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 3h2w_1_A DATA FIRST_RESID 7 DATA SEQUENCE KSIFYNQVGY LISGDKRFWI QAHEPQPFAL RTPEGQAVFA GMTKPVGGNW DATA SEQUENCE YVGDFTALRV PGTYTLTVGT LEARVVIHRR AYRDVLEAML RFFDYQLCGV DATA SEQUENCE VLPEDEAGPW AHGACHTSDA KVFGTERALA CPGGWHDAGD YGKYTVPAAK DATA SEQUENCE AVADLLLAHE YFPAALAHVR PMRSVHRAPH LPPALEVARE EIAWLLTMQD DATA SEQUENCE PATGGVYHKV TTPSFPPLDT RPEDDDAPLV LSPISYAATA TFCAAMAHAA DATA SEQUENCE LVYRPFDPAL SSCCADAARR AYAWLGAHEM QPFHNPDGIL TGEYGDAELR DATA SEQUENCE DELLWASCAL LRMTGDSAWA RVCEPLLDLD LPWELGWADV ALYGVMDYLR DATA SEQUENCE TPRAAVSDDV RNKVKSRLLR ELDALAAMAE SHPFGIPMRD DDFIWGSNMV DATA SEQUENCE LLNRAMAFLL AEGVGVLHPA AHTVAQRAAD YLFGANPLGQ CYVTGFGQRP DATA SEQUENCE VRHPHHRPSV ADDVDHPVPG MVVGGPNRHL QDEIARAQLA GRPAMEAYID DATA SEQUENCE HQDSYSTNEV AVYWNSPAVF VIAALLEA 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.620 176.600 0.033 0.000 0.988 7 K CA 0.000 56.330 56.287 0.072 0.000 0.838 7 K CB 0.000 32.537 32.500 0.062 0.000 1.064 8 S N 2.919 118.628 115.700 0.014 0.000 2.611 8 S HA 0.620 5.074 4.470 -0.028 0.000 0.268 8 S C -0.720 173.818 174.600 -0.102 0.000 1.156 8 S CA -1.109 57.033 58.200 -0.097 0.000 0.817 8 S CB 0.465 63.527 63.200 -0.230 0.000 1.122 8 S HN 0.468 nan 8.310 nan 0.000 0.466 9 I N 1.356 121.921 120.570 -0.008 0.000 2.474 9 I HA 0.360 4.513 4.170 -0.028 0.000 0.287 9 I C -0.963 175.287 176.117 0.222 0.000 1.048 9 I CA -0.273 61.172 61.300 0.241 0.000 1.383 9 I CB 0.308 38.408 38.000 0.167 0.000 1.412 9 I HN 0.490 nan 8.210 nan 0.000 0.531 10 F N 6.457 126.798 119.950 0.652 0.000 2.458 10 F HA 0.580 5.090 4.527 -0.028 0.000 0.336 10 F C -0.126 176.128 175.800 0.758 0.000 1.114 10 F CA -0.590 57.752 58.000 0.569 0.000 0.987 10 F CB 1.191 40.458 39.000 0.445 0.000 1.130 10 F HN 0.380 nan 8.300 nan 0.000 0.458 11 Y N 0.003 120.624 120.300 0.534 0.000 2.750 11 Y HA 0.391 4.924 4.550 -0.027 0.000 0.335 11 Y C -1.410 174.715 175.900 0.375 0.000 1.252 11 Y CA -1.668 56.787 58.100 0.591 0.000 1.064 11 Y CB 0.879 39.673 38.460 0.558 0.000 1.321 11 Y HN 0.450 nan 8.280 nan 0.000 0.451 12 N N 1.840 120.775 118.700 0.393 0.000 2.402 12 N HA 0.075 4.798 4.740 -0.028 0.000 0.259 12 N C -0.104 175.401 175.510 -0.008 0.000 1.167 12 N CA 0.375 53.462 53.050 0.061 0.000 0.949 12 N CB 1.052 39.424 38.487 -0.192 0.000 1.212 12 N HN 0.888 nan 8.380 nan 0.000 0.493 13 Q N 1.925 121.586 119.800 -0.231 0.000 2.435 13 Q HA 0.004 4.328 4.340 -0.028 0.000 0.207 13 Q C 1.515 177.504 176.000 -0.019 0.000 0.956 13 Q CA 0.583 56.259 55.803 -0.212 0.000 0.917 13 Q CB 0.564 29.099 28.738 -0.338 0.000 0.997 13 Q HN 0.452 nan 8.270 nan 0.000 0.497 14 V N -0.451 119.401 119.914 -0.103 0.000 2.346 14 V HA 0.077 4.181 4.120 -0.028 0.000 0.244 14 V C 1.021 177.134 176.094 0.031 0.000 1.037 14 V CA 1.538 63.758 62.300 -0.134 0.000 1.029 14 V CB 0.222 31.695 31.823 -0.584 0.000 0.663 14 V HN 0.545 nan 8.190 nan 0.000 0.454 15 G N -2.021 106.805 108.800 0.043 0.000 2.362 15 G HA2 0.210 4.154 3.960 -0.028 0.000 0.288 15 G HA3 0.210 4.154 3.960 -0.028 0.000 0.288 15 G C -1.960 172.820 174.900 -0.199 0.000 1.305 15 G CA -0.724 44.387 45.100 0.019 0.000 0.910 15 G HN 0.020 nan 8.290 nan 0.000 0.518 16 Y N -0.684 119.694 120.300 0.131 0.000 2.512 16 Y HA 0.660 5.194 4.550 -0.028 0.000 0.348 16 Y C 0.724 176.580 175.900 -0.073 0.000 0.990 16 Y CA -0.980 57.160 58.100 0.068 0.000 1.033 16 Y CB 1.995 40.504 38.460 0.081 0.000 1.259 16 Y HN 0.487 nan 8.280 nan 0.000 0.461 17 L N 3.740 124.988 121.223 0.041 0.000 2.416 17 L HA 0.099 4.423 4.340 -0.028 0.000 0.272 17 L C 1.370 178.265 176.870 0.042 0.000 1.161 17 L CA 0.137 54.970 54.840 -0.012 0.000 0.845 17 L CB 0.463 42.524 42.059 0.004 0.000 1.119 17 L HN 0.811 nan 8.230 nan 0.000 0.464 18 I N 1.750 122.334 120.570 0.023 0.000 2.093 18 I HA -0.407 3.747 4.170 -0.028 0.000 0.239 18 I C 2.194 178.307 176.117 -0.005 0.000 1.026 18 I CA 2.321 63.628 61.300 0.011 0.000 1.295 18 I CB -0.196 37.799 38.000 -0.008 0.000 1.007 18 I HN 0.873 nan 8.210 nan 0.000 0.401 19 S N -0.173 115.524 115.700 -0.004 0.000 2.605 19 S HA 0.236 4.690 4.470 -0.028 0.000 0.217 19 S C 0.725 175.318 174.600 -0.011 0.000 0.958 19 S CA -0.071 58.123 58.200 -0.011 0.000 0.919 19 S CB -0.435 62.760 63.200 -0.007 0.000 0.780 19 S HN 0.409 nan 8.310 nan 0.000 0.507 20 G N 0.277 109.078 108.800 0.003 0.000 2.537 20 G HA2 0.388 4.332 3.960 -0.028 0.000 0.297 20 G HA3 0.388 4.332 3.960 -0.028 0.000 0.297 20 G C -1.080 173.810 174.900 -0.017 0.000 1.310 20 G CA -0.633 44.482 45.100 0.025 0.000 1.027 20 G HN 0.244 nan 8.290 nan 0.000 0.505 21 D N 0.244 120.654 120.400 0.018 0.000 2.277 21 D HA 0.281 4.904 4.640 -0.028 0.000 0.249 21 D C -0.313 175.938 176.300 -0.081 0.000 1.134 21 D CA 0.407 54.381 54.000 -0.044 0.000 0.863 21 D CB 1.105 41.912 40.800 0.011 0.000 1.143 21 D HN 0.141 nan 8.370 nan 0.000 0.458 22 K N 3.038 123.188 120.400 -0.417 0.000 2.413 22 K HA 0.489 4.792 4.320 -0.028 0.000 0.257 22 K C -0.197 175.881 176.600 -0.870 0.000 0.946 22 K CA -0.708 54.973 56.287 -1.010 0.000 0.823 22 K CB 2.759 34.016 32.500 -2.070 0.000 1.109 22 K HN 0.231 nan 8.250 nan 0.000 0.427 23 R N 3.087 123.389 120.500 -0.330 0.000 2.725 23 R HA 0.513 4.837 4.340 -0.028 0.000 0.277 23 R C -1.470 174.978 176.300 0.245 0.000 0.987 23 R CA -0.681 55.322 56.100 -0.161 0.000 0.901 23 R CB 1.110 31.173 30.300 -0.394 0.000 1.207 23 R HN 0.596 nan 8.270 nan 0.000 0.463 24 F N -0.029 119.879 119.950 -0.070 0.000 2.640 24 F HA 0.782 5.292 4.527 -0.028 0.000 0.324 24 F C -1.440 174.342 175.800 -0.030 0.000 1.077 24 F CA -1.032 57.108 58.000 0.233 0.000 0.965 24 F CB 1.487 40.636 39.000 0.249 0.000 1.351 24 F HN 0.245 nan 8.300 nan 0.000 0.487 25 W N 2.393 123.945 121.300 0.420 0.000 2.950 25 W HA 0.741 5.384 4.660 -0.028 0.000 0.340 25 W C -1.091 175.853 176.519 0.709 0.000 1.139 25 W CA -1.065 56.507 57.345 0.379 0.000 1.188 25 W CB 2.367 32.052 29.460 0.375 0.000 1.426 25 W HN 0.698 nan 8.180 nan 0.000 0.531 26 I N -0.623 120.453 120.570 0.843 0.000 2.913 26 I HA 0.371 4.525 4.170 -0.028 0.000 0.302 26 I C -0.958 175.436 176.117 0.463 0.000 1.246 26 I CA -1.364 60.374 61.300 0.730 0.000 1.010 26 I CB 2.104 40.398 38.000 0.489 0.000 1.259 26 I HN 0.233 nan 8.210 nan 0.000 0.434 27 Q N 2.585 122.472 119.800 0.144 0.000 2.296 27 Q HA 0.696 5.019 4.340 -0.028 0.000 0.262 27 Q C -0.364 175.639 176.000 0.005 0.000 0.981 27 Q CA 0.098 55.794 55.803 -0.178 0.000 0.905 27 Q CB 1.488 30.023 28.738 -0.339 0.000 1.186 27 Q HN 0.792 nan 8.270 nan 0.000 0.399 28 A N 1.896 124.727 122.820 0.019 0.000 2.567 28 A HA 0.506 4.810 4.320 -0.028 0.000 0.289 28 A C -0.900 176.680 177.584 -0.007 0.000 1.177 28 A CA -0.594 51.398 52.037 -0.076 0.000 0.694 28 A CB 0.829 19.613 19.000 -0.360 0.000 1.292 28 A HN 1.021 nan 8.150 nan 0.000 0.425 29 H N -1.014 117.932 119.070 -0.207 0.000 3.078 29 H HA 0.534 5.074 4.556 -0.028 0.000 0.263 29 H C -0.180 175.072 175.328 -0.127 0.000 1.177 29 H CA 0.576 56.579 56.048 -0.075 0.000 1.128 29 H CB 0.227 29.968 29.762 -0.035 0.000 1.623 29 H HN 0.698 nan 8.280 nan 0.000 0.592 30 E N -0.560 119.303 120.200 -0.561 0.000 2.409 30 E HA 0.335 4.669 4.350 -0.028 0.000 0.280 30 E C -3.236 172.979 176.600 -0.641 0.000 1.079 30 E CA -2.636 53.479 56.400 -0.474 0.000 0.840 30 E CB 1.180 30.688 29.700 -0.320 0.000 1.309 30 E HN -0.036 nan 8.360 nan 0.000 0.447 31 P HA 0.001 nan 4.420 nan 0.000 0.265 31 P C -1.122 176.144 177.300 -0.057 0.000 1.187 31 P CA 0.377 63.463 63.100 -0.023 0.000 0.766 31 P CB 0.364 32.118 31.700 0.090 0.000 0.820 32 Q N 3.191 123.008 119.800 0.028 0.000 2.389 32 Q HA 0.482 4.805 4.340 -0.028 0.000 0.277 32 Q C -2.563 173.529 176.000 0.154 0.000 1.082 32 Q CA -2.183 53.663 55.803 0.071 0.000 0.810 32 Q CB 2.185 30.973 28.738 0.085 0.000 1.374 32 Q HN 0.307 nan 8.270 nan 0.000 0.422 33 P HA 0.339 nan 4.420 nan 0.000 0.278 33 P C -1.255 176.152 177.300 0.178 0.000 1.258 33 P CA -0.295 62.842 63.100 0.062 0.000 0.811 33 P CB 0.481 32.166 31.700 -0.026 0.000 1.063 34 F N -1.688 118.313 119.950 0.086 0.000 2.626 34 F HA 0.880 5.390 4.527 -0.028 0.000 0.311 34 F C -1.597 174.217 175.800 0.023 0.000 1.088 34 F CA -1.472 56.564 58.000 0.061 0.000 0.949 34 F CB 1.028 40.118 39.000 0.150 0.000 1.322 34 F HN 0.519 nan 8.300 nan 0.000 0.461 35 A N 1.948 124.861 122.820 0.154 0.000 2.527 35 A HA 0.887 5.191 4.320 -0.028 0.000 0.293 35 A C -2.221 175.411 177.584 0.080 0.000 1.117 35 A CA -0.917 51.168 52.037 0.080 0.000 0.723 35 A CB 1.800 20.797 19.000 -0.005 0.000 1.313 35 A HN 0.821 nan 8.150 nan 0.000 0.411 36 L N 1.209 122.466 121.223 0.056 0.000 2.362 36 L HA 0.663 4.987 4.340 -0.028 0.000 0.275 36 L C 0.204 177.119 176.870 0.074 0.000 0.998 36 L CA -0.177 54.646 54.840 -0.028 0.000 0.820 36 L CB 1.939 43.868 42.059 -0.217 0.000 1.270 36 L HN 0.870 nan 8.230 nan 0.000 0.415 37 R N 0.133 120.707 120.500 0.123 0.000 2.854 37 R HA 0.746 5.069 4.340 -0.028 0.000 0.271 37 R C -0.468 175.965 176.300 0.221 0.000 0.996 37 R CA -0.871 55.325 56.100 0.160 0.000 0.961 37 R CB 0.992 31.333 30.300 0.068 0.000 1.182 37 R HN 0.579 nan 8.270 nan 0.000 0.479 38 T N -1.007 113.637 114.554 0.150 0.000 2.788 38 T HA 0.027 4.361 4.350 -0.028 0.000 0.333 38 T C -1.373 173.297 174.700 -0.050 0.000 1.090 38 T CA -0.983 61.098 62.100 -0.033 0.000 1.094 38 T CB 0.189 69.040 68.868 -0.027 0.000 0.999 38 T HN 0.449 nan 8.240 nan 0.000 0.549 39 P HA -0.086 nan 4.420 nan 0.000 0.218 39 P C 0.827 178.105 177.300 -0.037 0.000 1.149 39 P CA 1.163 64.223 63.100 -0.067 0.000 0.817 39 P CB 0.007 31.659 31.700 -0.080 0.000 0.785 40 E N 0.148 120.327 120.200 -0.035 0.000 2.354 40 E HA 0.309 4.643 4.350 -0.028 0.000 0.252 40 E C 0.954 177.548 176.600 -0.010 0.000 1.330 40 E CA -0.127 56.261 56.400 -0.021 0.000 1.658 40 E CB -0.802 28.885 29.700 -0.021 0.000 1.460 40 E HN 0.292 nan 8.360 nan 0.000 0.435 41 G N 1.063 109.861 108.800 -0.004 0.000 3.102 41 G HA2 -0.274 3.670 3.960 -0.028 0.000 0.200 41 G HA3 -0.274 3.670 3.960 -0.028 0.000 0.200 41 G C -0.008 174.903 174.900 0.018 0.000 1.685 41 G CA -0.193 44.909 45.100 0.004 0.000 1.299 41 G HN 0.399 nan 8.290 nan 0.000 0.576 42 Q N 2.149 121.964 119.800 0.024 0.000 2.281 42 Q HA 0.595 4.919 4.340 -0.028 0.000 0.267 42 Q C 0.708 176.742 176.000 0.057 0.000 1.053 42 Q CA 0.351 56.173 55.803 0.033 0.000 0.905 42 Q CB 0.750 29.506 28.738 0.030 0.000 1.195 42 Q HN 1.066 nan 8.270 nan 0.000 0.398 43 A N 3.448 126.294 122.820 0.043 0.000 2.567 43 A HA 0.056 4.359 4.320 -0.028 0.000 0.240 43 A C 0.524 178.150 177.584 0.070 0.000 1.053 43 A CA -0.066 52.001 52.037 0.050 0.000 0.755 43 A CB 0.467 19.476 19.000 0.014 0.000 0.978 43 A HN 0.744 nan 8.150 nan 0.000 0.507 44 V N 1.892 121.870 119.914 0.106 0.000 3.572 44 V HA 0.282 4.385 4.120 -0.028 0.000 0.260 44 V C -0.042 176.151 176.094 0.166 0.000 1.324 44 V CA 0.718 63.096 62.300 0.131 0.000 1.068 44 V CB -0.424 31.507 31.823 0.180 0.000 0.837 44 V HN 0.765 nan 8.190 nan 0.000 0.450 45 F N 0.189 120.111 119.950 -0.048 0.000 2.635 45 F HA 0.746 5.257 4.527 -0.027 0.000 0.314 45 F C -0.724 175.010 175.800 -0.109 0.000 1.119 45 F CA -0.454 57.512 58.000 -0.057 0.000 1.000 45 F CB 1.329 40.311 39.000 -0.031 0.000 1.278 45 F HN -0.085 nan 8.300 nan 0.000 0.446 46 A N 3.168 125.670 122.820 -0.530 0.000 2.435 46 A HA 0.997 5.301 4.320 -0.028 0.000 0.304 46 A C -0.806 176.283 177.584 -0.825 0.000 1.064 46 A CA -0.166 51.538 52.037 -0.554 0.000 0.727 46 A CB 1.661 20.439 19.000 -0.371 0.000 1.284 46 A HN 1.483 nan 8.150 nan 0.000 0.415 47 G N 0.231 108.407 108.800 -1.039 0.000 2.619 47 G HA2 0.572 4.515 3.960 -0.028 0.000 0.305 47 G HA3 0.572 4.515 3.960 -0.028 0.000 0.305 47 G C -1.470 173.057 174.900 -0.622 0.000 1.330 47 G CA -0.627 44.053 45.100 -0.701 0.000 0.789 47 G HN 0.538 nan 8.290 nan 0.000 0.487 48 M N 1.799 121.356 119.600 -0.072 0.000 2.383 48 M HA 0.361 4.825 4.480 -0.028 0.000 0.325 48 M C 0.689 177.215 176.300 0.375 0.000 1.092 48 M CA -0.607 54.775 55.300 0.136 0.000 0.961 48 M CB 1.448 34.087 32.600 0.065 0.000 1.672 48 M HN 0.851 nan 8.290 nan 0.000 0.438 49 T N 0.973 115.785 114.554 0.431 0.000 2.795 49 T HA 0.391 4.724 4.350 -0.028 0.000 0.314 49 T C -0.143 174.738 174.700 0.301 0.000 1.069 49 T CA -0.373 61.922 62.100 0.324 0.000 1.071 49 T CB 0.681 69.733 68.868 0.306 0.000 0.988 49 T HN 0.774 nan 8.240 nan 0.000 0.543 50 K N 0.008 120.528 120.400 0.200 0.000 2.502 50 K HA 0.565 4.869 4.320 -0.028 0.000 0.257 50 K C -3.343 173.029 176.600 -0.379 0.000 0.938 50 K CA -2.455 53.861 56.287 0.050 0.000 0.819 50 K CB 1.966 34.464 32.500 -0.005 0.000 1.333 50 K HN 0.304 nan 8.250 nan 0.000 0.434 51 P HA -0.028 nan 4.420 nan 0.000 0.271 51 P C 0.494 177.518 177.300 -0.461 0.000 1.216 51 P CA -0.430 62.014 63.100 -1.094 0.000 0.776 51 P CB 1.122 32.401 31.700 -0.703 0.000 0.881 52 V N -0.776 118.940 119.914 -0.329 0.000 3.398 52 V HA 0.648 4.752 4.120 -0.028 0.000 0.298 52 V C 0.361 176.411 176.094 -0.075 0.000 1.496 52 V CA 0.330 62.540 62.300 -0.150 0.000 1.044 52 V CB -0.210 31.550 31.823 -0.104 0.000 0.880 52 V HN 0.871 nan 8.190 nan 0.000 0.443 53 G N -1.391 107.373 108.800 -0.060 0.000 2.335 53 G HA2 0.469 4.413 3.960 -0.028 0.000 0.592 53 G HA3 0.469 4.413 3.960 -0.028 0.000 0.592 53 G C 0.390 175.333 174.900 0.072 0.000 1.442 53 G CA -0.021 45.076 45.100 -0.005 0.000 0.976 53 G HN 1.766 nan 8.290 nan 0.000 0.652 54 G N 1.100 109.930 108.800 0.050 0.000 2.699 54 G HA2 -0.416 3.528 3.960 -0.028 0.000 0.351 54 G HA3 -0.416 3.528 3.960 -0.028 0.000 0.351 54 G C 1.252 176.159 174.900 0.013 0.000 1.191 54 G CA 1.530 46.660 45.100 0.050 0.000 0.953 54 G HN 1.756 nan 8.290 nan 0.000 0.557 55 N N 0.465 119.115 118.700 -0.083 0.000 2.236 55 N HA 0.135 4.859 4.740 -0.028 0.000 0.196 55 N C -0.327 175.071 175.510 -0.187 0.000 1.114 55 N CA 0.004 52.923 53.050 -0.219 0.000 0.859 55 N CB 0.175 38.362 38.487 -0.499 0.000 0.982 55 N HN 0.488 nan 8.380 nan 0.000 0.493 56 W N 0.437 121.763 121.300 0.044 0.000 2.390 56 W HA 0.374 5.018 4.660 -0.027 0.000 0.312 56 W C -0.510 176.006 176.519 -0.004 0.000 1.123 56 W CA -0.596 56.782 57.345 0.056 0.000 1.202 56 W CB 0.514 29.923 29.460 -0.085 0.000 1.251 56 W HN -0.096 nan 8.180 nan 0.000 0.511 57 Y N 2.666 123.101 120.300 0.226 0.000 2.377 57 Y HA 0.495 5.029 4.550 -0.027 0.000 0.339 57 Y C 0.473 176.322 175.900 -0.084 0.000 1.011 57 Y CA -1.207 56.930 58.100 0.061 0.000 1.093 57 Y CB 1.482 39.969 38.460 0.045 0.000 1.201 57 Y HN 0.230 nan 8.280 nan 0.000 0.455 58 V N 0.214 119.978 119.914 -0.250 0.000 2.881 58 V HA 1.036 5.140 4.120 -0.028 0.000 0.316 58 V C -0.254 175.431 176.094 -0.682 0.000 1.070 58 V CA -0.726 61.148 62.300 -0.710 0.000 0.976 58 V CB 1.600 32.898 31.823 -0.875 0.000 1.038 58 V HN 0.851 nan 8.190 nan 0.000 0.446 59 G N 1.133 109.197 108.800 -1.228 0.000 2.643 59 G HA2 0.571 4.515 3.960 -0.028 0.000 0.305 59 G HA3 0.571 4.515 3.960 -0.028 0.000 0.305 59 G C -1.856 172.783 174.900 -0.434 0.000 1.387 59 G CA -0.474 44.099 45.100 -0.878 0.000 0.982 59 G HN 0.926 nan 8.290 nan 0.000 0.501 60 D N 0.751 121.174 120.400 0.037 0.000 2.217 60 D HA 0.586 5.210 4.640 -0.028 0.000 0.243 60 D C 0.164 176.688 176.300 0.373 0.000 1.054 60 D CA -0.623 53.430 54.000 0.088 0.000 0.838 60 D CB 1.016 41.825 40.800 0.015 0.000 1.162 60 D HN 0.271 nan 8.370 nan 0.000 0.472 61 F N 0.626 120.498 119.950 -0.130 0.000 2.815 61 F HA 0.336 4.846 4.527 -0.027 0.000 0.335 61 F C 1.374 176.859 175.800 -0.524 0.000 1.179 61 F CA -0.683 57.012 58.000 -0.508 0.000 1.204 61 F CB -0.673 37.941 39.000 -0.642 0.000 1.050 61 F HN 0.150 nan 8.300 nan 0.000 0.510 62 T N 0.659 114.946 114.554 -0.446 0.000 2.751 62 T HA -0.300 4.034 4.350 -0.028 0.000 0.268 62 T C 2.143 176.709 174.700 -0.223 0.000 1.045 62 T CA 2.163 64.061 62.100 -0.338 0.000 1.142 62 T CB -0.312 68.453 68.868 -0.172 0.000 0.851 62 T HN 0.563 nan 8.240 nan 0.000 0.474 63 A N 0.285 123.015 122.820 -0.150 0.000 2.168 63 A HA 0.204 4.508 4.320 -0.028 0.000 0.215 63 A C 1.036 178.598 177.584 -0.036 0.000 1.152 63 A CA 0.220 52.263 52.037 0.009 0.000 0.716 63 A CB -0.375 18.794 19.000 0.280 0.000 0.794 63 A HN 0.412 nan 8.150 nan 0.000 0.465 64 L N 1.047 122.121 121.223 -0.248 0.000 2.342 64 L HA 0.283 4.606 4.340 -0.028 0.000 0.285 64 L C 0.685 177.497 176.870 -0.097 0.000 1.095 64 L CA 0.003 54.740 54.840 -0.172 0.000 0.843 64 L CB 0.232 42.097 42.059 -0.323 0.000 1.201 64 L HN 0.118 nan 8.230 nan 0.000 0.445 65 R N 3.612 124.099 120.500 -0.022 0.000 2.432 65 R HA 0.278 4.601 4.340 -0.028 0.000 0.260 65 R C -0.402 175.919 176.300 0.035 0.000 0.935 65 R CA -0.069 56.031 56.100 0.000 0.000 1.080 65 R CB -0.149 30.154 30.300 0.006 0.000 1.155 65 R HN 0.375 nan 8.270 nan 0.000 0.531 66 V N 5.468 125.425 119.914 0.072 0.000 2.406 66 V HA 0.195 4.299 4.120 -0.028 0.000 0.272 66 V C -1.874 174.343 176.094 0.204 0.000 1.043 66 V CA -1.760 60.615 62.300 0.125 0.000 0.915 66 V CB 1.407 33.333 31.823 0.170 0.000 0.988 66 V HN 0.022 nan 8.190 nan 0.000 0.466 67 P HA 0.400 nan 4.420 nan 0.000 0.268 67 P C 0.128 177.511 177.300 0.139 0.000 1.208 67 P CA 0.462 63.631 63.100 0.114 0.000 0.777 67 P CB 0.944 32.617 31.700 -0.045 0.000 0.875 68 G N 0.065 108.946 108.800 0.134 0.000 2.321 68 G HA2 0.271 4.214 3.960 -0.028 0.000 0.298 68 G HA3 0.271 4.214 3.960 -0.028 0.000 0.298 68 G C -1.508 173.336 174.900 -0.094 0.000 1.385 68 G CA -0.665 44.353 45.100 -0.137 0.000 0.856 68 G HN 0.430 nan 8.290 nan 0.000 0.584 69 T N 1.176 115.614 114.554 -0.194 0.000 2.743 69 T HA 0.602 4.936 4.350 -0.028 0.000 0.293 69 T C -0.940 173.591 174.700 -0.281 0.000 0.945 69 T CA 0.370 62.413 62.100 -0.095 0.000 1.030 69 T CB 0.369 69.210 68.868 -0.045 0.000 0.912 69 T HN 0.349 nan 8.240 nan 0.000 0.483 70 Y N 0.691 120.997 120.300 0.010 0.000 2.509 70 Y HA 0.480 5.013 4.550 -0.028 0.000 0.341 70 Y C 0.909 176.761 175.900 -0.080 0.000 1.038 70 Y CA -1.075 57.005 58.100 -0.034 0.000 1.089 70 Y CB 1.673 40.102 38.460 -0.051 0.000 1.241 70 Y HN 0.413 nan 8.280 nan 0.000 0.468 71 T N 3.631 118.227 114.554 0.070 0.000 2.767 71 T HA 0.415 4.748 4.350 -0.028 0.000 0.284 71 T C -1.260 173.392 174.700 -0.081 0.000 0.973 71 T CA -0.449 61.633 62.100 -0.030 0.000 0.996 71 T CB 0.440 69.290 68.868 -0.030 0.000 0.927 71 T HN 0.369 nan 8.240 nan 