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 1gm7_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNMWVIGKSK AQDAKAIMVN GPQFGWYAPA YTYGIGLHGA GYDVTGNTPF DATA SEQUENCE AYPGLVFGHN GVISWGSTAG FGDDVDIFAE RLSAEKPGYY LHNGKWVKML DATA SEQUENCE SREETITVKN GQAETFTVWR TVHGNILQTD QTTQTAYAKS RAWDGKEVAS DATA SEQUENCE LLAWTHQMKA KNWQEWTQQA AKQALTINWY YADVNGNIGY VHTGAYPDRQ DATA SEQUENCE SGHDPRLPVP GTGKWDWKGL LPFEMNPKVY NPQSGYIANW ANSPQKDYPA DATA SEQUENCE SDLFAFLWGG ADRVTEIDRL LEQKPRLTAD QAWDVIRQTS RQDLNLRLFL DATA SEQUENCE PTLQAATSGL TQSDPRRQLV ETLTRWDGIN LLNDDGKTWQ QPGSAILNVW DATA SEQUENCE LTSMLKRTVV AAVPMPFDKW YSASGYETTQ DGPTGSLNIS VGAKILYEAV DATA SEQUENCE QGDKSPIPQA VDLFAGKPQQ EVVLAALEDT WETLSKRYGN NVSNWKTPAM DATA SEQUENCE ALTFRANNFF GVPQAAAEET RHQAEYQNRG TENDMIVFSP TTSDRPVLAW DATA SEQUENCE DVVAPGQSGF IAPDGTVDKH YEDQLKMYEN FGRKSLWLTK QDVEAHKESQ DATA SEQUENCE EVLHVQR 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.741 174.600 0.235 0.000 1.055 1 S CA 0.000 58.318 58.200 0.197 0.000 1.107 1 S CB 0.000 63.271 63.200 0.118 0.000 0.593 2 N N 0.582 119.224 118.700 -0.097 0.000 2.381 2 N HA 0.903 5.669 4.740 0.043 0.000 0.294 2 N C -0.915 174.428 175.510 -0.279 0.000 1.216 2 N CA -0.899 52.010 53.050 -0.235 0.000 0.803 2 N CB 1.067 39.118 38.487 -0.728 0.000 1.372 2 N HN 0.570 nan 8.380 nan 0.000 0.500 3 M N -0.205 119.245 119.600 -0.249 0.000 2.373 3 M HA 0.556 5.062 4.480 0.043 0.000 0.290 3 M C -2.549 173.669 176.300 -0.137 0.000 1.143 3 M CA -0.421 54.605 55.300 -0.457 0.000 0.949 3 M CB 1.441 33.595 32.600 -0.744 0.000 1.756 3 M HN 0.792 nan 8.290 nan 0.000 0.494 4 W N 3.959 125.129 121.300 -0.218 0.000 2.781 4 W HA 0.816 5.499 4.660 0.038 0.000 0.333 4 W C -2.039 174.443 176.519 -0.062 0.000 1.047 4 W CA -1.252 56.017 57.345 -0.126 0.000 1.236 4 W CB 0.660 30.032 29.460 -0.147 0.000 1.394 4 W HN 0.498 nan 8.180 nan 0.000 0.466 5 V N 5.031 125.050 119.914 0.174 0.000 2.378 5 V HA 0.436 4.582 4.120 0.043 0.000 0.288 5 V C -0.132 176.081 176.094 0.198 0.000 1.016 5 V CA -1.016 61.373 62.300 0.149 0.000 0.840 5 V CB 1.167 33.091 31.823 0.169 0.000 0.994 5 V HN 0.625 nan 8.190 nan 0.000 0.431 6 I N 4.291 124.962 120.570 0.168 0.000 2.330 6 I HA 0.592 4.788 4.170 0.043 0.000 0.289 6 I C 1.053 177.231 176.117 0.101 0.000 1.001 6 I CA -0.010 61.381 61.300 0.152 0.000 1.193 6 I CB 1.511 39.591 38.000 0.134 0.000 1.345 6 I HN 0.735 nan 8.210 nan 0.000 0.461 7 G N 4.137 112.983 108.800 0.076 0.000 2.532 7 G HA2 0.188 4.173 3.960 0.043 0.000 0.291 7 G HA3 0.188 4.173 3.960 0.043 0.000 0.291 7 G C 0.689 175.597 174.900 0.014 0.000 1.349 7 G CA -0.464 44.645 45.100 0.016 0.000 1.038 7 G HN 0.683 nan 8.290 nan 0.000 0.518 8 K N -0.780 119.609 120.400 -0.018 0.000 2.074 8 K HA -0.171 4.175 4.320 0.043 0.000 0.209 8 K C 2.529 179.128 176.600 -0.000 0.000 1.048 8 K CA 2.058 58.340 56.287 -0.009 0.000 0.926 8 K CB -0.247 32.235 32.500 -0.029 0.000 0.713 8 K HN 0.450 nan 8.250 nan 0.000 0.444 9 S N -0.533 115.164 115.700 -0.005 0.000 2.561 9 S HA 0.054 4.550 4.470 0.043 0.000 0.225 9 S C 1.341 175.953 174.600 0.019 0.000 0.977 9 S CA 0.377 58.579 58.200 0.003 0.000 0.926 9 S CB 0.246 63.442 63.200 -0.006 0.000 0.769 9 S HN 0.166 nan 8.310 nan 0.000 0.533 10 K N 0.674 121.094 120.400 0.033 0.000 2.402 10 K HA 0.465 4.811 4.320 0.043 0.000 0.203 10 K C 0.361 176.978 176.600 0.028 0.000 1.077 10 K CA 0.326 56.636 56.287 0.040 0.000 1.051 10 K CB 1.023 33.571 32.500 0.080 0.000 0.907 10 K HN 0.422 nan 8.250 nan 0.000 0.554 11 A N 1.531 124.370 122.820 0.033 0.000 2.310 11 A HA 0.404 4.750 4.320 0.043 0.000 0.299 11 A C -0.426 177.172 177.584 0.024 0.000 1.147 11 A CA -0.168 51.891 52.037 0.036 0.000 0.818 11 A CB 0.790 19.821 19.000 0.052 0.000 1.096 11 A HN 0.066 nan 8.150 nan 0.000 0.495 12 Q N 1.183 120.995 119.800 0.020 0.000 2.322 12 Q HA 0.445 4.811 4.340 0.043 0.000 0.265 12 Q C -0.832 175.179 176.000 0.018 0.000 0.985 12 Q CA 0.106 55.916 55.803 0.012 0.000 0.849 12 Q CB 0.858 29.596 28.738 0.000 0.000 1.274 12 Q HN 0.715 nan 8.270 nan 0.000 0.449 13 D N 1.418 121.829 120.400 0.018 0.000 2.945 13 D HA -0.195 4.471 4.640 0.043 0.000 0.225 13 D C -1.011 175.309 176.300 0.033 0.000 1.158 13 D CA 1.411 55.423 54.000 0.021 0.000 0.805 13 D CB -1.405 39.405 40.800 0.016 0.000 1.098 13 D HN 0.661 nan 8.370 nan 0.000 0.426 14 A N -1.192 121.652 122.820 0.041 0.000 2.586 14 A HA 0.541 4.887 4.320 0.043 0.000 0.291 14 A C 0.389 178.010 177.584 0.062 0.000 1.062 14 A CA -0.608 51.464 52.037 0.058 0.000 0.666 14 A CB 1.084 20.128 19.000 0.073 0.000 1.281 14 A HN -0.104 nan 8.150 nan 0.000 0.421 15 K N -0.229 120.220 120.400 0.080 0.000 2.284 15 K HA 0.483 4.828 4.320 0.043 0.000 0.198 15 K C 0.488 177.127 176.600 0.066 0.000 1.048 15 K CA 1.264 57.587 56.287 0.061 0.000 0.987 15 K CB 0.597 33.127 32.500 0.049 0.000 0.800 15 K HN 1.002 nan 8.250 nan 0.000 0.486 16 A N 1.074 123.977 122.820 0.138 0.000 2.589 16 A HA 0.645 4.991 4.320 0.043 0.000 0.296 16 A C -1.608 176.140 177.584 0.273 0.000 1.062 16 A CA -0.741 51.382 52.037 0.144 0.000 0.686 16 A CB 1.186 20.187 19.000 0.001 0.000 1.282 16 A HN 0.091 nan 8.150 nan 0.000 0.404 17 I N 1.629 122.323 120.570 0.208 0.000 2.534 17 I HA 0.508 4.704 4.170 0.043 0.000 0.288 17 I C -0.483 175.725 176.117 0.152 0.000 1.077 17 I CA -0.200 61.211 61.300 0.184 0.000 1.051 17 I CB 2.206 40.289 38.000 0.139 0.000 1.234 17 I HN 0.779 nan 8.210 nan 0.000 0.425 18 M N 7.469 127.143 119.600 0.123 0.000 2.190 18 M HA 0.653 5.159 4.480 0.043 0.000 0.312 18 M C -1.978 174.260 176.300 -0.103 0.000 0.990 18 M CA -0.548 54.769 55.300 0.028 0.000 0.927 18 M CB 1.600 34.261 32.600 0.102 0.000 1.571 18 M HN 0.356 nan 8.290 nan 0.000 0.427 19 V N 5.192 124.886 119.914 -0.367 0.000 2.443 19 V HA 0.440 4.586 4.120 0.043 0.000 0.293 19 V C -0.784 174.790 176.094 -0.866 0.000 1.021 19 V CA -0.702 61.231 62.300 -0.611 0.000 0.848 19 V CB 1.646 32.926 31.823 -0.906 0.000 0.998 19 V HN 0.944 nan 8.190 nan 0.000 0.424 20 N N 2.745 121.120 118.700 -0.543 0.000 2.321 20 N HA 0.711 5.477 4.740 0.043 0.000 0.299 20 N C -0.008 175.219 175.510 -0.472 0.000 1.048 20 N CA -0.397 52.370 53.050 -0.471 0.000 0.836 20 N CB 1.956 40.334 38.487 -0.181 0.000 1.269 20 N HN 0.862 nan 8.380 nan 0.000 0.486 21 G N 3.101 111.631 108.800 -0.450 0.000 4.465 21 G HA2 0.260 4.246 3.960 0.043 0.000 0.330 21 G HA3 0.260 4.246 3.960 0.043 0.000 0.330 21 G C -2.809 171.934 174.900 -0.262 0.000 1.475 21 G CA -0.856 44.035 45.100 -0.348 0.000 0.955 21 G HN 0.408 nan 8.290 nan 0.000 0.516 22 P HA 0.103 nan 4.420 nan 0.000 0.271 22 P C -0.596 176.446 177.300 -0.430 0.000 1.226 22 P CA 0.291 63.199 63.100 -0.320 0.000 0.765 22 P CB 1.444 32.999 31.700 -0.242 0.000 0.835 23 Q N 2.675 122.184 119.800 -0.484 0.000 2.394 23 Q HA 0.324 4.690 4.340 0.043 0.000 0.259 23 Q C -0.465 175.181 176.000 -0.589 0.000 1.021 23 Q CA -0.309 55.237 55.803 -0.428 0.000 0.805 23 Q CB 0.795 29.459 28.738 -0.123 0.000 1.226 23 Q HN 0.467 nan 8.270 nan 0.000 0.476 24 F N 0.501 120.177 119.950 -0.458 0.000 2.706 24 F HA 0.345 4.893 4.527 0.035 0.000 0.313 24 F C 1.164 176.705 175.800 -0.431 0.000 1.096 24 F CA 0.170 57.853 58.000 -0.528 0.000 1.219 24 F CB 1.120 39.468 39.000 -1.086 0.000 1.051 24 F HN 0.739 nan 8.300 nan 0.000 0.568 25 G N -0.188 108.283 108.800 -0.549 0.000 2.685 25 G HA2 -0.188 3.798 3.960 0.043 0.000 0.387 25 G HA3 -0.188 3.798 3.960 0.043 0.000 0.387 25 G C -1.160 173.089 174.900 -1.085 0.000 1.324 25 G CA -1.057 43.625 45.100 -0.697 0.000 0.878 25 G HN 0.106 nan 8.290 nan 0.000 0.527 26 W N -0.361 120.446 121.300 -0.821 0.000 2.683 26 W HA 0.653 5.303 4.660 -0.016 0.000 0.329 26 W C -1.006 174.909 176.519 -1.007 0.000 1.037 26 W CA -0.688 56.183 57.345 -0.789 0.000 1.232 26 W CB 1.955 30.865 29.460 -0.917 0.000 1.390 26 W HN 0.558 nan 8.180 nan 0.000 0.465 27 Y N 0.599 121.078 120.300 0.299 0.000 2.581 27 Y HA 0.640 5.235 4.550 0.074 0.000 0.345 27 Y C -0.130 175.933 175.900 0.273 0.000 1.036 27 Y CA -1.386 56.875 58.100 0.269 0.000 1.042 27 Y CB 1.876 40.466 38.460 0.217 0.000 1.289 27 Y HN 0.376 nan 8.280 nan 0.000 0.471 28 A N 3.300 126.306 122.820 0.310 0.000 2.335 28 A HA 0.735 5.081 4.320 0.043 0.000 0.304 28 A C -2.898 174.745 177.584 0.099 0.000 1.118 28 A CA -1.932 50.175 52.037 0.117 0.000 0.757 28 A CB 0.860 19.886 19.000 0.044 0.000 1.188 28 A HN 0.374 nan 8.150 nan 0.000 0.460 29 P HA 0.312 nan 4.420 nan 0.000 0.274 29 P C 0.324 177.644 177.300 0.034 0.000 1.260 29 P CA -0.029 63.055 63.100 -0.026 0.000 0.793 29 P CB 0.592 32.281 31.700 -0.019 0.000 1.048 30 A N 0.517 123.336 122.820 -0.002 0.000 2.561 30 A HA -0.123 4.223 4.320 0.043 0.000 0.234 30 A C 1.115 178.710 177.584 0.017 0.000 1.055 30 A CA 0.116 52.183 52.037 0.049 0.000 0.756 30 A CB -0.933 18.065 19.000 -0.003 0.000 0.986 30 A HN 0.679 nan 8.150 nan 0.000 0.505 31 Y N 2.417 122.696 120.300 -0.036 0.000 2.181 31 Y HA -0.071 4.510 4.550 0.052 0.000 0.288 31 Y C 1.770 177.447 175.900 -0.371 0.000 1.146 31 Y CA 2.179 60.130 58.100 -0.249 0.000 1.164 31 Y CB -0.123 38.270 38.460 -0.112 0.000 0.982 31 Y HN 0.784 nan 8.280 nan 0.000 0.515 32 T N -2.415 112.067 114.554 -0.120 0.000 2.948 32 T HA 0.337 4.713 4.350 0.043 0.000 0.285 32 T C -1.511 173.171 174.700 -0.031 0.000 1.019 32 T CA -0.595 61.437 62.100 -0.113 0.000 1.013 32 T CB 1.769 70.690 68.868 0.088 0.000 1.117 32 T HN 0.142 nan 8.240 nan 0.000 0.533 33 Y N 0.141 120.357 120.300 -0.139 0.000 2.338 33 Y HA 0.569 5.144 4.550 0.041 0.000 0.333 33 Y C 0.232 176.100 175.900 -0.054 0.000 0.968 33 Y CA -0.726 57.310 58.100 -0.105 0.000 1.123 33 Y CB 1.333 39.706 38.460 -0.144 0.000 1.165 33 Y HN 1.131 nan 8.280 nan 0.000 0.452 34 G N 5.366 113.868 108.800 -0.496 0.000 2.403 34 G HA2 0.461 4.446 3.960 0.043 0.000 0.259 34 G HA3 0.461 4.446 3.960 0.043 0.000 0.259 34 G C -1.514 173.176 174.900 -0.349 0.000 1.244 34 G CA -0.088 44.817 45.100 -0.326 0.000 0.849 34 G HN 0.646 nan 8.290 nan 0.000 0.532 35 I N 0.854 121.358 120.570 -0.110 0.000 2.753 35 I HA 0.628 4.823 4.170 0.043 0.000 0.291 35 I C -0.205 175.897 176.117 -0.024 0.000 1.425 35 I CA -0.457 60.832 61.300 -0.019 0.000 1.039 35 I CB 1.972 40.050 38.000 0.129 0.000 1.349 35 I HN 0.744 nan 8.210 nan 0.000 0.430 36 G N 7.099 115.883 108.800 -0.026 0.000 2.461 36 G HA2 0.712 4.698 3.960 0.043 0.000 0.323 36 G HA3 0.712 4.698 3.960 0.043 0.000 0.323 36 G C -1.731 172.983 174.900 -0.309 0.000 1.229 36 G CA -0.602 44.431 45.100 -0.113 0.000 0.941 36 G HN 0.603 nan 8.290 nan 0.000 0.477 37 L N 2.904 123.781 121.223 -0.577 0.000 2.381 37 L HA 0.511 4.877 4.340 0.043 0.000 0.274 37 L C -0.942 175.579 176.870 -0.582 0.000 0.988 37 L CA -0.969 53.612 54.840 -0.432 0.000 0.824 37 L CB 2.282 44.185 42.059 -0.259 0.000 1.263 37 L HN 0.497 nan 8.230 nan 0.000 0.410 38 H N 2.705 121.826 119.070 0.085 0.000 3.078 38 H HA 0.677 5.259 4.556 0.043 0.000 0.319 38 H C 0.008 175.399 175.328 0.105 0.000 0.995 38 H CA -0.546 55.564 56.048 0.103 0.000 1.417 38 H CB 2.131 31.935 29.762 0.069 0.000 1.598 38 H HN 0.832 nan 8.280 nan 0.000 0.515 39 G N 0.596 109.530 108.800 0.223 0.000 2.340 39 G HA2 0.352 4.338 3.960 0.043 0.000 0.527 39 G HA3 0.352 4.338 3.960 0.043 0.000 0.527 39 G C -0.069 174.955 174.900 0.207 0.000 1.381 39 G CA -0.316 44.887 45.100 0.172 0.000 1.001 39 G HN 1.143 nan 8.290 nan 0.000 0.626 40 A N -1.276 121.633 122.820 0.149 0.000 2.799 40 A HA 0.373 4.719 4.320 0.043 0.000 0.287 40 A C 2.454 180.094 177.584 0.093 0.000 1.484 40 A CA 2.192 54.318 52.037 0.149 0.000 0.813 40 A CB -1.547 17.572 19.000 0.199 0.000 1.009 40 A HN 3.289 nan 8.150 nan 0.000 0.545 41 G N -4.153 104.660 108.800 0.022 0.000 2.195 41 G HA2 -0.250 3.736 3.960 0.043 0.000 0.246 41 G HA3 -0.250 3.736 3.960 0.043 0.000 0.246 41 G C -0.011 174.760 174.900 -0.215 0.000 0.984 41 G CA 0.652 45.678 45.100 -0.124 0.000 0.633 41 G HN 1.459 nan 8.290 nan 0.000 0.525 42 Y N 0.377 120.720 120.300 0.071 0.000 2.387 42 Y HA 0.638 5.214 4.550 0.044 0.000 0.330 42 Y C 0.112 176.062 175.900 0.084 0.000 1.133 42 Y CA -0.730 57.410 58.100 0.068 0.000 1.152 42 Y CB 1.934 40.411 38.460 0.028 0.000 1.215 42 Y HN 0.045 nan 8.280 nan 0.000 0.466 43 D N 1.781 122.335 120.400 0.256 0.000 2.411 43 D HA 0.387 5.053 4.640 0.043 0.000 0.239 43 D C -1.752 174.657 176.300 0.182 0.000 1.307 43 D CA -0.174 53.971 54.000 0.242 0.000 0.930 43 D CB 0.517 41.463 40.800 0.244 0.000 1.395 43 D HN 0.371 nan 8.370 nan 0.000 0.536 44 V N -0.278 119.660 119.914 0.040 0.000 3.078 44 V HA 0.961 5.107 4.120 0.043 0.000 0.311 44 V C -0.618 175.411 176.094 -0.109 0.000 1.138 44 V CA -0.517 61.805 62.300 0.035 0.000 1.007 44 V CB 2.031 33.987 31.823 0.223 0.000 1.045 44 V HN 0.278 nan 8.190 nan 0.000 0.432 45 T N 0.939 115.383 114.554 -0.184 0.000 2.956 45 T HA 0.905 5.281 4.350 0.043 0.000 0.312 45 T C -0.160 174.436 174.700 -0.173 0.000 1.151 45 T CA 0.613 62.607 62.100 -0.177 0.000 1.024 45 T CB 1.180 69.932 68.868 -0.193 0.000 1.140 45 T HN 2.296 nan 8.240 nan 0.000 0.473 46 G N 3.208 111.962 108.800 -0.076 0.000 2.455 46 G HA2 0.397 4.383 3.960 0.043 0.000 0.223 46 G HA3 0.397 4.383 3.960 0.043 0.000 0.223 46 G C -1.836 173.085 174.900 0.036 0.000 1.226 46 G CA -0.081 45.010 45.100 -0.015 0.000 0.948 46 G HN 1.223 nan 8.290 nan 0.000 0.478 47 N N -1.778 117.005 118.700 0.137 0.000 2.610 47 N HA 0.740 5.506 4.740 0.043 0.000 0.264 47 N C -1.094 174.567 175.510 0.251 0.000 1.348 47 N CA -0.087 53.049 53.050 0.142 0.000 0.819 47 N CB 2.468 41.017 38.487 0.103 0.000 1.521 47 N HN 0.766 nan 8.380 nan 0.000 0.497 48 T N -0.288 114.356 114.554 0.150 0.000 2.942 48 T HA 0.523 4.899 4.350 0.043 0.000 0.327 48 T C -3.107 171.480 174.700 -0.188 0.000 1.360 48 T CA -1.288 60.825 62.100 0.022 0.000 1.055 48 T CB 1.371 70.208 68.868 -0.052 0.000 1.261 48 T HN 0.432 nan 8.240 nan 0.000 0.485 49 P HA 0.315 nan 4.420 nan 0.000 0.268 49 P C -0.069 176.592 177.300 -1.064 0.000 1.204 49 P CA 0.250 62.872 63.100 -0.797 0.000 0.768 49 P CB -0.258 31.035 31.700 -0.679 0.000 0.842 50 F N 1.294 120.716 119.950 -0.881 0.000 3.100 50 F HA -0.281 4.271 4.527 0.042 0.000 0.283 50 F C 1.263 176.735 175.800 -0.547 0.000 0.900 50 F CA 0.860 58.473 58.000 -0.645 0.000 1.010 50 F CB -2.505 36.171 39.000 -0.540 0.000 1.029 50 F HN 0.549 nan 8.300 nan 0.000 0.637 51 A N -2.390 120.212 122.820 -0.364 0.000 2.704 51 A HA -0.253 4.093 4.320 0.043 0.000 0.299 51 A C 0.533 178.012 177.584 -0.174 0.000 1.507 51 A CA 0.946 52.809 52.037 -0.291 0.000 0.776 51 A CB -2.311 16.335 19.000 -0.590 0.000 1.027 51 A HN 0.537 nan 8.150 nan 0.000 0.475 52 Y N -1.601 118.632 120.300 -0.111 0.000 2.607 52 Y HA 0.220 4.796 4.550 0.043 0.000 0.348 52 Y C -0.369 175.448 175.900 -0.139 0.000 1.261 52 Y CA -0.770 57.246 58.100 -0.140 0.000 1.480 52 Y CB -0.489 37.847 38.460 -0.207 0.000 1.358 52 Y HN 0.165 nan 8.280 nan 0.000 0.630 53 P HA -0.092 nan 4.420 nan 0.000 0.216 53 P C 0.291 177.546 177.300 -0.075 0.000 1.150 53 P CA 1.775 64.839 63.100 -0.059 0.000 0.843 53 P CB 0.189 