207 901 L C 2.753 179.643 176.870 0.033 0.000 1.086 901 L CA 0.784 55.573 54.840 -0.085 0.000 0.760 901 L CB -0.530 41.461 42.059 -0.114 0.000 0.910 901 L HN 0.225 nan 8.230 nan 0.000 0.437 902 R N -0.244 120.287 120.500 0.053 0.000 2.092 902 R HA -0.230 3.924 4.340 -0.310 0.000 0.231 902 R C 2.237 178.563 176.300 0.043 0.000 1.119 902 R CA 1.563 57.699 56.100 0.060 0.000 0.970 902 R CB -0.579 29.744 30.300 0.039 0.000 0.864 902 R HN 0.299 nan 8.270 nan 0.000 0.440 903 Y N 0.241 120.489 120.300 -0.086 0.000 2.274 903 Y HA -0.177 4.186 4.550 -0.310 0.000 0.290 903 Y C 1.916 177.725 175.900 -0.151 0.000 1.145 903 Y CA 1.482 59.502 58.100 -0.133 0.000 1.203 903 Y CB -0.153 38.210 38.460 -0.163 0.000 0.984 903 Y HN 0.078 nan 8.280 nan 0.000 0.533 904 C N 1.311 120.697 119.300 0.143 0.000 2.673 904 C HA 0.106 4.380 4.460 -0.310 0.000 0.274 904 C C 0.164 175.168 174.990 0.025 0.000 1.276 904 C CA -0.045 59.035 59.018 0.104 0.000 1.701 904 C CB -1.452 26.368 27.740 0.134 0.000 1.836 904 C HN 0.527 nan 8.230 nan 0.000 0.596 905 D N 0.372 120.765 120.400 -0.012 0.000 2.723 905 D HA -0.193 4.261 4.640 -0.310 0.000 0.236 905 D C 0.059 176.314 176.300 -0.075 0.000 1.138 905 D CA 0.997 54.970 54.000 -0.046 0.000 0.676 905 D CB -1.343 39.415 40.800 -0.069 0.000 1.069 905 D HN 0.712 nan 8.370 nan 0.000 0.430 906 H N 0.346 119.321 119.070 -0.159 0.000 2.790 906 H HA 0.417 4.787 4.556 -0.310 0.000 0.358 906 H C 0.326 175.392 175.328 -0.437 0.000 1.103 906 H CA 0.991 56.853 56.048 -0.310 0.000 1.426 906 H CB 0.672 30.194 29.762 -0.401 0.000 1.424 906 H HN 0.140 nan 8.280 nan 0.000 0.599 907 S N 1.723 116.711 115.700 -1.186 0.000 2.625 907 S HA 0.397 4.681 4.470 -0.310 0.000 0.271 907 S C 0.310 174.413 174.600 -0.829 0.000 1.161 907 S CA -0.159 57.568 58.200 -0.789 0.000 0.820 907 S CB 1.548 64.533 63.200 -0.359 0.000 1.137 907 S HN 0.880 nan 8.310 nan 0.000 0.470 908 T N -0.641 113.652 114.554 -0.435 0.000 12.209 908 T HA -0.246 3.918 4.350 -0.310 0.000 0.417 908 T C -0.173 174.203 174.700 -0.540 0.000 1.458 908 T CA 2.349 64.117 62.100 -0.553 0.000 2.409 908 T CB -2.142 66.146 68.868 -0.967 0.000 2.842 908 T HN 0.814 nan 8.240 nan 0.000 0.841 909 Y N 0.172 120.382 120.300 -0.150 0.000 2.446 909 Y HA 0.686 5.050 4.550 -0.310 0.000 0.338 909 Y C 0.286 176.322 175.900 0.228 0.000 1.055 909 Y CA -2.091 56.031 58.100 0.036 0.000 1.101 909 Y CB 0.573 39.112 38.460 0.132 0.000 1.221 909 Y HN 0.101 nan 8.280 nan 0.000 0.460 910 F N 2.707 122.990 119.950 0.555 0.000 2.410 910 F HA 0.321 4.662 4.527 -0.310 0.000 0.334 910 F C 0.755 176.778 175.800 0.371 0.000 1.134 910 F CA -1.059 57.195 58.000 0.423 0.000 1.227 910 F CB 0.361 39.501 39.000 0.233 0.000 1.194 910 F HN 0.323 nan 8.300 nan 0.000 0.571 911 I N -0.429 120.387 120.570 0.409 0.000 2.934 911 I HA 0.459 4.443 4.170 -0.310 0.000 0.315 911 I C -0.502 175.746 176.117 0.219 0.000 0.997 911 I CA -0.946 60.479 61.300 0.209 0.000 1.184 911 I CB 0.931 38.936 38.000 0.008 0.000 1.400 911 I HN 0.409 nan 8.210 nan 0.000 0.549 912 N N 1.273 120.085 118.700 0.187 0.000 2.529 912 N HA 0.365 4.919 4.740 -0.310 0.000 0.278 912 N C -0.592 174.927 175.510 0.014 0.000 1.146 912 N CA -0.186 52.941 53.050 0.128 0.000 0.980 912 N CB 1.141 39.714 38.487 0.142 0.000 1.124 912 N HN 0.801 nan 8.380 nan 0.000 0.458 913 T N -0.889 113.577 114.554 -0.147 0.000 2.932 913 T HA 0.628 4.792 4.350 -0.310 0.000 0.289 913 T C -0.479 173.947 174.700 -0.457 0.000 1.039 913 T CA -0.954 60.986 62.100 -0.267 0.000 1.024 913 T CB 0.837 69.541 68.868 -0.273 0.000 1.090 913 T HN 0.140 nan 8.240 nan 0.000 0.496 914 L N 1.168 122.076 121.223 -0.525 0.000 2.346 914 L HA 0.660 4.814 4.340 -0.310 0.000 0.276 914 L C -0.163 176.433 176.870 -0.456 0.000 1.006 914 L CA -0.795 53.676 54.840 -0.614 0.000 0.817 914 L CB 2.306 43.962 42.059 -0.671 0.000 1.272 914 L HN 0.782 nan 8.230 nan 0.000 0.421 915 T N 1.731 115.953 114.554 -0.554 0.000 2.881 915 T HA 0.659 4.823 4.350 -0.310 0.000 0.290 915 T C -0.531 174.072 174.700 -0.163 0.000 1.000 915 T CA -0.468 61.386 62.100 -0.411 0.000 0.978 915 T CB 1.951 70.418 68.868 -0.668 0.000 0.997 915 T HN 0.649 nan 8.240 nan 0.000 0.443 916 A N 3.462 126.277 122.820 -0.008 0.000 2.312 916 A HA 0.776 4.910 4.320 -0.310 0.000 0.326 916 A C -0.462 177.205 177.584 0.138 0.000 1.172 916 A CA -0.665 51.427 52.037 0.091 0.000 0.821 916 A CB 0.418 19.464 19.000 0.076 0.000 1.166 916 A HN 0.703 nan 8.150 nan 0.000 0.493 917 I N 3.713 124.387 120.570 0.174 0.000 2.337 917 I HA 0.220 4.204 4.170 -0.310 0.000 0.285 917 I C -0.594 175.669 176.117 0.243 0.000 1.041 917 I CA -0.539 60.879 61.300 0.197 0.000 1.199 917 I CB 0.371 38.432 38.000 0.101 0.000 1.370 917 I HN 0.390 nan 8.210 nan 0.000 0.470 918 I N 5.026 125.725 120.570 0.215 0.000 2.496 918 I HA 0.199 4.183 4.170 -0.310 0.000 0.285 918 I C 0.995 177.214 176.117 0.171 0.000 1.080 918 I CA 0.140 61.531 61.300 0.151 0.000 1.404 918 I CB 0.889 38.936 38.000 0.078 0.000 1.403 918 I HN 0.602 nan 8.210 nan 0.000 0.539 919 A N 5.527 128.386 122.820 0.065 0.000 2.309 919 A HA 0.726 4.860 4.320 -0.310 0.000 0.290 919 A C 0.461 177.864 177.584 -0.301 0.000 1.206 919 A CA 0.074 51.987 52.037 -0.207 0.000 0.850 919 A CB -0.263 18.684 19.000 -0.089 0.000 1.118 919 A HN 0.842 nan 8.150 nan 0.000 0.523 920 G N 0.659 109.218 108.800 -0.402 0.000 3.042 920 G HA2 0.733 4.507 3.960 -0.310 0.000 0.278 920 G HA3 0.733 4.507 3.960 -0.310 0.000 0.278 920 G C -0.343 174.414 174.900 -0.240 0.000 1.371 920 G CA 0.097 45.049 45.100 -0.248 0.000 1.009 920 G HN 1.602 nan 8.290 nan 0.000 0.523 921 S N -1.504 114.128 115.700 -0.113 0.000 2.671 921 S HA 0.901 5.185 4.470 -0.310 0.000 0.277 921 S C -0.675 174.012 174.600 0.144 0.000 1.165 921 S CA -0.765 57.431 58.200 -0.007 0.000 0.822 921 S CB 2.581 65.767 63.200 -0.025 0.000 1.150 921 S HN 1.468 nan 8.310 nan 0.000 0.479 922 R N -0.707 119.983 120.500 0.317 0.000 2.774 922 R HA 0.514 4.668 4.340 -0.310 0.000 0.279 922 R C -1.529 174.967 176.300 0.328 0.000 1.022 922 R CA -1.176 55.159 56.100 0.391 0.000 0.855 922 R CB 0.417 30.827 30.300 0.184 0.000 1.279 922 R HN 0.499 nan 8.270 nan 0.000 0.485 923 R N 0.622 121.171 120.500 0.082 0.000 2.643 923 R HA 0.228 4.382 4.340 -0.310 0.000 0.270 923 R C -2.194 174.098 176.300 -0.015 0.000 1.061 923 R CA -1.963 54.038 56.100 -0.165 0.000 1.107 923 R CB -0.251 29.895 30.300 -0.256 0.000 0.999 923 R HN 0.478 nan 8.270 nan 0.000 0.460 924 P HA -0.056 nan 4.420 nan 0.000 0.257 924 P C -1.678 175.634 177.300 0.020 0.000 1.162 924 P CA -0.357 62.777 63.100 0.056 0.000 0.762 924 P CB 0.248 32.004 31.700 0.093 0.000 0.753 925 P HA -0.037 nan 4.420 nan 0.000 0.247 925 P C -0.338 176.964 177.300 0.003 0.000 1.225 925 P CA 0.682 63.790 63.100 0.014 0.000 0.768 925 P CB 0.277 31.988 31.700 0.019 0.000 1.020 926 S N -3.077 112.620 115.700 -0.004 0.000 2.643 926 S HA 0.202 4.486 4.470 -0.310 0.000 0.266 926 S C 0.547 175.147 174.600 -0.000 0.000 1.130 926 S CA -0.682 57.515 58.200 -0.005 0.000 0.817 926 S CB 0.692 63.879 63.200 -0.022 0.000 1.107 926 S HN -0.255 nan 8.310 nan 0.000 0.471 927 V N 1.619 121.555 119.914 0.036 0.000 2.379 927 V HA -0.106 3.828 4.120 -0.310 0.000 0.245 927 V C 2.851 178.982 176.094 0.062 0.000 1.044 927 V CA 1.897 64.257 62.300 0.099 0.000 1.036 927 V CB -0.947 30.994 31.823 0.196 0.000 0.664 927 V HN 0.841 nan 8.190 nan 0.000 0.453 928 Q N 0.304 