0.000 0.456 72 L N 5.074 126.182 121.223 -0.192 0.000 2.287 72 L HA 0.669 4.993 4.340 -0.028 0.000 0.287 72 L C 0.118 176.841 176.870 -0.245 0.000 1.022 72 L CA -0.162 54.495 54.840 -0.306 0.000 0.814 72 L CB 1.154 42.876 42.059 -0.561 0.000 1.217 72 L HN 0.711 nan 8.230 nan 0.000 0.420 73 T N 2.557 117.020 114.554 -0.152 0.000 2.807 73 T HA 0.718 5.051 4.350 -0.028 0.000 0.279 73 T C -0.836 173.850 174.700 -0.024 0.000 0.993 73 T CA -0.729 61.321 62.100 -0.084 0.000 0.970 73 T CB 1.528 70.376 68.868 -0.034 0.000 0.950 73 T HN 0.725 nan 8.240 nan 0.000 0.441 74 V N 3.470 123.382 119.914 -0.003 0.000 2.668 74 V HA 0.698 4.801 4.120 -0.028 0.000 0.304 74 V C 0.764 176.905 176.094 0.079 0.000 1.071 74 V CA 0.927 63.287 62.300 0.100 0.000 0.894 74 V CB 0.901 32.837 31.823 0.187 0.000 1.008 74 V HN 1.738 nan 8.190 nan 0.000 0.425 75 G N 5.615 114.462 108.800 0.078 0.000 2.629 75 G HA2 -0.357 3.586 3.960 -0.028 0.000 0.313 75 G HA3 -0.357 3.586 3.960 -0.028 0.000 0.313 75 G C 0.886 175.804 174.900 0.029 0.000 1.217 75 G CA 1.314 46.444 45.100 0.050 0.000 0.994 75 G HN 2.189 nan 8.290 nan 0.000 0.549 76 T N -1.021 113.547 114.554 0.023 0.000 3.129 76 T HA 0.680 5.013 4.350 -0.028 0.000 0.267 76 T C 0.711 175.413 174.700 0.005 0.000 1.018 76 T CA 0.271 62.377 62.100 0.010 0.000 0.903 76 T CB 0.037 68.910 68.868 0.008 0.000 1.067 76 T HN 0.512 nan 8.240 nan 0.000 0.549 77 L N 0.991 122.219 121.223 0.007 0.000 2.344 77 L HA 0.674 4.997 4.340 -0.028 0.000 0.272 77 L C -0.158 176.688 176.870 -0.040 0.000 1.035 77 L CA -0.853 53.983 54.840 -0.006 0.000 0.807 77 L CB 1.855 43.925 42.059 0.018 0.000 1.237 77 L HN 0.207 nan 8.230 nan 0.000 0.442 78 E N 1.150 121.314 120.200 -0.060 0.000 2.308 78 E HA 0.691 5.024 4.350 -0.028 0.000 0.275 78 E C -1.448 175.074 176.600 -0.130 0.000 0.890 78 E CA -0.705 55.637 56.400 -0.097 0.000 0.754 78 E CB 2.550 32.210 29.700 -0.067 0.000 1.207 78 E HN 0.608 nan 8.360 nan 0.000 0.426 79 A N 2.410 125.099 122.820 -0.219 0.000 2.454 79 A HA 0.743 5.046 4.320 -0.028 0.000 0.302 79 A C -0.963 176.445 177.584 -0.293 0.000 1.079 79 A CA -0.738 51.109 52.037 -0.317 0.000 0.731 79 A CB 1.567 20.212 19.000 -0.592 0.000 1.299 79 A HN 0.456 nan 8.150 nan 0.000 0.413 80 R N 0.499 120.857 120.500 -0.238 0.000 2.207 80 R HA 0.518 4.842 4.340 -0.028 0.000 0.334 80 R C -0.715 175.521 176.300 -0.106 0.000 1.013 80 R CA -0.081 55.951 56.100 -0.114 0.000 0.858 80 R CB 0.816 31.106 30.300 -0.016 0.000 1.094 80 R HN 0.986 nan 8.270 nan 0.000 0.457 81 V N 2.617 122.520 119.914 -0.019 0.000 2.555 81 V HA 0.778 4.881 4.120 -0.028 0.000 0.302 81 V C -0.697 175.579 176.094 0.304 0.000 1.038 81 V CA -0.989 61.413 62.300 0.169 0.000 0.887 81 V CB 1.849 33.747 31.823 0.124 0.000 0.991 81 V HN 0.450 nan 8.190 nan 0.000 0.434 82 V N 5.946 126.095 119.914 0.391 0.000 2.495 82 V HA 0.700 4.803 4.120 -0.028 0.000 0.298 82 V C -0.561 175.785 176.094 0.419 0.000 1.031 82 V CA -0.501 62.001 62.300 0.337 0.000 0.871 82 V CB 1.327 33.280 31.823 0.217 0.000 0.988 82 V HN 0.897 nan 8.190 nan 0.000 0.432 83 I N 7.181 127.985 120.570 0.391 0.000 2.404 83 I HA 0.605 4.758 4.170 -0.028 0.000 0.293 83 I C -0.544 175.723 176.117 0.250 0.000 0.992 83 I CA -0.474 61.020 61.300 0.324 0.000 1.149 83 I CB 1.443 39.626 38.000 0.304 0.000 1.315 83 I HN 0.754 nan 8.210 nan 0.000 0.446 84 H N 5.018 124.133 119.070 0.076 0.000 3.046 84 H HA 0.275 4.814 4.556 -0.028 0.000 0.363 84 H C 0.237 175.558 175.328 -0.013 0.000 1.203 84 H CA -0.671 55.393 56.048 0.027 0.000 1.169 84 H CB 2.190 31.957 29.762 0.007 0.000 1.851 84 H HN 0.582 nan 8.280 nan 0.000 0.546 85 R N 2.235 122.619 120.500 -0.195 0.000 2.103 85 R HA -0.081 4.242 4.340 -0.028 0.000 0.242 85 R C 0.015 176.386 176.300 0.117 0.000 1.142 85 R CA 1.751 57.834 56.100 -0.027 0.000 0.960 85 R CB 0.125 30.366 30.300 -0.098 0.000 0.858 85 R HN 0.521 nan 8.270 nan 0.000 0.439 86 R N -0.884 119.807 120.500 0.318 0.000 2.629 86 R HA 0.368 4.692 4.340 -0.028 0.000 0.277 86 R C 0.274 176.570 176.300 -0.007 0.000 1.637 86 R CA 0.297 56.470 56.100 0.122 0.000 1.663 86 R CB 1.298 31.682 30.300 0.139 0.000 1.228 86 R HN 0.204 nan 8.270 nan 0.000 0.632 87 A N 0.650 123.359 122.820 -0.184 0.000 2.024 87 A HA -0.170 4.134 4.320 -0.028 0.000 0.220 87 A C 0.796 178.224 177.584 -0.261 0.000 1.164 87 A CA 1.338 53.188 52.037 -0.312 0.000 0.643 87 A CB -0.214 18.489 19.000 -0.495 0.000 0.806 87 A HN 0.536 nan 8.150 nan 0.000 0.451 88 Y N -1.319 118.980 120.300 -0.002 0.000 2.458 88 Y HA 0.241 4.774 4.550 -0.028 0.000 0.256 88 Y C 1.962 177.835 175.900 -0.045 0.000 1.159 88 Y CA -0.459 57.611 58.100 -0.051 0.000 1.261 88 Y CB -0.458 38.004 38.460 0.004 0.000 1.119 88 Y HN 0.274 nan 8.280 nan 0.000 0.524 89 R N 0.983 121.538 120.500 0.092 0.000 2.096 89 R HA -0.197 4.126 4.340 -0.028 0.000 0.240 89 R C 1.023 177.369 176.300 0.076 0.000 1.139 89 R CA 2.263 58.415 56.100 0.087 0.000 0.952 89 R CB -0.130 30.215 30.300 0.075 0.000 0.854 89 R HN 0.275 nan 8.270 nan 0.000 0.436 90 D N -0.121 120.322 120.400 0.071 0.000 2.092 90 D HA -0.161 4.462 4.640 -0.028 0.000 0.193 90 D C 1.814 178.161 176.300 0.079 0.000 0.994 90 D CA 1.235 55.316 54.000 0.136 0.000 0.828 90 D CB -0.529 40.404 40.800 0.222 0.000 0.963 90 D HN 0.103 nan 8.370 nan 0.000 0.450 91 V N 0.636 120.423 119.914 -0.211 0.000 2.407 91 V HA -0.177 3.926 4.120 -0.028 0.000 0.248 91 V C 2.265 178.193 176.094 -0.276 0.000 1.055 91 V CA 1.210 63.054 62.300 -0.759 0.000 1.049 91 V CB -0.292 30.896 31.823 -1.057 0.000 0.662 91 V HN 0.108 nan 8.190 nan 0.000 0.455 92 L N 0.641 121.818 121.223 -0.078 0.000 2.046 92 L HA -0.162 4.162 4.340 -0.028 0.000 0.208 92 L C 2.416 179.324 176.870 0.063 0.000 1.077 92 L CA 2.729 57.579 54.840 0.017 0.000 0.747 92 L CB -0.932 41.162 42.059 0.057 0.000 0.896 92 L HN 0.571 nan 8.230 nan 0.000 0.432 93 E N -0.590 119.657 120.200 0.079 0.000 2.077 93 E HA -0.242 4.092 4.350 -0.028 0.000 0.193 93 E C 2.103 178.793 176.600 0.150 0.000 0.989 93 E CA 1.233 57.703 56.400 0.118 0.000 0.800 93 E CB -0.210 29.564 29.700 0.125 0.000 0.746 93 E HN 0.611 nan 8.360 nan 0.000 0.452 94 A N 0.774 123.687 122.820 0.155 0.000 1.908 94 A HA -0.203 4.101 4.320 -0.028 0.000 0.218 94 A C 2.206 179.896 177.584 0.176 0.000 1.181 94 A CA 1.821 53.984 52.037 0.210 0.000 0.627 94 A CB -0.531 18.658 19.000 0.315 0.000 0.818 94 A HN 0.331 nan 8.150 nan 0.000 0.445 95 M N -1.471 118.189 119.600 0.100 0.000 2.229 95 M HA -0.074 4.389 4.480 -0.028 0.000 0.264 95 M C 2.112 178.581 176.300 0.281 0.000 1.063 95 M CA 1.070 56.441 55.300 0.120 0.000 1.114 95 M CB -0.257 32.385 32.600 0.070 0.000 1.387 95 M HN 0.446 nan 8.290 nan 0.000 0.420 96 L N 0.346 121.734 121.223 0.274 0.000 2.072 96 L HA -0.098 4.225 4.340 -0.028 0.000 0.205 96 L C 2.291 179.374 176.870 0.354 0.000 1.079 96 L CA 1.854 56.900 54.840 0.343 0.000 0.752 96 L CB -0.441 41.731 42.059 0.189 0.000 0.906 96 L HN 0.120 nan 8.230 nan 0.000 0.436 97 R N -1.588 119.067 120.500 0.258 0.000 2.193 97 R HA -0.182 4.141 4.340 -0.028 0.000 0.229 97 R C 2.110 178.564 176.300 0.257 0.000 1.110 97 R CA 1.303 57.524 56.100 0.203 0.000 0.988 97 R CB -0.548 29.859 30.300 0.179 0.000 0.871 97 R HN 0.381 nan 8.270 nan 0.000 0.458 98 F N 0.704 120.739 119.950 0.142 0.000 2.161 98 F HA -0.209 4.301 4.527 -0.028 0.000 0.300 98 F C 1.354 177.066 175.800 -0.146 0.000 1.089 98 F CA 1.323 59.333 58.000 0.017 0.000 1.282 98 F CB -0.296 38.565 39.000 -0.231 0.000 1.010 98 F HN -0.130 nan 8.300 nan 0.000 0.485 99 F N 0.910 120.604 119.950 -0.427 0.000 2.171 99 F HA -0.181 4.330 4.527 -0.027 0.000 0.300 99 F C 2.325 177.888 175.800 -0.395 0.000 1.090 99 F CA 1.632 59.138 58.000 -0.823 0.000 1.293 99 F CB -0.843 37.659 39.000 -0.830 0.000 1.013 99 F HN -0.052 nan 8.300 nan 0.000 0.486 100 D N -1.024 119.405 120.400 0.048 0.000 2.144 100 D HA -0.177 4.447 4.640 -0.028 0.000 0.200 100 D C 2.056 178.305 176.300 -0.086 0.000 0.978 100 D CA 1.259 55.277 54.000 0.031 0.000 0.833 100 D CB -0.563 40.244 40.800 0.012 0.000 0.961 100 D HN 0.253 nan 8.370 nan 0.000 0.470 101 Y N 1.113 121.392 120.300 -0.035 0.000 2.274 101 Y HA -0.096 4.438 4.550 -0.028 0.000 0.290 101 Y C 2.253 178.152 175.900 -0.002 0.000 1.145 101 Y CA 0.850 58.956 58.100 0.011 0.000 1.203 101 Y CB -0.155 38.340 38.460 0.059 0.000 0.984 101 Y HN -0.036 nan 8.280 nan 0.000 0.533 102 Q N 0.276 120.027 119.800 -0.082 0.000 2.482 102 Q HA 0.045 4.368 4.340 -0.028 0.000 0.209 102 Q C 0.208 176.138 176.000 -0.117 0.000 0.961 102 Q CA 0.294 56.028 55.803 -0.115 0.000 0.945 102 Q CB -0.334 28.149 28.738 -0.426 0.000 1.012 102 Q HN 0.445 nan 8.270 nan 0.000 0.515 103 L N 0.347 121.572 121.223 0.003 0.000 2.499 103 L HA -0.015 4.308 4.340 -0.028 0.000 0.273 103 L C 0.256 177.015 176.870 -0.185 0.000 1.195 103 L CA -0.213 54.623 54.840 -0.007 0.000 0.882 103 L CB 0.445 42.523 42.059 0.030 0.000 1.133 103 L HN 0.079 nan 8.230 nan 0.000 0.483 104 C N 3.512 122.677 119.300 -0.225 0.000 2.319 104 C HA 0.625 5.069 4.460 -0.028 0.000 0.335 104 C C 1.182 176.178 174.990 0.010 0.000 1.274 104 C CA 0.245 59.198 59.018 -0.108 0.000 1.806 104 C CB -0.169 27.501 27.740 -0.117 0.000 2.329 104 C HN 1.070 nan 8.230 nan 0.000 0.524 105 G N 4.247 113.102 108.800 0.092 0.000 2.198 105 G HA2 -0.078 3.866 3.960 -0.028 0.000 0.257 105 G HA3 -0.078 3.866 3.960 -0.028 0.000 0.257 105 G C -0.288 174.627 174.900 0.026 0.000 1.042 105 G CA 0.582 45.717 45.100 0.058 0.000 0.791 105 G HN 1.984 nan 8.290 nan 0.000 0.502 106 V N -3.484 116.443 119.914 0.021 0.000 2.668 106 V HA 0.732 4.835 4.120 -0.028 0.000 0.304 106 V C 0.535 176.603 176.094 -0.044 0.000 1.071 106 V CA -1.346 60.943 62.300 -0.018 0.000 0.894 106 V CB 1.843 33.638 31.823 -0.046 0.000 1.008 106 V HN 0.631 nan 8.190 nan 0.000 0.425 107 V N 5.713 125.603 119.914 -0.039 0.000 2.506 107 V HA 0.027 4.131 4.120 -0.028 0.000 0.296 107 V C 0.454 176.477 176.094 -0.119 0.000 1.004 107 V CA 0.579 62.845 62.300 -0.058 0.000 1.150 107 V CB 0.376 32.181 31.823 -0.030 0.000 0.911 107 V HN 0.725 nan 8.190 nan 0.000 0.476 108 L N 9.530 130.626 121.223 -0.212 0.000 2.270 108 L HA 0.363 4.686 4.340 -0.028 0.000 0.286 108 L C -1.933 174.867 176.870 -0.116 0.000 1.059 108 L CA -1.632 53.081 54.840 -0.211 0.000 0.839 108 L CB 1.293 43.151 42.059 -0.334 0.000 1.221 108 L HN 0.456 nan 8.230 nan 0.000 0.431 109 P HA 0.020 nan 4.420 nan 0.000 0.275 109 P C 0.405 177.700 177.300 -0.008 0.000 1.227 109 P CA -0.296 62.784 63.100 -0.033 0.000 0.781 109 P CB 1.352 33.034 31.700 -0.031 0.000 0.906 110 E N 3.163 123.366 120.200 0.005 0.000 2.169 110 E HA -0.303 4.031 4.350 -0.028 0.000 0.202 110 E C 1.048 177.659 176.600 0.019 0.000 1.016 110 E CA 2.590 58.999 56.400 0.015 0.000 0.817 110 E CB -0.707 28.993 29.700 -0.000 0.000 0.736 110 E HN 0.518 nan 8.360 nan 0.000 0.462 111 D N -0.381 120.024 120.400 0.009 0.000 2.263 111 D HA -0.188 4.436 4.640 -0.028 0.000 0.208 111 D C 1.433 177.745 176.300 0.020 0.000 0.971 111 D CA 1.303 55.310 54.000 0.012 0.000 0.867 111 D CB -0.172 40.631 40.800 0.005 0.000 0.929 111 D HN 0.340 nan 8.370 nan 0.000 0.492 112 E N -0.405 119.802 120.200 0.011 0.000 2.290 112 E HA 0.256 4.589 4.350 -0.028 0.000 0.197 112 E C 1.908 178.526 176.600 0.030 0.000 0.948 112 E CA 0.741 57.142 56.400 0.001 0.000 0.895 112 E CB 0.263 29.933 29.700 -0.050 0.000 0.865 112 E HN 0.385 nan 8.360 nan 0.000 0.486 113 A N 0.970 123.834 122.820 0.073 0.000 2.044 113 A HA 0.387 4.691 4.320 -0.028 0.000 0.213 113 A C 1.399 179.235 177.584 0.420 0.000 1.169 113 A CA 1.239 53.424 52.037 0.247 0.000 0.724 113 A CB -0.176 18.963 19.000 0.232 0.000 0.840 113 A HN 0.259 nan 8.150 nan 0.000 0.463 114 G N -0.472 108.441 108.800 0.188 0.000 2.539 114 G HA2 -0.256 3.688 3.960 -0.028 0.000 0.256 114 G HA3 -0.256 3.688 3.960 -0.028 0.000 0.256 114 G C -1.421 173.416 174.900 -0.106 0.000 1.233 114 G CA 0.119 45.252 45.100 0.054 0.000 0.936 114 G HN 0.211 nan 8.290 nan 0.000 0.571 115 P HA 0.062 nan 4.420 nan 0.000 0.228 115 P C 0.864 177.824 177.300 -0.566 0.000 1.151 115 P CA 1.503 64.215 63.100 -0.646 0.000 0.770 115 P CB 0.019 31.106 31.700 -1.021 0.000 0.786 116 W N -0.405 120.981 121.300 0.143 0.000 3.194 116 W HA 0.548 5.192 4.660 -0.027 0.000 0.408 116 W C 0.367 177.049 176.519 0.271 0.000 1.072 116 W CA -0.938 56.518 57.345 0.186 0.000 1.953 116 W CB -0.609 28.906 29.460 0.091 0.000 1.091 116 W HN -0.110 nan 8.180 nan 0.000 0.699 117 A N 1.546 124.538 122.820 0.287 0.000 2.386 117 A HA 0.456 4.760 4.320 -0.028 0.000 0.248 117 A C -0.204 177.506 177.584 0.210 0.000 1.082 117 A CA 0.618 52.766 52.037 0.186 0.000 0.789 117 A CB 0.172 19.224 19.000 0.086 0.000 1.025 117 A HN 0.555 nan 8.150 nan 0.000 0.490 118 H N -2.022 117.121 119.070 0.123 0.000 2.932 118 H HA 0.649 5.188 4.556 -0.028 0.000 0.307 118 H C -0.133 175.222 175.328 0.045 0.000 1.391 118 H CA -0.299 55.796 56.048 0.079 0.000 1.130 118 H CB 0.398 30.218 29.762 0.095 0.000 1.836 118 H HN 0.900 nan 8.280 nan 0.000 0.522 119 G N -0.461 108.517 108.800 0.296 0.000 2.522 119 G HA2 0.548 4.492 3.960 -0.028 0.000 0.304 119 G HA3 0.548 4.492 3.960 -0.028 0.000 0.304 119 G C -0.288 174.758 174.900 0.244 0.000 1.210 119 G CA -0.614 44.587 45.100 0.168 0.000 0.960 119 G HN 0.943 nan 8.290 nan 0.000 0.497 120 A N -1.123 121.757 122.820 0.099 0.000 2.540 120 A HA 0.436 4.740 4.320 -0.028 0.000 0.239 120 A C 0.862 178.462 177.584 0.027 0.000 1.061 120 A CA 0.379 52.461 52.037 0.076 0.000 0.758 120 A CB -0.888 18.129 19.000 0.028 0.000 0.991 120 A HN 1.605 nan 8.150 nan 0.000 0.502 121 C N 0.020 119.330 119.300 0.016 0.000 2.595 121 C HA 0.816 5.259 4.460 -0.028 0.000 0.338 121 C C 0.426 175.345 174.990 -0.118 0.000 1.219 121 C CA -0.634 58.261 59.018 -0.206 0.000 1.811 121 C CB 0.124 27.635 27.740 -0.382 0.000 2.313 121 C HN 1.112 nan 8.230 nan 0.000 0.499 122 H N -0.448 118.594 119.070 -0.047 0.000 2.690 122 H HA -0.173 4.367 4.556 -0.027 0.000 0.309 122 H C 1.301 176.621 175.328 -0.013 0.000 1.138 122 H CA 0.977 57.006 56.048 -0.031 0.000 1.142 122 H CB -1.974 27.776 29.762 -0.020 0.000 1.410 122 H HN 1.035 nan 8.280 nan 0.000 0.409 123 T N -3.202 111.372 114.554 0.033 0.000 3.160 123 T HA 0.026 4.360 4.350 -0.028 0.000 0.257 123 T C 1.260 175.974 174.700 0.024 0.000 1.147 123 T CA 0.232 62.349 62.100 0.028 0.000 1.064 123 T CB 0.120 68.991 68.868 0.005 0.000 0.949 123 T HN 0.517 nan 8.240 nan 0.000 0.526 124 S N 1.238 116.953 115.700 0.025 0.000 2.617 124 S HA 0.344 4.798 4.470 -0.028 0.000 0.259 124 S C -0.345 174.268 174.600 0.021 0.000 1.301 124 S CA -0.907 57.303 58.200 0.017 0.000 0.984 124 S CB 0.406 63.614 63.200 0.013 0.000 0.954 124 S HN 0.257 nan 8.310 nan 0.000 0.572 125 D N 0.530 120.935 120.400 0.008 0.000 2.354 125 D HA 0.614 5.238 4.640 -0.028 0.000 0.247 125 D C -0.090 176.206 176.300 -0.007 0.000 1.138 125 D CA -0.067 53.933 54.000 -0.001 0.000 0.958 125 D CB 1.099 41.892 40.800 -0.011 0.000 1.144 125 D HN 0.797 nan 8.370 nan 0.000 0.458 126 A N 1.116 123.922 122.820 -0.023 0.000 2.324 126 A HA 0.422 4.725 4.320 -0.028 0.000 0.330 126 A C -0.070 177.475 177.584 -0.065 0.000 1.165 126 A CA -0.658 51.355 52.037 -0.040 0.000 0.813 126 A CB 0.808 19.776 19.000 -0.054 0.000 1.197 126 A HN 0.349 nan 8.150 nan 0.000 0.484 127 K N 1.430 121.797 120.400 -0.056 0.000 2.201 127 K HA 0.402 4.706 4.320 -0.028 0.000 0.278 127 K C -0.669 175.879 176.600 -0.086 0.000 1.027 127 K CA -0.469 55.779 56.287 -0.065 0.000 0.909 127 K CB 1.483 33.953 32.500 -0.049 0.000 1.062 127 K HN 0.495 nan 8.250 nan 0.000 0.465 128 V N 5.075 124.918 119.914 -0.119 0.000 2.540 128 V HA -0.071 4.032 4.120 -0.028 0.000 0.297 128 V C 0.462 176.563 176.094 0.011 0.000 1.024 128 V CA -0.072 62.156 62.300 -0.119 0.000 1.105 128 V CB -0.571 31.194 31.823 -0.097 0.000 0.938 128 V HN 0.568 nan 8.190 nan 0.000 0.482 129 F N 4.849 124.773 119.950 -0.044 0.000 2.623 129 F HA 0.353 4.864 4.527 -0.028 0.000 0.386 129 F C 1.357 177.168 175.800 0.018 0.000 1.068 129 F CA 1.055 59.056 58.000 0.002 0.000 1.265 129 F CB 0.228 39.251 39.000 0.039 0.000 1.026 129 F HN 0.881 nan 8.300 nan 0.000 0.568 130 G N 3.741 112.000 108.800 -0.903 0.000 2.356 130 G HA2 -0.152 3.791 3.960 -0.028 0.000 0.296 130 G HA3 -0.152 3.791 3.960 -0.028 0.000 0.296 130 G C -0.033 174.748 174.900 -0.199 0.000 1.022 130 G CA 0.630 45.403 45.100 -0.545 0.000 0.961 130 G HN 1.466 nan 8.290 nan 0.000 0.510 131 T N -4.566 109.896 114.554 -0.152 0.000 2.787 131 T HA 0.667 5.001 4.350 -0.028 0.000 0.297 131 T C 0.209 174.865 174.700 -0.074 0.000 1.221 131 T CA -0.285 61.770 62.100 -0.075 0.000 1.006 131 T CB 1.883 70.735 68.868 -0.026 0.000 1.328 131 T HN -0.084 nan 8.240 nan 0.000 0.509 132 E N -0.038 120.132 120.200 -0.049 0.000 2.465 132 E HA 0.211 4.545 4.350 -0.028 0.000 0.195 132 E C 0.324 176.904 176.600 -0.034 0.000 1.028 132 E CA -0.210 56.164 56.400 -0.043 0.000 0.899 132 E CB 0.219 29.899 29.700 -0.033 0.000 1.032 132 E HN 0.437 nan 8.360 nan 0.000 0.468 133 R N 0.926 121.406 120.500 -0.034 0.000 2.340 133 R HA 0.417 4.741 4.340 -0.028 0.000 0.300 133 R C -0.178 176.094 176.300 -0.047 0.000 1.069 133 R CA -0.071 56.010 56.100 -0.031 0.000 0.984 133 R CB 0.881 31.169 30.300 -0.021 0.000 1.003 133 R HN 0.013 nan 8.270 nan 0.000 0.459 134 A N 3.547 126.343 122.820 -0.039 0.000 2.282 134 A HA 0.654 4.958 4.320 -0.028 0.000 0.319 134 A C -1.248 176.306 177.584 -0.049 0.000 1.121 134 A CA -0.458 51.553 52.037 -0.043 0.000 0.836 134 A CB 0.963 19.946 19.000 -0.029 0.000 1.146 134 A HN 0.471 nan 8.150 nan 0.000 0.494 135 L N -0.098 121.092 121.223 -0.056 0.000 2.506 135 L HA 0.642 4.966 4.340 -0.028 0.000 0.257 135 L C -0.084 176.766 176.870 -0.033 0.000 0.964 135 L CA -0.027 54.781 54.840 -0.054 0.000 0.836 135 L CB 1.899 43.900 42.059 -0.097 0.000 1.384 135 L HN 0.918 nan 8.230 nan 0.000 0.410 136 A N 1.786 124.597 122.820 -0.015 0.000 2.260 136 A HA 0.577 4.881 4.320 -0.028 0.000 0.308 136 A C -0.290 177.311 177.584 0.028 0.000 1.254 136 A CA -0.261 51.781 52.037 0.009 0.000 0.874 136 A CB 0.064 19.070 19.000 0.010 0.000 1.153 136 A HN 0.749 nan 8.150 nan 0.000 0.527 137 C N 4.979 124.324 119.300 0.074 0.000 3.276 137 C HA 0.399 4.842 4.460 -0.028 0.000 0.226 137 C C -2.281 172.869 174.990 0.266 0.000 1.502 137 C CA -1.167 57.962 59.018 0.184 0.000 