31.839 31.700 -0.084 0.000 0.787 54 G N -0.261 108.516 108.800 -0.037 0.000 2.322 54 G HA2 0.443 4.429 3.960 0.043 0.000 0.309 54 G HA3 0.443 4.429 3.960 0.043 0.000 0.309 54 G C -0.942 173.940 174.900 -0.030 0.000 1.121 54 G CA -0.311 44.770 45.100 -0.032 0.000 0.886 54 G HN -0.064 nan 8.290 nan 0.000 0.447 55 L N 2.893 124.144 121.223 0.047 0.000 2.369 55 L HA 0.121 4.487 4.340 0.043 0.000 0.279 55 L C 1.501 178.468 176.870 0.162 0.000 1.108 55 L CA 0.125 55.043 54.840 0.130 0.000 0.852 55 L CB 1.555 43.791 42.059 0.295 0.000 1.169 55 L HN 0.353 nan 8.230 nan 0.000 0.452 56 V N 3.333 123.138 119.914 -0.181 0.000 2.719 56 V HA -0.054 4.092 4.120 0.043 0.000 0.252 56 V C 0.104 175.990 176.094 -0.347 0.000 1.065 56 V CA 1.039 63.094 62.300 -0.408 0.000 1.086 56 V CB -0.620 30.632 31.823 -0.951 0.000 0.700 56 V HN 0.467 nan 8.190 nan 0.000 0.467 57 F N -0.015 120.155 119.950 0.367 0.000 2.496 57 F HA 0.798 5.352 4.527 0.045 0.000 0.341 57 F C 0.480 176.280 175.800 0.000 0.000 1.134 57 F CA -0.569 57.539 58.000 0.180 0.000 0.968 57 F CB 1.417 40.501 39.000 0.140 0.000 1.205 57 F HN 0.027 nan 8.300 nan 0.000 0.436 58 G N 1.698 110.308 108.800 -0.316 0.000 2.321 58 G HA2 0.510 4.496 3.960 0.043 0.000 0.296 58 G HA3 0.510 4.496 3.960 0.043 0.000 0.296 58 G C -2.202 171.961 174.900 -1.229 0.000 1.287 58 G CA -0.717 44.072 45.100 -0.518 0.000 0.846 58 G HN 0.939 nan 8.290 nan 0.000 0.508 59 H N -2.097 116.403 119.070 -0.949 0.000 2.990 59 H HA 0.708 5.289 4.556 0.043 0.000 0.336 59 H C -0.130 175.054 175.328 -0.239 0.000 1.306 59 H CA -0.381 55.147 56.048 -0.866 0.000 1.118 59 H CB 1.461 30.951 29.762 -0.453 0.000 1.856 59 H HN 0.577 nan 8.280 nan 0.000 0.538 60 N N -0.255 118.533 118.700 0.146 0.000 2.241 60 N HA 0.232 4.998 4.740 0.043 0.000 0.238 60 N C 1.068 176.754 175.510 0.292 0.000 1.244 60 N CA 0.024 53.230 53.050 0.260 0.000 0.880 60 N CB 0.940 39.691 38.487 0.441 0.000 1.179 60 N HN 1.282 nan 8.380 nan 0.000 0.513 61 G N -0.861 108.229 108.800 0.483 0.000 2.225 61 G HA2 -0.311 3.675 3.960 0.043 0.000 0.254 61 G HA3 -0.311 3.675 3.960 0.043 0.000 0.254 61 G C 0.514 175.552 174.900 0.231 0.000 0.988 61 G CA 0.585 45.871 45.100 0.311 0.000 0.625 61 G HN 0.307 nan 8.290 nan 0.000 0.527 62 V N 0.444 120.516 119.914 0.264 0.000 3.058 62 V HA 0.473 4.619 4.120 0.043 0.000 0.233 62 V C 1.093 177.314 176.094 0.212 0.000 1.255 62 V CA 1.448 63.881 62.300 0.222 0.000 1.267 62 V CB 0.274 32.214 31.823 0.194 0.000 1.049 62 V HN 0.813 nan 8.190 nan 0.000 0.486 63 I N -0.832 119.870 120.570 0.220 0.000 3.002 63 I HA 0.890 5.086 4.170 0.043 0.000 0.310 63 I C -0.517 175.712 176.117 0.187 0.000 1.087 63 I CA -0.477 60.836 61.300 0.022 0.000 1.017 63 I CB 2.461 40.387 38.000 -0.123 0.000 1.226 63 I HN 0.160 nan 8.210 nan 0.000 0.443 64 S N 1.720 117.458 115.700 0.063 0.000 2.599 64 S HA 0.862 5.358 4.470 0.043 0.000 0.287 64 S C -1.404 173.193 174.600 -0.006 0.000 1.105 64 S CA -0.601 57.566 58.200 -0.054 0.000 0.899 64 S CB 1.456 64.721 63.200 0.108 0.000 1.100 64 S HN 1.013 nan 8.310 nan 0.000 0.482 65 W N -0.505 120.876 121.300 0.136 0.000 3.075 65 W HA 0.914 5.600 4.660 0.042 0.000 0.334 65 W C -0.344 176.336 176.519 0.268 0.000 1.243 65 W CA -0.695 56.756 57.345 0.178 0.000 1.170 65 W CB 0.801 30.395 29.460 0.223 0.000 1.452 65 W HN 1.097 nan 8.180 nan 0.000 0.572 66 G N -0.027 109.143 108.800 0.616 0.000 2.550 66 G HA2 0.625 4.611 3.960 0.043 0.000 0.293 66 G HA3 0.625 4.611 3.960 0.043 0.000 0.293 66 G C -1.806 173.553 174.900 0.764 0.000 1.402 66 G CA -0.960 44.518 45.100 0.631 0.000 0.784 66 G HN 0.657 nan 8.290 nan 0.000 0.482 67 S N -1.286 114.901 115.700 0.811 0.000 2.579 67 S HA 0.889 5.385 4.470 0.043 0.000 0.272 67 S C -0.552 174.522 174.600 0.790 0.000 1.141 67 S CA -0.200 58.524 58.200 0.875 0.000 0.843 67 S CB 2.040 65.735 63.200 0.824 0.000 1.122 67 S HN 1.453 nan 8.310 nan 0.000 0.468 68 T N -1.149 113.877 114.554 0.787 0.000 2.903 68 T HA 0.823 5.199 4.350 0.043 0.000 0.299 68 T C -0.264 174.745 174.700 0.515 0.000 1.093 68 T CA -0.770 61.669 62.100 0.566 0.000 1.002 68 T CB 1.399 70.591 68.868 0.539 0.000 1.127 68 T HN 0.854 nan 8.240 nan 0.000 0.488 69 A N 0.936 123.989 122.820 0.390 0.000 2.531 69 A HA 0.541 4.886 4.320 0.043 0.000 0.236 69 A C 1.521 179.363 177.584 0.430 0.000 1.062 69 A CA 0.180 52.388 52.037 0.285 0.000 0.760 69 A CB -0.486 18.554 19.000 0.066 0.000 0.995 69 A HN 1.328 nan 8.150 nan 0.000 0.501 70 G N 0.121 109.108 108.800 0.311 0.000 2.426 70 G HA2 0.212 4.198 3.960 0.043 0.000 0.214 70 G HA3 0.212 4.198 3.960 0.043 0.000 0.214 70 G C 0.427 175.797 174.900 0.784 0.000 1.156 70 G CA 0.564 45.981 45.100 0.528 0.000 0.802 70 G HN 0.902 nan 8.290 nan 0.000 0.534 71 F N -0.009 120.159 119.950 0.364 0.000 3.093 71 F HA -0.170 4.379 4.527 0.038 0.000 0.287 71 F C 1.503 177.430 175.800 0.212 0.000 0.882 71 F CA -0.071 57.994 58.000 0.109 0.000 1.063 71 F CB -1.545 37.369 39.000 -0.143 0.000 1.097 71 F HN 0.326 nan 8.300 nan 0.000 0.604 72 G N -0.056 109.117 108.800 0.622 0.000 2.537 72 G HA2 0.371 4.357 3.960 0.043 0.000 0.273 72 G HA3 0.371 4.357 3.960 0.043 0.000 0.273 72 G C -0.668 174.438 174.900 0.343 0.000 1.189 72 G CA -0.252 45.211 45.100 0.606 0.000 0.881 72 G HN 0.165 nan 8.290 nan 0.000 0.535 73 D N 0.179 120.707 120.400 0.213 0.000 2.468 73 D HA 0.150 4.815 4.640 0.043 0.000 0.218 73 D C 0.134 176.583 176.300 0.248 0.000 1.155 73 D CA -0.613 53.473 54.000 0.143 0.000 0.924 73 D CB 0.803 41.611 40.800 0.013 0.000 1.029 73 D HN 0.328 nan 8.370 nan 0.000 0.515 74 D N 1.991 122.546 120.400 0.258 0.000 2.462 74 D HA 0.065 4.731 4.640 0.043 0.000 0.221 74 D C -0.325 176.081 176.300 0.176 0.000 1.173 74 D CA -0.307 53.798 54.000 0.176 0.000 0.831 74 D CB 0.142 40.999 40.800 0.095 0.000 1.001 74 D HN 0.038 nan 8.370 nan 0.000 0.499 75 V N 0.837 120.878 119.914 0.211 0.000 2.569 75 V HA 0.380 4.526 4.120 0.043 0.000 0.301 75 V C -1.054 175.197 176.094 0.263 0.000 1.044 75 V CA -0.776 61.665 62.300 0.234 0.000 0.874 75 V CB 2.111 34.029 31.823 0.158 0.000 1.002 75 V HN -0.019 nan 8.190 nan 0.000 0.424 76 D N 3.837 124.449 120.400 0.354 0.000 2.527 76 D HA 0.586 5.252 4.640 0.043 0.000 0.233 76 D C -0.828 175.518 176.300 0.076 0.000 1.063 76 D CA -0.418 53.719 54.000 0.230 0.000 0.880 76 D CB 2.683 43.694 40.800 0.353 0.000 1.457 76 D HN 0.173 nan 8.370 nan 0.000 0.475 77 I N 1.389 121.930 120.570 -0.047 0.000 2.354 77 I HA 0.324 4.520 4.170 0.043 0.000 0.292 77 I C -0.407 175.584 176.117 -0.209 0.000 0.989 77 I CA -0.548 60.739 61.300 -0.021 0.000 1.188 77 I CB 0.393 38.409 38.000 0.027 0.000 1.342 77 I HN 0.172 nan 8.210 nan 0.000 0.457 78 F N 4.138 123.996 119.950 -0.152 0.000 2.415 78 F HA 0.540 5.093 4.527 0.043 0.000 0.348 78 F C 0.763 176.444 175.800 -0.198 0.000 1.119 78 F CA -0.647 57.177 58.000 -0.294 0.000 1.069 78 F CB 1.556 40.120 39.000 -0.727 0.000 1.124 78 F HN 0.517 nan 8.300 nan 0.000 0.472 79 A N 4.071 126.847 122.820 -0.073 0.000 2.343 79 A HA 0.385 4.731 4.320 0.043 0.000 0.305 79 A C -0.066 177.416 177.584 -0.171 0.000 1.308 79 A CA -0.659 51.230 52.037 -0.246 0.000 0.949 79 A CB -0.243 18.639 19.000 -0.198 0.000 1.148 79 A HN 0.590 nan 8.150 nan 0.000 0.545 80 E N 1.446 121.530 120.200 -0.194 0.000 2.331 80 E HA 0.156 4.532 4.350 0.043 0.000 0.272 80 E C -0.022 176.563 176.600 -0.025 0.000 1.036 80 E CA -0.337 56.027 56.400 -0.059 0.000 0.864 80 E CB 1.319 30.955 29.700 -0.107 0.000 1.035 80 E HN 0.637 nan 8.360 nan 0.000 0.408 81 R N 3.453 123.999 120.500 0.076 0.000 2.216 81 R HA 0.299 4.665 4.340 0.043 0.000 0.332 81 R C -0.318 176.139 176.300 0.262 0.000 1.056 81 R CA -0.190 55.974 56.100 0.107 0.000 0.901 81 R CB 0.141 30.482 30.300 0.068 0.000 1.039 81 R HN 0.402 nan 8.270 nan 0.000 0.456 82 L N 1.682 123.046 121.223 0.235 0.000 2.397 82 L HA 0.584 4.950 4.340 0.043 0.000 0.266 82 L C 0.010 177.051 176.870 0.285 0.000 1.040 82 L CA -1.054 53.965 54.840 0.299 0.000 0.800 82 L CB 1.764 43.887 42.059 0.106 0.000 1.324 82 L HN 0.580 nan 8.230 nan 0.000 0.469 83 S N -1.284 114.467 115.700 0.084 0.000 2.572 83 S HA 0.546 5.042 4.470 0.043 0.000 0.274 83 S C 0.291 174.811 174.600 -0.133 0.000 1.150 83 S CA -0.050 58.076 58.200 -0.124 0.000 0.944 83 S CB 1.827 64.694 63.200 -0.554 0.000 1.071 83 S HN 0.677 nan 8.310 nan 0.000 0.479 84 A N 3.420 126.182 122.820 -0.098 0.000 2.067 84 A HA 0.026 4.372 4.320 0.043 0.000 0.219 84 A C 1.599 179.112 177.584 -0.118 0.000 1.158 84 A CA 1.345 53.333 52.037 -0.083 0.000 0.661 84 A CB -0.486 18.481 19.000 -0.055 0.000 0.801 84 A HN 0.912 nan 8.150 nan 0.000 0.452 85 E N -0.360 119.731 120.200 -0.182 0.000 2.274 85 E HA -0.061 4.315 4.350 0.043 0.000 0.194 85 E C -0.035 176.417 176.600 -0.246 0.000 0.996 85 E CA 0.721 56.996 56.400 -0.208 0.000 0.840 85 E CB 0.004 29.552 29.700 -0.253 0.000 0.772 85 E HN 0.479 nan 8.360 nan 0.000 0.491 86 K N 1.347 121.573 120.400 -0.291 0.000 2.827 86 K HA 0.236 4.582 4.320 0.043 0.000 0.186 86 K C -2.742 173.844 176.600 -0.024 0.000 1.093 86 K CA -1.663 54.463 56.287 -0.268 0.000 0.993 86 K CB 1.623 33.777 32.500 -0.576 0.000 1.199 86 K HN -0.098 nan 8.250 nan 0.000 0.598 87 P HA -0.025 nan 4.420 nan 0.000 0.265 87 P C 0.838 178.229 177.300 0.152 0.000 1.193 87 P CA 0.885 64.009 63.100 0.041 0.000 0.765 87 P CB 0.822 32.531 31.700 0.015 0.000 0.823 88 G N 0.836 109.646 108.800 0.017 0.000 2.157 88 G HA2 -0.232 3.754 3.960 0.043 0.000 0.248 88 G HA3 -0.232 3.754 3.960 0.043 0.000 0.248 88 G C -0.420 174.508 174.900 0.046 0.000 0.979 88 G CA -0.192 44.909 45.100 0.002 0.000 0.650 88 G HN 0.464 nan 8.290 nan 0.000 0.529 89 Y N -0.547 119.839 120.300 0.143 0.000 2.598 89 Y HA 0.729 5.305 4.550 0.043 0.000 0.340 89 Y C 0.199 176.364 175.900 0.442 0.000 1.038 89 Y CA -1.158 57.100 58.100 0.265 0.000 1.100 89 Y CB 1.621 40.212 38.460 0.219 0.000 1.281 89 Y HN 0.442 nan 8.280 nan 0.000 0.488 90 Y N -0.422 120.154 120.300 0.459 0.000 2.588 90 Y HA 0.679 5.256 4.550 0.044 0.000 0.343 90 Y C -1.910 174.040 175.900 0.083 0.000 1.065 90 Y CA -1.960 56.334 58.100 0.323 0.000 1.038 90 Y CB 0.758 39.293 38.460 0.125 0.000 1.297 90 Y HN 0.473 nan 8.280 nan 0.000 0.467 91 L N 4.296 125.346 121.223 -0.288 0.000 2.278 91 L HA 0.432 4.798 4.340 0.043 0.000 0.287 91 L C -0.951 175.785 176.870 -0.223 0.000 1.072 91 L CA 0.261 54.651 54.840 -0.750 0.000 0.819 91 L CB -0.088 41.309 42.059 -1.104 0.000 1.176 91 L HN 0.884 nan 8.230 nan 0.000 0.435 92 H N 5.432 124.279 119.070 -0.371 0.000 2.934 92 H HA 0.236 4.818 4.556 0.043 0.000 0.340 92 H C -0.249 174.971 175.328 -0.181 0.000 1.008 92 H CA -0.379 55.563 56.048 -0.177 0.000 1.317 92 H CB 0.862 30.546 29.762 -0.129 0.000 1.670 92 H HN 0.845 nan 8.280 nan 0.000 0.516 93 N N 3.131 121.503 118.700 -0.548 0.000 2.727 93 N HA -0.246 4.520 4.740 0.043 0.000 0.249 93 N C 0.898 176.257 175.510 -0.252 0.000 1.048 93 N CA 0.753 53.557 53.050 -0.409 0.000 0.714 93 N CB -0.776 37.436 38.487 -0.459 0.000 0.959 93 N HN 1.029 nan 8.380 nan 0.000 0.544 94 G N -1.062 107.591 108.800 -0.245 0.000 2.179 94 G HA2 -0.351 3.635 3.960 0.043 0.000 0.260 94 G HA3 -0.351 3.635 3.960 0.043 0.000 0.260 94 G C -0.018 174.752 174.900 -0.218 0.000 0.977 94 G CA 0.954 45.931 45.100 -0.205 0.000 0.641 94 G HN 0.469 nan 8.290 nan 0.000 0.533 95 K N -1.221 119.023 120.400 -0.259 0.000 2.375 95 K HA 0.515 4.861 4.320 0.043 0.000 0.249 95 K C -0.951 175.458 176.600 -0.317 0.000 0.942 95 K CA -1.011 55.156 56.287 -0.200 0.000 0.806 95 K CB 1.400 33.845 32.500 -0.093 0.000 1.227 95 K HN 0.122 nan 8.250 nan 0.000 0.430 96 W N 2.281 123.557 121.300 -0.040 0.000 2.387 96 W HA 0.291 4.976 4.660 0.043 0.000 0.310 96 W C -0.424 176.128 176.519 0.055 0.000 1.181 96 W CA -0.540 56.796 57.345 -0.015 0.000 1.333 96 W CB 0.800 30.229 29.460 -0.051 0.000 1.286 96 W HN 0.049 nan 8.180 nan 0.000 0.455 97 V N 4.499 124.435 119.914 0.037 0.000 2.483 97 V HA 0.251 4.397 4.120 0.043 0.000 0.295 97 V C 0.253 176.240 176.094 -0.179 0.000 1.035 97 V CA -1.658 60.546 62.300 -0.159 0.000 0.896 97 V CB 1.461 32.926 31.823 -0.596 0.000 0.986 97 V HN 0.327 nan 8.190 nan 0.000 0.447 98 K N 4.282 124.555 120.400 -0.211 0.000 2.322 98 K HA 0.393 4.739 4.320 0.043 0.000 0.283 98 K C -0.060 176.502 176.600 -0.064 0.000 1.042 98 K CA -0.303 55.688 56.287 -0.494 0.000 0.958 98 K CB 0.496 32.740 32.500 -0.427 0.000 0.984 98 K HN 0.616 nan 8.250 nan 0.000 0.473 99 M N 3.804 123.439 119.600 0.058 0.000 2.240 99 M HA 0.063 4.569 4.480 0.043 0.000 0.333 99 M C -0.039 176.341 176.300 0.135 0.000 1.110 99 M CA -0.558 54.887 55.300 0.242 0.000 1.173 99 M CB 0.459 33.269 32.600 0.350 0.000 1.458 99 M HN 0.458 nan 8.290 nan 0.000 0.458 100 L N 2.413 123.691 121.223 0.092 0.000 2.371 100 L HA 0.471 4.837 4.340 0.043 0.000 0.272 100 L C -0.166 176.678 176.870 -0.044 0.000 1.124 100 L CA 0.461 55.303 54.840 0.002 0.000 0.816 100 L CB 1.121 43.165 42.059 -0.025 0.000 1.129 100 L HN 0.841 nan 8.230 nan 0.000 0.448 101 S N 4.452 120.034 115.700 -0.197 0.000 2.579 101 S HA 0.911 5.407 4.470 0.043 0.000 0.272 101 S C -0.962 173.411 174.600 -0.380 0.000 1.141 101 S CA -1.033 56.889 58.200 -0.463 0.000 0.843 101 S CB 2.074 64.672 63.200 -1.004 0.000 1.122 101 S HN 0.888 nan 8.310 nan 0.000 0.468 102 R N 0.567 120.806 120.500 -0.434 0.000 2.698 102 R HA 0.609 4.975 4.340 0.043 0.000 0.275 102 R C -1.493 174.564 176.300 -0.405 0.000 1.001 102 R CA -0.787 55.112 56.100 -0.336 0.000 0.896 102 R CB 1.496 31.650 30.300 -0.243 0.000 1.218 102 R HN 0.692 nan 8.270 nan 0.000 0.462 103 E N 1.521 121.520 120.200 -0.334 0.000 2.231 103 E HA 0.219 4.595 4.350 0.043 0.000 0.277 103 E C -0.783 175.602 176.600 -0.359 0.000 0.999 103 E CA -0.771 55.418 56.400 -0.351 0.000 0.827 103 E CB 1.619 31.179 29.700 -0.234 0.000 1.101 103 E HN 0.380 nan 8.360 nan 0.000 0.393 104 E N 1.406 121.300 120.200 -0.511 0.000 2.272 104 E HA 0.333 4.709 4.350 0.043 0.000 0.269 104 E C -1.140 175.325 176.600 -0.225 0.000 0.877 104 E CA -0.584 55.568 56.400 -0.413 0.000 0.755 104 E CB 2.350 31.687 29.700 -0.605 0.000 1.192 104 E HN 0.285 nan 8.360 nan 0.000 0.422 105 T N 2.934 117.451 114.554 -0.062 0.000 2.792 105 T HA 0.415 4.791 4.350 0.043 0.000 0.280 105 T C 0.182 174.928 174.700 0.077 0.000 0.990 105 T CA -0.622 61.498 62.100 0.032 0.000 0.960 105 T CB 0.556 69.426 68.868 0.003 0.000 0.939 105 T HN 0.189 nan 8.240 nan 0.000 0.439 106 I N 3.958 124.609 120.570 0.134 0.000 2.301 106 I HA 0.205 4.401 4.170 0.043 0.000 0.292 106 I C 1.024 177.172 176.117 0.052 0.000 1.046 106 I CA -0.336 61.023 61.300 0.098 0.000 1.282 106 I CB 0.088 38.148 38.000 0.100 0.000 1.409 106 I HN 0.534 nan 8.210 nan 0.000 0.484 107 T N 6.164 120.736 114.554 0.030 0.000 2.897 107 T HA 0.448 4.824 4.350 0.043 0.000 0.294 107 T C 0.217 174.925 174.700 0.013 0.000 1.004 107 T CA -0.241 61.869 62.100 0.018 0.000 1.106 107 T CB 1.471 70.344 68.868 0.009 0.000 0.949 107 T HN 0.306 nan 8.240 nan 0.000 0.520 108 V N 3.689 123.609 119.914 0.011 0.000 2.443 108 V HA 0.347 4.493 4.120 0.043 0.000 