120.058 119.800 -0.077 0.000 2.096 928 Q HA -0.279 3.875 4.340 -0.310 0.000 0.208 928 Q C 2.394 178.199 176.000 -0.326 0.000 0.993 928 Q CA 2.311 57.895 55.803 -0.365 0.000 0.862 928 Q CB -0.650 27.902 28.738 -0.309 0.000 0.915 928 Q HN 0.651 nan 8.270 nan 0.000 0.416 929 A N 0.046 122.728 122.820 -0.229 0.000 2.178 929 A HA -0.016 4.118 4.320 -0.310 0.000 0.218 929 A C 1.910 179.186 177.584 -0.513 0.000 1.157 929 A CA 1.569 53.435 52.037 -0.284 0.000 0.689 929 A CB -0.259 18.653 19.000 -0.146 0.000 0.787 929 A HN 0.358 nan 8.150 nan 0.000 0.465 930 A N -1.253 121.345 122.820 -0.369 0.000 2.348 930 A HA 0.578 4.712 4.320 -0.310 0.000 0.224 930 A C 2.094 179.470 177.584 -0.346 0.000 1.227 930 A CA 1.080 52.866 52.037 -0.418 0.000 0.885 930 A CB -0.552 18.439 19.000 -0.015 0.000 0.933 930 A HN 0.864 nan 8.150 nan 0.000 0.506 931 A N 0.862 123.535 122.820 -0.245 0.000 1.882 931 A HA -0.099 4.035 4.320 -0.310 0.000 0.220 931 A C 2.396 179.968 177.584 -0.020 0.000 1.253 931 A CA 2.460 54.481 52.037 -0.026 0.000 0.664 931 A CB -1.250 17.669 19.000 -0.135 0.000 0.838 931 A HN 1.314 nan 8.150 nan 0.000 0.460 932 A N -2.585 120.066 122.820 -0.281 0.000 2.234 932 A HA -0.086 4.048 4.320 -0.310 0.000 0.216 932 A C 1.600 179.165 177.584 -0.031 0.000 1.167 932 A CA 1.328 53.237 52.037 -0.212 0.000 0.698 932 A CB -0.668 18.113 19.000 -0.365 0.000 0.779 932 A HN 0.812 nan 8.150 nan 0.000 0.475 933 W N -0.677 120.686 121.300 0.105 0.000 3.103 933 W HA 0.322 4.795 4.660 -0.313 0.000 0.325 933 W C 1.075 177.632 176.519 0.064 0.000 1.170 933 W CA -0.501 56.876 57.345 0.054 0.000 1.712 933 W CB -1.196 28.241 29.460 -0.038 0.000 1.068 933 W HN 0.281 nan 8.180 nan 0.000 0.592 934 S N 1.444 117.280 115.700 0.226 0.000 2.573 934 S HA 0.213 4.497 4.470 -0.310 0.000 0.297 934 S C 1.404 176.070 174.600 0.109 0.000 1.280 934 S CA 0.721 58.969 58.200 0.080 0.000 1.061 934 S CB 1.301 64.457 63.200 -0.074 0.000 0.812 934 S HN 0.177 nan 8.310 nan 0.000 0.500 935 A N 4.170 127.034 122.820 0.072 0.000 2.072 935 A HA 0.182 4.316 4.320 -0.310 0.000 0.216 935 A C 0.732 178.335 177.584 0.031 0.000 1.156 935 A CA 0.545 52.636 52.037 0.090 0.000 0.701 935 A CB -0.131 18.924 19.000 0.092 0.000 0.816 935 A HN 0.782 nan 8.150 nan 0.000 0.458 936 Q N -0.937 118.833 119.800 -0.050 0.000 2.325 936 Q HA 0.564 4.718 4.340 -0.310 0.000 0.262 936 Q C 0.747 176.584 176.000 -0.272 0.000 0.968 936 Q CA 0.498 56.238 55.803 -0.104 0.000 0.877 936 Q CB 1.621 30.306 28.738 -0.089 0.000 1.253 936 Q HN 0.224 nan 8.270 nan 0.000 0.448 937 G N 1.234 109.866 108.800 -0.281 0.000 2.944 937 G HA2 0.195 3.969 3.960 -0.310 0.000 0.220 937 G HA3 0.195 3.969 3.960 -0.310 0.000 0.220 937 G C 0.723 175.379 174.900 -0.407 0.000 1.100 937 G CA 0.335 45.127 45.100 -0.513 0.000 0.780 937 G HN 0.681 nan 8.290 nan 0.000 0.539 938 G N 1.116 109.771 108.800 -0.242 0.000 2.937 938 G HA2 0.291 4.065 3.960 -0.310 0.000 0.160 938 G HA3 0.291 4.065 3.960 -0.310 0.000 0.160 938 G C 1.747 176.566 174.900 -0.135 0.000 1.863 938 G CA 1.084 46.058 45.100 -0.210 0.000 0.941 938 G HN 0.459 nan 8.290 nan 0.000 0.419 939 A N -0.592 122.323 122.820 0.158 0.000 2.067 939 A HA 0.298 4.432 4.320 -0.310 0.000 0.217 939 A C 2.259 179.831 177.584 -0.021 0.000 1.156 939 A CA 1.669 53.788 52.037 0.136 0.000 0.683 939 A CB -0.425 18.657 19.000 0.137 0.000 0.808 939 A HN 0.844 nan 8.150 nan 0.000 0.455 940 G N -0.704 108.059 108.800 -0.062 0.000 3.181 940 G HA2 0.253 4.027 3.960 -0.310 0.000 0.219 940 G HA3 0.253 4.027 3.960 -0.310 0.000 0.219 940 G C 1.076 175.865 174.900 -0.185 0.000 1.182 940 G CA 0.450 45.486 45.100 -0.107 0.000 0.791 940 G HN 0.352 nan 8.290 nan 0.000 0.537 941 L N 1.035 122.112 121.223 -0.244 0.000 1.955 941 L HA -0.056 4.098 4.340 -0.310 0.000 0.213 941 L C 2.519 179.148 176.870 -0.402 0.000 1.072 941 L CA 2.675 57.319 54.840 -0.326 0.000 0.755 941 L CB -0.700 41.169 42.059 -0.316 0.000 0.888 941 L HN 0.385 nan 8.230 nan 0.000 0.432 942 E N -1.035 118.795 120.200 -0.616 0.000 2.267 942 E HA -0.211 3.953 4.350 -0.310 0.000 0.197 942 E C 1.870 178.156 176.600 -0.524 0.000 0.998 942 E CA 1.065 56.840 56.400 -1.041 0.000 0.830 942 E CB -0.099 28.935 29.700 -1.110 0.000 0.751 942 E HN 0.646 nan 8.360 nan 0.000 0.491 943 A N 0.325 122.956 122.820 -0.314 0.000 1.903 943 A HA 0.087 4.221 4.320 -0.310 0.000 0.213 943 A C 2.406 179.905 177.584 -0.142 0.000 1.185 943 A CA 1.054 52.980 52.037 -0.185 0.000 0.628 943 A CB -0.960 17.962 19.000 -0.130 0.000 0.830 943 A HN 0.413 nan 8.150 nan 0.000 0.446 944 G N -0.030 108.680 108.800 -0.150 0.000 2.440 944 G HA2 -0.054 3.720 3.960 -0.310 0.000 0.218 944 G HA3 -0.054 3.720 3.960 -0.310 0.000 0.218 944 G C 1.741 176.595 174.900 -0.076 0.000 1.154 944 G CA 1.653 46.694 45.100 -0.099 0.000 0.767 944 G HN 0.758 nan 8.290 nan 0.000 0.552 945 A N 0.601 123.362 122.820 -0.099 0.000 1.865 945 A HA -0.049 4.085 4.320 -0.310 0.000 0.217 945 A C 2.379 179.953 177.584 -0.017 0.000 1.191 945 A CA 1.883 53.912 52.037 -0.014 0.000 0.623 945 A CB -0.554 18.501 19.000 0.092 0.000 0.826 945 A HN 0.333 nan 8.150 nan 0.000 0.444 946 R N -0.788 119.679 120.500 -0.055 0.000 2.091 946 R HA -0.159 3.995 4.340 -0.310 0.000 0.238 946 R C 2.447 178.735 176.300 -0.020 0.000 1.136 946 R CA 1.388 57.468 56.100 -0.033 0.000 0.959 946 R CB -0.421 29.843 30.300 -0.059 0.000 0.856 946 R HN 0.532 nan 8.270 nan 0.000 0.437 947 A N 1.207 124.011 122.820 -0.026 0.000 1.902 947 A HA -0.172 3.962 4.320 -0.310 0.000 0.217 947 A C 2.051 179.645 177.584 0.016 0.000 1.181 947 A CA 1.036 53.073 52.037 -0.000 0.000 0.623 947 A CB -0.659 18.342 19.000 0.002 0.000 0.818 947 A HN 0.312 nan 8.150 nan 0.000 0.443 948 L N -0.703 120.506 121.223 -0.022 0.000 2.013 948 L HA -0.185 3.969 4.340 -0.310 0.000 0.212 948 L C 2.338 179.169 176.870 -0.066 0.000 1.073 948 L CA 2.289 57.058 54.840 -0.119 0.000 0.753 948 L CB -0.908 41.055 42.059 -0.160 0.000 0.890 948 L HN 0.347 nan 8.230 nan 0.000 0.432 949 M N -0.893 118.693 119.600 -0.023 0.000 2.175 949 M HA -0.181 4.113 4.480 -0.310 0.000 0.264 949 M C 1.926 178.231 176.300 0.008 0.000 1.063 949 M CA 1.244 56.540 55.300 -0.006 0.000 1.119 949 M CB -1.394 31.209 32.600 0.004 0.000 1.377 949 M HN 0.258 nan 8.290 nan 0.000 0.415 950 D N 0.307 120.717 120.400 0.017 0.000 2.218 950 D HA -0.035 4.419 4.640 -0.310 0.000 0.204 950 D C 0.696 177.020 176.300 0.040 0.000 0.976 950 D CA 1.041 55.055 54.000 0.023 0.000 0.853 950 D CB 0.381 41.194 40.800 0.021 0.000 0.939 950 D HN 0.315 nan 8.370 nan 0.000 0.481 951 A N -0.006 122.861 122.820 0.079 0.000 2.749 951 A HA 0.249 4.382 4.320 -0.310 0.000 0.299 951 A C 1.508 179.197 177.584 0.174 0.000 1.105 951 A CA -0.277 51.824 52.037 0.108 0.000 0.987 951 A CB 0.289 19.367 19.000 0.130 0.000 1.180 951 A HN 0.005 nan 8.150 nan 0.000 0.528 952 V N 0.277 120.252 119.914 0.101 0.000 2.317 952 V HA -0.347 3.587 4.120 -0.310 0.000 0.251 952 V C 1.981 178.096 176.094 0.035 0.000 1.065 952 V CA 3.025 65.362 62.300 0.061 0.000 1.049 952 V CB -0.454 31.318 31.823 -0.085 0.000 0.651 952 V HN 0.763 nan 8.190 nan 0.000 0.450 953 D N -0.109 120.293 120.400 0.003 0.000 2.228 953 D HA -0.139 4.315 4.640 -0.310 0.000 0.203 953 D C 2.053 178.350 176.300 -0.004 0.000 0.988 953 D CA 1.388 55.388 54.000 0.001 0.000 0.864 953 D CB -0.268 40.541 40.800 0.014 0.000 0.928 953 D HN 0.576 nan 8.370 nan 0.000 0.469 954 A N -0.117 122.673 122.820 -0.051 0.000 2.067 954 A HA -0.049 4.085 4.320 -0.310 0.000 0.217 954 A C 0.149 177.528 177.584 -0.342 0.000 1.156 954 A CA 0.668 52.583 52.037 -0.204 0.000 0.683 954 A CB -0.331 18.488 19.000 -0.301 0.000 0.808 954 A HN 0.280 nan 8.150 nan 0.000 0.455 955 H N -0.130 118.923 119.070 -0.029 0.000 2.724 955 H HA 0.269 4.639 4.556 -0.310 0.000 0.278 955 H C -1.831 173.473 175.328 -0.040 0.000 1.159 955 H CA -1.889 54.131 56.048 -0.047 0.000 1.254 955 H CB 0.789 30.499 29.762 -0.086 0.000 1.412 955 H HN 0.212 nan 8.280 nan 0.000 0.488 956 P HA -0.070 nan 4.420 nan 0.000 0.230 956 P C 1.139 178.637 177.300 0.329 0.000 1.158 956 P CA 0.879 64.129 63.100 0.250 0.000 0.769 956 P CB 0.428 32.242 31.700 0.191 0.000 0.807 957 G N -0.518 108.362 108.800 0.133 0.000 3.393 957 G HA2 0.320 4.094 3.960 -0.310 0.000 0.255 957 G HA3 0.320 4.094 3.960 -0.310 0.000 0.255 957 G C 0.703 175.434 174.900 -0.283 0.000 1.097 957 G CA 0.092 45.227 45.100 0.059 0.000 0.780 957 G HN 0.336 nan 8.290 nan 0.000 0.540 958 A N 0.590 123.212 122.820 -0.330 0.000 3.126 958 A HA 0.615 4.749 4.320 -0.310 0.000 0.268 958 A C -0.718 176.543 177.584 -0.538 0.000 1.605 958 A CA -0.622 51.054 52.037 -0.600 0.000 1.305 958 A CB -0.409 18.378 19.000 -0.356 0.000 1.160 958 A HN 0.327 nan 8.150 nan 0.000 0.609 959 W N -0.937 120.234 121.300 -0.214 0.000 2.894 959 W HA 0.715 5.188 4.660 -0.311 0.000 0.345 959 W C 0.199 176.741 176.519 0.038 0.000 1.152 959 W CA -0.346 56.977 57.345 -0.037 0.000 1.089 959 W CB 1.625 31.066 29.460 -0.033 0.000 1.454 959 W HN 0.161 nan 8.180 nan 0.000 0.589 960 T N 0.732 115.482 114.554 0.327 0.000 2.956 960 T HA 0.335 4.499 4.350 -0.310 0.000 0.312 960 T C -0.549 174.224 174.700 0.120 0.000 1.151 960 T CA -0.760 61.468 62.100 0.212 0.000 1.024 960 T CB 1.152 70.131 68.868 0.185 0.000 1.140 960 T HN 0.428 nan 8.240 nan 0.000 0.473 961 S N 3.535 119.268 115.700 0.055 0.000 2.576 961 S HA 0.737 5.021 4.470 -0.310 0.000 0.276 961 S C -0.069 174.441 174.600 -0.150 0.000 1.339 961 S CA -0.630 57.509 58.200 -0.102 0.000 1.039 961 S CB 0.048 63.174 63.200 -0.124 0.000 0.902 961 S HN 0.796 nan 8.310 nan 0.000 0.516 962 M N 0.699 120.088 119.600 -0.351 0.000 2.569 962 M HA 0.731 5.025 4.480 -0.310 0.000 0.279 962 M C -2.017 173.960 176.300 -0.538 0.000 1.253 962 M CA -0.889 54.262 55.300 -0.248 0.000 0.867 962 M CB 1.415 33.970 32.600 -0.075 0.000 1.727 962 M HN 0.511 nan 8.290 nan 0.000 0.467 963 F N 0.751 120.721 119.950 0.035 0.000 2.561 963 F HA 0.936 5.277 4.527 -0.311 0.000 0.321 963 F C -0.200 175.620 175.800 0.034 0.000 1.065 963 F CA -0.625 57.393 58.000 0.030 0.000 0.934 963 F CB 2.526 41.544 39.000 0.030 0.000 1.215 963 F HN 0.866 nan 8.300 nan 0.000 0.471 964 A N 1.264 124.228 122.820 0.240 0.000 2.449 964 A HA 0.752 4.886 4.320 -0.310 0.000 0.302 964 A C -1.061 176.617 177.584 0.157 0.000 1.048 964 A CA -0.636 51.491 52.037 0.151 0.000 0.708 964 A CB 1.326 20.381 19.000 0.091 0.000 1.274 964 A HN 0.595 nan 8.150 nan 0.000 0.410 965 S N -0.200 115.575 115.700 0.124 0.000 2.616 965 S HA 0.614 4.898 4.470 -0.310 0.000 0.277 965 S C -0.633 174.013 174.600 0.077 0.000 1.234 965 S CA -0.403 57.867 58.200 0.117 0.000 1.028 965 S CB 1.177 64.449 63.200 0.119 0.000 0.988 965 S HN 1.092 nan 8.310 nan 0.000 0.522 966 C N 2.856 122.194 119.300 0.062 0.000 2.642 966 C HA 0.468 4.742 4.460 -0.310 0.000 0.344 966 C C -0.035 174.959 174.990 0.008 0.000 1.110 966 C CA -0.789 58.248 59.018 0.032 0.000 1.298 966 C CB 0.478 28.240 27.740 0.036 0.000 1.827 966 C HN 0.940 nan 8.230 nan 0.000 0.467 967 N N 2.910 121.615 118.700 0.008 0.000 2.235 967 N HA 0.230 4.784 4.740 -0.310 0.000 0.209 967 N C -0.774 174.767 175.510 0.051 0.000 1.122 967 N CA 0.144 53.204 53.050 0.017 0.000 0.845 967 N CB 0.421 38.962 38.487 0.090 0.000 1.004 967 N HN 0.542 nan 8.380 nan 0.000 0.499 968 L N 1.642 122.879 121.223 0.023 0.000 2.366 968 L HA 0.290 4.444 4.340 -0.310 0.000 0.266 968 L C 0.831 177.717 176.870 0.027 0.000 1.010 968 L CA -0.137 54.721 54.840 0.030 0.000 0.879 968 L CB 1.112 43.170 42.059 -0.002 0.000 1.228 968 L HN -0.099 nan 8.230 nan 0.000 0.439 969 L N 1.845 123.087 121.223 0.031 0.000 2.179 969 L HA -0.043 4.111 4.340 -0.310 0.000 0.208 969 L C 2.348 179.251 176.870 0.054 0.000 1.096 969 L CA 0.681 55.548 54.840 0.044 0.000 0.779 969 L CB -0.743 41.346 42.059 0.051 0.000 0.922 969 L HN 0.716 nan 8.230 nan 0.000 0.443 970 R N 1.145 121.677 120.500 0.053 0.000 2.162 970 R HA -0.207 3.947 4.340 -0.310 0.000 0.245 970 R C -0.503 175.822 176.300 0.040 0.000 1.129 970 R CA 2.292 58.421 56.100 0.049 0.000 0.940 970 R CB -1.751 28.571 30.300 0.036 0.000 0.875 970 R HN 0.196 nan 8.270 nan 0.000 0.437 971 P HA -0.112 nan 4.420 nan 0.000 0.215 971 P C 1.351 178.673 177.300 0.036 0.000 1.153 971 P CA 1.233 64.352 63.100 0.031 0.000 0.853 971 P CB -0.052 31.665 31.700 0.028 0.000 0.788 972 V N -0.513 119.425 119.914 0.040 0.000 2.231 972 V HA -0.286 3.648 4.120 -0.310 0.000 0.248 972 V C 2.386 178.500 176.094 0.034 0.000 1.054 972 V CA 1.949 64.273 62.300 0.040 0.000 1.015 972 V CB -1.143 30.708 31.823 0.047 0.000 0.638 972 V HN 0.104 nan 8.190 nan 0.000 0.444 973 M N -0.297 119.327 119.600 0.039 0.000 2.279 973 M HA -0.073 4.221 4.480 -0.310 0.000 0.264 973 M C 2.326 178.635 176.300 0.015 0.000 1.062 973 M CA 1.816 57.133 55.300 0.029 0.000 1.099 973 M CB -1.519 31.112 32.600 0.052 0.000 1.394 973 M HN 0.436 nan 8.290 nan 0.000 0.426 974 A N 0.267 123.099 122.820 0.020 0.000 2.019 974 A HA 0.063 4.197 4.320 -0.310 0.000 0.219 974 A C 2.174 179.760 177.584 0.004 0.000 1.164 974 A CA 1.656 53.697 52.037 0.007 0.000 0.644 974 A CB -0.624 18.384 19.000 0.014 0.000 0.805 974 A HN 0.482 nan 8.150 nan 0.000 0.449 975 A N -0.531 122.301 122.820 0.020 0.000 2.259 975 A HA 0.243 4.377 4.320 -0.310 0.000 0.208 975 A C 0.849 178.442 177.584 0.013 0.000 1.201 975 A CA -0.006 52.052 52.037 0.035 0.000 0.824 975 A CB -0.446 18.595 19.000 0.068 0.000 0.838 975 A HN 0.493 nan 8.150 nan 0.000 0.485 976 R N -1.172 119.323 120.500 -0.009 0.000 2.965 976 R HA -0.146 4.008 4.340 -0.310 0.000 0.245 976 R C -2.580 173.701 176.300 -0.032 0.000 0.861 976 R CA 0.729 56.813 56.100 -0.027 0.000 0.614 976 R CB -1.898 28.383 30.300 -0.031 0.000 1.229 976 R HN 0.483 nan 8.270 nan 0.000 0.503 977 P HA 0.134 nan 4.420 nan 0.000 0.278 977 P C 0.101 177.324 177.300 -0.129 0.000 1.258 977 P CA -0.488 62.569 63.100 -0.071 0.000 0.811 977 P CB 0.769 32.431 31.700 -0.064 0.000 1.063 978 M N 1.041 120.536 119.600 -0.176 0.000 2.216 978 M HA 0.322 4.616 4.480 -0.310 0.000 0.356 978 M C 0.254 176.316 176.300 -0.397 0.000 1.205 978 M CA -0.494 54.612 55.300 -0.322 0.000 1.122 978 M CB 1.188 33.596 32.600 -0.321 0.000 1.571 978 M HN 0.179 nan 8.290 nan 0.000 0.464 979 V N 1.444 121.053 119.914 -0.509 0.000 3.102 979 V HA 0.875 4.809 4.120 -0.310 0.000 0.312 979 V C -0.932 174.875 176.094 -0.477 0.000 1.135 979 V CA -0.791 61.270 62.300 -0.397 0.000 1.022 979 V CB 2.273 33.935 31.823 -0.268 0.000 1.056 979 V HN 0.592 nan 8.190 nan 0.000 0.436 980 V N 4.023 123.771 119.914 -0.277 0.000 2.524 980 V HA 0.729 4.663 4.120 -0.310 0.000 0.297 980 V C -0.416 175.620 176.094 -0.096 0.000 1.035 980 V CA -0.112 62.084 62.300 -0.174 0.000 0.867 980 V CB 1.092 32.862 31.823 -0.089 0.000 1.004 980 V HN 1.164 nan 8.190 nan 0.000 0.426 981 L N 2.505 123.671 121.223 -0.095 0.000 2.630 981 L HA 1.082 5.236 4.340 -0.310 0.000 0.258 981 L C 0.008 176.861 176.870 -0.028 0.000 1.072 981 L CA -0.795 54.011 54.840 -0.056 0.000 0.885 981 L CB 2.128 44.066 42.059 -0.201 0.000 1.502 981 L HN 0.595 nan 8.230 nan 0.000 0.406 982 G N 0.934 109.761 108.800 0.046 0.000 2.353 982 G HA2 0.568 4.342 3.960 -0.310 0.000 0.284 982 G HA3 0.568 4.342 3.960 -0.310 0.000 0.284 982 G C -1.431 173.502 174.900 0.055 0.000 1.172 982 G CA -0.342 44.799 45.100 0.069 0.000 0.854 982 G HN 0.627 nan 8.290 nan 0.000 0.485 983 L N 2.143 123.389 121.223 0.039 0.000 2.409 983 L HA 0.730 4.884 4.340 -0.310 0.000 0.272 983 L C -0.227 176.660 176.870 0.029 0.000 0.980 983 L CA -0.609 54.252 54.840 0.036 0.000 0.826 983 L CB 2.431 44.508 42.059 0.029 0.000 1.268 983 L HN 0.424 nan 8.230 nan 0.000 0.407 984 S N 6.029 121.746 115.700 0.028 0.000 2.640 984 S HA 0.648 4.932 4.470 -0.310 0.000 0.320 984 S C -0.560 174.010 174.600 -0.051 0.000 1.097 984 S CA -0.597 57.603 58.200 0.000 0.000 1.092 984 S CB 0.255 63.469 63.200 0.023 0.000 0.988 984 S HN 0.533 nan 8.310 nan 0.000 0.470 985 I N 4.863 125.362 120.570 -0.119 0.000 2.352 985 I HA 0.302 4.286 4.170 -0.310 0.000 0.290 985 I C 0.499 176.609 176.117 -0.011 0.000 1.036 985 I CA -0.325 60.838 61.300 -0.229 0.000 1.336 985 I CB 1.445 39.167 38.000 -0.463 0.000 1.407 985 I HN 0.671 nan 8.210 nan 0.000 0.497 986 S N 5.419 121.130 115.700 0.019 0.000 2.501 986 S HA 0.701 4.985 4.470 -0.310 0.000 0.301 986 S C -0.668 173.919 174.600 -0.021 0.000 1.096 986 S CA -1.038 57.276 58.200 0.189 0.000 1.063 986 S CB 1.854 65.201 63.200 0.246 0.000 1.042 986 S HN 0.450 nan 8.310 nan 0.000 0.494 987 K N 2.104 122.423 120.400 -0.135 0.000 2.502 987 K HA 0.550 4.684 4.320 -0.310 0.000 0.254 987 K C -1.070 175.112 176.600 -0.696 0.000 0.947 987 K CA -0.490 55.452 56.287 -0.574 0.000 0.834 987 K CB 0.922 32.990 32.500 -0.721 0.000 1.112 987 K HN 0.747 nan 8.250 nan 0.000 0.427 998 F N 4.386 124.123 119.950 -0.354 0.000 2.457 998 F HA 0.842 5.183 4.527 -0.310 0.000 0.330 998 F C 0.561 175.983 175.800 -0.629 0.000 1.069 998 F CA -0.379 57.365 58.000 -0.427 0.000 1.009 998 F CB 1.475 40.271 39.000 -0.340 0.000 1.276 998 F HN 0.397 nan 8.300 nan 0.000 0.492 999 Q N 0.950 120.665 119.800 -0.141 0.000 2.413 999 Q HA 0.811 4.965 4.340 -0.310 0.000 0.276 999 Q C -1.404 174.613 176.000 0.027 0.000 1.099 999 Q CA -1.221 54.512 55.803 -0.116 0.000 0.814 999 Q CB 2.390 31.189 28.738 0.102 0.000 1.379 999 Q HN 0.713 nan 8.270 nan 0.000 0.436 1000 A N 0.155 122.995 122.820 0.033 0.000 2.456 1000 A HA 0.663 4.797 4.320 -0.310 0.000 0.288 1000 A C -0.238 177.388 177.584 0.069 0.000 1.042 1000 A CA -0.374 51.756 52.037 0.156 0.000 0.738 1000 A CB 1.362 20.514 19.000 0.253 0.000 1.266 1000 A HN 0.673 nan 8.150 nan 0.000 0.407 1001 G N 2.748 111.670 108.800 0.203 0.000 2.639 1001 G HA2 0.380 4.154 3.960 -0.310 0.000 0.312 1001 G HA3 0.380 4.154 3.960 -0.310 0.000 0.312 1001 G C -0.432 174.568 174.900 0.166 0.000 0.911 1001 G CA -0.495 44.685 45.100 0.133 0.000 1.410 1001 G HN 0.656 nan 8.290 nan 0.000 0.469 1002 N N 1.726 120.494 118.700 0.113 0.000 2.475 1002 N HA -0.014 4.540 4.740 -0.310 0.000 0.267 1002 N C -0.104 175.552 175.510 0.243 0.000 1.169 1002 N CA -0.247 52.909 53.050 0.177 0.000 0.947 1002 N CB 1.458 40.022 38.487 0.128 0.000 1.061 1002 N HN 0.495 nan 8.380 nan 0.000 0.466 1003 W N 3.288 124.639 121.300 0.086 0.000 2.724 1003 W HA 0.226 4.700 4.660 -0.309 0.000 0.347 1003 W C -0.172 176.391 176.519 0.073 0.000 1.338 1003 W CA -0.904 56.490 57.345 0.082 0.000 1.450 1003 W CB -0.528 28.985 29.460 0.088 0.000 1.534 1003 W HN 0.512 nan 8.180 nan 0.000 0.508 1004 A N 4.319 127.382 122.820 0.405 0.000 3.322 1004 A HA 0.806 4.940 4.320 -0.310 0.000 0.201 1004 A C -0.220 177.560 177.584 0.326 0.000 1.668 1004 A CA -0.019 52.188 52.037 0.283 0.000 0.861 1004 A CB 0.517 19.611 19.000 0.158 0.000 1.769 1004 A HN 0.617 nan 8.150 nan 0.000 0.578 1005 S N -1.661 114.165 115.700 0.211 0.000 2.595 1005 S HA 0.670 4.954 4.470 -0.310 0.000 0.281 1005 S C -0.929 173.741 174.600 0.117 0.000 1.117 1005 S CA -0.678 57.640 58.200 0.197 0.000 0.873 1005 S CB 0.673 63.989 63.200 0.195 0.000 1.108 1005 S HN 0.605 nan 8.310 nan 0.000 0.477 1006 L N 1.825 123.100 121.223 0.087 0.000 2.367 1006 L HA 0.387 4.540 4.340 -0.310 0.000 0.275 1006 L C 0.168 177.049 176.870 0.019 0.000 1.129 1006 L CA -0.182 54.684 54.840 0.044 0.000 0.839 1006 L CB 0.425 42.494 42.059 0.017 0.000 1.133 1006 L HN 0.574 nan 8.230 nan 0.000 0.453 1007 M N 1.724 121.337 119.600 0.021 0.000 2.444 1007 M HA 0.463 4.757 4.480 -0.310 0.000 0.319 1007 M C 0.940 177.222 176.300 -0.030 0.000 1.183 1007 M CA 0.097 55.393 55.300 -0.006 0.000 1.032 1007 M CB 1.559 34.163 32.600 0.007 0.000 1.569 1007 M HN 0.821 nan 8.290 nan 0.000 0.468 1008 G N 0.322 109.081 108.800 -0.069 0.000 2.192 1008 G HA2 0.046 3.819 3.960 -0.310 0.000 0.193 1008 G HA3 0.046 3.819 3.960 -0.310 0.000 0.193 1008 G C 0.453 175.289 174.900 -0.107 0.000 0.999 1008 G CA -0.030 45.012 45.100 -0.097 0.000 0.659 1008 G HN 1.393 nan 8.290 nan 0.000 0.503 1009 G N 0.650 109.388 108.800 -0.104 0.000 2.581 1009 G HA2 -0.239 3.535 3.960 -0.310 0.000 0.291 1009 G HA3 -0.239 3.535 3.960 -0.310 0.000 0.291 1009 G C 0.945 175.772 174.900 -0.122 0.000 1.277 1009 G CA 1.264 46.294 45.100 -0.116 0.000 0.959 1009 G HN 1.288 nan 8.290 nan 0.000 0.554 1010 K N 1.253 121.579 120.400 -0.124 0.000 2.444 1010 K HA -0.067 4.067 4.320 -0.310 0.000 0.200 1010 K C 2.166 178.696 176.600 -0.118 0.000 1.045 1010 K CA 1.676 57.888 56.287 -0.124 0.000 0.934 1010 K CB -0.209 32.227 32.500 -0.107 0.000 0.756 1010 K HN 0.423 nan 8.250 nan 0.000 0.477 1011 N N 0.260 118.890 118.700 -0.117 0.000 2.216 1011 N HA -0.061 4.493 4.740 -0.310 0.000 0.183 1011 N C 1.668 177.161 175.510 -0.028 0.000 1.017 1011 N CA 1.257 54.236 53.050 -0.118 0.000 0.861 1011 N CB -0.118 38.278 38.487 -0.151 0.000 0.986 1011 N HN 0.244 nan 8.380 nan 0.000 0.428 1012 A N -0.030 122.775 122.820 -0.025 0.000 1.898 1012 A HA 0.012 4.146 4.320 -0.310 0.000 0.216 1012 A C 1.163 178.719 177.584 -0.047 0.000 1.181 1012 A CA 0.836 52.880 52.037 0.012 0.000 0.620 1012 A CB -0.142 18.843 19.000 -0.025 0.000 0.819 1012 A HN 0.432 nan 8.150 nan 0.000 0.442 1013 C N -1.258 117.967 119.300 -0.125 0.000 2.989 1013 C HA 0.502 4.776 4.460 -0.310 0.000 0.397 1013 C C -2.151 172.720 174.990 -0.197 0.000 1.022 1013 C CA -0.741 58.144 59.018 -0.222 0.000 1.232 1013 C CB 1.503 29.034 27.740 -0.348 0.000 1.638 1013 C HN 0.245 nan 8.230 nan 0.000 0.534 1014 P HA -0.058 nan 4.420 nan 0.000 0.222 1014 P C 1.059 178.289 177.300 -0.116 0.000 1.147 1014 P CA 1.303 64.338 63.100 -0.108 0.000 0.790 1014 P CB 0.207 31.878 31.700 -0.049 0.000 0.780 1015 L N -1.064 120.067 121.223 -0.153 0.000 2.592 1015 L HA 0.156 4.310 4.340 -0.310 0.000 0.227 1015 L C 1.084 177.812 176.870 -0.238 0.000 1.127 1015 L CA -0.222 54.546 54.840 -0.119 0.000 0.884 1015 L CB -0.235 41.798 42.059 -0.044 0.000 1.065 1015 L HN -0.086 nan 8.230 nan 0.000 0.457 1016 L N 1.423 122.439 121.223 -0.344 0.000 2.325 1016 L HA 0.268 4.422 4.340 -0.310 0.000 0.284 1016 L C -0.206 176.393 176.870 -0.452 0.000 1.089 1016 L CA 0.044 54.518 54.840 -0.609 0.000 0.836 1016 L CB 0.796 42.576 42.059 -0.465 0.000 1.184 1016 L HN 0.054 nan 8.230 nan 0.000 0.444 1017 I N 3.632 123.872 120.570 -0.551 