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 2onn_1_A DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGQE LGEYGLQAYT EVKTVTVKVP QKNS 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 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.579 177.584 -0.008 0.000 1.274 7 A CA 0.000 52.051 52.037 0.024 0.000 0.836 7 A CB 0.000 19.019 19.000 0.031 0.000 0.831 8 V N 2.791 122.677 119.914 -0.047 0.000 2.439 8 V HA 0.488 4.608 4.120 -0.000 0.000 0.282 8 V C -1.851 174.148 176.094 -0.158 0.000 1.039 8 V CA -1.335 60.851 62.300 -0.190 0.000 0.913 8 V CB 1.095 32.848 31.823 -0.118 0.000 0.983 8 V HN 0.776 nan 8.190 nan 0.000 0.460 9 P HA 0.331 nan 4.420 nan 0.000 0.271 9 P C -0.274 177.020 177.300 -0.009 0.000 1.216 9 P CA -0.132 62.903 63.100 -0.108 0.000 0.776 9 P CB 0.534 32.169 31.700 -0.109 0.000 0.881 10 A N 4.706 127.517 122.820 -0.014 0.000 2.520 10 A HA 0.325 4.645 4.320 -0.000 0.000 0.245 10 A C -1.653 175.867 177.584 -0.107 0.000 1.072 10 A CA -0.651 51.356 52.037 -0.049 0.000 0.761 10 A CB -0.969 18.005 19.000 -0.044 0.000 1.004 10 A HN 0.438 nan 8.150 nan 0.000 0.499 11 P HA 0.178 nan 4.420 nan 0.000 0.278 11 P C -0.919 176.215 177.300 -0.277 0.000 1.258 11 P CA -0.731 62.101 63.100 -0.447 0.000 0.811 11 P CB 0.824 31.875 31.700 -1.082 0.000 1.063 12 N N 1.302 119.876 118.700 -0.211 0.000 2.527 12 N HA 0.042 4.782 4.740 -0.000 0.000 0.236 12 N C 0.792 176.065 175.510 -0.394 0.000 0.999 12 N CA -0.063 52.867 53.050 -0.201 0.000 0.935 12 N CB 0.464 38.914 38.487 -0.061 0.000 1.132 12 N HN 0.239 nan 8.380 nan 0.000 0.511 13 Q N 1.661 121.089 119.800 -0.620 0.000 2.508 13 Q HA -0.082 4.258 4.340 -0.000 0.000 0.214 13 Q C -0.258 175.310 176.000 -0.720 0.000 0.979 13 Q CA 0.957 56.061 55.803 -1.165 0.000 0.911 13 Q CB 0.173 28.327 28.738 -0.974 0.000 0.969 13 Q HN 0.648 nan 8.270 nan 0.000 0.504 14 Q N 0.706 120.283 119.800 -0.372 0.000 3.557 14 Q HA 0.221 4.561 4.340 -0.000 0.000 0.264 14 Q C -2.493 173.429 176.000 -0.131 0.000 0.850 14 Q CA -1.242 54.435 55.803 -0.210 0.000 0.833 14 Q CB 1.402 30.036 28.738 -0.173 0.000 1.505 14 Q HN 0.114 nan 8.270 nan 0.000 0.402 15 P HA -0.043 nan 4.420 nan 0.000 0.271 15 P C -0.330 176.955 177.300 -0.025 0.000 1.216 15 P CA 0.023 63.126 63.100 0.005 0.000 0.776 15 P CB 1.077 32.779 31.700 0.004 0.000 0.881 16 E N 1.632 121.797 120.200 -0.058 0.000 2.373 16 E HA 0.165 4.515 4.350 -0.000 0.000 0.267 16 E C -0.770 175.574 176.600 -0.428 0.000 1.032 16 E CA -0.524 55.680 56.400 -0.327 0.000 0.889 16 E CB 0.646 30.010 29.700 -0.559 0.000 0.984 16 E HN 0.161 nan 8.360 nan 0.000 0.425 17 V N 6.401 126.074 119.914 -0.401 0.000 2.364 17 V HA 0.107 4.227 4.120 -0.000 0.000 0.272 17 V C 0.059 175.941 176.094 -0.352 0.000 1.036 17 V CA -0.099 62.058 62.300 -0.238 0.000 0.880 17 V CB 0.692 32.439 31.823 -0.126 0.000 0.991 17 V HN 0.690 nan 8.190 nan 0.000 0.460 18 F N 1.889 121.857 119.950 0.031 0.000 2.678 18 F HA 0.235 4.762 4.527 -0.000 0.000 0.291 18 F C 1.032 176.737 175.800 -0.159 0.000 1.123 18 F CA -0.055 57.928 58.000 -0.027 0.000 1.395 18 F CB 0.242 39.270 39.000 0.046 0.000 1.121 18 F HN 0.361 nan 8.300 nan 0.000 0.592 19 C N 2.268 121.581 119.300 0.022 0.000 2.340 19 C HA 0.409 4.869 4.460 -0.000 0.000 0.323 19 C C 0.462 175.301 174.990 -0.251 0.000 1.260 19 C CA -0.890 57.901 59.018 -0.378 0.000 1.464 19 C CB 0.339 27.846 27.740 -0.389 0.000 2.156 19 C HN 0.551 nan 8.230 nan 0.000 0.476 20 N N 1.574 120.089 118.700 -0.309 0.000 2.286 20 N HA 0.054 4.794 4.740 -0.000 0.000 0.245 20 N C -0.422 175.058 175.510 -0.050 0.000 1.363 20 N CA -0.256 52.711 53.050 -0.139 0.000 0.822 20 N CB 0.268 38.670 38.487 -0.141 0.000 1.345 20 N HN 0.777 nan 8.380 nan 0.000 0.494 21 Q N -0.088 119.735 119.800 0.038 0.000 2.962 21 Q HA 0.555 4.895 4.340 -0.000 0.000 0.282 21 Q C -0.250 176.087 176.000 0.562 0.000 1.058 21 Q CA -0.997 54.980 55.803 0.290 0.000 0.854 21 Q CB 1.714 30.655 28.738 0.339 0.000 1.441 21 Q HN 0.045 nan 8.270 nan 0.000 0.497 22 I N 1.205 122.060 120.570 0.474 0.000 2.472 22 I HA 0.187 4.357 4.170 -0.000 0.000 0.290 22 I C -0.566 175.746 176.117 0.325 0.000 1.016 22 I CA 0.003 61.514 61.300 0.352 0.000 1.348 22 I CB 0.156 38.270 38.000 0.189 0.000 1.417 22 I HN 0.480 nan 8.210 nan 0.000 0.521 23 F N 7.388 127.291 119.950 -0.079 0.000 2.361 23 F HA 0.576 5.103 4.527 -0.000 0.000 0.364 23 F C -0.367 175.257 175.800 -0.293 0.000 1.117 23 F CA -0.414 57.327 58.000 -0.431 0.000 1.071 23 F CB 0.536 39.150 39.000 -0.643 0.000 1.188 23 F HN 0.203 nan 8.300 nan 0.000 0.464 24 I N 5.598 125.775 120.570 -0.655 0.000 2.571 24 I HA 0.197 4.367 4.170 -0.000 0.000 0.289 24 I C -0.472 175.330 176.117 -0.526 0.000 1.115 24 I CA -1.020 59.959 61.300 -0.535 0.000 1.045 24 I CB 1.854 39.511 38.000 -0.573 0.000 1.238 24 I HN 0.486 nan 8.210 nan 0.000 0.424 25 N N 4.945 123.391 118.700 -0.423 0.000 2.727 25 N HA -0.245 4.495 4.740 -0.000 0.000 0.249 25 N C 0.024 175.291 175.510 -0.404 0.000 1.048 25 N CA 1.313 54.182 53.050 -0.302 0.000 0.714 25 N CB -1.052 37.342 38.487 -0.156 0.000 0.959 25 N HN 0.940 nan 8.380 nan 0.000 0.544 26 N N -1.604 116.633 118.700 -0.772 0.000 2.708 26 N HA -0.243 4.497 4.740 -0.000 0.000 0.251 26 N C -0.919 174.161 175.510 -0.717 0.000 1.123 26 N CA 1.167 53.754 53.050 -0.772 0.000 0.739 26 N CB -0.450 37.929 38.487 -0.180 0.000 1.113 26 N HN 0.620 nan 8.380 nan 0.000 0.561 27 E N -0.780 118.923 120.200 -0.829 0.000 2.317 27 E HA 0.372 4.722 4.350 -0.000 0.000 0.270 27 E C -1.020 175.336 176.600 -0.407 0.000 0.885 27 E CA -0.700 55.441 56.400 -0.433 0.000 0.760 27 E CB 1.140 30.724 29.700 -0.193 0.000 1.227 27 E HN 0.127 nan 8.360 nan 0.000 0.434 28 W N 2.002 123.283 121.300 -0.033 0.000 2.351 28 W HA 0.308 4.968 4.660 -0.000 0.000 0.311 28 W C 0.439 176.946 176.519 -0.020 0.000 1.168 28 W CA -0.210 57.190 57.345 0.092 0.000 1.200 28 W CB 0.765 30.287 29.460 0.103 0.000 1.221 28 W HN 0.318 nan 8.180 nan 0.000 0.519 29 H N 1.378 120.589 119.070 0.236 0.000 2.797 29 H HA 0.280 4.836 4.556 -0.000 0.000 0.372 29 H C -0.752 174.667 175.328 0.151 0.000 1.168 29 H CA -1.059 55.071 56.048 0.137 0.000 1.163 29 H CB 2.180 31.977 29.762 0.057 0.000 1.778 29 H HN 0.235 nan 8.280 nan 0.000 0.551 30 D N 0.325 120.859 120.400 0.224 0.000 2.332 30 D HA 0.339 4.979 4.640 -0.000 0.000 0.252 30 D C 0.104 176.493 176.300 0.149 0.000 1.050 30 D CA -0.507 53.587 54.000 0.157 0.000 0.970 30 D CB 1.762 42.623 40.800 0.103 0.000 1.141 30 D HN 0.591 nan 8.370 nan 0.000 0.485 31 A N 0.656 123.549 122.820 0.120 0.000 2.466 31 A HA 0.109 4.429 4.320 -0.000 0.000 0.238 31 A C 1.513 179.149 177.584 0.087 0.000 1.074 31 A CA -0.371 51.727 52.037 0.101 0.000 0.774 31 A CB 0.325 19.382 19.000 0.096 0.000 1.015 31 A HN 0.414 nan 8.150 nan 0.000 0.498 32 V N 2.049 122.007 119.914 0.073 0.000 2.392 32 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 32 V C 2.561 178.689 176.094 0.058 0.000 1.059 32 V CA 2.642 64.980 62.300 0.063 0.000 1.051 32 V CB -0.892 30.962 31.823 0.051 0.000 0.658 32 V HN 1.098 nan 8.190 nan 0.000 0.455 33 S N -0.627 115.109 115.700 0.060 0.000 2.607 33 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 33 S C 1.164 175.800 174.600 0.061 0.000 0.969 33 S CA -0.037 58.198 58.200 0.058 0.000 0.927 33 S CB -0.185 63.052 63.200 0.062 0.000 0.772 33 S HN 0.533 nan 8.310 nan 0.000 0.533 34 R N -0.125 120.414 120.500 0.065 0.000 4.000 34 R HA -0.136 4.204 4.340 -0.000 0.000 0.348 34 R C -0.390 175.950 176.300 0.067 0.000 1.204 34 R CA 1.122 57.259 56.100 0.062 0.000 0.987 34 R CB -2.497 27.833 30.300 0.050 0.000 1.446 34 R HN 0.603 nan 8.270 nan 0.000 0.555 35 K N 1.064 121.511 120.400 0.079 0.000 2.168 35 K HA 0.312 4.632 4.320 -0.000 0.000 0.258 35 K C 0.920 177.588 176.600 0.113 0.000 1.010 35 K CA 0.724 57.069 56.287 0.097 0.000 0.929 35 K CB 0.720 33.286 32.500 0.111 0.000 0.998 35 K HN 0.325 nan 8.250 nan 0.000 0.479 36 T N -1.481 113.152 114.554 0.132 0.000 2.816 36 T HA 0.681 5.031 4.350 -0.000 0.000 0.299 36 T C -1.105 173.731 174.700 0.227 0.000 1.230 36 T CA -1.061 61.111 62.100 0.120 0.000 1.007 36 T CB 0.849 69.725 68.868 0.015 0.000 1.289 36 T HN 0.535 nan 8.240 nan 0.000 0.508 37 F N -1.514 118.435 119.950 -0.003 0.000 2.654 37 F HA 0.854 5.381 4.527 -0.000 0.000 0.308 37 F C -3.267 172.549 175.800 0.026 0.000 1.108 37 F CA -2.438 55.581 58.000 0.032 0.000 0.957 37 F CB 1.372 40.365 39.000 -0.011 0.000 1.309 37 F HN 0.511 nan 8.300 nan 0.000 0.446 38 P HA 0.232 nan 4.420 nan 0.000 0.281 38 P C -1.034 176.298 177.300 0.054 0.000 1.249 38 P CA -0.164 62.935 63.100 -0.001 0.000 0.810 38 P CB 2.049 33.788 31.700 0.064 0.000 1.008 39 T N 1.317 115.849 114.554 -0.035 0.000 2.792 39 T HA 0.409 4.759 4.350 -0.000 0.000 0.280 39 T C -0.567 174.147 174.700 0.023 0.000 0.990 39 T CA -0.527 61.589 62.100 0.026 0.000 0.960 39 T CB 0.369 69.223 68.868 -0.024 0.000 0.939 39 T HN 0.075 nan 8.240 nan 0.000 0.439 40 V N 5.490 125.433 119.914 0.048 0.000 2.617 40 V HA 0.425 4.545 4.120 -0.000 0.000 0.298 40 V C 0.649 176.762 176.094 0.033 0.000 1.048 40 V CA -1.021 61.306 62.300 0.045 0.000 0.964 40 V CB 1.552 33.426 31.823 0.085 0.000 1.004 40 V HN 0.951 nan 8.190 nan 0.000 0.466 41 N N 5.086 123.799 118.700 0.023 0.000 2.521 41 N HA 0.234 4.974 4.740 -0.000 0.000 0.236 41 N C -1.443 174.069 175.510 0.002 0.000 1.067 41 N CA -1.562 51.497 53.050 0.015 0.000 0.939 41 N CB 1.222 39.719 38.487 0.016 0.000 1.201 41 N HN 0.430 nan 8.380 nan 0.000 0.511 42 P HA -0.138 nan 4.420 nan 0.000 0.224 42 P C 0.459 177.645 177.300 -0.190 0.000 1.142 42 P CA 1.055 64.174 63.100 0.032 0.000 0.778 42 P CB 0.349 32.058 31.700 0.015 0.000 0.764 43 S N -0.780 114.856 115.700 -0.107 0.000 2.446 43 S HA -0.025 4.445 4.470 -0.000 0.000 0.225 43 S C 1.817 176.458 174.600 0.067 0.000 1.016 43 S CA 1.650 59.853 58.200 0.006 0.000 0.943 43 S CB -0.477 62.806 63.200 0.138 0.000 0.786 43 S HN 0.451 nan 8.310 nan 0.000 0.508 44 T N -3.231 111.296 114.554 -0.044 0.000 2.958 44 T HA 0.471 4.821 4.350 -0.000 0.000 0.256 44 T C 1.478 176.086 174.700 -0.154 0.000 0.983 44 T CA 0.779 62.839 62.100 -0.068 0.000 0.924 44 T CB 0.442 69.292 68.868 -0.030 0.000 1.136 44 T HN 0.483 nan 8.240 nan 0.000 0.506 45 G N 1.605 110.286 108.800 -0.199 0.000 2.179 45 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 45 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 45 G C -0.152 174.717 174.900 -0.053 0.000 0.977 45 G CA 0.119 45.109 45.100 -0.183 0.000 0.641 45 G HN 0.603 nan 8.290 nan 0.000 0.533 46 E N 0.041 120.215 120.200 -0.043 0.000 2.343 46 E HA 0.458 4.808 4.350 -0.000 0.000 0.269 46 E C 0.577 177.173 176.600 -0.007 0.000 1.047 46 E CA -0.614 55.773 56.400 -0.023 0.000 0.874 46 E CB 1.779 31.462 29.700 -0.029 0.000 1.033 46 E HN 0.133 nan 8.360 nan 0.000 0.409 47 V N 4.435 124.345 119.914 -0.006 0.000 2.470 47 V HA 0.002 4.122 4.120 -0.000 0.000 0.276 47 V C 1.756 177.836 176.094 -0.023 0.000 1.040 47 V CA 0.224 62.520 62.300 -0.006 0.000 1.008 47 V CB 0.128 31.948 31.823 -0.004 0.000 0.990 47 V HN 0.611 nan 8.190 nan 0.000 0.477 48 I N 4.234 124.788 120.570 -0.027 0.000 2.163 48 I HA -0.036 4.134 4.170 -0.000 0.000 0.240 48 I C 1.059 177.139 176.117 -0.062 0.000 1.081 48 I CA 1.481 62.756 61.300 -0.041 0.000 1.353 48 I CB 0.030 38.010 38.000 -0.034 0.000 1.054 48 I HN 0.874 nan 8.210 nan 0.000 0.407 49 C N -2.012 117.242 119.300 -0.076 0.000 3.211 49 C HA 0.501 4.961 4.460 -0.000 0.000 0.350 49 C C -0.867 174.042 174.990 -0.135 0.000 1.413 49 C CA -1.141 57.819 59.018 -0.097 0.000 1.203 49 C CB 1.101 28.777 27.740 -0.108 0.000 1.506 49 C HN 0.262 nan 8.230 nan 0.000 0.448 50 Q N 0.335 120.048 119.800 -0.146 0.000 2.230 50 Q HA 0.820 5.160 4.340 -0.000 0.000 0.248 50 Q C -0.809 175.020 176.000 -0.286 0.000 0.915 50 Q CA -0.255 55.430 55.803 -0.197 0.000 0.900 50 Q CB 1.628 30.297 28.738 -0.115 0.000 1.229 50 Q HN 0.834 nan 8.270 nan 0.000 0.439 51 V N 1.925 121.538 119.914 -0.502 0.000 2.709 51 V HA 0.700 4.820 4.120 -0.000 0.000 0.308 51 V C -0.689 175.187 176.094 -0.362 0.000 1.062 51 V CA -1.209 60.770 62.300 -0.535 0.000 0.901 51 V CB 1.784 33.071 31.823 -0.893 0.000 1.003 51 V HN 0.957 nan 8.190 nan 0.000 0.425 52 A N 2.682 125.460 122.820 -0.070 0.000 2.566 52 A HA 0.183 4.503 4.320 -0.000 0.000 0.245 52 A C 0.368 178.097 177.584 0.241 0.000 1.056 52 A CA 0.344 52.435 52.037 0.089 0.000 0.757 52 A CB -0.119 18.961 19.000 0.133 0.000 0.979 52 A HN 0.908 nan 8.150 nan 0.000 0.508 53 E N 2.929 123.277 120.200 0.248 0.000 1.993 53 E HA 0.391 4.740 4.350 -0.000 0.000 0.271 53 E C 0.595 177.240 176.600 0.076 0.000 1.008 53 E CA -0.275 56.239 56.400 0.191 0.000 0.814 53 E CB 0.372 30.160 29.700 0.146 0.000 1.098 53 E HN 0.795 nan 8.360 nan 0.000 0.407 54 G N 3.489 112.320 108.800 0.051 0.000 2.503 54 G HA2 0.132 4.092 3.960 -0.000 0.000 0.257 54 G HA3 0.132 4.092 3.960 -0.000 0.000 0.257 54 G C -0.419 174.495 174.900 0.022 0.000 1.214 54 G CA -0.243 44.884 45.100 0.045 0.000 0.839 54 G HN 0.581 nan 8.290 nan 0.000 0.559 55 D N -0.681 119.743 120.400 0.039 0.000 2.744 55 D HA 0.193 4.833 4.640 -0.000 0.000 0.304 55 D C 1.198 177.523 176.300 0.042 0.000 1.179 55 D CA -0.790 53.235 54.000 0.043 0.000 1.024 55 D CB 1.942 42.772 40.800 0.049 0.000 1.453 55 D HN 0.303 nan 8.370 nan 0.000 0.529 56 K N 0.422 120.846 120.400 0.040 0.000 2.077 56 K HA -0.236 4.084 4.320 -0.000 0.000 0.213 56 K C 1.492 178.118 176.600 0.043 0.000 1.051 56 K CA 1.909 58.219 56.287 0.039 0.000 0.929 56 K CB 0.036 32.549 32.500 0.020 0.000 0.715 56 K HN 0.339 nan 8.250 nan 0.000 0.451 57 E N 0.066 120.287 120.200 0.034 0.000 2.118 57 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 57 E C 1.787 178.406 176.600 0.031 0.000 0.992 57 E CA 1.400 57.820 56.400 0.033 0.000 0.804 57 E CB -0.006 29.712 29.700 0.030 0.000 0.741 57 E HN 0.431 nan 8.360 nan 0.000 0.458 58 D N 0.176 120.594 120.400 0.030 0.000 2.117 58 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 58 D C 2.128 178.431 176.300 0.005 0.000 0.982 58 D CA 0.811 54.818 54.000 0.013 0.000 0.828 58 D CB -0.012 40.804 40.800 0.028 0.000 0.967 58 D HN 0.043 nan 8.370 nan 0.000 0.464 59 V N 2.168 122.102 119.914 0.032 0.000 2.332 59 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 59 V C 1.988 178.113 176.094 0.052 0.000 1.055 59 V CA 1.672 63.997 62.300 0.042 0.000 1.038 59 V CB -0.402 31.467 31.823 0.078 0.000 0.651 59 V HN 0.093 nan 8.190 nan 0.000 0.450 60 D N -0.022 120.437 120.400 0.099 0.000 2.117 60 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 60 D C 2.232 178.556 176.300 0.041 0.000 0.987 60 D CA 1.272 55.357 54.000 0.142 0.000 0.829 60 D CB -0.147 40.729 40.800 0.127 0.000 0.961 60 D HN 0.453 nan 8.370 nan 0.000 0.460 61 K N 0.789 121.186 120.400 -0.005 0.000 2.057 61 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 61 K C 2.196 178.739 176.600 -0.096 0.000 1.049 61 K CA 1.149 57.402 56.287 -0.057 0.000 0.931 61 K CB -0.066 32.375 32.500 -0.098 0.000 0.714 61 K HN 0.011 nan 8.250 nan 0.000 0.440 62 A N 0.947 123.707 122.820 -0.099 0.000 1.877 62 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 62 A C 2.383 179.899 177.584 -0.112 0.000 1.186 62 A CA 1.532 53.501 52.037 -0.114 0.000 0.620 62 A CB -0.759 18.189 19.000 -0.086 0.000 0.822 62 A HN 0.071 nan 8.150 nan 0.000 0.443 63 V N 0.267 120.103 119.914 -0.131 0.000 2.343 63 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 63 V C 2.442 178.456 176.094 -0.134 0.000 1.051 63 V CA 2.371 64.549 62.300 -0.204 0.000 1.036 63 V CB -0.716 30.820 31.823 -0.479 0.000 0.654 63 V HN 0.534 nan 8.190 nan 0.000 0.451 64 K N 0.096 120.448 120.400 -0.080 0.000 2.097 64 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 64 K C 2.320 178.901 176.600 -0.032 0.000 1.049 64 K CA 1.361 57.629 56.287 -0.032 0.000 0.933 64 K CB -0.374 32.124 32.500 -0.004 0.000 0.717 64 K HN 0.486 nan 8.250 nan 0.000 0.442 65 A N 1.680 124.465 122.820 -0.058 0.000 1.877 65 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 65 A C 2.398 179.957 177.584 -0.042 0.000 1.186 65 A CA 1.885 53.885 52.037 -0.062 0.000 0.620 65 A CB -0.755 18.179 19.000 -0.110 0.000 0.822 65 A HN 0.324 nan 8.150 nan 0.000 0.443 66 A N -0.091 122.695 122.820 -0.057 0.000 1.851 66 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 66 A C 2.191 179.797 177.584 0.036 0.000 1.195 66 A CA 2.392 54.406 52.037 -0.037 0.000 0.622 66 A CB -0.546 18.406 19.000 -0.080 0.000 0.831 66 A HN 0.475 nan 8.150 nan 0.000 0.444 67 R N 0.196 120.708 120.500 0.020 0.000 2.105 67 R HA -0.085 4.255 4.340 -0.000 0.000 0.239 67 R C 2.052 178.436 176.300 0.140 0.000 1.135 67 R CA 1.998 58.153 56.100 0.091 0.000 0.967 67 R CB -0.850 29.476 30.300 0.044 0.000 0.861 67 R HN 0.430 nan 8.270 nan 0.000 0.442 68 A N 0.010 122.880 122.820 0.082 0.000 1.898 68 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 68 A C 2.324 179.971 177.584 0.105 0.000 1.181 68 A CA 1.572 53.655 52.037 0.077 0.000 0.620 68 A CB -0.945 18.078 19.000 0.039 0.000 0.819 68 A HN 0.469 nan 8.150 nan 0.000 0.442 69 A N -2.150 120.738 122.820 0.113 0.000 2.067 69 A HA 0.082 4.402 4.320 -0.000 0.000 0.219 69 A C 1.726 179.476 177.584 0.277 0.000 1.158 69 A CA 1.197 53.320 52.037 0.144 0.000 0.661 69 A CB -0.527 18.511 19.000 0.064 0.000 0.801 69 A HN 0.580 nan 8.150 nan 0.000 0.452 70 F N 0.258 120.282 119.950 0.125 0.000 2.765 70 F HA 0.204 4.731 4.527 -0.000 0.000 0.302 70 F C 0.690 