0.293 108 V C 0.048 176.145 176.094 0.005 0.000 1.021 108 V CA -1.176 61.128 62.300 0.008 0.000 0.848 108 V CB 1.671 33.500 31.823 0.010 0.000 0.998 108 V HN 0.721 nan 8.190 nan 0.000 0.424 109 K N 4.099 124.501 120.400 0.003 0.000 2.484 109 K HA 0.086 4.432 4.320 0.043 0.000 0.280 109 K C 0.764 177.367 176.600 0.005 0.000 1.013 109 K CA 1.062 57.351 56.287 0.003 0.000 1.029 109 K CB -0.545 31.956 32.500 0.002 0.000 0.902 109 K HN 0.751 nan 8.250 nan 0.000 0.481 110 N N 1.327 120.030 118.700 0.005 0.000 2.725 110 N HA -0.239 4.527 4.740 0.043 0.000 0.249 110 N C -0.270 175.243 175.510 0.006 0.000 1.103 110 N CA 0.564 53.618 53.050 0.006 0.000 0.707 110 N CB -0.847 37.643 38.487 0.006 0.000 1.043 110 N HN 0.728 nan 8.380 nan 0.000 0.553 111 G N -0.457 108.347 108.800 0.007 0.000 2.687 111 G HA2 0.489 4.475 3.960 0.043 0.000 0.291 111 G HA3 0.489 4.475 3.960 0.043 0.000 0.291 111 G C -1.689 173.217 174.900 0.010 0.000 1.420 111 G CA -0.710 44.395 45.100 0.008 0.000 0.796 111 G HN 0.117 nan 8.290 nan 0.000 0.485 112 Q N -0.019 119.788 119.800 0.012 0.000 2.288 112 Q HA 0.599 4.965 4.340 0.043 0.000 0.254 112 Q C 0.460 176.472 176.000 0.019 0.000 0.932 112 Q CA -0.416 55.396 55.803 0.015 0.000 0.902 112 Q CB 1.155 29.902 28.738 0.015 0.000 1.203 112 Q HN 0.831 nan 8.270 nan 0.000 0.415 113 A N 4.205 127.037 122.820 0.022 0.000 2.425 113 A HA 0.195 4.541 4.320 0.043 0.000 0.242 113 A C -0.629 176.981 177.584 0.042 0.000 1.077 113 A CA -0.020 52.036 52.037 0.030 0.000 0.781 113 A CB 0.391 19.407 19.000 0.027 0.000 1.020 113 A HN 0.837 nan 8.150 nan 0.000 0.494 114 E N 0.582 120.820 120.200 0.063 0.000 2.224 114 E HA 0.415 4.791 4.350 0.043 0.000 0.265 114 E C -1.198 175.499 176.600 0.162 0.000 0.878 114 E CA -0.546 55.908 56.400 0.089 0.000 0.759 114 E CB 2.029 31.768 29.700 0.066 0.000 1.164 114 E HN 0.572 nan 8.360 nan 0.000 0.414 115 T N 3.158 117.806 114.554 0.156 0.000 2.824 115 T HA 0.612 4.988 4.350 0.043 0.000 0.280 115 T C -0.685 174.173 174.700 0.262 0.000 0.995 115 T CA -0.548 61.646 62.100 0.157 0.000 1.009 115 T CB 0.249 69.147 68.868 0.050 0.000 0.955 115 T HN 0.407 nan 8.240 nan 0.000 0.452 116 F N -0.749 119.198 119.950 -0.005 0.000 2.711 116 F HA 0.798 5.352 4.527 0.044 0.000 0.313 116 F C -0.881 174.899 175.800 -0.033 0.000 1.141 116 F CA -1.160 56.845 58.000 0.009 0.000 0.941 116 F CB 0.787 39.805 39.000 0.030 0.000 1.349 116 F HN 0.336 nan 8.300 nan 0.000 0.464 117 T N 1.783 116.268 114.554 -0.116 0.000 2.823 117 T HA 0.658 5.034 4.350 0.043 0.000 0.279 117 T C -0.951 173.587 174.700 -0.270 0.000 0.998 117 T CA -0.610 61.268 62.100 -0.369 0.000 0.994 117 T CB 1.761 70.396 68.868 -0.389 0.000 0.960 117 T HN 0.585 nan 8.240 nan 0.000 0.448 118 V N 2.971 122.629 119.914 -0.427 0.000 2.435 118 V HA 0.492 4.638 4.120 0.043 0.000 0.290 118 V C -0.950 174.949 176.094 -0.324 0.000 1.030 118 V CA -0.937 61.259 62.300 -0.174 0.000 0.881 118 V CB 0.968 32.733 31.823 -0.097 0.000 0.983 118 V HN 0.832 nan 8.190 nan 0.000 0.445 119 W N 3.819 125.119 121.300 -0.001 0.000 2.627 119 W HA 0.824 5.509 4.660 0.042 0.000 0.339 119 W C 0.157 176.650 176.519 -0.045 0.000 1.058 119 W CA -0.625 56.706 57.345 -0.024 0.000 1.223 119 W CB 1.408 30.861 29.460 -0.012 0.000 1.389 119 W HN 0.415 nan 8.180 nan 0.000 0.541 120 R N 1.112 121.708 120.500 0.160 0.000 2.651 120 R HA 0.612 4.978 4.340 0.043 0.000 0.278 120 R C -0.441 175.834 176.300 -0.041 0.000 1.010 120 R CA -0.371 55.745 56.100 0.027 0.000 0.896 120 R CB 1.820 32.112 30.300 -0.013 0.000 1.211 120 R HN 0.622 nan 8.270 nan 0.000 0.456 121 T N -1.126 113.325 114.554 -0.173 0.000 2.841 121 T HA 0.177 4.553 4.350 0.043 0.000 0.276 121 T C 0.915 175.442 174.700 -0.289 0.000 1.003 121 T CA -0.458 61.436 62.100 -0.344 0.000 0.995 121 T CB 1.194 69.558 68.868 -0.840 0.000 1.260 121 T HN 0.278 nan 8.240 nan 0.000 0.581 122 V N 0.693 120.386 119.914 -0.369 0.000 2.688 122 V HA -0.164 3.982 4.120 0.043 0.000 0.256 122 V C 2.172 177.877 176.094 -0.649 0.000 1.084 122 V CA 1.844 63.843 62.300 -0.501 0.000 1.103 122 V CB -1.251 30.153 31.823 -0.697 0.000 0.688 122 V HN 0.869 nan 8.190 nan 0.000 0.480 123 H N -0.150 118.641 119.070 -0.465 0.000 2.448 123 H HA 0.424 5.006 4.556 0.043 0.000 0.292 123 H C 1.044 176.163 175.328 -0.350 0.000 1.035 123 H CA 1.030 56.743 56.048 -0.557 0.000 1.349 123 H CB 0.527 29.874 29.762 -0.690 0.000 1.425 123 H HN 0.591 nan 8.280 nan 0.000 0.539 124 G N 0.101 108.807 108.800 -0.156 0.000 2.356 124 G HA2 -0.100 3.886 3.960 0.043 0.000 0.288 124 G HA3 -0.100 3.886 3.960 0.043 0.000 0.288 124 G C -1.430 173.433 174.900 -0.062 0.000 1.302 124 G CA -1.012 44.024 45.100 -0.106 0.000 0.887 124 G HN 0.062 nan 8.290 nan 0.000 0.521 125 N N -0.247 118.439 118.700 -0.023 0.000 2.518 125 N HA 0.420 5.185 4.740 0.043 0.000 0.266 125 N C 0.397 175.939 175.510 0.054 0.000 1.196 125 N CA -0.112 52.954 53.050 0.027 0.000 0.947 125 N CB 0.769 39.286 38.487 0.049 0.000 1.098 125 N HN 0.496 nan 8.380 nan 0.000 0.450 126 I N 2.418 123.043 120.570 0.092 0.000 2.441 126 I HA 0.002 4.198 4.170 0.043 0.000 0.287 126 I C 1.352 177.549 176.117 0.134 0.000 1.049 126 I CA -0.132 61.227 61.300 0.099 0.000 1.381 126 I CB 0.725 38.778 38.000 0.087 0.000 1.409 126 I HN 0.405 nan 8.210 nan 0.000 0.523 127 L N 5.413 126.715 121.223 0.132 0.000 2.253 127 L HA 0.086 4.452 4.340 0.043 0.000 0.205 127 L C 0.521 177.469 176.870 0.131 0.000 1.078 127 L CA 0.573 55.490 54.840 0.128 0.000 0.805 127 L CB -0.063 42.066 42.059 0.117 0.000 0.963 127 L HN 0.704 nan 8.230 nan 0.000 0.459 128 Q N -1.831 118.065 119.800 0.159 0.000 2.578 128 Q HA 0.424 4.790 4.340 0.043 0.000 0.284 128 Q C -1.402 174.715 176.000 0.194 0.000 0.960 128 Q CA -0.813 55.083 55.803 0.155 0.000 0.809 128 Q CB 1.776 30.591 28.738 0.128 0.000 1.462 128 Q HN -0.219 nan 8.270 nan 0.000 0.392 129 T N 1.395 116.027 114.554 0.129 0.000 2.886 129 T HA 0.363 4.739 4.350 0.043 0.000 0.292 129 T C -1.681 173.073 174.700 0.090 0.000 1.012 129 T CA -0.548 61.597 62.100 0.075 0.000 0.982 129 T CB 1.433 70.291 68.868 -0.017 0.000 1.018 129 T HN 0.588 nan 8.240 nan 0.000 0.451 130 D N 2.332 122.784 120.400 0.086 0.000 2.460 130 D HA 0.173 4.839 4.640 0.043 0.000 0.232 130 D C 1.264 177.583 176.300 0.032 0.000 1.079 130 D CA -0.556 53.494 54.000 0.084 0.000 0.864 130 D CB 1.187 42.075 40.800 0.146 0.000 1.048 130 D HN 0.590 nan 8.370 nan 0.000 0.523 131 Q N 1.544 121.357 119.800 0.022 0.000 2.224 131 Q HA -0.130 4.235 4.340 0.043 0.000 0.203 131 Q C 1.525 177.533 176.000 0.012 0.000 0.970 131 Q CA 1.367 57.174 55.803 0.006 0.000 0.865 131 Q CB -0.528 28.213 28.738 0.004 0.000 0.922 131 Q HN 0.506 nan 8.270 nan 0.000 0.445 132 T N 0.080 114.648 114.554 0.023 0.000 2.708 132 T HA -0.147 4.228 4.350 0.043 0.000 0.266 132 T C 2.121 176.834 174.700 0.023 0.000 1.037 132 T CA 1.763 63.877 62.100 0.023 0.000 1.146 132 T CB -0.752 68.133 68.868 0.029 0.000 0.865 132 T HN 0.491 nan 8.240 nan 0.000 0.435 133 T N -1.591 112.979 114.554 0.028 0.000 3.086 133 T HA 0.186 4.562 4.350 0.043 0.000 0.250 133 T C 0.451 175.158 174.700 0.013 0.000 1.074 133 T CA -0.220 61.894 62.100 0.023 0.000 0.988 133 T CB -0.355 68.532 68.868 0.031 0.000 0.988 133 T HN 0.344 nan 8.240 nan 0.000 0.530 134 Q N 1.083 120.887 119.800 0.007 0.000 2.453 134 Q HA -0.118 4.248 4.340 0.043 0.000 0.330 134 Q C -0.816 175.177 176.000 -0.012 0.000 1.417 134 Q CA 0.946 56.752 55.803 0.005 0.000 0.902 134 Q CB -2.528 26.226 28.738 0.027 0.000 1.154 134 Q HN 0.683 nan 8.270 nan 0.000 0.395 135 T N -0.356 114.159 114.554 -0.065 0.000 2.886 135 T HA 0.760 5.136 4.350 0.043 0.000 0.292 135 T C -0.540 174.005 174.700 -0.258 0.000 1.012 135 T CA -0.011 61.977 62.100 -0.186 0.000 0.982 135 T CB 1.956 70.657 68.868 -0.278 0.000 1.018 135 T HN 0.381 nan 8.240 nan 0.000 0.451 136 A N 2.502 125.140 122.820 -0.303 0.000 2.350 136 A HA 0.796 5.142 4.320 0.043 0.000 0.324 136 A C -1.580 175.784 177.584 -0.368 0.000 1.118 136 A CA -0.694 51.200 52.037 -0.239 0.000 0.783 136 A CB 0.751 19.663 19.000 -0.147 0.000 1.236 136 A HN 0.815 nan 8.150 nan 0.000 0.457 137 Y N 1.011 121.301 120.300 -0.016 0.000 2.335 137 Y HA 0.537 5.114 4.550 0.045 0.000 0.339 137 Y C 0.696 176.592 175.900 -0.007 0.000 0.987 137 Y CA -0.012 58.081 58.100 -0.012 0.000 1.140 137 Y CB 1.750 40.207 38.460 -0.004 0.000 1.173 137 Y HN 0.813 nan 8.280 nan 0.000 0.486 138 A N 4.071 126.954 122.820 0.105 0.000 2.317 138 A HA 0.582 4.928 4.320 0.043 0.000 0.327 138 A C -0.696 176.947 177.584 0.099 0.000 1.178 138 A CA -1.033 51.043 52.037 0.065 0.000 0.817 138 A CB 0.852 19.849 19.000 -0.006 0.000 1.189 138 A HN 0.728 nan 8.150 nan 0.000 0.489 139 K N 2.111 122.551 120.400 0.066 0.000 2.253 139 K HA 0.447 4.793 4.320 0.043 0.000 0.277 139 K C -0.729 175.877 176.600 0.009 0.000 1.053 139 K CA -0.095 56.227 56.287 0.059 0.000 0.892 139 K CB 0.599 33.130 32.500 0.051 0.000 1.102 139 K HN 0.582 nan 8.250 nan 0.000 0.469 140 S N 3.650 119.374 115.700 0.040 0.000 2.508 140 S HA 0.418 4.914 4.470 0.043 0.000 0.284 140 S C -0.662 173.960 174.600 0.037 0.000 1.192 140 S CA -0.774 57.389 58.200 -0.062 0.000 1.070 140 S CB 1.039 64.066 63.200 -0.289 0.000 1.004 140 S HN 0.557 nan 8.310 nan 0.000 0.493 141 R N 1.156 121.587 120.500 -0.115 0.000 2.494 141 R HA 0.521 4.887 4.340 0.043 0.000 0.305 141 R C 0.802 177.009 176.300 -0.155 0.000 0.959 141 R CA -0.542 55.339 56.100 -0.365 0.000 0.864 141 R CB 1.123 30.638 30.300 -1.308 0.000 1.159 141 R HN 0.683 nan 8.270 nan 0.000 0.446 142 A N 3.721 126.514 122.820 -0.044 0.000 2.067 142 A HA -0.096 4.250 4.320 0.043 0.000 0.219 142 A C 0.893 178.466 177.584 -0.018 0.000 1.158 142 A CA 0.682 52.702 52.037 -0.028 0.000 0.661 142 A CB -0.360 18.487 19.000 -0.255 0.000 0.801 142 A HN 0.925 nan 8.150 nan 0.000 0.452 143 W N -0.230 121.058 121.300 -0.020 0.000 3.388 143 W HA 0.290 4.976 4.660 0.043 0.000 0.324 143 W C -0.618 175.898 176.519 -0.004 0.000 1.250 143 W CA -0.640 56.674 57.345 -0.053 0.000 1.809 143 W CB -1.262 28.144 29.460 -0.090 0.000 1.083 143 W HN 0.292 nan 8.180 nan 0.000 0.685 144 D N 1.367 121.714 120.400 -0.088 0.000 2.531 144 D HA 0.244 4.910 4.640 0.043 0.000 0.239 144 D C 1.596 177.927 176.300 0.051 0.000 1.144 144 D CA 2.987 56.946 54.000 -0.068 0.000 0.869 144 D CB 0.385 41.117 40.800 -0.115 0.000 1.160 144 D HN 0.334 nan 8.370 nan 0.000 0.484 145 G N 3.552 112.402 108.800 0.084 0.000 2.199 145 G HA2 -0.317 3.669 3.960 0.043 0.000 0.254 145 G HA3 -0.317 3.669 3.960 0.043 0.000 0.254 145 G C 0.808 175.750 174.900 0.071 0.000 0.982 145 G CA 0.413 45.549 45.100 0.060 0.000 0.632 145 G HN 0.578 nan 8.290 nan 0.000 0.529 146 K N -0.178 120.294 120.400 0.120 0.000 2.506 146 K HA 0.318 4.664 4.320 0.043 0.000 0.204 146 K C 1.408 178.053 176.600 0.075 0.000 1.045 146 K CA 0.191 56.524 56.287 0.077 0.000 1.074 146 K CB 0.548 33.083 32.500 0.057 0.000 0.842 146 K HN 0.288 nan 8.250 nan 0.000 0.514 147 E N 0.707 120.978 120.200 0.118 0.000 2.051 147 E HA -0.151 4.225 4.350 0.043 0.000 0.192 147 E C 1.748 178.346 176.600 -0.003 0.000 0.991 147 E CA 1.237 57.668 56.400 0.051 0.000 0.799 147 E CB -0.069 29.688 29.700 0.095 0.000 0.748 147 E HN -0.025 nan 8.360 nan 0.000 0.449 148 V N 0.955 120.874 119.914 0.008 0.000 2.427 148 V HA -0.207 3.939 4.120 0.043 0.000 0.248 148 V C 2.198 178.286 176.094 -0.008 0.000 1.051 148 V CA 1.590 63.885 62.300 -0.009 0.000 1.048 148 V CB -0.786 31.035 31.823 -0.003 0.000 0.666 148 V HN 0.347 nan 8.190 nan 0.000 0.456 149 A N -0.132 122.684 122.820 -0.007 0.000 1.940 149 A HA -0.219 4.127 4.320 0.043 0.000 0.219 149 A C 2.485 180.052 177.584 -0.029 0.000 1.176 149 A CA 2.325 54.352 52.037 -0.017 0.000 0.631 149 A CB -0.647 18.333 19.000 -0.034 0.000 0.814 149 A HN 0.518 nan 8.150 nan 0.000 0.446 150 S N -0.504 115.174 115.700 -0.037 0.000 2.368 150 S HA -0.112 4.384 4.470 0.043 0.000 0.224 150 S C 1.889 176.545 174.600 0.093 0.000 1.029 150 S CA 1.216 59.397 58.200 -0.032 0.000 0.988 150 S CB -0.499 62.662 63.200 -0.066 0.000 0.838 150 S HN 0.587 nan 8.310 nan 0.000 0.462 151 L N 1.338 122.590 121.223 0.047 0.000 2.012 151 L HA -0.110 4.256 4.340 0.043 0.000 0.210 151 L C 2.020 178.920 176.870 0.049 0.000 1.073 151 L CA 1.477 56.337 54.840 0.033 0.000 0.748 151 L CB -0.280 41.736 42.059 -0.072 0.000 0.891 151 L HN 0.295 nan 8.230 nan 0.000 0.431 152 L N -0.247 120.981 121.223 0.008 0.000 2.093 152 L HA -0.155 4.211 4.340 0.043 0.000 0.208 152 L C 2.863 179.743 176.870 0.017 0.000 1.085 152 L CA 0.986 55.803 54.840 -0.037 0.000 0.755 152 L CB -0.775 41.297 42.059 0.023 0.000 0.904 152 L HN 0.359 nan 8.230 nan 0.000 0.435 153 A N -0.744 122.116 122.820 0.065 0.000 1.933 153 A HA -0.250 4.095 4.320 0.043 0.000 0.218 153 A C 2.097 179.777 177.584 0.159 0.000 1.175 153 A CA 1.251 53.323 52.037 0.059 0.000 0.628 153 A CB -0.845 18.094 19.000 -0.102 0.000 0.814 153 A HN 0.580 nan 8.150 nan 0.000 0.444 154 W N 0.972 122.313 121.300 0.067 0.000 2.519 154 W HA -0.040 4.646 4.660 0.044 0.000 0.266 154 W C 1.805 178.234 176.519 -0.150 0.000 1.253 154 W CA 1.709 59.063 57.345 0.014 0.000 1.274 154 W CB -0.606 28.868 29.460 0.023 0.000 1.114 154 W HN 0.408 nan 8.180 nan 0.000 0.596 155 T N -1.687 112.913 114.554 0.077 0.000 2.866 155 T HA -0.101 4.275 4.350 0.043 0.000 0.250 155 T C 1.510 176.222 174.700 0.020 0.000 1.033 155 T CA 1.059 63.133 62.100 -0.043 0.000 1.145 155 T CB -0.524 68.236 68.868 -0.180 0.000 0.866 155 T HN 0.008 nan 8.240 nan 0.000 0.434 156 H N 2.157 121.285 119.070 0.096 0.000 2.456 156 H HA -0.071 4.511 4.556 0.044 0.000 0.296 156 H C 2.513 177.822 175.328 -0.031 0.000 1.079 156 H CA 1.604 57.681 56.048 0.047 0.000 1.322 156 H CB -0.276 29.485 29.762 -0.000 0.000 1.388 156 H HN 0.567 nan 8.280 nan 0.000 0.538 157 Q N 0.352 120.159 119.800 0.011 0.000 2.291 157 Q HA -0.095 4.271 4.340 0.043 0.000 0.206 157 Q C 1.961 177.829 176.000 -0.219 0.000 0.976 157 Q CA 1.262 57.000 55.803 -0.109 0.000 0.875 157 Q CB -0.464 28.079 28.738 -0.325 0.000 0.927 157 Q HN 0.342 nan 8.270 nan 0.000 0.450 158 M N 0.144 119.547 119.600 -0.329 0.000 2.460 158 M HA -0.039 4.467 4.480 0.043 0.000 0.263 158 M C 1.133 177.449 176.300 0.026 0.000 1.071 158 M CA 1.291 56.338 55.300 -0.422 0.000 1.096 158 M CB -0.010 32.559 32.600 -0.051 0.000 1.408 158 M HN 0.192 nan 8.290 nan 0.000 0.463 159 K N 0.216 120.636 120.400 0.034 0.000 2.374 159 K HA 0.278 4.623 4.320 0.043 0.000 0.196 159 K C 0.472 177.128 176.600 0.093 0.000 1.023 159 K CA -0.305 55.994 56.287 0.021 0.000 1.103 159 K CB 0.324 32.742 32.500 -0.137 0.000 0.848 159 K HN 0.162 nan 8.250 nan 0.000 0.528 160 A N 1.702 124.617 122.820 0.158 0.000 2.462 160 A HA 0.069 4.415 4.320 0.043 0.000 0.243 160 A C 0.449 178.193 177.584 0.267 0.000 1.076 160 A CA 0.200 52.374 52.037 0.228 0.000 0.773 160 A CB 0.327 19.546 19.000 0.365 0.000 1.010 160 A HN 0.194 nan 8.150 nan 0.000 0.493 161 K N 0.436 120.977 120.400 0.234 0.000 2.402 161 K HA 0.101 4.446 4.320 0.043 0.000 0.204 161 K C -0.497 176.267 