0.000 2.359 1017 I HA 0.184 4.168 4.170 -0.310 0.000 0.294 1017 I C -0.119 175.959 176.117 -0.064 0.000 0.987 1017 I CA -0.599 60.595 61.300 -0.177 0.000 1.225 1017 I CB 1.486 39.476 38.000 -0.016 0.000 1.366 1017 I HN 0.359 nan 8.210 nan 0.000 0.466 1018 F N 7.041 126.922 119.950 -0.116 0.000 2.506 1018 F HA 0.321 4.662 4.527 -0.310 0.000 0.371 1018 F C -0.178 175.599 175.800 -0.037 0.000 1.078 1018 F CA 0.018 57.976 58.000 -0.071 0.000 1.195 1018 F CB 0.181 39.139 39.000 -0.071 0.000 1.099 1018 F HN 0.431 nan 8.300 nan 0.000 0.548 1019 D N 5.896 125.931 120.400 -0.608 0.000 2.400 1019 D HA 0.103 4.557 4.640 -0.310 0.000 0.197 1019 D C 0.256 176.269 176.300 -0.478 0.000 1.295 1019 D CA -0.409 53.236 54.000 -0.592 0.000 0.878 1019 D CB 0.786 41.427 40.800 -0.265 0.000 1.659 1019 D HN 0.715 nan 8.370 nan 0.000 0.546 1020 R N 0.769 120.920 120.500 -0.581 0.000 2.341 1020 R HA -0.042 4.112 4.340 -0.310 0.000 0.213 1020 R C 1.582 177.677 176.300 -0.341 0.000 1.082 1020 R CA 1.478 57.368 56.100 -0.350 0.000 1.017 1020 R CB -0.095 30.036 30.300 -0.283 0.000 0.860 1020 R HN 0.457 nan 8.270 nan 0.000 0.473 1021 T N -1.325 112.941 114.554 -0.480 0.000 3.107 1021 T HA 0.074 4.238 4.350 -0.310 0.000 0.249 1021 T C 0.461 175.016 174.700 -0.241 0.000 1.096 1021 T CA -0.490 61.329 62.100 -0.468 0.000 1.012 1021 T CB -0.004 68.494 68.868 -0.617 0.000 0.977 1021 T HN 0.247 nan 8.240 nan 0.000 0.527 1022 R N -0.417 119.950 120.500 -0.221 0.000 2.698 1022 R HA 0.760 4.914 4.340 -0.310 0.000 0.275 1022 R C -1.504 174.660 176.300 -0.226 0.000 1.001 1022 R CA -1.214 54.725 56.100 -0.268 0.000 0.896 1022 R CB 1.282 31.386 30.300 -0.326 0.000 1.218 1022 R HN -0.160 nan 8.270 nan 0.000 0.462 1023 K N 1.607 121.747 120.400 -0.433 0.000 2.281 1023 K HA 0.551 4.684 4.320 -0.310 0.000 0.242 1023 K C -1.021 175.347 176.600 -0.387 0.000 0.971 1023 K CA -0.667 55.426 56.287 -0.323 0.000 0.834 1023 K CB 1.303 33.323 32.500 -0.801 0.000 1.181 1023 K HN 0.406 nan 8.250 nan 0.000 0.435 1024 F N -0.464 119.548 119.950 0.103 0.000 2.598 1024 F HA 0.607 4.948 4.527 -0.310 0.000 0.327 1024 F C -0.261 175.756 175.800 0.361 0.000 1.057 1024 F CA -0.930 57.175 58.000 0.175 0.000 0.957 1024 F CB 1.787 40.834 39.000 0.078 0.000 1.278 1024 F HN 0.061 nan 8.300 nan 0.000 0.484 1025 V N 1.426 121.591 119.914 0.418 0.000 2.777 1025 V HA 0.430 4.364 4.120 -0.310 0.000 0.306 1025 V C -0.936 175.246 176.094 0.147 0.000 1.112 1025 V CA -0.984 61.465 62.300 0.249 0.000 0.917 1025 V CB 1.607 33.559 31.823 0.215 0.000 1.018 1025 V HN 0.559 nan 8.190 nan 0.000 0.426 1026 L N 3.599 124.856 121.223 0.056 0.000 2.276 1026 L HA 0.889 5.042 4.340 -0.310 0.000 0.286 1026 L C 0.373 177.247 176.870 0.007 0.000 1.061 1026 L CA -0.325 54.537 54.840 0.036 0.000 0.807 1026 L CB 1.520 43.566 42.059 -0.021 0.000 1.177 1026 L HN 0.920 nan 8.230 nan 0.000 0.429 1027 A N 2.879 125.726 122.820 0.045 0.000 2.393 1027 A HA 0.577 4.711 4.320 -0.310 0.000 0.306 1027 A C -1.186 176.377 177.584 -0.034 0.000 1.050 1027 A CA -0.469 51.554 52.037 -0.022 0.000 0.724 1027 A CB 1.805 20.802 19.000 -0.004 0.000 1.248 1027 A HN 0.767 nan 8.150 nan 0.000 0.424 1028 C N 5.258 124.492 119.300 -0.109 0.000 2.322 1028 C HA 0.760 5.034 4.460 -0.310 0.000 0.324 1028 C C -2.450 172.452 174.990 -0.146 0.000 1.249 1028 C CA -2.041 56.874 59.018 -0.171 0.000 1.453 1028 C CB 0.969 28.563 27.740 -0.244 0.000 2.145 1028 C HN 0.739 nan 8.230 nan 0.000 0.466 1029 P HA 0.175 nan 4.420 nan 0.000 0.270 1029 P C -0.228 177.075 177.300 0.005 0.000 1.223 1029 P CA 0.423 63.498 63.100 -0.041 0.000 0.785 1029 P CB 1.087 32.804 31.700 0.028 0.000 0.923 1030 R N 1.121 121.675 120.500 0.090 0.000 2.306 1030 R HA 0.254 4.408 4.340 -0.310 0.000 0.183 1030 R C 0.669 177.036 176.300 0.112 0.000 0.937 1030 R CA -0.007 56.137 56.100 0.075 0.000 1.118 1030 R CB -0.226 30.073 30.300 -0.001 0.000 1.224 1030 R HN 0.537 nan 8.270 nan 0.000 0.597 1031 A N 0.927 123.796 122.820 0.081 0.000 2.545 1031 A HA 0.399 4.533 4.320 -0.310 0.000 0.253 1031 A C 0.899 178.510 177.584 0.045 0.000 1.074 1031 A CA 1.175 53.230 52.037 0.030 0.000 0.760 1031 A CB -0.424 18.582 19.000 0.011 0.000 1.005 1031 A HN 0.680 nan 8.150 nan 0.000 0.506 1032 G N 0.802 109.535 108.800 -0.112 0.000 2.179 1032 G HA2 -0.218 3.556 3.960 -0.310 0.000 0.220 1032 G HA3 -0.218 3.556 3.960 -0.310 0.000 0.220 1032 G C 0.210 174.602 174.900 -0.846 0.000 0.990 1032 G CA 0.590 45.458 45.100 -0.386 0.000 0.646 1032 G HN 0.805 nan 8.290 nan 0.000 0.517 1033 F N -1.045 118.729 119.950 -0.294 0.000 1.901 1033 F HA 0.316 4.657 4.527 -0.309 0.000 0.239 1033 F C 1.920 177.308 175.800 -0.686 0.000 1.133 1033 F CA 0.893 58.575 58.000 -0.530 0.000 1.271 1033 F CB -0.079 38.446 39.000 -0.791 0.000 1.652 1033 F HN 0.349 nan 8.300 nan 0.000 0.543 1034 V N -2.679 116.891 119.914 -0.573 0.000 3.319 1034 V HA 0.446 4.380 4.120 -0.310 0.000 0.317 1034 V C -0.219 175.629 176.094 -0.410 0.000 1.411 1034 V CA -0.853 60.889 62.300 -0.929 0.000 1.112 1034 V CB -0.757 30.340 31.823 -1.209 0.000 1.031 1034 V HN 0.305 nan 8.190 nan 0.000 0.448 1035 C N 0.621 119.799 119.300 -0.202 0.000 3.173 1035 C HA 0.855 5.129 4.460 -0.310 0.000 0.310 1035 C C 0.757 175.715 174.990 -0.054 0.000 1.306 1035 C CA -0.609 58.362 59.018 -0.078 0.000 1.426 1035 C CB 1.538 29.243 27.740 -0.057 0.000 1.800 1035 C HN 0.694 nan 8.230 nan 0.000 0.470 1036 A N 1.465 124.272 122.820 -0.021 0.000 2.531 1036 A HA 0.505 4.639 4.320 -0.310 0.000 0.236 1036 A C 0.626 178.186 177.584 -0.040 0.000 1.062 1036 A CA 0.607 52.632 52.037 -0.022 0.000 0.760 1036 A CB -0.096 18.901 19.000 -0.005 0.000 0.995 1036 A HN 1.761 nan 8.150 nan 0.000 0.501 1037 A N 3.030 125.819 122.820 -0.052 0.000 2.520 1037 A HA 0.449 4.583 4.320 -0.310 0.000 0.235 1037 A C 1.153 178.715 177.584 -0.036 0.000 1.065 1037 A CA 0.366 52.368 52.037 -0.058 0.000 0.764 1037 A CB -0.368 18.591 19.000 -0.068 0.000 1.002 1037 A HN 1.129 nan 8.150 nan 0.000 0.502 1049 L N 1.017 122.238 121.223 -0.004 0.000 2.269 1049 L HA 0.425 4.579 4.340 -0.310 0.000 0.200 1049 L C 2.296 179.175 176.870 0.015 0.000 1.069 1049 L CA 1.468 56.310 54.840 0.002 0.000 0.804 1049 L CB -0.797 41.255 42.059 -0.012 0.000 0.987 1049 L HN 0.556 nan 8.230 nan 0.000 0.468 1050 C N 0.527 119.834 119.300 0.010 0.000 2.398 1050 C HA -0.223 4.051 4.460 -0.310 0.000 0.279 1050 C C 2.686 177.694 174.990 0.030 0.000 1.250 1050 C CA 1.485 60.517 59.018 0.024 0.000 1.786 1050 C CB -1.103 26.646 27.740 0.015 0.000 2.018 1050 C HN 0.730 nan 8.230 nan 0.000 0.494 1051 E N 0.420 120.633 120.200 0.021 0.000 2.016 1051 E HA -0.240 3.924 4.350 -0.310 0.000 0.190 1051 E C 2.277 178.893 176.600 0.026 0.000 0.985 1051 E CA 1.022 57.435 56.400 0.021 0.000 0.802 1051 E CB -0.541 29.168 29.700 0.014 0.000 0.762 1051 E HN 0.653 nan 8.360 nan 0.000 0.448 1052 Q N 0.446 120.260 119.800 0.024 0.000 2.077 1052 Q HA -0.212 3.942 4.340 -0.310 0.000 0.206 1052 Q C 2.426 178.449 176.000 0.038 0.000 0.989 1052 Q CA 1.891 57.710 55.803 0.027 0.000 0.853 1052 Q CB -0.133 28.619 28.738 0.022 0.000 0.907 1052 Q HN 0.426 nan 8.270 nan 0.000 0.418 1053 L N 0.004 121.256 121.223 0.049 0.000 1.961 1053 L HA -0.177 3.977 4.340 -0.310 0.000 0.210 1053 L C 2.266 179.175 176.870 0.064 0.000 1.072 1053 L CA 1.393 56.275 54.840 0.069 0.000 0.749 1053 L CB -0.388 41.730 42.059 0.098 0.000 0.889 1053 L HN 0.116 nan 8.230 