176.563 175.800 0.122 0.000 1.111 70 F CA -0.217 57.885 58.000 0.171 0.000 1.359 70 F CB 0.161 39.243 39.000 0.137 0.000 1.097 70 F HN 0.083 nan 8.300 nan 0.000 0.577 71 Q N 1.723 121.581 119.800 0.096 0.000 2.330 71 Q HA 0.023 4.363 4.340 -0.000 0.000 0.279 71 Q C -0.173 175.787 176.000 -0.067 0.000 1.024 71 Q CA -0.090 55.724 55.803 0.019 0.000 0.900 71 Q CB 0.792 29.560 28.738 0.050 0.000 1.221 71 Q HN 0.277 nan 8.270 nan 0.000 0.396 72 L N 1.851 123.021 121.223 -0.089 0.000 2.601 72 L HA 0.086 4.426 4.340 -0.000 0.000 0.277 72 L C 1.232 178.072 176.870 -0.049 0.000 1.219 72 L CA 2.179 56.961 54.840 -0.096 0.000 0.915 72 L CB 0.008 42.030 42.059 -0.062 0.000 1.160 72 L HN 0.922 nan 8.230 nan 0.000 0.494 73 G N 1.967 110.737 108.800 -0.050 0.000 2.195 73 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.246 73 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.246 73 G C 0.355 175.254 174.900 -0.001 0.000 0.984 73 G CA 0.338 45.426 45.100 -0.021 0.000 0.633 73 G HN 1.143 nan 8.290 nan 0.000 0.525 74 S N 0.647 116.353 115.700 0.009 0.000 2.589 74 S HA 0.536 5.006 4.470 -0.000 0.000 0.265 74 S C -0.578 174.070 174.600 0.080 0.000 1.342 74 S CA -0.142 58.092 58.200 0.056 0.000 1.005 74 S CB 1.773 65.029 63.200 0.094 0.000 0.909 74 S HN 0.019 nan 8.310 nan 0.000 0.555 75 P HA -0.106 nan 4.420 nan 0.000 0.215 75 P C 1.277 178.704 177.300 0.211 0.000 1.157 75 P CA 1.213 64.394 63.100 0.136 0.000 0.868 75 P CB -0.128 31.660 31.700 0.147 0.000 0.788 76 W N 0.100 121.429 121.300 0.048 0.000 2.425 76 W HA -0.136 4.524 4.660 -0.000 0.000 0.277 76 W C 1.519 178.061 176.519 0.039 0.000 1.231 76 W CA 0.737 58.126 57.345 0.073 0.000 1.248 76 W CB -0.016 29.513 29.460 0.116 0.000 1.117 76 W HN -0.122 nan 8.180 nan 0.000 0.568 77 R N 0.121 120.623 120.500 0.003 0.000 2.100 77 R HA 0.022 4.362 4.340 -0.000 0.000 0.220 77 R C 2.114 178.329 176.300 -0.142 0.000 1.091 77 R CA 0.714 56.714 56.100 -0.167 0.000 0.986 77 R CB -0.633 29.561 30.300 -0.178 0.000 0.888 77 R HN 0.270 nan 8.270 nan 0.000 0.444 78 R N 0.092 120.549 120.500 -0.071 0.000 2.153 78 R HA 0.135 4.475 4.340 -0.000 0.000 0.218 78 R C 1.168 177.428 176.300 -0.066 0.000 1.072 78 R CA -0.094 55.971 56.100 -0.059 0.000 0.990 78 R CB -0.092 30.191 30.300 -0.029 0.000 0.889 78 R HN 0.105 nan 8.270 nan 0.000 0.452 79 M N 2.457 122.016 119.600 -0.068 0.000 2.255 79 M HA -0.092 4.388 4.480 -0.000 0.000 0.356 79 M C -0.762 175.492 176.300 -0.077 0.000 1.338 79 M CA 0.567 55.834 55.300 -0.054 0.000 0.962 79 M CB 0.439 33.027 32.600 -0.019 0.000 1.877 79 M HN -0.047 nan 8.290 nan 0.000 0.463 80 D N 4.435 124.819 120.400 -0.026 0.000 2.455 80 D HA 0.075 4.715 4.640 -0.000 0.000 0.241 80 D C 0.885 177.179 176.300 -0.010 0.000 1.138 80 D CA 0.584 54.578 54.000 -0.011 0.000 0.877 80 D CB 1.112 41.919 40.800 0.013 0.000 1.187 80 D HN 0.778 nan 8.370 nan 0.000 0.451 81 A N 2.635 125.439 122.820 -0.027 0.000 1.948 81 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 81 A C 2.129 179.715 177.584 0.004 0.000 1.177 81 A CA 2.224 54.245 52.037 -0.028 0.000 0.636 81 A CB -0.527 18.477 19.000 0.007 0.000 0.815 81 A HN 0.602 nan 8.150 nan 0.000 0.449 82 S N -1.289 114.429 115.700 0.029 0.000 2.423 82 S HA -0.229 4.241 4.470 -0.000 0.000 0.231 82 S C 1.846 176.473 174.600 0.045 0.000 1.014 82 S CA 1.531 59.752 58.200 0.036 0.000 0.965 82 S CB -0.662 62.562 63.200 0.041 0.000 0.785 82 S HN 0.734 nan 8.310 nan 0.000 0.495 83 H N 1.946 120.993 119.070 -0.037 0.000 2.395 83 H HA 0.210 4.765 4.556 -0.000 0.000 0.299 83 H C 2.277 177.578 175.328 -0.045 0.000 1.070 83 H CA 1.534 57.557 56.048 -0.042 0.000 1.356 83 H CB -0.115 29.619 29.762 -0.047 0.000 1.401 83 H HN 0.356 nan 8.280 nan 0.000 0.524 84 R N -0.625 119.808 120.500 -0.112 0.000 2.127 84 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 84 R C 2.503 178.779 176.300 -0.041 0.000 1.134 84 R CA 1.016 57.061 56.100 -0.090 0.000 0.975 84 R CB -0.528 29.719 30.300 -0.089 0.000 0.865 84 R HN 0.415 nan 8.270 nan 0.000 0.447 85 G N 1.353 110.136 108.800 -0.029 0.000 2.418 85 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 85 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 85 G C 1.459 176.334 174.900 -0.041 0.000 1.158 85 G CA 0.204 45.307 45.100 0.005 0.000 0.771 85 G HN 0.116 nan 8.290 nan 0.000 0.545 86 R N 0.295 120.719 120.500 -0.126 0.000 2.083 86 R HA 0.039 4.379 4.340 -0.000 0.000 0.237 86 R C 2.669 178.856 176.300 -0.188 0.000 1.137 86 R CA 0.687 56.696 56.100 -0.153 0.000 0.951 86 R CB -1.209 28.964 30.300 -0.211 0.000 0.851 86 R HN 0.406 nan 8.270 nan 0.000 0.434 87 L N 0.484 121.500 121.223 -0.346 0.000 2.012 87 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 87 L C 2.571 179.397 176.870 -0.074 0.000 1.073 87 L CA 1.270 55.861 54.840 -0.416 0.000 0.748 87 L CB -0.625 40.858 42.059 -0.959 0.000 0.891 87 L HN 0.133 nan 8.230 nan 0.000 0.431 88 L N -0.209 121.073 121.223 0.099 0.000 2.079 88 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 88 L C 2.420 179.386 176.870 0.161 0.000 1.081 88 L CA 1.102 56.096 54.840 0.257 0.000 0.752 88 L CB -0.563 41.645 42.059 0.248 0.000 0.896 88 L HN 0.398 nan 8.230 nan 0.000 0.433 89 N N -0.205 118.546 118.700 0.085 0.000 2.216 89 N HA -0.172 4.568 4.740 -0.000 0.000 0.183 89 N C 1.938 177.487 175.510 0.066 0.000 1.017 89 N CA 0.841 53.932 53.050 0.069 0.000 0.861 89 N CB -0.147 38.361 38.487 0.036 0.000 0.986 89 N HN 0.190 nan 8.380 nan 0.000 0.428 90 R N 1.437 121.965 120.500 0.048 0.000 2.073 90 R HA -0.031 4.309 4.340 -0.000 0.000 0.234 90 R C 2.073 178.428 176.300 0.092 0.000 1.134 90 R CA 0.887 57.016 56.100 0.049 0.000 0.952 90 R CB -0.947 29.359 30.300 0.010 0.000 0.850 90 R HN 0.152 nan 8.270 nan 0.000 0.433 91 L N 0.283 121.596 121.223 0.149 0.000 2.079 91 L HA 0.013 4.353 4.340 -0.000 0.000 0.210 91 L C 2.094 179.034 176.870 0.117 0.000 1.081 91 L CA 2.248 57.188 54.840 0.167 0.000 0.752 91 L CB -0.944 41.264 42.059 0.247 0.000 0.896 91 L HN 0.288 nan 8.230 nan 0.000 0.433 92 A N -0.963 121.925 122.820 0.115 0.000 1.930 92 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 92 A C 1.960 179.593 177.584 0.082 0.000 1.175 92 A CA 1.694 53.789 52.037 0.097 0.000 0.627 92 A CB -0.738 18.322 19.000 0.101 0.000 0.815 92 A HN 0.518 nan 8.150 nan 0.000 0.443 93 D N 0.149 120.595 120.400 0.076 0.000 2.144 93 D HA -0.099 4.541 4.640 -0.000 0.000 0.199 93 D C 1.924 178.267 176.300 0.072 0.000 0.984 93 D CA 0.957 54.997 54.000 0.067 0.000 0.834 93 D CB -0.303 40.531 40.800 0.057 0.000 0.955 93 D HN 0.466 nan 8.370 nan 0.000 0.465 94 L N 0.367 121.637 121.223 0.077 0.000 2.056 94 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 94 L C 2.517 179.451 176.870 0.107 0.000 1.078 94 L CA 0.659 55.549 54.840 0.082 0.000 0.749 94 L CB -0.271 41.830 42.059 0.070 0.000 0.901 94 L HN 0.008 nan 8.230 nan 0.000 0.433 95 I N -0.046 120.588 120.570 0.106 0.000 2.286 95 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 95 I C 2.571 178.751 176.117 0.105 0.000 1.115 95 I CA 1.454 62.828 61.300 0.123 0.000 1.392 95 I CB -0.244 37.815 38.000 0.099 0.000 1.065 95 I HN 0.370 nan 8.210 nan 0.000 0.418 96 E N 1.267 121.515 120.200 0.079 0.000 2.150 96 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 96 E C 2.378 179.031 176.600 0.088 0.000 0.985 96 E CA 0.808 57.245 56.400 0.061 0.000 0.814 96 E CB 0.001 29.733 29.700 0.052 0.000 0.752 96 E HN 0.265 nan 8.360 nan 0.000 0.466 97 R N 0.370 120.929 120.500 0.099 0.000 2.073 97 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 97 R C 0.365 176.747 176.300 0.136 0.000 1.134 97 R CA 1.785 57.948 56.100 0.105 0.000 0.952 97 R CB -0.004 30.349 30.300 0.089 0.000 0.850 97 R HN 0.126 nan 8.270 nan 0.000 0.433 98 D N 0.138 120.639 120.400 0.168 0.000 2.561 98 D HA 0.024 4.664 4.640 -0.000 0.000 0.232 98 D C 1.008 177.459 176.300 0.251 0.000 1.198 98 D CA -0.009 54.127 54.000 0.227 0.000 0.826 98 D CB 0.264 41.246 40.800 0.304 0.000 0.992 98 D HN 0.257 nan 8.370 nan 0.000 0.490 99 R N 0.319 120.932 120.500 0.187 0.000 2.082 99 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 99 R C 1.468 177.917 176.300 0.247 0.000 1.136 99 R CA 1.640 57.810 56.100 0.118 0.000 0.935 99 R CB -0.136 30.150 30.300 -0.024 0.000 0.842 99 R HN -0.009 nan 8.270 nan 0.000 0.430 100 T N 0.272 115.087 114.554 0.436 0.000 2.759 100 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 100 T C 1.386 176.348 174.700 0.437 0.000 1.042 100 T CA 1.715 64.147 62.100 0.553 0.000 1.140 100 T CB -0.513 68.608 68.868 0.422 0.000 0.864 100 T HN 0.431 nan 8.240 nan 0.000 0.455 101 Y N 1.705 122.131 120.300 0.210 0.000 2.109 101 Y HA -0.026 4.524 4.550 -0.000 0.000 0.285 101 Y C 2.048 178.017 175.900 0.114 0.000 1.131 101 Y CA 1.065 59.239 58.100 0.124 0.000 1.121 101 Y CB -0.637 37.835 38.460 0.019 0.000 0.987 101 Y HN 0.087 nan 8.280 nan 0.000 0.495 102 L N 0.079 121.284 121.223 -0.030 0.000 2.127 102 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 102 L C 2.765 179.609 176.870 -0.043 0.000 1.089 102 L CA 1.161 55.933 54.840 -0.115 0.000 0.757 102 L CB -0.898 41.224 42.059 0.106 0.000 0.899 102 L HN 0.429 nan 8.230 nan 0.000 0.434 103 A N -0.165 122.705 122.820 0.084 0.000 1.902 103 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 103 A C 2.518 180.239 177.584 0.228 0.000 1.181 103 A CA 1.677 53.775 52.037 0.100 0.000 0.623 103 A CB -0.626 18.427 19.000 0.088 0.000 0.818 103 A HN 0.405 nan 8.150 nan 0.000 0.443 104 A N -0.441 122.604 122.820 0.376 0.000 1.855 104 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 104 A C 2.097 179.782 177.584 0.167 0.000 1.191 104 A CA 1.698 53.983 52.037 0.414 0.000 0.613 104 A CB -0.742 18.419 19.000 0.269 0.000 0.829 104 A HN 0.685 nan 8.150 nan 0.000 0.442 105 L N 0.056 121.208 121.223 -0.117 0.000 2.127 105 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 105 L C 2.179 179.011 176.870 -0.062 0.000 1.089 105 L CA 2.746 57.475 54.840 -0.186 0.000 0.757 105 L CB -0.756 41.011 42.059 -0.487 0.000 0.899 105 L HN 0.552 nan 8.230 nan 0.000 0.434 106 E N -1.123 119.052 120.200 -0.041 0.000 2.028 106 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 106 E C 2.070 178.651 176.600 -0.032 0.000 0.988 106 E CA 1.999 58.386 56.400 -0.021 0.000 0.799 106 E CB -0.385 29.305 29.700 -0.017 0.000 0.755 106 E HN 0.465 nan 8.360 nan 0.000 0.447 107 T N 0.848 115.376 114.554 -0.043 0.000 2.746 107 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 107 T C 1.701 176.344 174.700 -0.095 0.000 1.039 107 T CA 1.181 63.191 62.100 -0.150 0.000 1.142 107 T CB -0.379 68.260 68.868 -0.381 0.000 0.866 107 T HN 0.112 nan 8.240 nan 0.000 0.444 108 L N 1.311 122.572 121.223 0.063 0.000 2.042 108 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 108 L C 1.951 178.850 176.870 0.048 0.000 1.076 108 L CA 1.915 56.843 54.840 0.147 0.000 0.749 108 L CB -0.401 41.751 42.059 0.155 0.000 0.893 108 L HN 0.096 nan 8.230 nan 0.000 0.432 109 D N -1.984 118.425 120.400 0.015 0.000 2.327 109 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 109 D C 1.799 178.093 176.300 -0.010 0.000 0.989 109 D CA 0.412 54.416 54.000 0.007 0.000 0.873 109 D CB 0.105 40.914 40.800 0.015 0.000 0.955 109 D HN 0.422 nan 8.370 nan 0.000 0.515 110 N N -0.603 118.078 118.700 -0.031 0.000 2.436 110 N HA -0.021 4.719 4.740 -0.000 0.000 0.178 110 N C 1.364 176.815 175.510 -0.099 0.000 1.026 110 N CA 1.506 54.526 53.050 -0.050 0.000 0.880 110 N CB 0.927 39.381 38.487 -0.055 0.000 1.061 110 N HN 0.235 nan 8.380 nan 0.000 0.434 111 G N 1.457 110.186 108.800 -0.118 0.000 2.259 111 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 111 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 111 G C -0.072 174.725 174.900 -0.173 0.000 1.001 111 G CA 0.342 45.349 45.100 -0.156 0.000 0.627 111 G HN 0.638 nan 8.290 nan 0.000 0.501 112 K N 1.277 121.571 120.400 -0.177 0.000 2.414 112 K HA 0.441 4.761 4.320 -0.000 0.000 0.272 112 K C -2.685 173.817 176.600 -0.164 0.000 0.993 112 K CA -1.119 55.057 56.287 -0.184 0.000 0.964 112 K CB 0.427 32.795 32.500 -0.219 0.000 0.925 112 K HN 0.096 nan 8.250 nan 0.000 0.487 113 P HA -0.117 nan 4.420 nan 0.000 0.264 113 P C -0.313 176.947 177.300 -0.066 0.000 1.193 113 P CA -0.004 63.050 63.100 -0.077 0.000 0.763 113 P CB 0.148 31.846 31.700 -0.004 0.000 0.810 114 Y N 4.716 124.875 120.300 -0.235 0.000 2.207 114 Y HA -0.264 4.286 4.550 -0.000 0.000 0.287 114 Y C 1.742 177.656 175.900 0.022 0.000 1.156 114 Y CA 1.724 59.733 58.100 -0.152 0.000 1.182 114 Y CB -0.762 37.596 38.460 -0.170 0.000 0.979 114 Y HN 0.079 nan 8.280 nan 0.000 0.521 115 V N 0.439 120.360 119.914 0.011 0.000 2.332 115 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 115 V C 2.318 178.407 176.094 -0.009 0.000 1.055 115 V CA 1.822 64.113 62.300 -0.016 0.000 1.038 115 V CB -0.661 31.211 31.823 0.081 0.000 0.651 115 V HN 0.447 nan 8.190 nan 0.000 0.450 116 I N -0.207 120.377 120.570 0.023 0.000 2.353 116 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 116 I C 2.550 178.693 176.117 0.042 0.000 1.119 116 I CA 1.271 62.623 61.300 0.087 0.000 1.417 116 I CB -1.322 36.751 38.000 0.121 0.000 1.078 116 I HN 0.264 nan 8.210 nan 0.000 0.421 117 S N 0.125 115.795 115.700 -0.050 0.000 2.368 117 S HA -0.210 4.260 4.470 -0.000 0.000 0.225 117 S C 2.027 176.572 174.600 -0.092 0.000 1.030 117 S CA 1.267 59.426 58.200 -0.068 0.000 0.999 117 S CB -0.368 62.773 63.200 -0.099 0.000 0.844 117 S HN 0.433 nan 8.310 nan 0.000 0.459 118 Y N 1.661 121.769 120.300 -0.320 0.000 2.130 118 Y HA 0.060 4.610 4.550 -0.000 0.000 0.287 118 Y C 1.932 177.769 175.900 -0.105 0.000 1.124 118 Y CA 1.365 59.301 58.100 -0.272 0.000 1.118 118 Y CB -0.206 37.964 38.460 -0.482 0.000 0.994 118 Y HN 0.107 nan 8.280 nan 0.000 0.497 119 L N -1.289 120.009 121.223 0.125 0.000 2.313 119 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 119 L C 1.571 178.479 176.870 0.063 0.000 1.119 119 L CA 0.448 55.353 54.840 0.109 0.000 0.809 119 L CB -0.218 41.924 42.059 0.138 0.000 0.933 119 L HN 0.188 nan 8.230 nan 0.000 0.449 120 V N -1.300 118.661 119.914 0.078 0.000 2.939 120 V HA -0.039 4.081 4.120 -0.000 0.000 0.228 120 V C 1.581 177.728 176.094 0.088 0.000 1.162 120 V CA 0.708 63.078 62.300 0.117 0.000 1.222 120 V CB -0.158 31.806 31.823 0.236 0.000 1.053 120 V HN 0.132 nan 8.190 nan 0.000 0.504 121 D N 0.665 121.125 120.400 0.100 0.000 2.126 121 D HA -0.225 4.415 4.640 -0.000 0.000 0.190 121 D C 1.966 178.267 176.300 0.001 0.000 1.001 121 D CA 1.789 55.829 54.000 0.067 0.000 0.841 121 D CB -0.179 40.666 40.800 0.075 0.000 0.949 121 D HN 0.217 nan 8.370 nan 0.000 0.446 122 L N -0.074 121.118 121.223 -0.052 0.000 2.156 122 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 122 L C 1.792 178.618 176.870 -0.073 0.000 1.095 122 L CA 0.999 55.787 54.840 -0.087 0.000 0.770 122 L CB -0.134 41.813 42.059 -0.186 0.000 0.914 122 L HN 0.012 nan 8.230 nan 0.000 0.439 123 D N -0.384 119.974 120.400 -0.070 0.000 2.117 123 D HA -0.208 4.432 4.640 -0.000 0.000 0.198 123 D C 2.244 178.560 176.300 0.028 0.000 0.982 123 D CA 1.429 55.412 54.000 -0.028 0.000 0.828 123 D CB 0.077 40.871 40.800 -0.009 0.000 0.967 123 D HN 0.177 nan 8.370 nan 0.000 0.464 124 M N -0.417 119.210 119.600 0.045 0.000 2.296 124 M HA -0.092 4.388 4.480 -0.000 0.000 0.265 124 M C 2.118 178.485 176.300 0.113 0.000 1.064 124 M CA 0.542 55.896 55.300 0.091 0.000 1.109 124 M CB 0.051 32.704 32.600 0.088 0.000 1.396 124 M HN 0.000 nan 8.290 nan 0.000 0.430 125 V N 0.941 120.892 119.914 0.063 0.000 2.307 125 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 125 V C 2.301 178.460 176.094 0.108 0.000 1.045 125 V CA 1.537 63.883 62.300 0.076 0.000 1.024 125 V CB -0.539 31.305 31.823 0.034 0.000 0.651 125 V HN 0.436 nan 8.190 nan 0.000 0.449 126 L N -0.515 120.755 121.223 0.078 0.000 2.017 126 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 126 L C 2.562 179.502 176.870 0.116 0.000 1.073 126 L CA 1.758 56.649 54.840 0.084 0.000 0.745 126 L CB -0.636 41.451 42.059 0.047 0.000 0.894 126 L HN 0.249 nan 8.230 nan 0.000 0.432 127 K N -0.882 119.587 120.400 0.115 0.000 2.147 127 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 127 K C 2.283 179.001 176.600 0.196 0.000 1.049 127 K CA 1.437 57.803 56.287 0.131 0.000 0.936 127 K CB -0.390 32.170 32.500 0.099 0.000 0.722 127 K HN 0.407 nan 8.250 nan 0.000 0.446 128 C N 1.015 120.461 119.300 0.242 0.000 2.476 128 C HA -0.000 4.460 4.460 -0.000 0.000 0.278 128 C C 2.397 177.644 174.990 0.428 0.000 1.274 128 C CA 0.381 59.618 59.018 0.366 0.000 1.713 128 C CB -0.865 27.150 27.740 0.458 0.000 2.039 128 C HN 0.400 nan 8.230 nan 0.000 0.484 129 L N 0.365 121.772 121.223 0.308 0.000 2.046 129 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 129 L C 2.996 180.017 176.870 0.251 0.000 1.077 129 L CA 1.757 56.761 54.840 0.274 0.000 0.747 129 L CB -0.661 41.511 42.059 0.188 0.000 0.896 129 L HN 0.356 nan 8.230 nan 0.000 0.432 130 R N -1.522 119.099 120.500 0.201 0.000 2.115 130 R HA -0.178 4.162 4.340 -0.000 0.000 0.226 130 R C 2.225 178.601 176.300 0.126 0.000 1.100 130 R CA 1.179 57.364 56.100 0.142 0.000 0.980 130 R CB -0.357 30.008 30.300 0.108 0.000 0.875 130 R HN 0.262 nan 8.270 nan 0.000 0.445 131 Y N 0.091 120.416 120.300 0.040 0.000 2.114 131 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 131 Y C 1.610 177.449 175.900 -0.101 0.000 1.143 131 Y CA 1.470 59.523 58.100 -0.078 0.000 1.135 