176.600 0.273 0.000 1.056 161 K CA 0.328 56.753 56.287 0.229 0.000 1.069 161 K CB 0.191 32.789 32.500 0.164 0.000 0.888 161 K HN 0.929 nan 8.250 nan 0.000 0.546 162 N N -2.499 116.406 118.700 0.341 0.000 3.116 162 N HA -0.025 4.740 4.740 0.043 0.000 0.244 162 N C -0.136 175.614 175.510 0.400 0.000 1.485 162 N CA -0.985 52.300 53.050 0.392 0.000 0.884 162 N CB -0.205 38.432 38.487 0.251 0.000 1.415 162 N HN -0.047 nan 8.380 nan 0.000 0.524 163 W N 0.318 121.597 121.300 -0.035 0.000 2.358 163 W HA -0.185 4.500 4.660 0.042 0.000 0.303 163 W C 1.403 177.871 176.519 -0.085 0.000 1.208 163 W CA 2.230 59.353 57.345 -0.369 0.000 1.274 163 W CB 0.125 29.131 29.460 -0.757 0.000 1.138 163 W HN 0.853 nan 8.180 nan 0.000 0.515 164 Q N 0.645 120.440 119.800 -0.008 0.000 2.050 164 Q HA -0.243 4.122 4.340 0.043 0.000 0.202 164 Q C 2.051 177.998 176.000 -0.088 0.000 0.980 164 Q CA 2.193 57.933 55.803 -0.105 0.000 0.840 164 Q CB -0.446 28.288 28.738 -0.006 0.000 0.898 164 Q HN 0.360 nan 8.270 nan 0.000 0.424 165 E N -0.450 119.766 120.200 0.026 0.000 2.077 165 E HA -0.217 4.159 4.350 0.043 0.000 0.193 165 E C 1.531 178.171 176.600 0.067 0.000 0.989 165 E CA 1.236 57.662 56.400 0.042 0.000 0.800 165 E CB -0.282 29.477 29.700 0.099 0.000 0.746 165 E HN 0.501 nan 8.360 nan 0.000 0.452 166 W N 1.650 122.914 121.300 -0.060 0.000 2.379 166 W HA -0.177 4.508 4.660 0.042 0.000 0.307 166 W C 2.590 179.005 176.519 -0.173 0.000 1.200 166 W CA 2.513 59.843 57.345 -0.026 0.000 1.297 166 W CB -0.404 29.159 29.460 0.171 0.000 1.140 166 W HN 0.041 nan 8.180 nan 0.000 0.507 167 T N -1.655 112.717 114.554 -0.304 0.000 2.962 167 T HA -0.241 4.134 4.350 0.043 0.000 0.270 167 T C 1.674 176.038 174.700 -0.560 0.000 1.088 167 T CA 1.477 63.239 62.100 -0.563 0.000 1.127 167 T CB -0.561 67.894 68.868 -0.688 0.000 0.883 167 T HN 0.427 nan 8.240 nan 0.000 0.493 168 Q N 0.222 119.784 119.800 -0.396 0.000 2.124 168 Q HA -0.162 4.204 4.340 0.043 0.000 0.202 168 Q C 2.409 178.154 176.000 -0.425 0.000 0.977 168 Q CA 1.260 56.832 55.803 -0.385 0.000 0.850 168 Q CB -0.057 28.539 28.738 -0.237 0.000 0.901 168 Q HN 0.483 nan 8.270 nan 0.000 0.429 169 Q N -0.570 119.007 119.800 -0.372 0.000 2.137 169 Q HA -0.003 4.363 4.340 0.043 0.000 0.198 169 Q C 2.028 177.695 176.000 -0.556 0.000 0.960 169 Q CA 1.162 56.762 55.803 -0.338 0.000 0.847 169 Q CB -0.323 28.313 28.738 -0.171 0.000 0.915 169 Q HN 0.455 nan 8.270 nan 0.000 0.448 170 A N 1.418 123.787 122.820 -0.752 0.000 1.940 170 A HA -0.125 4.221 4.320 0.043 0.000 0.219 170 A C 2.265 179.255 177.584 -0.990 0.000 1.176 170 A CA 1.876 53.238 52.037 -1.125 0.000 0.631 170 A CB -0.604 17.829 19.000 -0.944 0.000 0.814 170 A HN 0.345 nan 8.150 nan 0.000 0.446 171 A N -0.655 121.485 122.820 -1.133 0.000 2.121 171 A HA -0.065 4.281 4.320 0.043 0.000 0.218 171 A C 1.908 179.097 177.584 -0.658 0.000 1.154 171 A CA 1.520 52.798 52.037 -1.264 0.000 0.679 171 A CB -0.282 17.776 19.000 -1.570 0.000 0.795 171 A HN 0.570 nan 8.150 nan 0.000 0.458 172 K N -0.686 119.380 120.400 -0.556 0.000 2.374 172 K HA 0.084 4.430 4.320 0.043 0.000 0.196 172 K C 0.565 176.942 176.600 -0.373 0.000 1.023 172 K CA -0.111 55.953 56.287 -0.372 0.000 1.103 172 K CB 0.341 32.679 32.500 -0.270 0.000 0.848 172 K HN 0.262 nan 8.250 nan 0.000 0.528 173 Q N 0.888 120.348 119.800 -0.567 0.000 2.349 173 Q HA 0.224 4.590 4.340 0.043 0.000 0.254 173 Q C 0.032 175.735 176.000 -0.494 0.000 0.980 173 Q CA -0.055 55.379 55.803 -0.615 0.000 0.924 173 Q CB 1.542 29.578 28.738 -1.170 0.000 1.209 173 Q HN 0.228 nan 8.270 nan 0.000 0.445 174 A N 5.404 128.029 122.820 -0.325 0.000 2.195 174 A HA 0.212 4.558 4.320 0.043 0.000 0.210 174 A C 0.714 178.136 177.584 -0.270 0.000 1.165 174 A CA -0.005 51.891 52.037 -0.235 0.000 0.806 174 A CB 0.275 19.234 19.000 -0.069 0.000 0.847 174 A HN 0.662 nan 8.150 nan 0.000 0.482 175 L N -0.605 120.394 121.223 -0.373 0.000 2.466 175 L HA 0.223 4.589 4.340 0.043 0.000 0.257 175 L C 0.859 177.539 176.870 -0.317 0.000 1.189 175 L CA -0.331 54.240 54.840 -0.447 0.000 0.813 175 L CB 0.645 42.455 42.059 -0.416 0.000 1.118 175 L HN 0.060 nan 8.230 nan 0.000 0.471 176 T N 3.673 118.104 114.554 -0.204 0.000 2.987 176 T HA 0.413 4.789 4.350 0.043 0.000 0.288 176 T C -0.407 174.253 174.700 -0.066 0.000 0.981 176 T CA -0.329 61.721 62.100 -0.083 0.000 1.031 176 T CB -0.824 68.129 68.868 0.140 0.000 0.976 176 T HN 0.216 nan 8.240 nan 0.000 0.612 177 I N 4.474 124.950 120.570 -0.156 0.000 2.607 177 I HA 0.362 4.557 4.170 0.043 0.000 0.290 177 I C -0.330 175.787 176.117 0.001 0.000 1.129 177 I CA -1.109 60.206 61.300 0.025 0.000 1.042 177 I CB 2.070 40.114 38.000 0.072 0.000 1.242 177 I HN 0.452 nan 8.210 nan 0.000 0.421 178 N N 4.590 123.459 118.700 0.282 0.000 2.458 178 N HA 0.216 4.982 4.740 0.043 0.000 0.270 178 N C -1.030 174.705 175.510 0.375 0.000 1.102 178 N CA -0.052 53.172 53.050 0.290 0.000 0.967 178 N CB 1.236 40.061 38.487 0.565 0.000 1.078 178 N HN 0.378 nan 8.380 nan 0.000 0.471 179 W N 2.255 123.481 121.300 -0.123 0.000 2.627 179 W HA 0.423 5.107 4.660 0.041 0.000 0.339 179 W C -0.545 176.077 176.519 0.172 0.000 1.058 179 W CA -0.545 56.883 57.345 0.138 0.000 1.223 179 W CB 0.458 29.949 29.460 0.052 0.000 1.389 179 W HN 0.348 nan 8.180 nan 0.000 0.541 180 Y N 1.726 122.581 120.300 0.924 0.000 2.512 180 Y HA 0.450 5.026 4.550 0.043 0.000 0.348 180 Y C -0.907 175.243 175.900 0.415 0.000 0.990 180 Y CA -1.532 56.983 58.100 0.693 0.000 1.033 180 Y CB 1.940 40.690 38.460 0.483 0.000 1.259 180 Y HN 0.310 nan 8.280 nan 0.000 0.461 181 Y N 1.238 121.631 120.300 0.154 0.000 2.512 181 Y HA 0.882 5.457 4.550 0.043 0.000 0.348 181 Y C -1.305 174.554 175.900 -0.068 0.000 0.990 181 Y CA -1.091 56.854 58.100 -0.257 0.000 1.033 181 Y CB 1.643 39.736 38.460 -0.612 0.000 1.259 181 Y HN 0.805 nan 8.280 nan 0.000 0.461 182 A N 3.834 126.293 122.820 -0.601 0.000 2.587 182 A HA 0.740 5.086 4.320 0.043 0.000 0.293 182 A C -1.886 174.898 177.584 -1.334 0.000 1.087 182 A CA -0.327 51.297 52.037 -0.688 0.000 0.692 182 A CB 1.628 20.363 19.000 -0.440 0.000 1.291 182 A HN 0.823 nan 8.150 nan 0.000 0.407 183 D N -1.043 118.595 120.400 -1.271 0.000 2.596 183 D HA 0.331 4.997 4.640 0.043 0.000 0.262 183 D C 0.400 176.229 176.300 -0.786 0.000 1.210 183 D CA -0.068 53.320 54.000 -1.021 0.000 0.873 183 D CB 1.024 41.607 40.800 -0.361 0.000 1.408 183 D HN 0.700 nan 8.370 nan 0.000 0.441 184 V N 0.626 120.429 119.914 -0.184 0.000 2.568 184 V HA -0.192 3.954 4.120 0.043 0.000 0.253 184 V C 0.821 176.935 176.094 0.033 0.000 1.072 184 V CA 1.908 64.273 62.300 0.110 0.000 1.084 184 V CB -0.788 31.127 31.823 0.154 0.000 0.676 184 V HN 0.512 nan 8.190 nan 0.000 0.469 185 N N 0.214 118.904 118.700 -0.017 0.000 2.398 185 N HA 0.132 4.898 4.740 0.043 0.000 0.188 185 N C 1.413 176.903 175.510 -0.033 0.000 1.122 185 N CA 1.019 54.070 53.050 0.001 0.000 0.866 185 N CB 0.622 39.126 38.487 0.029 0.000 0.970 185 N HN 0.675 nan 8.380 nan 0.000 0.462 186 G N 0.336 109.080 108.800 -0.094 0.000 2.157 186 G HA2 -0.238 3.748 3.960 0.043 0.000 0.239 186 G HA3 -0.238 3.748 3.960 0.043 0.000 0.239 186 G C -0.088 174.728 174.900 -0.140 0.000 0.982 186 G CA -0.457 44.584 45.100 -0.098 0.000 0.650 186 G HN 0.262 nan 8.290 nan 0.000 0.527 187 N N 0.706 119.320 118.700 -0.143 0.000 2.525 187 N HA 0.601 5.367 4.740 0.043 0.000 0.271 187 N C 0.581 176.013 175.510 -0.129 0.000 1.194 187 N CA 0.816 53.749 53.050 -0.195 0.000 0.964 187 N CB 1.320 39.767 38.487 -0.068 0.000 1.126 187 N HN 0.841 nan 8.380 nan 0.000 0.452 188 I N -3.236 117.210 120.570 -0.207 0.000 2.865 188 I HA 0.892 5.088 4.170 0.043 0.000 0.302 188 I C -0.029 176.072 176.117 -0.028 0.000 1.140 188 I CA -0.975 60.321 61.300 -0.007 0.000 1.021 188 I CB 2.427 40.427 38.000 -0.001 0.000 1.233 188 I HN 0.454 nan 8.210 nan 0.000 0.427 189 G N 2.148 111.092 108.800 0.240 0.000 2.623 189 G HA2 0.592 4.578 3.960 0.043 0.000 0.290 189 G HA3 0.592 4.578 3.960 0.043 0.000 0.290 189 G C -2.624 172.654 174.900 0.631 0.000 1.437 189 G CA -0.601 44.644 45.100 0.243 0.000 0.798 189 G HN 0.865 nan 8.290 nan 0.000 0.488 190 Y N -0.079 120.542 120.300 0.536 0.000 2.479 190 Y HA 0.666 5.241 4.550 0.043 0.000 0.338 190 Y C -1.595 174.574 175.900 0.449 0.000 1.055 190 Y CA -1.130 57.224 58.100 0.424 0.000 1.023 190 Y CB 2.127 40.736 38.460 0.248 0.000 1.287 190 Y HN 0.587 nan 8.280 nan 0.000 0.447 191 V N 5.424 125.219 119.914 -0.198 0.000 2.623 191 V HA 0.205 4.351 4.120 0.043 0.000 0.304 191 V C -1.093 174.600 176.094 -0.668 0.000 1.054 191 V CA -0.854 61.202 62.300 -0.406 0.000 0.882 191 V CB 1.467 33.217 31.823 -0.121 0.000 1.002 191 V HN 0.839 nan 8.190 nan 0.000 0.424 192 H N 3.619 122.194 119.070 -0.825 0.000 3.109 192 H HA 0.428 5.009 4.556 0.042 0.000 0.266 192 H C 0.672 175.834 175.328 -0.277 0.000 1.334 192 H CA 0.183 55.956 56.048 -0.459 0.000 1.456 192 H CB 0.354 29.852 29.762 -0.440 0.000 1.587 192 H HN 0.850 nan 8.280 nan 0.000 0.500 193 T N 1.728 116.009 114.554 -0.455 0.000 2.828 193 T HA 0.639 5.015 4.350 0.043 0.000 0.290 193 T C 0.638 175.154 174.700 -0.306 0.000 1.019 193 T CA 0.054 61.890 62.100 -0.440 0.000 1.031 193 T CB 1.349 69.691 68.868 -0.877 0.000 1.001 193 T HN 0.949 nan 8.240 nan 0.000 0.531 194 G N -0.462 108.197 108.800 -0.234 0.000 2.347 194 G HA2 0.508 4.494 3.960 0.043 0.000 0.477 194 G HA3 0.508 4.494 3.960 0.043 0.000 0.477 194 G C -0.775 173.906 174.900 -0.364 0.000 1.349 194 G CA -0.499 44.394 45.100 -0.345 0.000 1.000 194 G HN 1.309 nan 8.290 nan 0.000 0.605 195 A N -0.172 122.356 122.820 -0.488 0.000 2.301 195 A HA 0.846 5.192 4.320 0.043 0.000 0.298 195 A C -1.003 176.113 177.584 -0.780 0.000 1.185 195 A CA -0.230 51.580 52.037 -0.378 0.000 0.830 195 A CB 0.445 19.343 19.000 -0.171 0.000 1.112 195 A HN 1.208 nan 8.150 nan 0.000 0.508 196 Y N 2.331 122.592 120.300 -0.065 0.000 2.442 196 Y HA 0.496 5.071 4.550 0.042 0.000 0.344 196 Y C -2.218 173.513 175.900 -0.281 0.000 0.976 196 Y CA -2.430 55.595 58.100 -0.125 0.000 1.040 196 Y CB 2.194 40.644 38.460 -0.017 0.000 1.228 196 Y HN 0.518 nan 8.280 nan 0.000 0.451 197 P HA 0.024 nan 4.420 nan 0.000 0.275 197 P C -0.725 176.341 177.300 -0.389 0.000 1.228 197 P CA -0.151 62.492 63.100 -0.762 0.000 0.786 197 P CB 1.300 31.794 31.700 -2.009 0.000 0.927 198 D N 2.771 123.030 120.400 -0.235 0.000 2.441 198 D HA 0.136 4.802 4.640 0.043 0.000 0.221 198 D C -0.097 176.202 176.300 -0.002 0.000 1.156 198 D CA -0.322 53.633 54.000 -0.075 0.000 0.896 198 D CB 0.051 40.848 40.800 -0.004 0.000 1.028 198 D HN 0.159 nan 8.370 nan 0.000 0.509 199 R N 2.510 123.005 120.500 -0.007 0.000 2.490 199 R HA 0.223 4.589 4.340 0.043 0.000 0.278 199 R C 0.640 177.081 176.300 0.235 0.000 1.069 199 R CA -0.780 55.419 56.100 0.165 0.000 1.080 199 R CB 0.869 31.135 30.300 -0.057 0.000 1.030 199 R HN 0.410 nan 8.270 nan 0.000 0.491 200 Q N 0.794 120.821 119.800 0.378 0.000 2.432 200 Q HA -0.021 4.345 4.340 0.043 0.000 0.264 200 Q C 0.119 176.286 176.000 0.280 0.000 1.035 200 Q CA 0.308 56.256 55.803 0.241 0.000 0.908 200 Q CB 0.840 29.645 28.738 0.112 0.000 1.280 200 Q HN 0.522 nan 8.270 nan 0.000 0.455 201 S N -0.067 115.730 115.700 0.161 0.000 2.546 201 S HA 0.284 4.780 4.470 0.043 0.000 0.290 201 S C 1.039 175.831 174.600 0.320 0.000 1.290 201 S CA 0.940 59.246 58.200 0.177 0.000 1.069 201 S CB -0.205 63.052 63.200 0.094 0.000 0.846 201 S HN 0.812 nan 8.310 nan 0.000 0.495 202 G N 3.228 112.218 108.800 0.317 0.000 2.175 202 G HA2 -0.236 3.750 3.960 0.043 0.000 0.244 202 G HA3 -0.236 3.750 3.960 0.043 0.000 0.244 202 G C 0.056 175.150 174.900 0.323 0.000 0.982 202 G CA 0.413 45.718 45.100 0.342 0.000 0.641 202 G HN 1.032 nan 8.290 nan 0.000 0.527 203 H N 1.175 120.422 119.070 0.294 0.000 2.864 203 H HA 0.448 5.030 4.556 0.043 0.000 0.281 203 H C -0.623 174.728 175.328 0.039 0.000 1.093 203 H CA -0.434 55.696 56.048 0.138 0.000 1.453 203 H CB 0.541 30.491 29.762 0.313 0.000 1.462 203 H HN 0.123 nan 8.280 nan 0.000 0.480 204 D N 7.506 128.035 120.400 0.215 0.000 2.336 204 D HA 0.028 4.694 4.640 0.043 0.000 0.249 204 D C -1.597 174.803 176.300 0.168 0.000 1.213 204 D CA -2.298 51.767 54.000 0.107 0.000 0.870 204 D CB 1.619 42.430 40.800 0.019 0.000 1.076 204 D HN 0.465 nan 8.370 nan 0.000 0.483 205 P HA -0.001 nan 4.420 nan 0.000 0.242 205 P C 0.707 178.030 177.300 0.039 0.000 1.197 205 P CA 0.294 63.402 63.100 0.014 0.000 0.765 205 P CB 0.364 32.003 31.700 -0.101 0.000 0.936 206 R N -0.871 119.643 120.500 0.022 0.000 2.297 206 R HA 0.266 4.632 4.340 0.043 0.000 0.197 206 R C 0.764 177.064 176.300 0.001 0.000 0.943 206 R CA 0.324 56.429 56.100 0.009 0.000 1.038 206 R CB -0.041 30.259 30.300 0.001 0.000 0.957 206 R HN 0.244 nan 8.270 nan 0.000 0.484 207 L N 0.178 121.398 121.223 -0.005 0.000 2.393 207 L HA 0.470 4.836 4.340 0.043 0.000 0.260 207 L C -2.442 174.374 176.870 -0.090 0.000 1.002 207 L CA -2.710 52.101 54.840 -0.049 0.000 0.818 207 L CB 2.102 44.118 42.059 -0.071 0.000 1.369 207 L HN -0.245 nan 8.230 nan 0.000 0.412 208 P HA 0.119 nan 4.420 nan 0.000 0.269 208 P C -1.233 175.877 177.300 -0.318 0.000 1.217 208 P CA -0.291 62.710 63.100 -0.164 0.000 0.783 208 P CB 0.498 32.181 31.700 -0.029 0.000 0.898 209 V N -1.234 118.380 119.914 -0.501 0.000 2.715 209 V HA 0.566 4.712 4.120 0.043 0.000 0.310 209 V C -2.614 173.250 176.094 -0.384 0.000 1.054 209 V CA -3.202 58.720 62.300 -0.630 0.000 0.928 209 V CB 1.355 32.618 31.823 -0.934 0.000 1.007 209 V HN 0.338 nan 8.190 nan 0.000 0.437 210 P HA 0.216 nan 4.420 nan 0.000 0.266 210 P C 0.799 178.189 177.300 0.150 0.000 1.195 210 P CA 0.393 63.477 63.100 -0.027 0.000 0.768 210 P CB 0.667 32.404 31.700 0.062 0.000 0.838 211 G N 0.582 109.461 108.800 0.132 0.000 3.337 211 G HA2 -0.012 3.974 3.960 0.043 0.000 0.246 211 G HA3 -0.012 3.974 3.960 0.043 0.000 0.246 211 G C 0.886 176.004 174.900 0.364 0.000 1.131 211 G CA 0.057 45.268 45.100 0.186 0.000 0.773 211 G HN 0.532 nan 8.290 nan 0.000 0.544 212 T N -3.347 111.357 114.554 0.250 0.000 3.118 212 T HA 0.372 4.748 4.350 0.043 0.000 0.260 212 T C 1.811 176.563 174.700 0.086 0.000 1.139 212 T CA 1.188 63.383 62.100 0.159 0.000 1.085 212 T CB 0.279 69.178 68.868 0.051 0.000 0.934 212 T HN 0.940 nan 8.240 nan 0.000 0.518 213 G N 1.541 110.436 108.800 0.158 0.000 2.617 213 G HA2 -0.219 3.767 3.960 0.043 0.000 0.197 213 G HA3 -0.219 3.767 3.960 0.043 0.000 0.197 213 G C 0.805 175.711 174.900 0.010 0.000 1.017 213 G CA 0.280 45.377 45.100 -0.006 0.000 0.713 213 G HN 0.505 nan 8.290 nan 0.000 0.481 214 K N -0.221 120.160 120.400 -0.031 0.000 2.283 214 K HA 0.018 4.364 4.320 0.043 0.000 0.202 214 K C 1.465 177.806 176.600 -0.431 0.000 1.048 214 K CA 1.207 57.347 56.287 -0.246 0.000 0.948 214 K CB -0.195 32.096 32.500 -0.348 0.000 0.742 214 K HN 0.536 nan 8.250 nan 0.000 0.458 215 W N 1.907 123.279 121.300 0.119 0.000 3.239 215 W HA 0.174 4.860 4.660 0.044 0.000 0.348 215 W C -0.437 176.279 176.519 0.329 0.000 1.183 215 W CA -0.952 56.479 57.345 0.143 0.000 1.819 215 W CB 0.397 29.848 