1.488 137 C CB -0.622 27.263 27.740 0.242 0.000 2.014 137 C HN 0.736 nan 8.230 nan 0.000 0.492 138 P HA 0.587 nan 4.420 nan 0.000 0.282 138 P C 0.391 177.757 177.300 0.111 0.000 1.259 138 P CA 0.987 64.150 63.100 0.104 0.000 0.826 138 P CB 1.381 33.119 31.700 0.063 0.000 1.064 139 G N -0.518 108.281 108.800 -0.002 0.000 2.660 139 G HA2 0.363 4.307 3.960 -0.028 0.000 0.247 139 G HA3 0.363 4.307 3.960 -0.028 0.000 0.247 139 G C -0.004 174.763 174.900 -0.222 0.000 1.328 139 G CA 0.228 45.298 45.100 -0.049 0.000 0.884 139 G HN 1.133 nan 8.290 nan 0.000 0.531 140 G N -2.118 106.535 108.800 -0.244 0.000 2.693 140 G HA2 0.142 4.086 3.960 -0.028 0.000 0.226 140 G HA3 0.142 4.086 3.960 -0.028 0.000 0.226 140 G C -0.074 174.563 174.900 -0.438 0.000 1.354 140 G CA 0.547 45.331 45.100 -0.528 0.000 0.873 140 G HN 1.843 nan 8.290 nan 0.000 0.562 141 W N 0.523 121.630 121.300 -0.323 0.000 2.551 141 W HA 0.572 5.215 4.660 -0.028 0.000 0.330 141 W C 0.693 177.061 176.519 -0.250 0.000 1.063 141 W CA -1.115 56.074 57.345 -0.261 0.000 1.222 141 W CB 0.203 29.600 29.460 -0.104 0.000 1.349 141 W HN 0.667 nan 8.180 nan 0.000 0.536 142 H N 1.141 120.283 119.070 0.120 0.000 2.964 142 H HA -0.087 4.453 4.556 -0.028 0.000 0.328 142 H C 1.001 176.397 175.328 0.114 0.000 1.030 142 H CA 0.316 56.426 56.048 0.103 0.000 1.445 142 H CB 1.305 31.205 29.762 0.229 0.000 1.449 142 H HN 0.409 nan 8.280 nan 0.000 0.581 143 D N 2.588 123.149 120.400 0.268 0.000 2.117 143 D HA -0.083 4.541 4.640 -0.028 0.000 0.197 143 D C 0.856 177.219 176.300 0.105 0.000 0.987 143 D CA 1.613 55.755 54.000 0.237 0.000 0.829 143 D CB 0.401 41.445 40.800 0.406 0.000 0.961 143 D HN 0.626 nan 8.370 nan 0.000 0.460 144 A N -1.613 121.287 122.820 0.135 0.000 3.865 144 A HA 0.543 4.846 4.320 -0.028 0.000 0.150 144 A C 1.548 179.240 177.584 0.179 0.000 0.996 144 A CA 0.105 52.181 52.037 0.065 0.000 1.746 144 A CB -0.468 18.477 19.000 -0.092 0.000 2.443 144 A HN 0.082 nan 8.150 nan 0.000 1.021 145 G N 0.572 109.458 108.800 0.145 0.000 2.471 145 G HA2 0.169 4.113 3.960 -0.028 0.000 0.219 145 G HA3 0.169 4.113 3.960 -0.028 0.000 0.219 145 G C 0.461 175.265 174.900 -0.159 0.000 1.125 145 G CA 1.564 46.744 45.100 0.134 0.000 0.775 145 G HN 0.878 nan 8.290 nan 0.000 0.548 146 D N -1.161 119.161 120.400 -0.129 0.000 2.529 146 D HA 0.224 4.847 4.640 -0.028 0.000 0.273 146 D C -0.318 175.785 176.300 -0.328 0.000 1.197 146 D CA -0.943 52.909 54.000 -0.245 0.000 1.070 146 D CB 0.490 41.386 40.800 0.161 0.000 1.134 146 D HN 0.089 nan 8.370 nan 0.000 0.590 147 Y N -1.103 119.172 120.300 -0.040 0.000 2.681 147 Y HA 0.400 4.933 4.550 -0.028 0.000 0.267 147 Y C 1.220 176.954 175.900 -0.277 0.000 1.166 147 Y CA -0.736 57.145 58.100 -0.365 0.000 1.209 147 Y CB 0.563 38.713 38.460 -0.517 0.000 1.161 147 Y HN 0.451 nan 8.280 nan 0.000 0.534 148 G N 0.923 109.744 108.800 0.035 0.000 2.572 148 G HA2 0.430 4.374 3.960 -0.028 0.000 0.261 148 G HA3 0.430 4.374 3.960 -0.028 0.000 0.261 148 G C -0.408 174.340 174.900 -0.254 0.000 1.197 148 G CA -0.670 44.287 45.100 -0.238 0.000 0.870 148 G HN 0.155 nan 8.290 nan 0.000 0.548 149 K N 0.750 120.839 120.400 -0.518 0.000 2.502 149 K HA 0.312 4.615 4.320 -0.028 0.000 0.254 149 K C -1.819 174.628 176.600 -0.256 0.000 0.947 149 K CA -0.455 55.561 56.287 -0.451 0.000 0.834 149 K CB 2.059 34.000 32.500 -0.932 0.000 1.112 149 K HN 0.491 nan 8.250 nan 0.000 0.427 150 Y N 0.650 120.943 120.300 -0.011 0.000 2.331 150 Y HA 0.156 4.689 4.550 -0.028 0.000 0.334 150 Y C 1.516 177.360 175.900 -0.094 0.000 0.960 150 Y CA -0.916 57.118 58.100 -0.110 0.000 1.130 150 Y CB 1.852 40.090 38.460 -0.369 0.000 1.164 150 Y HN 0.549 nan 8.280 nan 0.000 0.458 151 T N 0.764 115.322 114.554 0.006 0.000 2.635 151 T HA -0.196 4.138 4.350 -0.028 0.000 0.267 151 T C 1.981 176.599 174.700 -0.137 0.000 1.040 151 T CA 1.948 64.000 62.100 -0.080 0.000 1.156 151 T CB -0.165 68.559 68.868 -0.240 0.000 0.863 151 T HN 0.512 nan 8.240 nan 0.000 0.430 152 V N 2.788 122.516 119.914 -0.310 0.000 2.220 152 V HA -0.132 3.972 4.120 -0.028 0.000 0.246 152 V C -0.274 175.685 176.094 -0.226 0.000 1.049 152 V CA 2.023 64.188 62.300 -0.225 0.000 1.003 152 V CB -1.490 30.203 31.823 -0.218 0.000 0.634 152 V HN 0.422 nan 8.190 nan 0.000 0.444 153 P HA -0.129 nan 4.420 nan 0.000 0.220 153 P C 1.491 178.748 177.300 -0.072 0.000 1.148 153 P CA 1.973 64.724 63.100 -0.583 0.000 0.803 153 P CB -0.085 30.905 31.700 -1.183 0.000 0.782 154 A N 0.862 123.700 122.820 0.030 0.000 1.902 154 A HA -0.073 4.231 4.320 -0.028 0.000 0.217 154 A C 2.512 180.212 177.584 0.194 0.000 1.181 154 A CA 2.112 54.289 52.037 0.233 0.000 0.623 154 A CB -1.516 17.686 19.000 0.337 0.000 0.818 154 A HN 0.232 nan 8.150 nan 0.000 0.443 155 A N 0.059 122.942 122.820 0.104 0.000 1.908 155 A HA -0.218 4.085 4.320 -0.028 0.000 0.218 155 A C 2.120 179.809 177.584 0.175 0.000 1.181 155 A CA 2.202 54.304 52.037 0.108 0.000 0.627 155 A CB -0.512 18.547 19.000 0.097 0.000 0.818 155 A HN 0.604 nan 8.150 nan 0.000 0.445 156 K N -0.268 120.228 120.400 0.160 0.000 2.063 156 K HA -0.111 4.192 4.320 -0.028 0.000 0.208 156 K C 2.079 178.803 176.600 0.207 0.000 1.048 156 K CA 1.471 57.823 56.287 0.109 0.000 0.928 156 K CB -0.374 32.252 32.500 0.210 0.000 0.713 156 K HN 0.351 nan 8.250 nan 0.000 0.442 157 A N 0.450 123.465 122.820 0.325 0.000 1.930 157 A HA -0.076 4.228 4.320 -0.028 0.000 0.217 157 A C 2.228 180.005 177.584 0.321 0.000 1.175 157 A CA 1.540 53.831 52.037 0.423 0.000 0.627 157 A CB -0.491 18.906 19.000 0.661 0.000 0.815 157 A HN 0.186 nan 8.150 nan 0.000 0.443 158 V N -0.289 119.787 119.914 0.270 0.000 2.323 158 V HA -0.173 3.930 4.120 -0.028 0.000 0.244 158 V C 3.070 179.191 176.094 0.044 0.000 1.041 158 V CA 1.730 64.118 62.300 0.147 0.000 1.025 158 V CB -1.194 30.659 31.823 0.050 0.000 0.656 158 V HN 0.603 nan 8.190 nan 0.000 0.451 159 A N 0.179 123.022 122.820 0.038 0.000 1.873 159 A HA -0.319 3.985 4.320 -0.028 0.000 0.218 159 A C 1.966 179.582 177.584 0.053 0.000 1.193 159 A CA 2.387 54.427 52.037 0.004 0.000 0.629 159 A CB -0.831 18.136 19.000 -0.055 0.000 0.826 159 A HN 0.548 nan 8.150 nan 0.000 0.447 160 D N -0.086 120.384 120.400 0.116 0.000 2.104 160 D HA -0.138 4.486 4.640 -0.028 0.000 0.194 160 D C 1.930 178.326 176.300 0.161 0.000 0.994 160 D CA 1.212 55.299 54.000 0.145 0.000 0.830 160 D CB -0.356 40.567 40.800 0.204 0.000 0.959 160 D HN 0.465 nan 8.370 nan 0.000 0.452 161 L N 0.037 121.324 121.223 0.107 0.000 2.109 161 L HA -0.061 4.262 4.340 -0.028 0.000 0.207 161 L C 2.498 179.416 176.870 0.080 0.000 1.086 161 L CA 0.449 55.333 54.840 0.073 0.000 0.760 161 L CB -0.279 41.744 42.059 -0.060 0.000 0.910 161 L HN 0.063 nan 8.230 nan 0.000 0.437 162 L N -0.447 120.777 121.223 0.001 0.000 2.046 162 L HA -0.234 4.089 4.340 -0.028 0.000 0.208 162 L C 2.547 179.485 176.870 0.113 0.000 1.077 162 L CA 1.150 55.961 54.840 -0.049 0.000 0.747 162 L CB -0.514 41.343 42.059 -0.338 0.000 0.896 162 L HN 0.259 nan 8.230 nan 0.000 0.432 163 L N -0.120 121.194 121.223 0.152 0.000 2.042 163 L HA -0.245 4.079 4.340 -0.028 0.000 0.210 163 L C 2.908 180.032 176.870 0.424 0.000 1.076 163 L CA 1.342 56.364 54.840 0.302 0.000 0.749 163 L CB -0.763 41.363 42.059 0.112 0.000 0.893 163 L HN 0.262 nan 8.230 nan 0.000 0.432 164 A N -0.642 122.454 122.820 0.460 0.000 1.902 164 A HA -0.301 4.003 4.320 -0.028 0.000 0.217 164 A C 2.112 179.805 177.584 0.183 0.000 1.181 164 A CA 2.029 54.294 52.037 0.380 0.000 0.623 164 A CB -0.835 18.393 19.000 0.380 0.000 0.818 164 A HN 0.573 nan 8.150 nan 0.000 0.443 165 H N -0.110 119.015 119.070 0.092 0.000 2.326 165 H HA -0.067 4.472 4.556 -0.028 0.000 0.301 165 H C 1.932 177.278 175.328 0.032 0.000 1.081 165 H CA 1.973 58.035 56.048 0.022 0.000 1.334 165 H CB -0.145 29.580 29.762 -0.061 0.000 1.385 165 H HN 0.565 nan 8.280 nan 0.000 0.504 166 E N -0.847 119.415 120.200 0.104 0.000 2.160 166 E HA -0.217 4.117 4.350 -0.028 0.000 0.195 166 E C 1.618 178.167 176.600 -0.085 0.000 0.991 166 E CA 1.389 57.828 56.400 0.065 0.000 0.810 166 E CB -0.080 29.783 29.700 0.272 0.000 0.742 166 E HN 0.654 nan 8.360 nan 0.000 0.466 167 Y N -1.415 118.670 120.300 -0.358 0.000 2.396 167 Y HA 0.018 4.551 4.550 -0.029 0.000 0.292 167 Y C 0.823 176.223 175.900 -0.834 0.000 1.128 167 Y CA 0.192 57.852 58.100 -0.733 0.000 1.194 167 Y CB 0.633 38.310 38.460 -1.305 0.000 1.124 167 Y HN -0.074 nan 8.280 nan 0.000 0.543 168 F N -0.226 119.723 119.950 -0.001 0.000 2.761 168 F HA 0.355 4.866 4.527 -0.026 0.000 0.367 168 F C -2.024 173.707 175.800 -0.114 0.000 1.386 168 F CA -2.986 54.965 58.000 -0.081 0.000 1.177 168 F CB 0.002 38.924 39.000 -0.130 0.000 1.092 168 F HN -0.105 nan 8.300 nan 0.000 0.517 169 P HA -0.166 nan 4.420 nan 0.000 0.218 169 P C 1.607 178.864 177.300 -0.073 0.000 1.149 169 P CA 1.574 64.587 63.100 -0.146 0.000 0.817 169 P CB 0.385 31.914 31.700 -0.284 0.000 0.785 170 A N 1.060 123.841 122.820 -0.064 0.000 1.865 170 A HA -0.106 4.197 4.320 -0.028 0.000 0.217 170 A C 2.562 180.007 177.584 -0.232 0.000 1.191 170 A CA 2.508 54.470 52.037 -0.126 0.000 0.623 170 A CB -1.657 17.297 19.000 -0.077 0.000 0.826 170 A HN 0.222 nan 8.150 nan 0.000 0.444 171 A N -0.448 122.309 122.820 -0.106 0.000 1.883 171 A HA -0.116 4.188 4.320 -0.028 0.000 0.217 171 A C 2.182 179.713 177.584 -0.089 0.000 1.186 171 A CA 1.730 53.703 52.037 -0.108 0.000 0.624 171 A CB -0.735 18.246 19.000 -0.032 0.000 0.822 171 A HN 0.477 nan 8.150 nan 0.000 0.444 172 L N -0.730 120.482 121.223 -0.018 0.000 2.191 172 L HA -0.163 4.160 4.340 -0.028 0.000 0.212 172 L C 3.010 179.890 176.870 0.017 0.000 1.103 172 L CA 0.845 55.699 54.840 0.024 0.000 0.769 172 L CB -0.442 41.654 42.059 0.062 0.000 0.908 172 L HN 0.439 nan 8.230 nan 0.000 0.438 173 A N -0.553 122.248 122.820 -0.032 0.000 1.940 173 A HA -0.247 4.056 4.320 -0.028 0.000 0.219 173 A C 1.801 179.465 177.584 0.132 0.000 1.176 173 A CA 1.609 53.659 52.037 0.022 0.000 0.631 173 A CB -0.969 18.025 19.000 -0.010 0.000 0.814 173 A HN 0.594 nan 8.150 nan 0.000 0.446 174 H N -1.383 117.716 119.070 0.048 0.000 2.547 174 H HA 0.313 4.853 4.556 -0.027 0.000 0.274 174 H C 0.184 175.540 175.328 0.047 0.000 1.024 174 H CA -0.155 55.921 56.048 0.046 0.000 1.155 174 H CB -0.206 29.584 29.762 0.047 0.000 1.344 174 H HN 0.427 nan 8.280 nan 0.000 0.598 175 V N -1.686 118.315 119.914 0.145 0.000 2.960 175 V HA 0.511 4.614 4.120 -0.028 0.000 0.315 175 V C -0.397 175.746 176.094 0.081 0.000 1.087 175 V CA -1.339 61.026 62.300 0.109 0.000 0.982 175 V CB 2.865 34.748 31.823 0.100 0.000 1.039 175 V HN 0.127 nan 8.190 nan 0.000 0.437 176 R N 3.247 123.792 120.500 0.075 0.000 2.439 176 R HA 0.630 4.953 4.340 -0.028 0.000 0.310 176 R C -2.717 173.621 176.300 0.064 0.000 0.955 176 R CA -1.834 54.298 56.100 0.054 0.000 0.853 176 R CB 2.535 32.862 30.300 0.044 0.000 1.171 176 R HN 0.745 nan 8.270 nan 0.000 0.449 177 P HA 0.147 nan 4.420 nan 0.000 0.318 177 P C -0.236 177.118 177.300 0.090 0.000 1.309 177 P CA -0.340 62.814 63.100 0.091 0.000 0.736 177 P CB 0.596 32.348 31.700 0.087 0.000 1.440 178 M N 0.128 119.801 119.600 0.123 0.000 3.436 178 M HA 0.186 4.650 4.480 -0.028 0.000 0.240 178 M C 1.539 177.907 176.300 0.113 0.000 1.469 178 M CA 0.117 55.443 55.300 0.043 0.000 1.622 178 M CB -0.406 32.146 32.600 -0.080 0.000 1.098 178 M HN 0.230 nan 8.290 nan 0.000 0.568 179 R N 0.522 121.074 120.500 0.087 0.000 2.133 179 R HA -0.166 4.158 4.340 -0.028 0.000 0.247 179 R C 2.247 178.596 176.300 0.081 0.000 1.151 179 R CA 2.186 58.307 56.100 0.035 0.000 0.971 179 R CB -0.057 30.095 30.300 -0.246 0.000 0.866 179 R HN 0.668 nan 8.270 nan 0.000 0.447 180 S N -0.410 115.307 115.700 0.028 0.000 2.522 180 S HA -0.052 4.401 4.470 -0.028 0.000 0.227 180 S C 1.805 176.408 174.600 0.005 0.000 0.986 180 S CA 0.718 58.947 58.200 0.048 0.000 0.929 180 S CB 0.084 63.294 63.200 0.017 0.000 0.769 180 S HN 0.276 nan 8.310 nan 0.000 0.529 181 V N -1.487 118.358 119.914 -0.115 0.000 3.623 181 V HA 0.301 4.404 4.120 -0.028 0.000 0.271 181 V C 0.264 176.187 176.094 -0.285 0.000 1.248 181 V CA -0.199 61.963 62.300 -0.231 0.000 1.156 181 V CB -1.076 30.550 31.823 -0.328 0.000 0.870 181 V HN 0.482 nan 8.190 nan 0.000 0.453 182 H N 1.252 120.391 119.070 0.115 0.000 2.529 182 H HA 0.534 5.073 4.556 -0.027 0.000 0.348 182 H C 0.116 175.497 175.328 0.089 0.000 1.152 182 H CA -0.686 55.433 56.048 0.119 0.000 1.202 182 H CB 1.808 31.677 29.762 0.177 0.000 1.562 182 H HN 0.322 nan 8.280 nan 0.000 0.515 183 R N 1.097 121.670 120.500 0.122 0.000 2.698 183 R HA 0.294 4.618 4.340 -0.028 0.000 0.266 183 R C -0.512 175.648 176.300 -0.233 0.000 1.026 183 R CA -0.243 55.844 56.100 -0.022 0.000 1.102 183 R CB 0.334 30.624 30.300 -0.016 0.000 0.978 183 R HN 0.687 nan 8.270 nan 0.000 0.436 184 A N 5.271 127.921 122.820 -0.283 0.000 2.310 184 A HA 0.478 4.782 4.320 -0.028 0.000 0.299 184 A C -2.096 175.386 177.584 -0.170 0.000 1.147 184 A CA -1.567 50.233 52.037 -0.395 0.000 0.818 184 A CB 0.432 19.283 19.000 -0.248 0.000 1.096 184 A HN 0.762 nan 8.150 nan 0.000 0.495 185 P HA 0.258 nan 4.420 nan 0.000 0.282 185 P C -0.832 176.358 177.300 -0.184 0.000 1.249 185 P CA -0.233 62.787 63.100 -0.133 0.000 0.806 185 P CB 0.500 32.196 31.700 -0.006 0.000 0.984 186 H N 1.341 120.440 119.070 0.048 0.000 2.683 186 H HA 0.261 4.800 4.556 -0.028 0.000 0.339 186 H C 0.499 175.828 175.328 0.003 0.000 1.081 186 H CA 0.065 56.129 56.048 0.026 0.000 1.432 186 H CB 0.641 30.421 29.762 0.030 0.000 1.462 186 H HN 0.297 nan 8.280 nan 0.000 0.557 187 L N 4.103 125.360 121.223 0.057 0.000 2.365 187 L HA 0.325 4.648 4.340 -0.028 0.000 0.267 187 L C -1.854 174.936 176.870 -0.134 0.000 1.033 187 L CA -2.222 52.552 54.840 -0.110 0.000 0.802 187 L CB 0.683 42.613 42.059 -0.214 0.000 1.267 187 L HN 0.400 nan 8.230 nan 0.000 0.457 188 P HA -0.017 nan 4.420 nan 0.000 0.261 188 P C -2.235 174.982 177.300 -0.140 0.000 1.173 188 P CA -0.784 62.223 63.100 -0.154 0.000 0.760 188 P CB -0.050 31.545 31.700 -0.175 0.000 0.783 189 P HA -0.271 nan 4.420 nan 0.000 0.218 189 P C 1.407 178.662 177.300 -0.075 0.000 1.154 189 P CA 2.536 65.605 63.100 -0.051 0.000 0.872 189 P CB -0.261 31.442 31.700 0.004 0.000 0.790 190 A N -1.074 121.714 122.820 -0.054 0.000 1.897 190 A HA -0.121 4.182 4.320 -0.028 0.000 0.215 190 A C 2.214 179.725 177.584 -0.122 0.000 1.181 190 A CA 1.275 53.278 52.037 -0.058 0.000 0.620 190 A CB -1.520 17.493 19.000 0.022 0.000 0.821 190 A HN 0.109 nan 8.150 nan 0.000 0.443 191 L N -0.710 120.356 121.223 -0.261 0.000 2.141 191 L HA -0.188 4.136 4.340 -0.028 0.000 0.209 191 L C 2.594 179.419 176.870 -0.075 0.000 1.094 191 L CA 1.751 56.394 54.840 -0.328 0.000 0.763 191 L CB -0.487 41.057 42.059 -0.858 0.000 0.908 191 L HN 0.638 nan 8.230 nan 0.000 0.437 192 E N 0.339 120.446 120.200 -0.155 0.000 2.051 192 E HA -0.184 4.149 4.350 -0.028 0.000 0.192 192 E C 2.169 178.613 176.600 -0.259 0.000 0.991 192 E CA 1.545 57.828 56.400 -0.194 0.000 0.799 192 E CB 0.078 29.632 29.700 -0.245 0.000 0.748 192 E HN 0.202 nan 8.360 nan 0.000 0.449 193 V N 1.266 121.078 119.914 -0.169 0.000 2.307 193 V HA -0.246 3.858 4.120 -0.028 0.000 0.245 193 V C 2.509 178.736 176.094 0.222 0.000 1.045 193 V CA 1.804 64.125 62.300 0.036 0.000 1.024 193 V CB -0.945 30.898 31.823 0.033 0.000 0.651 193 V HN 0.502 nan 8.190 nan 0.000 0.449 194 A N 0.202 123.108 122.820 0.144 0.000 1.948 194 A HA -0.310 3.994 4.320 -0.028 0.000 0.220 194 A C 2.388 179.991 177.584 0.032 0.000 1.177 194 A CA 2.305 54.443 52.037 0.167 0.000 0.636 194 A CB -0.662 18.422 19.000 0.141 0.000 0.815 194 A HN 0.519 nan 8.150 nan 0.000 0.449 195 R N -0.343 120.179 120.500 0.037 0.000 2.105 195 R HA -0.176 4.148 4.340 -0.028 0.000 0.239 195 R C 1.857 178.080 176.300 -0.128 0.000 1.135 195 R CA 1.655 57.681 56.100 -0.123 0.000 0.967 195 R CB -0.221 30.029 30.300 -0.083 0.000 0.861 195 R HN 0.521 nan 8.270 nan 0.000 0.442 196 E N 0.429 120.601 120.200 -0.047 0.000 2.097 196 E HA -0.247 4.086 4.350 -0.028 0.000 0.196 196 E C 1.793 178.238 176.600 -0.259 0.000 1.000 196 E CA 1.537 57.893 56.400 -0.074 0.000 0.804 196 E CB -0.113 29.624 29.700 0.061 0.000 0.740 196 E HN 0.435 nan 8.360 nan 0.000 0.454 197 E N 0.599 120.477 120.200 -0.537 0.000 2.112 197 E HA -0.019 4.314 4.350 -0.028 0.000 0.190 197 E C 2.107 178.558 176.600 -0.248 0.000 0.979 197 E CA 0.376 56.386 56.400 -0.650 0.000 0.814 197 E CB -0.136 28.669 29.700 -1.492 0.000 0.762 197 E HN 0.194 nan 8.360 nan 0.000 0.460 198 I N 0.521 120.931 120.570 -0.267 0.000 2.226 198 I HA -0.285 3.868 4.170 -0.028 0.000 0.245 198 I C 2.371 178.361 176.117 -0.211 0.000 1.100 198 I CA 1.039 62.185 61.300 -0.257 0.000 1.374 198 I CB -0.454 37.343 38.000 -0.339 0.000 1.057 198 I HN 0.193 nan 8.210 nan 0.000 0.413 199 A N 0.642 123.362 122.820 -0.167 0.000 1.851 199 A HA -0.294 4.010 4.320 -0.028 0.000 0.216 199 A C 2.111 179.664 177.584 -0.052 0.000 1.195 199 A CA 1.961 53.935 52.037 -0.105 0.000 0.622 199 A CB -1.417 17.541 19.000 -0.069 0.000 0.831 199 A HN 0.670 nan 8.150 nan 0.000 0.444 200 W N 0.756 121.948 121.300 -0.180 0.000 2.318 200 W HA -0.219 4.426 4.660 -0.026 0.000 0.313 200 W C 1.726 178.184 176.519 -0.101 0.000 1.221 200 W CA 2.070 59.326 57.345 -0.149 0.000 1.266 200 W CB -0.657 28.684 29.460 -0.198 0.000 1.150 200 W HN 0.256 nan 8.180 nan 0.000 0.496 201 L N 0.329 121.215 121.223 -0.562 0.000 2.079 201 L HA -0.266 4.058 4.340 -0.028 0.000 0.210 201 L C 2.615 179.323 176.870 -0.271 0.000 1.081 201 L CA 1.365 55.790 54.840 -0.692 0.000 0.752 201 L CB -0.934 40.929 42.059 -0.327 0.000 0.896 201 L HN 0.094 nan 8.230 nan 0.000 0.433 202 L N -0.486 120.642 121.223 -0.159 0.000 2.131 202 L HA -0.196 4.128 4.340 -0.028 0.000 0.210 202 L C 2.647 179.441 176.870 -0.127 0.000 1.092 202 L CA 1.797 56.617 54.840 -0.034 0.000 0.759 202 L CB -0.864 41.152 42.059 -0.073 0.000 0.903 202 L HN 0.447 nan 8.230 nan 0.000 0.435 203 T N -3.389 111.037 114.554 -0.214 0.000 3.160 203 T HA -0.047 4.287 4.350 -0.028 0.000 0.257 203 T C 1.521 176.079 174.700 -0.237 0.000 1.147 203 T CA 0.381 62.371 62.100 -0.184 0.000 1.064 203 T CB 0.016 68.815 68.868 -0.115 0.000 0.949 203 T HN 0.101 nan 8.240 nan 0.000 0.526 204 M N 0.460 119.832 119.600 -0.380 0.000 2.502 204 M HA 0.296 4.760 4.480 -0.028 0.000 0.243 204 