131 Y CB -0.428 37.960 38.460 -0.119 0.000 0.980 131 Y HN -0.008 nan 8.280 nan 0.000 0.499 132 Y N -0.248 120.153 120.300 0.168 0.000 2.352 132 Y HA -0.145 4.405 4.550 -0.000 0.000 0.292 132 Y C 2.611 178.562 175.900 0.085 0.000 1.136 132 Y CA 1.034 59.220 58.100 0.143 0.000 1.227 132 Y CB -0.642 37.940 38.460 0.205 0.000 0.991 132 Y HN 0.270 nan 8.280 nan 0.000 0.545 133 A N 0.044 122.967 122.820 0.173 0.000 1.940 133 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 133 A C 2.533 180.130 177.584 0.022 0.000 1.176 133 A CA 1.753 53.857 52.037 0.111 0.000 0.631 133 A CB -1.429 17.622 19.000 0.085 0.000 0.814 133 A HN 0.471 nan 8.150 nan 0.000 0.446 134 G N -2.169 106.570 108.800 -0.102 0.000 2.443 134 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 134 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 134 G C 1.367 176.119 174.900 -0.247 0.000 1.131 134 G CA 0.737 45.697 45.100 -0.232 0.000 0.775 134 G HN 0.693 nan 8.290 nan 0.000 0.547 135 W N 0.668 121.846 121.300 -0.203 0.000 2.584 135 W HA 0.274 4.934 4.660 -0.000 0.000 0.264 135 W C 2.788 179.278 176.519 -0.048 0.000 1.264 135 W CA 0.169 57.422 57.345 -0.155 0.000 1.306 135 W CB 0.293 29.645 29.460 -0.180 0.000 1.110 135 W HN 0.263 nan 8.180 nan 0.000 0.606 136 A N 1.164 124.118 122.820 0.224 0.000 1.915 136 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 136 A C 1.290 178.948 177.584 0.123 0.000 1.198 136 A CA 2.405 54.533 52.037 0.151 0.000 0.647 136 A CB -0.876 18.181 19.000 0.095 0.000 0.825 136 A HN 0.358 nan 8.150 nan 0.000 0.456 137 D N -2.232 118.227 120.400 0.099 0.000 2.643 137 D HA 0.245 4.885 4.640 -0.000 0.000 0.244 137 D C 0.401 176.749 176.300 0.080 0.000 1.257 137 D CA -0.075 53.975 54.000 0.083 0.000 0.831 137 D CB 0.099 40.933 40.800 0.057 0.000 1.043 137 D HN 0.478 nan 8.370 nan 0.000 0.488 138 K N -0.606 119.861 120.400 0.111 0.000 2.517 138 K HA 0.052 4.372 4.320 -0.000 0.000 0.210 138 K C -0.588 175.932 176.600 -0.132 0.000 1.166 138 K CA -0.499 55.774 56.287 -0.023 0.000 1.030 138 K CB 0.877 33.400 32.500 0.038 0.000 0.974 138 K HN -0.013 nan 8.250 nan 0.000 0.585 139 Y N 2.764 123.000 120.300 -0.107 0.000 2.691 139 Y HA 0.174 4.724 4.550 -0.000 0.000 0.338 139 Y C -0.327 175.505 175.900 -0.112 0.000 1.148 139 Y CA -1.140 56.896 58.100 -0.106 0.000 1.430 139 Y CB -0.629 37.813 38.460 -0.030 0.000 1.303 139 Y HN 0.082 nan 8.280 nan 0.000 0.499 140 H N 1.349 120.362 119.070 -0.095 0.000 2.607 140 H HA 0.475 5.031 4.556 -0.000 0.000 0.367 140 H C 0.851 175.854 175.328 -0.541 0.000 1.181 140 H CA 0.029 55.949 56.048 -0.213 0.000 1.402 140 H CB 0.853 30.548 29.762 -0.112 0.000 1.474 140 H HN 0.722 nan 8.280 nan 0.000 0.596 141 G N 0.024 108.600 108.800 -0.373 0.000 2.606 141 G HA2 0.505 4.465 3.960 -0.000 0.000 0.262 141 G HA3 0.505 4.465 3.960 -0.000 0.000 0.262 141 G C -0.873 173.884 174.900 -0.239 0.000 1.394 141 G CA -0.882 43.851 45.100 -0.612 0.000 1.044 141 G HN 0.536 nan 8.290 nan 0.000 0.553 142 K N -0.516 119.807 120.400 -0.128 0.000 2.469 142 K HA 0.504 4.824 4.320 -0.000 0.000 0.254 142 K C -1.132 175.490 176.600 0.035 0.000 0.939 142 K CA -0.701 55.565 56.287 -0.034 0.000 0.812 142 K CB 2.205 34.694 32.500 -0.018 0.000 1.301 142 K HN 0.598 nan 8.250 nan 0.000 0.433 143 T N -0.522 114.071 114.554 0.065 0.000 2.756 143 T HA 0.522 4.872 4.350 -0.000 0.000 0.290 143 T C 0.063 174.832 174.700 0.115 0.000 0.985 143 T CA -0.709 61.480 62.100 0.148 0.000 0.955 143 T CB -0.180 68.822 68.868 0.223 0.000 0.930 143 T HN 0.376 nan 8.240 nan 0.000 0.451 144 I N 5.789 126.417 120.570 0.097 0.000 2.331 144 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 144 I C -1.626 174.549 176.117 0.097 0.000 0.998 144 I CA -2.703 58.637 61.300 0.068 0.000 1.267 144 I CB 1.836 39.847 38.000 0.019 0.000 1.386 144 I HN 0.475 nan 8.210 nan 0.000 0.476 145 P HA 0.134 nan 4.420 nan 0.000 0.225 145 P C 0.080 177.425 177.300 0.076 0.000 1.768 145 P CA 0.083 63.235 63.100 0.087 0.000 0.943 145 P CB 0.062 31.799 31.700 0.062 0.000 1.936 146 I N 0.774 121.393 120.570 0.083 0.000 2.938 146 I HA 0.034 4.204 4.170 -0.000 0.000 0.285 146 I C 0.238 176.418 176.117 0.105 0.000 1.182 146 I CA 0.008 61.344 61.300 0.061 0.000 1.388 146 I CB 0.633 38.645 38.000 0.021 0.000 1.390 146 I HN -0.002 nan 8.210 nan 0.000 0.600 147 D N 4.546 124.997 120.400 0.085 0.000 2.372 147 D HA 0.469 5.109 4.640 -0.000 0.000 0.243 147 D C 0.313 176.758 176.300 0.240 0.000 1.121 147 D CA 1.095 55.165 54.000 0.117 0.000 0.898 147 D CB 1.079 41.924 40.800 0.075 0.000 1.202 147 D HN 0.941 nan 8.370 nan 0.000 0.428 148 G N 1.720 110.652 108.800 0.219 0.000 2.710 148 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.668 148 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.668 148 G C -0.853 174.123 174.900 0.127 0.000 1.320 148 G CA -0.808 44.449 45.100 0.262 0.000 0.860 148 G HN 0.479 nan 8.290 nan 0.000 0.538 149 D N 0.975 121.238 120.400 -0.228 0.000 2.619 149 D HA 0.496 5.136 4.640 -0.000 0.000 0.224 149 D C -0.106 175.815 176.300 -0.632 0.000 1.133 149 D CA 0.880 54.680 54.000 -0.333 0.000 1.017 149 D CB -0.425 40.191 40.800 -0.307 0.000 1.077 149 D HN 0.267 nan 8.370 nan 0.000 0.503 150 F N 0.362 120.357 119.950 0.074 0.000 2.629 150 F HA 0.443 4.970 4.527 -0.000 0.000 0.316 150 F C -0.422 175.498 175.800 0.199 0.000 1.081 150 F CA -1.448 56.616 58.000 0.107 0.000 0.954 150 F CB 1.691 40.728 39.000 0.061 0.000 1.337 150 F HN -0.142 nan 8.300 nan 0.000 0.474 151 F N 1.849 121.947 119.950 0.247 0.000 2.460 151 F HA 0.670 5.197 4.527 -0.000 0.000 0.341 151 F C -0.745 175.171 175.800 0.194 0.000 1.130 151 F CA -1.122 56.989 58.000 0.185 0.000 0.962 151 F CB 1.209 40.306 39.000 0.162 0.000 1.171 151 F HN 0.262 nan 8.300 nan 0.000 0.436 152 S N 6.557 122.237 115.700 -0.033 0.000 2.500 152 S HA 0.825 5.295 4.470 -0.000 0.000 0.301 152 S C -1.441 173.006 174.600 -0.254 0.000 1.092 152 S CA -0.278 57.770 58.200 -0.253 0.000 1.030 152 S CB 0.773 63.902 63.200 -0.117 0.000 1.031 152 S HN 0.700 nan 8.310 nan 0.000 0.483 153 Y N 0.045 120.087 120.300 -0.430 0.000 2.670 153 Y HA 0.788 5.338 4.550 -0.000 0.000 0.334 153 Y C -0.529 175.252 175.900 -0.198 0.000 1.185 153 Y CA -1.031 56.886 58.100 -0.305 0.000 1.053 153 Y CB 0.823 39.043 38.460 -0.401 0.000 1.298 153 Y HN 0.559 nan 8.280 nan 0.000 0.459 154 T N -0.428 114.171 114.554 0.076 0.000 2.908 154 T HA 0.759 5.109 4.350 -0.000 0.000 0.290 154 T C -0.988 173.756 174.700 0.073 0.000 1.034 154 T CA -1.093 61.011 62.100 0.007 0.000 1.010 154 T CB 2.014 70.884 68.868 0.004 0.000 1.068 154 T HN 0.827 nan 8.240 nan 0.000 0.481 155 R N 0.776 121.321 120.500 0.075 0.000 2.480 155 R HA 0.339 4.679 4.340 -0.000 0.000 0.306 155 R C -0.689 175.726 176.300 0.191 0.000 0.958 155 R CA -0.687 55.471 56.100 0.097 0.000 0.861 155 R CB 1.335 31.705 30.300 0.117 0.000 1.171 155 R HN 0.752 nan 8.270 nan 0.000 0.445 156 H N 2.343 121.450 119.070 0.061 0.000 2.872 156 H HA 0.127 4.683 4.556 -0.000 0.000 0.273 156 H C -0.316 175.083 175.328 0.118 0.000 1.205 156 H CA -0.391 55.713 56.048 0.092 0.000 1.342 156 H CB 0.926 30.753 29.762 0.108 0.000 1.469 156 H HN 0.375 nan 8.280 nan 0.000 0.487 157 E N 4.210 124.542 120.200 0.220 0.000 2.250 157 E HA 0.235 4.584 4.350 -0.000 0.000 0.265 157 E C -2.447 174.273 176.600 0.201 0.000 1.033 157 E CA -2.300 54.206 56.400 0.178 0.000 0.888 157 E CB 0.973 30.760 29.700 0.144 0.000 1.151 157 E HN 0.376 nan 8.360 nan 0.000 0.412 158 P HA -0.056 nan 4.420 nan 0.000 0.272 158 P C 0.532 177.984 177.300 0.253 0.000 1.223 158 P CA -0.092 63.185 63.100 0.295 0.000 0.784 158 P CB 0.716 32.712 31.700 0.494 0.000 0.923 159 V N 1.484 121.478 119.914 0.134 0.000 2.667 159 V HA 0.081 4.201 4.120 -0.000 0.000 0.252 159 V C 1.068 177.112 176.094 -0.084 0.000 1.065 159 V CA 2.646 64.969 62.300 0.039 0.000 1.083 159 V CB -1.091 30.728 31.823 -0.006 0.000 0.692 159 V HN 0.969 nan 8.190 nan 0.000 0.468 160 G N -0.886 107.719 108.800 -0.324 0.000 2.390 160 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.202 160 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.202 160 G C -0.468 173.978 174.900 -0.757 0.000 1.210 160 G CA -0.229 44.258 45.100 -1.022 0.000 1.271 160 G HN 0.544 nan 8.290 nan 0.000 0.543 161 V N 1.132 120.754 119.914 -0.486 0.000 2.405 161 V HA 0.416 4.536 4.120 -0.000 0.000 0.264 161 V C 0.395 176.401 176.094 -0.147 0.000 1.048 161 V CA -0.221 61.916 62.300 -0.272 0.000 0.966 161 V CB 0.392 32.091 31.823 -0.206 0.000 1.015 161 V HN 0.806 nan 8.190 nan 0.000 0.477 162 C N 5.062 124.313 119.300 -0.080 0.000 2.255 162 C HA 0.665 5.125 4.460 -0.000 0.000 0.326 162 C C 1.109 176.105 174.990 0.011 0.000 1.258 162 C CA -0.886 58.137 59.018 0.008 0.000 1.676 162 C CB 0.132 27.956 27.740 0.141 0.000 2.314 162 C HN 1.008 nan 8.230 nan 0.000 0.509 163 G N 3.265 112.073 108.800 0.013 0.000 2.353 163 G HA2 0.519 4.479 3.960 -0.000 0.000 0.284 163 G HA3 0.519 4.479 3.960 -0.000 0.000 0.284 163 G C -0.802 174.135 174.900 0.061 0.000 1.172 163 G CA -0.110 45.004 45.100 0.023 0.000 0.854 163 G HN 0.807 nan 8.290 nan 0.000 0.485 164 Q N 1.413 121.249 119.800 0.060 0.000 2.292 164 Q HA 0.406 4.746 4.340 -0.000 0.000 0.270 164 Q C -0.815 175.231 176.000 0.076 0.000 1.024 164 Q CA -0.458 55.391 55.803 0.077 0.000 0.768 164 Q CB 2.805 31.580 28.738 0.063 0.000 1.250 164 Q HN 0.521 nan 8.270 nan 0.000 0.447 165 I N 4.884 125.516 120.570 0.104 0.000 2.355 165 I HA 0.438 4.608 4.170 -0.000 0.000 0.288 165 I C -0.162 175.959 176.117 0.007 0.000 0.999 165 I CA -0.792 60.581 61.300 0.123 0.000 1.163 165 I CB 0.829 39.016 38.000 0.312 0.000 1.316 165 I HN 0.528 nan 8.210 nan 0.000 0.454 166 I N 5.712 126.282 120.570 0.000 0.000 2.603 166 I HA 0.695 4.865 4.170 -0.000 0.000 0.300 166 I C -2.504 173.575 176.117 -0.063 0.000 1.017 166 I CA -2.198 59.065 61.300 -0.061 0.000 1.098 166 I CB 1.928 39.912 38.000 -0.026 0.000 1.279 166 I HN 0.234 nan 8.210 nan 0.000 0.437 167 P HA 0.068 nan 4.420 nan 0.000 0.302 167 P C -0.151 177.075 177.300 -0.124 0.000 1.301 167 P CA 0.073 63.029 63.100 -0.241 0.000 0.745 167 P CB 0.477 31.922 31.700 -0.425 0.000 1.331 168 W N -0.337 120.974 121.300 0.019 0.000 2.975 168 W HA 0.061 4.721 4.660 -0.000 0.000 0.316 168 W C 1.040 177.512 176.519 -0.079 0.000 1.131 168 W CA 0.224 57.564 57.345 -0.008 0.000 1.624 168 W CB -1.668 27.796 29.460 0.007 0.000 1.038 168 W HN 0.185 nan 8.180 nan 0.000 0.571 169 N N 2.367 120.858 118.700 -0.349 0.000 2.149 169 N HA -0.210 4.530 4.740 -0.000 0.000 0.188 169 N C -0.092 174.988 175.510 -0.717 0.000 1.019 169 N CA 1.138 53.925 53.050 -0.439 0.000 0.857 169 N CB -1.182 36.945 38.487 -0.601 0.000 0.997 169 N HN 0.131 nan 8.380 nan 0.000 0.426 170 F N -0.756 119.096 119.950 -0.163 0.000 2.872 170 F HA 0.409 4.936 4.527 -0.000 0.000 0.365 170 F C -1.866 173.833 175.800 -0.169 0.000 1.296 170 F CA -2.041 55.845 58.000 -0.191 0.000 1.199 170 F CB 2.233 41.042 39.000 -0.319 0.000 1.687 170 F HN -0.196 nan 8.300 nan 0.000 0.604 171 P HA -0.212 nan 4.420 nan 0.000 0.211 171 P C 1.938 179.239 177.300 0.002 0.000 1.181 171 P CA 1.707 64.824 63.100 0.028 0.000 0.929 171 P CB 0.395 32.124 31.700 0.048 0.000 0.789 172 L N -1.925 119.301 121.223 0.004 0.000 2.017 172 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 172 L C 2.488 179.316 176.870 -0.070 0.000 1.073 172 L CA 1.080 55.914 54.840 -0.009 0.000 0.745 172 L CB -1.049 41.016 42.059 0.011 0.000 0.894 172 L HN -0.015 nan 8.230 nan 0.000 0.432 173 L N -0.881 120.259 121.223 -0.137 0.000 2.046 173 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 173 L C 2.478 179.024 176.870 -0.539 0.000 1.077 173 L CA 1.767 56.384 54.840 -0.372 0.000 0.747 173 L CB -0.403 41.327 42.059 -0.547 0.000 0.896 173 L HN 0.184 nan 8.230 nan 0.000 0.432 174 M N -1.021 118.359 119.600 -0.366 0.000 2.159 174 M HA -0.228 4.252 4.480 -0.000 0.000 0.263 174 M C 2.243 178.500 176.300 -0.072 0.000 1.063 174 M CA 1.544 56.702 55.300 -0.237 0.000 1.110 174 M CB -1.123 31.401 32.600 -0.127 0.000 1.374 174 M HN 0.508 nan 8.290 nan 0.000 0.411 175 Q N -0.293 119.470 119.800 -0.062 0.000 2.079 175 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 175 Q C 2.008 178.005 176.000 -0.005 0.000 0.974 175 Q CA 1.699 57.486 55.803 -0.026 0.000 0.840 175 Q CB 0.041 28.763 28.738 -0.026 0.000 0.898 175 Q HN 0.468 nan 8.270 nan 0.000 0.430 176 A N 0.184 123.009 122.820 0.008 0.000 1.877 176 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 176 A C 1.535 179.243 177.584 0.207 0.000 1.186 176 A CA 1.272 53.364 52.037 0.091 0.000 0.620 176 A CB -1.147 17.923 19.000 0.118 0.000 0.822 176 A HN 0.613 nan 8.150 nan 0.000 0.443 177 W N 0.250 121.531 121.300 -0.032 0.000 2.421 177 W HA -0.025 4.635 4.660 -0.000 0.000 0.270 177 W C 2.030 178.479 176.519 -0.116 0.000 1.233 177 W CA 1.208 58.528 57.345 -0.042 0.000 1.226 177 W CB -0.175 29.276 29.460 -0.015 0.000 1.121 177 W HN 0.244 nan 8.180 nan 0.000 0.579 178 K N -0.456 120.008 120.400 0.107 0.000 2.141 178 K HA 0.124 4.444 4.320 -0.000 0.000 0.202 178 K C 2.063 178.546 176.600 -0.194 0.000 1.045 178 K CA 0.593 56.865 56.287 -0.025 0.000 0.971 178 K CB -0.888 31.625 32.500 0.021 0.000 0.795 178 K HN 0.186 nan 8.250 nan 0.000 0.459 179 L N 0.429 121.567 121.223 -0.142 0.000 2.056 179 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 179 L C 2.443 179.189 176.870 -0.207 0.000 1.078 179 L CA 1.325 56.056 54.840 -0.183 0.000 0.749 179 L CB -1.111 40.858 42.059 -0.150 0.000 0.901 179 L HN 0.247 nan 8.230 nan 0.000 0.433 180 G N 1.539 110.226 108.800 -0.188 0.000 2.721 180 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 180 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 180 G C -0.487 174.124 174.900 -0.482 0.000 1.265 180 G CA 1.262 46.224 45.100 -0.231 0.000 0.796 180 G HN 0.306 nan 8.290 nan 0.000 0.620 181 P HA -0.030 nan 4.420 nan 0.000 0.218 181 P C 1.980 178.955 177.300 -0.542 0.000 1.149 181 P CA 2.062 64.711 63.100 -0.751 0.000 0.817 181 P CB -0.149 31.113 31.700 -0.729 0.000 0.785 182 A N 0.594 122.946 122.820 -0.781 0.000 1.855 182 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 182 A C 2.480 179.997 177.584 -0.111 0.000 1.191 182 A CA 1.399 53.042 52.037 -0.657 0.000 0.613 182 A CB -1.580 17.014 19.000 -0.678 0.000 0.829 182 A HN 0.101 nan 8.150 nan 0.000 0.442 183 L N -0.716 120.503 121.223 -0.007 0.000 2.083 183 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 183 L C 3.060 180.137 176.870 0.346 0.000 1.083 183 L CA 1.013 56.047 54.840 0.323 0.000 0.752 183 L CB -0.631 41.606 42.059 0.297 0.000 0.899 183 L HN 0.444 nan 8.230 nan 0.000 0.433 184 A N 0.203 123.129 122.820 0.178 0.000 1.972 184 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 184 A C 2.253 179.903 177.584 0.110 0.000 1.169 184 A CA 2.138 54.277 52.037 0.169 0.000 0.635 184 A CB -0.813 18.319 19.000 0.219 0.000 0.810 184 A HN 0.528 nan 8.150 nan 0.000 0.446 185 T N -4.715 109.887 114.554 0.079 0.000 3.107 185 T HA 0.424 4.774 4.350 -0.000 0.000 0.249 185 T C 1.295 176.064 174.700 0.114 0.000 1.096 185 T CA 0.997 63.145 62.100 0.080 0.000 1.012 185 T CB 0.217 69.117 68.868 0.054 0.000 0.977 185 T HN 1.648 nan 8.240 nan 0.000 0.527 186 G N 1.436 110.312 108.800 0.126 0.000 2.175 186 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 186 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 186 G C 0.085 175.291 174.900 0.510 0.000 0.982 186 G CA -0.220 44.927 45.100 0.078 0.000 0.641 186 G HN 0.569 nan 8.290 nan 0.000 0.527 187 N N -0.254 118.737 118.700 0.484 0.000 2.327 187 N HA 0.548 5.287 4.740 -0.000 0.000 0.257 187 N C 0.529 176.318 175.510 0.464 0.000 1.281 187 N CA 0.724 54.020 53.050 0.410 0.000 0.942 187 N CB 1.403 40.005 38.487 0.192 0.000 1.199 187 N HN 0.810 nan 8.380 nan 0.000 0.532 188 V N -2.414 117.589 119.914 0.148 0.000 2.864 188 V HA 0.719 4.838 4.120 -0.000 0.000 0.314 188 V C -0.207 175.851 176.094 -0.059 0.000 1.073 188 V CA -0.827 61.481 62.300 0.012 0.000 0.956 188 V CB 1.730 33.559 31.823 0.010 0.000 1.023 188 V HN 0.237 nan 8.190 nan 0.000 0.435 189 V N 2.759 122.615 119.914 -0.098 0.000 2.656 189 V HA 0.578 4.698 4.120 -0.000 0.000 0.307 189 V C -0.501 175.547 176.094 -0.077 0.000 1.051 189 V CA -0.520 61.731 62.300 -0.082 0.000 0.893 189 V CB 2.133 33.896 31.823 -0.100 0.000 0.999 189 V HN 0.779 nan 8.190 nan 0.000 0.426 190 V N 5.689 125.570 119.914 -0.055 0.000 2.305 190 V HA 0.429 4.549 4.120 -0.000 0.000 0.275 190 V C -0.139 175.946 176.094 -0.015 0.000 1.020 190 V CA -0.203 62.070 62.300 -0.045 0.000 0.811 190 V CB 1.269 33.055 31.823 -0.061 0.000 1.031 190 V HN 0.895 nan 8.190 nan 0.000 0.439 191 M N 4.993 124.587 119.600 -0.009 0.000 2.300 191 M HA 0.572 5.052 4.480 -0.000 0.000 0.348 191 M C -0.577 175.744 176.300 0.034 0.000 1.151 191 M CA -0.435 54.871 55.300 0.010 0.000 1.046 191 M CB 1.210 33.803 32.600 -0.011 0.000 1.647 191 M HN 0.345 nan 8.290 nan 0.000 0.451 192 K N 5.329 125.761 120.400 0.052 0.000 2.339 192 K HA 0.442 4.762 4.320 -0.000 0.000 0.264 192 K C -1.334 175.313 176.600 0.079 0.000 0.986 192 K CA -0.403 55.926 56.287 0.070 0.000 0.866 192 K CB 1.006 33.555 32.500 0.082 0.000 1.103 192 K HN 0.679 nan 8.250 nan 0.000 0.441 193 V N 0.811 120.779 119.914 0.090 0.000 2.837 193 V HA 0.696 4.816 4.120 -0.000 0.000 0.310 193 V C 0.426 176.598 176.094 0.131 0.000 1.059 193 V CA -1.241 61.120 62.300 0.102 0.000 1.004 193 V CB 1.160 33.050 31.823 0.110 