29.460 -0.015 0.000 1.091 215 W HN -0.086 nan 8.180 nan 0.000 0.629 216 D N 0.124 120.776 120.400 0.421 0.000 2.449 216 D HA -0.085 4.581 4.640 0.043 0.000 0.236 216 D C 0.437 177.022 176.300 0.475 0.000 1.149 216 D CA 0.311 54.547 54.000 0.394 0.000 0.878 216 D CB 0.505 41.452 40.800 0.245 0.000 1.198 216 D HN -0.201 nan 8.370 nan 0.000 0.446 217 W N 1.755 123.289 121.300 0.389 0.000 2.209 217 W HA 0.010 4.695 4.660 0.042 0.000 0.344 217 W C 1.556 178.171 176.519 0.161 0.000 1.285 217 W CA -0.424 57.092 57.345 0.284 0.000 1.267 217 W CB -0.130 29.483 29.460 0.255 0.000 1.167 217 W HN 0.461 nan 8.180 nan 0.000 0.574 218 K N 1.380 121.983 120.400 0.338 0.000 2.217 218 K HA 0.149 4.495 4.320 0.043 0.000 0.202 218 K C 1.192 177.888 176.600 0.160 0.000 1.051 218 K CA 1.156 57.556 56.287 0.188 0.000 0.952 218 K CB 0.124 32.697 32.500 0.121 0.000 0.736 218 K HN 0.627 nan 8.250 nan 0.000 0.453 219 G N -0.178 108.728 108.800 0.176 0.000 2.367 219 G HA2 0.164 4.150 3.960 0.043 0.000 0.272 219 G HA3 0.164 4.150 3.960 0.043 0.000 0.272 219 G C -1.861 173.069 174.900 0.050 0.000 1.271 219 G CA -1.034 44.137 45.100 0.118 0.000 0.893 219 G HN -0.037 nan 8.290 nan 0.000 0.485 220 L N 0.787 122.019 121.223 0.015 0.000 2.331 220 L HA 0.584 4.950 4.340 0.043 0.000 0.275 220 L C 0.399 177.262 176.870 -0.011 0.000 1.022 220 L CA -0.849 53.970 54.840 -0.035 0.000 0.812 220 L CB 1.611 43.654 42.059 -0.027 0.000 1.257 220 L HN 0.400 nan 8.230 nan 0.000 0.435 221 L N 3.161 124.379 121.223 -0.008 0.000 2.467 221 L HA 0.229 4.595 4.340 0.043 0.000 0.270 221 L C -1.785 175.109 176.870 0.042 0.000 1.205 221 L CA -1.538 53.316 54.840 0.024 0.000 0.828 221 L CB 0.120 42.207 42.059 0.047 0.000 1.101 221 L HN 0.397 nan 8.230 nan 0.000 0.479 222 P HA -0.016 nan 4.420 nan 0.000 0.274 222 P C 0.367 177.715 177.300 0.079 0.000 1.237 222 P CA -0.359 62.774 63.100 0.055 0.000 0.793 222 P CB 0.568 32.291 31.700 0.037 0.000 0.977 223 F N 1.421 121.339 119.950 -0.054 0.000 2.269 223 F HA -0.158 4.394 4.527 0.042 0.000 0.301 223 F C 2.266 178.028 175.800 -0.064 0.000 1.082 223 F CA 1.748 59.700 58.000 -0.079 0.000 1.360 223 F CB -0.358 38.565 39.000 -0.128 0.000 1.041 223 F HN 0.497 nan 8.300 nan 0.000 0.512 224 E N -0.203 119.946 120.200 -0.086 0.000 2.114 224 E HA -0.278 4.098 4.350 0.043 0.000 0.199 224 E C 2.020 178.502 176.600 -0.197 0.000 1.008 224 E CA 1.905 58.224 56.400 -0.135 0.000 0.810 224 E CB -0.179 29.503 29.700 -0.030 0.000 0.739 224 E HN 0.330 nan 8.360 nan 0.000 0.456 225 M N 0.832 120.351 119.600 -0.135 0.000 2.419 225 M HA 0.019 4.525 4.480 0.043 0.000 0.264 225 M C 0.155 176.362 176.300 -0.155 0.000 1.082 225 M CA 0.467 55.708 55.300 -0.099 0.000 1.119 225 M CB -0.998 31.586 32.600 -0.026 0.000 1.398 225 M HN -0.027 nan 8.290 nan 0.000 0.453 226 N N 1.657 120.197 118.700 -0.268 0.000 2.447 226 N HA 0.082 4.848 4.740 0.043 0.000 0.263 226 N C -2.470 172.838 175.510 -0.336 0.000 1.226 226 N CA -0.656 52.218 53.050 -0.293 0.000 0.906 226 N CB 0.036 38.271 38.487 -0.419 0.000 1.060 226 N HN -0.012 nan 8.380 nan 0.000 0.468 227 P HA -0.011 nan 4.420 nan 0.000 0.262 227 P C -0.718 176.414 177.300 -0.280 0.000 1.182 227 P CA 0.445 63.368 63.100 -0.295 0.000 0.761 227 P CB 0.341 31.781 31.700 -0.433 0.000 0.795 228 K N 0.850 121.167 120.400 -0.138 0.000 2.568 228 K HA 0.792 5.138 4.320 0.043 0.000 0.273 228 K C -2.010 174.672 176.600 0.137 0.000 0.951 228 K CA -1.096 55.177 56.287 -0.023 0.000 0.854 228 K CB 1.933 34.430 32.500 -0.006 0.000 1.424 228 K HN 0.189 nan 8.250 nan 0.000 0.427 229 V N 1.791 121.863 119.914 0.264 0.000 3.012 229 V HA 0.561 4.706 4.120 0.043 0.000 0.307 229 V C -2.267 173.899 176.094 0.120 0.000 1.166 229 V CA -0.557 61.855 62.300 0.185 0.000 0.974 229 V CB 2.117 34.029 31.823 0.148 0.000 1.040 229 V HN 0.808 nan 8.190 nan 0.000 0.428 230 Y N 5.763 125.925 120.300 -0.231 0.000 2.361 230 Y HA 0.527 5.103 4.550 0.043 0.000 0.337 230 Y C 0.343 176.054 175.900 -0.316 0.000 0.965 230 Y CA -0.947 56.814 58.100 -0.566 0.000 1.091 230 Y CB 1.410 39.272 38.460 -0.997 0.000 1.182 230 Y HN 0.837 nan 8.280 nan 0.000 0.450 231 N N 5.015 123.355 118.700 -0.600 0.000 2.671 231 N HA -0.142 4.624 4.740 0.043 0.000 0.261 231 N C -2.819 172.560 175.510 -0.218 0.000 1.053 231 N CA 0.714 53.501 53.050 -0.438 0.000 0.732 231 N CB -0.825 37.325 38.487 -0.562 0.000 0.887 231 N HN 0.459 nan 8.380 nan 0.000 0.546 232 P HA -0.011 nan 4.420 nan 0.000 0.269 232 P C 0.754 177.987 177.300 -0.112 0.000 1.209 232 P CA 0.043 63.076 63.100 -0.112 0.000 0.776 232 P CB 0.730 32.360 31.700 -0.118 0.000 0.876 233 Q N 1.121 120.865 119.800 -0.095 0.000 2.234 233 Q HA -0.149 4.217 4.340 0.043 0.000 0.206 233 Q C 2.016 177.965 176.000 -0.085 0.000 0.980 233 Q CA 2.050 57.806 55.803 -0.078 0.000 0.869 233 Q CB -0.467 28.233 28.738 -0.062 0.000 0.912 233 Q HN 0.618 nan 8.270 nan 0.000 0.436 234 S N -0.843 114.775 115.700 -0.137 0.000 2.453 234 S HA 0.042 4.538 4.470 0.043 0.000 0.231 234 S C 1.641 176.202 174.600 -0.064 0.000 1.005 234 S CA 0.607 58.708 58.200 -0.165 0.000 0.949 234 S CB -0.011 62.921 63.200 -0.447 0.000 0.774 234 S HN 0.564 nan 8.310 nan 0.000 0.510 235 G N 0.371 109.136 108.800 -0.059 0.000 2.159 235 G HA2 -0.236 3.750 3.960 0.043 0.000 0.256 235 G HA3 -0.236 3.750 3.960 0.043 0.000 0.256 235 G C -0.093 174.886 174.900 0.133 0.000 0.977 235 G CA 0.511 45.628 45.100 0.029 0.000 0.652 235 G HN 1.288 nan 8.290 nan 0.000 0.531 236 Y N -1.975 118.320 120.300 -0.008 0.000 2.638 236 Y HA 0.779 5.355 4.550 0.043 0.000 0.335 236 Y C -0.913 175.004 175.900 0.029 0.000 1.155 236 Y CA -2.387 55.724 58.100 0.019 0.000 1.046 236 Y CB 1.076 39.549 38.460 0.021 0.000 1.303 236 Y HN 0.160 nan 8.280 nan 0.000 0.460 237 I N 2.692 123.418 120.570 0.260 0.000 2.439 237 I HA 0.761 4.957 4.170 0.043 0.000 0.283 237 I C -0.735 175.539 176.117 0.262 0.000 1.023 237 I CA -0.940 60.460 61.300 0.167 0.000 1.100 237 I CB 1.690 39.814 38.000 0.206 0.000 1.238 237 I HN 0.898 nan 8.210 nan 0.000 0.445 238 A N 5.121 128.086 122.820 0.241 0.000 2.365 238 A HA 0.850 5.196 4.320 0.043 0.000 0.318 238 A C -1.031 176.640 177.584 0.144 0.000 1.091 238 A CA -0.583 51.598 52.037 0.239 0.000 0.763 238 A CB 1.705 20.877 19.000 0.288 0.000 1.248 238 A HN 0.716 nan 8.150 nan 0.000 0.442 239 N N 0.143 118.942 118.700 0.165 0.000 2.367 239 N HA 0.514 5.280 4.740 0.043 0.000 0.278 239 N C -1.685 174.013 175.510 0.314 0.000 1.117 239 N CA -0.199 52.980 53.050 0.214 0.000 0.867 239 N CB 1.443 40.105 38.487 0.293 0.000 1.649 239 N HN 0.641 nan 8.380 nan 0.000 0.479 240 W N 3.868 125.254 121.300 0.143 0.000 1.023 240 W HA 0.492 5.173 4.660 0.034 0.000 0.305 240 W C -0.112 176.517 176.519 0.184 0.000 0.850 240 W CA -0.260 57.176 57.345 0.152 0.000 1.790 240 W CB -0.599 28.924 29.460 0.106 0.000 1.654 240 W HN 0.903 nan 8.180 nan 0.000 0.495 241 A N 1.731 124.862 122.820 0.518 0.000 2.945 241 A HA -0.291 4.054 4.320 0.043 0.000 0.251 241 A C 0.630 178.534 177.584 0.533 0.000 1.355 241 A CA 1.595 53.965 52.037 0.555 0.000 0.905 241 A CB -2.309 16.978 19.000 0.479 0.000 1.104 241 A HN 0.640 nan 8.150 nan 0.000 0.733 242 N N -0.017 118.832 118.700 0.248 0.000 2.448 242 N HA 0.482 5.247 4.740 0.043 0.000 0.274 242 N C 0.288 175.271 175.510 -0.878 0.000 1.239 242 N CA 0.250 53.197 53.050 -0.172 0.000 0.982 242 N CB 0.781 39.198 38.487 -0.116 0.000 1.199 242 N HN 0.613 nan 8.380 nan 0.000 0.576 243 S N -0.505 114.218 115.700 -1.629 0.000 2.560 243 S HA 0.118 4.614 4.470 0.043 0.000 0.284 243 S C -1.483 172.681 174.600 -0.727 0.000 1.327 243 S CA -1.018 56.124 58.200 -1.764 0.000 1.055 243 S CB 0.201 62.866 63.200 -0.890 0.000 0.868 243 S HN 0.426 nan 8.310 nan 0.000 0.506 244 P HA 0.012 nan 4.420 nan 0.000 0.217 244 P C -0.127 177.084 177.300 -0.148 0.000 1.151 244 P CA 0.834 63.797 63.100 -0.229 0.000 0.828 244 P CB 0.155 31.585 31.700 -0.450 0.000 0.788 245 Q N -1.925 117.777 119.800 -0.163 0.000 2.545 245 Q HA 0.266 4.631 4.340 0.043 0.000 0.273 245 Q C -1.266 174.738 176.000 0.007 0.000 0.975 245 Q CA -0.966 54.798 55.803 -0.065 0.000 0.876 245 Q CB 1.198 29.885 28.738 -0.085 0.000 1.472 245 Q HN -0.339 nan 8.270 nan 0.000 0.389 246 K N 2.299 122.705 120.400 0.009 0.000 2.484 246 K HA -0.035 4.311 4.320 0.043 0.000 0.280 246 K C -0.613 176.029 176.600 0.070 0.000 1.013 246 K CA 1.587 57.895 56.287 0.035 0.000 1.029 246 K CB 0.214 32.726 32.500 0.019 0.000 0.902 246 K HN 0.654 nan 8.250 nan 0.000 0.481 247 D N 1.180 121.633 120.400 0.088 0.000 3.006 247 D HA -0.276 4.390 4.640 0.043 0.000 0.205 247 D C -0.847 175.523 176.300 0.116 0.000 1.075 247 D CA 0.951 55.004 54.000 0.088 0.000 1.000 247 D CB -1.704 39.131 40.800 0.059 0.000 1.097 247 D HN 0.598 nan 8.370 nan 0.000 0.426 248 Y N 2.354 122.677 120.300 0.037 0.000 2.316 248 Y HA 0.419 4.994 4.550 0.042 0.000 0.331 248 Y C -1.991 174.021 175.900 0.187 0.000 1.083 248 Y CA -1.626 56.501 58.100 0.044 0.000 1.206 248 Y CB 0.999 39.433 38.460 -0.045 0.000 1.195 248 Y HN -0.177 nan 8.280 nan 0.000 0.497 249 P HA 0.342 nan 4.420 nan 0.000 0.284 249 P C -1.116 176.086 177.300 -0.163 0.000 1.253 249 P CA -0.386 62.592 63.100 -0.204 0.000 0.800 249 P CB 1.470 33.020 31.700 -0.250 0.000 0.961 250 A N 2.626 125.356 122.820 -0.149 0.000 2.327 250 A HA 0.309 4.655 4.320 0.043 0.000 0.255 250 A C 0.785 178.168 177.584 -0.334 0.000 1.099 250 A CA -0.251 51.416 52.037 -0.617 0.000 0.801 250 A CB -0.392 18.088 19.000 -0.867 0.000 1.062 250 A HN 0.604 nan 8.150 nan 0.000 0.496 251 S N -0.764 114.697 115.700 -0.399 0.000 2.553 251 S HA -0.063 4.433 4.470 0.043 0.000 0.293 251 S C 0.871 175.361 174.600 -0.183 0.000 1.296 251 S CA 0.669 58.715 58.200 -0.257 0.000 1.046 251 S CB -0.013 62.923 63.200 -0.439 0.000 0.810 251 S HN 0.787 nan 8.310 nan 0.000 0.505 252 D N 3.088 123.433 120.400 -0.091 0.000 2.349 252 D HA 0.034 4.700 4.640 0.043 0.000 0.224 252 D C 0.441 176.707 176.300 -0.057 0.000 1.029 252 D CA 0.094 54.063 54.000 -0.052 0.000 0.879 252 D CB -0.481 40.310 40.800 -0.015 0.000 0.906 252 D HN 0.482 nan 8.370 nan 0.000 0.528 253 L N 1.398 122.556 121.223 -0.109 0.000 2.559 253 L HA -0.006 4.360 4.340 0.043 0.000 0.274 253 L C 1.230 177.997 176.870 -0.173 0.000 1.205 253 L CA -0.579 54.139 54.840 -0.203 0.000 0.907 253 L CB 0.133 42.076 42.059 -0.193 0.000 1.153 253 L HN 0.104 nan 8.230 nan 0.000 0.490 254 F N 1.870 121.744 119.950 -0.127 0.000 2.269 254 F HA -0.047 4.506 4.527 0.043 0.000 0.301 254 F C 1.752 177.483 175.800 -0.114 0.000 1.082 254 F CA 0.741 58.672 58.000 -0.116 0.000 1.360 254 F CB -0.600 38.302 39.000 -0.163 0.000 1.041 254 F HN 0.403 nan 8.300 nan 0.000 0.512 255 A N -0.836 121.785 122.820 -0.332 0.000 2.411 255 A HA 0.286 4.632 4.320 0.043 0.000 0.251 255 A C -0.372 177.200 177.584 -0.020 0.000 1.317 255 A CA -0.227 51.766 52.037 -0.074 0.000 0.904 255 A CB -1.206 17.720 19.000 -0.123 0.000 0.993 255 A HN 0.379 nan 8.150 nan 0.000 0.504 256 F N 0.088 119.929 119.950 -0.183 0.000 2.477 256 F HA 0.702 5.253 4.527 0.040 0.000 0.335 256 F C -0.965 174.687 175.800 -0.247 0.000 1.130 256 F CA -1.126 56.722 58.000 -0.253 0.000 0.948 256 F CB 1.154 39.951 39.000 -0.338 0.000 1.154 256 F HN -0.028 nan 8.300 nan 0.000 0.439 257 L N 4.731 125.660 121.223 -0.490 0.000 2.434 257 L HA 0.417 4.783 4.340 0.043 0.000 0.260 257 L C -1.583 175.118 176.870 -0.282 0.000 0.983 257 L CA -0.787 53.899 54.840 -0.258 0.000 0.820 257 L CB 2.371 44.396 42.059 -0.057 0.000 1.361 257 L HN 0.520 nan 8.230 nan 0.000 0.410 258 W N 2.140 123.416 121.300 -0.039 0.000 2.296 258 W HA 0.683 5.367 4.660 0.040 0.000 0.316 258 W C 0.253 176.774 176.519 0.004 0.000 1.022 258 W CA -0.990 56.341 57.345 -0.023 0.000 1.324 258 W CB 1.314 30.818 29.460 0.074 0.000 1.227 258 W HN 0.537 nan 8.180 nan 0.000 0.409 259 G N 0.222 109.136 108.800 0.190 0.000 2.975 259 G HA2 0.460 4.446 3.960 0.043 0.000 0.291 259 G HA3 0.460 4.446 3.960 0.043 0.000 0.291 259 G C 0.709 175.667 174.900 0.097 0.000 1.334 259 G CA -0.126 45.058 45.100 0.139 0.000 0.843 259 G HN 0.381 nan 8.290 nan 0.000 0.548 260 G N -0.293 108.588 108.800 0.135 0.000 2.450 260 G HA2 0.277 4.263 3.960 0.043 0.000 0.220 260 G HA3 0.277 4.263 3.960 0.043 0.000 0.220 260 G C 0.938 175.801 174.900 -0.061 0.000 1.130 260 G CA 1.592 46.776 45.100 0.140 0.000 0.760 260 G HN 1.234 nan 8.290 nan 0.000 0.557 261 A N 0.410 123.098 122.820 -0.221 0.000 2.310 261 A HA 0.543 4.889 4.320 0.043 0.000 0.300 261 A C -0.748 176.693 177.584 -0.239 0.000 1.269 261 A CA -0.364 51.364 52.037 -0.516 0.000 0.909 261 A CB 0.409 19.034 19.000 -0.624 0.000 1.144 261 A HN 0.183 nan 8.150 nan 0.000 0.540 262 D N 2.095 122.364 120.400 -0.218 0.000 2.990 262 D HA 0.153 4.819 4.640 0.043 0.000 0.227 262 D C 1.070 177.277 176.300 -0.154 0.000 1.249 262 D CA -0.468 53.445 54.000 -0.144 0.000 0.891 262 D CB 1.338 42.096 40.800 -0.070 0.000 1.647 262 D HN 0.630 nan 8.370 nan 0.000 0.530 263 R N 2.059 122.435 120.500 -0.206 0.000 2.193 263 R HA -0.052 4.314 4.340 0.043 0.000 0.229 263 R C 1.531 177.846 176.300 0.025 0.000 1.110 263 R CA 0.676 56.636 56.100 -0.234 0.000 0.988 263 R CB -0.380 29.533 30.300 -0.644 0.000 0.871 263 R HN 0.217 nan 8.270 nan 0.000 0.458 264 V N 1.888 121.862 119.914 0.100 0.000 2.568 264 V HA -0.211 3.935 4.120 0.043 0.000 0.253 264 V C 1.553 177.711 176.094 0.107 0.000 1.072 264 V CA 2.402 64.834 62.300 0.220 0.000 1.084 264 V CB -0.438 31.488 31.823 0.172 0.000 0.676 264 V HN 0.522 nan 8.190 nan 0.000 0.469 265 T N -0.097 114.472 114.554 0.024 0.000 2.849 265 T HA -0.150 4.226 4.350 0.043 0.000 0.270 265 T C 1.709 176.389 174.700 -0.032 0.000 1.066 265 T CA 1.457 63.547 62.100 -0.017 0.000 1.130 265 T CB -0.237 68.596 68.868 -0.058 0.000 0.864 265 T HN 0.564 nan 8.240 nan 0.000 0.481 266 E N 0.838 121.037 120.200 -0.002 0.000 2.150 266 E HA -0.005 4.371 4.350 0.043 0.000 0.193 266 E C 2.174 178.708 176.600 -0.111 0.000 0.985 266 E CA 0.700 57.078 56.400 -0.035 0.000 0.814 266 E CB -0.282 29.447 29.700 0.049 0.000 0.752 266 E HN 0.546 nan 8.360 nan 0.000 0.466 267 I N 1.497 122.008 120.570 -0.099 0.000 2.233 267 I HA -0.220 3.976 4.170 0.043 0.000 0.243 267 I C 1.911 177.852 176.117 -0.294 0.000 1.093 267 I CA 0.948 62.063 61.300 -0.308 0.000 1.380 267 I CB -0.207 37.626 38.000 -0.277 0.000 1.067 267 I HN -0.081 nan 8.210 nan 0.000 0.413 268 D N 0.994 121.310 120.400 -0.139 0.000 2.123 268 D HA -0.183 4.483 4.640 0.043 0.000 0.196 268 D C 2.308 178.511 176.300 -0.163 0.000 0.992 268 D CA 1.257 55.193 54.000 -0.107 0.000 0.833 268 D CB -0.264 40.555 40.800 0.031 0.000 0.954 268 D HN 0.308 nan 8.370 nan 0.000 0.455 269 R N 0.095 120.507 120.500 -0.147 0.000 2.091 269 R HA -0.065 4.301 4.340 0.043 0.000 0.238 269 R C 2.596 178.777 176.300 -0.197 0.000 1.136 269 R CA 0.717 56.729 56.100 -0.147 0.000 0.959 269 R CB -0.305 29.915 30.300 -0.134 0.000 0.856 269 R HN 0.230 nan 8.270 nan 0.000 0.437 270 L N 0.362 121.425 121.223 -0.265 0.000 2.109 270 L HA -0.130 4.236 4.340 0.043 0.000 0.207 270 L C 2.244 