M C 0.957 177.052 176.300 -0.342 0.000 1.130 204 M CA 0.163 55.264 55.300 -0.333 0.000 1.055 204 M CB -0.542 31.732 32.600 -0.544 0.000 1.457 204 M HN 0.445 nan 8.290 nan 0.000 0.488 205 Q N 2.252 121.780 119.800 -0.453 0.000 2.295 205 Q HA 0.069 4.393 4.340 -0.028 0.000 0.259 205 Q C -0.755 175.063 176.000 -0.303 0.000 0.976 205 Q CA -0.205 55.263 55.803 -0.559 0.000 0.923 205 Q CB 0.940 29.321 28.738 -0.594 0.000 1.185 205 Q HN 0.068 nan 8.270 nan 0.000 0.410 206 D N 5.811 125.993 120.400 -0.363 0.000 2.358 206 D HA 0.069 4.692 4.640 -0.028 0.000 0.258 206 D C -1.858 174.361 176.300 -0.134 0.000 1.223 206 D CA -1.771 52.118 54.000 -0.184 0.000 0.886 206 D CB 1.322 41.955 40.800 -0.279 0.000 1.120 206 D HN 0.371 nan 8.370 nan 0.000 0.482 207 P HA -0.128 nan 4.420 nan 0.000 0.218 207 P C 1.092 178.382 177.300 -0.017 0.000 1.148 207 P CA 1.454 64.530 63.100 -0.040 0.000 0.822 207 P CB 0.054 31.742 31.700 -0.020 0.000 0.784 208 A N -0.094 122.724 122.820 -0.004 0.000 1.869 208 A HA -0.260 4.044 4.320 -0.028 0.000 0.218 208 A C 2.228 179.836 177.584 0.040 0.000 1.203 208 A CA 3.433 55.482 52.037 0.021 0.000 0.638 208 A CB -1.793 17.227 19.000 0.034 0.000 0.831 208 A HN 0.387 nan 8.150 nan 0.000 0.450 209 T N -6.198 108.378 114.554 0.037 0.000 2.969 209 T HA 0.455 4.788 4.350 -0.028 0.000 0.250 209 T C 1.545 176.334 174.700 0.149 0.000 1.021 209 T CA 1.059 63.239 62.100 0.134 0.000 1.003 209 T CB 0.508 69.509 68.868 0.222 0.000 1.040 209 T HN 1.902 nan 8.240 nan 0.000 0.492 210 G N 1.180 109.965 108.800 -0.026 0.000 2.199 210 G HA2 -0.086 3.857 3.960 -0.028 0.000 0.254 210 G HA3 -0.086 3.857 3.960 -0.028 0.000 0.254 210 G C 0.569 175.243 174.900 -0.377 0.000 0.982 210 G CA -0.004 45.036 45.100 -0.099 0.000 0.632 210 G HN 1.028 nan 8.290 nan 0.000 0.529 211 G N -0.985 107.398 108.800 -0.695 0.000 2.636 211 G HA2 0.563 4.507 3.960 -0.028 0.000 0.246 211 G HA3 0.563 4.507 3.960 -0.028 0.000 0.246 211 G C -0.240 173.989 174.900 -1.118 0.000 1.216 211 G CA 0.432 44.616 45.100 -1.527 0.000 0.854 211 G HN 1.083 nan 8.290 nan 0.000 0.572 212 V N 0.803 120.026 119.914 -1.152 0.000 2.588 212 V HA 0.258 4.362 4.120 -0.028 0.000 0.304 212 V C -1.013 174.642 176.094 -0.731 0.000 1.042 212 V CA -0.880 60.852 62.300 -0.947 0.000 0.877 212 V CB 1.499 32.743 31.823 -0.965 0.000 0.996 212 V HN 0.608 nan 8.190 nan 0.000 0.425 213 Y N 2.651 122.710 120.300 -0.401 0.000 2.526 213 Y HA 0.120 4.654 4.550 -0.026 0.000 0.330 213 Y C 1.545 177.317 175.900 -0.213 0.000 1.156 213 Y CA 0.334 58.292 58.100 -0.236 0.000 1.419 213 Y CB 0.167 38.529 38.460 -0.163 0.000 1.250 213 Y HN 0.777 nan 8.280 nan 0.000 0.540 214 H N 2.220 121.218 119.070 -0.120 0.000 2.387 214 H HA -0.067 4.472 4.556 -0.028 0.000 0.299 214 H C -0.105 175.103 175.328 -0.199 0.000 1.090 214 H CA 1.873 57.737 56.048 -0.307 0.000 1.332 214 H CB 0.333 29.629 29.762 -0.777 0.000 1.386 214 H HN 0.679 nan 8.280 nan 0.000 0.516 215 K N -1.929 118.447 120.400 -0.040 0.000 2.625 215 K HA 0.407 4.710 4.320 -0.028 0.000 0.284 215 K C -1.920 174.664 176.600 -0.027 0.000 0.984 215 K CA -0.925 55.323 56.287 -0.066 0.000 0.865 215 K CB 1.459 33.886 32.500 -0.123 0.000 1.468 215 K HN -0.096 nan 8.250 nan 0.000 0.407 216 V N 1.642 121.522 119.914 -0.057 0.000 2.407 216 V HA 0.701 4.805 4.120 -0.028 0.000 0.291 216 V C -1.179 174.797 176.094 -0.197 0.000 1.018 216 V CA 0.507 62.766 62.300 -0.067 0.000 0.842 216 V CB 1.102 32.944 31.823 0.031 0.000 0.996 216 V HN 1.030 nan 8.190 nan 0.000 0.426 217 T N 1.713 116.169 114.554 -0.163 0.000 2.864 217 T HA 0.595 4.929 4.350 -0.028 0.000 0.299 217 T C 0.047 174.694 174.700 -0.088 0.000 1.166 217 T CA -0.094 61.895 62.100 -0.184 0.000 1.007 217 T CB 1.494 70.228 68.868 -0.223 0.000 1.219 217 T HN 0.994 nan 8.240 nan 0.000 0.506 218 T N -0.507 114.009 114.554 -0.064 0.000 2.802 218 T HA 0.316 4.649 4.350 -0.028 0.000 0.305 218 T C -1.732 172.940 174.700 -0.046 0.000 1.053 218 T CA -1.012 61.076 62.100 -0.021 0.000 1.058 218 T CB -0.337 68.542 68.868 0.019 0.000 0.988 218 T HN 0.397 nan 8.240 nan 0.000 0.539 219 P HA 0.030 nan 4.420 nan 0.000 0.220 219 P C 0.422 177.671 177.300 -0.086 0.000 1.148 219 P CA 0.833 63.921 63.100 -0.020 0.000 0.803 219 P CB 0.053 31.764 31.700 0.018 0.000 0.782 220 S N -3.164 112.472 115.700 -0.106 0.000 2.688 220 S HA 0.503 4.956 4.470 -0.028 0.000 0.275 220 S C -0.847 173.656 174.600 -0.161 0.000 1.175 220 S CA -0.975 57.098 58.200 -0.211 0.000 0.818 220 S CB 0.324 63.476 63.200 -0.080 0.000 1.157 220 S HN -0.230 nan 8.310 nan 0.000 0.482 221 F N 2.963 122.944 119.950 0.051 0.000 2.495 221 F HA 0.437 4.948 4.527 -0.028 0.000 0.365 221 F C -1.254 174.576 175.800 0.049 0.000 1.090 221 F CA -1.332 56.695 58.000 0.044 0.000 1.235 221 F CB -0.257 38.762 39.000 0.032 0.000 1.119 221 F HN 0.408 nan 8.300 nan 0.000 0.562 222 P HA 0.241 nan 4.420 nan 0.000 0.275 222 P C -2.714 174.669 177.300 0.139 0.000 1.266 222 P CA -1.446 61.757 63.100 0.172 0.000 0.793 222 P CB -0.106 31.705 31.700 0.184 0.000 1.074 223 P HA 0.109 nan 4.420 nan 0.000 0.269 223 P C 1.466 178.780 177.300 0.024 0.000 1.209 223 P CA -0.083 63.056 63.100 0.064 0.000 0.776 223 P CB 0.298 32.030 31.700 0.054 0.000 0.876 224 L N 0.883 122.096 121.223 -0.017 0.000 2.151 224 L HA -0.222 4.102 4.340 -0.028 0.000 0.215 224 L C 1.034 177.869 176.870 -0.058 0.000 1.084 224 L CA 1.785 56.566 54.840 -0.098 0.000 0.764 224 L CB -0.327 41.666 42.059 -0.111 0.000 0.891 224 L HN 0.468 nan 8.230 nan 0.000 0.435 225 D N 0.099 120.494 120.400 -0.008 0.000 3.134 225 D HA 0.063 4.686 4.640 -0.028 0.000 0.248 225 D C -0.599 175.721 176.300 0.032 0.000 1.273 225 D CA 0.111 54.118 54.000 0.011 0.000 0.904 225 D CB -0.011 40.798 40.800 0.016 0.000 1.089 225 D HN 0.005 nan 8.370 nan 0.000 0.478 226 T N 0.653 115.240 114.554 0.055 0.000 2.786 226 T HA 0.390 4.724 4.350 -0.028 0.000 0.283 226 T C 0.419 175.191 174.700 0.120 0.000 0.992 226 T CA -0.731 61.423 62.100 0.091 0.000 0.954 226 T CB 1.550 70.509 68.868 0.153 0.000 0.934 226 T HN 0.050 nan 8.240 nan 0.000 0.440 227 R N 3.597 124.119 120.500 0.036 0.000 2.643 227 R HA 0.151 4.474 4.340 -0.028 0.000 0.270 227 R C -1.170 175.017 176.300 -0.189 0.000 1.061 227 R CA -1.547 54.535 56.100 -0.029 0.000 1.107 227 R CB 0.400 30.664 30.300 -0.060 0.000 0.999 227 R HN 0.391 nan 8.270 nan 0.000 0.460 228 P HA -0.259 nan 4.420 nan 0.000 0.216 228 P C 0.608 177.505 177.300 -0.672 0.000 1.153 228 P CA 1.613 64.170 63.100 -0.906 0.000 0.858 228 P CB 0.058 31.297 31.700 -0.769 0.000 0.789 229 E N -0.087 119.855 120.200 -0.430 0.000 2.274 229 E HA -0.154 4.179 4.350 -0.028 0.000 0.194 229 E C 0.899 177.362 176.600 -0.228 0.000 0.996 229 E CA 0.983 57.211 56.400 -0.287 0.000 0.840 229 E CB -0.829 28.787 29.700 -0.141 0.000 0.772 229 E HN 0.200 nan 8.360 nan 0.000 0.491 230 D N 1.538 121.822 120.400 -0.193 0.000 2.323 230 D HA -0.062 4.561 4.640 -0.028 0.000 0.209 230 D C 0.061 176.291 176.300 -0.118 0.000 0.973 230 D CA 0.584 54.512 54.000 -0.119 0.000 0.874 230 D CB -0.324 40.436 40.800 -0.067 0.000 0.930 230 D HN 0.139 nan 8.370 nan 0.000 0.521 231 D N 1.245 121.532 120.400 -0.189 0.000 2.367 231 D HA -0.040 4.584 4.640 -0.028 0.000 0.255 231 D C 0.474 176.719 176.300 -0.092 0.000 1.300 231 D CA 0.106 54.041 54.000 -0.108 0.000 0.959 231 D CB 0.350 41.081 40.800 -0.116 0.000 1.064 231 D HN -0.143 nan 8.370 nan 0.000 0.509 232 D N 2.177 122.557 120.400 -0.034 0.000 2.348 232 D HA 0.054 4.678 4.640 -0.028 0.000 0.211 232 D C 0.518 176.822 176.300 0.007 0.000 0.998 232 D CA 0.093 54.079 54.000 -0.025 0.000 0.873 232 D CB 0.175 40.965 40.800 -0.016 0.000 0.925 232 D HN 0.494 nan 8.370 nan 0.000 0.524 233 A N 2.539 125.379 122.820 0.033 0.000 2.498 233 A HA 0.274 4.577 4.320 -0.028 0.000 0.239 233 A C -1.995 175.614 177.584 0.041 0.000 1.068 233 A CA -0.830 51.230 52.037 0.039 0.000 0.766 233 A CB -0.127 18.904 19.000 0.052 0.000 1.003 233 A HN -0.041 nan 8.150 nan 0.000 0.497 234 P HA 0.152 nan 4.420 nan 0.000 0.268 234 P C -0.785 176.530 177.300 0.024 0.000 1.208 234 P CA 0.256 63.369 63.100 0.022 0.000 0.777 234 P CB 0.374 32.080 31.700 0.011 0.000 0.875 235 L N 1.810 123.044 121.223 0.018 0.000 2.295 235 L HA 0.448 4.771 4.340 -0.028 0.000 0.285 235 L C -0.091 176.777 176.870 -0.003 0.000 1.035 235 L CA -0.951 53.892 54.840 0.006 0.000 0.806 235 L CB 1.668 43.732 42.059 0.008 0.000 1.214 235 L HN 0.085 nan 8.230 nan 0.000 0.426 236 V N 4.584 124.497 119.914 -0.001 0.000 2.604 236 V HA 0.399 4.503 4.120 -0.028 0.000 0.305 236 V C -0.075 176.019 176.094 0.000 0.000 1.043 236 V CA -0.587 61.727 62.300 0.024 0.000 0.888 236 V CB 2.280 34.161 31.823 0.096 0.000 0.995 236 V HN 0.520 nan 8.190 nan 0.000 0.429 237 L N 3.549 124.751 121.223 -0.036 0.000 2.261 237 L HA 0.405 4.728 4.340 -0.028 0.000 0.289 237 L C 0.555 177.452 176.870 0.046 0.000 1.059 237 L CA 0.171 54.951 54.840 -0.100 0.000 0.816 237 L CB 1.331 43.132 42.059 -0.430 0.000 1.191 237 L HN 0.670 nan 8.230 nan 0.000 0.431 238 S N 4.436 120.208 115.700 0.121 0.000 2.592 238 S HA 0.299 4.752 4.470 -0.028 0.000 0.271 238 S C -2.173 172.625 174.600 0.330 0.000 1.326 238 S CA -1.021 57.301 58.200 0.203 0.000 1.024 238 S CB 0.775 64.167 63.200 0.320 0.000 0.921 238 S HN 0.374 nan 8.310 nan 0.000 0.527 239 P HA 0.074 nan 4.420 nan 0.000 0.270 239 P C -0.104 177.363 177.300 0.278 0.000 1.221 239 P CA -0.153 63.156 63.100 0.347 0.000 0.788 239 P CB 0.209 32.040 31.700 0.219 0.000 0.904 240 I N 0.320 120.909 120.570 0.031 0.000 2.993 240 I HA -0.042 4.111 4.170 -0.028 0.000 0.301 240 I C 0.923 176.992 176.117 -0.080 0.000 1.229 240 I CA 1.273 62.395 61.300 -0.298 0.000 1.435 240 I CB -0.063 37.598 38.000 -0.564 0.000 1.328 240 I HN 0.401 nan 8.210 nan 0.000 0.584 241 S N 4.686 120.289 115.700 -0.162 0.000 2.549 241 S HA 0.290 4.743 4.470 -0.028 0.000 0.280 241 S C 0.303 174.891 174.600 -0.021 0.000 1.109 241 S CA -0.835 57.408 58.200 0.072 0.000 0.905 241 S CB 1.241 64.569 63.200 0.214 0.000 1.081 241 S HN 0.643 nan 8.310 nan 0.000 0.477 242 Y N 2.574 122.961 120.300 0.145 0.000 2.181 242 Y HA -0.018 4.514 4.550 -0.029 0.000 0.288 242 Y C 2.522 178.493 175.900 0.118 0.000 1.146 242 Y CA 2.358 60.605 58.100 0.245 0.000 1.164 242 Y CB -0.661 37.984 38.460 0.309 0.000 0.982 242 Y HN 0.930 nan 8.280 nan 0.000 0.515 243 A N 0.365 123.398 122.820 0.356 0.000 1.902 243 A HA -0.177 4.127 4.320 -0.028 0.000 0.217 243 A C 2.387 180.027 177.584 0.093 0.000 1.181 243 A CA 1.904 54.103 52.037 0.270 0.000 0.623 243 A CB -1.523 17.670 19.000 0.321 0.000 0.818 243 A HN 0.599 nan 8.150 nan 0.000 0.443 244 A N -0.875 121.961 122.820 0.026 0.000 1.865 244 A HA -0.127 4.176 4.320 -0.028 0.000 0.217 244 A C 2.342 179.797 177.584 -0.215 0.000 1.191 244 A CA 2.483 54.434 52.037 -0.144 0.000 0.623 244 A CB -1.444 17.430 19.000 -0.209 0.000 0.826 244 A HN 0.444 nan 8.150 nan 0.000 0.444 245 T N 0.363 114.705 114.554 -0.354 0.000 2.708 245 T HA -0.042 4.292 4.350 -0.028 0.000 0.266 245 T C 2.239 176.808 174.700 -0.218 0.000 1.037 245 T CA 1.820 63.656 62.100 -0.440 0.000 1.146 245 T CB -0.572 67.847 68.868 -0.748 0.000 0.865 245 T HN 0.621 nan 8.240 nan 0.000 0.435 246 A N 1.967 124.652 122.820 -0.224 0.000 1.858 246 A HA -0.155 4.148 4.320 -0.028 0.000 0.216 246 A C 2.669 180.151 177.584 -0.170 0.000 1.190 246 A CA 2.494 54.433 52.037 -0.163 0.000 0.617 246 A CB -1.423 17.530 19.000 -0.079 0.000 0.827 246 A HN 0.641 nan 8.150 nan 0.000 0.443 247 T N -2.902 111.579 114.554 -0.123 0.000 2.821 247 T HA -0.164 4.169 4.350 -0.028 0.000 0.267 247 T C 1.714 176.216 174.700 -0.330 0.000 1.046 247 T CA 1.478 63.437 62.100 -0.235 0.000 1.139 247 T CB -0.570 68.308 68.868 0.018 0.000 0.871 247 T HN 0.394 nan 8.240 nan 0.000 0.454 248 F N 1.455 121.204 119.950 -0.336 0.000 2.102 248 F HA -0.084 4.425 4.527 -0.029 0.000 0.298 248 F C 2.739 178.334 175.800 -0.343 0.000 1.105 248 F CA 0.983 58.784 58.000 -0.333 0.000 1.239 248 F CB -1.052 37.748 39.000 -0.334 0.000 0.991 248 F HN 0.343 nan 8.300 nan 0.000 0.474 249 C N 0.979 120.205 119.300 -0.124 0.000 2.413 249 C HA -0.139 4.304 4.460 -0.028 0.000 0.276 249 C C 3.071 177.796 174.990 -0.442 0.000 1.236 249 C CA 1.645 60.536 59.018 -0.213 0.000 1.735 249 C CB -1.868 25.839 27.740 -0.055 0.000 2.031 249 C HN 0.657 nan 8.230 nan 0.000 0.474 250 A N 0.223 122.649 122.820 -0.657 0.000 1.902 250 A HA 0.123 4.426 4.320 -0.028 0.000 0.217 250 A C 2.475 179.636 177.584 -0.705 0.000 1.181 250 A CA 2.311 53.742 52.037 -1.011 0.000 0.623 250 A CB -1.167 16.429 19.000 -2.339 0.000 0.818 250 A HN 0.901 nan 8.150 nan 0.000 0.443 251 A N -1.269 121.173 122.820 -0.629 0.000 1.929 251 A HA 0.001 4.304 4.320 -0.028 0.000 0.216 251 A C 2.126 179.528 177.584 -0.304 0.000 1.176 251 A CA 1.723 53.561 52.037 -0.332 0.000 0.628 251 A CB -0.403 18.427 19.000 -0.284 0.000 0.816 251 A HN 0.408 nan 8.150 nan 0.000 0.444 252 M N -0.216 119.093 119.600 -0.486 0.000 2.132 252 M HA -0.034 4.429 4.480 -0.028 0.000 0.263 252 M C 2.489 178.638 176.300 -0.253 0.000 1.065 252 M CA 1.448 56.479 55.300 -0.450 0.000 1.122 252 M CB -1.626 30.556 32.600 -0.696 0.000 1.365 252 M HN 0.460 nan 8.290 nan 0.000 0.411 253 A N -1.104 121.566 122.820 -0.250 0.000 1.940 253 A HA -0.226 4.077 4.320 -0.028 0.000 0.219 253 A C 2.106 179.654 177.584 -0.059 0.000 1.176 253 A CA 2.031 53.959 52.037 -0.180 0.000 0.631 253 A CB -1.178 17.668 19.000 -0.256 0.000 0.814 253 A HN 0.636 nan 8.150 nan 0.000 0.446 254 H N -0.982 118.007 119.070 -0.135 0.000 2.333 254 H HA 0.064 4.605 4.556 -0.025 0.000 0.302 254 H C 2.382 177.721 175.328 0.018 0.000 1.075 254 H CA 0.940 56.969 56.048 -0.032 0.000 1.348 254 H CB -0.001 29.765 29.762 0.007 0.000 1.393 254 H HN 0.474 nan 8.280 nan 0.000 0.509 255 A N 1.077 123.973 122.820 0.127 0.000 1.908 255 A HA -0.202 4.102 4.320 -0.028 0.000 0.218 255 A C 2.546 180.233 177.584 0.171 0.000 1.181 255 A CA 1.593 53.722 52.037 0.153 0.000 0.627 255 A CB -1.208 17.761 19.000 -0.052 0.000 0.818 255 A HN 0.610 nan 8.150 nan 0.000 0.445 256 A N -0.327 122.521 122.820 0.046 0.000 1.892 256 A HA -0.126 4.178 4.320 -0.028 0.000 0.218 256 A C 2.227 179.862 177.584 0.085 0.000 1.188 256 A CA 1.648 53.706 52.037 0.035 0.000 0.631 256 A CB -0.609 18.375 19.000 -0.026 0.000 0.822 256 A HN 0.487 nan 8.150 nan 0.000 0.447 257 L N -0.646 120.633 121.223 0.094 0.000 2.005 257 L HA -0.157 4.167 4.340 -0.028 0.000 0.207 257 L C 2.608 179.558 176.870 0.133 0.000 1.072 257 L CA 1.543 56.441 54.840 0.095 0.000 0.744 257 L CB -0.554 41.555 42.059 0.084 0.000 0.895 257 L HN 0.289 nan 8.230 nan 0.000 0.433 258 V N -1.395 118.627 119.914 0.181 0.000 2.427 258 V HA -0.297 3.806 4.120 -0.028 0.000 0.248 258 V C 1.968 178.109 176.094 0.077 0.000 1.051 258 V CA 1.642 64.010 62.300 0.113 0.000 1.048 258 V CB -0.662 31.162 31.823 0.001 0.000 0.666 258 V HN 0.363 nan 8.190 nan 0.000 0.456 259 Y N -0.450 119.919 120.300 0.115 0.000 2.523 259 Y HA 0.062 4.595 4.550 -0.029 0.000 0.279 259 Y C 2.483 178.460 175.900 0.128 0.000 1.139 259 Y CA 0.458 58.650 58.100 0.154 0.000 1.296 259 Y CB -0.259 38.226 38.460 0.043 0.000 1.045 259 Y HN 0.063 nan 8.280 nan 0.000 0.538 260 R N 0.724 121.327 120.500 0.172 0.000 2.134 260 R HA -0.203 4.121 4.340 -0.028 0.000 0.248 260 R C -0.933 175.358 176.300 -0.015 0.000 1.143 260 R CA 2.138 58.278 56.100 0.066 0.000 0.957 260 R CB -1.201 29.116 30.300 0.028 0.000 0.867 260 R HN 0.234 nan 8.270 nan 0.000 0.441 261 P HA -0.010 nan 4.420 nan 0.000 0.245 261 P C 0.063 177.073 177.300 -0.483 0.000 1.212 261 P CA 1.070 63.943 63.100 -0.377 0.000 0.774 261 P CB 0.192 31.510 31.700 -0.638 0.000 0.999 262 F N -1.161 118.801 119.950 0.020 0.000 2.581 262 F HA 0.281 4.791 4.527 -0.028 0.000 0.278 262 F C 0.578 176.413 175.800 0.059 0.000 1.000 262 F CA 0.078 58.093 58.000 0.025 0.000 1.230 262 F CB 0.279 39.267 39.000 -0.020 0.000 1.008 262 F HN -0.223 nan 8.300 nan 0.000 0.695 263 D N 0.083 120.653 120.400 0.284 0.000 2.472 263 D HA 0.259 4.883 4.640 -0.028 0.000 0.248 263 D C -2.441 173.927 176.300 0.113 0.000 1.271 263 D CA -1.835 52.267 54.000 0.169 0.000 0.888 263 D CB 1.222 42.123 40.800 0.169 0.000 1.337 263 D HN -0.096 nan 8.370 nan 0.000 0.526 264 P HA -0.019 nan 4.420 nan 0.000 0.220 264 P C 1.210 178.520 177.300 0.017 0.000 1.148 264 P CA 0.923 64.046 63.100 0.038 0.000 0.803 264 P CB 0.382 32.092 31.700 0.016 0.000 0.782 265 A N -0.180 122.645 122.820 0.009 0.000 1.877 265 A HA -0.181 4.123 4.320 -0.028 0.000 0.216 265 A C 2.103 179.671 177.584 -0.026 0.000 1.186 265 A CA 1.493 53.525 52.037 -0.009 0.000 0.620 265 A CB -1.673 17.320 19.000 -0.010 0.000 0.822 265 A HN 0.157 nan 8.150 nan 0.000 0.443 266 L N 0.282 121.483 121.223 -0.037 0.000 2.012 266 L HA -0.135 4.188 4.340 -0.028 0.000 0.210 266 L C 2.644 179.464 176.870 -0.083 0.000 1.073 266 L CA 2.807 57.591 54.840 -0.093 0.000 0.748 266 L CB -1.054 40.908 42.059 -0.162 0.000 0.891 266 L HN 0.418 nan 8.230 nan 0.000 0.431 267 S N -1.686 114.004 115.700 -0.017 0.000 2.353 267 S HA -0.248 4.205 4.470 -0.028 0.000 0.222 267 S C 2.286 176.874 174.600 -0.020 0.000 1.035 267 S CA 1.948 60.155 58.200 0.011 0.000 1.025 267 S CB -0.785 62.456 63.200 0.068 0.000 0.902 267 S HN 0.648 nan 8.310 nan 0.000 0.440 268 S N -0.229 115.462 115.700 -0.015 0.000 2.356 268 S HA -0.161 4.293 4.470 -0.028 0.000 0.223 268 S C 2.322 176.904 174.600 -0.031 0.000 1.032 268 S CA 1.520 59.709 58.200 -0.018 0.000 1.005 268 S CB -1.225 61.968 63.200 -0.011 0.000 0.867 268 S HN 0.797 nan 8.310 nan 0.000 0.449 269 C N 0.857 120.133 119.300 -0.041 0.000 2.429 269 C HA -0.070 4.373 4.460 -0.028 0.000 0.277 269 C C 2.918 177.868 174.990 -0.067 0.000 1.262 269 C CA 1.048 60.037 59.018 -0.048 0.000 1.733 269 C CB -1.851 25.856 27.740 -0.056 0.000 2.010 269 C HN 0.778 nan 8.230 nan 0.000 0.483 270 C N 1.167 120.405 119.300 -0.104 0.000 2.436 270 C HA -0.015 4.429 4.460 -0.028 0.000 0.277 270 C C 3.199 178.111 174.990 -0.130 0.000 1.241 270 C CA 1.467 60.392 59.018 -0.155 0.000 1.721 270 C CB -1.646 25.982 27.740 -0.188 0.000 2.043 270 C HN 0.775 nan 8.230 nan 0.000 0.472 271 A N 0.478 123.245 122.820 -0.089 0.000 1.915 271 A HA -0.303 4.001 4.320 -0.028 0.000 0.220 271 A C 1.874 179.430 177.584 -0.048 0.000 1.198 271 A CA 2.510 54.505 52.037 -0.069 0.000 0.647 