0.000 1.045 193 V HN 0.738 nan 8.190 nan 0.000 0.465 194 A N 2.164 125.079 122.820 0.157 0.000 2.511 194 A HA 0.231 4.551 4.320 -0.000 0.000 0.242 194 A C 1.258 178.971 177.584 0.215 0.000 1.069 194 A CA 0.423 52.591 52.037 0.218 0.000 0.763 194 A CB -0.206 18.989 19.000 0.326 0.000 1.001 194 A HN 1.153 nan 8.150 nan 0.000 0.498 195 E N 1.706 122.016 120.200 0.183 0.000 2.204 195 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 195 E C 1.112 177.886 176.600 0.290 0.000 0.990 195 E CA 1.616 58.119 56.400 0.171 0.000 0.821 195 E CB -0.191 29.522 29.700 0.022 0.000 0.750 195 E HN 0.825 nan 8.360 nan 0.000 0.477 196 Q N 0.778 120.689 119.800 0.186 0.000 2.187 196 Q HA 0.001 4.341 4.340 -0.000 0.000 0.199 196 Q C 0.665 176.730 176.000 0.107 0.000 0.957 196 Q CA 1.630 57.481 55.803 0.080 0.000 0.857 196 Q CB 0.610 29.259 28.738 -0.149 0.000 0.929 196 Q HN 0.418 nan 8.270 nan 0.000 0.453 197 T N -3.030 111.627 114.554 0.170 0.000 3.418 197 T HA 0.327 4.676 4.350 -0.000 0.000 0.315 197 T C -2.494 172.294 174.700 0.147 0.000 1.447 197 T CA -1.397 60.789 62.100 0.143 0.000 1.641 197 T CB 1.290 70.255 68.868 0.161 0.000 0.904 197 T HN -0.036 nan 8.240 nan 0.000 0.640 198 P HA 0.280 nan 4.420 nan 0.000 0.252 198 P C 1.551 178.925 177.300 0.122 0.000 1.211 198 P CA -0.227 62.964 63.100 0.152 0.000 0.824 198 P CB 0.473 32.295 31.700 0.204 0.000 1.077 199 L N 0.650 121.927 121.223 0.089 0.000 1.970 199 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 199 L C 2.800 179.753 176.870 0.139 0.000 1.071 199 L CA 2.760 57.653 54.840 0.089 0.000 0.751 199 L CB -2.051 40.033 42.059 0.042 0.000 0.889 199 L HN 0.091 nan 8.230 nan 0.000 0.432 200 T N -1.886 112.736 114.554 0.112 0.000 2.720 200 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 200 T C 1.985 176.792 174.700 0.179 0.000 1.037 200 T CA 1.067 63.253 62.100 0.144 0.000 1.144 200 T CB -0.579 68.337 68.868 0.080 0.000 0.864 200 T HN 0.336 nan 8.240 nan 0.000 0.444 201 A N 1.849 124.745 122.820 0.126 0.000 1.908 201 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 201 A C 2.486 180.133 177.584 0.104 0.000 1.181 201 A CA 1.579 53.671 52.037 0.091 0.000 0.627 201 A CB -0.973 18.072 19.000 0.074 0.000 0.818 201 A HN 0.565 nan 8.150 nan 0.000 0.445 202 L N -2.464 118.871 121.223 0.187 0.000 2.093 202 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 202 L C 2.586 179.662 176.870 0.343 0.000 1.085 202 L CA 1.614 56.641 54.840 0.312 0.000 0.755 202 L CB -0.632 41.634 42.059 0.344 0.000 0.904 202 L HN 0.572 nan 8.230 nan 0.000 0.435 203 Y N 0.307 120.722 120.300 0.191 0.000 2.200 203 Y HA -0.199 4.351 4.550 -0.000 0.000 0.290 203 Y C 2.394 178.374 175.900 0.133 0.000 1.137 203 Y CA 1.349 59.570 58.100 0.202 0.000 1.163 203 Y CB -0.179 38.446 38.460 0.275 0.000 0.988 203 Y HN -0.174 nan 8.280 nan 0.000 0.518 204 V N 0.338 120.298 119.914 0.077 0.000 2.490 204 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 204 V C 2.597 178.554 176.094 -0.227 0.000 1.061 204 V CA 1.646 63.916 62.300 -0.050 0.000 1.064 204 V CB -1.428 30.400 31.823 0.008 0.000 0.670 204 V HN 0.573 nan 8.190 nan 0.000 0.461 205 A N 0.087 122.724 122.820 -0.306 0.000 2.019 205 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 205 A C 2.054 179.192 177.584 -0.743 0.000 1.164 205 A CA 2.060 53.639 52.037 -0.763 0.000 0.644 205 A CB -0.686 17.638 19.000 -1.126 0.000 0.805 205 A HN 0.574 nan 8.150 nan 0.000 0.449 206 N N 0.009 118.538 118.700 -0.285 0.000 2.188 206 N HA -0.026 4.714 4.740 -0.000 0.000 0.184 206 N C 1.504 176.915 175.510 -0.165 0.000 1.018 206 N CA 1.163 54.170 53.050 -0.071 0.000 0.858 206 N CB -0.319 38.106 38.487 -0.104 0.000 0.989 206 N HN 0.492 nan 8.380 nan 0.000 0.426 207 L N -0.089 120.975 121.223 -0.264 0.000 2.217 207 L HA -0.014 4.326 4.340 -0.000 0.000 0.211 207 L C 1.961 178.801 176.870 -0.050 0.000 1.107 207 L CA 0.557 55.311 54.840 -0.144 0.000 0.783 207 L CB -0.271 41.717 42.059 -0.119 0.000 0.919 207 L HN 0.201 nan 8.230 nan 0.000 0.442 208 I N 0.186 120.675 120.570 -0.135 0.000 2.286 208 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 208 I C 2.713 178.892 176.117 0.102 0.000 1.115 208 I CA 1.296 62.534 61.300 -0.104 0.000 1.392 208 I CB -0.212 37.552 38.000 -0.393 0.000 1.065 208 I HN 0.279 nan 8.210 nan 0.000 0.418 209 K N 1.245 121.693 120.400 0.080 0.000 2.025 209 K HA -0.246 4.074 4.320 -0.000 0.000 0.207 209 K C 2.096 178.774 176.600 0.130 0.000 1.049 209 K CA 1.643 58.032 56.287 0.169 0.000 0.933 209 K CB -0.095 32.535 32.500 0.216 0.000 0.714 209 K HN 0.230 nan 8.250 nan 0.000 0.438 210 E N -0.041 120.211 120.200 0.086 0.000 2.110 210 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 210 E C 1.709 178.360 176.600 0.086 0.000 0.988 210 E CA 1.016 57.456 56.400 0.067 0.000 0.804 210 E CB -0.127 29.590 29.700 0.028 0.000 0.745 210 E HN 0.453 nan 8.360 nan 0.000 0.458 211 A N 0.032 122.930 122.820 0.129 0.000 2.019 211 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 211 A C 1.911 179.538 177.584 0.072 0.000 1.164 211 A CA 1.613 53.730 52.037 0.134 0.000 0.644 211 A CB -0.520 18.642 19.000 0.270 0.000 0.805 211 A HN 0.554 nan 8.150 nan 0.000 0.449 212 G N -3.160 105.714 108.800 0.124 0.000 2.175 212 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.182 212 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.182 212 G C -0.022 174.922 174.900 0.072 0.000 1.003 212 G CA -0.215 44.928 45.100 0.072 0.000 0.666 212 G HN 0.273 nan 8.290 nan 0.000 0.506 213 F N 1.662 121.629 119.950 0.028 0.000 2.572 213 F HA 0.406 4.933 4.527 -0.000 0.000 0.370 213 F C -1.087 174.695 175.800 -0.030 0.000 1.103 213 F CA -1.285 56.703 58.000 -0.020 0.000 1.286 213 F CB 0.346 39.266 39.000 -0.133 0.000 1.105 213 F HN -0.095 nan 8.300 nan 0.000 0.583 214 P HA 0.031 nan 4.420 nan 0.000 0.268 214 P C -2.545 174.763 177.300 0.014 0.000 1.208 214 P CA -0.742 62.412 63.100 0.090 0.000 0.777 214 P CB 0.036 31.820 31.700 0.139 0.000 0.875 215 P HA 0.086 nan 4.420 nan 0.000 0.267 215 P C 0.888 178.140 177.300 -0.080 0.000 1.205 215 P CA 1.144 64.211 63.100 -0.055 0.000 0.765 215 P CB 0.157 31.827 31.700 -0.051 0.000 0.828 216 G N 1.478 110.203 108.800 -0.125 0.000 2.176 216 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 216 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 216 G C 0.949 175.760 174.900 -0.149 0.000 0.979 216 G CA 0.192 45.218 45.100 -0.122 0.000 0.641 216 G HN 0.404 nan 8.290 nan 0.000 0.530 217 V N -0.390 119.387 119.914 -0.228 0.000 2.379 217 V HA 0.116 4.236 4.120 -0.000 0.000 0.245 217 V C 1.405 177.306 176.094 -0.321 0.000 1.044 217 V CA 1.960 64.002 62.300 -0.430 0.000 1.036 217 V CB 0.302 31.644 31.823 -0.800 0.000 0.664 217 V HN 0.356 nan 8.190 nan 0.000 0.453 218 V N 1.592 121.368 119.914 -0.229 0.000 2.483 218 V HA 0.486 4.606 4.120 -0.000 0.000 0.297 218 V C -0.929 175.167 176.094 0.004 0.000 1.027 218 V CA -0.772 61.425 62.300 -0.172 0.000 0.855 218 V CB 1.839 33.487 31.823 -0.292 0.000 0.995 218 V HN 0.428 nan 8.190 nan 0.000 0.424 219 N N 5.512 124.207 118.700 -0.008 0.000 2.399 219 N HA 0.597 5.337 4.740 -0.000 0.000 0.284 219 N C -1.133 174.402 175.510 0.043 0.000 1.025 219 N CA -0.352 52.729 53.050 0.052 0.000 0.885 219 N CB 2.870 41.324 38.487 -0.055 0.000 1.339 219 N HN 0.499 nan 8.380 nan 0.000 0.487 220 I N 1.423 122.057 120.570 0.106 0.000 2.377 220 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 220 I C -0.194 175.984 176.117 0.102 0.000 0.987 220 I CA -0.987 60.355 61.300 0.070 0.000 1.185 220 I CB 1.922 39.946 38.000 0.041 0.000 1.341 220 I HN 0.050 nan 8.210 nan 0.000 0.455 221 V N 7.672 127.636 119.914 0.083 0.000 2.327 221 V HA 0.275 4.395 4.120 -0.000 0.000 0.272 221 V C -2.151 174.004 176.094 0.101 0.000 1.019 221 V CA -1.476 60.877 62.300 0.088 0.000 0.814 221 V CB 1.146 32.998 31.823 0.049 0.000 1.040 221 V HN 0.589 nan 8.190 nan 0.000 0.440 222 P HA 0.565 nan 4.420 nan 0.000 0.274 222 P C 0.229 177.582 177.300 0.089 0.000 1.231 222 P CA 0.589 63.794 63.100 0.175 0.000 0.790 222 P CB 2.220 34.087 31.700 0.278 0.000 0.951 223 G N 0.852 109.582 108.800 -0.117 0.000 2.367 223 G HA2 0.275 4.235 3.960 -0.000 0.000 0.272 223 G HA3 0.275 4.235 3.960 -0.000 0.000 0.272 223 G C -1.730 172.787 174.900 -0.639 0.000 1.271 223 G CA -0.816 43.956 45.100 -0.548 0.000 0.893 223 G HN 0.318 nan 8.290 nan 0.000 0.485 224 F N 0.855 120.668 119.950 -0.227 0.000 2.399 224 F HA 0.529 5.056 4.527 -0.000 0.000 0.328 224 F C 1.751 177.517 175.800 -0.057 0.000 1.084 224 F CA -0.002 57.901 58.000 -0.161 0.000 1.053 224 F CB 2.042 40.945 39.000 -0.162 0.000 1.209 224 F HN 0.662 nan 8.300 nan 0.000 0.502 225 G N 1.217 110.137 108.800 0.200 0.000 2.433 225 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 225 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 225 G C -0.926 174.020 174.900 0.077 0.000 1.186 225 G CA 0.699 45.874 45.100 0.126 0.000 0.779 225 G HN 0.464 nan 8.290 nan 0.000 0.543 226 P HA -0.075 nan 4.420 nan 0.000 0.218 226 P C 2.081 179.403 177.300 0.037 0.000 1.148 226 P CA 2.208 65.321 63.100 0.022 0.000 0.822 226 P CB -0.089 31.607 31.700 -0.007 0.000 0.784 227 T N -3.428 111.174 114.554 0.079 0.000 3.065 227 T HA 0.221 4.571 4.350 -0.000 0.000 0.234 227 T C 1.981 176.714 174.700 0.056 0.000 1.017 227 T CA 0.680 62.822 62.100 0.071 0.000 1.292 227 T CB -1.264 67.667 68.868 0.107 0.000 1.005 227 T HN -0.080 nan 8.240 nan 0.000 0.423 228 A N 1.925 124.780 122.820 0.058 0.000 1.865 228 A HA 0.206 4.526 4.320 -0.000 0.000 0.217 228 A C 2.688 180.305 177.584 0.054 0.000 1.191 228 A CA 2.088 54.153 52.037 0.047 0.000 0.623 228 A CB -1.809 17.209 19.000 0.030 0.000 0.826 228 A HN 0.696 nan 8.150 nan 0.000 0.444 229 G N -0.475 108.363 108.800 0.063 0.000 2.491 229 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.218 229 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.218 229 G C 1.772 176.693 174.900 0.034 0.000 1.180 229 G CA 1.768 46.907 45.100 0.066 0.000 0.774 229 G HN 0.913 nan 8.290 nan 0.000 0.562 230 A N 0.903 123.733 122.820 0.016 0.000 1.972 230 A HA 0.311 4.631 4.320 -0.000 0.000 0.219 230 A C 2.780 180.373 177.584 0.014 0.000 1.169 230 A CA 2.128 54.163 52.037 -0.003 0.000 0.635 230 A CB -0.631 18.361 19.000 -0.012 0.000 0.810 230 A HN 0.803 nan 8.150 nan 0.000 0.446 231 A N 0.192 123.031 122.820 0.032 0.000 1.877 231 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 231 A C 2.117 179.752 177.584 0.084 0.000 1.186 231 A CA 1.504 53.570 52.037 0.048 0.000 0.620 231 A CB -0.587 18.447 19.000 0.057 0.000 0.822 231 A HN 0.485 nan 8.150 nan 0.000 0.443 232 I N -0.200 120.416 120.570 0.077 0.000 2.127 232 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 232 I C 2.988 179.148 176.117 0.071 0.000 1.075 232 I CA 1.224 62.571 61.300 0.078 0.000 1.334 232 I CB -0.424 37.609 38.000 0.056 0.000 1.040 232 I HN 0.357 nan 8.210 nan 0.000 0.405 233 A N -0.144 122.702 122.820 0.043 0.000 2.024 233 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 233 A C 2.378 179.976 177.584 0.022 0.000 1.164 233 A CA 2.300 54.350 52.037 0.021 0.000 0.643 233 A CB -0.517 18.475 19.000 -0.013 0.000 0.806 233 A HN 0.454 nan 8.150 nan 0.000 0.451 234 S N -1.437 114.281 115.700 0.030 0.000 2.492 234 S HA 0.056 4.526 4.470 -0.000 0.000 0.218 234 S C 0.781 175.401 174.600 0.034 0.000 1.016 234 S CA -0.496 57.713 58.200 0.015 0.000 0.916 234 S CB -0.246 62.948 63.200 -0.010 0.000 0.791 234 S HN 0.694 nan 8.310 nan 0.000 0.513 235 H N 3.236 122.300 119.070 -0.011 0.000 3.094 235 H HA 0.016 4.572 4.556 -0.000 0.000 0.320 235 H C 0.930 176.252 175.328 -0.011 0.000 1.000 235 H CA 0.579 56.621 56.048 -0.009 0.000 1.413 235 H CB 0.482 30.238 29.762 -0.009 0.000 1.405 235 H HN 0.166 nan 8.280 nan 0.000 0.586 236 E N 3.258 123.541 120.200 0.138 0.000 2.338 236 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 236 E C 0.805 177.529 176.600 0.206 0.000 1.007 236 E CA 0.753 57.231 56.400 0.130 0.000 0.849 236 E CB 0.245 29.960 29.700 0.026 0.000 0.774 236 E HN 0.591 nan 8.360 nan 0.000 0.506 237 D N -0.391 120.250 120.400 0.401 0.000 2.398 237 D HA 0.026 4.666 4.640 -0.000 0.000 0.210 237 D C -0.386 175.893 176.300 -0.036 0.000 1.094 237 D CA -0.015 54.050 54.000 0.108 0.000 0.839 237 D CB 0.667 41.499 40.800 0.053 0.000 0.963 237 D HN -0.188 nan 8.370 nan 0.000 0.506 238 V N 1.947 121.851 119.914 -0.017 0.000 2.432 238 V HA 0.081 4.201 4.120 -0.000 0.000 0.271 238 V C 1.034 177.107 176.094 -0.036 0.000 1.046 238 V CA -0.226 62.036 62.300 -0.062 0.000 0.945 238 V CB 1.595 33.396 31.823 -0.037 0.000 0.992 238 V HN 0.055 nan 8.190 nan 0.000 0.471 239 D N 3.314 123.673 120.400 -0.067 0.000 2.234 239 D HA 0.019 4.659 4.640 -0.000 0.000 0.205 239 D C 0.775 177.043 176.300 -0.054 0.000 0.962 239 D CA 1.049 55.013 54.000 -0.059 0.000 0.855 239 D CB 0.624 41.369 40.800 -0.092 0.000 0.951 239 D HN 0.550 nan 8.370 nan 0.000 0.500 240 K N 0.060 120.428 120.400 -0.054 0.000 2.562 240 K HA 0.385 4.705 4.320 -0.000 0.000 0.267 240 K C -2.107 174.477 176.600 -0.026 0.000 0.938 240 K CA -0.623 55.631 56.287 -0.056 0.000 0.840 240 K CB 2.907 35.347 32.500 -0.099 0.000 1.390 240 K HN -0.194 nan 8.250 nan 0.000 0.428 241 V N 2.412 122.316 119.914 -0.017 0.000 2.638 241 V HA 0.845 4.965 4.120 -0.000 0.000 0.306 241 V C -1.524 174.592 176.094 0.037 0.000 1.052 241 V CA -0.270 62.044 62.300 0.024 0.000 0.885 241 V CB 1.505 33.349 31.823 0.035 0.000 0.999 241 V HN 0.892 nan 8.190 nan 0.000 0.424 242 A N 6.793 129.658 122.820 0.075 0.000 2.285 242 A HA 0.786 5.106 4.320 -0.000 0.000 0.310 242 A C -1.172 176.496 177.584 0.141 0.000 1.266 242 A CA -0.420 51.667 52.037 0.084 0.000 0.832 242 A CB 0.686 19.739 19.000 0.087 0.000 1.163 242 A HN 1.099 nan 8.150 nan 0.000 0.499 243 F N 2.405 122.360 119.950 0.009 0.000 2.450 243 F HA 0.744 5.271 4.527 -0.000 0.000 0.332 243 F C -0.173 175.635 175.800 0.013 0.000 1.093 243 F CA -0.078 57.929 58.000 0.013 0.000 1.003 243 F CB 2.185 41.188 39.000 0.004 0.000 1.151 243 F HN 0.371 nan 8.300 nan 0.000 0.474 244 T N 4.407 118.276 114.554 -1.143 0.000 2.965 244 T HA 0.714 5.064 4.350 -0.000 0.000 0.306 244 T C -0.208 173.799 174.700 -1.156 0.000 0.991 244 T CA -0.316 61.283 62.100 -0.834 0.000 1.001 244 T CB 0.972 69.641 68.868 -0.332 0.000 0.984 244 T HN 1.102 nan 8.240 nan 0.000 0.446 245 G N 1.952 110.228 108.800 -0.873 0.000 2.485 245 G HA2 0.499 4.459 3.960 -0.000 0.000 0.182 245 G HA3 0.499 4.459 3.960 -0.000 0.000 0.182 245 G C -0.616 174.242 174.900 -0.070 0.000 1.172 245 G CA -0.240 44.605 45.100 -0.426 0.000 0.996 245 G HN 0.914 nan 8.290 nan 0.000 0.496 246 S N -0.257 115.500 115.700 0.095 0.000 2.576 246 S HA 0.395 4.865 4.470 -0.000 0.000 0.276 246 S C 1.202 175.906 174.600 0.172 0.000 1.339 246 S CA 0.960 59.194 58.200 0.058 0.000 1.039 246 S CB 1.290 64.519 63.200 0.048 0.000 0.902 246 S HN 0.774 nan 8.310 nan 0.000 0.516 247 T N 1.001 115.634 114.554 0.131 0.000 2.977 247 T HA -0.085 4.265 4.350 -0.000 0.000 0.271 247 T C 1.487 176.243 174.700 0.094 0.000 1.105 247 T CA 1.473 63.667 62.100 0.156 0.000 1.116 247 T CB -0.323 68.682 68.868 0.228 0.000 0.878 247 T HN 0.846 nan 8.240 nan 0.000 0.509 248 E N 0.820 121.062 120.200 0.070 0.000 2.051 248 E HA -0.013 4.337 4.350 -0.000 0.000 0.189 248 E C 1.977 178.560 176.600 -0.028 0.000 0.979 248 E CA 0.640 57.053 56.400 0.022 0.000 0.803 248 E CB -0.072 29.643 29.700 0.024 0.000 0.761 248 E HN 0.478 nan 8.360 nan 0.000 0.451 249 I N 0.713 121.259 120.570 -0.041 0.000 2.676 249 I HA -0.065 4.105 4.170 -0.000 0.000 0.259 249 I C 2.406 178.249 176.117 -0.456 0.000 1.194 249 I CA 0.731 61.902 61.300 -0.215 0.000 1.473 249 I CB -0.257 37.626 38.000 -0.195 0.000 1.096 249 I HN 0.197 nan 8.210 nan 0.000 0.443 250 G N 1.285 109.926 108.800 -0.266 0.000 2.422 250 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 250 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 250 G C 1.800 176.611 174.900 -0.148 0.000 1.146 250 G CA 0.295 45.271 45.100 -0.207 0.000 0.769 250 G HN 0.315 nan 8.290 nan 0.000 0.547 251 R N 0.007 120.450 120.500 -0.095 0.000 2.081 251 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 251 R C 2.594 178.834 176.300 -0.099 0.000 1.131 251 R CA 1.174 57.230 56.100 -0.072 0.000 0.960 251 R CB -0.708 29.562 30.300 -0.050 0.000 0.856 251 R HN 0.301 nan 8.270 nan 0.000 0.436 252 V N 1.759 121.591 119.914 -0.136 0.000 2.287 252 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 252 V C 2.384 178.392 176.094 -0.143 0.000 1.053 252 V CA 1.592 63.812 62.300 -0.134 0.000 1.027 252 V CB -0.471 31.259 31.823 -0.155 0.000 0.646 252 V HN 0.227 nan 8.190 nan 0.000 0.447 253 I N -0.114 120.327 120.570 -0.214 0.000 2.179 253 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 253 I C 2.536 178.596 176.117 -0.096 0.000 1.088 253 I CA 1.744 62.937 61.300 -0.178 0.000 1.357 253 I CB -1.296 36.541 38.000 -0.272 0.000 1.051 253 I HN 0.442 nan 8.210 nan 0.000 0.409 254 Q N 0.378 120.129 119.800 -0.082 0.000 2.291 254 Q HA -0.120 4.220 4.340 -0.000 0.000 0.205 254 Q C 2.244 178.216 176.000 -0.046 0.000 0.970 254 Q CA 1.008 56.782 55.803 -0.049 0.000 0.876 254 Q CB 0.334 29.050 28.738 -0.037 0.000 0.935 254 Q HN 0.340 nan 8.270 nan 0.000 0.455 255 V N 0.019 119.900 119.914 -0.055 0.000 2.379 255 V HA -0.119 4.001 4.120 -0.000 0.000 0.243 255 V C 2.175 178.244 176.094 -0.042 0.000 1.035 255 V CA 1.518 63.790 62.300 -0.046 0.000 1.035 255 V CB -0.598 31.196 31.823 -0.049 0.000 0.673 255 V HN 0.424 nan 8.190 nan 0.000 0.457 256 A N -0.129 122.662 122.820 -0.049 0.000 2.019 256 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 256 A C 2.289 179.856 177.584 -0.028 0.000 1.164 256 A CA 1.919 53.932 52.037 -0.040 0.000 0.644 256 A CB -0.477 18.496 19.000 -0.045 0.000 0.805 256 A HN 0.546 nan 8.150 nan 0.000 0.449 257 A N -0.781 122.021 122.820 -0.029 0.000 1.903 257 A HA 0.299 4.619 4.320 -0.000 0.000 0.213 257 A C 2.270 179.843 177.584 -0.019 0.000 1.185 257 A CA 1.368 53.393 52.037 -0.019 0.000 0.628 257 A CB -1.025 17.963 19.000 -0.020 0.000 0.830 257 A HN 0.678 nan 8.150 nan 0.000 0.446 258 G N -1.102 107.683 108.800 -0.024 0.000 2.650 258 G HA2 0.092 4.052 3.960 -0.000 0.000 0.214 258 G HA3 0.092 4.052 3.960 -0.000 0.000 0.214 258 G C 1.305 176.193 174.900 -0.021 0.000 1.136 258 G CA 1.120 46.207 45.100 -0.023 0.000 0.789 258 G HN 0.460 nan 8.290 nan 0.000 0.536 259 S N -0.030 115.657 115.700 -0.022 0.000 2.511 259 S HA 0.062 4.532 4.470 -0.000 0.000 0.214 259 S C 2.401 176.990 174.600 -0.018 0.000 0.997 259 S CA 0.563 58.750 58.200 -0.021 0.000 0.908 259 S CB 0.381 63.567 63.200 -0.024 0.000 0.803 259 S HN 0.550 nan 8.310 nan 0.000 0.504 260 S N 3.153 118.844 115.700 -0.015 0.000 2.346 260 S HA 0.068 4.538 4.470 -0.000 0.000 0.204 260 S C 1.043 175.640 174.600 -0.005 0.000 1.008 260 S CA 0.660 58.853 58.200 -0.011 0.000 0.925 260 S CB -0.335 62.862 63.200 -0.005 0.000 0.903 260 S HN 0.524 nan 8.310 nan 0.000 0.537 261 N N 0.684 119.383 118.700 -0.000 0.000 2.286 261 N HA 0.194 4.934 4.740 -0.000 0.000 0.245 261 N C -0.042 175.467 175.510 -0.002 0.000 1.363 261 N CA 0.009 53.061 53.050 0.003 0.000 0.822 261 N CB -0.689 37.808 38.487 0.016 0.000 1.345 261 N HN 0.476 nan 8.380 nan 0.000 0.494 262 L N 0.069 121.287 121.223 -0.008 0.000 3.843 262 L HA -0.302 4.037 4.340 -0.000 0.000 0.411 262 L C 0.054 176.915 176.870 -0.016 0.000 1.205 262 L CA 0.934 55.765 54.840 -0.014 0.000 0.945 262 L CB -1.777 40.274 42.059 -0.014 0.000 1.929 262 L HN 0.456 nan 8.230 nan 0.000 0.934 263 K N 0.423 120.815 120.400 -0.014 0.000 2.380 263 K HA 0.361 4.680 4.320 -0.000 0.000 0.267 263 K C 0.513 177.094 176.600 -0.031 0.000 0.990 263 K CA -0.630 55.645 56.287 -0.020 0.000 0.946 263 K CB 0.767 33.258 32.500 -0.014 0.000 0.937 263 K HN 0.142 nan 8.250 nan 0.000 0.491 264 R N 1.233 121.706 120.500 -0.045 0.000 2.543 264 R HA 0.160 4.500 4.340 -0.000 0.000 0.277 264 R C -1.043 175.221 176.300 -0.060 0.000 1.074 264 R CA -0.373 55.690 56.100 -0.060 0.000 1.076 264 R CB 0.683 30.932 30.300 -0.085 0.000 0.993 264 R HN 0.518 nan 8.270 nan 0.000 0.459 265 V N 2.967 122.848 119.914 -0.055 0.000 2.638 265 V HA 0.350 4.470 4.120 -0.000 0.000 0.306 265 V C -0.426 175.642 176.094 -0.043 0.000 1.052 265 V CA -0.836 61.442 62.300 -0.038 0.000 0.885 265 V CB 2.037 33.848 31.823 -0.020 0.000 0.999 265 V HN 0.973 nan 8.190 nan 0.000 0.424 266 T N 3.013 117.547 114.554 -0.033 0.000 2.824 266 T HA 0.833 5.183 4.350 -0.000 0.000 0.282 266 T C -0.902 173.813 174.700 0.025 0.000 0.993 266 T CA -0.627 61.452 62.100 -0.034 0.000 0.967 266 T CB 1.479 70.296 68.868 -0.085 0.000 0.960 266 T HN 0.373 nan 8.240 nan 0.000 0.441 267 L N 2.467 123.708 121.223 0.030 0.000 2.365 267 L HA 0.584 4.924 4.340 -0.000 0.000 0.273 267 L C -0.223 176.660 176.870 0.022 0.000 1.000 267 L CA -0.887 54.004 54.840 0.085 0.000 0.819 267 L CB 1.974 44.104 42.059 0.118 0.000 1.284 267 L HN 0.668 nan 8.230 nan 0.000 0.418 268 E N 5.343 125.541 120.200 -0.004 0.000 2.331 268 E HA 0.438 4.788 4.350 -0.000 0.000 0.243 268 E C -0.827 175.738 176.600 -0.058 0.000 0.925 268 E CA -0.248 56.110 56.400 -0.069 0.000 0.760 268 E CB 2.073 31.722 29.700 -0.086 0.000 1.254 268 E HN 0.461 nan 8.360 nan 0.000 0.419 269 L N 0.190 121.412 121.223 -0.001 0.000 2.492 269 L HA 0.608 4.948 4.340 -0.000 0.000 0.263 269 L C 1.320 178.189 176.870 -0.002 0.000 1.062 269 L CA -0.996 53.868 54.840 0.039 0.000 0.817 269 L CB 0.451 42.590 42.059 0.133 0.000 1.441 269 L HN 0.414 nan 8.230 nan 0.000 0.493 270 G N -1.458 107.324 108.800 -0.029 0.000 2.516 270 G HA2 0.562 4.521 3.960 -0.000 0.000 0.276 270 G HA3 0.562 4.521 3.960 -0.000 0.000 0.276 270 G C -0.430 174.171 174.900 -0.499 0.000 1.390 270 G CA 0.180 45.175 45.100 -0.176 0.000 1.050 270 G HN 0.889 nan 8.290 nan 0.000 0.519 271 G N -2.114 106.214 108.800 -0.788 0.000 2.466 271 G HA2 0.452 4.412 3.960 -0.000 0.000 0.291 271 G HA3 0.452 4.412 3.960 -0.000 0.000 0.291 271 G C -1.446 173.127 174.900 -0.544 0.000 1.460 271 G CA -0.593 43.887 45.100 -1.034 0.000 0.791 271 G HN 0.549 nan 8.290 nan 0.000 0.505 272 K N 0.831 121.124 120.400 -0.179 0.000 3.022 272 K HA 0.492 4.812 4.320 -0.000 0.000 0.178 272 K C 0.193 176.877 176.600 0.141 0.000 1.089 272 K CA -0.366 55.957 56.287 0.060 0.000 0.916 272 K CB 0.076 32.706 32.500 0.216 0.000 1.159 272 K HN 0.442 nan 8.250 nan 0.000 0.592 273 S N 3.712 119.498 115.700 0.144 0.000 2.544 273 S HA 0.097 4.567 4.470 -0.000 0.000 0.290 273 S C -2.280 172.480 174.600 0.268 0.000 1.276 273 S CA -0.623 57.710 58.200 0.221 0.000 1.075 273 S CB 0.152 63.538 63.200 0.310 0.000 0.849 273 S HN 0.393 nan 8.310 nan 0.000 0.494 274 P HA 0.186 nan 4.420 nan 0.000 0.292 274 P C -1.043 176.485 177.300 0.379 0.000 1.287 274 P CA -0.596 62.721 63.100 0.362 0.000 0.800 274 P CB 0.504 32.380 31.700 0.294 0.000 0.945 275 N N 4.090 123.028 118.700 0.397 0.000 2.558 275 N HA 0.273 5.013 4.740 -0.000 0.000 0.242 275 N C -0.546 175.183 175.510 0.365 0.000 0.979 275 N CA -0.604 52.694 53.050 0.414 0.000 0.931 275 N CB 0.391 39.050 38.487 0.286 0.000 1.122 275 N HN 0.317 nan 8.380 nan 0.000 0.508 276 I N 4.576 125.352 120.570 0.343 0.000 2.337 276 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 276 I C 0.035 176.357 176.117 0.341 0.000 1.046 276 I CA -0.493 60.975 61.300 0.282 0.000 1.324 276 I CB 0.828 38.880 38.000 0.087 0.000 1.409 276 I HN 0.373 nan 8.210 nan 0.000 0.494 277 I N 7.216 127.959 120.570 0.289 0.000 2.337 277 I HA 0.284 4.454 4.170 -0.000 0.000 0.285 277 I C 0.272 176.532 176.117 0.238 0.000 1.041 277 I CA -0.467 60.943 61.300 0.182 0.000 1.199 277 I CB 0.747 38.627 38.000 -0.200 0.000 1.370 277 I HN 0.491 nan 8.210 nan 0.000 0.470 278 M N 3.564 123.332 119.600 0.280 0.000 2.198 278 M HA 0.126 4.606 4.480 -0.000 0.000 0.315 278 M C 1.738 178.115 176.300 0.129 0.000 1.134 278 M CA 0.070 55.513 55.300 0.237 0.000 1.171 278 M CB 0.418 33.154 32.600 0.227 0.000 1.413 278 M HN 0.642 nan 8.290 nan 0.000 0.467 279 S N 0.379 116.123 115.700 0.073 0.000 2.419 279 S HA -0.161 4.309 4.470 -0.000 0.000 0.233 279 S C 0.817 175.466 174.600 0.081 0.000 1.016 279 S CA 1.358 59.587 58.200 0.048 0.000 0.974 279 S CB -0.575 62.634 63.200 0.014 0.000 0.786 279 S HN 0.750 nan 8.310 nan 0.000 0.492 280 D N 1.921 122.381 120.400 0.100 0.000 2.339 280 D HA 0.371 5.011 4.640 -0.000 0.000 0.217 280 D C 0.626 177.009 176.300 0.139 0.000 1.050 280 D CA 0.217 54.279 54.000 0.103 0.000 0.856 280 D CB -0.451 40.402 40.800 0.088 0.000 0.922 280 D HN 0.533 nan 8.370 nan 0.000 0.518 281 A N 0.629 123.556 122.820 0.178 0.000 2.466 281 A HA 0.182 4.502 4.320 -0.000 0.000 0.238 281 A C 0.127 177.852 177.584 0.234 0.000 1.074 281 A CA -0.287 51.899 52.037 0.248 0.000 0.774 281 A CB 0.122 19.304 19.000 0.303 0.000 1.015 281 A HN 0.125 nan 8.150 nan 0.000 0.498 282 D N 1.902 122.476 120.400 0.290 0.000 2.342 282 D HA 0.143 4.783 4.640 -0.000 0.000 0.260 282 D C 1.008 177.468 176.300 0.267 0.000 1.278 282 D CA -0.163 53.991 54.000 0.256 0.000 0.910 282 D CB 0.329 41.298 40.800 0.281 0.000 1.079 282 D HN 0.421 nan 8.370 nan 0.000 0.496 283 M N 3.698 123.412 119.600 0.190 0.000 2.110 283 M HA -0.218 4.262 4.480 -0.000 0.000 0.257 283 M C 1.087 177.458 176.300 0.119 0.000 1.071 283 M CA 1.841 57.237 55.300 0.159 0.000 1.096 283 M CB -0.349 32.318 32.600 0.112 0.000 1.300 283 M HN 0.407 nan 8.290 nan 0.000 0.411 284 D N -0.968 119.503 120.400 0.118 0.000 2.106 284 D HA -0.268 4.372 4.640 -0.000 0.000 0.191 284 D C 1.878 178.271 176.300 0.155 0.000 0.997 284 D CA 1.691 55.749 54.000 0.097 0.000 0.834 284 D CB -0.881 39.983 40.800 0.108 0.000 0.956 284 D HN 0.677 nan 8.370 nan 0.000 0.448 285 W N 1.749 123.074 121.300 0.041 0.000 2.333 285 W HA -0.225 4.435 4.660 -0.000 0.000 0.316 285 W C 2.303 178.861 176.519 0.065 0.000 1.215 285 W CA 1.706 59.098 57.345 0.078 0.000 1.278 285 W CB -0.118 29.426 29.460 0.140 0.000 1.154 285 W HN -0.019 nan 8.180 nan 0.000 0.486 286 A N 0.352 123.196 122.820 0.040 0.000 1.908 286 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 286 A C 2.032 179.458 177.584 -0.265 0.000 1.181 286 A CA 2.353 54.206 52.037 -0.307 0.000 0.627 286 A CB -1.208 17.777 19.000 -0.026 0.000 0.818 286 A HN 0.187 nan 8.150 nan 0.000 0.445 287 V N -0.057 119.758 119.914 -0.166 0.000 2.261 287 V HA -0.246 3.873 4.120 -0.000 0.000 0.246 287 V C 2.648 178.590 176.094 -0.252 0.000 1.047 287 V CA 2.477 64.556 62.300 -0.368 0.000 1.015 287 V CB -0.725 30.842 31.823 -0.428 0.000 0.642 287 V HN 0.711 nan 8.190 nan 0.000 0.446 288 E N -0.097 119.975 120.200 -0.213 0.000 2.077 288 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 288 E C 2.264 178.766 176.600 -0.164 0.000 0.989 288 E CA 1.425 57.722 56.400 -0.172 0.000 0.800 288 E CB -0.265 29.348 29.700 -0.145 0.000 0.746 288 E HN 0.507 nan 8.360 nan 0.000 0.452 289 Q N -0.460 119.114 119.800 -0.378 0.000 2.123 289 Q HA -0.001 4.339 4.340 -0.000 0.000 0.199 289 Q C 2.118 178.021 176.000 -0.161 0.000 0.966 289 Q CA 1.330 56.930 55.803 -0.338 0.000 0.845 289 Q CB -0.324 28.072 28.738 -0.569 0.000 0.907 289 Q HN 0.389 nan 8.270 nan 0.000 0.439 290 A N 0.066 122.748 122.820 -0.231 0.000 1.930 290 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 290 A C 1.880 179.454 177.584 -0.017 0.000 1.175 290 A CA 1.834 53.792 52.037 -0.131 0.000 0.627 290 A CB -0.708 18.324 19.000 0.053 0.000 0.815 290 A HN 0.474 nan 8.150 nan 0.000 0.443 291 H N -1.553 117.503 119.070 -0.023 0.000 2.293 291 H HA -0.147 4.409 4.556 -0.000 0.000 0.300 291 H C 1.735 177.194 175.328 0.218 0.000 1.082 291 H CA 2.207 58.336 56.048 0.134 0.000 1.308 291 H CB -0.432 29.335 29.762 0.009 0.000 1.375 291 H HN 0.454 nan 8.280 nan 0.000 0.495 292 F N 0.864 120.852 119.950 0.063 0.000 2.095 292 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 292 F C 2.557 178.314 175.800 -0.073 0.000 1.104 292 F CA 1.572 59.586 58.000 0.024 0.000 1.232 292 F CB -0.714 38.261 39.000 -0.042 0.000 0.987 292 F HN 0.314 nan 8.300 nan 0.000 0.475 293 A N 0.335 122.991 122.820 -0.274 0.000 1.958 293 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 293 A C 2.188 179.448 177.584 -0.540 0.000 1.178 293 A CA 2.245 53.864 52.037 -0.697 0.000 0.642 293 A CB -1.068 17.240 19.000 -1.155 0.000 0.816 293 A HN 0.625 nan 8.150 nan 0.000 0.453 294 L N -3.048 117.940 121.223 -0.392 0.000 2.262 294 L HA 0.234 4.574 4.340 -0.000 0.000 0.197 294 L C 2.104 178.708 176.870 -0.443 0.000 1.073 294 L CA 0.699 55.291 54.840 -0.413 0.000 0.800 294 L CB -0.030 41.735 42.059 -0.490 0.000 0.987 294 L HN 0.303 nan 8.230 nan 0.000 0.470 295 F N -0.403 119.346 119.950 -0.335 0.000 2.451 295 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 295 F C 1.057 176.728 175.800 -0.215 0.000 1.101 295 F CA 0.235 58.055 58.000 -0.300 0.000 1.436 295 F CB -0.527 38.200 39.000 -0.457 0.000 1.074 295 F HN -0.037 nan 8.300 nan 0.000 0.553 296 F N 2.040 121.831 119.950 -0.266 0.000 2.629 296 F HA -0.074 4.453 4.527 -0.000 0.000 0.377 296 F C 1.247 176.937 175.800 -0.183 0.000 1.101 296 F CA -0.107 57.716 58.000 -0.295 0.000 1.301 296 F CB 0.108 38.678 39.000 -0.716 0.000 1.062 296 F HN 0.093 nan 8.300 nan 0.000 0.583 297 N N 3.369 121.414 118.700 -1.092 0.000 2.725 297 N HA -0.308 4.431 4.740 -0.000 0.000 0.251 297 N C -0.087 175.135 175.510 -0.479 0.000 1.031 297 N CA 1.408 53.916 53.050 -0.904 0.000 0.720 297 N CB -0.963 36.844 38.487 -1.134 0.000 0.930 297 N HN 0.761 nan 8.380 nan 0.000 0.543 298 Q N -2.270 117.358 119.800 -0.287 0.000 2.494 298 Q HA -0.164 4.176 4.340 -0.000 0.000 0.266 298 Q C 1.153 177.042 176.000 -0.184 0.000 1.053 298 Q CA 2.135 57.845 55.803 -0.155 0.000 1.029 298 Q CB -1.904 26.751 28.738 -0.139 0.000 1.423 298 Q HN 1.165 nan 8.270 nan 0.000 0.516 299 G N -0.934 107.716 108.800 -0.250 0.000 2.155 299 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.257 299 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.257 299 G C 0.092 174.717 174.900 -0.458 0.000 0.983 299 G CA 0.473 45.384 45.100 -0.314 0.000 0.676 299 G HN 0.466 nan 8.290 nan 0.000 0.528 300 Q N -0.115 119.356 119.800 -0.548 0.000 3.150 300 Q HA 0.470 4.810 4.340 -0.000 0.000 0.297 300 Q C -0.199 175.235 176.000 -0.943 0.000 1.382 300 Q CA -0.150 55.057 55.803 -0.992 0.000 1.059 300 Q CB 0.385 28.833 28.738 -0.483 0.000 1.559 300 Q HN 0.390 nan 8.270 nan 0.000 0.548 301 C N -0.136 118.714 119.300 -0.750 0.000 2.431 301 C HA 0.190 4.650 4.460 -0.000 0.000 0.321 301 C C 1.959 176.979 174.990 0.050 0.000 1.202 301 C CA -1.129 57.811 59.018 -0.130 0.000 1.398 301 C CB 0.417 28.248 27.740 0.151 0.000 2.047 301 C HN 0.919 nan 8.230 nan 0.000 0.465 302 C N 0.153 119.639 119.300 0.310 0.000 2.403 302 C HA -0.126 4.334 4.460 -0.000 0.000 0.277 302 C C 1.934 177.106 174.990 0.305 0.000 1.248 302 C CA 1.404 60.648 59.018 0.377 0.000 1.762 302 C CB -2.238 25.692 27.740 0.317 0.000 2.014 302 C HN 0.946 nan 8.230 nan 0.000 0.486 303 C N 1.219 120.762 119.300 0.405 0.000 2.492 303 C HA 0.745 5.205 4.460 -0.000 0.000 0.317 303 C C 1.252 176.519 174.990 0.462 0.000 1.347 303 C CA -0.889 58.413 59.018 0.473 0.000 1.759 303 C CB -2.484 25.693 27.740 0.729 0.000 2.127 303 C HN 0.720 nan 8.230 nan 0.000 0.579 304 A N 0.959 123.939 122.820 0.266 0.000 2.498 304 A HA 0.479 4.799 4.320 -0.000 0.000 0.239 304 A C 1.141 178.806 177.584 0.135 0.000 1.068 304 A CA 0.713 52.832 52.037 0.136 0.000 0.766 304 A CB -0.049 18.924 19.000 -0.045 0.000 1.003 304 A HN 1.142 nan 8.150 nan 0.000 0.497 305 G N 1.392 110.163 108.800 -0.049 0.000 3.102 305 G HA2 0.319 4.279 3.960 -0.000 0.000 0.264 305 G HA3 0.319 4.279 3.960 -0.000 0.000 0.264 305 G C 0.932 175.785 174.900 -0.078 0.000 0.788 305 G CA 0.392 45.452 45.100 -0.067 0.000 2.029 305 G HN 1.105 nan 8.290 nan 0.000 0.608 306 S N 0.512 116.200 115.700 -0.019 0.000 2.561 306 S HA 0.096 4.566 4.470 -0.000 0.000 0.225 306 S C 1.093 175.671 174.600 -0.037 0.000 0.977 306 S CA 0.023 58.189 58.200 -0.056 0.000 0.926 306 S CB 0.364 63.534 63.200 -0.051 0.000 0.769 306 S HN 0.406 nan 8.310 nan 0.000 0.533 307 R N 1.869 122.375 120.500 0.011 0.000 2.443 307 R HA 0.272 4.612 4.340 -0.000 0.000 0.287 307 R C -1.171 175.099 176.300 -0.049 0.000 1.425 307 R CA -0.086 55.978 56.100 -0.060 0.000 1.300 307 R CB 1.130 31.469 30.300 0.064 0.000 1.129 307 R HN 0.142 nan 8.270 nan 0.000 0.577 308 T N 3.919 118.414 114.554 -0.099 0.000 2.863 308 T HA 0.221 4.571 4.350 -0.000 0.000 0.299 308 T C -0.067 174.595 174.700 -0.064 0.000 0.973 308 T CA 0.001 62.094 62.100 -0.012 0.000 0.994 308 T CB -0.280 68.606 68.868 0.030 0.000 0.961 308 T HN 0.149 nan 8.240 nan 0.000 0.552 309 F N 2.504 122.513 119.950 0.099 0.000 2.438 309 F HA 0.415 4.942 4.527 -0.000 0.000 0.356 309 F C 0.456 176.420 175.800 0.273 0.000 1.099 309 F CA -0.654 57.474 58.000 0.214 0.000 1.185 309 F CB 0.723 39.786 39.000 0.105 0.000 1.115 309 F HN 0.171 nan 8.300 nan 0.000 0.526 310 V N 3.655 123.811 119.914 0.404 0.000 2.588 310 V HA 0.272 4.392 4.120 -0.000 0.000 0.304 310 V C -0.164 175.811 176.094 -0.199 0.000 1.042 310 V CA -1.138 61.184 62.300 0.036 0.000 0.877 310 V CB 1.608 33.278 31.823 -0.255 0.000 0.996 310 V HN 0.560 nan 8.190 nan 0.000 0.425 311 Q N 2.838 122.326 119.800 -0.519 0.000 2.364 311 Q HA 0.057 4.397 4.340 -0.000 0.000 0.267 311 Q C 1.405 177.213 176.000 -0.320 0.000 0.999 311 Q CA 0.301 55.593 55.803 -0.852 0.000 0.886 311 Q CB 1.277 29.705 28.738 -0.517 0.000 1.243 311 Q HN 1.021 nan 8.270 nan 0.000 0.415 312 E N 2.734 122.761 120.200 -0.288 0.000 2.070 312 E HA -0.272 4.078 4.350 -0.000 0.000 0.197 312 E C 0.391 176.986 176.600 -0.008 0.000 1.004 312 E CA 1.750 58.093 56.400 -0.095 0.000 0.805 312 E CB -0.054 29.577 29.700 -0.116 0.000 0.744 312 E HN 0.554 nan 8.360 nan 0.000 0.451 313 D N 1.117 121.493 120.400 -0.040 0.000 2.271 313 D HA -0.141 4.499 4.640 -0.000 0.000 0.207 313 D C 1.988 178.310 176.300 0.036 0.000 0.983 313 D CA 1.596 55.597 54.000 0.001 0.000 0.878 313 D CB -0.148 40.648 40.800 -0.008 0.000 0.920 313 D HN 0.657 nan 8.370 nan 0.000 0.479 314 I N -3.997 116.597 120.570 0.040 0.000 4.240 314 I HA 0.190 4.360 4.170 -0.000 0.000 0.331 314 I C 1.707 177.895 176.117 0.118 0.000 1.381 314 I CA -0.578 60.768 61.300 0.077 0.000 1.136 314 I CB -0.038 38.004 38.000 0.071 0.000 1.137 314 I HN -0.243 nan 8.210 nan 0.000 0.411 315 Y N 2.898 123.199 120.300 0.002 0.000 2.053 315 Y HA -0.316 4.234 4.550 -0.000 0.000 0.277 315 Y C 2.118 178.084 175.900 0.110 0.000 1.159 315 Y CA 2.397 60.517 58.100 0.034 0.000 1.125 315 Y CB -0.142 38.311 38.460 -0.012 0.000 0.969 315 Y HN 0.222 nan 8.280 nan 0.000 0.492 316 D N 0.046 120.575 120.400 0.215 0.000 2.087 316 D HA -0.241 4.399 4.640 -0.000 0.000 0.192 316 D C 2.118 178.432 176.300 0.024 0.000 0.993 316 D CA 1.855 55.928 54.000 0.122 0.000 0.828 316 D CB -0.583 40.303 40.800 0.144 0.000 0.968 316 D HN 