nan 0.000 0.432 1054 R N 0.248 120.785 120.500 0.060 0.000 2.389 1054 R HA -0.025 4.129 4.340 -0.310 0.000 0.210 1054 R C 1.409 177.734 176.300 0.042 0.000 1.157 1054 R CA 0.406 56.538 56.100 0.054 0.000 1.169 1054 R CB -0.356 29.974 30.300 0.051 0.000 1.004 1054 R HN 0.439 nan 8.270 nan 0.000 0.482 1055 G N -0.487 108.337 108.800 0.040 0.000 2.728 1055 G HA2 0.033 3.807 3.960 -0.310 0.000 0.203 1055 G HA3 0.033 3.807 3.960 -0.310 0.000 0.203 1055 G C 1.179 176.099 174.900 0.034 0.000 1.073 1055 G CA -0.219 44.901 45.100 0.032 0.000 0.778 1055 G HN 0.130 nan 8.290 nan 0.000 0.553 1056 I N 0.853 121.447 120.570 0.041 0.000 2.584 1056 I HA 0.096 4.079 4.170 -0.310 0.000 0.255 1056 I C 2.253 178.397 176.117 0.046 0.000 1.145 1056 I CA 0.533 61.858 61.300 0.042 0.000 1.462 1056 I CB 0.006 38.034 38.000 0.047 0.000 1.102 1056 I HN 0.057 nan 8.210 nan 0.000 0.433 1057 I N 0.027 120.628 120.570 0.050 0.000 2.700 1057 I HA -0.235 3.749 4.170 -0.310 0.000 0.261 1057 I C 2.462 178.605 176.117 0.044 0.000 1.219 1057 I CA 0.788 62.120 61.300 0.053 0.000 1.463 1057 I CB -0.249 37.786 38.000 0.059 0.000 1.092 1057 I HN 0.233 nan 8.210 nan 0.000 0.452 1058 S N 0.892 116.615 115.700 0.037 0.000 2.310 1058 S HA -0.088 4.196 4.470 -0.310 0.000 0.176 1058 S C 1.069 175.685 174.600 0.028 0.000 1.002 1058 S CA 0.048 58.267 58.200 0.030 0.000 1.105 1058 S CB -0.152 63.064 63.200 0.027 0.000 0.852 1058 S HN 0.377 nan 8.310 nan 0.000 0.475 1059 E N 1.064 121.280 120.200 0.026 0.000 1.800 1059 E HA 0.382 4.546 4.350 -0.310 0.000 0.262 1059 E C -0.326 176.292 176.600 0.029 0.000 1.219 1059 E CA -0.132 56.283 56.400 0.024 0.000 1.051 1059 E CB -0.763 28.950 29.700 0.021 0.000 1.074 1059 E HN 0.500 nan 8.360 nan 0.000 0.433 1060 G N 1.301 110.119 108.800 0.031 0.000 2.718 1060 G HA2 0.523 4.297 3.960 -0.310 0.000 0.295 1060 G HA3 0.523 4.297 3.960 -0.310 0.000 0.295 1060 G C -0.051 174.871 174.900 0.035 0.000 1.421 1060 G CA -0.371 44.752 45.100 0.037 0.000 0.902 1060 G HN 0.419 nan 8.290 nan 0.000 0.501 1061 G N -0.201 108.623 108.800 0.041 0.000 3.411 1061 G HA2 0.503 4.277 3.960 -0.310 0.000 0.186 1061 G HA3 0.503 4.277 3.960 -0.310 0.000 0.186 1061 G C 1.371 176.294 174.900 0.038 0.000 1.766 1061 G CA 0.958 46.078 45.100 0.034 0.000 0.971 1061 G HN 1.369 nan 8.290 nan 0.000 0.590 1062 A N -0.855 121.987 122.820 0.038 0.000 2.147 1062 A HA 0.597 4.731 4.320 -0.310 0.000 0.211 1062 A C 1.862 179.484 177.584 0.063 0.000 1.160 1062 A CA 1.426 53.486 52.037 0.039 0.000 0.781 1062 A CB -0.012 18.998 19.000 0.018 0.000 0.842 1062 A HN 1.078 nan 8.150 nan 0.000 0.475 1063 A N -0.224 122.650 122.820 0.090 0.000 2.577 1063 A HA 0.488 4.622 4.320 -0.310 0.000 0.280 1063 A C 1.427 179.075 177.584 0.106 0.000 1.331 1063 A CA 0.261 52.379 52.037 0.136 0.000 0.935 1063 A CB -0.504 18.671 19.000 0.291 0.000 1.082 1063 A HN 0.179 nan 8.150 nan 0.000 0.525 1064 V N 0.154 120.117 119.914 0.082 0.000 2.324 1064 V HA -0.373 3.561 4.120 -0.310 0.000 0.250 1064 V C 3.046 179.174 176.094 0.058 0.000 1.060 1064 V CA 2.395 64.737 62.300 0.069 0.000 1.042 1064 V CB -1.261 30.605 31.823 0.071 0.000 0.650 1064 V HN 0.653 nan 8.190 nan 0.000 0.450 1065 A N 0.215 123.062 122.820 0.046 0.000 1.859 1065 A HA -0.264 3.869 4.320 -0.310 0.000 0.217 1065 A C 2.486 180.083 177.584 0.022 0.000 1.198 1065 A CA 2.706 54.740 52.037 -0.006 0.000 0.629 1065 A CB -0.993 17.974 19.000 -0.054 0.000 0.830 1065 A HN 0.558 nan 8.150 nan 0.000 0.446 1066 S N 0.311 116.032 115.700 0.034 0.000 2.353 1066 S HA -0.167 4.117 4.470 -0.310 0.000 0.222 1066 S C 2.261 176.895 174.600 0.056 0.000 1.035 1066 S CA 1.597 59.824 58.200 0.044 0.000 1.025 1066 S CB -0.621 62.611 63.200 0.052 0.000 0.902 1066 S HN 0.626 nan 8.310 nan 0.000 0.440 1067 S N 1.228 116.939 115.700 0.018 0.000 2.365 1067 S HA -0.102 4.182 4.470 -0.310 0.000 0.225 1067 S C 2.042 176.677 174.600 0.059 0.000 1.039 1067 S CA 1.357 59.561 58.200 0.007 0.000 1.033 1067 S CB -0.559 62.652 63.200 0.017 0.000 0.887 1067 S HN 0.332 nan 8.310 nan 0.000 0.447 1068 V N 1.026 120.991 119.914 0.086 0.000 2.427 1068 V HA -0.128 3.806 4.120 -0.310 0.000 0.248 1068 V C 1.853 178.048 176.094 0.168 0.000 1.051 1068 V CA 1.595 63.962 62.300 0.111 0.000 1.048 1068 V CB -0.742 31.140 31.823 0.097 0.000 0.666 1068 V HN 0.447 nan 8.190 nan 0.000 0.456 1069 F N 1.069 121.030 119.950 0.018 0.000 2.069 1069 F HA -0.204 4.137 4.527 -0.310 0.000 0.298 1069 F C 2.235 178.109 175.800 0.123 0.000 1.113 1069 F CA 1.982 60.020 58.000 0.062 0.000 1.214 1069 F CB -0.495 38.504 39.000 -0.002 0.000 0.978 1069 F HN -0.003 nan 8.300 nan 0.000 0.474 1070 V N 0.893 120.887 119.914 0.133 0.000 2.231 1070 V HA -0.379 3.555 4.120 -0.310 0.000 0.248 1070 V C 2.780 178.872 176.094 -0.004 0.000 1.054 1070 V CA 2.189 64.509 62.300 0.033 0.000 1.015 1070 V CB -2.001 29.844 31.823 0.036 0.000 0.638 1070 V HN 0.481 nan 8.190 nan 0.000 0.444 1071 A N 0.040 122.875 122.820 0.025 0.000 1.927 1071 A HA -0.300 3.834 4.320 -0.310 0.000 0.220 1071 A C 2.380 179.973 177.584 0.015 0.000 1.185 1071 A CA 2.941 54.993 52.037 0.024 0.000 0.639 1071 A CB -1.266 17.759 19.000 0.041 0.000 0.820 1071 A HN 0.570 nan 8.150 nan 0.000 0.451 1072 T N -0.394 114.178 114.554 0.030 0.000 2.746 1072 T HA -0.121 4.043 4.350 -0.310 0.000 0.267 1072 T C 1.863 176.532 174.700 -0.052 0.000 1.039 1072 T CA 1.650 63.764 62.100 0.022 0.000 1.142 1072 T CB -0.483 68.494 68.868 0.182 0.000 0.866 1072 T HN 0.204 nan 8.240 nan 0.000 0.444 1073 V N 1.389 121.249 119.914 -0.091 0.000 2.358 1073 V HA -0.090 3.844 4.120 -0.310 0.000 0.246 1073 V C 2.147 178.252 176.094 0.018 0.000 1.047 1073 V CA 1.398 63.684 62.300 -0.024 0.000 1.035 1073 V CB -0.476 31.332 31.823 -0.023 0.000 0.658 1073 V HN 0.453 nan 8.190 nan 0.000 0.452 1074 K N -0.130 120.273 120.400 0.004 0.000 2.525 1074 K HA 0.040 4.174 4.320 -0.310 0.000 0.192 1074 K C 1.815 178.416 176.600 0.002 0.000 1.029 1074 K CA 0.861 57.156 56.287 0.014 0.000 1.029 1074 K CB 0.076 32.584 32.500 0.013 0.000 0.814 1074 K HN 0.400 nan 8.250 nan 0.000 0.503 1075 S N 0.021 115.711 115.700 -0.015 0.000 2.604 1075 S HA 0.260 4.544 4.470 -0.310 0.000 0.235 1075 S C -0.184 174.383 174.600 -0.054 0.000 1.043 1075 S CA -0.465 57.718 58.200 -0.028 0.000 0.997 1075 S CB 0.511 63.693 63.200 -0.029 0.000 0.956 1075 S HN 0.065 nan 8.310 nan 0.000 0.535 1076 L N 1.152 122.334 121.223 -0.067 0.000 2.505 1076 L HA 0.547 4.701 4.340 -0.310 0.000 0.266 1076 L C 1.004 177.814 176.870 -0.099 0.000 0.954 1076 L CA -0.867 53.904 54.840 -0.114 0.000 0.852 1076 L CB 1.798 43.743 42.059 -0.188 0.000 1.282 1076 L HN 0.186 nan 8.230 nan 0.000 0.403 1077 G N 2.587 111.332 108.800 -0.092 0.000 2.792 1077 G HA2 0.036 3.810 3.960 -0.310 0.000 0.147 1077 G HA3 0.036 3.810 3.960 -0.310 0.000 0.147 1077 G C -1.293 173.462 174.900 -0.242 0.000 1.838 1077 G CA 0.400 45.478 45.100 -0.036 0.000 0.980 1077 G HN 0.520 nan 8.290 nan 0.000 0.436 1078 P HA 0.038 nan 4.420 nan 0.000 0.237 1078 P C 1.395 178.206 177.300 -0.816 0.000 1.178 1078 P CA 0.395 62.910 63.100 -0.974 0.000 0.766 1078 P CB 0.078 31.582 31.700 -0.327 0.000 0.876 1079 R N -0.137 120.067 120.500 -0.492 0.000 2.133 1079 R HA -0.110 4.044 4.340 -0.310 0.000 0.247 1079 R C 2.168 178.184 176.300 -0.473 0.000 1.151 1079 R CA 2.059 57.931 56.100 -0.380 0.000 0.971 1079 R CB -1.287 28.851 30.300 -0.270 0.000 0.866 1079 R