271 A CB -0.746 18.229 19.000 -0.041 0.000 0.825 271 A HN 0.649 nan 8.150 nan 0.000 0.456 272 D N -0.785 119.598 120.400 -0.028 0.000 2.234 272 D HA 0.096 4.720 4.640 -0.028 0.000 0.205 272 D C 2.268 178.579 176.300 0.019 0.000 0.962 272 D CA 1.042 55.043 54.000 0.001 0.000 0.855 272 D CB -0.149 40.654 40.800 0.005 0.000 0.951 272 D HN 0.436 nan 8.370 nan 0.000 0.500 273 A N 1.512 124.339 122.820 0.012 0.000 1.883 273 A HA -0.139 4.165 4.320 -0.028 0.000 0.217 273 A C 2.364 180.026 177.584 0.130 0.000 1.186 273 A CA 2.176 54.267 52.037 0.091 0.000 0.624 273 A CB -0.643 18.410 19.000 0.088 0.000 0.822 273 A HN 0.239 nan 8.150 nan 0.000 0.444 274 A N -0.426 122.382 122.820 -0.020 0.000 1.883 274 A HA -0.192 4.112 4.320 -0.028 0.000 0.217 274 A C 2.269 179.879 177.584 0.043 0.000 1.186 274 A CA 1.664 53.671 52.037 -0.051 0.000 0.624 274 A CB -0.503 18.394 19.000 -0.172 0.000 0.822 274 A HN 0.547 nan 8.150 nan 0.000 0.444 275 R N -0.900 119.626 120.500 0.044 0.000 2.081 275 R HA -0.080 4.243 4.340 -0.028 0.000 0.235 275 R C 2.506 178.901 176.300 0.159 0.000 1.131 275 R CA 1.525 57.689 56.100 0.106 0.000 0.960 275 R CB -0.267 30.085 30.300 0.087 0.000 0.856 275 R HN 0.495 nan 8.270 nan 0.000 0.436 276 R N 0.023 120.595 120.500 0.119 0.000 2.092 276 R HA -0.054 4.270 4.340 -0.028 0.000 0.231 276 R C 2.328 178.708 176.300 0.133 0.000 1.119 276 R CA 1.211 57.379 56.100 0.114 0.000 0.970 276 R CB -0.317 30.023 30.300 0.066 0.000 0.864 276 R HN 0.194 nan 8.270 nan 0.000 0.440 277 A N 0.515 123.407 122.820 0.121 0.000 1.883 277 A HA -0.238 4.065 4.320 -0.028 0.000 0.217 277 A C 1.964 179.648 177.584 0.167 0.000 1.186 277 A CA 1.294 53.385 52.037 0.090 0.000 0.624 277 A CB -0.839 18.232 19.000 0.119 0.000 0.822 277 A HN 0.402 nan 8.150 nan 0.000 0.444 278 Y N 0.401 120.748 120.300 0.079 0.000 2.274 278 Y HA -0.114 4.421 4.550 -0.026 0.000 0.290 278 Y C 2.698 178.688 175.900 0.149 0.000 1.145 278 Y CA 0.974 59.137 58.100 0.105 0.000 1.203 278 Y CB -0.329 38.201 38.460 0.117 0.000 0.984 278 Y HN 0.355 nan 8.280 nan 0.000 0.533 279 A N -0.489 122.494 122.820 0.272 0.000 1.865 279 A HA -0.294 4.010 4.320 -0.028 0.000 0.217 279 A C 2.054 179.726 177.584 0.147 0.000 1.191 279 A CA 1.795 53.946 52.037 0.189 0.000 0.623 279 A CB -1.638 17.462 19.000 0.166 0.000 0.826 279 A HN 0.780 nan 8.150 nan 0.000 0.444 280 W N 0.729 122.028 121.300 -0.002 0.000 2.335 280 W HA -0.205 4.438 4.660 -0.029 0.000 0.311 280 W C 1.906 178.431 176.519 0.009 0.000 1.213 280 W CA 2.153 59.494 57.345 -0.007 0.000 1.274 280 W CB -0.314 29.041 29.460 -0.176 0.000 1.148 280 W HN 0.278 nan 8.180 nan 0.000 0.498 281 L N 0.104 121.399 121.223 0.120 0.000 2.079 281 L HA -0.165 4.158 4.340 -0.028 0.000 0.210 281 L C 2.603 179.397 176.870 -0.127 0.000 1.081 281 L CA 1.494 56.254 54.840 -0.133 0.000 0.752 281 L CB -1.674 40.131 42.059 -0.424 0.000 0.896 281 L HN 0.257 nan 8.230 nan 0.000 0.433 282 G N -0.434 108.273 108.800 -0.155 0.000 2.408 282 G HA2 -0.137 3.806 3.960 -0.028 0.000 0.217 282 G HA3 -0.137 3.806 3.960 -0.028 0.000 0.217 282 G C 1.527 176.358 174.900 -0.116 0.000 1.150 282 G CA 0.639 45.681 45.100 -0.096 0.000 0.776 282 G HN 0.464 nan 8.290 nan 0.000 0.542 283 A N -0.549 122.163 122.820 -0.180 0.000 2.278 283 A HA 0.459 4.762 4.320 -0.028 0.000 0.212 283 A C 0.304 177.495 177.584 -0.655 0.000 1.213 283 A CA 0.032 51.860 52.037 -0.348 0.000 0.840 283 A CB -0.112 18.673 19.000 -0.359 0.000 0.866 283 A HN 0.451 nan 8.150 nan 0.000 0.489 284 H N -1.766 117.043 119.070 -0.434 0.000 2.980 284 H HA 0.490 5.029 4.556 -0.028 0.000 0.367 284 H C -0.882 174.346 175.328 -0.165 0.000 1.206 284 H CA -0.707 55.066 56.048 -0.459 0.000 1.126 284 H CB 0.993 30.082 29.762 -1.120 0.000 1.838 284 H HN 0.280 nan 8.280 nan 0.000 0.552 285 E N 1.058 121.269 120.200 0.017 0.000 2.313 285 E HA 0.216 4.549 4.350 -0.028 0.000 0.272 285 E C -0.346 176.213 176.600 -0.069 0.000 1.038 285 E CA -0.586 55.800 56.400 -0.024 0.000 0.863 285 E CB 0.965 30.649 29.700 -0.028 0.000 1.060 285 E HN 0.388 nan 8.360 nan 0.000 0.402 286 M N 3.327 122.729 119.600 -0.329 0.000 3.070 286 M HA 0.002 4.466 4.480 -0.028 0.000 0.275 286 M C -0.394 175.776 176.300 -0.217 0.000 1.510 286 M CA 0.263 55.182 55.300 -0.635 0.000 1.608 286 M CB -0.039 32.176 32.600 -0.642 0.000 1.266 286 M HN 0.175 nan 8.290 nan 0.000 0.514 287 Q N 4.585 124.362 119.800 -0.039 0.000 2.400 287 Q HA 0.407 4.730 4.340 -0.028 0.000 0.255 287 Q C -2.471 173.574 176.000 0.076 0.000 1.008 287 Q CA -1.967 53.867 55.803 0.051 0.000 0.841 287 Q CB 1.027 29.832 28.738 0.112 0.000 1.220 287 Q HN 0.202 nan 8.270 nan 0.000 0.474 288 P HA -0.035 nan 4.420 nan 0.000 0.266 288 P C -1.045 176.161 177.300 -0.158 0.000 1.193 288 P CA 0.067 63.145 63.100 -0.037 0.000 0.770 288 P CB 0.247 31.901 31.700 -0.075 0.000 0.836 289 F N 3.981 123.735 119.950 -0.327 0.000 2.412 289 F HA 0.281 4.792 4.527 -0.028 0.000 0.348 289 F C 0.310 175.735 175.800 -0.626 0.000 1.102 289 F CA 0.241 57.988 58.000 -0.421 0.000 1.196 289 F CB 0.449 39.064 39.000 -0.641 0.000 1.144 289 F HN 0.328 nan 8.300 nan 0.000 0.541 290 H N 3.525 122.002 119.070 -0.989 0.000 2.717 290 H HA 0.218 4.757 4.556 -0.027 0.000 0.366 290 H C -0.683 174.015 175.328 -1.050 0.000 1.132 290 H CA -1.059 54.572 56.048 -0.696 0.000 1.180 290 H CB 1.350 30.904 29.762 -0.347 0.000 1.678 290 H HN 0.489 nan 8.280 nan 0.000 0.537 291 N N 3.929 122.382 118.700 -0.413 0.000 2.454 291 N HA 0.044 4.768 4.740 -0.028 0.000 0.260 291 N C -2.084 173.244 175.510 -0.303 0.000 1.218 291 N CA -0.727 52.157 53.050 -0.275 0.000 0.904 291 N CB 0.413 38.880 38.487 -0.033 0.000 1.065 291 N HN 0.366 nan 8.380 nan 0.000 0.462 292 P HA 0.156 nan 4.420 nan 0.000 0.276 292 P C -0.767 176.397 177.300 -0.226 0.000 1.252 292 P CA -0.421 62.417 63.100 -0.437 0.000 0.802 292 P CB 0.751 31.819 31.700 -1.054 0.000 1.035 293 D N -0.063 120.301 120.400 -0.060 0.000 2.488 293 D HA 0.262 4.886 4.640 -0.028 0.000 0.238 293 D C 1.587 177.962 176.300 0.125 0.000 1.138 293 D CA 1.607 55.633 54.000 0.044 0.000 0.873 293 D CB 0.134 40.984 40.800 0.083 0.000 1.183 293 D HN 0.728 nan 8.370 nan 0.000 0.458 294 G N 1.732 110.580 108.800 0.081 0.000 2.308 294 G HA2 -0.231 3.713 3.960 -0.028 0.000 0.221 294 G HA3 -0.231 3.713 3.960 -0.028 0.000 0.221 294 G C 0.235 175.173 174.900 0.063 0.000 1.032 294 G CA -0.408 44.754 45.100 0.102 0.000 0.623 294 G HN 0.464 nan 8.290 nan 0.000 0.506 295 I N 1.940 122.526 120.570 0.027 0.000 2.325 295 I HA 0.484 4.637 4.170 -0.028 0.000 0.291 295 I C 1.064 177.159 176.117 -0.036 0.000 1.019 295 I CA -0.319 60.974 61.300 -0.011 0.000 1.302 295 I CB 0.969 38.952 38.000 -0.028 0.000 1.401 295 I HN 0.164 nan 8.210 nan 0.000 0.485 296 L N 5.255 126.427 121.223 -0.086 0.000 3.122 296 L HA 0.123 4.446 4.340 -0.028 0.000 0.274 296 L C 0.817 177.527 176.870 -0.266 0.000 1.222 296 L CA -0.073 54.703 54.840 -0.106 0.000 1.028 296 L CB 0.281 42.298 42.059 -0.069 0.000 1.386 296 L HN 0.637 nan 8.230 nan 0.000 0.578 297 T N -2.243 112.117 114.554 -0.324 0.000 2.824 297 T HA 0.488 4.821 4.350 -0.028 0.000 0.277 297 T C 0.868 175.582 174.700 0.024 0.000 0.975 297 T CA -0.272 61.535 62.100 -0.489 0.000 0.966 297 T CB 1.320 69.987 68.868 -0.335 0.000 1.054 297 T HN 0.133 nan 8.240 nan 0.000 0.533 298 G N -0.329 108.604 108.800 0.222 0.000 2.224 298 G HA2 0.068 4.011 3.960 -0.028 0.000 0.239 298 G HA3 0.068 4.011 3.960 -0.028 0.000 0.239 298 G C 0.507 175.454 174.900 0.078 0.000 1.240 298 G CA -0.196 44.895 45.100 -0.015 0.000 0.896 298 G HN 0.953 nan 8.290 nan 0.000 0.496 299 E N 1.568 121.767 120.200 -0.002 0.000 2.122 299 E HA -0.058 4.276 4.350 -0.028 0.000 0.190 299 E C -0.111 176.679 176.600 0.316 0.000 0.977 299 E CA -0.223 56.321 56.400 0.241 0.000 0.820 299 E CB -0.077 29.741 29.700 0.196 0.000 0.770 299 E HN 0.577 nan 8.360 nan 0.000 0.462 300 Y N -0.516 119.764 120.300 -0.034 0.000 2.983 300 Y HA -0.216 4.318 4.550 -0.027 0.000 0.185 300 Y C 0.293 176.379 175.900 0.309 0.000 1.476 300 Y CA 0.447 58.431 58.100 -0.193 0.000 0.866 300 Y CB -1.591 36.514 38.460 -0.592 0.000 1.331 300 Y HN 0.137 nan 8.280 nan 0.000 0.403 301 G N 0.325 109.408 108.800 0.472 0.000 2.511 301 G HA2 0.578 4.522 3.960 -0.028 0.000 0.316 301 G HA3 0.578 4.522 3.960 -0.028 0.000 0.316 301 G C -1.119 173.989 174.900 0.347 0.000 1.210 301 G CA -0.062 45.250 45.100 0.353 0.000 0.969 301 G HN 0.279 nan 8.290 nan 0.000 0.492 302 D N -1.854 118.658 120.400 0.186 0.000 2.633 302 D HA 0.380 5.003 4.640 -0.028 0.000 0.198 302 D C 0.677 177.018 176.300 0.069 0.000 1.273 302 D CA 0.111 54.181 54.000 0.116 0.000 0.830 302 D CB 1.341 42.237 40.800 0.159 0.000 1.771 302 D HN 0.451 nan 8.370 nan 0.000 0.547 303 A N 3.253 126.098 122.820 0.043 0.000 1.929 303 A HA 0.020 4.324 4.320 -0.028 0.000 0.216 303 A C 0.960 178.560 177.584 0.026 0.000 1.176 303 A CA 1.070 53.128 52.037 0.035 0.000 0.628 303 A CB -0.094 18.925 19.000 0.032 0.000 0.816 303 A HN 0.355 nan 8.150 nan 0.000 0.444 304 E N -0.191 120.025 120.200 0.028 0.000 2.081 304 E HA 0.499 4.832 4.350 -0.028 0.000 0.281 304 E C -0.075 176.560 176.600 0.059 0.000 0.986 304 E CA -0.068 56.349 56.400 0.029 0.000 0.796 304 E CB 0.568 30.282 29.700 0.023 0.000 1.085 304 E HN 0.318 nan 8.360 nan 0.000 0.398 305 L N 4.392 125.642 121.223 0.045 0.000 2.808 305 L HA 0.324 4.647 4.340 -0.028 0.000 0.246 305 L C 1.674 178.623 176.870 0.131 0.000 1.153 305 L CA -0.112 54.783 54.840 0.093 0.000 0.956 305 L CB 0.178 42.216 42.059 -0.034 0.000 1.270 305 L HN 0.430 nan 8.230 nan 0.000 0.528 306 R N 0.492 121.050 120.500 0.097 0.000 2.127 306 R HA -0.086 4.237 4.340 -0.028 0.000 0.217 306 R C 1.723 178.119 176.300 0.159 0.000 1.074 306 R CA 1.371 57.543 56.100 0.120 0.000 0.991 306 R CB -0.085 30.264 30.300 0.081 0.000 0.895 306 R HN 0.455 nan 8.270 nan 0.000 0.450 307 D N 0.764 121.255 120.400 0.151 0.000 2.178 307 D HA -0.175 4.448 4.640 -0.028 0.000 0.202 307 D C 1.067 177.509 176.300 0.237 0.000 0.974 307 D CA 1.016 55.111 54.000 0.159 0.000 0.841 307 D CB -0.033 40.839 40.800 0.120 0.000 0.953 307 D HN 0.146 nan 8.370 nan 0.000 0.478 308 E N 0.438 120.802 120.200 0.274 0.000 2.072 308 E HA -0.059 4.275 4.350 -0.028 0.000 0.191 308 E C 2.003 178.785 176.600 0.302 0.000 0.985 308 E CA 0.196 56.800 56.400 0.340 0.000 0.801 308 E CB -0.393 29.505 29.700 0.329 0.000 0.750 308 E HN 0.159 nan 8.360 nan 0.000 0.452 309 L N 0.725 122.131 121.223 0.305 0.000 2.042 309 L HA -0.127 4.196 4.340 -0.028 0.000 0.210 309 L C 2.025 179.048 176.870 0.256 0.000 1.076 309 L CA 1.486 56.491 54.840 0.275 0.000 0.749 309 L CB -0.623 41.610 42.059 0.289 0.000 0.893 309 L HN 0.247 nan 8.230 nan 0.000 0.432 310 L N -1.639 119.720 121.223 0.226 0.000 1.997 310 L HA -0.310 4.014 4.340 -0.028 0.000 0.216 310 L C 2.433 179.443 176.870 0.234 0.000 1.074 310 L CA 2.362 57.312 54.840 0.183 0.000 0.763 310 L CB -0.581 41.552 42.059 0.123 0.000 0.890 310 L HN 0.616 nan 8.230 nan 0.000 0.434 311 W N 0.398 121.726 121.300 0.046 0.000 2.418 311 W HA -0.094 4.548 4.660 -0.029 0.000 0.292 311 W C 2.371 178.893 176.519 0.005 0.000 1.213 311 W CA 1.434 58.792 57.345 0.023 0.000 1.283 311 W CB -0.607 28.882 29.460 0.048 0.000 1.119 311 W HN 0.244 nan 8.180 nan 0.000 0.542 312 A N 0.137 122.951 122.820 -0.011 0.000 1.877 312 A HA -0.201 4.102 4.320 -0.028 0.000 0.216 312 A C 2.156 179.676 177.584 -0.108 0.000 1.186 312 A CA 2.555 54.520 52.037 -0.121 0.000 0.620 312 A CB -1.184 17.858 19.000 0.070 0.000 0.822 312 A HN 0.229 nan 8.150 nan 0.000 0.443 313 S N -0.627 115.117 115.700 0.073 0.000 2.359 313 S HA -0.224 4.229 4.470 -0.028 0.000 0.224 313 S C 1.939 176.422 174.600 -0.196 0.000 1.035 313 S CA 1.523 59.682 58.200 -0.068 0.000 1.018 313 S CB -0.893 62.439 63.200 0.220 0.000 0.876 313 S HN 0.692 nan 8.310 nan 0.000 0.448 314 C N 1.714 121.000 119.300 -0.023 0.000 2.435 314 C HA 0.117 4.560 4.460 -0.028 0.000 0.279 314 C C 3.078 178.018 174.990 -0.083 0.000 1.321 314 C CA 0.351 59.379 59.018 0.016 0.000 1.752 314 C CB -1.590 26.221 27.740 0.119 0.000 1.959 314 C HN 0.686 nan 8.230 nan 0.000 0.500 315 A N 0.127 122.861 122.820 -0.143 0.000 1.929 315 A HA -0.028 4.276 4.320 -0.028 0.000 0.216 315 A C 2.080 179.448 177.584 -0.359 0.000 1.176 315 A CA 1.213 53.119 52.037 -0.220 0.000 0.628 315 A CB -0.488 18.339 19.000 -0.289 0.000 0.816 315 A HN 0.594 nan 8.150 nan 0.000 0.444 316 L N -0.937 119.937 121.223 -0.582 0.000 2.156 316 L HA -0.118 4.206 4.340 -0.028 0.000 0.208 316 L C 2.482 178.788 176.870 -0.940 0.000 1.095 316 L CA 0.754 55.062 54.840 -0.887 0.000 0.770 316 L CB -0.448 40.709 42.059 -1.504 0.000 0.914 316 L HN 0.466 nan 8.230 nan 0.000 0.439 317 L N 0.424 121.192 121.223 -0.760 0.000 1.990 317 L HA -0.263 4.060 4.340 -0.028 0.000 0.213 317 L C 2.698 179.464 176.870 -0.174 0.000 1.072 317 L CA 1.948 56.604 54.840 -0.307 0.000 0.755 317 L CB -0.514 41.533 42.059 -0.019 0.000 0.889 317 L HN 0.130 nan 8.230 nan 0.000 0.432 318 R N -1.267 119.132 120.500 -0.169 0.000 2.148 318 R HA -0.115 4.209 4.340 -0.028 0.000 0.223 318 R C 2.312 178.541 176.300 -0.118 0.000 1.088 318 R CA 1.366 57.396 56.100 -0.117 0.000 0.985 318 R CB -0.247 29.985 30.300 -0.114 0.000 0.880 318 R HN 0.511 nan 8.270 nan 0.000 0.451 319 M N 0.154 119.653 119.600 -0.169 0.000 2.099 319 M HA -0.143 4.321 4.480 -0.028 0.000 0.262 319 M C 1.953 178.205 176.300 -0.080 0.000 1.067 319 M CA 2.316 57.539 55.300 -0.128 0.000 1.124 319 M CB -0.053 32.444 32.600 -0.170 0.000 1.353 319 M HN 0.307 nan 8.290 nan 0.000 0.410 320 T N -3.046 111.459 114.554 -0.081 0.000 2.809 320 T HA 0.178 4.512 4.350 -0.028 0.000 0.260 320 T C 1.561 176.282 174.700 0.035 0.000 1.039 320 T CA 1.216 63.327 62.100 0.018 0.000 1.141 320 T CB -0.522 68.430 68.868 0.141 0.000 0.869 320 T HN 0.661 nan 8.240 nan 0.000 0.437 321 G N 1.458 110.279 108.800 0.036 0.000 2.157 321 G HA2 -0.182 3.761 3.960 -0.028 0.000 0.239 321 G HA3 -0.182 3.761 3.960 -0.028 0.000 0.239 321 G C -0.272 174.675 174.900 0.079 0.000 0.982 321 G CA 0.104 45.226 45.100 0.037 0.000 0.650 321 G HN 0.839 nan 8.290 nan 0.000 0.527 322 D N 0.909 121.406 120.400 0.161 0.000 2.313 322 D HA 0.529 5.153 4.640 -0.028 0.000 0.239 322 D C 1.814 178.222 176.300 0.181 0.000 1.142 322 D CA 0.413 54.513 54.000 0.166 0.000 0.847 322 D CB 0.999 41.918 40.800 0.198 0.000 1.082 322 D HN 0.273 nan 8.370 nan 0.000 0.480 323 S N 3.377 119.133 115.700 0.094 0.000 2.440 323 S HA -0.225 4.228 4.470 -0.028 0.000 0.238 323 S C 2.116 176.752 174.600 0.061 0.000 1.010 323 S CA 0.799 59.050 58.200 0.085 0.000 0.972 323 S CB -0.446 62.783 63.200 0.048 0.000 0.774 323 S HN 0.531 nan 8.310 nan 0.000 0.501 324 A N 1.626 124.435 122.820 -0.018 0.000 1.909 324 A HA -0.211 4.092 4.320 -0.028 0.000 0.221 324 A C 1.877 179.382 177.584 -0.133 0.000 1.223 324 A CA 1.914 53.863 52.037 -0.148 0.000 0.658 324 A CB -1.785 17.017 19.000 -0.330 0.000 0.831 324 A HN 0.817 nan 8.150 nan 0.000 0.462 325 W N -0.544 120.755 121.300 -0.002 0.000 2.387 325 W HA 0.011 4.678 4.660 0.011 0.000 0.272 325 W C 2.670 179.213 176.519 0.040 0.000 1.224 325 W CA 1.019 58.362 57.345 -0.004 0.000 1.210 325 W CB -0.202 29.237 29.460 -0.034 0.000 1.125 325 W HN 0.467 nan 8.180 nan 0.000 0.572 326 A N 0.524 123.504 122.820 0.266 0.000 1.948 326 A HA -0.238 4.066 4.320 -0.028 0.000 0.220 326 A C 2.011 179.686 177.584 0.152 0.000 1.177 326 A CA 1.573 53.748 52.037 0.230 0.000 0.636 326 A CB -0.689 18.435 19.000 0.206 0.000 0.815 326 A HN 0.299 nan 8.150 nan 0.000 0.449 327 R N -1.166 119.396 120.500 0.104 0.000 2.120 327 R HA -0.082 4.241 4.340 -0.028 0.000 0.234 327 R C 2.000 178.351 176.300 0.085 0.000 1.123 327 R CA 1.514 57.655 56.100 0.067 0.000 0.975 327 R CB -0.354 29.959 30.300 0.023 0.000 0.866 327 R HN 0.446 nan 8.270 nan 0.000 0.446 328 V N -0.581 119.413 119.914 0.133 0.000 2.725 328 V HA -0.143 3.961 4.120 -0.028 0.000 0.247 328 V C 1.925 178.112 176.094 0.155 0.000 1.058 328 V CA 1.172 63.573 62.300 0.170 0.000 1.080 328 V CB 0.152 32.142 31.823 0.278 0.000 0.713 328 V HN 0.422 nan 8.190 nan 0.000 0.465 329 C N 0.268 119.653 119.300 0.141 0.000 2.466 329 C HA -0.036 4.408 4.460 -0.028 0.000 0.278 329 C C 2.515 177.475 174.990 -0.050 0.000 1.288 329 C CA 1.107 60.157 59.018 0.053 0.000 1.722 329 C CB -0.932 26.825 27.740 0.029 0.000 2.017 329 C HN 0.653 nan 8.230 nan 0.000 0.488 330 E N 0.958 121.128 120.200 -0.050 0.000 2.152 330 E HA -0.106 4.227 4.350 -0.028 0.000 0.192 330 E C -0.593 175.996 176.600 -0.018 0.000 0.983 330 E CA 1.175 57.520 56.400 -0.092 0.000 0.818 330 E CB -0.794 28.885 29.700 -0.035 0.000 0.758 330 E HN 0.540 nan 8.360 nan 0.000 0.467 331 P HA -0.183 nan 4.420 nan 0.000 0.214 331 P C 1.251 178.578 177.300 0.045 0.000 1.163 331 P CA 1.147 64.268 63.100 0.036 0.000 0.883 331 P CB 0.015 31.744 31.700 0.047 0.000 0.788 332 L N -1.756 119.498 121.223 0.051 0.000 2.131 332 L HA -0.153 4.171 4.340 -0.028 0.000 0.210 332 L C 2.373 179.289 176.870 0.076 0.000 1.092 332 L CA 1.135 56.017 54.840 0.070 0.000 0.759 332 L CB -0.903 41.207 42.059 0.085 0.000 0.903 332 L HN -0.038 nan 8.230 nan 0.000 0.435 333 L N -0.434 120.803 121.223 0.024 0.000 2.201 333 L HA -0.192 4.132 4.340 -0.028 0.000 0.212 333 L C 2.096 179.094 176.870 0.213 0.000 1.105 333 L CA 0.914 55.798 54.840 0.074 0.000 0.775 333 L CB -0.426 41.553 42.059 -0.133 0.000 0.913 333 L HN 0.212 nan 8.230 nan 0.000 0.440 334 D N -0.212 120.254 120.400 0.110 0.000 2.277 334 D HA -0.034 4.589 4.640 -0.028 0.000 0.208 334 D C 1.020 177.365 176.300 0.075 0.000 0.962 334 D CA 0.296 54.348 54.000 0.086 0.000 0.865 334 D CB 0.116 40.945 40.800 0.047 0.000 0.939 334 D HN 0.092 nan 8.370 nan 0.000 0.510 335 L N 0.805 122.087 121.223 0.099 0.000 2.482 335 L HA 0.017 4.340 4.340 -0.028 0.000 0.273 335 L C 0.733 177.635 176.870 0.053 0.000 1.228 335 L CA -0.038 54.847 54.840 0.075 0.000 0.827 335 L CB 0.377 42.491 42.059 0.091 0.000 1.099 335 L HN -0.122 nan 8.230 nan 0.000 0.494 336 D N 2.411 122.813 120.400 0.004 0.000 2.856 336 D HA 0.200 4.823 4.640 -0.028 0.000 0.242 336 D C 0.242 176.533 176.300 -0.015 0.000 1.226 336 D CA 0.216 54.187 54.000 -0.050 0.000 0.855 336 D CB -0.257 40.508 40.800 -0.058 0.000 1.065 336 D HN 0.240 nan 8.370 nan 0.000 0.462 337 L N 1.368 122.635 121.223 0.074 0.000 