0.610 nan 8.370 nan 0.000 0.448 317 E N -0.441 119.789 120.200 0.051 0.000 2.085 317 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 317 E C 2.131 178.731 176.600 0.001 0.000 0.994 317 E CA 0.605 57.020 56.400 0.026 0.000 0.801 317 E CB -0.227 29.500 29.700 0.046 0.000 0.743 317 E HN 0.189 nan 8.360 nan 0.000 0.453 318 F N 0.808 120.691 119.950 -0.111 0.000 2.046 318 F HA -0.256 4.271 4.527 -0.000 0.000 0.297 318 F C 2.159 177.853 175.800 -0.176 0.000 1.123 318 F CA 1.661 59.578 58.000 -0.137 0.000 1.199 318 F CB -0.450 38.456 39.000 -0.156 0.000 0.972 318 F HN -0.116 nan 8.300 nan 0.000 0.474 319 V N 0.461 120.328 119.914 -0.079 0.000 2.282 319 V HA -0.344 3.776 4.120 -0.000 0.000 0.249 319 V C 2.297 178.300 176.094 -0.152 0.000 1.057 319 V CA 2.370 64.573 62.300 -0.162 0.000 1.032 319 V CB -0.801 30.856 31.823 -0.278 0.000 0.645 319 V HN 0.386 nan 8.190 nan 0.000 0.447 320 E N -0.176 119.953 120.200 -0.119 0.000 2.049 320 E HA -0.266 4.084 4.350 -0.000 0.000 0.198 320 E C 2.488 179.006 176.600 -0.137 0.000 1.007 320 E CA 1.657 57.999 56.400 -0.096 0.000 0.809 320 E CB -0.193 29.470 29.700 -0.062 0.000 0.749 320 E HN 0.538 nan 8.360 nan 0.000 0.450 321 R N 0.210 120.597 120.500 -0.189 0.000 2.096 321 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 321 R C 2.552 178.688 176.300 -0.274 0.000 1.127 321 R CA 1.359 57.324 56.100 -0.226 0.000 0.968 321 R CB -0.124 30.019 30.300 -0.261 0.000 0.861 321 R HN 0.013 nan 8.270 nan 0.000 0.440 322 S N 0.211 115.702 115.700 -0.348 0.000 2.368 322 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 322 S C 2.102 176.617 174.600 -0.141 0.000 1.029 322 S CA 1.200 59.231 58.200 -0.282 0.000 0.988 322 S CB -0.130 62.890 63.200 -0.300 0.000 0.838 322 S HN 0.062 nan 8.310 nan 0.000 0.462 323 V N 2.165 122.006 119.914 -0.121 0.000 2.295 323 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 323 V C 2.693 178.725 176.094 -0.103 0.000 1.049 323 V CA 1.668 63.919 62.300 -0.081 0.000 1.024 323 V CB -1.266 30.518 31.823 -0.065 0.000 0.648 323 V HN 0.538 nan 8.190 nan 0.000 0.447 324 A N 0.377 123.124 122.820 -0.122 0.000 1.908 324 A HA -0.278 4.041 4.320 -0.000 0.000 0.218 324 A C 2.310 179.796 177.584 -0.164 0.000 1.181 324 A CA 2.300 54.262 52.037 -0.125 0.000 0.627 324 A CB -0.532 18.396 19.000 -0.119 0.000 0.818 324 A HN 0.465 nan 8.150 nan 0.000 0.445 325 R N 0.128 120.497 120.500 -0.218 0.000 2.075 325 R HA 0.034 4.374 4.340 -0.000 0.000 0.232 325 R C 2.151 178.237 176.300 -0.356 0.000 1.126 325 R CA 1.886 57.782 56.100 -0.341 0.000 0.963 325 R CB -0.940 29.081 30.300 -0.463 0.000 0.858 325 R HN 0.378 nan 8.270 nan 0.000 0.435 326 A N 0.727 123.408 122.820 -0.231 0.000 1.902 326 A HA -0.158 4.161 4.320 -0.000 0.000 0.217 326 A C 2.048 179.529 177.584 -0.173 0.000 1.181 326 A CA 1.749 53.655 52.037 -0.218 0.000 0.623 326 A CB -0.451 18.476 19.000 -0.122 0.000 0.818 326 A HN 0.381 nan 8.150 nan 0.000 0.443 327 K N 0.188 120.512 120.400 -0.128 0.000 2.147 327 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 327 K C 2.231 178.774 176.600 -0.096 0.000 1.049 327 K CA 1.529 57.760 56.287 -0.094 0.000 0.936 327 K CB -0.139 32.315 32.500 -0.077 0.000 0.722 327 K HN 0.682 nan 8.250 nan 0.000 0.446 328 S N 0.533 116.159 115.700 -0.124 0.000 2.496 328 S HA -0.048 4.422 4.470 -0.000 0.000 0.224 328 S C 0.938 175.472 174.600 -0.109 0.000 0.996 328 S CA -0.154 57.978 58.200 -0.112 0.000 0.927 328 S CB -0.106 63.017 63.200 -0.128 0.000 0.774 328 S HN 0.155 nan 8.310 nan 0.000 0.524 329 R N 2.190 122.610 120.500 -0.134 0.000 2.446 329 R HA 0.159 4.499 4.340 -0.000 0.000 0.325 329 R C -0.940 175.334 176.300 -0.044 0.000 0.997 329 R CA -0.101 55.942 56.100 -0.096 0.000 1.010 329 R CB -0.061 30.166 30.300 -0.121 0.000 0.946 329 R HN 0.170 nan 8.270 nan 0.000 0.422 330 V N 6.351 126.254 119.914 -0.019 0.000 2.485 330 V HA 0.036 4.156 4.120 -0.000 0.000 0.287 330 V C 0.290 176.403 176.094 0.031 0.000 1.022 330 V CA 0.042 62.342 62.300 -0.000 0.000 1.067 330 V CB 1.125 32.950 31.823 0.003 0.000 0.967 330 V HN 0.456 nan 8.190 nan 0.000 0.479 331 V N 4.823 124.759 119.914 0.036 0.000 2.581 331 V HA 1.019 5.139 4.120 -0.000 0.000 0.303 331 V C 0.609 176.727 176.094 0.040 0.000 1.041 331 V CA 0.537 62.893 62.300 0.093 0.000 0.907 331 V CB 1.236 33.136 31.823 0.129 0.000 0.994 331 V HN 1.167 nan 8.190 nan 0.000 0.442 332 G N 3.124 111.988 108.800 0.106 0.000 2.344 332 G HA2 0.123 4.083 3.960 -0.000 0.000 0.282 332 G HA3 0.123 4.083 3.960 -0.000 0.000 0.282 332 G C -1.031 173.952 174.900 0.140 0.000 1.281 332 G CA -0.860 44.212 45.100 -0.046 0.000 0.877 332 G HN 0.660 nan 8.290 nan 0.000 0.494 333 N N 2.025 120.757 118.700 0.053 0.000 2.374 333 N HA 0.153 4.893 4.740 -0.000 0.000 0.269 333 N C -0.419 175.176 175.510 0.142 0.000 1.310 333 N CA -0.904 52.236 53.050 0.149 0.000 0.877 333 N CB 1.265 39.818 38.487 0.110 0.000 1.096 333 N HN 0.177 nan 8.380 nan 0.000 0.484 334 P HA -0.159 nan 4.420 nan 0.000 0.221 334 P C 0.780 177.992 177.300 -0.146 0.000 1.145 334 P CA 1.292 64.354 63.100 -0.063 0.000 0.795 334 P CB -0.047 31.535 31.700 -0.196 0.000 0.775 335 F N -0.200 119.789 119.950 0.066 0.000 2.710 335 F HA 0.077 4.604 4.527 -0.000 0.000 0.298 335 F C 1.361 177.170 175.800 0.017 0.000 1.137 335 F CA 0.243 58.257 58.000 0.022 0.000 1.444 335 F CB -0.161 38.808 39.000 -0.051 0.000 1.111 335 F HN -0.118 nan 8.300 nan 0.000 0.580 336 D N 0.214 120.713 120.400 0.165 0.000 2.277 336 D HA 0.010 4.649 4.640 -0.000 0.000 0.249 336 D C 1.262 177.618 176.300 0.093 0.000 1.134 336 D CA 0.269 54.332 54.000 0.105 0.000 0.863 336 D CB 1.468 42.309 40.800 0.069 0.000 1.143 336 D HN 0.156 nan 8.370 nan 0.000 0.458 337 S N 3.958 119.711 115.700 0.089 0.000 2.407 337 S HA -0.239 4.231 4.470 -0.000 0.000 0.235 337 S C 1.415 176.054 174.600 0.065 0.000 1.036 337 S CA 1.035 59.287 58.200 0.086 0.000 1.013 337 S CB -0.108 63.135 63.200 0.071 0.000 0.820 337 S HN 0.541 nan 8.310 nan 0.000 0.476 338 K N 1.048 121.478 120.400 0.049 0.000 2.366 338 K HA 0.069 4.389 4.320 -0.000 0.000 0.198 338 K C 0.148 176.772 176.600 0.040 0.000 1.044 338 K CA 0.634 56.943 56.287 0.036 0.000 0.973 338 K CB -0.312 32.200 32.500 0.021 0.000 0.767 338 K HN 0.340 nan 8.250 nan 0.000 0.475 339 T N 2.098 116.683 114.554 0.051 0.000 2.817 339 T HA 0.023 4.373 4.350 -0.000 0.000 0.295 339 T C 0.817 175.555 174.700 0.063 0.000 0.958 339 T CA 0.263 62.398 62.100 0.057 0.000 1.157 339 T CB 0.978 69.887 68.868 0.069 0.000 0.898 339 T HN 0.193 nan 8.240 nan 0.000 0.536 340 E N 1.883 122.122 120.200 0.065 0.000 2.201 340 E HA 0.033 4.383 4.350 -0.000 0.000 0.193 340 E C 0.863 177.510 176.600 0.079 0.000 0.957 340 E CA 0.245 56.695 56.400 0.082 0.000 0.858 340 E CB 0.516 30.265 29.700 0.083 0.000 0.816 340 E HN 0.571 nan 8.360 nan 0.000 0.475 341 Q N 0.394 120.240 119.800 0.077 0.000 2.321 341 Q HA 0.426 4.766 4.340 -0.000 0.000 0.270 341 Q C -0.529 175.533 176.000 0.102 0.000 1.032 341 Q CA -0.603 55.242 55.803 0.071 0.000 0.784 341 Q CB 1.829 30.623 28.738 0.093 0.000 1.264 341 Q HN 0.123 nan 8.270 nan 0.000 0.448 342 G N 3.174 111.992 108.800 0.030 0.000 2.574 342 G HA2 0.587 4.547 3.960 -0.000 0.000 0.248 342 G HA3 0.587 4.547 3.960 -0.000 0.000 0.248 342 G C -2.527 172.263 174.900 -0.183 0.000 1.422 342 G CA -0.917 44.193 45.100 0.017 0.000 1.051 342 G HN 0.576 nan 8.290 nan 0.000 0.560 343 P HA 0.252 nan 4.420 nan 0.000 0.281 343 P C -0.924 176.186 177.300 -0.317 0.000 1.281 343 P CA -0.449 62.165 63.100 -0.810 0.000 0.811 343 P CB 1.153 32.097 31.700 -1.260 0.000 1.154 344 Q N -0.162 119.538 119.800 -0.167 0.000 2.382 344 Q HA 0.078 4.418 4.340 -0.000 0.000 0.229 344 Q C 1.361 177.257 176.000 -0.173 0.000 1.006 344 Q CA -0.448 55.300 55.803 -0.090 0.000 0.916 344 Q CB 0.479 29.239 28.738 0.037 0.000 1.235 344 Q HN 0.203 nan 8.270 nan 0.000 0.512 345 V N 0.714 120.455 119.914 -0.289 0.000 2.282 345 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 345 V C 0.457 176.297 176.094 -0.423 0.000 1.057 345 V CA 2.823 64.866 62.300 -0.429 0.000 1.032 345 V CB -0.033 31.238 31.823 -0.920 0.000 0.645 345 V HN 1.005 nan 8.190 nan 0.000 0.447 346 D N -3.257 116.800 120.400 -0.572 0.000 2.677 346 D HA 0.133 4.773 4.640 -0.000 0.000 0.298 346 D C 0.715 176.376 176.300 -1.064 0.000 1.250 346 D CA -0.063 53.499 54.000 -0.729 0.000 0.888 346 D CB 0.875 41.392 40.800 -0.472 0.000 1.397 346 D HN 0.075 nan 8.370 nan 0.000 0.461 347 E N -0.459 119.059 120.200 -1.136 0.000 2.077 347 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 347 E C 1.231 177.700 176.600 -0.218 0.000 0.989 347 E CA 1.818 57.796 56.400 -0.703 0.000 0.800 347 E CB -0.077 29.464 29.700 -0.264 0.000 0.746 347 E HN 0.534 nan 8.360 nan 0.000 0.452 348 T N 1.245 115.677 114.554 -0.203 0.000 2.665 348 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 348 T C 1.813 176.477 174.700 -0.060 0.000 1.035 348 T CA 1.397 63.436 62.100 -0.101 0.000 1.151 348 T CB -0.186 68.622 68.868 -0.100 0.000 0.862 348 T HN 0.167 nan 8.240 nan 0.000 0.438 349 Q N -0.056 119.683 119.800 -0.102 0.000 2.079 349 Q HA 0.012 4.352 4.340 -0.000 0.000 0.200 349 Q C 2.080 178.115 176.000 0.058 0.000 0.974 349 Q CA 1.033 56.830 55.803 -0.009 0.000 0.840 349 Q CB -0.723 27.974 28.738 -0.068 0.000 0.898 349 Q HN 0.562 nan 8.270 nan 0.000 0.430 350 F N 2.014 121.871 119.950 -0.155 0.000 2.065 350 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 350 F C 2.000 177.802 175.800 0.002 0.000 1.112 350 F CA 1.748 59.709 58.000 -0.066 0.000 1.212 350 F CB -0.041 38.901 39.000 -0.097 0.000 0.975 350 F HN -0.024 nan 8.300 nan 0.000 0.476 351 K N -0.030 120.350 120.400 -0.034 0.000 2.103 351 K HA -0.183 4.137 4.320 -0.000 0.000 0.204 351 K C 2.201 178.744 176.600 -0.095 0.000 1.052 351 K CA 1.331 57.543 56.287 -0.124 0.000 0.945 351 K CB -0.273 32.218 32.500 -0.015 0.000 0.722 351 K HN 0.227 nan 8.250 nan 0.000 0.443 352 K N 1.285 121.669 120.400 -0.027 0.000 2.152 352 K HA -0.122 4.197 4.320 -0.000 0.000 0.206 352 K C 1.914 178.569 176.600 0.093 0.000 1.048 352 K CA 1.120 57.410 56.287 0.006 0.000 0.933 352 K CB 0.003 32.554 32.500 0.085 0.000 0.721 352 K HN 0.072 nan 8.250 nan 0.000 0.447 353 I N 0.772 121.407 120.570 0.109 0.000 2.233 353 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 353 I C 2.063 178.230 176.117 0.082 0.000 1.093 353 I CA 0.845 62.246 61.300 0.169 0.000 1.380 353 I CB -0.193 37.866 38.000 0.098 0.000 1.067 353 I HN 0.125 nan 8.210 nan 0.000 0.413 354 L N 0.656 121.831 121.223 -0.079 0.000 2.079 354 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 354 L C 2.699 179.546 176.870 -0.038 0.000 1.081 354 L CA 1.626 56.406 54.840 -0.101 0.000 0.752 354 L CB -1.251 40.666 42.059 -0.237 0.000 0.896 354 L HN 0.342 nan 8.230 nan 0.000 0.433 355 G N -1.043 107.711 108.800 -0.076 0.000 2.421 355 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 355 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 355 G C 1.390 176.227 174.900 -0.106 0.000 1.171 355 G CA 0.648 45.673 45.100 -0.125 0.000 0.775 355 G HN 0.299 nan 8.290 nan 0.000 0.543 356 Y N 0.541 120.843 120.300 0.003 0.000 2.181 356 Y HA -0.037 4.513 4.550 -0.000 0.000 0.288 356 Y C 2.806 178.729 175.900 0.039 0.000 1.146 356 Y CA 0.799 58.905 58.100 0.011 0.000 1.164 356 Y CB -0.076 38.400 38.460 0.026 0.000 0.982 356 Y HN 0.120 nan 8.280 nan 0.000 0.515 357 I N 0.023 120.743 120.570 0.249 0.000 2.226 357 I HA -0.357 3.813 4.170 -0.000 0.000 0.245 357 I C 2.481 178.750 176.117 0.254 0.000 1.100 357 I CA 1.504 62.997 61.300 0.321 0.000 1.374 357 I CB -0.509 37.625 38.000 0.222 0.000 1.057 357 I HN 0.392 nan 8.210 nan 0.000 0.413 358 N N 0.744 119.517 118.700 0.121 0.000 2.084 358 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 358 N C 1.739 177.277 175.510 0.047 0.000 1.030 358 N CA 2.193 55.288 53.050 0.074 0.000 0.849 358 N CB 0.001 38.498 38.487 0.017 0.000 1.012 358 N HN 0.258 nan 8.380 nan 0.000 0.423 359 T N -0.103 114.459 114.554 0.014 0.000 2.759 359 T HA -0.091 4.259 4.350 -0.000 0.000 0.269 359 T C 1.792 176.453 174.700 -0.065 0.000 1.042 359 T CA 1.362 63.450 62.100 -0.019 0.000 1.140 359 T CB -0.800 68.060 68.868 -0.015 0.000 0.864 359 T HN 0.479 nan 8.240 nan 0.000 0.455 360 G N 1.605 110.321 108.800 -0.140 0.000 2.418 360 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 360 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 360 G C 1.614 176.353 174.900 -0.268 0.000 1.158 360 G CA 0.832 45.626 45.100 -0.510 0.000 0.771 360 G HN 0.439 nan 8.290 nan 0.000 0.545 361 K N -0.038 120.386 120.400 0.040 0.000 2.097 361 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 361 K C 2.743 179.374 176.600 0.053 0.000 1.050 361 K CA 1.076 57.449 56.287 0.142 0.000 0.938 361 K CB -0.075 32.533 32.500 0.181 0.000 0.718 361 K HN 0.145 nan 8.250 nan 0.000 0.442 362 Q N 0.981 120.792 119.800 0.018 0.000 2.124 362 Q HA -0.176 4.163 4.340 -0.000 0.000 0.202 362 Q C 1.504 177.500 176.000 -0.006 0.000 0.977 362 Q CA 1.478 57.285 55.803 0.006 0.000 0.850 362 Q CB -0.071 28.664 28.738 -0.005 0.000 0.901 362 Q HN 0.501 nan 8.270 nan 0.000 0.429 363 E N -0.671 119.510 120.200 -0.031 0.000 2.482 363 E HA 0.093 4.443 4.350 -0.000 0.000 0.196 363 E C 0.658 177.245 176.600 -0.021 0.000 1.047 363 E CA 0.392 56.772 56.400 -0.035 0.000 0.869 363 E CB 0.190 29.852 29.700 -0.063 0.000 0.836 363 E HN 0.499 nan 8.360 nan 0.000 0.520 364 G N 1.128 109.927 108.800 -0.003 0.000 2.134 364 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.209 364 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.209 364 G C 0.221 175.143 174.900 0.037 0.000 0.993 364 G CA -0.085 45.028 45.100 0.022 0.000 0.669 364 G HN 0.426 nan 8.290 nan 0.000 0.519 365 A N 0.184 123.013 122.820 0.016 0.000 2.409 365 A HA 0.628 4.948 4.320 -0.000 0.000 0.262 365 A C 0.666 178.409 177.584 0.265 0.000 1.113 365 A CA 0.364 52.439 52.037 0.062 0.000 0.790 365 A CB 0.435 19.298 19.000 -0.229 0.000 1.046 365 A HN 0.566 nan 8.150 nan 0.000 0.496 366 K N 3.000 123.557 120.400 0.261 0.000 2.278 366 K HA 0.207 4.527 4.320 -0.000 0.000 0.289 366 K C -0.545 176.202 176.600 0.244 0.000 1.080 366 K CA -0.413 56.009 56.287 0.225 0.000 0.934 366 K CB -0.037 32.557 32.500 0.157 0.000 1.093 366 K HN 0.601 nan 8.250 nan 0.000 0.459 367 L N 6.209 127.534 121.223 0.170 0.000 2.433 367 L HA 0.065 4.405 4.340 -0.000 0.000 0.275 367 L C 0.198 177.021 176.870 -0.078 0.000 1.128 367 L CA 0.599 55.372 54.840 -0.111 0.000 0.875 367 L CB 0.465 42.457 42.059 -0.112 0.000 1.171 367 L HN 0.777 nan 8.230 nan 0.000 0.463 368 L N 4.948 126.100 121.223 -0.117 0.000 2.513 368 L HA 0.233 4.573 4.340 -0.000 0.000 0.222 368 L C 0.333 177.162 176.870 -0.068 0.000 1.096 368 L CA 0.149 54.956 54.840 -0.055 0.000 0.857 368 L CB -0.063 41.984 42.059 -0.021 0.000 1.026 368 L HN 0.847 nan 8.230 nan 0.000 0.469 369 C N -3.321 115.915 119.300 -0.108 0.000 3.275 369 C HA 0.705 5.165 4.460 -0.000 0.000 0.345 369 C C 0.710 175.644 174.990 -0.092 0.000 1.257 369 C CA -0.747 58.224 59.018 -0.078 0.000 1.203 369 C CB 0.677 28.385 27.740 -0.054 0.000 1.492 369 C HN 0.599 nan 8.230 nan 0.000 0.484 370 G N 0.822 109.590 108.800 -0.054 0.000 2.578 370 G HA2 0.360 4.320 3.960 -0.000 0.000 0.275 370 G HA3 0.360 4.320 3.960 -0.000 0.000 0.275 370 G C 1.210 176.074 174.900 -0.060 0.000 1.271 370 G CA 2.114 47.194 45.100 -0.034 0.000 0.941 370 G HN 3.376 nan 8.290 nan 0.000 0.564 371 G N -2.510 106.265 108.800 -0.042 0.000 2.205 371 G HA2 0.523 4.483 3.960 -0.000 0.000 0.180 371 G HA3 0.523 4.483 3.960 -0.000 0.000 0.180 371 G C 1.203 176.106 174.900 0.005 0.000 1.004 371 G CA 0.858 45.933 45.100 -0.042 0.000 0.670 371 G HN 2.632 nan 8.290 nan 0.000 0.496 372 G N -0.860 107.952 108.800 0.020 0.000 2.687 372 G HA2 0.649 4.609 3.960 -0.000 0.000 0.291 372 G HA3 0.649 4.609 3.960 -0.000 0.000 0.291 372 G C -0.169 174.772 174.900 0.069 0.000 1.420 372 G CA -0.703 44.415 45.100 0.030 0.000 0.796 372 G HN 0.668 nan 8.290 nan 0.000 0.485 373 I N 0.829 121.456 120.570 0.096 0.000 2.880 373 I HA 0.112 4.282 4.170 -0.000 0.000 0.296 373 I C 1.510 177.734 176.117 0.179 0.000 1.220 373 I CA 0.543 61.969 61.300 0.210 0.000 1.435 373 I CB 1.199 39.355 38.000 0.262 0.000 1.339 373 I HN 0.578 nan 8.210 nan 0.000 0.583 374 A N 4.960 127.920 122.820 0.233 0.000 2.348 374 A HA 0.687 5.007 4.320 -0.000 0.000 0.224 374 A C 0.634 178.258 177.584 0.065 0.000 1.227 374 A CA 0.590 52.716 52.037 0.149 0.000 0.885 374 A CB 0.168 19.281 19.000 0.188 0.000 0.933 374 A HN 0.858 nan 8.150 nan 0.000 0.506 375 A N -0.120 122.758 122.820 0.096 0.000 2.594 375 A HA 0.496 4.816 4.320 -0.000 0.000 0.296 375 A C -0.259 177.344 177.584 0.032 0.000 1.056 375 A CA 0.062 52.083 52.037 -0.028 0.000 0.693 375 A CB 0.150 18.989 19.000 -0.269 0.000 1.278 375 A HN 0.254 nan 8.150 nan 0.000 0.408 376 D N 0.262 120.654 120.400 -0.013 0.000 2.363 376 D HA 0.105 4.744 4.640 -0.000 0.000 0.220 376 D C 0.629 176.908 176.300 -0.034 0.000 0.994 376 D CA 0.659 54.660 54.000 0.001 0.000 0.890 376 D CB 0.273 41.067 40.800 -0.009 0.000 0.906 376 D HN 0.451 nan 8.370 nan 0.000 0.530 377 R N -0.006 120.458 120.500 -0.060 0.000 2.532 377 R HA 0.505 4.845 4.340 -0.000 0.000 0.297 377 R C -0.104 176.168 176.300 -0.047 0.000 0.984 377 R CA 0.019 56.064 56.100 -0.091 0.000 0.884 377 R CB 1.272 31.521 30.300 -0.085 0.000 1.182 377 R HN 0.168 nan 8.270 nan 0.000 0.442 378 G N 2.452 111.095 