178.912 176.870 -0.338 0.000 1.086 270 L CA 0.941 55.597 54.840 -0.307 0.000 0.760 270 L CB -0.266 41.559 42.059 -0.390 0.000 0.910 270 L HN 0.198 nan 8.230 nan 0.000 0.437 271 L N -0.708 120.258 121.223 -0.430 0.000 2.217 271 L HA -0.119 4.247 4.340 0.043 0.000 0.211 271 L C 2.022 178.681 176.870 -0.352 0.000 1.107 271 L CA 1.023 55.565 54.840 -0.497 0.000 0.783 271 L CB -0.322 41.204 42.059 -0.889 0.000 0.919 271 L HN 0.295 nan 8.230 nan 0.000 0.442 272 E N -0.480 119.566 120.200 -0.256 0.000 2.478 272 E HA -0.134 4.242 4.350 0.043 0.000 0.194 272 E C 1.853 178.388 176.600 -0.109 0.000 1.045 272 E CA -0.088 56.237 56.400 -0.126 0.000 0.868 272 E CB 0.232 29.899 29.700 -0.056 0.000 0.885 272 E HN 0.431 nan 8.360 nan 0.000 0.505 273 Q N 1.348 121.067 119.800 -0.135 0.000 2.096 273 Q HA -0.125 4.241 4.340 0.043 0.000 0.204 273 Q C 0.111 176.059 176.000 -0.088 0.000 0.982 273 Q CA 1.248 56.985 55.803 -0.111 0.000 0.850 273 Q CB 0.318 28.978 28.738 -0.131 0.000 0.901 273 Q HN 0.025 nan 8.270 nan 0.000 0.422 274 K N -0.956 119.389 120.400 -0.092 0.000 2.328 274 K HA 0.267 4.613 4.320 0.043 0.000 0.246 274 K C -2.214 174.350 176.600 -0.059 0.000 0.955 274 K CA -1.970 54.275 56.287 -0.070 0.000 0.817 274 K CB 1.688 34.145 32.500 -0.072 0.000 1.208 274 K HN -0.212 nan 8.250 nan 0.000 0.432 275 P HA -0.100 nan 4.420 nan 0.000 0.215 275 P C -0.426 176.860 177.300 -0.024 0.000 1.153 275 P CA 1.320 64.404 63.100 -0.027 0.000 0.853 275 P CB 0.354 32.043 31.700 -0.019 0.000 0.788 276 R N -1.762 118.721 120.500 -0.030 0.000 2.836 276 R HA 0.636 5.002 4.340 0.043 0.000 0.269 276 R C -1.206 175.072 176.300 -0.036 0.000 1.010 276 R CA -0.991 55.095 56.100 -0.023 0.000 0.930 276 R CB 1.388 31.682 30.300 -0.009 0.000 1.218 276 R HN -0.172 nan 8.270 nan 0.000 0.473 277 L N 0.725 121.933 121.223 -0.026 0.000 2.362 277 L HA 0.391 4.756 4.340 0.043 0.000 0.275 277 L C 0.423 177.292 176.870 -0.002 0.000 0.998 277 L CA -0.522 54.300 54.840 -0.028 0.000 0.820 277 L CB 2.036 44.074 42.059 -0.036 0.000 1.270 277 L HN 0.769 nan 8.230 nan 0.000 0.415 278 T N -0.735 113.815 114.554 -0.007 0.000 2.754 278 T HA 0.447 4.823 4.350 0.043 0.000 0.286 278 T C 1.364 176.074 174.700 0.016 0.000 0.997 278 T CA -0.036 62.065 62.100 0.002 0.000 0.982 278 T CB 1.121 69.981 68.868 -0.014 0.000 1.027 278 T HN 0.610 nan 8.240 nan 0.000 0.529 279 A N 0.757 123.584 122.820 0.012 0.000 1.908 279 A HA -0.114 4.232 4.320 0.043 0.000 0.218 279 A C 2.054 179.635 177.584 -0.005 0.000 1.181 279 A CA 1.866 53.910 52.037 0.011 0.000 0.627 279 A CB -1.149 17.833 19.000 -0.031 0.000 0.818 279 A HN 0.903 nan 8.150 nan 0.000 0.445 280 D N -0.509 119.859 120.400 -0.054 0.000 2.123 280 D HA -0.160 4.506 4.640 0.043 0.000 0.196 280 D C 2.205 178.519 176.300 0.024 0.000 0.992 280 D CA 1.598 55.569 54.000 -0.048 0.000 0.833 280 D CB -0.431 40.320 40.800 -0.081 0.000 0.954 280 D HN 0.643 nan 8.370 nan 0.000 0.455 281 Q N 0.101 119.900 119.800 -0.001 0.000 2.119 281 Q HA -0.037 4.328 4.340 0.043 0.000 0.201 281 Q C 2.200 178.202 176.000 0.004 0.000 0.972 281 Q CA 1.317 57.107 55.803 -0.022 0.000 0.847 281 Q CB -0.084 28.625 28.738 -0.047 0.000 0.903 281 Q HN 0.224 nan 8.270 nan 0.000 0.433 282 A N 0.762 123.627 122.820 0.076 0.000 1.902 282 A HA -0.197 4.148 4.320 0.043 0.000 0.217 282 A C 1.744 179.517 177.584 0.316 0.000 1.181 282 A CA 0.979 53.136 52.037 0.200 0.000 0.623 282 A CB -1.044 18.102 19.000 0.243 0.000 0.818 282 A HN 0.684 nan 8.150 nan 0.000 0.443 283 W N 1.180 122.501 121.300 0.035 0.000 2.358 283 W HA -0.157 4.531 4.660 0.047 0.000 0.303 283 W C 0.711 177.217 176.519 -0.022 0.000 1.208 283 W CA 1.913 59.256 57.345 -0.004 0.000 1.274 283 W CB -0.231 29.152 29.460 -0.128 0.000 1.138 283 W HN 0.394 nan 8.180 nan 0.000 0.515 284 D N 0.339 120.764 120.400 0.042 0.000 2.309 284 D HA -0.140 4.526 4.640 0.043 0.000 0.212 284 D C 2.206 178.354 176.300 -0.254 0.000 0.968 284 D CA 0.938 54.859 54.000 -0.132 0.000 0.882 284 D CB -0.380 40.358 40.800 -0.104 0.000 0.918 284 D HN 0.044 nan 8.370 nan 0.000 0.503 285 V N 0.965 120.738 119.914 -0.234 0.000 2.594 285 V HA -0.220 3.925 4.120 0.043 0.000 0.253 285 V C 2.385 178.270 176.094 -0.349 0.000 1.069 285 V CA 0.910 62.956 62.300 -0.424 0.000 1.082 285 V CB -0.326 30.992 31.823 -0.841 0.000 0.680 285 V HN 0.225 nan 8.190 nan 0.000 0.469 286 I N -0.122 120.334 120.570 -0.190 0.000 2.142 286 I HA -0.282 3.914 4.170 0.043 0.000 0.240 286 I C 2.736 178.655 176.117 -0.330 0.000 1.078 286 I CA 2.053 63.221 61.300 -0.219 0.000 1.343 286 I CB -0.530 37.193 38.000 -0.463 0.000 1.046 286 I HN 0.207 nan 8.210 nan 0.000 0.405 287 R N 0.623 120.746 120.500 -0.629 0.000 2.096 287 R HA -0.229 4.137 4.340 0.043 0.000 0.240 287 R C 2.421 178.445 176.300 -0.458 0.000 1.139 287 R CA 1.674 57.189 56.100 -0.974 0.000 0.952 287 R CB -0.088 29.509 30.300 -1.170 0.000 0.854 287 R HN 0.345 nan 8.270 nan 0.000 0.436 288 Q N -0.247 119.336 119.800 -0.362 0.000 2.046 288 Q HA -0.105 4.261 4.340 0.043 0.000 0.200 288 Q C 2.240 178.130 176.000 -0.184 0.000 0.975 288 Q CA 2.275 57.927 55.803 -0.252 0.000 0.836 288 Q CB -0.657 27.926 28.738 -0.258 0.000 0.896 288 Q HN 0.596 nan 8.270 nan 0.000 0.428 289 T N -1.672 112.758 114.554 -0.207 0.000 2.867 289 T HA -0.039 4.337 4.350 0.043 0.000 0.268 289 T C 2.155 176.890 174.700 0.058 0.000 1.057 289 T CA 1.356 63.400 62.100 -0.094 0.000 1.136 289 T CB -0.253 68.453 68.868 -0.270 0.000 0.874 289 T HN 0.019 nan 8.240 nan 0.000 0.466 290 S N 1.606 117.313 115.700 0.011 0.000 2.374 290 S HA -0.070 4.425 4.470 0.043 0.000 0.227 290 S C 2.067 176.742 174.600 0.125 0.000 1.037 290 S CA 1.241 59.498 58.200 0.095 0.000 1.024 290 S CB -0.246 63.030 63.200 0.126 0.000 0.861 290 S HN 0.587 nan 8.310 nan 0.000 0.456 291 R N 0.069 120.603 120.500 0.057 0.000 2.362 291 R HA 0.219 4.585 4.340 0.043 0.000 0.227 291 R C 0.226 176.514 176.300 -0.020 0.000 0.905 291 R CA -0.100 56.028 56.100 0.046 0.000 1.067 291 R CB 0.238 30.547 30.300 0.014 0.000 1.078 291 R HN 0.172 nan 8.270 nan 0.000 0.516 292 Q N 2.094 121.887 119.800 -0.011 0.000 2.307 292 Q HA -0.006 4.360 4.340 0.043 0.000 0.259 292 Q C -0.756 175.209 176.000 -0.058 0.000 0.998 292 Q CA 0.021 55.776 55.803 -0.080 0.000 0.923 292 Q CB 0.743 29.447 28.738 -0.057 0.000 1.196 292 Q HN 0.001 nan 8.270 nan 0.000 0.416 293 D N 4.214 124.534 120.400 -0.133 0.000 2.450 293 D HA -0.044 4.622 4.640 0.043 0.000 0.247 293 D C 0.224 176.486 176.300 -0.063 0.000 1.162 293 D CA 0.217 54.197 54.000 -0.034 0.000 0.879 293 D CB 0.858 41.665 40.800 0.011 0.000 1.163 293 D HN 0.755 nan 8.370 nan 0.000 0.472 294 L N 3.574 124.773 121.223 -0.039 0.000 2.509 294 L HA 0.038 4.404 4.340 0.043 0.000 0.222 294 L C 1.821 178.666 176.870 -0.041 0.000 1.123 294 L CA 0.039 54.827 54.840 -0.087 0.000 0.856 294 L CB -0.151 41.810 42.059 -0.162 0.000 0.985 294 L HN 0.376 nan 8.230 nan 0.000 0.456 295 N N -0.148 118.605 118.700 0.089 0.000 2.388 295 N HA -0.012 4.754 4.740 0.043 0.000 0.176 295 N C 1.783 177.425 175.510 0.220 0.000 1.062 295 N CA 0.325 53.518 53.050 0.239 0.000 0.895 295 N CB 0.492 39.273 38.487 0.491 0.000 1.018 295 N HN 0.174 nan 8.380 nan 0.000 0.456 296 L N 2.346 123.643 121.223 0.122 0.000 1.989 296 L HA -0.127 4.239 4.340 0.043 0.000 0.211 296 L C 2.500 179.369 176.870 -0.001 0.000 1.071 296 L CA 1.716 56.598 54.840 0.070 0.000 0.749 296 L CB -0.419 41.599 42.059 -0.068 0.000 0.890 296 L HN 0.016 nan 8.230 nan 0.000 0.431 297 R N -0.704 119.750 120.500 -0.078 0.000 2.105 297 R HA -0.158 4.208 4.340 0.043 0.000 0.239 297 R C 2.224 178.455 176.300 -0.114 0.000 1.135 297 R CA 1.825 57.865 56.100 -0.100 0.000 0.967 297 R CB -0.348 29.873 30.300 -0.131 0.000 0.861 297 R HN 0.489 nan 8.270 nan 0.000 0.442 298 L N -0.706 120.386 121.223 -0.217 0.000 2.056 298 L HA -0.089 4.277 4.340 0.043 0.000 0.207 298 L C 1.556 178.197 176.870 -0.383 0.000 1.078 298 L CA 1.150 55.727 54.840 -0.439 0.000 0.749 298 L CB -0.193 41.302 42.059 -0.941 0.000 0.901 298 L HN 0.175 nan 8.230 nan 0.000 0.433 299 F N -1.993 118.056 119.950 0.165 0.000 2.724 299 F HA 0.092 4.643 4.527 0.040 0.000 0.306 299 F C 1.779 177.571 175.800 -0.013 0.000 1.100 299 F CA -0.304 57.783 58.000 0.146 0.000 1.255 299 F CB -0.206 38.928 39.000 0.224 0.000 1.072 299 F HN -0.149 nan 8.300 nan 0.000 0.589 300 L N 2.166 123.445 121.223 0.094 0.000 2.013 300 L HA -0.089 4.277 4.340 0.043 0.000 0.212 300 L C -0.733 176.144 176.870 0.011 0.000 1.073 300 L CA 2.417 57.267 54.840 0.016 0.000 0.753 300 L CB -1.695 40.370 42.059 0.009 0.000 0.890 300 L HN -0.094 nan 8.230 nan 0.000 0.432 301 P HA -0.123 nan 4.420 nan 0.000 0.215 301 P C 1.656 178.977 177.300 0.035 0.000 1.157 301 P CA 1.949 65.062 63.100 0.023 0.000 0.868 301 P CB -0.204 31.509 31.700 0.023 0.000 0.788 302 T N -0.270 114.333 114.554 0.083 0.000 2.746 302 T HA -0.099 4.277 4.350 0.043 0.000 0.267 302 T C 1.741 176.476 174.700 0.058 0.000 1.039 302 T CA 1.110 63.277 62.100 0.113 0.000 1.142 302 T CB -0.912 68.119 68.868 0.272 0.000 0.866 302 T HN 0.048 nan 8.240 nan 0.000 0.444 303 L N 0.511 121.717 121.223 -0.028 0.000 2.093 303 L HA -0.116 4.250 4.340 0.043 0.000 0.208 303 L C 2.846 179.678 176.870 -0.063 0.000 1.085 303 L CA 1.322 56.087 54.840 -0.126 0.000 0.755 303 L CB -0.496 41.387 42.059 -0.293 0.000 0.904 303 L HN 0.288 nan 8.230 nan 0.000 0.435 304 Q N -0.418 119.359 119.800 -0.040 0.000 2.079 304 Q HA -0.140 4.226 4.340 0.043 0.000 0.200 304 Q C 2.463 178.454 176.000 -0.016 0.000 0.974 304 Q CA 1.489 57.276 55.803 -0.028 0.000 0.840 304 Q CB -0.246 28.480 28.738 -0.021 0.000 0.898 304 Q HN 0.546 nan 8.270 nan 0.000 0.430 305 A N 1.025 123.842 122.820 -0.005 0.000 1.898 305 A HA -0.094 4.252 4.320 0.043 0.000 0.216 305 A C 2.271 179.857 177.584 0.002 0.000 1.181 305 A CA 1.520 53.556 52.037 -0.002 0.000 0.620 305 A CB -0.757 18.244 19.000 0.002 0.000 0.819 305 A HN 0.387 nan 8.150 nan 0.000 0.442 306 A N -0.423 122.406 122.820 0.014 0.000 1.969 306 A HA -0.047 4.299 4.320 0.043 0.000 0.218 306 A C 2.209 179.802 177.584 0.014 0.000 1.169 306 A CA 2.225 54.279 52.037 0.028 0.000 0.635 306 A CB -0.968 18.073 19.000 0.067 0.000 0.810 306 A HN 0.770 nan 8.150 nan 0.000 0.445 307 T N -4.131 110.421 114.554 -0.003 0.000 3.069 307 T HA 0.143 4.519 4.350 0.043 0.000 0.252 307 T C 1.651 176.339 174.700 -0.021 0.000 1.053 307 T CA 0.884 62.975 62.100 -0.015 0.000 0.964 307 T CB 0.120 68.969 68.868 -0.031 0.000 1.005 307 T HN 0.205 nan 8.240 nan 0.000 0.532 308 S N 1.601 117.291 115.700 -0.016 0.000 2.372 308 S HA -0.054 4.442 4.470 0.043 0.000 0.227 308 S C 2.159 176.748 174.600 -0.019 0.000 1.044 308 S CA 1.813 60.002 58.200 -0.018 0.000 1.050 308 S CB -1.033 62.158 63.200 -0.015 0.000 0.901 308 S HN 0.767 nan 8.310 nan 0.000 0.447 309 G N 0.472 109.262 108.800 -0.015 0.000 2.985 309 G HA2 0.272 4.258 3.960 0.043 0.000 0.209 309 G HA3 0.272 4.258 3.960 0.043 0.000 0.209 309 G C 0.340 175.228 174.900 -0.020 0.000 1.165 309 G CA -0.285 44.805 45.100 -0.016 0.000 0.776 309 G HN 0.432 nan 8.290 nan 0.000 0.541 310 L N 1.511 122.720 121.223 -0.024 0.000 2.453 310 L HA 0.297 4.663 4.340 0.043 0.000 0.261 310 L C 1.335 178.181 176.870 -0.039 0.000 1.179 310 L CA -0.642 54.179 54.840 -0.031 0.000 0.813 310 L CB 0.644 42.681 42.059 -0.038 0.000 1.110 310 L HN 0.106 nan 8.230 nan 0.000 0.466 311 T N -2.180 112.349 114.554 -0.042 0.000 2.860 311 T HA -0.014 4.362 4.350 0.043 0.000 0.299 311 T C 0.777 175.441 174.700 -0.060 0.000 1.045 311 T CA -0.508 61.565 62.100 -0.045 0.000 1.071 311 T CB 1.292 70.135 68.868 -0.042 0.000 0.985 311 T HN 0.662 nan 8.240 nan 0.000 0.537 312 Q N 0.917 120.683 119.800 -0.056 0.000 2.135 312 Q HA -0.162 4.204 4.340 0.043 0.000 0.204 312 Q C 2.079 178.028 176.000 -0.085 0.000 0.981 312 Q CA 2.303 58.068 55.803 -0.065 0.000 0.856 312 Q CB -0.596 28.110 28.738 -0.053 0.000 0.902 312 Q HN 0.937 nan 8.270 nan 0.000 0.425 313 S N -0.284 115.366 115.700 -0.084 0.000 2.603 313 S HA -0.000 4.496 4.470 0.043 0.000 0.220 313 S C 0.445 174.956 174.600 -0.148 0.000 0.967 313 S CA -0.159 57.978 58.200 -0.104 0.000 0.920 313 S CB 0.090 63.245 63.200 -0.075 0.000 0.773 313 S HN 0.215 nan 8.310 nan 0.000 0.529 314 D N 3.342 123.657 120.400 -0.142 0.000 2.343 314 D HA 0.175 4.841 4.640 0.043 0.000 0.255 314 D C -1.433 174.705 176.300 -0.269 0.000 1.187 314 D CA -1.942 51.954 54.000 -0.174 0.000 0.875 314 D CB 1.707 42.439 40.800 -0.114 0.000 1.136 314 D HN 0.076 nan 8.370 nan 0.000 0.469 315 P HA -0.096 nan 4.420 nan 0.000 0.220 315 P C 1.093 178.151 177.300 -0.403 0.000 1.148 315 P CA 0.793 63.459 63.100 -0.723 0.000 0.803 315 P CB 0.443 31.184 31.700 -1.597 0.000 0.782 316 R N -0.138 120.232 120.500 -0.217 0.000 2.092 316 R HA -0.047 4.319 4.340 0.043 0.000 0.231 316 R C 2.709 178.965 176.300 -0.074 0.000 1.119 316 R CA 1.108 57.169 56.100 -0.066 0.000 0.970 316 R CB -0.530 29.764 30.300 -0.009 0.000 0.864 316 R HN 0.134 nan 8.270 nan 0.000 0.440 317 R N 1.188 121.625 120.500 -0.104 0.000 2.073 317 R HA -0.132 4.234 4.340 0.043 0.000 0.229 317 R C 1.972 178.208 176.300 -0.106 0.000 1.120 317 R CA 1.528 57.574 56.100 -0.090 0.000 0.967 317 R CB 0.053 30.301 30.300 -0.086 0.000 0.862 317 R HN 0.278 nan 8.270 nan 0.000 0.436 318 Q N 0.260 119.968 119.800 -0.152 0.000 2.167 318 Q HA -0.112 4.254 4.340 0.043 0.000 0.202 318 Q C 2.203 178.129 176.000 -0.123 0.000 0.970 318 Q CA 1.269 56.978 55.803 -0.156 0.000 0.855 318 Q CB 0.005 28.610 28.738 -0.222 0.000 0.911 318 Q HN 0.383 nan 8.270 nan 0.000 0.438 319 L N -0.240 120.931 121.223 -0.086 0.000 2.056 319 L HA -0.170 4.196 4.340 0.043 0.000 0.207 319 L C 2.242 179.087 176.870 -0.042 0.000 1.078 319 L CA 0.772 55.601 54.840 -0.017 0.000 0.749 319 L CB -0.354 41.756 42.059 0.085 0.000 0.901 319 L HN 0.111 nan 8.230 nan 0.000 0.433 320 V N -0.371 119.507 119.914 -0.059 0.000 2.427 320 V HA -0.222 3.924 4.120 0.043 0.000 0.248 320 V C 2.255 178.322 176.094 -0.045 0.000 1.051 320 V CA 1.566 63.828 62.300 -0.064 0.000 1.048 320 V CB -0.513 31.262 31.823 -0.080 0.000 0.666 320 V HN 0.464 nan 8.190 nan 0.000 0.456 321 E N 0.037 120.204 120.200 -0.055 0.000 2.204 321 E HA -0.151 4.225 4.350 0.043 0.000 0.194 321 E C 2.254 178.830 176.600 -0.040 0.000 0.989 321 E CA 1.540 57.912 56.400 -0.046 0.000 0.824 321 E CB -0.257 29.408 29.700 -0.059 0.000 0.756 321 E HN 0.584 nan 8.360 nan 0.000 0.477 322 T N 1.798 116.315 114.554 -0.061 0.000 2.708 322 T HA -0.127 4.249 4.350 0.043 0.000 0.266 322 T C 1.978 176.676 174.700 -0.004 0.000 1.037 322 T CA 0.864 62.921 62.100 -0.072 0.000 1.146 322 T CB -0.162 68.627 68.868 -0.132 0.000 0.865 322 T HN 0.108 nan 8.240 nan 0.000 0.435 323 L N 0.646 121.890 121.223 0.035 0.000 2.093 323 L HA -0.090 4.276 4.340 0.043 0.000 0.208 323 L C 2.903 179.865 176.870 0.153 0.000 1.085 323 L CA 1.128 56.060 54.840 0.154 0.000 0.755 323 L CB -1.106 41.019 42.059 0.110 0.000 0.904 323 L HN 0.269 nan 8.230 nan 0.000 0.435 324 T N -0.544 114.048 114.554 0.063 0.000 2.833 324 T HA -0.161 