2.452 337 L HA 0.200 4.523 4.340 -0.028 0.000 0.267 337 L C -1.826 175.122 176.870 0.129 0.000 1.188 337 L CA -1.528 53.386 54.840 0.123 0.000 0.821 337 L CB 0.163 42.345 42.059 0.204 0.000 1.102 337 L HN -0.108 nan 8.230 nan 0.000 0.470 338 P HA 0.010 nan 4.420 nan 0.000 0.279 338 P C -1.147 176.300 177.300 0.245 0.000 1.239 338 P CA -0.331 62.814 63.100 0.075 0.000 0.789 338 P CB 0.434 32.137 31.700 0.004 0.000 0.933 339 W N 2.948 124.181 121.300 -0.111 0.000 1.714 339 W HA 0.309 4.952 4.660 -0.028 0.000 0.363 339 W C 0.292 176.699 176.519 -0.187 0.000 0.724 339 W CA -0.220 57.044 57.345 -0.136 0.000 1.804 339 W CB -0.533 28.852 29.460 -0.125 0.000 1.900 339 W HN 0.375 nan 8.180 nan 0.000 0.296 340 E N 0.201 120.386 120.200 -0.025 0.000 2.264 340 E HA 0.455 4.788 4.350 -0.028 0.000 0.260 340 E C 0.039 176.472 176.600 -0.279 0.000 0.961 340 E CA -0.969 55.347 56.400 -0.140 0.000 0.834 340 E CB 1.749 31.386 29.700 -0.106 0.000 1.230 340 E HN -0.009 nan 8.360 nan 0.000 0.412 341 L N 1.839 122.867 121.223 -0.324 0.000 3.073 341 L HA 0.365 4.688 4.340 -0.028 0.000 0.242 341 L C 0.408 177.260 176.870 -0.030 0.000 1.317 341 L CA -0.230 54.305 54.840 -0.508 0.000 1.081 341 L CB -0.347 41.357 42.059 -0.592 0.000 1.456 341 L HN 0.763 nan 8.230 nan 0.000 0.525 342 G N -0.105 108.709 108.800 0.025 0.000 2.685 342 G HA2 -0.246 3.697 3.960 -0.028 0.000 0.387 342 G HA3 -0.246 3.697 3.960 -0.028 0.000 0.387 342 G C 0.121 175.040 174.900 0.032 0.000 1.324 342 G CA -0.053 45.116 45.100 0.115 0.000 0.878 342 G HN 0.431 nan 8.290 nan 0.000 0.527 343 W N -1.107 120.213 121.300 0.034 0.000 2.584 343 W HA 0.376 5.019 4.660 -0.028 0.000 0.264 343 W C 1.775 178.298 176.519 0.005 0.000 1.264 343 W CA 1.774 59.087 57.345 -0.053 0.000 1.306 343 W CB -1.029 28.241 29.460 -0.316 0.000 1.110 343 W HN 1.114 nan 8.180 nan 0.000 0.606 344 A N 0.893 123.396 122.820 -0.529 0.000 1.911 344 A HA 0.005 4.308 4.320 -0.028 0.000 0.212 344 A C 0.679 178.177 177.584 -0.142 0.000 1.189 344 A CA 0.733 52.521 52.037 -0.415 0.000 0.639 344 A CB -0.601 17.876 19.000 -0.873 0.000 0.839 344 A HN 0.083 nan 8.150 nan 0.000 0.449 345 D N 0.935 121.235 120.400 -0.166 0.000 2.454 345 D HA 0.351 4.974 4.640 -0.028 0.000 0.225 345 D C 0.371 176.644 176.300 -0.045 0.000 1.081 345 D CA 0.076 54.032 54.000 -0.075 0.000 0.864 345 D CB 1.625 42.369 40.800 -0.095 0.000 1.040 345 D HN 0.235 nan 8.370 nan 0.000 0.517 346 V N -0.540 119.377 119.914 0.005 0.000 3.477 346 V HA 0.261 4.364 4.120 -0.028 0.000 0.297 346 V C 1.897 177.921 176.094 -0.116 0.000 1.433 346 V CA 0.246 62.539 62.300 -0.012 0.000 1.052 346 V CB 0.529 32.402 31.823 0.084 0.000 0.895 346 V HN 0.393 nan 8.190 nan 0.000 0.438 347 A N 1.474 124.243 122.820 -0.085 0.000 1.927 347 A HA -0.215 4.089 4.320 -0.028 0.000 0.220 347 A C 2.023 179.365 177.584 -0.404 0.000 1.185 347 A CA 2.488 54.419 52.037 -0.176 0.000 0.639 347 A CB -0.576 18.367 19.000 -0.094 0.000 0.820 347 A HN 0.598 nan 8.150 nan 0.000 0.451 348 L N -1.527 119.447 121.223 -0.415 0.000 2.191 348 L HA -0.106 4.218 4.340 -0.028 0.000 0.212 348 L C 2.140 178.689 176.870 -0.536 0.000 1.103 348 L CA 1.625 56.163 54.840 -0.502 0.000 0.769 348 L CB -0.896 40.924 42.059 -0.399 0.000 0.908 348 L HN 0.489 nan 8.230 nan 0.000 0.438 349 Y N -0.492 119.470 120.300 -0.563 0.000 2.224 349 Y HA -0.098 4.435 4.550 -0.029 0.000 0.289 349 Y C 2.517 178.174 175.900 -0.405 0.000 1.146 349 Y CA 1.453 59.152 58.100 -0.668 0.000 1.182 349 Y CB -1.155 36.397 38.460 -1.513 0.000 0.983 349 Y HN 0.231 nan 8.280 nan 0.000 0.524 350 G N -0.608 108.084 108.800 -0.179 0.000 2.422 350 G HA2 -0.204 3.739 3.960 -0.028 0.000 0.218 350 G HA3 -0.204 3.739 3.960 -0.028 0.000 0.218 350 G C 1.821 176.661 174.900 -0.100 0.000 1.146 350 G CA 1.221 46.340 45.100 0.032 0.000 0.769 350 G HN 0.279 nan 8.290 nan 0.000 0.547 351 V N 1.240 120.955 119.914 -0.332 0.000 2.332 351 V HA -0.214 3.890 4.120 -0.028 0.000 0.248 351 V C 2.968 178.992 176.094 -0.118 0.000 1.055 351 V CA 1.869 63.941 62.300 -0.380 0.000 1.038 351 V CB -0.337 31.036 31.823 -0.750 0.000 0.651 351 V HN 0.282 nan 8.190 nan 0.000 0.450 352 M N -0.856 118.676 119.600 -0.113 0.000 2.123 352 M HA -0.099 4.365 4.480 -0.028 0.000 0.263 352 M C 2.045 178.355 176.300 0.017 0.000 1.069 352 M CA 1.478 56.762 55.300 -0.027 0.000 1.133 352 M CB -1.435 31.150 32.600 -0.025 0.000 1.356 352 M HN 0.317 nan 8.290 nan 0.000 0.415 353 D N -0.426 119.994 120.400 0.034 0.000 2.116 353 D HA -0.211 4.412 4.640 -0.028 0.000 0.193 353 D C 1.926 178.250 176.300 0.040 0.000 0.998 353 D CA 1.319 55.334 54.000 0.024 0.000 0.836 353 D CB -0.359 40.483 40.800 0.070 0.000 0.951 353 D HN 0.402 nan 8.370 nan 0.000 0.449 354 Y N 0.899 121.170 120.300 -0.049 0.000 2.114 354 Y HA -0.182 4.346 4.550 -0.036 0.000 0.284 354 Y C 2.072 177.956 175.900 -0.028 0.000 1.143 354 Y CA 1.043 59.119 58.100 -0.039 0.000 1.135 354 Y CB -0.416 38.015 38.460 -0.047 0.000 0.980 354 Y HN -0.117 nan 8.280 nan 0.000 0.499 355 L N 0.626 121.839 121.223 -0.017 0.000 2.265 355 L HA -0.141 4.182 4.340 -0.028 0.000 0.215 355 L C 1.810 178.618 176.870 -0.104 0.000 1.117 355 L CA 1.651 56.441 54.840 -0.083 0.000 0.782 355 L CB -0.646 41.431 42.059 0.029 0.000 0.914 355 L HN 0.236 nan 8.230 nan 0.000 0.441 356 R N -2.117 118.337 120.500 -0.077 0.000 2.432 356 R HA 0.172 4.496 4.340 -0.028 0.000 0.260 356 R C 0.268 176.516 176.300 -0.087 0.000 0.935 356 R CA -0.086 55.977 56.100 -0.061 0.000 1.080 356 R CB 0.175 30.466 30.300 -0.015 0.000 1.155 356 R HN 0.135 nan 8.270 nan 0.000 0.531 357 T N 3.032 117.506 114.554 -0.134 0.000 2.907 357 T HA 0.189 4.523 4.350 -0.028 0.000 0.298 357 T C -2.353 172.265 174.700 -0.136 0.000 1.017 357 T CA -1.235 60.787 62.100 -0.130 0.000 1.118 357 T CB 1.211 69.988 68.868 -0.151 0.000 0.948 357 T HN -0.091 nan 8.240 nan 0.000 0.531 358 P HA 0.196 nan 4.420 nan 0.000 0.264 358 P C 0.645 177.892 177.300 -0.088 0.000 1.193 358 P CA -0.182 62.872 63.100 -0.075 0.000 0.763 358 P CB 0.547 32.219 31.700 -0.047 0.000 0.810 359 R N 3.058 123.508 120.500 -0.083 0.000 2.133 359 R HA -0.234 4.090 4.340 -0.028 0.000 0.247 359 R C 2.093 178.364 176.300 -0.047 0.000 1.151 359 R CA 1.967 58.021 56.100 -0.077 0.000 0.971 359 R CB -0.884 29.386 30.300 -0.050 0.000 0.866 359 R HN 0.552 nan 8.270 nan 0.000 0.447 360 A N 0.815 123.616 122.820 -0.031 0.000 1.997 360 A HA -0.195 4.109 4.320 -0.028 0.000 0.221 360 A C 2.190 179.771 177.584 -0.005 0.000 1.172 360 A CA 1.936 53.965 52.037 -0.014 0.000 0.645 360 A CB -0.550 18.444 19.000 -0.010 0.000 0.813 360 A HN 0.443 nan 8.150 nan 0.000 0.454 361 A N -1.168 121.645 122.820 -0.012 0.000 2.238 361 A HA 0.462 4.766 4.320 -0.028 0.000 0.210 361 A C 0.854 178.457 177.584 0.032 0.000 1.179 361 A CA 0.904 52.949 52.037 0.014 0.000 0.827 361 A CB -0.540 18.471 19.000 0.018 0.000 0.856 361 A HN 1.289 nan 8.150 nan 0.000 0.488 362 V N -2.903 117.013 119.914 0.003 0.000 3.078 362 V HA 0.674 4.778 4.120 -0.028 0.000 0.311 362 V C -0.372 175.762 176.094 0.066 0.000 1.138 362 V CA -0.502 61.830 62.300 0.053 0.000 1.007 362 V CB 1.444 33.211 31.823 -0.094 0.000 1.045 362 V HN 0.294 nan 8.190 nan 0.000 0.432 363 S N 1.413 117.196 115.700 0.137 0.000 2.516 363 S HA 0.156 4.610 4.470 -0.028 0.000 0.282 363 S C 0.385 175.046 174.600 0.101 0.000 1.286 363 S CA 0.055 58.319 58.200 0.107 0.000 1.066 363 S CB 0.613 63.881 63.200 0.112 0.000 0.884 363 S HN 0.872 nan 8.310 nan 0.000 0.491 364 D N 2.022 122.458 120.400 0.059 0.000 2.149 364 D HA -0.130 4.493 4.640 -0.028 0.000 0.198 364 D C 1.436 177.778 176.300 0.070 0.000 0.990 364 D CA 1.438 55.467 54.000 0.049 0.000 0.839 364 D CB -0.199 40.620 40.800 0.031 0.000 0.948 364 D HN 0.710 nan 8.370 nan 0.000 0.460 365 D N -0.348 120.094 120.400 0.071 0.000 2.092 365 D HA -0.133 4.490 4.640 -0.028 0.000 0.193 365 D C 2.014 178.372 176.300 0.097 0.000 0.994 365 D CA 0.826 54.869 54.000 0.072 0.000 0.828 365 D CB -0.126 40.710 40.800 0.060 0.000 0.963 365 D HN 0.002 nan 8.370 nan 0.000 0.450 366 V N 0.301 120.291 119.914 0.128 0.000 2.295 366 V HA -0.219 3.885 4.120 -0.028 0.000 0.246 366 V C 2.652 178.882 176.094 0.225 0.000 1.049 366 V CA 1.874 64.269 62.300 0.160 0.000 1.024 366 V CB -0.520 31.411 31.823 0.180 0.000 0.648 366 V HN 0.198 nan 8.190 nan 0.000 0.447 367 R N 0.183 120.846 120.500 0.273 0.000 2.112 367 R HA -0.254 4.069 4.340 -0.028 0.000 0.242 367 R C 2.153 178.560 176.300 0.180 0.000 1.137 367 R CA 2.591 58.848 56.100 0.261 0.000 0.944 367 R CB -0.438 29.925 30.300 0.104 0.000 0.857 367 R HN 0.686 nan 8.270 nan 0.000 0.435 368 N N -0.361 118.413 118.700 0.124 0.000 2.188 368 N HA -0.126 4.597 4.740 -0.028 0.000 0.184 368 N C 1.548 177.118 175.510 0.101 0.000 1.018 368 N CA 0.898 54.005 53.050 0.095 0.000 0.858 368 N CB 0.061 38.588 38.487 0.067 0.000 0.989 368 N HN 0.206 nan 8.380 nan 0.000 0.426 369 K N 0.708 121.172 120.400 0.108 0.000 2.026 369 K HA -0.076 4.228 4.320 -0.028 0.000 0.208 369 K C 2.027 178.716 176.600 0.148 0.000 1.048 369 K CA 0.892 57.238 56.287 0.099 0.000 0.929 369 K CB -0.247 32.304 32.500 0.085 0.000 0.713 369 K HN -0.003 nan 8.250 nan 0.000 0.439 370 V N 2.008 122.057 119.914 0.225 0.000 2.252 370 V HA -0.312 3.791 4.120 -0.028 0.000 0.249 370 V C 2.133 178.417 176.094 0.316 0.000 1.056 370 V CA 1.859 64.374 62.300 0.359 0.000 1.022 370 V CB -0.403 31.611 31.823 0.319 0.000 0.641 370 V HN 0.320 nan 8.190 nan 0.000 0.445 371 K N -0.236 120.288 120.400 0.207 0.000 2.152 371 K HA -0.160 4.144 4.320 -0.028 0.000 0.206 371 K C 2.387 179.056 176.600 0.116 0.000 1.048 371 K CA 1.705 58.082 56.287 0.150 0.000 0.933 371 K CB -0.271 32.294 32.500 0.108 0.000 0.721 371 K HN 0.418 nan 8.250 nan 0.000 0.447 372 S N 0.440 116.197 115.700 0.095 0.000 2.355 372 S HA -0.117 4.336 4.470 -0.028 0.000 0.222 372 S C 1.876 176.488 174.600 0.020 0.000 1.031 372 S CA 0.899 59.129 58.200 0.049 0.000 0.993 372 S CB -0.141 63.078 63.200 0.032 0.000 0.859 372 S HN 0.297 nan 8.310 nan 0.000 0.453 373 R N 0.628 121.130 120.500 0.003 0.000 2.081 373 R HA -0.094 4.229 4.340 -0.028 0.000 0.235 373 R C 2.330 178.591 176.300 -0.066 0.000 1.131 373 R CA 1.243 57.263 56.100 -0.133 0.000 0.960 373 R CB -0.536 29.526 30.300 -0.396 0.000 0.856 373 R HN 0.317 nan 8.270 nan 0.000 0.436 374 L N 1.234 122.543 121.223 0.144 0.000 2.013 374 L HA -0.197 4.127 4.340 -0.028 0.000 0.212 374 L C 2.135 179.026 176.870 0.034 0.000 1.073 374 L CA 1.655 56.593 54.840 0.164 0.000 0.753 374 L CB -0.757 41.422 42.059 0.200 0.000 0.890 374 L HN 0.282 nan 8.230 nan 0.000 0.432 375 L N -0.528 120.722 121.223 0.044 0.000 2.093 375 L HA -0.134 4.190 4.340 -0.028 0.000 0.208 375 L C 2.649 179.535 176.870 0.027 0.000 1.085 375 L CA 1.539 56.409 54.840 0.050 0.000 0.755 375 L CB -0.618 41.481 42.059 0.066 0.000 0.904 375 L HN 0.235 nan 8.230 nan 0.000 0.435 376 R N -0.423 120.071 120.500 -0.011 0.000 2.096 376 R HA -0.128 4.195 4.340 -0.028 0.000 0.235 376 R C 2.043 178.301 176.300 -0.069 0.000 1.127 376 R CA 1.399 57.479 56.100 -0.034 0.000 0.968 376 R CB -0.371 29.891 30.300 -0.064 0.000 0.861 376 R HN 0.490 nan 8.270 nan 0.000 0.440 377 E N 0.941 121.077 120.200 -0.107 0.000 2.072 377 E HA -0.141 4.192 4.350 -0.028 0.000 0.191 377 E C 2.215 178.693 176.600 -0.203 0.000 0.985 377 E CA 0.893 57.206 56.400 -0.144 0.000 0.801 377 E CB -0.196 29.422 29.700 -0.137 0.000 0.750 377 E HN 0.356 nan 8.360 nan 0.000 0.452 378 L N 1.397 122.453 121.223 -0.279 0.000 2.042 378 L HA -0.211 4.112 4.340 -0.028 0.000 0.210 378 L C 2.131 178.838 176.870 -0.271 0.000 1.076 378 L CA 1.165 55.673 54.840 -0.553 0.000 0.749 378 L CB -0.542 41.137 42.059 -0.634 0.000 0.893 378 L HN 0.002 nan 8.230 nan 0.000 0.432 379 D N 0.386 120.778 120.400 -0.014 0.000 2.104 379 D HA -0.186 4.437 4.640 -0.028 0.000 0.194 379 D C 2.246 178.570 176.300 0.041 0.000 0.994 379 D CA 1.621 55.694 54.000 0.121 0.000 0.830 379 D CB -0.082 40.794 40.800 0.126 0.000 0.959 379 D HN 0.329 nan 8.370 nan 0.000 0.452 380 A N 0.859 123.667 122.820 -0.019 0.000 1.883 380 A HA -0.171 4.132 4.320 -0.028 0.000 0.217 380 A C 2.461 180.036 177.584 -0.014 0.000 1.186 380 A CA 1.207 53.229 52.037 -0.026 0.000 0.624 380 A CB -0.927 18.038 19.000 -0.058 0.000 0.822 380 A HN 0.234 nan 8.150 nan 0.000 0.444 381 L N -0.823 120.379 121.223 -0.035 0.000 2.079 381 L HA -0.217 4.106 4.340 -0.028 0.000 0.210 381 L C 3.088 180.025 176.870 0.113 0.000 1.081 381 L CA 1.086 55.944 54.840 0.031 0.000 0.752 381 L CB -0.627 41.454 42.059 0.037 0.000 0.896 381 L HN 0.451 nan 8.230 nan 0.000 0.433 382 A N 0.151 123.062 122.820 0.151 0.000 1.902 382 A HA -0.178 4.126 4.320 -0.028 0.000 0.217 382 A C 2.581 180.210 177.584 0.075 0.000 1.181 382 A CA 1.751 53.858 52.037 0.116 0.000 0.623 382 A CB -0.755 18.333 19.000 0.146 0.000 0.818 382 A HN 0.394 nan 8.150 nan 0.000 0.443 383 A N -0.360 122.502 122.820 0.070 0.000 1.908 383 A HA -0.200 4.103 4.320 -0.028 0.000 0.218 383 A C 2.283 179.891 177.584 0.041 0.000 1.181 383 A CA 2.015 54.083 52.037 0.051 0.000 0.627 383 A CB -0.611 18.412 19.000 0.039 0.000 0.818 383 A HN 0.558 nan 8.150 nan 0.000 0.445 384 M N -0.649 118.969 119.600 0.030 0.000 2.080 384 M HA -0.178 4.285 4.480 -0.028 0.000 0.260 384 M C 2.582 178.907 176.300 0.042 0.000 1.068 384 M CA 1.582 56.898 55.300 0.027 0.000 1.109 384 M CB -0.534 32.060 32.600 -0.010 0.000 1.342 384 M HN 0.491 nan 8.290 nan 0.000 0.405 385 A N 0.166 122.994 122.820 0.014 0.000 1.877 385 A HA -0.190 4.114 4.320 -0.028 0.000 0.216 385 A C 1.942 179.558 177.584 0.053 0.000 1.186 385 A CA 1.771 53.812 52.037 0.007 0.000 0.620 385 A CB -0.797 18.171 19.000 -0.052 0.000 0.822 385 A HN 0.518 nan 8.150 nan 0.000 0.443 386 E N -0.074 120.153 120.200 0.045 0.000 2.086 386 E HA -0.215 4.119 4.350 -0.028 0.000 0.200 386 E C 2.160 178.789 176.600 0.049 0.000 1.012 386 E CA 1.867 58.294 56.400 0.045 0.000 0.812 386 E CB -0.178 29.548 29.700 0.043 0.000 0.743 386 E HN 0.773 nan 8.360 nan 0.000 0.453 387 S N -0.647 115.088 115.700 0.058 0.000 2.575 387 S HA -0.032 4.421 4.470 -0.028 0.000 0.215 387 S C 0.342 174.980 174.600 0.063 0.000 0.966 387 S CA -0.191 58.038 58.200 0.048 0.000 0.911 387 S CB -0.043 63.181 63.200 0.040 0.000 0.780 387 S HN 0.207 nan 8.310 nan 0.000 0.514 388 H N 2.170 121.245 119.070 0.008 0.000 2.525 388 H HA 0.387 4.927 4.556 -0.027 0.000 0.339 388 H C -1.850 173.471 175.328 -0.012 0.000 1.109 388 H CA -1.524 54.533 56.048 0.014 0.000 1.352 388 H CB 1.357 31.131 29.762 0.020 0.000 1.461 388 H HN -0.028 nan 8.280 nan 0.000 0.533 389 P HA -0.131 nan 4.420 nan 0.000 0.217 389 P C 0.294 177.476 177.300 -0.197 0.000 1.150 389 P CA 1.220 64.163 63.100 -0.260 0.000 0.832 389 P CB 0.184 31.549 31.700 -0.557 0.000 0.787 390 F N -1.359 118.664 119.950 0.121 0.000 2.732 390 F HA 0.362 4.873 4.527 -0.028 0.000 0.303 390 F C 1.730 177.629 175.800 0.165 0.000 1.110 390 F CA 0.502 58.538 58.000 0.061 0.000 1.355 390 F CB -0.883 37.923 39.000 -0.323 0.000 1.081 390 F HN -0.026 nan 8.300 nan 0.000 0.565 391 G N 1.642 110.614 108.800 0.286 0.000 2.168 391 G HA2 -0.329 3.614 3.960 -0.028 0.000 0.257 391 G HA3 -0.329 3.614 3.960 -0.028 0.000 0.257 391 G C 0.363 175.266 174.900 0.005 0.000 0.997 391 G CA 0.470 45.657 45.100 0.145 0.000 0.708 391 G HN 0.522 nan 8.290 nan 0.000 0.520 392 I N -2.018 118.482 120.570 -0.117 0.000 2.566 392 I HA 0.662 4.816 4.170 -0.028 0.000 0.303 392 I C -2.103 173.812 176.117 -0.337 0.000 0.983 392 I CA -3.160 57.953 61.300 -0.311 0.000 1.235 392 I CB 1.830 39.514 38.000 -0.527 0.000 1.386 392 I HN -0.108 nan 8.210 nan 0.000 0.494 393 P HA 0.340 nan 4.420 nan 0.000 0.225 393 P C -1.067 176.076 177.300 -0.261 0.000 1.830 393 P CA 0.027 63.017 63.100 -0.184 0.000 1.051 393 P CB 0.353 32.014 31.700 -0.066 0.000 1.929 394 M N 1.556 120.954 119.600 -0.337 0.000 2.575 394 M HA 0.469 4.933 4.480 -0.028 0.000 0.284 394 M C 0.175 176.406 176.300 -0.114 0.000 1.253 394 M CA -0.615 54.458 55.300 -0.379 0.000 0.861 394 M CB 3.325 35.504 32.600 -0.702 0.000 1.733 394 M HN 0.076 nan 8.290 nan 0.000 0.462 395 R N -0.170 120.272 120.500 -0.097 0.000 2.939 395 R HA 0.380 4.704 4.340 -0.028 0.000 0.254 395 R C 0.124 176.534 176.300 0.183 0.000 1.123 395 R CA -0.883 55.271 56.100 0.089 0.000 1.020 395 R CB 1.094 31.415 30.300 0.035 0.000 1.206 395 R HN 0.536 nan 8.270 nan 0.000 0.491 396 D N 0.988 121.543 120.400 0.259 0.000 2.144 396 D HA -0.162 4.461 4.640 -0.028 0.000 0.199 396 D C 1.186 177.629 176.300 0.238 0.000 0.984 396 D CA 1.587 55.788 54.000 0.335 0.000 0.834 396 D CB -0.126 40.772 40.800 0.163 0.000 0.955 396 D HN 0.562 nan 8.370 nan 0.000 0.465 397 D N 0.232 120.693 120.400 0.101 0.000 2.264 397 D HA -0.141 4.482 4.640 -0.028 0.000 0.208 397 D C 1.055 177.368 176.300 0.022 0.000 0.966 397 D CA 0.672 54.702 54.000 0.049 0.000 0.864 397 D CB -0.438 40.381 40.800 0.033 0.000 0.933 397 D HN 0.092 nan 8.370 nan 0.000 0.499 398 D N -0.381 119.977 120.400 -0.070 0.000 2.348 398 D HA -0.076 4.547 4.640 -0.028 0.000 0.216 398 D C -0.025 176.080 176.300 -0.326 0.000 0.970 398 D CA 0.293 54.156 54.000 -0.227 0.000 0.889 398 D CB -0.314 40.256 40.800 -0.383 0.000 0.912 398 D HN 0.273 nan 8.370 nan 0.000 0.524 399 F N 1.821 121.746 119.950 -0.042 0.000 2.619 399 F HA 0.195 4.706 4.527 -0.027 0.000 0.350 399 F C 1.129 176.931 175.800 0.003 0.000 1.259 399 F CA -0.434 57.537 58.000 -0.049 0.000 1.204 399 F CB -0.546 38.421 39.000 -0.055 0.000 1.556 399 F HN -0.135 nan 8.300 nan 0.000 0.650 400 I N -2.446 118.212 120.570 0.147 0.000 3.449 400 I HA 0.488 4.642 4.170 -0.028 0.000 0.294 400 I C -0.189 176.086 176.117 0.262 0.000 1.163 400 I CA -1.235 60.226 61.300 0.268 0.000 1.010 400 I CB 0.790 38.956 38.000 0.276 0.000 1.307 400 I HN 0.149 nan 8.210 nan 0.000 0.518 401 W N 2.676 124.067 121.300 0.152 0.000 2.476 401 W HA 0.193 4.837 4.660 -0.027 0.000 0.338 401 W C 1.013 177.582 176.519 0.084 0.000 1.328 401 W CA 1.475 58.911 57.345 0.151 0.000 1.300 401 W CB -0.274 29.324 29.460 0.231 0.000 1.252 401 W HN 0.949 nan 8.180 nan 0.000 0.568 402 G N 3.466 112.406 108.800 0.233 0.000 2.198 402 G HA2 -0.345 3.599 3.960 -0.028 0.000 0.257 402 G HA3 -0.345 3.599 3.960 -0.028 0.000 0.257 402 G C 1.111 175.795 174.900 -0.360 0.000 1.042 402 G CA 0.709 45.574 45.100 -0.393 0.000 0.791 402 