HN 0.190 nan 8.270 nan 0.000 0.447 1080 T N 0.714 114.890 114.554 -0.631 0.000 2.721 1080 T HA -0.283 3.881 4.350 -0.310 0.000 0.268 1080 T C 1.708 176.124 174.700 -0.473 0.000 1.038 1080 T CA 1.745 63.501 62.100 -0.574 0.000 1.145 1080 T CB -0.203 68.292 68.868 -0.623 0.000 0.858 1080 T HN 0.447 nan 8.240 nan 0.000 0.459 1081 Q N 0.500 119.897 119.800 -0.671 0.000 2.226 1081 Q HA -0.158 3.996 4.340 -0.310 0.000 0.204 1081 Q C 2.193 178.106 176.000 -0.145 0.000 0.975 1081 Q CA 1.277 56.910 55.803 -0.283 0.000 0.866 1081 Q CB -0.106 28.489 28.738 -0.239 0.000 0.915 1081 Q HN 0.609 nan 8.270 nan 0.000 0.440 1082 Q N 0.126 119.796 119.800 -0.216 0.000 2.172 1082 Q HA 0.044 4.198 4.340 -0.310 0.000 0.200 1082 Q C 0.229 176.132 176.000 -0.162 0.000 0.964 1082 Q CA 0.154 55.862 55.803 -0.158 0.000 0.855 1082 Q CB 0.047 28.680 28.738 -0.174 0.000 0.918 1082 Q HN 0.386 nan 8.270 nan 0.000 0.444 1083 L N 2.598 123.663 121.223 -0.262 0.000 2.640 1083 L HA -0.137 4.017 4.340 -0.310 0.000 0.280 1083 L C 0.395 177.169 176.870 -0.161 0.000 1.229 1083 L CA 0.569 55.180 54.840 -0.381 0.000 0.919 1083 L CB -0.038 41.481 42.059 -0.900 0.000 1.168 1083 L HN 0.271 nan 8.230 nan 0.000 0.496 1084 Q N 1.856 121.591 119.800 -0.108 0.000 2.194 1084 Q HA 0.158 4.312 4.340 -0.310 0.000 0.245 1084 Q C 1.015 177.098 176.000 0.139 0.000 0.993 1084 Q CA -0.955 54.872 55.803 0.040 0.000 0.930 1084 Q CB 1.635 30.380 28.738 0.012 0.000 1.238 1084 Q HN 0.531 nan 8.270 nan 0.000 0.486 1085 I N 1.237 121.921 120.570 0.191 0.000 2.248 1085 I HA -0.316 3.668 4.170 -0.310 0.000 0.248 1085 I C 1.485 177.707 176.117 0.175 0.000 1.107 1085 I CA 1.858 63.295 61.300 0.229 0.000 1.373 1085 I CB -0.065 38.015 38.000 0.133 0.000 1.055 1085 I HN 0.620 nan 8.210 nan 0.000 0.418 1086 E N 0.690 120.944 120.200 0.090 0.000 2.051 1086 E HA -0.212 3.952 4.350 -0.310 0.000 0.192 1086 E C 1.997 178.618 176.600 0.034 0.000 0.991 1086 E CA 1.705 58.137 56.400 0.053 0.000 0.799 1086 E CB -0.462 29.250 29.700 0.019 0.000 0.748 1086 E HN 0.550 nan 8.360 nan 0.000 0.449 1087 D N -0.527 119.855 120.400 -0.030 0.000 2.123 1087 D HA -0.180 4.274 4.640 -0.310 0.000 0.196 1087 D C 1.846 178.092 176.300 -0.089 0.000 0.992 1087 D CA 0.995 54.917 54.000 -0.130 0.000 0.833 1087 D CB -0.362 40.263 40.800 -0.291 0.000 0.954 1087 D HN 0.305 nan 8.370 nan 0.000 0.455 1088 W N 0.859 122.159 121.300 0.001 0.000 2.355 1088 W HA -0.121 4.352 4.660 -0.310 0.000 0.309 1088 W C 2.305 178.831 176.519 0.011 0.000 1.206 1088 W CA -0.284 57.067 57.345 0.010 0.000 1.284 1088 W CB -0.501 28.969 29.460 0.018 0.000 1.145 1088 W HN -0.028 nan 8.180 nan 0.000 0.502 1089 L N 0.824 122.201 121.223 0.257 0.000 2.261 1089 L HA -0.103 4.051 4.340 -0.310 0.000 0.216 1089 L C 2.088 179.023 176.870 0.109 0.000 1.114 1089 L CA 2.128 57.060 54.840 0.153 0.000 0.777 1089 L CB -1.070 41.055 42.059 0.110 0.000 0.910 1089 L HN -0.016 nan 8.230 nan 0.000 0.440 1090 A N -1.162 121.711 122.820 0.087 0.000 1.878 1090 A HA -0.008 4.125 4.320 -0.310 0.000 0.213 1090 A C 2.181 179.800 177.584 0.058 0.000 1.192 1090 A CA 1.053 53.119 52.037 0.048 0.000 0.619 1090 A CB -0.640 18.365 19.000 0.009 0.000 0.837 1090 A HN 0.378 nan 8.150 nan 0.000 0.446 1091 L N -0.644 120.624 121.223 0.075 0.000 2.265 1091 L HA 0.014 4.168 4.340 -0.310 0.000 0.215 1091 L C -0.422 176.529 176.870 0.135 0.000 1.117 1091 L CA 0.678 55.574 54.840 0.092 0.000 0.782 1091 L CB -0.172 41.951 42.059 0.105 0.000 0.914 1091 L HN 0.306 nan 8.230 nan 0.000 0.441 1092 L N -1.556 119.761 121.223 0.157 0.000 2.491 1092 L HA 0.266 4.420 4.340 -0.310 0.000 0.267 1092 L C -0.106 176.826 176.870 0.104 0.000 0.971 1092 L CA -0.473 54.445 54.840 0.130 0.000 0.857 1092 L CB 1.669 43.817 42.059 0.149 0.000 1.226 1092 L HN -0.195 nan 8.230 nan 0.000 0.408 1093 E N 1.335 121.582 120.200 0.078 0.000 2.352 1093 E HA -0.011 4.153 4.350 -0.310 0.000 0.197 1093 E C -0.416 176.224 176.600 0.068 0.000 1.224 1093 E CA 0.291 56.731 56.400 0.066 0.000 1.118 1093 E CB 0.067 29.797 29.700 0.050 0.000 1.198 1093 E HN 0.361 nan 8.360 nan 0.000 0.454 1094 D N 0.068 120.516 120.400 0.080 0.000 2.492 1094 D HA 0.018 4.472 4.640 -0.310 0.000 0.248 1094 D C 0.548 176.898 176.300 0.084 0.000 1.101 1094 D CA -0.221 53.830 54.000 0.085 0.000 0.840 1094 D CB 1.555 42.412 40.800 0.095 0.000 1.209 1094 D HN -0.082 nan 8.370 nan 0.000 0.524 1095 E N 3.239 123.492 120.200 0.088 0.000 2.047 1095 E HA -0.227 3.937 4.350 -0.310 0.000 0.191 1095 E C 1.526 178.169 176.600 0.071 0.000 0.987 1095 E CA 1.330 57.776 56.400 0.077 0.000 0.799 1095 E CB -0.300 29.447 29.700 0.078 0.000 0.752 1095 E HN 0.625 nan 8.360 nan 0.000 0.449 1096 Y N 0.898 121.196 120.300 -0.005 0.000 2.049 1096 Y HA -0.228 4.136 4.550 -0.310 0.000 0.277 1096 Y C 2.014 177.888 175.900 -0.044 0.000 1.143 1096 Y CA 2.166 60.254 58.100 -0.021 0.000 1.115 1096 Y CB -0.640 37.809 38.460 -0.018 0.000 0.975 1096 Y HN 0.071 nan 8.280 nan 0.000 0.487 1097 L N -0.557 120.594 121.223 -0.120 0.000 2.043 1097 L HA -0.327 3.826 4.340 -0.310 0.000 0.212 1097 L C 2.499 179.193 176.870 -0.293 0.000 1.075 1097 L CA 1.822 56.528 54.840 -0.223 0.000 0.752 1097 L CB -0.795 41.246 42.059 -0.029 0.000 0.891 1097 L HN 0.249 nan 8.230 nan 0.000 0.432 1098 S N -0.617 114.980 115.700 -0.172 0.000 2.382 1098 S HA -0.200 4.084 4.470 -0.310 0.000 0.228 1098 S C 1.791 176.213 174.600 -0.298 0.000 1.027 1098 S CA 1.277 59.368 58.200 -0.183 0.000 0.991 1098 S CB -0.178 63.052 63.200 0.049 0.000 0.823 1098 S HN 0.466 nan 8.310 nan 0.000 0.469 1099 E N 0.758 120.814 120.200 -0.240 0.000 2.106 1099 E HA -0.112 4.052 4.350 -0.310 0.000 0.192 1099 E C 2.196 178.602 176.600 -0.323 0.000 0.984 1099 E CA 0.762 57.028 56.400 -0.224 0.000 0.806 1099 E CB -0.014 29.583 29.700 -0.171 0.000 0.750 1099 E HN 0.408 nan 8.360 nan 0.000 0.458 1100 E N 0.299 120.224 120.200 -0.457 0.000 2.077 1100 E HA -0.172 3.992 4.350 -0.310 0.000 0.193 1100 E C 2.048 178.381 176.600 -0.446 0.000 0.989 1100 E CA 0.907 57.036 56.400 -0.452 0.000 0.800 1100 E CB -0.083 29.305 29.700 -0.522 0.000 0.746 1100 E HN 0.287 nan 8.360 nan 0.000 0.452 1101 M N -0.216 119.032 119.600 -0.587 0.000 2.202 1101 M HA -0.126 4.168 4.480 -0.310 0.000 0.262 1101 M C 2.206 178.182 176.300 -0.540 0.000 1.063 1101 M CA 1.159 55.974 55.300 -0.808 0.000 1.097 1101 M CB -0.794 30.661 32.600 -1.908 0.000 1.382 1101 M HN 0.089 nan 8.290 nan 0.000 0.413 1102 M N 0.163 119.513 119.600 -0.416 0.000 2.200 1102 M HA -0.125 4.169 4.480 -0.310 0.000 0.265 1102 M C 1.976 178.235 176.300 -0.069 0.000 1.066 1102 M CA 1.527 56.767 55.300 -0.100 0.000 1.127 1102 M CB -0.342 32.230 32.600 -0.046 0.000 1.379 1102 M HN 0.202 nan 8.290 nan 0.000 0.420 1103 E N -0.201 119.903 120.200 -0.161 0.000 2.107 1103 E HA -0.102 4.062 4.350 -0.310 0.000 0.191 1103 E C 1.751 178.245 176.600 -0.177 0.000 0.982 1103 E CA 1.325 57.641 56.400 -0.140 0.000 0.809 1103 E CB -0.347 29.254 29.700 -0.166 0.000 0.756 1103 E HN 0.521 nan 8.360 nan 0.000 0.459 1104 L N -0.102 120.928 121.223 -0.321 0.000 1.948 1104 L HA -0.182 3.972 4.340 -0.310 0.000 0.212 1104 L C 2.664 179.370 176.870 -0.273 0.000 1.074 1104 L CA 1.886 56.395 54.840 -0.552 0.000 0.753 1104 L CB -1.191 40.093 42.059 -1.292 0.000 0.888 1104 L HN 0.261 nan 8.230 nan 0.000 0.432 1105 T N -0.510 114.084 114.554 0.065 0.000 2.680 1105 T HA -0.328 3.836 4.350 -0.310 0.000 