4.215 4.350 0.043 0.000 0.269 324 T C 1.875 176.608 174.700 0.056 0.000 1.054 324 T CA 1.138 63.262 62.100 0.040 0.000 1.135 324 T CB -0.175 68.696 68.868 0.005 0.000 0.869 324 T HN 0.301 nan 8.240 nan 0.000 0.466 325 R N -0.941 119.602 120.500 0.071 0.000 2.323 325 R HA 0.073 4.439 4.340 0.043 0.000 0.198 325 R C 0.066 176.463 176.300 0.162 0.000 0.988 325 R CA 0.039 56.184 56.100 0.074 0.000 1.041 325 R CB 0.155 30.477 30.300 0.038 0.000 0.926 325 R HN 0.323 nan 8.270 nan 0.000 0.476 326 W N 1.845 123.117 121.300 -0.046 0.000 2.606 326 W HA 0.129 4.811 4.660 0.036 0.000 0.332 326 W C 0.083 176.573 176.519 -0.049 0.000 1.052 326 W CA -1.680 55.636 57.345 -0.048 0.000 1.223 326 W CB 1.154 30.586 29.460 -0.048 0.000 1.383 326 W HN 0.016 nan 8.180 nan 0.000 0.524 327 D N 1.575 121.774 120.400 -0.335 0.000 2.340 327 D HA 0.143 4.809 4.640 0.043 0.000 0.220 327 D C 1.578 177.360 176.300 -0.864 0.000 1.039 327 D CA 0.627 54.349 54.000 -0.465 0.000 0.866 327 D CB -0.171 40.466 40.800 -0.272 0.000 0.913 327 D HN 0.800 nan 8.370 nan 0.000 0.523 328 G N 0.113 107.727 108.800 -1.978 0.000 2.176 328 G HA2 -0.234 3.752 3.960 0.043 0.000 0.253 328 G HA3 -0.234 3.752 3.960 0.043 0.000 0.253 328 G C 0.001 174.226 174.900 -1.125 0.000 0.979 328 G CA 0.141 43.980 45.100 -2.102 0.000 0.641 328 G HN 0.346 nan 8.290 nan 0.000 0.530 329 I N 1.627 121.803 120.570 -0.658 0.000 2.352 329 I HA 0.249 4.445 4.170 0.043 0.000 0.290 329 I C 0.042 176.203 176.117 0.073 0.000 1.036 329 I CA -0.828 60.348 61.300 -0.206 0.000 1.336 329 I CB 0.716 38.634 38.000 -0.138 0.000 1.407 329 I HN 0.019 nan 8.210 nan 0.000 0.497 330 N N 7.550 126.233 118.700 -0.029 0.000 2.499 330 N HA 0.527 5.293 4.740 0.043 0.000 0.281 330 N C -0.676 174.813 175.510 -0.035 0.000 1.098 330 N CA -0.268 52.655 53.050 -0.211 0.000 0.979 330 N CB 1.969 39.852 38.487 -1.007 0.000 1.121 330 N HN 0.424 nan 8.380 nan 0.000 0.466 331 L N 2.055 123.336 121.223 0.097 0.000 2.401 331 L HA 0.472 4.838 4.340 0.043 0.000 0.266 331 L C -0.099 177.006 176.870 0.392 0.000 0.991 331 L CA -0.817 54.163 54.840 0.233 0.000 0.818 331 L CB 2.162 44.316 42.059 0.157 0.000 1.321 331 L HN 0.214 nan 8.230 nan 0.000 0.413 332 L N 2.554 123.993 121.223 0.360 0.000 2.426 332 L HA 0.192 4.558 4.340 0.043 0.000 0.271 332 L C 0.584 177.559 176.870 0.175 0.000 1.169 332 L CA -0.281 54.726 54.840 0.278 0.000 0.836 332 L CB 0.291 42.452 42.059 0.171 0.000 1.112 332 L HN 0.619 nan 8.230 nan 0.000 0.465 333 N N 1.332 120.115 118.700 0.138 0.000 2.263 333 N HA -0.050 4.716 4.740 0.043 0.000 0.239 333 N C 0.549 176.100 175.510 0.067 0.000 1.317 333 N CA -0.256 52.847 53.050 0.088 0.000 0.909 333 N CB 0.453 38.979 38.487 0.065 0.000 1.171 333 N HN 0.507 nan 8.380 nan 0.000 0.492 334 D N -0.039 120.391 120.400 0.051 0.000 2.263 334 D HA -0.148 4.518 4.640 0.043 0.000 0.208 334 D C 0.902 177.221 176.300 0.032 0.000 0.971 334 D CA 0.881 54.905 54.000 0.041 0.000 0.867 334 D CB -0.207 40.613 40.800 0.033 0.000 0.929 334 D HN 0.596 nan 8.370 nan 0.000 0.492 335 D N -0.168 120.248 120.400 0.026 0.000 2.348 335 D HA -0.016 4.650 4.640 0.043 0.000 0.216 335 D C 1.605 177.910 176.300 0.008 0.000 0.970 335 D CA 0.966 54.974 54.000 0.014 0.000 0.889 335 D CB -0.575 40.231 40.800 0.009 0.000 0.912 335 D HN 0.177 nan 8.370 nan 0.000 0.524 336 G N 1.166 109.976 108.800 0.016 0.000 2.153 336 G HA2 -0.369 3.616 3.960 0.043 0.000 0.252 336 G HA3 -0.369 3.616 3.960 0.043 0.000 0.252 336 G C 0.735 175.622 174.900 -0.022 0.000 0.994 336 G CA 0.866 45.973 45.100 0.011 0.000 0.698 336 G HN 0.687 nan 8.290 nan 0.000 0.521 337 K N -1.541 118.831 120.400 -0.047 0.000 2.603 337 K HA 0.210 4.556 4.320 0.043 0.000 0.216 337 K C 0.530 177.029 176.600 -0.168 0.000 1.562 337 K CA 0.699 56.922 56.287 -0.106 0.000 1.012 337 K CB 0.316 32.764 32.500 -0.085 0.000 1.280 337 K HN 0.710 nan 8.250 nan 0.000 0.620 338 T N -1.856 112.637 114.554 -0.102 0.000 2.932 338 T HA 0.475 4.851 4.350 0.043 0.000 0.289 338 T C -0.763 173.937 174.700 0.001 0.000 1.039 338 T CA -0.738 61.306 62.100 -0.094 0.000 1.024 338 T CB 1.273 70.133 68.868 -0.014 0.000 1.090 338 T HN 0.146 nan 8.240 nan 0.000 0.496 339 W N 1.421 122.729 121.300 0.015 0.000 2.313 339 W HA 0.344 5.026 4.660 0.036 0.000 0.328 339 W C 1.594 178.099 176.519 -0.024 0.000 1.197 339 W CA -1.052 56.302 57.345 0.016 0.000 1.235 339 W CB 0.743 30.220 29.460 0.027 0.000 1.158 339 W HN 0.926 nan 8.180 nan 0.000 0.578 340 Q N 0.628 120.569 119.800 0.234 0.000 2.124 340 Q HA -0.159 4.207 4.340 0.043 0.000 0.202 340 Q C 0.476 176.460 176.000 -0.026 0.000 0.977 340 Q CA 1.162 57.016 55.803 0.084 0.000 0.850 340 Q CB 0.246 29.032 28.738 0.079 0.000 0.901 340 Q HN 0.326 nan 8.270 nan 0.000 0.429 341 Q N -0.420 119.302 119.800 -0.131 0.000 2.348 341 Q HA 0.222 4.588 4.340 0.043 0.000 0.271 341 Q C -2.035 173.746 176.000 -0.365 0.000 1.067 341 Q CA -1.845 53.727 55.803 -0.386 0.000 0.839 341 Q CB 1.520 29.705 28.738 -0.922 0.000 1.354 341 Q HN 0.015 nan 8.270 nan 0.000 0.447 342 P HA 0.072 nan 4.420 nan 0.000 0.262 342 P C 0.870 178.036 177.300 -0.223 0.000 1.304 342 P CA 0.261 63.265 63.100 -0.159 0.000 0.859 342 P CB 0.281 31.998 31.700 0.029 0.000 1.310 343 G N 1.035 109.469 108.800 -0.610 0.000 2.442 343 G HA2 -0.240 3.746 3.960 0.043 0.000 0.219 343 G HA3 -0.240 3.746 3.960 0.043 0.000 0.219 343 G C 1.627 176.505 174.900 -0.036 0.000 1.141 343 G CA 0.731 45.568 45.100 -0.438 0.000 0.763 343 G HN 0.231 nan 8.290 nan 0.000 0.554 344 S N 0.896 116.590 115.700 -0.011 0.000 2.383 344 S HA 0.038 4.534 4.470 0.043 0.000 0.227 344 S C 2.763 177.289 174.600 -0.123 0.000 1.026 344 S CA 1.073 59.334 58.200 0.100 0.000 0.981 344 S CB -0.284 63.040 63.200 0.206 0.000 0.818 344 S HN 0.593 nan 8.310 nan 0.000 0.472 345 A N 1.493 124.302 122.820 -0.018 0.000 1.898 345 A HA -0.019 4.327 4.320 0.043 0.000 0.216 345 A C 2.041 179.629 177.584 0.007 0.000 1.181 345 A CA 1.066 53.090 52.037 -0.022 0.000 0.620 345 A CB -0.666 18.365 19.000 0.053 0.000 0.819 345 A HN 0.472 nan 8.150 nan 0.000 0.442 346 I N -0.411 120.203 120.570 0.074 0.000 2.163 346 I HA -0.284 3.912 4.170 0.043 0.000 0.243 346 I C 2.406 178.616 176.117 0.155 0.000 1.085 346 I CA 1.309 62.697 61.300 0.146 0.000 1.347 346 I CB -0.364 37.721 38.000 0.142 0.000 1.044 346 I HN 0.288 nan 8.210 nan 0.000 0.408 347 L N 0.331 121.629 121.223 0.124 0.000 2.046 347 L HA -0.251 4.115 4.340 0.043 0.000 0.208 347 L C 2.375 179.344 176.870 0.166 0.000 1.077 347 L CA 1.724 56.697 54.840 0.221 0.000 0.747 347 L CB -0.814 41.424 42.059 0.299 0.000 0.896 347 L HN 0.405 nan 8.230 nan 0.000 0.432 348 N N -0.020 118.552 118.700 -0.214 0.000 2.058 348 N HA -0.180 4.586 4.740 0.043 0.000 0.191 348 N C 1.849 177.366 175.510 0.012 0.000 1.037 348 N CA 1.552 54.449 53.050 -0.255 0.000 0.848 348 N CB 0.126 38.266 38.487 -0.579 0.000 1.021 348 N HN 0.050 nan 8.380 nan 0.000 0.422 349 V N 0.019 119.955 119.914 0.037 0.000 2.343 349 V HA -0.203 3.943 4.120 0.043 0.000 0.247 349 V C 1.930 178.095 176.094 0.117 0.000 1.051 349 V CA 1.849 64.192 62.300 0.071 0.000 1.036 349 V CB -0.900 30.970 31.823 0.079 0.000 0.654 349 V HN 0.534 nan 8.190 nan 0.000 0.451 350 W N 0.407 121.717 121.300 0.017 0.000 2.355 350 W HA -0.156 4.528 4.660 0.040 0.000 0.309 350 W C 2.206 178.713 176.519 -0.020 0.000 1.206 350 W CA 1.652 59.008 57.345 0.019 0.000 1.284 350 W CB -0.346 29.138 29.460 0.040 0.000 1.145 350 W HN 0.118 nan 8.180 nan 0.000 0.502 351 L N -0.065 121.161 121.223 0.006 0.000 2.012 351 L HA -0.281 4.085 4.340 0.043 0.000 0.210 351 L C 2.489 179.210 176.870 -0.247 0.000 1.073 351 L CA 2.033 56.716 54.840 -0.261 0.000 0.748 351 L CB -1.246 40.837 42.059 0.040 0.000 0.891 351 L HN -0.035 nan 8.230 nan 0.000 0.431 352 T N -1.451 113.048 114.554 -0.091 0.000 2.665 352 T HA -0.252 4.124 4.350 0.043 0.000 0.268 352 T C 2.109 176.727 174.700 -0.138 0.000 1.035 352 T CA 1.867 63.924 62.100 -0.072 0.000 1.151 352 T CB -0.250 68.607 68.868 -0.018 0.000 0.862 352 T HN 0.323 nan 8.240 nan 0.000 0.438 353 S N 0.312 115.906 115.700 -0.177 0.000 2.368 353 S HA -0.087 4.409 4.470 0.043 0.000 0.224 353 S C 2.162 176.588 174.600 -0.291 0.000 1.029 353 S CA 0.906 58.991 58.200 -0.192 0.000 0.988 353 S CB -0.345 62.765 63.200 -0.150 0.000 0.838 353 S HN 0.200 nan 8.310 nan 0.000 0.462 354 M N 1.064 120.356 119.600 -0.513 0.000 2.080 354 M HA -0.033 4.473 4.480 0.043 0.000 0.260 354 M C 2.180 178.262 176.300 -0.363 0.000 1.068 354 M CA 1.377 56.344 55.300 -0.555 0.000 1.109 354 M CB -1.555 30.471 32.600 -0.957 0.000 1.342 354 M HN 0.375 nan 8.290 nan 0.000 0.405 355 L N -0.476 120.575 121.223 -0.286 0.000 2.056 355 L HA -0.223 4.143 4.340 0.043 0.000 0.207 355 L C 2.566 179.359 176.870 -0.128 0.000 1.078 355 L CA 1.209 55.950 54.840 -0.165 0.000 0.749 355 L CB -0.730 41.283 42.059 -0.078 0.000 0.901 355 L HN 0.322 nan 8.230 nan 0.000 0.433 356 K N 0.611 120.939 120.400 -0.120 0.000 2.063 356 K HA -0.196 4.150 4.320 0.043 0.000 0.208 356 K C 2.201 178.737 176.600 -0.108 0.000 1.048 356 K CA 1.502 57.736 56.287 -0.088 0.000 0.928 356 K CB 0.028 32.481 32.500 -0.078 0.000 0.713 356 K HN 0.206 nan 8.250 nan 0.000 0.442 357 R N -0.335 120.074 120.500 -0.151 0.000 2.236 357 R HA -0.025 4.341 4.340 0.043 0.000 0.208 357 R C 1.724 177.894 176.300 -0.218 0.000 1.036 357 R CA 1.417 57.422 56.100 -0.158 0.000 1.001 357 R CB 0.200 30.402 30.300 -0.164 0.000 0.896 357 R HN 0.483 nan 8.270 nan 0.000 0.464 358 T N -2.979 111.416 114.554 -0.264 0.000 3.257 358 T HA 0.020 4.396 4.350 0.043 0.000 0.176 358 T C 1.844 176.410 174.700 -0.223 0.000 0.892 358 T CA 0.334 62.224 62.100 -0.349 0.000 1.147 358 T CB -0.841 67.684 68.868 -0.571 0.000 1.840 358 T HN -0.079 nan 8.240 nan 0.000 0.375 359 V N 1.539 121.343 119.914 -0.183 0.000 2.287 359 V HA -0.096 4.050 4.120 0.043 0.000 0.248 359 V C 2.586 178.623 176.094 -0.096 0.000 1.053 359 V CA 1.811 64.027 62.300 -0.140 0.000 1.027 359 V CB -1.761 30.005 31.823 -0.095 0.000 0.646 359 V HN 0.422 nan 8.190 nan 0.000 0.447 360 V N 1.299 121.194 119.914 -0.031 0.000 2.287 360 V HA -0.242 3.904 4.120 0.043 0.000 0.248 360 V C 3.109 179.196 176.094 -0.012 0.000 1.053 360 V CA 2.478 64.791 62.300 0.022 0.000 1.027 360 V CB -1.437 30.398 31.823 0.021 0.000 0.646 360 V HN 0.698 nan 8.190 nan 0.000 0.447 361 A N -0.452 122.337 122.820 -0.052 0.000 2.067 361 A HA 0.033 4.379 4.320 0.043 0.000 0.219 361 A C 2.250 179.804 177.584 -0.050 0.000 1.158 361 A CA 1.702 53.709 52.037 -0.049 0.000 0.661 361 A CB -0.474 18.485 19.000 -0.069 0.000 0.801 361 A HN 0.590 nan 8.150 nan 0.000 0.452 362 A N -0.950 121.825 122.820 -0.074 0.000 2.132 362 A HA 0.428 4.774 4.320 0.043 0.000 0.213 362 A C 0.709 178.250 177.584 -0.070 0.000 1.154 362 A CA 0.461 52.451 52.037 -0.078 0.000 0.753 362 A CB -0.068 18.866 19.000 -0.110 0.000 0.826 362 A HN 0.252 nan 8.150 nan 0.000 0.469 363 V N 1.997 121.879 119.914 -0.052 0.000 2.483 363 V HA 0.325 4.471 4.120 0.043 0.000 0.295 363 V C -2.438 173.697 176.094 0.069 0.000 1.035 363 V CA -1.983 60.308 62.300 -0.015 0.000 0.896 363 V CB 1.447 33.264 31.823 -0.010 0.000 0.986 363 V HN 0.184 nan 8.190 nan 0.000 0.447 364 P HA 0.213 nan 4.420 nan 0.000 0.269 364 P C -0.369 177.088 177.300 0.262 0.000 1.215 364 P CA -0.190 63.005 63.100 0.159 0.000 0.780 364 P CB 0.418 32.218 31.700 0.166 0.000 0.898 365 M N 3.613 123.300 119.600 0.145 0.000 2.242 365 M HA 0.181 4.687 4.480 0.043 0.000 0.344 365 M C -1.328 174.941 176.300 -0.051 0.000 1.140 365 M CA -1.233 54.097 55.300 0.051 0.000 1.160 365 M CB 0.533 33.137 32.600 0.007 0.000 1.491 365 M HN 0.275 nan 8.290 nan 0.000 0.459 366 P HA 0.124 nan 4.420 nan 0.000 0.261 366 P C 0.524 177.682 177.300 -0.236 0.000 1.352 366 P CA 0.373 63.305 63.100 -0.281 0.000 0.891 366 P CB -0.018 31.493 31.700 -0.314 0.000 1.383 367 F N 2.472 122.452 119.950 0.050 0.000 2.216 367 F HA -0.164 4.389 4.527 0.043 0.000 0.300 367 F C 2.229 178.132 175.800 0.172 0.000 1.085 367 F CA 1.552 59.584 58.000 0.054 0.000 1.326 367 F CB -1.232 37.775 39.000 0.010 0.000 1.027 367 F HN 0.032 nan 8.300 nan 0.000 0.497 368 D N 1.080 121.660 120.400 0.300 0.000 2.158 368 D HA -0.231 4.435 4.640 0.043 0.000 0.197 368 D C 1.579 178.019 176.300 0.234 0.000 0.995 368 D CA 1.424 55.588 54.000 0.272 0.000 0.846 368 D CB -0.714 40.172 40.800 0.143 0.000 0.941 368 D HN 0.284 nan 8.370 nan 0.000 0.456 369 K N -0.274 120.206 120.400 0.133 0.000 2.063 369 K HA -0.152 4.194 4.320 0.043 0.000 0.208 369 K C 2.169 178.792 176.600 0.039 0.000 1.048 369 K CA 1.385 57.696 56.287 0.040 0.000 0.928 369 K CB -0.445 32.027 32.500 -0.046 0.000 0.713 369 K HN 0.288 nan 8.250 nan 0.000 0.442 370 W N 0.175 121.410 121.300 -0.109 0.000 2.465 370 W HA -0.091 4.597 4.660 0.047 0.000 0.268 370 W C 1.346 177.717 176.519 -0.247 0.000 1.242 370 W CA 0.597 57.841 57.345 -0.168 0.000 1.248 370 W CB -0.306 29.050 29.460 -0.174 0.000 1.118 370 W HN 0.108 nan 8.180 nan 0.000 0.587 371 Y N -0.115 120.344 120.300 0.264 0.000 2.529 371 Y HA -0.047 4.531 4.550 0.047 0.000 0.290 371 Y C 2.387 178.337 175.900 0.084 0.000 1.177 371 Y CA 0.904 59.101 58.100 0.162 0.000 1.305 371 Y CB -0.858 37.666 38.460 0.107 0.000 1.047 371 Y HN -0.056 nan 8.280 nan 0.000 0.522 372 S N -0.699 115.083 115.700 0.136 0.000 2.501 372 S HA 0.287 4.783 4.470 0.043 0.000 0.220 372 S C 1.173 175.793 174.600 0.034 0.000 0.997 372 S CA -0.061 58.175 58.200 0.060 0.000 0.919 372 S CB -0.254 62.958 63.200 0.019 0.000 0.778 372 S HN 0.186 nan 8.310 nan 0.000 0.523 373 A N 2.090 124.931 122.820 0.035 0.000 2.440 373 A HA 0.546 4.892 4.320 0.043 0.000 0.251 373 A C 1.299 178.922 177.584 0.066 0.000 1.089 373 A CA 0.070 52.124 52.037 0.028 0.000 0.779 373 A CB 0.326 19.331 19.000 0.008 0.000 1.022 373 A HN 0.607 nan 8.150 nan 0.000 0.492 374 S N 1.638 117.395 115.700 0.094 0.000 2.501 374 S HA 0.370 4.865 4.470 0.043 0.000 0.220 374 S C 1.377 176.053 174.600 0.125 0.000 0.997 374 S CA 0.888 59.184 58.200 0.160 0.000 0.919 374 S CB 0.044 63.419 63.200 0.291 0.000 0.778 374 S HN 2.502 nan 8.310 nan 0.000 0.523 375 G N 0.186 109.012 108.800 0.042 0.000 2.213 375 G HA2 -0.271 3.715 3.960 0.043 0.000 0.226 375 G HA3 -0.271 3.715 3.960 0.043 0.000 0.226 375 G C 0.432 175.215 174.900 -0.195 0.000 0.992 375 G CA 0.290 45.325 45.100 -0.109 0.000 0.632 375 G HN 0.565 nan 8.290 nan 0.000 0.511 376 Y N 1.053 121.387 120.300 0.057 0.000 2.481 376 Y HA 0.419 4.990 4.550 0.036 0.000 0.258 376 Y C 1.288 177.206 175.900 0.030 0.000 1.103 376 Y CA 0.230 58.368 58.100 0.063 0.000 1.287 376 Y CB 0.336 38.856 38.460 0.101 0.000 1.108 376 Y HN 0.247 nan 8.280 nan 0.000 0.529 377 E N 0.961 121.244 120.200 0.138 0.000 2.529 377 E HA 0.156 4.532 4.350 0.043 0.000 0.259 377 E C 0.293 176.915 176.600 0.035 0.000 0.966 377 E CA 0.548 56.991 56.400 0.070 0.000 0.937 377 E CB 0.542 30.258 29.700 0.027 0.000 0.923 377 E HN 0.019 nan 8.360 nan 0.000 0.468 378 T N 0.990 115.557 114.554 0.023 0.000 2.792 378 T HA 0.461 4.836 4.350 0.043 0.000 0.303 378 