G HN 1.025 nan 8.290 nan 0.000 0.502 403 S N -0.743 114.816 115.700 -0.235 0.000 2.419 403 S HA -0.160 4.293 4.470 -0.028 0.000 0.235 403 S C 1.753 176.167 174.600 -0.309 0.000 1.019 403 S CA 1.671 59.740 58.200 -0.217 0.000 0.982 403 S CB -0.393 62.780 63.200 -0.045 0.000 0.789 403 S HN 0.719 nan 8.310 nan 0.000 0.490 404 N N 0.919 119.386 118.700 -0.389 0.000 2.188 404 N HA 0.023 4.747 4.740 -0.028 0.000 0.184 404 N C 1.911 177.240 175.510 -0.302 0.000 1.018 404 N CA 1.353 54.190 53.050 -0.355 0.000 0.858 404 N CB -0.264 37.966 38.487 -0.428 0.000 0.989 404 N HN 0.370 nan 8.380 nan 0.000 0.426 405 M N 0.839 120.219 119.600 -0.367 0.000 2.175 405 M HA -0.122 4.341 4.480 -0.028 0.000 0.264 405 M C 1.685 177.929 176.300 -0.093 0.000 1.063 405 M CA 1.235 56.452 55.300 -0.139 0.000 1.119 405 M CB 0.045 32.646 32.600 0.002 0.000 1.377 405 M HN 0.002 nan 8.290 nan 0.000 0.415 406 V N 1.050 120.870 119.914 -0.156 0.000 2.295 406 V HA -0.287 3.817 4.120 -0.028 0.000 0.246 406 V C 2.394 178.363 176.094 -0.209 0.000 1.049 406 V CA 1.810 64.009 62.300 -0.168 0.000 1.024 406 V CB -0.970 30.723 31.823 -0.216 0.000 0.648 406 V HN 0.574 nan 8.190 nan 0.000 0.447 407 L N -0.355 120.703 121.223 -0.275 0.000 2.046 407 L HA -0.120 4.204 4.340 -0.028 0.000 0.208 407 L C 2.168 178.920 176.870 -0.197 0.000 1.077 407 L CA 1.896 56.558 54.840 -0.296 0.000 0.747 407 L CB -0.571 41.256 42.059 -0.386 0.000 0.896 407 L HN 0.194 nan 8.230 nan 0.000 0.432 408 L N -0.341 120.787 121.223 -0.158 0.000 2.056 408 L HA -0.152 4.171 4.340 -0.028 0.000 0.207 408 L C 2.303 179.139 176.870 -0.057 0.000 1.078 408 L CA 1.004 55.787 54.840 -0.096 0.000 0.749 408 L CB -0.757 41.264 42.059 -0.063 0.000 0.901 408 L HN 0.343 nan 8.230 nan 0.000 0.433 409 N N 0.327 118.989 118.700 -0.064 0.000 2.205 409 N HA -0.163 4.561 4.740 -0.028 0.000 0.186 409 N C 1.899 177.348 175.510 -0.101 0.000 1.015 409 N CA 1.196 54.197 53.050 -0.082 0.000 0.862 409 N CB -0.129 38.311 38.487 -0.079 0.000 0.986 409 N HN 0.307 nan 8.380 nan 0.000 0.429 410 R N 0.206 120.656 120.500 -0.084 0.000 2.093 410 R HA 0.173 4.496 4.340 -0.028 0.000 0.224 410 R C 2.207 178.570 176.300 0.105 0.000 1.101 410 R CA 0.921 57.000 56.100 -0.036 0.000 0.979 410 R CB -0.247 30.020 30.300 -0.055 0.000 0.877 410 R HN 0.131 nan 8.270 nan 0.000 0.441 411 A N 1.590 124.435 122.820 0.042 0.000 1.873 411 A HA -0.261 4.043 4.320 -0.028 0.000 0.218 411 A C 2.186 179.852 177.584 0.136 0.000 1.193 411 A CA 1.767 53.840 52.037 0.060 0.000 0.629 411 A CB -0.578 18.396 19.000 -0.042 0.000 0.826 411 A HN 0.335 nan 8.150 nan 0.000 0.447 412 M N -0.349 119.295 119.600 0.074 0.000 2.195 412 M HA -0.180 4.283 4.480 -0.028 0.000 0.260 412 M C 2.136 178.419 176.300 -0.028 0.000 1.066 412 M CA 1.797 57.126 55.300 0.049 0.000 1.089 412 M CB -0.233 32.283 32.600 -0.141 0.000 1.377 412 M HN 0.446 nan 8.290 nan 0.000 0.411 413 A N 0.045 122.833 122.820 -0.054 0.000 1.877 413 A HA -0.149 4.154 4.320 -0.028 0.000 0.216 413 A C 1.787 179.331 177.584 -0.067 0.000 1.186 413 A CA 1.671 53.627 52.037 -0.135 0.000 0.620 413 A CB -1.291 17.580 19.000 -0.215 0.000 0.822 413 A HN 0.594 nan 8.150 nan 0.000 0.443 414 F N 0.031 119.947 119.950 -0.057 0.000 2.161 414 F HA -0.168 4.343 4.527 -0.026 0.000 0.300 414 F C 2.083 177.906 175.800 0.039 0.000 1.089 414 F CA 1.483 59.468 58.000 -0.026 0.000 1.282 414 F CB -0.316 38.641 39.000 -0.073 0.000 1.010 414 F HN 0.110 nan 8.300 nan 0.000 0.485 415 L N -1.044 120.339 121.223 0.265 0.000 2.209 415 L HA -0.102 4.222 4.340 -0.028 0.000 0.207 415 L C 2.192 179.284 176.870 0.369 0.000 1.094 415 L CA 0.579 55.597 54.840 0.297 0.000 0.790 415 L CB -0.516 41.767 42.059 0.374 0.000 0.932 415 L HN 0.141 nan 8.230 nan 0.000 0.447 416 L N -0.168 121.182 121.223 0.212 0.000 2.141 416 L HA -0.129 4.194 4.340 -0.028 0.000 0.209 416 L C 2.820 179.838 176.870 0.246 0.000 1.094 416 L CA 0.955 55.860 54.840 0.108 0.000 0.763 416 L CB -0.571 41.393 42.059 -0.158 0.000 0.908 416 L HN 0.222 nan 8.230 nan 0.000 0.437 417 A N 0.049 122.964 122.820 0.158 0.000 1.972 417 A HA -0.199 4.104 4.320 -0.028 0.000 0.219 417 A C 2.108 179.801 177.584 0.182 0.000 1.169 417 A CA 1.443 53.560 52.037 0.133 0.000 0.635 417 A CB -0.361 18.685 19.000 0.078 0.000 0.810 417 A HN 0.510 nan 8.150 nan 0.000 0.446 418 E N -0.493 119.852 120.200 0.242 0.000 2.204 418 E HA -0.096 4.238 4.350 -0.028 0.000 0.194 418 E C 1.826 178.535 176.600 0.182 0.000 0.989 418 E CA 0.655 57.193 56.400 0.229 0.000 0.824 418 E CB -0.335 29.534 29.700 0.281 0.000 0.756 418 E HN 0.598 nan 8.360 nan 0.000 0.477 419 G N 1.488 110.426 108.800 0.229 0.000 2.776 419 G HA2 -0.078 3.865 3.960 -0.028 0.000 0.209 419 G HA3 -0.078 3.865 3.960 -0.028 0.000 0.209 419 G C 1.253 176.176 174.900 0.039 0.000 1.145 419 G CA 0.683 45.809 45.100 0.043 0.000 0.791 419 G HN 0.259 nan 8.290 nan 0.000 0.530 420 V N -4.100 115.865 119.914 0.086 0.000 3.017 420 V HA 0.645 4.749 4.120 -0.028 0.000 0.354 420 V C 1.160 177.288 176.094 0.057 0.000 1.389 420 V CA -0.080 62.254 62.300 0.057 0.000 1.163 420 V CB -0.241 31.623 31.823 0.067 0.000 1.178 420 V HN 0.719 nan 8.190 nan 0.000 0.547 421 G N 0.710 109.545 108.800 0.060 0.000 2.203 421 G HA2 -0.213 3.731 3.960 -0.028 0.000 0.263 421 G HA3 -0.213 3.731 3.960 -0.028 0.000 0.263 421 G C 0.104 175.048 174.900 0.072 0.000 1.012 421 G CA 0.413 45.548 45.100 0.058 0.000 0.749 421 G HN 1.136 nan 8.290 nan 0.000 0.512 422 V N 0.983 120.953 119.914 0.094 0.000 2.240 422 V HA 0.426 4.530 4.120 -0.028 0.000 0.265 422 V C 0.187 176.365 176.094 0.141 0.000 1.073 422 V CA -0.660 61.703 62.300 0.104 0.000 0.857 422 V CB 1.143 33.025 31.823 0.098 0.000 1.114 422 V HN 0.208 nan 8.190 nan 0.000 0.469 423 L N 4.690 125.990 121.223 0.129 0.000 2.352 423 L HA 0.373 4.697 4.340 -0.028 0.000 0.272 423 L C 0.426 177.402 176.870 0.176 0.000 1.109 423 L CA 0.131 55.066 54.840 0.159 0.000 0.952 423 L CB -0.280 41.849 42.059 0.117 0.000 1.314 423 L HN 0.505 nan 8.230 nan 0.000 0.427 424 H N 5.350 124.524 119.070 0.173 0.000 2.722 424 H HA 0.189 4.728 4.556 -0.028 0.000 0.328 424 H C -1.511 173.930 175.328 0.188 0.000 1.067 424 H CA -1.495 54.671 56.048 0.197 0.000 1.447 424 H CB 1.673 31.617 29.762 0.304 0.000 1.469 424 H HN 0.340 nan 8.280 nan 0.000 0.544 425 P HA -0.099 nan 4.420 nan 0.000 0.221 425 P C 0.814 178.260 177.300 0.243 0.000 1.145 425 P CA 1.118 64.304 63.100 0.143 0.000 0.795 425 P CB 0.157 31.865 31.700 0.012 0.000 0.775 426 A N -0.281 122.813 122.820 0.457 0.000 2.218 426 A HA 0.343 4.647 4.320 -0.028 0.000 0.209 426 A C 2.302 179.776 177.584 -0.184 0.000 1.168 426 A CA 0.829 52.928 52.037 0.104 0.000 0.804 426 A CB -0.894 18.121 19.000 0.025 0.000 0.834 426 A HN 0.186 nan 8.150 nan 0.000 0.482 427 A N -0.448 122.362 122.820 -0.017 0.000 1.883 427 A HA -0.230 4.074 4.320 -0.028 0.000 0.217 427 A C 2.048 179.484 177.584 -0.247 0.000 1.186 427 A CA 1.730 53.667 52.037 -0.166 0.000 0.624 427 A CB -0.823 18.269 19.000 0.153 0.000 0.822 427 A HN 0.662 nan 8.150 nan 0.000 0.444 428 H N -1.430 117.619 119.070 -0.036 0.000 2.497 428 H HA -0.002 4.537 4.556 -0.028 0.000 0.282 428 H C 2.139 177.433 175.328 -0.056 0.000 1.003 428 H CA 1.451 57.483 56.048 -0.027 0.000 1.307 428 H CB -0.075 29.697 29.762 0.017 0.000 1.437 428 H HN 0.468 nan 8.280 nan 0.000 0.544 429 T N 0.678 115.244 114.554 0.020 0.000 2.788 429 T HA -0.087 4.246 4.350 -0.028 0.000 0.268 429 T C 2.341 176.989 174.700 -0.086 0.000 1.044 429 T CA 0.907 62.997 62.100 -0.017 0.000 1.139 429 T CB -0.235 68.623 68.868 -0.017 0.000 0.867 429 T HN 0.064 nan 8.240 nan 0.000 0.454 430 V N 1.485 121.262 119.914 -0.229 0.000 2.358 430 V HA -0.125 3.979 4.120 -0.028 0.000 0.246 430 V C 2.825 178.785 176.094 -0.222 0.000 1.047 430 V CA 1.571 63.684 62.300 -0.311 0.000 1.035 430 V CB -1.118 30.297 31.823 -0.680 0.000 0.658 430 V HN 0.511 nan 8.190 nan 0.000 0.452 431 A N -0.356 122.342 122.820 -0.202 0.000 1.865 431 A HA -0.323 3.981 4.320 -0.028 0.000 0.217 431 A C 2.180 179.702 177.584 -0.102 0.000 1.191 431 A CA 2.300 54.250 52.037 -0.145 0.000 0.623 431 A CB -0.666 18.248 19.000 -0.143 0.000 0.826 431 A HN 0.520 nan 8.150 nan 0.000 0.444 432 Q N -0.403 119.377 119.800 -0.033 0.000 2.077 432 Q HA -0.192 4.131 4.340 -0.028 0.000 0.206 432 Q C 2.184 178.200 176.000 0.026 0.000 0.989 432 Q CA 1.944 57.767 55.803 0.032 0.000 0.853 432 Q CB -0.261 28.535 28.738 0.096 0.000 0.907 432 Q HN 0.511 nan 8.270 nan 0.000 0.418 433 R N -0.300 120.211 120.500 0.018 0.000 2.075 433 R HA 0.011 4.335 4.340 -0.028 0.000 0.232 433 R C 2.139 178.413 176.300 -0.043 0.000 1.126 433 R CA 1.284 57.418 56.100 0.057 0.000 0.963 433 R CB -1.185 29.144 30.300 0.049 0.000 0.858 433 R HN 0.411 nan 8.270 nan 0.000 0.435 434 A N 1.186 123.928 122.820 -0.130 0.000 1.877 434 A HA -0.109 4.195 4.320 -0.028 0.000 0.216 434 A C 2.406 179.839 177.584 -0.252 0.000 1.186 434 A CA 1.994 53.917 52.037 -0.190 0.000 0.620 434 A CB -0.704 18.174 19.000 -0.204 0.000 0.822 434 A HN 0.346 nan 8.150 nan 0.000 0.443 435 A N 0.312 122.937 122.820 -0.325 0.000 1.873 435 A HA -0.259 4.044 4.320 -0.028 0.000 0.218 435 A C 1.784 179.048 177.584 -0.533 0.000 1.193 435 A CA 2.089 53.758 52.037 -0.613 0.000 0.629 435 A CB -0.839 17.842 19.000 -0.531 0.000 0.826 435 A HN 0.495 nan 8.150 nan 0.000 0.447 436 D N -1.489 118.813 120.400 -0.163 0.000 2.127 436 D HA -0.233 4.391 4.640 -0.028 0.000 0.190 436 D C 1.726 177.956 176.300 -0.117 0.000 1.000 436 D CA 2.008 56.008 54.000 0.001 0.000 0.839 436 D CB -0.747 40.193 40.800 0.234 0.000 0.955 436 D HN 0.640 nan 8.370 nan 0.000 0.446 437 Y N 0.955 121.073 120.300 -0.304 0.000 2.097 437 Y HA -0.233 4.300 4.550 -0.027 0.000 0.282 437 Y C 2.318 178.040 175.900 -0.297 0.000 1.152 437 Y CA 1.300 59.163 58.100 -0.395 0.000 1.136 437 Y CB -0.526 37.700 38.460 -0.390 0.000 0.975 437 Y HN -0.052 nan 8.280 nan 0.000 0.498 438 L N -0.797 120.283 121.223 -0.239 0.000 2.127 438 L HA -0.198 4.125 4.340 -0.028 0.000 0.211 438 L C 1.294 178.016 176.870 -0.247 0.000 1.089 438 L CA 1.662 56.324 54.840 -0.297 0.000 0.757 438 L CB -0.673 41.067 42.059 -0.531 0.000 0.899 438 L HN 0.233 nan 8.230 nan 0.000 0.434 439 F N -0.682 119.130 119.950 -0.230 0.000 2.693 439 F HA 0.456 4.966 4.527 -0.027 0.000 0.303 439 F C 1.731 177.336 175.800 -0.326 0.000 1.097 439 F CA -0.071 57.776 58.000 -0.254 0.000 1.330 439 F CB -0.208 38.663 39.000 -0.215 0.000 1.067 439 F HN 0.117 nan 8.300 nan 0.000 0.565 440 G N -0.470 108.174 108.800 -0.260 0.000 2.273 440 G HA2 0.005 3.948 3.960 -0.028 0.000 0.162 440 G HA3 0.005 3.948 3.960 -0.028 0.000 0.162 440 G C 0.408 175.123 174.900 -0.309 0.000 1.006 440 G CA -0.315 44.571 45.100 -0.357 0.000 0.704 440 G HN 0.458 nan 8.290 nan 0.000 0.487 441 A N 0.807 123.423 122.820 -0.340 0.000 2.990 441 A HA 0.647 4.950 4.320 -0.028 0.000 0.282 441 A C 0.457 177.366 177.584 -1.124 0.000 1.688 441 A CA 0.781 52.539 52.037 -0.464 0.000 1.391 441 A CB -1.015 17.733 19.000 -0.420 0.000 1.112 441 A HN 1.408 nan 8.150 nan 0.000 0.588 442 N N -0.629 117.430 118.700 -1.068 0.000 2.825 442 N HA 0.523 5.247 4.740 -0.028 0.000 0.253 442 N C -2.929 172.087 175.510 -0.823 0.000 1.426 442 N CA -1.667 50.577 53.050 -1.343 0.000 0.851 442 N CB 0.795 38.648 38.487 -1.056 0.000 1.470 442 N HN -0.155 nan 8.380 nan 0.000 0.517 443 P HA -0.020 nan 4.420 nan 0.000 0.219 443 P C 0.618 177.914 177.300 -0.007 0.000 1.146 443 P CA 1.052 64.043 63.100 -0.181 0.000 0.808 443 P CB 0.217 31.932 31.700 0.025 0.000 0.779 444 L N -2.392 118.815 121.223 -0.027 0.000 2.591 444 L HA 0.253 4.577 4.340 -0.028 0.000 0.228 444 L C 1.426 178.380 176.870 0.139 0.000 1.133 444 L CA 0.433 55.319 54.840 0.078 0.000 0.880 444 L CB -1.054 41.011 42.059 0.011 0.000 1.033 444 L HN 0.075 nan 8.230 nan 0.000 0.450 445 G N 0.972 109.929 108.800 0.262 0.000 2.296 445 G HA2 -0.360 3.584 3.960 -0.028 0.000 0.282 445 G HA3 -0.360 3.584 3.960 -0.028 0.000 0.282 445 G C 0.198 175.014 174.900 -0.139 0.000 1.014 445 G CA 0.532 45.773 45.100 0.235 0.000 0.812 445 G HN 0.439 nan 8.290 nan 0.000 0.508 446 Q N -0.289 119.286 119.800 -0.375 0.000 2.303 446 Q HA 0.534 4.858 4.340 -0.028 0.000 0.257 446 Q C 0.373 175.871 176.000 -0.838 0.000 0.941 446 Q CA -0.702 54.733 55.803 -0.612 0.000 0.931 446 Q CB 0.855 29.099 28.738 -0.824 0.000 1.215 446 Q HN 0.563 nan 8.270 nan 0.000 0.437 447 C N 6.170 125.156 119.300 -0.525 0.000 2.464 447 C HA 0.313 4.756 4.460 -0.028 0.000 0.370 447 C C 0.000 174.755 174.990 -0.392 0.000 1.267 447 C CA -0.368 58.426 59.018 -0.372 0.000 1.781 447 C CB -1.020 26.614 27.740 -0.177 0.000 2.431 447 C HN 0.967 nan 8.230 nan 0.000 0.556 448 Y N 3.871 124.047 120.300 -0.206 0.000 2.495 448 Y HA 0.280 4.814 4.550 -0.027 0.000 0.293 448 Y C 0.833 176.650 175.900 -0.138 0.000 1.186 448 Y CA 0.090 58.040 58.100 -0.250 0.000 1.266 448 Y CB -0.083 38.158 38.460 -0.365 0.000 1.101 448 Y HN 0.492 nan 8.280 nan 0.000 0.517 449 V N 0.418 120.356 119.914 0.040 0.000 2.495 449 V HA 0.261 4.365 4.120 -0.028 0.000 0.298 449 V C 0.277 176.379 176.094 0.014 0.000 1.031 449 V CA -1.332 60.979 62.300 0.019 0.000 0.871 449 V CB 1.615 33.466 31.823 0.048 0.000 0.988 449 V HN 0.301 nan 8.190 nan 0.000 0.432 450 T N 0.678 115.205 114.554 -0.044 0.000 2.930 450 T HA 0.459 4.793 4.350 -0.028 0.000 0.306 450 T C 1.198 175.899 174.700 0.002 0.000 1.045 450 T CA 0.509 62.563 62.100 -0.077 0.000 1.134 450 T CB 1.013 69.779 68.868 -0.170 0.000 0.961 450 T HN 2.016 nan 8.240 nan 0.000 0.545 451 G N 1.292 110.037 108.800 -0.093 0.000 2.143 451 G HA2 -0.179 3.764 3.960 -0.028 0.000 0.249 451 G HA3 -0.179 3.764 3.960 -0.028 0.000 0.249 451 G C -0.146 174.475 174.900 -0.465 0.000 0.981 451 G CA 0.038 45.000 45.100 -0.230 0.000 0.665 451 G HN 0.769 nan 8.290 nan 0.000 0.528 452 F N -0.588 119.277 119.950 -0.142 0.000 2.626 452 F HA 0.649 5.159 4.527 -0.027 0.000 0.311 452 F C 0.922 176.619 175.800 -0.171 0.000 1.088 452 F CA 0.226 58.127 58.000 -0.165 0.000 0.949 452 F CB 1.742 40.597 39.000 -0.243 0.000 1.322 452 F HN 1.041 nan 8.300 nan 0.000 0.461 453 G N 1.634 110.450 108.800 0.028 0.000 2.750 453 G HA2 -0.206 3.737 3.960 -0.028 0.000 0.228 453 G HA3 -0.206 3.737 3.960 -0.028 0.000 0.228 453 G C -0.111 174.761 174.900 -0.046 0.000 1.367 453 G CA -0.125 44.951 45.100 -0.040 0.000 0.871 453 G HN 0.605 nan 8.290 nan 0.000 0.560 454 Q N -0.495 119.277 119.800 -0.047 0.000 2.376 454 Q HA 0.221 4.544 4.340 -0.028 0.000 0.206 454 Q C 1.899 177.867 176.000 -0.054 0.000 0.921 454 Q CA 1.302 57.094 55.803 -0.018 0.000 0.911 454 Q CB 0.426 29.199 28.738 0.059 0.000 1.032 454 Q HN 0.549 nan 8.270 nan 0.000 0.510 455 R N 1.266 121.708 120.500 -0.097 0.000 2.564 455 R HA 0.272 4.595 4.340 -0.028 0.000 0.282 455 R C -2.726 173.490 176.300 -0.139 0.000 1.573 455 R CA -1.876 54.160 56.100 -0.108 0.000 1.588 455 R CB 0.796 31.031 30.300 -0.109 0.000 1.154 455 R HN 0.006 nan 8.270 nan 0.000 0.606 456 P HA 0.064 nan 4.420 nan 0.000 0.276 456 P C -0.301 176.926 177.300 -0.121 0.000 1.261 456 P CA -0.347 62.679 63.100 -0.123 0.000 0.800 456 P CB 1.175 32.797 31.700 -0.131 0.000 1.066 457 V N 3.365 123.223 119.914 -0.094 0.000 2.470 457 V HA 0.083 4.187 4.120 -0.028 0.000 0.276 457 V C 1.856 177.869 176.094 -0.135 0.000 1.040 457 V CA 0.255 62.527 62.300 -0.047 0.000 1.008 457 V CB 0.063 31.898 31.823 0.020 0.000 0.990 457 V HN 0.541 nan 8.190 nan 0.000 0.477 458 R N 2.550 122.924 120.500 -0.209 0.000 2.221 458 R HA 0.182 4.505 4.340 -0.028 0.000 0.195 458 R C 0.204 176.138 176.300 -0.610 0.000 0.956 458 R CA 0.487 56.298 56.100 -0.482 0.000 1.064 458 R CB 0.337 30.210 30.300 -0.712 0.000 1.049 458 R HN 0.757 nan 8.270 nan 0.000 0.534 459 H N 1.755 120.814 119.070 -0.018 0.000 2.336 459 H HA 0.319 4.859 4.556 -0.028 0.000 0.230 459 H C -2.353 172.993 175.328 0.030 0.000 1.426 459 H CA -2.114 53.923 56.048 -0.017 0.000 1.359 459 H CB 1.016 30.728 29.762 -0.084 0.000 1.555 459 H HN 0.026 nan 8.280 nan 0.000 0.512 460 P HA -0.029 nan 4.420 nan 0.000 0.271 460 P C 0.221 177.643 177.300 0.204 0.000 1.218 460 P CA -0.144 63.051 63.100 0.158 0.000 0.780 460 P CB 1.112 32.868 31.700 0.092 0.000 0.901 461 H N 1.747 120.909 119.070 0.154 0.000 3.392 461 H HA 0.087 4.626 4.556 -0.028 0.000 0.253 461 H C -0.561 174.870 175.328 0.172 0.000 1.682 461 H CA 0.425 56.562 56.048 0.148 0.000 1.535 461 H CB -1.291 28.570 29.762 0.164 0.000 1.823 461 H HN 0.366 nan 8.280 nan 0.000 0.576 462 H N 2.342 121.388 119.070 -0.040 0.000 3.172 462 H HA 0.262 4.801 4.556 -0.028 0.000 0.322 462 H C 0.732 176.019 175.328 -0.068 0.000 1.003 462 H CA -0.792 55.244 56.048 -0.020 0.000 1.466 462 H CB 0.478 30.265 29.762 0.042 0.000 1.673 462 H HN 0.499 nan 8.280 nan 0.000 0.512 463 R N 3.623 123.882 120.500 -0.402 0.000 2.103 463 R HA -0.096 4.228 4.340 -0.028 0.000 0.242 463 R C -0.993 175.203 176.300 -0.174 0.000 1.142 463 R CA 1.997 57.912 56.100 -0.309 0.000 0.960 463 R CB -0.797 29.245 30.300 -0.430 0.000 0.858 463 R HN 0.498 nan 8.270 nan 0.000 0.439 464 P HA -0.073 nan 4.420 nan 0.000 0.215 464 P C 0.964 178.303 177.300 0.064 0.000 1.153 464 P CA 1.388 64.449 63.100 -0.066 0.000 0.853 464 P CB 0.125 31.791 31.700 -0.056 0.000 0.788 465 S N -1.172 114.587 115.700 0.098 0.000 2.406 465 S HA -0.062 4.392 4.470 -0.028 0.000 0.228 465 S C 1.894 176.578 174.600 0.140 0.000 1.020 465 S CA 0.802 59.136 58.200 0.224 0.000 0.965 465 S CB -0.880 62.489 63.200 0.283 0.000 0.798 465 S HN -0.055 nan 8.310 nan 0.000 0.488 466 V N 1.208 121.160 119.914 0.064 0.000 2.407 466 V HA -0.011 4.093 4.120 -0.028 0.000 0.245 466 V C 2.420 178.539 176.094 0.042 0.000 1.041 466 V CA 1.633 63.956 62.300 0.038 0.000 1.040 466 V CB -0.714 31.095 31.823 -0.023 0.000 0.671 466 V HN 0.510 nan 8.190 nan 0.000 0.455 467 A N 0.515 123.358 122.820 0.039 0.000 1.984 467 A HA 0.018 4.322 4.320 -0.028 0.000 0.214 467 A C 1.090 178.707 177.584 0.055 0.000 1.173 467 A CA 0.683 52.745 52.037 0.042 0.000 0.673 467 A CB -0.442 18.582 19.000 0.041 0.000 0.830 467 A HN 0.685 nan 8.150 nan 0.000 0.453 468 D N 0.135 120.585 120.400 0.085 0.000 2.352 468 D HA 0.218 4.842 4.640 -0.028 0.000 0.238 468 D C -0.991 175.353 176.300 0.073 0.000 1.286 468 D CA 0.043 54.097 54.000 0.091 0.000 0.923 468 D CB 0.128 41.019 40.800 0.152 0.000 1.146 468 