0.268 1105 T C 1.753 176.654 174.700 0.335 0.000 1.033 1105 T CA 1.863 64.301 62.100 0.563 0.000 1.152 1105 T CB -0.125 69.141 68.868 0.663 0.000 0.859 1105 T HN 0.460 nan 8.240 nan 0.000 0.452 1106 A N 1.099 124.014 122.820 0.157 0.000 1.858 1106 A HA -0.039 4.095 4.320 -0.310 0.000 0.216 1106 A C 2.446 180.068 177.584 0.064 0.000 1.190 1106 A CA 1.753 53.856 52.037 0.110 0.000 0.617 1106 A CB -0.674 18.358 19.000 0.053 0.000 0.827 1106 A HN 0.625 nan 8.150 nan 0.000 0.443 1107 R N -0.504 119.994 120.500 -0.004 0.000 2.083 1107 R HA -0.133 4.021 4.340 -0.310 0.000 0.237 1107 R C 2.402 178.685 176.300 -0.027 0.000 1.137 1107 R CA 1.338 57.418 56.100 -0.034 0.000 0.951 1107 R CB -0.560 29.688 30.300 -0.087 0.000 0.851 1107 R HN 0.507 nan 8.270 nan 0.000 0.434 1108 A N 0.723 123.526 122.820 -0.028 0.000 2.076 1108 A HA -0.157 3.977 4.320 -0.310 0.000 0.220 1108 A C 1.979 179.523 177.584 -0.066 0.000 1.160 1108 A CA 1.105 53.090 52.037 -0.087 0.000 0.653 1108 A CB -0.288 18.621 19.000 -0.153 0.000 0.801 1108 A HN 0.170 nan 8.150 nan 0.000 0.455 1109 L N -0.540 120.716 121.223 0.056 0.000 2.131 1109 L HA -0.014 4.140 4.340 -0.310 0.000 0.206 1109 L C 2.287 179.184 176.870 0.044 0.000 1.087 1109 L CA 2.131 57.031 54.840 0.099 0.000 0.767 1109 L CB -0.474 41.685 42.059 0.168 0.000 0.917 1109 L HN 0.610 nan 8.230 nan 0.000 0.441 1110 E N -0.997 119.218 120.200 0.025 0.000 2.110 1110 E HA -0.228 3.936 4.350 -0.310 0.000 0.193 1110 E C 2.239 178.835 176.600 -0.006 0.000 0.988 1110 E CA 0.755 57.161 56.400 0.010 0.000 0.804 1110 E CB 0.072 29.772 29.700 0.001 0.000 0.745 1110 E HN 0.262 nan 8.360 nan 0.000 0.458 1111 R N -0.324 120.161 120.500 -0.025 0.000 2.073 1111 R HA -0.080 4.074 4.340 -0.310 0.000 0.234 1111 R C 2.249 178.529 176.300 -0.034 0.000 1.134 1111 R CA 1.379 57.456 56.100 -0.038 0.000 0.952 1111 R CB -0.740 29.521 30.300 -0.065 0.000 0.850 1111 R HN 0.276 nan 8.270 nan 0.000 0.433 1112 G N 0.285 109.063 108.800 -0.036 0.000 3.026 1112 G HA2 -0.114 3.660 3.960 -0.310 0.000 0.208 1112 G HA3 -0.114 3.660 3.960 -0.310 0.000 0.208 1112 G C 0.319 175.225 174.900 0.009 0.000 1.169 1112 G CA -0.096 44.993 45.100 -0.019 0.000 0.788 1112 G HN 0.357 nan 8.290 nan 0.000 0.533 1113 N N -0.838 117.869 118.700 0.011 0.000 2.900 1113 N HA -0.202 4.352 4.740 -0.310 0.000 0.240 1113 N C 1.252 176.783 175.510 0.034 0.000 0.953 1113 N CA 1.744 54.806 53.050 0.019 0.000 0.950 1113 N CB -1.253 37.243 38.487 0.015 0.000 1.102 1113 N HN 1.084 nan 8.380 nan 0.000 0.593 1114 G N -0.554 108.276 108.800 0.050 0.000 2.161 1114 G HA2 -0.119 3.655 3.960 -0.310 0.000 0.140 1114 G HA3 -0.119 3.655 3.960 -0.310 0.000 0.140 1114 G C -0.743 174.210 174.900 0.089 0.000 1.040 1114 G CA -0.158 44.983 45.100 0.070 0.000 0.735 1114 G HN 0.212 nan 8.290 nan 0.000 0.496 1115 E N 0.332 120.588 120.200 0.094 0.000 2.502 1115 E HA 0.141 4.305 4.350 -0.310 0.000 0.261 1115 E C -0.019 176.672 176.600 0.153 0.000 0.974 1115 E CA -0.824 55.647 56.400 0.119 0.000 0.795 1115 E CB 0.933 30.679 29.700 0.076 0.000 1.385 1115 E HN 0.339 nan 8.360 nan 0.000 0.400 1116 W N 3.075 124.396 121.300 0.035 0.000 2.456 1116 W HA -0.125 4.349 4.660 -0.310 0.000 0.343 1116 W C 0.514 177.054 176.519 0.034 0.000 1.211 1116 W CA 2.054 59.425 57.345 0.042 0.000 1.353 1116 W CB 0.540 30.024 29.460 0.039 0.000 1.189 1116 W HN 0.602 nan 8.180 nan 0.000 0.587 1117 S N 1.420 116.739 115.700 -0.635 0.000 6.368 1117 S HA -0.016 4.267 4.470 -0.310 0.000 0.099 1117 S C 0.207 174.584 174.600 -0.372 0.000 1.212 1117 S CA 0.346 58.370 58.200 -0.292 0.000 1.376 1117 S CB 0.405 63.537 63.200 -0.112 0.000 1.894 1117 S HN 0.608 nan 8.310 nan 0.000 0.547 1118 T N 2.094 116.423 114.554 -0.375 0.000 2.937 1118 T HA 0.623 4.787 4.350 -0.310 0.000 0.283 1118 T C -1.772 172.765 174.700 -0.271 0.000 1.012 1118 T CA 0.313 62.265 62.100 -0.245 0.000 0.997 1118 T CB 1.556 70.344 68.868 -0.132 0.000 1.136 1118 T HN 0.584 nan 8.240 nan 0.000 0.551 1119 D N 0.670 121.004 120.400 -0.109 0.000 2.945 1119 D HA 0.394 4.848 4.640 -0.310 0.000 0.366 1119 D C 0.967 177.276 176.300 0.014 0.000 1.352 1119 D CA -0.424 53.577 54.000 0.001 0.000 0.810 1119 D CB -0.068 40.784 40.800 0.086 0.000 1.170 1119 D HN 0.456 nan 8.370 nan 0.000 0.461 1120 A N 0.567 123.372 122.820 -0.025 0.000 2.015 1120 A HA 0.170 4.303 4.320 -0.310 0.000 0.219 1120 A C 2.270 179.849 177.584 -0.007 0.000 1.163 1120 A CA 1.279 53.308 52.037 -0.012 0.000 0.646 1120 A CB -0.517 18.468 19.000 -0.025 0.000 0.806 1120 A HN 0.468 nan 8.150 nan 0.000 0.448 1121 A N 0.006 122.811 122.820 -0.026 0.000 2.076 1121 A HA -0.063 4.071 4.320 -0.310 0.000 0.220 1121 A C 2.058 179.618 177.584 -0.040 0.000 1.160 1121 A CA 1.405 53.408 52.037 -0.056 0.000 0.653 1121 A CB -0.575 18.358 19.000 -0.112 0.000 0.801 1121 A HN 0.516 nan 8.150 nan 0.000 0.455 1122 L N -1.136 120.102 121.223 0.025 0.000 1.943 1122 L HA -0.247 3.907 4.340 -0.310 0.000 0.215 1122 L C 2.644 179.551 176.870 0.061 0.000 1.074 1122 L CA 2.110 56.982 54.840 0.053 0.000 0.759 1122 L CB -0.825 41.279 42.059 0.076 0.000 0.888 1122 L HN 0.490 nan 8.230 nan 0.000 0.433 1123 E N -0.115 120.130 120.200 0.074 0.000 2.070 1123 E HA -0.237 3.927 4.350 -0.310 0.000 0.197 1123 E C 2.189 178.861 176.600 0.120 0.000 1.004 1123 E CA 1.838 58.329 56.400 0.151 0.000 0.805 1123 E CB 0.012 29.773 29.700 0.102 0.000 0.744 1123 E HN 0.240 nan 8.360 nan 0.000 0.451 1124 V N 0.907 120.851 119.914 0.049 0.000 2.252 1124 V HA -0.341 3.593 4.120 -0.310 0.000 0.249 1124 V C 2.343 178.445 176.094 0.013 0.000 1.056 1124 V CA 2.138 64.447 62.300 0.015 0.000 1.022 1124 V CB -0.809 31.006 31.823 -0.013 0.000 0.641 1124 V HN 0.455 nan 8.190 nan 0.000 0.445 1125 A N -0.844 121.982 122.820 0.009 0.000 1.929 1125 A HA -0.218 3.916 4.320 -0.310 0.000 0.216 1125 A C 2.017 179.636 177.584 0.058 0.000 1.176 1125 A CA 1.480 53.516 52.037 -0.001 0.000 0.628 1125 A CB -0.852 18.116 19.000 -0.054 0.000 0.816 1125 A HN 0.709 nan 8.150 nan 0.000 0.444 1126 H N 0.747 119.803 119.070 -0.023 0.000 2.565 1126 H HA -0.075 4.295 4.556 -0.310 0.000 0.285 1126 H C 1.724 177.048 175.328 -0.007 0.000 1.064 1126 H CA 1.198 57.242 56.048 -0.006 0.000 1.196 1126 H CB -0.065 29.701 29.762 0.006 0.000 1.332 1126 H HN 0.616 nan 8.280 nan 0.000 0.621 1127 E N 0.408 120.589 120.200 -0.032 0.000 2.285 1127 E HA -0.034 4.130 4.350 -0.310 0.000 0.194 1127 E C 0.919 177.469 176.600 -0.084 0.000 0.997 1127 E CA 0.670 57.020 56.400 -0.083 0.000 0.845 1127 E CB -0.464 29.212 29.700 -0.040 0.000 0.782 1127 E HN 0.432 nan 8.360 nan 0.000 0.491 1128 A N 2.619 125.408 122.820 -0.053 0.000 3.288 1128 A HA -0.042 4.092 4.320 -0.310 0.000 0.278 1128 A C -0.043 177.507 177.584 -0.057 0.000 2.092 1128 A CA 0.359 52.374 52.037 -0.037 0.000 1.493 1128 A CB -0.606 18.390 19.000 -0.006 0.000 0.876 1128 A HN 0.175 nan 8.150 nan 0.000 0.587 1129 E N -0.198 119.959 120.200 -0.072 0.000 2.538 1129 E HA 0.915 5.079 4.350 -0.310 0.000 0.232 1129 E C 0.014 176.582 176.600 -0.053 0.000 0.830 1129 E CA -0.097 56.258 56.400 -0.075 0.000 0.916 1129 E CB 1.288 30.924 29.700 -0.107 0.000 1.567 1129 E HN 0.882 nan 8.360 nan 0.000 0.389 1130 A N 0.000 122.790 122.820 -0.051 0.000 2.254 1130 A HA 0.000 4.134 4.320 -0.310 0.000 0.244 1130 A CA 0.000 nan 52.037 nan 0.000 0.836 1130 A CB 0.000 18.814 19.000 -0.310 0.000 0.831 1130 A HN 0.000 nan 8.150 nan 0.000 0.486