108.800 -0.261 0.000 2.582 378 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.222 378 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.222 378 G C -1.092 173.308 174.900 -0.832 0.000 1.311 378 G CA -0.336 44.497 45.100 -0.446 0.000 0.915 378 G HN 0.596 nan 8.290 nan 0.000 0.528 379 Y N -0.053 119.932 120.300 -0.525 0.000 2.631 379 Y HA 0.548 5.098 4.550 -0.000 0.000 0.361 379 Y C 0.446 176.106 175.900 -0.400 0.000 0.941 379 Y CA -0.783 56.801 58.100 -0.860 0.000 1.327 379 Y CB 0.185 38.237 38.460 -0.681 0.000 1.299 379 Y HN 0.334 nan 8.280 nan 0.000 0.578 380 F N 1.637 121.590 119.950 0.004 0.000 2.396 380 F HA 0.473 5.000 4.527 -0.000 0.000 0.343 380 F C 0.246 176.229 175.800 0.304 0.000 1.104 380 F CA -0.806 57.278 58.000 0.140 0.000 1.161 380 F CB 0.636 39.665 39.000 0.048 0.000 1.146 380 F HN 0.004 nan 8.300 nan 0.000 0.522 381 I N 2.353 123.156 120.570 0.389 0.000 2.608 381 I HA 0.250 4.420 4.170 -0.000 0.000 0.295 381 I C -0.579 175.664 176.117 0.209 0.000 1.049 381 I CA -1.062 60.411 61.300 0.288 0.000 1.063 381 I CB 2.119 40.247 38.000 0.213 0.000 1.248 381 I HN 0.526 nan 8.210 nan 0.000 0.424 382 Q N 5.486 125.380 119.800 0.155 0.000 2.392 382 Q HA 0.192 4.532 4.340 -0.000 0.000 0.262 382 Q C -2.326 173.753 176.000 0.131 0.000 1.003 382 Q CA -1.471 54.400 55.803 0.114 0.000 0.888 382 Q CB 0.131 28.909 28.738 0.067 0.000 1.260 382 Q HN 0.257 nan 8.270 nan 0.000 0.435 383 P HA -0.012 nan 4.420 nan 0.000 0.264 383 P C -1.135 176.289 177.300 0.208 0.000 1.229 383 P CA 0.396 63.640 63.100 0.240 0.000 0.780 383 P CB 0.498 32.160 31.700 -0.065 0.000 0.808 384 T N 2.960 117.657 114.554 0.238 0.000 2.867 384 T HA 0.472 4.822 4.350 -0.000 0.000 0.282 384 T C -0.122 174.601 174.700 0.038 0.000 1.000 384 T CA -0.408 61.713 62.100 0.036 0.000 1.042 384 T CB 0.957 69.785 68.868 -0.066 0.000 0.973 384 T HN -0.051 nan 8.240 nan 0.000 0.465 385 V N 3.435 123.282 119.914 -0.112 0.000 2.577 385 V HA 0.513 4.633 4.120 -0.000 0.000 0.303 385 V C -1.107 174.868 176.094 -0.199 0.000 1.042 385 V CA -0.913 61.358 62.300 -0.049 0.000 0.872 385 V CB 1.445 33.295 31.823 0.045 0.000 0.998 385 V HN 0.839 nan 8.190 nan 0.000 0.423 386 F N 2.361 122.342 119.950 0.050 0.000 2.444 386 F HA 0.767 5.294 4.527 -0.000 0.000 0.342 386 F C 0.905 176.742 175.800 0.062 0.000 1.121 386 F CA -0.313 57.716 58.000 0.048 0.000 0.997 386 F CB 2.124 41.143 39.000 0.031 0.000 1.130 386 F HN 0.614 nan 8.300 nan 0.000 0.454 387 G N 0.758 109.726 108.800 0.280 0.000 2.521 387 G HA2 0.308 4.268 3.960 -0.000 0.000 0.323 387 G HA3 0.308 4.268 3.960 -0.000 0.000 0.323 387 G C -0.413 174.632 174.900 0.242 0.000 1.211 387 G CA -0.653 44.600 45.100 0.256 0.000 0.979 387 G HN 0.720 nan 8.290 nan 0.000 0.490 388 D N -1.213 119.347 120.400 0.266 0.000 2.737 388 D HA -0.163 4.477 4.640 -0.000 0.000 0.233 388 D C 0.607 176.953 176.300 0.076 0.000 1.155 388 D CA 0.644 54.718 54.000 0.124 0.000 0.667 388 D CB -1.039 39.812 40.800 0.084 0.000 1.060 388 D HN 0.151 nan 8.370 nan 0.000 0.427 389 V N 0.729 120.688 119.914 0.074 0.000 2.686 389 V HA 0.034 4.154 4.120 -0.000 0.000 0.295 389 V C 0.879 176.970 176.094 -0.005 0.000 1.055 389 V CA 0.111 62.418 62.300 0.013 0.000 1.050 389 V CB 1.748 33.562 31.823 -0.015 0.000 0.984 389 V HN 0.058 nan 8.190 nan 0.000 0.482 390 Q N 1.785 121.579 119.800 -0.009 0.000 2.248 390 Q HA 0.334 4.674 4.340 -0.000 0.000 0.263 390 Q C 0.487 176.496 176.000 0.015 0.000 1.007 390 Q CA -0.760 55.050 55.803 0.011 0.000 0.877 390 Q CB 1.342 30.088 28.738 0.013 0.000 1.315 390 Q HN 0.652 nan 8.270 nan 0.000 0.454 391 D N 1.067 121.498 120.400 0.052 0.000 2.149 391 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 391 D C 1.561 177.888 176.300 0.045 0.000 0.990 391 D CA 1.700 55.744 54.000 0.072 0.000 0.839 391 D CB -0.111 40.753 40.800 0.107 0.000 0.948 391 D HN 0.828 nan 8.370 nan 0.000 0.460 392 G N 0.124 108.943 108.800 0.032 0.000 2.471 392 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.219 392 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.219 392 G C 0.830 175.736 174.900 0.010 0.000 1.125 392 G CA -0.008 45.105 45.100 0.021 0.000 0.775 392 G HN 0.190 nan 8.290 nan 0.000 0.548 393 M N 0.597 120.196 119.600 -0.002 0.000 2.252 393 M HA 0.106 4.586 4.480 -0.000 0.000 0.333 393 M C 1.853 178.148 176.300 -0.010 0.000 1.111 393 M CA -0.013 55.274 55.300 -0.022 0.000 1.140 393 M CB 0.703 33.269 32.600 -0.057 0.000 1.538 393 M HN -0.079 nan 8.290 nan 0.000 0.448 394 T N 2.363 116.915 114.554 -0.002 0.000 2.708 394 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 394 T C 1.555 176.276 174.700 0.035 0.000 1.037 394 T CA 1.723 63.849 62.100 0.043 0.000 1.146 394 T CB -0.403 68.512 68.868 0.079 0.000 0.865 394 T HN 0.763 nan 8.240 nan 0.000 0.435 395 I N -0.241 120.312 120.570 -0.027 0.000 2.850 395 I HA 0.126 4.296 4.170 -0.000 0.000 0.266 395 I C 2.086 178.155 176.117 -0.079 0.000 1.257 395 I CA 0.934 62.183 61.300 -0.085 0.000 1.465 395 I CB -0.393 37.480 38.000 -0.212 0.000 1.091 395 I HN 0.079 nan 8.210 nan 0.000 0.467 396 A N 0.690 123.482 122.820 -0.046 0.000 2.348 396 A HA 0.261 4.581 4.320 -0.000 0.000 0.224 396 A C 1.945 179.547 177.584 0.031 0.000 1.227 396 A CA -0.071 51.952 52.037 -0.023 0.000 0.885 396 A CB -0.029 18.955 19.000 -0.027 0.000 0.933 396 A HN 0.447 nan 8.150 nan 0.000 0.506 397 K N -0.603 119.822 120.400 0.041 0.000 2.550 397 K HA 0.159 4.479 4.320 -0.000 0.000 0.205 397 K C -0.319 176.356 176.600 0.126 0.000 1.429 397 K CA 0.154 56.491 56.287 0.084 0.000 0.997 397 K CB 0.879 33.416 32.500 0.062 0.000 1.328 397 K HN 0.374 nan 8.250 nan 0.000 0.546 398 E N 2.180 122.428 120.200 0.079 0.000 2.175 398 E HA 0.091 4.441 4.350 -0.000 0.000 0.278 398 E C -1.048 175.505 176.600 -0.077 0.000 0.969 398 E CA -0.314 56.135 56.400 0.081 0.000 0.796 398 E CB 1.803 31.588 29.700 0.141 0.000 1.104 398 E HN 0.071 nan 8.360 nan 0.000 0.395 399 E N 3.768 123.969 120.200 0.002 0.000 2.383 399 E HA -0.053 4.297 4.350 -0.000 0.000 0.257 399 E C 0.383 176.857 176.600 -0.210 0.000 1.079 399 E CA 0.024 56.377 56.400 -0.077 0.000 0.934 399 E CB 0.316 29.977 29.700 -0.065 0.000 0.978 399 E HN 0.562 nan 8.360 nan 0.000 0.462 400 I N 4.450 124.845 120.570 -0.293 0.000 2.406 400 I HA -0.114 4.056 4.170 -0.000 0.000 0.249 400 I C 0.560 176.714 176.117 0.062 0.000 1.122 400 I CA 0.162 61.221 61.300 -0.401 0.000 1.431 400 I CB 0.033 37.809 38.000 -0.373 0.000 1.087 400 I HN 0.683 nan 8.210 nan 0.000 0.424 401 F N 1.413 121.295 119.950 -0.113 0.000 3.080 401 F HA -0.175 4.352 4.527 -0.000 0.000 0.292 401 F C 0.433 176.235 175.800 0.003 0.000 0.891 401 F CA 0.631 58.615 58.000 -0.025 0.000 1.086 401 F CB -1.388 37.647 39.000 0.058 0.000 1.095 401 F HN 0.151 nan 8.300 nan 0.000 0.633 402 G N -0.653 108.141 108.800 -0.010 0.000 2.727 402 G HA2 0.637 4.597 3.960 -0.000 0.000 0.289 402 G HA3 0.637 4.597 3.960 -0.000 0.000 0.289 402 G C -2.903 171.920 174.900 -0.128 0.000 1.418 402 G CA -0.746 44.338 45.100 -0.027 0.000 0.818 402 G HN -0.151 nan 8.290 nan 0.000 0.486 403 P HA 0.215 nan 4.420 nan 0.000 0.232 403 P C -0.549 176.644 177.300 -0.177 0.000 1.738 403 P CA 0.044 63.063 63.100 -0.135 0.000 0.948 403 P CB 0.040 31.846 31.700 0.177 0.000 1.943 404 V N 2.554 122.308 119.914 -0.267 0.000 2.409 404 V HA 0.351 4.471 4.120 -0.000 0.000 0.290 404 V C 0.268 176.242 176.094 -0.200 0.000 1.017 404 V CA -0.679 61.549 62.300 -0.119 0.000 0.841 404 V CB 1.945 33.806 31.823 0.062 0.000 1.003 404 V HN 0.260 nan 8.190 nan 0.000 0.426 405 M N 4.055 123.546 119.600 -0.181 0.000 2.264 405 M HA 0.595 5.075 4.480 -0.000 0.000 0.352 405 M C -0.802 175.534 176.300 0.059 0.000 1.173 405 M CA -0.290 54.930 55.300 -0.134 0.000 1.075 405 M CB 1.481 34.020 32.600 -0.102 0.000 1.621 405 M HN 0.633 nan 8.290 nan 0.000 0.457 406 Q N 4.928 124.742 119.800 0.024 0.000 2.333 406 Q HA 0.574 4.914 4.340 -0.000 0.000 0.268 406 Q C -1.346 174.662 176.000 0.014 0.000 1.007 406 Q CA -0.006 55.830 55.803 0.054 0.000 0.810 406 Q CB 1.808 30.535 28.738 -0.019 0.000 1.264 406 Q HN 0.690 nan 8.270 nan 0.000 0.452 407 I N 3.733 124.346 120.570 0.073 0.000 2.362 407 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 407 I C -0.878 175.298 176.117 0.098 0.000 0.994 407 I CA -0.898 60.448 61.300 0.077 0.000 1.158 407 I CB 0.809 38.888 38.000 0.131 0.000 1.315 407 I HN 0.306 nan 8.210 nan 0.000 0.451 408 L N 6.457 127.665 121.223 -0.025 0.000 2.330 408 L HA 0.538 4.878 4.340 -0.000 0.000 0.271 408 L C -0.078 176.922 176.870 0.216 0.000 1.013 408 L CA -0.470 54.358 54.840 -0.020 0.000 0.816 408 L CB 1.317 43.121 42.059 -0.426 0.000 1.287 408 L HN 0.475 nan 8.230 nan 0.000 0.435 409 K N 1.728 122.229 120.400 0.167 0.000 2.207 409 K HA 0.706 5.026 4.320 -0.000 0.000 0.255 409 K C -1.466 175.282 176.600 0.248 0.000 0.941 409 K CA -0.451 55.904 56.287 0.113 0.000 0.825 409 K CB 1.386 33.660 32.500 -0.376 0.000 1.119 409 K HN 0.514 nan 8.250 nan 0.000 0.430 410 F N 1.049 121.072 119.950 0.122 0.000 2.664 410 F HA 0.487 5.014 4.527 -0.000 0.000 0.317 410 F C 0.112 175.953 175.800 0.069 0.000 1.108 410 F CA -0.911 57.157 58.000 0.114 0.000 0.957 410 F CB 1.558 40.661 39.000 0.172 0.000 1.365 410 F HN 0.548 nan 8.300 nan 0.000 0.475 411 K N -0.155 120.346 120.400 0.168 0.000 2.363 411 K HA 0.234 4.554 4.320 -0.000 0.000 0.215 411 K C 0.227 176.928 176.600 0.167 0.000 1.179 411 K CA 0.857 57.164 56.287 0.034 0.000 0.856 411 K CB 0.294 32.822 32.500 0.046 0.000 1.371 411 K HN 0.899 nan 8.250 nan 0.000 0.455 412 T N -1.376 113.339 114.554 0.269 0.000 2.902 412 T HA 0.244 4.594 4.350 -0.000 0.000 0.280 412 T C 1.220 176.099 174.700 0.297 0.000 0.992 412 T CA -0.756 61.477 62.100 0.221 0.000 1.015 412 T CB 1.405 70.343 68.868 0.116 0.000 1.044 412 T HN 0.232 nan 8.240 nan 0.000 0.520 413 I N 0.158 120.840 120.570 0.188 0.000 2.500 413 I HA -0.039 4.131 4.170 -0.000 0.000 0.252 413 I C 2.108 178.285 176.117 0.100 0.000 1.142 413 I CA 1.157 62.541 61.300 0.140 0.000 1.451 413 I CB -0.033 38.017 38.000 0.083 0.000 1.093 413 I HN 0.737 nan 8.210 nan 0.000 0.430 414 E N 0.662 120.918 120.200 0.093 0.000 2.150 414 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 414 E C 1.929 178.551 176.600 0.038 0.000 0.985 414 E CA 1.144 57.605 56.400 0.101 0.000 0.814 414 E CB -0.151 29.595 29.700 0.076 0.000 0.752 414 E HN 0.514 nan 8.360 nan 0.000 0.466 415 E N 0.461 120.683 120.200 0.037 0.000 2.028 415 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 415 E C 2.102 178.632 176.600 -0.117 0.000 0.988 415 E CA 1.050 57.457 56.400 0.012 0.000 0.799 415 E CB -0.043 29.716 29.700 0.098 0.000 0.755 415 E HN 0.172 nan 8.360 nan 0.000 0.447 416 V N 0.650 120.398 119.914 -0.277 0.000 2.594 416 V HA -0.193 3.927 4.120 -0.000 0.000 0.253 416 V C 2.291 178.069 176.094 -0.525 0.000 1.069 416 V CA 1.355 63.250 62.300 -0.676 0.000 1.082 416 V CB -0.009 30.986 31.823 -1.379 0.000 0.680 416 V HN 0.207 nan 8.190 nan 0.000 0.469 417 V N 0.651 120.395 119.914 -0.284 0.000 2.261 417 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 417 V C 2.704 178.684 176.094 -0.189 0.000 1.047 417 V CA 2.267 64.441 62.300 -0.209 0.000 1.015 417 V CB -1.461 30.299 31.823 -0.105 0.000 0.642 417 V HN 0.619 nan 8.190 nan 0.000 0.446 418 G N -0.379 108.341 108.800 -0.132 0.000 2.440 418 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 418 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 418 G C 1.747 176.586 174.900 -0.102 0.000 1.154 418 G CA 0.793 45.839 45.100 -0.090 0.000 0.767 418 G HN 0.454 nan 8.290 nan 0.000 0.552 419 R N 0.396 120.802 120.500 -0.156 0.000 2.090 419 R HA 0.139 4.479 4.340 -0.000 0.000 0.228 419 R C 3.018 179.214 176.300 -0.174 0.000 1.110 419 R CA 0.961 56.989 56.100 -0.121 0.000 0.973 419 R CB -0.299 29.942 30.300 -0.098 0.000 0.869 419 R HN 0.348 nan 8.270 nan 0.000 0.440 420 A N 1.696 124.276 122.820 -0.399 0.000 1.873 420 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 420 A C 1.651 179.177 177.584 -0.098 0.000 1.186 420 A CA 1.389 53.238 52.037 -0.313 0.000 0.616 420 A CB -0.371 18.388 19.000 -0.401 0.000 0.823 420 A HN 0.214 nan 8.150 nan 0.000 0.442 421 N N 0.476 119.111 118.700 -0.107 0.000 2.550 421 N HA -0.069 4.671 4.740 -0.000 0.000 0.186 421 N C 0.233 175.734 175.510 -0.015 0.000 1.110 421 N CA 0.369 53.388 53.050 -0.052 0.000 0.912 421 N CB -0.472 37.977 38.487 -0.065 0.000 0.968 421 N HN 0.383 nan 8.380 nan 0.000 0.448 422 N N 0.880 119.576 118.700 -0.008 0.000 3.050 422 N HA 0.053 4.793 4.740 -0.000 0.000 0.289 422 N C -1.346 174.190 175.510 0.043 0.000 1.209 422 N CA 0.104 53.163 53.050 0.015 0.000 1.154 422 N CB -0.205 38.294 38.487 0.021 0.000 1.444 422 N HN -0.111 nan 8.380 nan 0.000 0.529 423 S N -0.228 115.493 115.700 0.036 0.000 2.543 423 S HA 0.273 4.743 4.470 -0.000 0.000 0.274 423 S C 0.753 175.352 174.600 -0.002 0.000 1.149 423 S CA -0.563 57.665 58.200 0.047 0.000 0.866 423 S CB 0.640 63.917 63.200 0.128 0.000 1.111 423 S HN 0.281 nan 8.310 nan 0.000 0.457 424 T N 2.413 116.905 114.554 -0.105 0.000 3.035 424 T HA 0.130 4.480 4.350 -0.000 0.000 0.268 424 T C 0.136 174.735 174.700 -0.167 0.000 1.109 424 T CA 1.210 63.193 62.100 -0.196 0.000 1.119 424 T CB -0.332 68.328 68.868 -0.347 0.000 0.900 424 T HN 0.547 nan 8.240 nan 0.000 0.503 425 Y N -0.157 120.165 120.300 0.037 0.000 2.374 425 Y HA 0.552 5.102 4.550 -0.000 0.000 0.322 425 Y C 1.296 177.219 175.900 0.038 0.000 1.275 425 Y CA -0.922 57.203 58.100 0.042 0.000 1.307 425 Y CB 1.303 39.795 38.460 0.053 0.000 1.282 425 Y HN -0.010 nan 8.280 nan 0.000 0.509 426 G N 0.851 109.787 108.800 0.227 0.000 5.569 426 G HA2 0.085 4.045 3.960 -0.000 0.000 0.192 426 G HA3 0.085 4.045 3.960 -0.000 0.000 0.192 426 G C -0.187 174.720 174.900 0.013 0.000 0.708 426 G CA -0.260 44.895 45.100 0.092 0.000 0.628 426 G HN 0.529 nan 8.290 nan 0.000 0.345 427 L N 0.752 121.997 121.223 0.035 0.000 2.034 427 L HA 0.747 5.087 4.340 -0.000 0.000 0.203 427 L C 1.215 178.067 176.870 -0.030 0.000 1.074 427 L CA 2.347 57.182 54.840 -0.009 0.000 0.748 427 L CB -0.144 41.937 42.059 0.037 0.000 0.905 427 L HN 0.417 nan 8.230 nan 0.000 0.439 428 A N -2.042 120.790 122.820 0.020 0.000 2.564 428 A HA 0.911 5.231 4.320 -0.000 0.000 0.288 428 A C -1.348 176.224 177.584 -0.019 0.000 1.164 428 A CA -0.081 51.912 52.037 -0.072 0.000 0.712 428 A CB 1.187 20.212 19.000 0.042 0.000 1.303 428 A HN 0.541 nan 8.150 nan 0.000 0.418 429 A N -1.189 121.579 122.820 -0.086 0.000 2.601 429 A HA 0.966 5.286 4.320 -0.000 0.000 0.291 429 A C -0.713 176.939 177.584 0.114 0.000 1.075 429 A CA 0.080 52.151 52.037 0.057 0.000 0.671 429 A CB 0.732 19.705 19.000 -0.045 0.000 1.277 429 A HN 2.648 nan 8.150 nan 0.000 0.417 430 A N -0.247 122.739 122.820 0.277 0.000 2.572 430 A HA 0.805 5.125 4.320 -0.000 0.000 0.295 430 A C -1.575 176.186 177.584 0.295 0.000 1.072 430 A CA -0.517 51.726 52.037 0.344 0.000 0.691 430 A CB 1.679 21.096 19.000 0.696 0.000 1.291 430 A HN 1.774 nan 8.150 nan 0.000 0.404 431 V N 1.353 121.376 119.914 0.182 0.000 2.569 431 V HA 0.496 4.616 4.120 -0.000 0.000 0.301 431 V C -1.651 174.491 176.094 0.080 0.000 1.044 431 V CA -0.203 62.205 62.300 0.180 0.000 0.874 431 V CB 1.367 33.243 31.823 0.088 0.000 1.002 431 V HN 0.714 nan 8.190 nan 0.000 0.424 432 F N 2.992 123.050 119.950 0.181 0.000 2.402 432 F HA 0.784 5.311 4.527 -0.000 0.000 0.355 432 F C 0.415 176.319 175.800 0.174 0.000 1.123 432 F CA -0.167 57.950 58.000 0.195 0.000 1.021 432 F CB 2.046 41.165 39.000 0.199 0.000 1.160 432 F HN 0.486 nan 8.300 nan 0.000 0.451 433 T N 1.979 116.689 114.554 0.260 0.000 2.775 433 T HA 0.275 4.625 4.350 -0.000 0.000 0.320 433 T C 0.114 174.903 174.700 0.148 0.000 1.597 433 T CA -0.675 61.544 62.100 0.198 0.000 1.022 433 T CB 1.538 70.502 68.868 0.160 0.000 1.485 433 T HN 0.643 nan 8.240 nan 0.000 0.494 434 K N 0.488 120.961 120.400 0.123 0.000 2.353 434 K HA 0.189 4.508 4.320 -0.000 0.000 0.195 434 K C -0.320 176.320 176.600 0.066 0.000 1.031 434 K CA -0.084 56.256 56.287 0.089 0.000 1.079 434 K CB 0.326 32.876 32.500 0.083 0.000 0.857 434 K HN 0.464 nan 8.250 nan 0.000 0.535 435 D N 0.969 121.412 120.400 0.071 0.000 2.277 435 D HA 0.025 4.665 4.640 -0.000 0.000 0.249 435 D C 0.823 177.155 176.300 0.052 0.000 1.134 435 D CA -0.263 53.771 54.000 0.055 0.000 0.863 435 D CB 1.144 41.977 40.800 0.054 0.000 1.143 435 D HN -0.166 nan 8.370 nan 0.000 0.458 436 L N 4.074 125.321 121.223 0.040 0.000 1.976 436 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 436 L C 1.319 178.217 176.870 0.047 0.000 1.071 436 L CA 1.926 56.788 54.840 0.038 0.000 0.746 436 L CB -0.516 41.560 42.059 0.028 0.000 0.890 436 L HN 0.493 nan 8.230 nan 0.000 0.432 437 D N -0.303 120.123 120.400 0.043 0.000 2.149 437 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 437 D C 2.205 178.554 176.300 0.081 0.000 0.990 437 D CA 1.334 55.365 54.000 0.051 0.000 0.839 437 D CB -0.050 40.764 40.800 0.023 0.000 0.948 437 D HN 0.417 nan 8.370 nan 0.000 0.460 438 K N 0.298 120.740 120.400 0.069 0.000 2.097 438 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 438 K C 2.101 178.785 176.600 0.139 0.000 1.050 438 K CA 1.005 57.354 56.287 0.103 0.000 0.938 438 K CB -0.014 32.538 32.500 0.086 0.000 0.718 438 K HN 0.024 nan 8.250 nan 0.000 0.442 439 A N 1.952 124.830 122.820 0.096 0.000 1.877 439 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 439 A C 1.800 179.421 177.584 0.063 