D HN 0.104 nan 8.370 nan 0.000 0.471 469 D N -0.962 119.468 120.400 0.049 0.000 2.634 469 D HA 0.354 4.977 4.640 -0.028 0.000 0.318 469 D C -1.189 175.126 176.300 0.024 0.000 1.226 469 D CA -0.393 53.630 54.000 0.039 0.000 0.899 469 D CB 0.790 41.603 40.800 0.022 0.000 1.025 469 D HN 0.146 nan 8.370 nan 0.000 0.501 470 V N 1.310 121.258 119.914 0.056 0.000 2.444 470 V HA 0.165 4.268 4.120 -0.028 0.000 0.294 470 V C 0.563 176.743 176.094 0.143 0.000 1.022 470 V CA -0.801 61.526 62.300 0.045 0.000 0.850 470 V CB 1.982 33.791 31.823 -0.022 0.000 0.992 470 V HN 0.169 nan 8.190 nan 0.000 0.426 471 D N 1.327 121.811 120.400 0.140 0.000 2.088 471 D HA -0.109 4.515 4.640 -0.028 0.000 0.191 471 D C 0.697 177.161 176.300 0.274 0.000 0.992 471 D CA 1.666 55.787 54.000 0.201 0.000 0.831 471 D CB -0.188 40.749 40.800 0.229 0.000 0.973 471 D HN 0.658 nan 8.370 nan 0.000 0.447 472 H N 1.482 120.623 119.070 0.118 0.000 3.034 472 H HA 0.097 4.637 4.556 -0.028 0.000 0.324 472 H C -1.725 173.771 175.328 0.280 0.000 1.015 472 H CA -1.099 55.045 56.048 0.160 0.000 1.429 472 H CB -0.200 29.699 29.762 0.228 0.000 1.429 472 H HN 0.134 nan 8.280 nan 0.000 0.585 473 P HA 0.019 nan 4.420 nan 0.000 0.276 473 P C -0.384 176.707 177.300 -0.350 0.000 1.261 473 P CA -0.595 62.529 63.100 0.040 0.000 0.800 473 P CB 0.917 32.582 31.700 -0.058 0.000 1.066 474 V N 2.823 122.332 119.914 -0.675 0.000 2.625 474 V HA -0.028 4.076 4.120 -0.028 0.000 0.305 474 V C -1.452 174.109 176.094 -0.887 0.000 1.055 474 V CA -0.133 61.373 62.300 -1.325 0.000 1.209 474 V CB -0.722 30.607 31.823 -0.824 0.000 0.877 474 V HN 0.645 nan 8.190 nan 0.000 0.489 475 P HA 0.419 nan 4.420 nan 0.000 0.282 475 P C 0.635 177.826 177.300 -0.180 0.000 1.259 475 P CA 0.453 63.312 63.100 -0.401 0.000 0.826 475 P CB 1.575 33.088 31.700 -0.312 0.000 1.064 476 G N 0.445 109.248 108.800 0.004 0.000 2.176 476 G HA2 -0.194 3.749 3.960 -0.028 0.000 0.232 476 G HA3 -0.194 3.749 3.960 -0.028 0.000 0.232 476 G C 0.096 174.849 174.900 -0.244 0.000 0.986 476 G CA -0.263 44.839 45.100 0.003 0.000 0.643 476 G HN 0.460 nan 8.290 nan 0.000 0.522 477 M N 1.623 120.985 119.600 -0.396 0.000 2.105 477 M HA 0.446 4.910 4.480 -0.028 0.000 0.350 477 M C 0.383 176.437 176.300 -0.411 0.000 1.308 477 M CA -0.420 54.441 55.300 -0.732 0.000 1.108 477 M CB 1.678 33.832 32.600 -0.742 0.000 1.622 477 M HN -0.092 nan 8.290 nan 0.000 0.468 478 V N 5.244 124.930 119.914 -0.380 0.000 2.470 478 V HA 0.140 4.243 4.120 -0.028 0.000 0.276 478 V C 0.445 176.516 176.094 -0.038 0.000 1.040 478 V CA -0.691 61.520 62.300 -0.148 0.000 1.008 478 V CB 0.694 32.464 31.823 -0.089 0.000 0.990 478 V HN 0.707 nan 8.190 nan 0.000 0.477 479 V N 3.207 123.120 119.914 -0.003 0.000 2.785 479 V HA 0.663 4.767 4.120 -0.028 0.000 0.300 479 V C 1.415 177.441 176.094 -0.113 0.000 1.062 479 V CA 0.392 62.745 62.300 0.088 0.000 1.029 479 V CB 0.927 32.852 31.823 0.171 0.000 1.024 479 V HN 0.776 nan 8.190 nan 0.000 0.477 480 G N 1.647 110.368 108.800 -0.132 0.000 2.476 480 G HA2 0.340 4.283 3.960 -0.028 0.000 0.218 480 G HA3 0.340 4.283 3.960 -0.028 0.000 0.218 480 G C 1.034 175.565 174.900 -0.615 0.000 1.164 480 G CA 0.994 45.538 45.100 -0.926 0.000 0.768 480 G HN 2.214 nan 8.290 nan 0.000 0.560 481 G N -1.031 107.558 108.800 -0.351 0.000 2.592 481 G HA2 0.079 4.023 3.960 -0.028 0.000 0.684 481 G HA3 0.079 4.023 3.960 -0.028 0.000 0.684 481 G C -2.952 171.848 174.900 -0.166 0.000 1.291 481 G CA -0.436 44.347 45.100 -0.527 0.000 0.891 481 G HN 0.366 nan 8.290 nan 0.000 0.544 482 P HA 0.216 nan 4.420 nan 0.000 0.265 482 P C -0.384 176.955 177.300 0.066 0.000 1.187 482 P CA 0.294 63.420 63.100 0.043 0.000 0.766 482 P CB 0.585 32.261 31.700 -0.040 0.000 0.820 483 N N 2.250 120.973 118.700 0.039 0.000 2.571 483 N HA 0.092 4.816 4.740 -0.028 0.000 0.286 483 N C 0.928 176.448 175.510 0.016 0.000 1.138 483 N CA -0.748 52.334 53.050 0.053 0.000 0.859 483 N CB 1.007 39.492 38.487 -0.003 0.000 1.414 483 N HN 0.230 nan 8.380 nan 0.000 0.529 484 R N 2.233 122.730 120.500 -0.005 0.000 2.235 484 R HA 0.031 4.355 4.340 -0.028 0.000 0.213 484 R C 0.203 176.427 176.300 -0.127 0.000 1.059 484 R CA 0.827 56.872 56.100 -0.092 0.000 0.997 484 R CB -0.283 29.938 30.300 -0.131 0.000 0.884 484 R HN 0.488 nan 8.270 nan 0.000 0.462 485 H N 1.641 120.731 119.070 0.033 0.000 2.559 485 H HA 0.123 4.663 4.556 -0.028 0.000 0.273 485 H C 0.446 175.773 175.328 -0.003 0.000 1.000 485 H CA 0.791 56.861 56.048 0.036 0.000 1.195 485 H CB 0.017 29.829 29.762 0.083 0.000 1.368 485 H HN 0.126 nan 8.280 nan 0.000 0.592 486 L N 1.529 122.773 121.223 0.035 0.000 3.826 486 L HA -0.276 4.047 4.340 -0.028 0.000 0.566 486 L C -0.042 176.792 176.870 -0.060 0.000 1.217 486 L CA 0.416 55.226 54.840 -0.050 0.000 0.823 486 L CB -1.334 40.697 42.059 -0.046 0.000 1.381 486 L HN 0.398 nan 8.230 nan 0.000 0.825 487 Q N 0.739 120.467 119.800 -0.121 0.000 2.225 487 Q HA 0.201 4.524 4.340 -0.028 0.000 0.259 487 Q C -0.108 175.765 176.000 -0.211 0.000 0.872 487 Q CA 0.078 55.837 55.803 -0.074 0.000 1.042 487 Q CB 0.447 29.203 28.738 0.031 0.000 1.142 487 Q HN 0.771 nan 8.270 nan 0.000 0.463 488 D N -2.738 117.448 120.400 -0.357 0.000 2.661 488 D HA 0.010 4.633 4.640 -0.028 0.000 0.228 488 D C 0.502 176.619 176.300 -0.305 0.000 1.210 488 D CA -0.815 52.872 54.000 -0.521 0.000 0.826 488 D CB 0.770 40.834 40.800 -1.227 0.000 1.542 488 D HN 0.053 nan 8.370 nan 0.000 0.447 489 E N 0.815 120.889 120.200 -0.210 0.000 2.171 489 E HA -0.234 4.100 4.350 -0.028 0.000 0.197 489 E C 1.424 177.911 176.600 -0.188 0.000 0.997 489 E CA 0.628 56.944 56.400 -0.140 0.000 0.810 489 E CB -0.121 29.533 29.700 -0.077 0.000 0.738 489 E HN 0.437 nan 8.360 nan 0.000 0.467 490 I N 1.414 121.820 120.570 -0.273 0.000 2.315 490 I HA -0.165 3.988 4.170 -0.028 0.000 0.248 490 I C 2.451 178.400 176.117 -0.280 0.000 1.117 490 I CA 1.230 62.331 61.300 -0.331 0.000 1.404 490 I CB -0.957 36.739 38.000 -0.507 0.000 1.071 490 I HN 0.251 nan 8.210 nan 0.000 0.419 491 A N 0.550 123.205 122.820 -0.274 0.000 1.854 491 A HA -0.180 4.123 4.320 -0.028 0.000 0.214 491 A C 2.398 179.892 177.584 -0.151 0.000 1.192 491 A CA 1.019 52.926 52.037 -0.217 0.000 0.611 491 A CB -0.593 18.266 19.000 -0.235 0.000 0.832 491 A HN 0.264 nan 8.150 nan 0.000 0.442 492 R N -0.411 120.008 120.500 -0.135 0.000 2.134 492 R HA -0.257 4.066 4.340 -0.028 0.000 0.248 492 R C 2.450 178.700 176.300 -0.083 0.000 1.143 492 R CA 1.584 57.630 56.100 -0.089 0.000 0.957 492 R CB -0.605 29.651 30.300 -0.073 0.000 0.867 492 R HN 0.551 nan 8.270 nan 0.000 0.441 493 A N 0.877 123.635 122.820 -0.103 0.000 1.841 493 A HA -0.201 4.102 4.320 -0.028 0.000 0.216 493 A C 1.989 179.524 177.584 -0.082 0.000 1.199 493 A CA 1.435 53.418 52.037 -0.090 0.000 0.621 493 A CB -0.350 18.583 19.000 -0.111 0.000 0.835 493 A HN 0.263 nan 8.150 nan 0.000 0.445 494 Q N -0.896 118.843 119.800 -0.101 0.000 2.398 494 Q HA 0.236 4.559 4.340 -0.028 0.000 0.204 494 Q C 1.498 177.459 176.000 -0.065 0.000 0.932 494 Q CA 0.622 56.377 55.803 -0.080 0.000 0.916 494 Q CB 0.176 28.859 28.738 -0.091 0.000 1.024 494 Q HN 0.711 nan 8.270 nan 0.000 0.504 495 L N -0.254 120.925 121.223 -0.073 0.000 2.817 495 L HA 0.387 4.710 4.340 -0.028 0.000 0.248 495 L C 0.619 177.462 176.870 -0.046 0.000 1.133 495 L CA -0.443 54.361 54.840 -0.060 0.000 0.935 495 L CB 0.293 42.307 42.059 -0.076 0.000 1.266 495 L HN -0.150 nan 8.230 nan 0.000 0.535 496 A N 0.848 123.641 122.820 -0.044 0.000 2.561 496 A HA 0.363 4.667 4.320 -0.028 0.000 0.251 496 A C 1.432 179.001 177.584 -0.025 0.000 1.062 496 A CA 1.077 53.095 52.037 -0.032 0.000 0.761 496 A CB -0.444 18.539 19.000 -0.028 0.000 0.986 496 A HN 0.642 nan 8.150 nan 0.000 0.510 497 G N 1.914 110.701 108.800 -0.022 0.000 2.194 497 G HA2 -0.198 3.745 3.960 -0.028 0.000 0.236 497 G HA3 -0.198 3.745 3.960 -0.028 0.000 0.236 497 G C 0.366 175.256 174.900 -0.016 0.000 0.987 497 G CA 0.285 45.375 45.100 -0.016 0.000 0.635 497 G HN 0.869 nan 8.290 nan 0.000 0.520 498 R N 1.815 122.304 120.500 -0.020 0.000 2.441 498 R HA 0.563 4.887 4.340 -0.028 0.000 0.284 498 R C -1.750 174.536 176.300 -0.024 0.000 1.070 498 R CA -1.625 54.465 56.100 -0.017 0.000 1.047 498 R CB 0.139 30.429 30.300 -0.016 0.000 1.016 498 R HN 0.227 nan 8.270 nan 0.000 0.477 499 P HA -0.032 nan 4.420 nan 0.000 0.269 499 P C -0.043 177.215 177.300 -0.071 0.000 1.217 499 P CA 0.021 63.102 63.100 -0.032 0.000 0.783 499 P CB 0.578 32.269 31.700 -0.016 0.000 0.898 500 A N 1.979 124.746 122.820 -0.088 0.000 1.873 500 A HA -0.241 4.062 4.320 -0.028 0.000 0.218 500 A C 2.232 179.624 177.584 -0.319 0.000 1.193 500 A CA 2.238 54.196 52.037 -0.133 0.000 0.629 500 A CB -1.313 17.665 19.000 -0.037 0.000 0.826 500 A HN 0.572 nan 8.150 nan 0.000 0.447 501 M N -0.914 118.391 119.600 -0.492 0.000 2.460 501 M HA -0.112 4.351 4.480 -0.028 0.000 0.263 501 M C 1.227 177.382 176.300 -0.243 0.000 1.071 501 M CA 1.184 56.108 55.300 -0.627 0.000 1.096 501 M CB -0.181 32.103 32.600 -0.527 0.000 1.408 501 M HN 0.488 nan 8.290 nan 0.000 0.463 502 E N -0.042 120.083 120.200 -0.124 0.000 2.474 502 E HA 0.147 4.480 4.350 -0.028 0.000 0.195 502 E C 0.580 177.187 176.600 0.013 0.000 1.039 502 E CA -0.277 56.111 56.400 -0.019 0.000 0.881 502 E CB 0.314 30.015 29.700 0.002 0.000 0.970 502 E HN 0.307 nan 8.360 nan 0.000 0.486 503 A N 1.583 124.391 122.820 -0.021 0.000 3.029 503 A HA 0.070 4.374 4.320 -0.028 0.000 0.251 503 A C -0.733 176.885 177.584 0.057 0.000 1.749 503 A CA 0.240 52.273 52.037 -0.008 0.000 1.386 503 A CB -0.867 18.112 19.000 -0.035 0.000 1.043 503 A HN 0.311 nan 8.150 nan 0.000 0.638 504 Y N -0.687 119.586 120.300 -0.045 0.000 2.433 504 Y HA 0.615 5.149 4.550 -0.028 0.000 0.337 504 Y C -1.369 174.533 175.900 0.003 0.000 1.026 504 Y CA -1.389 56.702 58.100 -0.014 0.000 1.037 504 Y CB 1.319 39.821 38.460 0.071 0.000 1.245 504 Y HN 0.266 nan 8.280 nan 0.000 0.443 505 I N 5.589 125.646 120.570 -0.856 0.000 2.498 505 I HA 0.318 4.472 4.170 -0.028 0.000 0.290 505 I C -1.147 174.463 176.117 -0.844 0.000 1.032 505 I CA -0.563 60.347 61.300 -0.650 0.000 1.073 505 I CB 1.306 39.133 38.000 -0.289 0.000 1.251 505 I HN 0.733 nan 8.210 nan 0.000 0.426 506 D N 7.115 127.229 120.400 -0.478 0.000 2.498 506 D HA 0.119 4.743 4.640 -0.028 0.000 0.229 506 D C -0.977 175.342 176.300 0.031 0.000 1.188 506 D CA 0.710 54.631 54.000 -0.131 0.000 1.028 506 D CB -0.092 40.769 40.800 0.102 0.000 1.087 506 D HN 0.412 nan 8.370 nan 0.000 0.510 507 H N 1.724 120.736 119.070 -0.096 0.000 2.894 507 H HA 0.088 4.628 4.556 -0.028 0.000 0.367 507 H C 0.584 175.919 175.328 0.011 0.000 1.144 507 H CA -0.345 55.665 56.048 -0.064 0.000 1.180 507 H CB 1.787 31.471 29.762 -0.130 0.000 1.758 507 H HN 0.352 nan 8.280 nan 0.000 0.541 508 Q N 1.780 121.644 119.800 0.107 0.000 2.378 508 Q HA -0.031 4.293 4.340 -0.028 0.000 0.205 508 Q C -0.389 175.817 176.000 0.344 0.000 0.954 508 Q CA 1.060 56.971 55.803 0.180 0.000 0.901 508 Q CB 0.414 29.180 28.738 0.048 0.000 0.981 508 Q HN 0.428 nan 8.270 nan 0.000 0.483 509 D N 1.099 121.761 120.400 0.437 0.000 2.327 509 D HA -0.008 4.615 4.640 -0.028 0.000 0.205 509 D C 0.255 176.589 176.300 0.058 0.000 0.989 509 D CA 0.339 54.529 54.000 0.316 0.000 0.873 509 D CB 0.319 41.224 40.800 0.175 0.000 0.955 509 D HN 0.092 nan 8.370 nan 0.000 0.515 510 S N 1.268 116.948 115.700 -0.034 0.000 3.455 510 S HA -0.023 4.430 4.470 -0.028 0.000 0.288 510 S C 1.082 175.519 174.600 -0.272 0.000 1.231 510 S CA -0.541 57.486 58.200 -0.288 0.000 1.031 510 S CB -0.699 62.347 63.200 -0.257 0.000 1.570 510 S HN 0.187 nan 8.310 nan 0.000 0.519 511 Y N 2.376 122.483 120.300 -0.323 0.000 2.373 511 Y HA 0.049 4.582 4.550 -0.028 0.000 0.293 511 Y C 2.187 177.827 175.900 -0.433 0.000 1.129 511 Y CA 0.841 58.647 58.100 -0.489 0.000 1.226 511 Y CB -1.237 36.746 38.460 -0.795 0.000 1.000 511 Y HN 0.626 nan 8.280 nan 0.000 0.549 512 S N -0.449 114.810 115.700 -0.736 0.000 2.522 512 S HA -0.087 4.367 4.470 -0.028 0.000 0.227 512 S C 1.612 175.765 174.600 -0.746 0.000 0.986 512 S CA 0.986 58.386 58.200 -1.333 0.000 0.929 512 S CB -0.900 61.608 63.200 -1.153 0.000 0.769 512 S HN 0.716 nan 8.310 nan 0.000 0.529 513 T N -2.838 111.498 114.554 -0.363 0.000 2.954 513 T HA 0.312 4.645 4.350 -0.028 0.000 0.252 513 T C 0.867 175.639 174.700 0.120 0.000 0.983 513 T CA 0.020 62.057 62.100 -0.104 0.000 0.941 513 T CB -0.250 68.570 68.868 -0.080 0.000 1.141 513 T HN 0.289 nan 8.240 nan 0.000 0.500 514 N N 1.075 119.831 118.700 0.094 0.000 2.299 514 N HA 0.322 5.045 4.740 -0.028 0.000 0.246 514 N C -0.312 175.376 175.510 0.297 0.000 1.254 514 N CA -0.265 52.933 53.050 0.247 0.000 0.879 514 N CB 0.770 39.337 38.487 0.134 0.000 1.214 514 N HN 0.629 nan 8.380 nan 0.000 0.510 515 E N -0.491 119.928 120.200 0.365 0.000 2.351 515 E HA 0.367 4.700 4.350 -0.028 0.000 0.255 515 E C -0.342 176.525 176.600 0.446 0.000 1.188 515 E CA -0.664 55.987 56.400 0.418 0.000 0.940 515 E CB 0.959 30.905 29.700 0.410 0.000 1.094 515 E HN 0.013 nan 8.360 nan 0.000 0.474 516 V N -1.910 118.144 119.914 0.233 0.000 3.001 516 V HA 0.981 5.084 4.120 -0.028 0.000 0.314 516 V C -0.916 175.050 176.094 -0.213 0.000 1.099 516 V CA -0.466 61.875 62.300 0.069 0.000 0.989 516 V CB 1.329 33.078 31.823 -0.124 0.000 1.040 516 V HN 0.775 nan 8.190 nan 0.000 0.434 517 A N 1.692 124.284 122.820 -0.379 0.000 2.566 517 A HA 0.697 5.000 4.320 -0.028 0.000 0.297 517 A C 0.362 177.689 177.584 -0.430 0.000 1.059 517 A CA -0.015 51.574 52.037 -0.747 0.000 0.691 517 A CB 1.514 19.258 19.000 -2.093 0.000 1.282 517 A HN 2.237 nan 8.150 nan 0.000 0.401 518 V N -0.217 119.534 119.914 -0.271 0.000 2.469 518 V HA -0.240 3.864 4.120 -0.028 0.000 0.251 518 V C 1.611 177.748 176.094 0.071 0.000 1.064 518 V CA 2.522 64.736 62.300 -0.143 0.000 1.066 518 V CB -1.639 30.190 31.823 0.010 0.000 0.667 518 V HN 1.332 nan 8.190 nan 0.000 0.461 519 Y N -3.202 117.147 120.300 0.082 0.000 2.490 519 Y HA 0.334 4.868 4.550 -0.027 0.000 0.281 519 Y C 1.761 177.874 175.900 0.355 0.000 1.174 519 Y CA -0.628 57.595 58.100 0.205 0.000 1.295 519 Y CB -0.685 37.879 38.460 0.174 0.000 1.062 519 Y HN 0.213 nan 8.280 nan 0.000 0.522 520 W N 0.877 122.121 121.300 -0.093 0.000 2.630 520 W HA 0.154 4.797 4.660 -0.028 0.000 0.275 520 W C 1.750 178.256 176.519 -0.021 0.000 1.192 520 W CA -0.052 57.270 57.345 -0.039 0.000 1.410 520 W CB -1.068 28.310 29.460 -0.136 0.000 1.075 520 W HN 0.155 nan 8.180 nan 0.000 0.581 521 N N 0.730 119.517 118.700 0.145 0.000 2.166 521 N HA -0.170 4.554 4.740 -0.028 0.000 0.186 521 N C 1.897 177.588 175.510 0.301 0.000 1.019 521 N CA 2.137 55.246 53.050 0.098 0.000 0.856 521 N CB -0.190 38.245 38.487 -0.087 0.000 0.993 521 N HN 0.047 nan 8.380 nan 0.000 0.426 522 S N 1.469 117.434 115.700 0.442 0.000 2.359 522 S HA -0.048 4.405 4.470 -0.028 0.000 0.224 522 S C -0.756 174.040 174.600 0.327 0.000 1.035 522 S CA 1.025 59.510 58.200 0.476 0.000 1.018 522 S CB -1.455 62.023 63.200 0.463 0.000 0.876 522 S HN 0.242 nan 8.310 nan 0.000 0.448 523 P HA 0.142 nan 4.420 nan 0.000 0.221 523 P C 1.568 178.989 177.300 0.202 0.000 1.150 523 P CA 1.461 64.687 63.100 0.210 0.000 0.800 523 P CB -0.208 31.580 31.700 0.147 0.000 0.787 524 A N 0.473 123.388 122.820 0.157 0.000 1.877 524 A HA -0.113 4.191 4.320 -0.028 0.000 0.216 524 A C 2.490 180.139 177.584 0.108 0.000 1.186 524 A CA 1.751 53.832 52.037 0.074 0.000 0.620 524 A CB -1.703 17.316 19.000 0.031 0.000 0.822 524 A HN 0.031 nan 8.150 nan 0.000 0.443 525 V N -1.165 118.859 119.914 0.183 0.000 2.282 525 V HA -0.306 3.798 4.120 -0.028 0.000 0.249 525 V C 2.282 178.490 176.094 0.191 0.000 1.057 525 V CA 2.456 64.867 62.300 0.186 0.000 1.032 525 V CB -0.896 31.075 31.823 0.246 0.000 0.645 525 V HN 0.632 nan 8.190 nan 0.000 0.447 526 F N 0.280 120.302 119.950 0.120 0.000 2.075 526 F HA -0.198 4.312 4.527 -0.027 0.000 0.297 526 F C 2.246 178.084 175.800 0.063 0.000 1.113 526 F CA 2.086 60.190 58.000 0.174 0.000 1.218 526 F CB -0.273 38.821 39.000 0.156 0.000 0.984 526 F HN -0.047 nan 8.300 nan 0.000 0.472 527 V N 0.509 120.540 119.914 0.194 0.000 2.295 527 V HA -0.312 3.791 4.120 -0.028 0.000 0.246 527 V C 2.382 178.366 176.094 -0.183 0.000 1.049 527 V CA 1.555 63.851 62.300 -0.005 0.000 1.024 527 V CB -0.635 31.185 31.823 -0.005 0.000 0.648 527 V HN 0.299 nan 8.190 nan 0.000 0.447 528 I N 0.601 121.087 120.570 -0.139 0.000 2.202 528 I HA -0.173 3.981 4.170 -0.028 0.000 0.242 528 I C 2.793 178.812 176.117 -0.164 0.000 1.091 528 I CA 1.738 62.950 61.300 -0.147 0.000 1.368 528 I CB -1.845 36.107 38.000 -0.080 0.000 1.058 528 I HN 0.286 nan 8.210 nan 0.000 0.410 529 A N 1.297 124.005 122.820 -0.188 0.000 1.929 529 A HA -0.317 3.987 4.320 -0.028 0.000 0.221 529 A C 2.568 179.685 177.584 -0.778 0.000 1.211 529 A CA 3.017 54.878 52.037 -0.293 0.000 0.657 529 A CB -1.118 17.810 19.000 -0.120 0.000 0.827 529 A HN 0.460 nan 8.150 nan 0.000 0.462 530 A N -0.958 121.060 122.820 -1.338 0.000 1.940 530 A HA -0.045 4.259 4.320 -0.028 0.000 0.219 530 A C 2.209 179.461 177.584 -0.554 0.000 1.176 530 A CA 1.683 52.731 52.037 -1.649 0.000 0.631 530 A CB -0.535 17.799 19.000 -1.111 0.000 0.814 530 A HN 0.512 nan 8.150 nan 0.000 0.446 531 L N -0.929 120.128 121.223 -0.278 0.000 2.095 531 L HA -0.064 4.260 4.340 -0.028 0.000 0.204 531 L C 2.541 179.427 176.870 0.028 0.000 1.080 531 L CA 0.547 55.377 54.840 -0.018 0.000 0.759 531 L CB -0.412 41.707 42.059 0.100 0.000 0.914 531 L HN 0.355 nan 8.230 nan 0.000 0.439 532 L N 0.170 121.402 121.223 0.014 0.000 2.013 532 L HA -0.243 4.081 4.340 -0.028 0.000 0.212 532 L C 1.350 178.220 176.870 -0.001 0.000 1.073 532 L CA 1.332 56.194 54.840 0.036 0.000 0.753 532 L CB -0.327 41.752 42.059 0.033 0.000 0.890 532 L HN 0.293 nan 8.230 nan 0.000 0.432 533 E N 0.701 120.867 120.200 -0.056 0.000 2.778 533 E HA 0.116 4.449 4.350 -0.028 0.000 0.318 533 E C 0.312 176.916 176.600 0.007 0.000 1.309 533 E CA -0.183 56.212 56.400 -0.008 0.000 1.419 533 E CB -0.042 29.679 29.700 0.035 0.000 1.150 533 E HN 0.343 nan 8.360 nan 0.000 0.492 534 A N 0.000 122.825 122.820 0.009 0.000 2.254 534 A HA 0.000 4.303 4.320 -0.028 0.000 0.244 534 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 534 A CB 0.000 19.009 19.000 0.014 0.000 0.831 534 A HN 0.000 nan 8.150 nan 0.000 0.486