0.000 1.186 439 A CA 1.598 53.678 52.037 0.072 0.000 0.620 439 A CB -0.429 18.600 19.000 0.047 0.000 0.822 439 A HN 0.209 nan 8.150 nan 0.000 0.443 440 N N -1.504 117.239 118.700 0.072 0.000 2.188 440 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 440 N C 1.576 177.131 175.510 0.075 0.000 1.018 440 N CA 1.569 54.653 53.050 0.057 0.000 0.858 440 N CB -0.621 37.900 38.487 0.056 0.000 0.989 440 N HN 0.665 nan 8.380 nan 0.000 0.426 441 Y N 1.669 121.966 120.300 -0.006 0.000 2.114 441 Y HA -0.089 4.461 4.550 -0.000 0.000 0.284 441 Y C 2.161 178.047 175.900 -0.023 0.000 1.143 441 Y CA 1.474 59.568 58.100 -0.010 0.000 1.135 441 Y CB -0.439 38.019 38.460 -0.002 0.000 0.980 441 Y HN -0.047 nan 8.280 nan 0.000 0.499 442 L N -0.243 121.015 121.223 0.058 0.000 2.056 442 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 442 L C 2.713 179.515 176.870 -0.113 0.000 1.078 442 L CA 1.480 56.283 54.840 -0.060 0.000 0.749 442 L CB -0.823 41.265 42.059 0.048 0.000 0.901 442 L HN 0.371 nan 8.230 nan 0.000 0.433 443 S N -0.948 114.709 115.700 -0.071 0.000 2.419 443 S HA -0.275 4.195 4.470 -0.000 0.000 0.233 443 S C 1.879 176.405 174.600 -0.123 0.000 1.016 443 S CA 1.279 59.422 58.200 -0.096 0.000 0.974 443 S CB -0.288 62.869 63.200 -0.070 0.000 0.786 443 S HN 0.514 nan 8.310 nan 0.000 0.492 444 Q N 1.056 120.779 119.800 -0.128 0.000 2.089 444 Q HA 0.170 4.510 4.340 -0.000 0.000 0.195 444 Q C 2.278 178.175 176.000 -0.171 0.000 0.963 444 Q CA 0.918 56.643 55.803 -0.129 0.000 0.834 444 Q CB -0.451 28.220 28.738 -0.110 0.000 0.906 444 Q HN 0.663 nan 8.270 nan 0.000 0.452 445 A N 0.875 123.533 122.820 -0.271 0.000 1.969 445 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 445 A C 0.974 178.436 177.584 -0.205 0.000 1.169 445 A CA 0.311 52.173 52.037 -0.291 0.000 0.635 445 A CB -0.487 18.208 19.000 -0.509 0.000 0.810 445 A HN 0.379 nan 8.150 nan 0.000 0.445 446 L N 0.922 122.027 121.223 -0.197 0.000 2.462 446 L HA 0.036 4.376 4.340 -0.000 0.000 0.272 446 L C 0.143 176.898 176.870 -0.192 0.000 1.166 446 L CA -0.084 54.650 54.840 -0.177 0.000 0.880 446 L CB 0.407 42.365 42.059 -0.167 0.000 1.142 446 L HN 0.403 nan 8.230 nan 0.000 0.473 447 Q N 3.835 123.538 119.800 -0.161 0.000 3.006 447 Q HA 0.487 4.827 4.340 -0.000 0.000 0.260 447 Q C -0.329 175.439 176.000 -0.387 0.000 1.356 447 Q CA -0.289 55.412 55.803 -0.171 0.000 1.070 447 Q CB 0.722 29.473 28.738 0.022 0.000 1.507 447 Q HN 0.702 nan 8.270 nan 0.000 0.568 448 A N -0.308 122.097 122.820 -0.691 0.000 2.498 448 A HA 0.701 5.021 4.320 -0.000 0.000 0.298 448 A C 0.924 177.909 177.584 -0.999 0.000 1.075 448 A CA -0.412 51.216 52.037 -0.681 0.000 0.714 448 A CB 1.226 20.019 19.000 -0.346 0.000 1.299 448 A HN 0.529 nan 8.150 nan 0.000 0.407 449 G N -0.024 108.383 108.800 -0.655 0.000 2.422 449 G HA2 0.244 4.203 3.960 -0.000 0.000 0.218 449 G HA3 0.244 4.203 3.960 -0.000 0.000 0.218 449 G C 0.532 175.243 174.900 -0.315 0.000 1.146 449 G CA 1.717 46.603 45.100 -0.357 0.000 0.769 449 G HN 0.827 nan 8.290 nan 0.000 0.547 450 T N -0.438 113.888 114.554 -0.380 0.000 2.861 450 T HA 0.552 4.902 4.350 -0.000 0.000 0.287 450 T C -1.181 173.103 174.700 -0.693 0.000 1.003 450 T CA -0.420 61.341 62.100 -0.566 0.000 0.977 450 T CB 2.817 71.234 68.868 -0.752 0.000 0.996 450 T HN -0.074 nan 8.240 nan 0.000 0.448 451 V N 3.261 122.778 119.914 -0.661 0.000 2.482 451 V HA 0.419 4.538 4.120 -0.000 0.000 0.295 451 V C -0.930 174.903 176.094 -0.435 0.000 1.026 451 V CA -1.032 60.992 62.300 -0.460 0.000 0.856 451 V CB 1.482 33.142 31.823 -0.273 0.000 1.001 451 V HN 0.788 nan 8.190 nan 0.000 0.424 452 W N 3.480 124.644 121.300 -0.227 0.000 2.417 452 W HA 0.661 5.321 4.660 -0.000 0.000 0.317 452 W C -0.561 175.827 176.519 -0.217 0.000 1.121 452 W CA -0.725 56.474 57.345 -0.242 0.000 1.208 452 W CB 1.984 31.244 29.460 -0.332 0.000 1.253 452 W HN 0.272 nan 8.180 nan 0.000 0.533 453 V N 4.746 124.671 119.914 0.019 0.000 2.357 453 V HA 0.126 4.246 4.120 -0.000 0.000 0.284 453 V C 0.166 176.146 176.094 -0.189 0.000 1.018 453 V CA -0.842 61.401 62.300 -0.094 0.000 0.841 453 V CB 1.059 32.858 31.823 -0.038 0.000 0.991 453 V HN 0.672 nan 8.190 nan 0.000 0.437 454 N N 2.171 120.559 118.700 -0.520 0.000 2.747 454 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 454 N C -0.312 175.097 175.510 -0.169 0.000 1.107 454 N CA 1.259 54.018 53.050 -0.485 0.000 0.707 454 N CB -1.162 37.346 38.487 0.035 0.000 1.054 454 N HN 1.065 nan 8.380 nan 0.000 0.555 455 C N -4.466 114.576 119.300 -0.429 0.000 3.259 455 C HA 0.785 5.245 4.460 -0.000 0.000 0.344 455 C C -1.092 173.849 174.990 -0.081 0.000 1.401 455 C CA -1.430 57.576 59.018 -0.021 0.000 1.219 455 C CB 1.658 29.418 27.740 0.033 0.000 1.521 455 C HN 0.268 nan 8.230 nan 0.000 0.455 456 Y N -0.228 119.823 120.300 -0.415 0.000 2.592 456 Y HA 0.472 5.022 4.550 -0.000 0.000 0.334 456 Y C -0.265 174.921 175.900 -1.191 0.000 1.136 456 Y CA 0.357 57.930 58.100 -0.878 0.000 1.042 456 Y CB 1.393 39.703 38.460 -0.250 0.000 1.325 456 Y HN 1.020 nan 8.280 nan 0.000 0.457 457 D N 1.589 120.746 120.400 -2.072 0.000 2.811 457 D HA -0.142 4.498 4.640 -0.000 0.000 0.231 457 D C -0.905 174.830 176.300 -0.943 0.000 1.157 457 D CA 0.961 54.247 54.000 -1.191 0.000 0.716 457 D CB -1.068 39.585 40.800 -0.246 0.000 1.077 457 D HN 0.152 nan 8.370 nan 0.000 0.428 458 V N 1.207 120.441 119.914 -1.133 0.000 2.356 458 V HA 0.275 4.395 4.120 -0.000 0.000 0.258 458 V C 0.403 176.314 176.094 -0.306 0.000 1.065 458 V CA -0.082 61.965 62.300 -0.422 0.000 0.935 458 V CB -0.138 31.560 31.823 -0.208 0.000 1.061 458 V HN 0.005 nan 8.190 nan 0.000 0.484 459 F N 2.791 122.776 119.950 0.057 0.000 2.449 459 F HA 0.723 5.250 4.527 -0.000 0.000 0.342 459 F C 0.825 176.621 175.800 -0.007 0.000 1.127 459 F CA -0.529 57.484 58.000 0.022 0.000 0.975 459 F CB 1.945 40.943 39.000 -0.004 0.000 1.146 459 F HN 0.504 nan 8.300 nan 0.000 0.444 460 G N 0.743 109.610 108.800 0.112 0.000 2.400 460 G HA2 0.508 4.468 3.960 -0.000 0.000 0.333 460 G HA3 0.508 4.468 3.960 -0.000 0.000 0.333 460 G C 0.501 175.342 174.900 -0.098 0.000 1.143 460 G CA -0.476 44.627 45.100 0.005 0.000 0.914 460 G HN 0.851 nan 8.290 nan 0.000 0.480 461 A N 1.068 123.780 122.820 -0.181 0.000 2.076 461 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 461 A C 2.156 179.229 177.584 -0.851 0.000 1.160 461 A CA 1.886 53.707 52.037 -0.360 0.000 0.653 461 A CB -0.136 18.701 19.000 -0.272 0.000 0.801 461 A HN 0.648 nan 8.150 nan 0.000 0.455 462 Q N -0.582 118.726 119.800 -0.821 0.000 2.408 462 Q HA 0.163 4.503 4.340 -0.000 0.000 0.205 462 Q C 0.034 175.939 176.000 -0.157 0.000 0.919 462 Q CA 0.439 55.818 55.803 -0.707 0.000 0.932 462 Q CB -0.314 28.208 28.738 -0.359 0.000 1.058 462 Q HN 0.365 nan 8.270 nan 0.000 0.517 463 S N 4.204 119.834 115.700 -0.117 0.000 2.457 463 S HA 0.405 4.875 4.470 -0.000 0.000 0.289 463 S C -2.362 172.241 174.600 0.006 0.000 1.163 463 S CA -1.133 57.061 58.200 -0.010 0.000 1.078 463 S CB 1.344 64.540 63.200 -0.006 0.000 0.987 463 S HN 0.195 nan 8.310 nan 0.000 0.482 464 P HA 0.208 nan 4.420 nan 0.000 0.272 464 P C -0.993 176.356 177.300 0.083 0.000 1.223 464 P CA -0.296 62.821 63.100 0.029 0.000 0.784 464 P CB 0.375 32.018 31.700 -0.094 0.000 0.923 465 F N 2.195 122.063 119.950 -0.136 0.000 2.610 465 F HA 0.622 5.149 4.527 -0.000 0.000 0.355 465 F C -0.304 175.451 175.800 -0.076 0.000 1.140 465 F CA -0.447 57.495 58.000 -0.098 0.000 1.037 465 F CB 1.025 39.941 39.000 -0.141 0.000 1.287 465 F HN 0.446 nan 8.300 nan 0.000 0.457 466 G N 1.684 110.330 108.800 -0.256 0.000 2.798 466 G HA2 0.685 4.645 3.960 -0.000 0.000 0.286 466 G HA3 0.685 4.645 3.960 -0.000 0.000 0.286 466 G C -1.230 173.519 174.900 -0.252 0.000 1.389 466 G CA -0.684 44.246 45.100 -0.283 0.000 0.894 466 G HN 0.900 nan 8.290 nan 0.000 0.488 467 G N -1.648 107.079 108.800 -0.122 0.000 2.619 467 G HA2 0.571 4.531 3.960 -0.000 0.000 0.296 467 G HA3 0.571 4.531 3.960 -0.000 0.000 0.296 467 G C -1.720 173.303 174.900 0.205 0.000 1.334 467 G CA -0.513 44.591 45.100 0.008 0.000 0.934 467 G HN 0.340 nan 8.290 nan 0.000 0.476 468 Y N 0.631 120.889 120.300 -0.070 0.000 2.458 468 Y HA 0.502 5.052 4.550 -0.000 0.000 0.322 468 Y C 1.505 177.394 175.900 -0.018 0.000 1.259 468 Y CA -0.981 57.089 58.100 -0.049 0.000 1.302 468 Y CB 1.292 39.722 38.460 -0.049 0.000 1.314 468 Y HN 0.874 nan 8.280 nan 0.000 0.509 469 K N -0.421 120.047 120.400 0.112 0.000 1.699 469 K HA -0.322 3.998 4.320 -0.000 0.000 0.127 469 K C 0.467 177.093 176.600 0.044 0.000 1.157 469 K CA 2.089 58.410 56.287 0.056 0.000 0.341 469 K CB -1.075 31.468 32.500 0.072 0.000 0.645 469 K HN 0.655 nan 8.250 nan 0.000 0.848 470 M N 1.016 120.647 119.600 0.052 0.000 2.551 470 M HA 0.082 4.562 4.480 -0.000 0.000 0.252 470 M C 0.541 176.940 176.300 0.165 0.000 1.219 470 M CA 0.208 55.543 55.300 0.057 0.000 0.978 470 M CB 0.523 33.109 32.600 -0.023 0.000 1.533 470 M HN 0.302 nan 8.290 nan 0.000 0.474 471 S N 0.175 115.982 115.700 0.178 0.000 2.548 471 S HA 0.370 4.840 4.470 -0.000 0.000 0.215 471 S C 0.833 175.466 174.600 0.055 0.000 0.976 471 S CA 0.424 58.724 58.200 0.167 0.000 0.908 471 S CB 0.435 63.713 63.200 0.130 0.000 0.781 471 S HN 0.747 nan 8.310 nan 0.000 0.519 472 G N 0.719 109.543 108.800 0.041 0.000 2.350 472 G HA2 0.354 4.314 3.960 -0.000 0.000 0.282 472 G HA3 0.354 4.314 3.960 -0.000 0.000 0.282 472 G C -1.393 173.494 174.900 -0.022 0.000 1.314 472 G CA -0.304 44.796 45.100 -0.000 0.000 0.915 472 G HN 0.724 nan 8.290 nan 0.000 0.499 473 S N -1.475 114.200 115.700 -0.042 0.000 2.547 473 S HA 0.947 5.417 4.470 -0.000 0.000 0.270 473 S C 0.361 174.920 174.600 -0.069 0.000 1.150 473 S CA 0.534 58.699 58.200 -0.059 0.000 0.850 473 S CB 1.363 64.532 63.200 -0.051 0.000 1.118 473 S HN 3.035 nan 8.310 nan 0.000 0.461 474 G N 1.086 109.840 108.800 -0.077 0.000 2.829 474 G HA2 0.124 4.084 3.960 -0.000 0.000 0.628 474 G HA3 0.124 4.084 3.960 -0.000 0.000 0.628 474 G C -1.137 173.717 174.900 -0.077 0.000 1.412 474 G CA -0.202 44.853 45.100 -0.075 0.000 0.864 474 G HN 1.026 nan 8.290 nan 0.000 0.544 475 Q N -0.483 119.285 119.800 -0.053 0.000 2.501 475 Q HA 0.670 5.009 4.340 -0.000 0.000 0.288 475 Q C -0.601 175.403 176.000 0.005 0.000 1.051 475 Q CA -0.812 54.965 55.803 -0.043 0.000 0.788 475 Q CB 2.403 31.117 28.738 -0.040 0.000 1.469 475 Q HN 0.672 nan 8.270 nan 0.000 0.416 476 E N 0.861 121.057 120.200 -0.007 0.000 2.312 476 E HA 0.669 5.018 4.350 -0.000 0.000 0.267 476 E C -1.085 175.475 176.600 -0.067 0.000 0.894 476 E CA -0.791 55.596 56.400 -0.022 0.000 0.773 476 E CB 1.871 31.540 29.700 -0.052 0.000 1.241 476 E HN 0.447 nan 8.360 nan 0.000 0.432 477 L N 0.479 121.694 121.223 -0.013 0.000 0.585 477 L HA -0.242 4.098 4.340 -0.000 0.000 0.356 477 L C 0.483 177.475 176.870 0.203 0.000 1.004 477 L CA 0.869 55.747 54.840 0.064 0.000 1.223 477 L CB -0.974 40.929 42.059 -0.260 0.000 0.012 477 L HN 1.025 nan 8.230 nan 0.000 0.091 478 G N 0.802 109.738 108.800 0.226 0.000 2.855 478 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.352 478 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.352 478 G C 0.350 175.415 174.900 0.275 0.000 1.415 478 G CA 0.689 45.988 45.100 0.331 0.000 0.871 478 G HN 1.112 nan 8.290 nan 0.000 0.543 479 E N -0.898 119.394 120.200 0.154 0.000 2.153 479 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 479 E C 2.065 178.472 176.600 -0.322 0.000 0.988 479 E CA 1.872 58.069 56.400 -0.339 0.000 0.811 479 E CB -0.150 29.395 29.700 -0.259 0.000 0.746 479 E HN 0.631 nan 8.360 nan 0.000 0.466 480 Y N -0.404 119.865 120.300 -0.051 0.000 2.333 480 Y HA -0.049 4.501 4.550 -0.000 0.000 0.290 480 Y C 2.416 178.276 175.900 -0.066 0.000 1.144 480 Y CA 0.931 59.005 58.100 -0.044 0.000 1.228 480 Y CB -0.674 37.782 38.460 -0.007 0.000 0.985 480 Y HN 0.134 nan 8.280 nan 0.000 0.542 481 G N 0.164 109.041 108.800 0.129 0.000 2.448 481 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 481 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 481 G C 1.508 176.425 174.900 0.028 0.000 1.127 481 G CA 0.880 46.047 45.100 0.111 0.000 0.766 481 G HN 0.411 nan 8.290 nan 0.000 0.552 482 L N -0.378 120.724 121.223 -0.202 0.000 2.313 482 L HA 0.007 4.347 4.340 -0.000 0.000 0.214 482 L C 2.955 179.614 176.870 -0.353 0.000 1.119 482 L CA 0.507 55.090 54.840 -0.429 0.000 0.809 482 L CB -0.399 40.986 42.059 -1.122 0.000 0.933 482 L HN 0.237 nan 8.230 nan 0.000 0.449 483 Q N 0.538 120.209 119.800 -0.216 0.000 2.096 483 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 483 Q C 2.507 178.448 176.000 -0.100 0.000 0.982 483 Q CA 1.748 57.502 55.803 -0.082 0.000 0.850 483 Q CB -0.312 28.419 28.738 -0.012 0.000 0.901 483 Q HN 0.573 nan 8.270 nan 0.000 0.422 484 A N -0.064 122.677 122.820 -0.131 0.000 2.019 484 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 484 A C 1.024 178.355 177.584 -0.421 0.000 1.164 484 A CA 1.043 52.916 52.037 -0.274 0.000 0.644 484 A CB -0.388 18.401 19.000 -0.351 0.000 0.805 484 A HN 0.425 nan 8.150 nan 0.000 0.449 485 Y N -0.262 119.982 120.300 -0.094 0.000 2.571 485 Y HA 0.243 4.793 4.550 -0.000 0.000 0.275 485 Y C 0.382 176.255 175.900 -0.045 0.000 1.179 485 Y CA 0.080 58.138 58.100 -0.070 0.000 1.242 485 Y CB 0.340 38.753 38.460 -0.078 0.000 1.126 485 Y HN 0.041 nan 8.280 nan 0.000 0.524 486 T N 0.192 114.760 114.554 0.023 0.000 2.863 486 T HA 0.376 4.726 4.350 -0.000 0.000 0.285 486 T C -1.019 173.684 174.700 0.005 0.000 1.009 486 T CA -0.678 61.447 62.100 0.041 0.000 0.989 486 T CB 1.973 70.866 68.868 0.042 0.000 1.004 486 T HN -0.048 nan 8.240 nan 0.000 0.455 487 E N 1.811 122.040 120.200 0.048 0.000 2.176 487 E HA 0.533 4.883 4.350 -0.000 0.000 0.267 487 E C -1.227 175.406 176.600 0.055 0.000 0.893 487 E CA -0.575 55.847 56.400 0.037 0.000 0.761 487 E CB 1.119 30.859 29.700 0.066 0.000 1.133 487 E HN 0.304 nan 8.360 nan 0.000 0.409 488 V N 5.439 125.371 119.914 0.030 0.000 2.364 488 V HA 0.300 4.420 4.120 -0.000 0.000 0.272 488 V C 0.094 176.218 176.094 0.050 0.000 1.036 488 V CA -0.599 61.747 62.300 0.077 0.000 0.880 488 V CB 1.016 32.874 31.823 0.059 0.000 0.991 488 V HN 0.557 nan 8.190 nan 0.000 0.460 489 K N 3.383 123.817 120.400 0.057 0.000 2.185 489 K HA 0.531 4.851 4.320 -0.000 0.000 0.269 489 K C -0.522 176.040 176.600 -0.063 0.000 0.987 489 K CA -0.332 55.952 56.287 -0.005 0.000 0.865 489 K CB 1.373 33.873 32.500 -0.000 0.000 1.090 489 K HN 0.651 nan 8.250 nan 0.000 0.450 490 T N 3.132 117.616 114.554 -0.116 0.000 2.771 490 T HA 0.321 4.671 4.350 -0.000 0.000 0.281 490 T C -0.951 173.564 174.700 -0.309 0.000 0.982 490 T CA -0.569 61.410 62.100 -0.203 0.000 0.978 490 T CB 1.233 70.009 68.868 -0.154 0.000 0.930 490 T HN 0.313 nan 8.240 nan 0.000 0.447 491 V N 3.889 123.464 119.914 -0.565 0.000 2.448 491 V HA 0.512 4.632 4.120 -0.000 0.000 0.295 491 V C 0.093 175.822 176.094 -0.608 0.000 1.025 491 V CA -0.669 61.248 62.300 -0.639 0.000 0.859 491 V CB 1.915 33.156 31.823 -0.969 0.000 0.988 491 V HN 0.941 nan 8.190 nan 0.000 0.431 492 T N 4.500 118.855 114.554 -0.332 0.000 2.892 492 T HA 0.476 4.826 4.350 -0.000 0.000 0.311 492 T C -0.345 174.330 174.700 -0.041 0.000 1.033 492 T CA -0.296 61.677 62.100 -0.211 0.000 0.991 492 T CB 1.232 69.969 68.868 -0.218 0.000 0.981 492 T HN 0.340 nan 8.240 nan 0.000 0.457 493 V N 3.798 123.752 119.914 0.066 0.000 2.481 493 V HA 0.447 4.567 4.120 -0.000 0.000 0.286 493 V C 0.524 176.816 176.094 0.330 0.000 1.042 493 V CA -1.048 61.373 62.300 0.201 0.000 0.928 493 V CB 1.579 33.560 31.823 0.263 0.000 0.986 493 V HN 0.690 nan 8.190 nan 0.000 0.462 494 K N 3.923 124.475 120.400 0.254 0.000 2.297 494 K HA 0.524 4.844 4.320 -0.000 0.000 0.286 494 K C -0.614 176.003 176.600 0.028 0.000 1.053 494 K CA -0.320 56.032 56.287 0.108 0.000 0.940 494 K CB 1.188 33.729 32.500 0.068 0.000 1.019 494 K HN 0.671 nan 8.250 nan 0.000 0.475 495 V N 2.045 121.924 119.914 -0.059 0.000 2.919 495 V HA 0.422 4.542 4.120 -0.000 0.000 0.316 495 V C -2.077 173.965 176.094 -0.088 0.000 1.077 495 V CA -2.014 60.267 62.300 -0.031 0.000 0.977 495 V CB 1.222 33.053 31.823 0.012 0.000 1.039 495 V HN 0.664 nan 8.190 nan 0.000 0.441 496 P HA -0.102 nan 4.420 nan 0.000 0.213 496 P C 0.039 177.294 177.300 -0.074 0.000 1.170 496 P CA 1.390 64.454 63.100 -0.061 0.000 0.902 496 P CB 0.123 31.798 31.700 -0.042 0.000 0.789 497 Q N -1.344 118.418 119.800 -0.065 0.000 2.313 497 Q HA 0.201 4.540 4.340 -0.000 0.000 0.255 497 Q C -1.150 174.821 176.000 -0.048 0.000 0.944 497 Q CA -0.756 55.011 55.803 -0.060 0.000 0.881 497 Q CB 1.330 30.040 28.738 -0.046 0.000 1.375 497 Q HN -0.168 nan 8.270 nan 0.000 0.422 498 K N 3.416 123.790 120.400 -0.043 0.000 2.218 498 K HA 0.369 4.689 4.320 -0.000 0.000 0.276 498 K C -0.956 175.636 176.600 -0.012 0.000 1.022 498 K CA -0.096 56.181 56.287 -0.017 0.000 0.946 498 K CB 0.771 33.278 32.500 0.012 0.000 1.000 498 K HN 0.649 nan 8.250 nan 0.000 0.468 499 N N 0.788 119.481 118.700 -0.011 0.000 2.416 499 N HA 0.133 4.873 4.740 -0.000 0.000 0.276 499 N C -0.944 174.564 175.510 -0.005 0.000 1.261 499 N CA -0.538 52.506 53.050 -0.010 0.000 0.790 499 N CB 2.038 40.513 38.487 -0.020 0.000 1.554 499 N HN 0.747 nan 8.380 nan 0.000 0.481 500 S N 0.000 115.699 115.700 -0.001 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.201 58.200 0.002 0.000 1.107 500 S CB 0.000 63.203 63.200 0.004 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517