T C -0.568 174.130 174.700 -0.002 0.000 1.310 378 T CA -0.556 61.545 62.100 0.000 0.000 1.007 378 T CB 1.498 70.352 68.868 -0.023 0.000 1.335 378 T HN 0.417 nan 8.240 nan 0.000 0.504 379 T N 0.276 114.830 114.554 -0.000 0.000 2.849 379 T HA 0.322 4.698 4.350 0.043 0.000 0.276 379 T C 1.058 175.756 174.700 -0.004 0.000 0.971 379 T CA 0.128 62.231 62.100 0.005 0.000 0.949 379 T CB 1.381 70.264 68.868 0.024 0.000 1.093 379 T HN 0.686 nan 8.240 nan 0.000 0.545 380 Q N -0.092 119.708 119.800 0.000 0.000 2.311 380 Q HA -0.001 4.365 4.340 0.043 0.000 0.203 380 Q C 1.216 177.223 176.000 0.012 0.000 0.954 380 Q CA 1.608 57.405 55.803 -0.010 0.000 0.885 380 Q CB -0.179 28.548 28.738 -0.019 0.000 0.963 380 Q HN 0.648 nan 8.270 nan 0.000 0.471 381 D N 0.001 120.431 120.400 0.049 0.000 2.363 381 D HA 0.166 4.832 4.640 0.043 0.000 0.226 381 D C 0.505 176.836 176.300 0.052 0.000 1.020 381 D CA 1.102 55.160 54.000 0.098 0.000 0.892 381 D CB 0.015 40.889 40.800 0.124 0.000 0.900 381 D HN 0.408 nan 8.370 nan 0.000 0.531 382 G N 0.533 109.337 108.800 0.007 0.000 2.710 382 G HA2 -0.185 3.801 3.960 0.043 0.000 0.668 382 G HA3 -0.185 3.801 3.960 0.043 0.000 0.668 382 G C -2.715 172.158 174.900 -0.044 0.000 1.320 382 G CA -1.195 43.877 45.100 -0.047 0.000 0.860 382 G HN -0.064 nan 8.290 nan 0.000 0.538 383 P HA 0.169 nan 4.420 nan 0.000 0.266 383 P C 1.316 178.727 177.300 0.185 0.000 1.195 383 P CA 0.947 64.016 63.100 -0.051 0.000 0.768 383 P CB 0.522 32.059 31.700 -0.273 0.000 0.838 384 T N -0.283 114.388 114.554 0.194 0.000 3.088 384 T HA 0.256 4.632 4.350 0.043 0.000 0.259 384 T C 0.921 175.793 174.700 0.287 0.000 1.122 384 T CA 0.758 63.002 62.100 0.240 0.000 1.095 384 T CB -0.314 68.662 68.868 0.179 0.000 0.930 384 T HN 0.497 nan 8.240 nan 0.000 0.508 385 G N 1.062 110.065 108.800 0.337 0.000 2.896 385 G HA2 0.500 4.485 3.960 0.043 0.000 0.247 385 G HA3 0.500 4.485 3.960 0.043 0.000 0.247 385 G C -0.672 174.482 174.900 0.423 0.000 1.187 385 G CA -0.204 45.031 45.100 0.225 0.000 0.837 385 G HN 0.505 nan 8.290 nan 0.000 0.559 386 S N -0.792 115.079 115.700 0.284 0.000 2.600 386 S HA 0.602 5.098 4.470 0.043 0.000 0.265 386 S C 0.050 174.812 174.600 0.269 0.000 1.325 386 S CA -0.373 58.053 58.200 0.376 0.000 1.002 386 S CB 0.754 64.128 63.200 0.290 0.000 0.921 386 S HN 0.538 nan 8.310 nan 0.000 0.554 387 L N 1.812 123.190 121.223 0.259 0.000 2.325 387 L HA 0.551 4.917 4.340 0.043 0.000 0.279 387 L C 0.493 177.297 176.870 -0.109 0.000 1.054 387 L CA -0.501 54.378 54.840 0.065 0.000 0.804 387 L CB 1.269 43.374 42.059 0.077 0.000 1.200 387 L HN 0.872 nan 8.230 nan 0.000 0.436 388 N N 0.827 119.430 118.700 -0.161 0.000 2.774 388 N HA 0.518 5.284 4.740 0.043 0.000 0.264 388 N C -1.177 174.208 175.510 -0.208 0.000 1.415 388 N CA -0.871 52.028 53.050 -0.252 0.000 0.815 388 N CB 1.950 40.300 38.487 -0.228 0.000 1.514 388 N HN 0.372 nan 8.380 nan 0.000 0.523 389 I N 1.822 122.270 120.570 -0.203 0.000 2.533 389 I HA 0.056 4.252 4.170 0.043 0.000 0.284 389 I C 0.842 176.917 176.117 -0.070 0.000 1.109 389 I CA -0.099 61.133 61.300 -0.114 0.000 1.412 389 I CB 0.854 38.786 38.000 -0.114 0.000 1.396 389 I HN 0.473 nan 8.210 nan 0.000 0.543 390 S N 5.072 120.769 115.700 -0.004 0.000 2.589 390 S HA 0.070 4.566 4.470 0.043 0.000 0.265 390 S C 1.105 175.747 174.600 0.069 0.000 1.342 390 S CA -0.623 57.596 58.200 0.033 0.000 1.005 390 S CB 1.550 64.790 63.200 0.066 0.000 0.909 390 S HN 0.537 nan 8.310 nan 0.000 0.555 391 V N 2.695 122.666 119.914 0.095 0.000 2.287 391 V HA -0.022 4.124 4.120 0.043 0.000 0.248 391 V C 2.336 178.572 176.094 0.236 0.000 1.053 391 V CA 2.751 65.138 62.300 0.146 0.000 1.027 391 V CB -1.538 30.384 31.823 0.166 0.000 0.646 391 V HN 1.087 nan 8.190 nan 0.000 0.447 392 G N -1.056 107.904 108.800 0.266 0.000 2.422 392 G HA2 -0.200 3.786 3.960 0.043 0.000 0.218 392 G HA3 -0.200 3.786 3.960 0.043 0.000 0.218 392 G C 1.753 176.776 174.900 0.204 0.000 1.146 392 G CA 0.993 46.261 45.100 0.279 0.000 0.769 392 G HN 0.777 nan 8.290 nan 0.000 0.547 393 A N 0.729 123.670 122.820 0.201 0.000 1.969 393 A HA 0.038 4.384 4.320 0.043 0.000 0.218 393 A C 2.298 180.103 177.584 0.369 0.000 1.169 393 A CA 1.828 54.045 52.037 0.300 0.000 0.635 393 A CB -0.281 18.909 19.000 0.316 0.000 0.810 393 A HN 0.385 nan 8.150 nan 0.000 0.445 394 K N -0.488 120.048 120.400 0.227 0.000 2.097 394 K HA -0.015 4.331 4.320 0.043 0.000 0.205 394 K C 1.735 178.483 176.600 0.245 0.000 1.050 394 K CA 1.430 57.834 56.287 0.194 0.000 0.938 394 K CB -0.315 32.241 32.500 0.092 0.000 0.718 394 K HN 0.522 nan 8.250 nan 0.000 0.442 395 I N 0.864 121.561 120.570 0.211 0.000 2.252 395 I HA -0.250 3.946 4.170 0.043 0.000 0.245 395 I C 2.283 178.514 176.117 0.191 0.000 1.102 395 I CA 0.566 61.966 61.300 0.166 0.000 1.385 395 I CB -0.145 37.920 38.000 0.110 0.000 1.064 395 I HN 0.088 nan 8.210 nan 0.000 0.414 396 L N 0.178 121.539 121.223 0.230 0.000 2.042 396 L HA -0.277 4.089 4.340 0.043 0.000 0.210 396 L C 2.479 179.599 176.870 0.416 0.000 1.076 396 L CA 1.912 56.912 54.840 0.268 0.000 0.749 396 L CB -0.910 41.275 42.059 0.210 0.000 0.893 396 L HN 0.245 nan 8.230 nan 0.000 0.432 397 Y N 0.395 120.912 120.300 0.361 0.000 2.165 397 Y HA -0.234 4.343 4.550 0.045 0.000 0.286 397 Y C 2.415 178.411 175.900 0.160 0.000 1.155 397 Y CA 2.050 60.300 58.100 0.251 0.000 1.164 397 Y CB -0.074 38.423 38.460 0.061 0.000 0.978 397 Y HN 0.296 nan 8.280 nan 0.000 0.513 398 E N 0.320 120.624 120.200 0.172 0.000 2.077 398 E HA -0.219 4.157 4.350 0.043 0.000 0.193 398 E C 2.439 179.059 176.600 0.032 0.000 0.989 398 E CA 1.156 57.587 56.400 0.053 0.000 0.800 398 E CB -0.803 28.961 29.700 0.107 0.000 0.746 398 E HN 0.581 nan 8.360 nan 0.000 0.452 399 A N 1.410 124.303 122.820 0.121 0.000 1.902 399 A HA -0.158 4.188 4.320 0.043 0.000 0.217 399 A C 2.505 180.169 177.584 0.133 0.000 1.181 399 A CA 2.062 54.203 52.037 0.173 0.000 0.623 399 A CB -0.789 18.392 19.000 0.302 0.000 0.818 399 A HN 0.222 nan 8.150 nan 0.000 0.443 400 V N -3.231 116.763 119.914 0.135 0.000 3.217 400 V HA -0.073 4.073 4.120 0.043 0.000 0.264 400 V C 1.645 177.687 176.094 -0.087 0.000 1.135 400 V CA 1.571 63.905 62.300 0.057 0.000 1.142 400 V CB -0.614 31.338 31.823 0.214 0.000 0.754 400 V HN 0.465 nan 8.190 nan 0.000 0.484 401 Q N 0.985 120.677 119.800 -0.180 0.000 2.451 401 Q HA 0.228 4.594 4.340 0.043 0.000 0.206 401 Q C 1.698 177.634 176.000 -0.107 0.000 0.947 401 Q CA 0.857 56.533 55.803 -0.211 0.000 0.937 401 Q CB 0.202 28.745 28.738 -0.324 0.000 1.025 401 Q HN 0.885 nan 8.270 nan 0.000 0.511 402 G N 2.586 111.343 108.800 -0.071 0.000 2.611 402 G HA2 -0.407 3.579 3.960 0.043 0.000 0.301 402 G HA3 -0.407 3.579 3.960 0.043 0.000 0.301 402 G C 0.245 175.125 174.900 -0.034 0.000 1.233 402 G CA 0.647 45.718 45.100 -0.048 0.000 0.993 402 G HN 0.505 nan 8.290 nan 0.000 0.553 403 D N 0.588 120.970 120.400 -0.030 0.000 2.352 403 D HA 0.139 4.805 4.640 0.043 0.000 0.232 403 D C 1.761 178.050 176.300 -0.019 0.000 1.055 403 D CA 1.186 55.174 54.000 -0.019 0.000 0.891 403 D CB 0.024 40.816 40.800 -0.014 0.000 0.897 403 D HN 0.641 nan 8.370 nan 0.000 0.529 404 K N -0.093 120.289 120.400 -0.031 0.000 2.296 404 K HA 0.012 4.358 4.320 0.043 0.000 0.200 404 K C 0.831 177.419 176.600 -0.019 0.000 1.048 404 K CA 0.212 56.483 56.287 -0.027 0.000 0.966 404 K CB 0.117 32.592 32.500 -0.042 0.000 0.754 404 K HN 0.054 nan 8.250 nan 0.000 0.466 405 S N 1.649 117.335 115.700 -0.022 0.000 2.545 405 S HA 0.129 4.625 4.470 0.043 0.000 0.275 405 S C -1.626 172.983 174.600 0.015 0.000 1.299 405 S CA -1.556 56.644 58.200 -0.000 0.000 1.048 405 S CB 0.848 64.048 63.200 0.001 0.000 0.938 405 S HN 0.036 nan 8.310 nan 0.000 0.496 406 P HA 0.186 nan 4.420 nan 0.000 0.249 406 P C -0.272 177.047 177.300 0.032 0.000 1.229 406 P CA 0.088 63.205 63.100 0.029 0.000 0.788 406 P CB 0.016 31.738 31.700 0.037 0.000 1.072 407 I N 2.463 123.055 120.570 0.036 0.000 2.325 407 I HA 0.275 4.471 4.170 0.043 0.000 0.291 407 I C -2.307 173.826 176.117 0.026 0.000 1.019 407 I CA -3.465 57.856 61.300 0.035 0.000 1.302 407 I CB 0.395 38.423 38.000 0.046 0.000 1.401 407 I HN -0.218 nan 8.210 nan 0.000 0.485 408 P HA 0.067 nan 4.420 nan 0.000 0.267 408 P C -0.431 176.878 177.300 0.015 0.000 1.209 408 P CA -0.203 62.906 63.100 0.015 0.000 0.763 408 P CB 0.335 32.042 31.700 0.011 0.000 0.816 409 Q N 2.755 122.565 119.800 0.018 0.000 2.844 409 Q HA 0.192 4.558 4.340 0.043 0.000 0.235 409 Q C 1.326 177.333 176.000 0.012 0.000 1.336 409 Q CA -0.199 55.616 55.803 0.021 0.000 1.026 409 Q CB 0.313 29.073 28.738 0.038 0.000 1.513 409 Q HN 0.486 nan 8.270 nan 0.000 0.577 410 A N 1.723 124.543 122.820 0.001 0.000 1.917 410 A HA -0.096 4.250 4.320 0.043 0.000 0.219 410 A C 1.073 178.652 177.584 -0.007 0.000 1.182 410 A CA 1.118 53.151 52.037 -0.006 0.000 0.633 410 A CB 0.271 19.262 19.000 -0.015 0.000 0.819 410 A HN 0.404 nan 8.150 nan 0.000 0.448 411 V N 0.665 120.572 119.914 -0.011 0.000 2.495 411 V HA 0.425 4.571 4.120 0.043 0.000 0.298 411 V C -1.256 174.843 176.094 0.009 0.000 1.031 411 V CA -0.959 61.335 62.300 -0.010 0.000 0.871 411 V CB 1.548 33.353 31.823 -0.031 0.000 0.988 411 V HN 0.409 nan 8.190 nan 0.000 0.432 412 D N 5.059 125.476 120.400 0.028 0.000 2.346 412 D HA 0.110 4.776 4.640 0.043 0.000 0.260 412 D C 1.079 177.414 176.300 0.060 0.000 1.252 412 D CA 0.248 54.291 54.000 0.073 0.000 0.895 412 D CB 0.935 41.785 40.800 0.083 0.000 1.097 412 D HN 0.572 nan 8.370 nan 0.000 0.489 413 L N 3.139 124.399 121.223 0.061 0.000 2.456 413 L HA -0.066 4.300 4.340 0.043 0.000 0.224 413 L C 1.287 177.998 176.870 -0.265 0.000 1.148 413 L CA 0.398 55.173 54.840 -0.109 0.000 0.825 413 L CB -0.276 41.670 42.059 -0.187 0.000 0.937 413 L HN 0.415 nan 8.230 nan 0.000 0.450 414 F N -0.005 119.940 119.950 -0.008 0.000 2.765 414 F HA 0.292 4.845 4.527 0.043 0.000 0.302 414 F C 1.607 177.404 175.800 -0.005 0.000 1.111 414 F CA 0.228 58.225 58.000 -0.004 0.000 1.359 414 F CB -0.223 38.781 39.000 0.006 0.000 1.097 414 F HN 0.048 nan 8.300 nan 0.000 0.577 415 A N 0.407 123.285 122.820 0.097 0.000 2.687 415 A HA 0.017 4.363 4.320 0.043 0.000 0.299 415 A C 1.760 179.386 177.584 0.070 0.000 1.497 415 A CA 0.995 53.065 52.037 0.055 0.000 0.751 415 A CB -1.942 17.067 19.000 0.016 0.000 1.048 415 A HN 1.414 nan 8.150 nan 0.000 0.464 416 G N -1.967 106.886 108.800 0.088 0.000 2.205 416 G HA2 -0.287 3.699 3.960 0.043 0.000 0.261 416 G HA3 -0.287 3.699 3.960 0.043 0.000 0.261 416 G C 0.176 175.116 174.900 0.066 0.000 0.980 416 G CA 1.035 46.173 45.100 0.063 0.000 0.632 416 G HN 1.182 nan 8.290 nan 0.000 0.533 417 K N 0.948 121.409 120.400 0.102 0.000 2.098 417 K HA 0.495 4.841 4.320 0.043 0.000 0.261 417 K C -2.608 174.037 176.600 0.075 0.000 0.987 417 K CA -1.889 54.453 56.287 0.091 0.000 0.916 417 K CB 1.128 33.698 32.500 0.117 0.000 1.039 417 K HN -0.017 nan 8.250 nan 0.000 0.455 418 P HA 0.020 nan 4.420 nan 0.000 0.268 418 P C 0.135 177.399 177.300 -0.060 0.000 1.204 418 P CA 0.100 63.183 63.100 -0.028 0.000 0.768 418 P CB 0.565 32.258 31.700 -0.012 0.000 0.842 419 Q N 1.684 121.326 119.800 -0.263 0.000 2.135 419 Q HA -0.273 4.093 4.340 0.043 0.000 0.204 419 Q C 1.986 177.935 176.000 -0.086 0.000 0.981 419 Q CA 1.474 56.990 55.803 -0.479 0.000 0.856 419 Q CB -0.144 28.116 28.738 -0.797 0.000 0.902 419 Q HN 0.605 nan 8.270 nan 0.000 0.425 420 Q N 1.065 120.840 119.800 -0.042 0.000 2.096 420 Q HA -0.263 4.103 4.340 0.043 0.000 0.204 420 Q C 1.944 177.993 176.000 0.081 0.000 0.982 420 Q CA 1.649 57.472 55.803 0.034 0.000 0.850 420 Q CB -0.023 28.723 28.738 0.014 0.000 0.901 420 Q HN 0.396 nan 8.270 nan 0.000 0.422 421 E N -0.681 119.562 120.200 0.072 0.000 2.085 421 E HA -0.183 4.193 4.350 0.043 0.000 0.194 421 E C 1.900 178.579 176.600 0.131 0.000 0.994 421 E CA 1.555 58.009 56.400 0.089 0.000 0.801 421 E CB 0.111 29.856 29.700 0.075 0.000 0.743 421 E HN 0.322 nan 8.360 nan 0.000 0.453 422 V N 0.494 120.520 119.914 0.186 0.000 2.379 422 V HA -0.198 3.948 4.120 0.043 0.000 0.245 422 V C 2.458 178.687 176.094 0.225 0.000 1.044 422 V CA 1.207 63.636 62.300 0.215 0.000 1.036 422 V CB -0.164 31.878 31.823 0.366 0.000 0.664 422 V HN 0.187 nan 8.190 nan 0.000 0.453 423 V N 0.005 120.099 119.914 0.299 0.000 2.287 423 V HA -0.280 3.866 4.120 0.043 0.000 0.248 423 V C 2.327 178.657 176.094 0.394 0.000 1.053 423 V CA 2.074 64.632 62.300 0.430 0.000 1.027 423 V CB -0.557 31.514 31.823 0.412 0.000 0.646 423 V HN 0.442 nan 8.190 nan 0.000 0.447 424 L N -0.182 121.183 121.223 0.236 0.000 2.093 424 L HA -0.121 4.245 4.340 0.043 0.000 0.208 424 L C 2.723 179.699 176.870 0.177 0.000 1.085 424 L CA 1.403 56.352 54.840 0.181 0.000 0.755 424 L CB -0.772 41.355 42.059 0.113 0.000 0.904 424 L HN 0.367 nan 8.230 nan 0.000 0.435 425 A N 0.143 123.054 122.820 0.152 0.000 1.902 425 A HA -0.175 4.171 4.320 0.043 0.000 0.217 425 A C 2.519 180.182 177.584 0.130 0.000 1.181 425 A CA 1.727 53.835 52.037 0.119 0.000 0.623 425 A CB -0.652 18.398 19.000 0.083 0.000 0.818 425 A HN 0.398 nan 8.150 nan 0.000 0.443 426 A N -0.469 122.435 122.820 0.139 0.000 1.972 426 A HA 0.007 4.353 4.320 0.043 0.000 0.219 426 A C 2.135 179.917 177.584 0.330 0.000 1.169 426 A CA 1.385 53.481 52.037 0.098 0.000 0.635 426 A CB -0.526 18.335 19.000 -0.232 0.000 0.810 426 A HN 0.472 nan 8.150 nan 0.000 0.446 427 L N -0.951 120.538 121.223 0.444 0.000 2.141 427 L HA -0.172 4.194 4.340 0.043 0.000 0.209 427 L C 2.603 179.648 176.870 0.292 0.000 1.094 427 L CA 1.653 56.721 54.840 0.380 0.000 0.763 427 L CB -0.358 41.848 42.059 0.245 0.000 0.908 427 L HN 0.592 nan 8.230 nan 0.000 0.437 428 E N 0.217 120.556 120.200 0.232 0.000 2.077 428 E HA -0.245 4.131 4.350 0.043 0.000 0.193 428 E C 1.599 178.338 176.600 0.232 0.000 0.989 428 E CA 1.411 57.945 56.400 0.223 0.000 0.800 428 E CB 0.158 29.951 29.700 0.155 0.000 0.746 428 E HN 0.394 nan 8.360 nan 0.000 0.452 429 D N -0.212 120.293 120.400 0.176 0.000 2.144 429 D HA -0.128 4.538 4.640 0.043 0.000 0.199 429 D C 1.902 178.291 176.300 0.148 0.000 0.984 429 D CA 1.520 55.596 54.000 0.128 0.000 0.834 429 D CB -0.470 40.377 40.800 0.078 0.000 0.955 429 D HN 0.186 nan 8.370 nan 0.000 0.465 430 T N 0.259 114.945 114.554 0.220 0.000 2.708 430 T HA -0.171 4.205 4.350 0.043 0.000 0.266 430 T C 1.651 176.511 174.700 0.267 0.000 1.037 430 T CA 0.887 63.133 62.100 0.243 0.000 1.146 430 T CB -0.349 68.718 68.868 0.331 0.000 0.865 430 T HN 0.383 nan 8.240 nan 0.000 0.435 431 W N 2.133 123.532 121.300 0.164 0.000 2.335 431 W HA -0.155 4.532 4.660 0.044 0.000 0.311 431 W C 1.981 178.583 176.519 0.138 0.000 1.213 431 W CA 1.185 58.640 57.345 0.184 0.000 1.274 431 W CB -0.080 29.468 29.460 0.147 0.000 1.148 431 W HN 0.230 nan 8.180 nan 0.000 0.498 432 E N -0.026 120.203 120.200 0.049 0.000 2.038 432 E HA -0.183 4.193 4.350 0.043 0.000 0.195 432 E C 2.028 178.527 176.600 -0.168 0.000 1.000 432 E CA 2.269 58.620 56.400 -0.081 0.000 0.803 432 E CB -1.001 28.725 29.700 0.043 0.000 0.750 432 E HN 0.222 nan 8.360 nan 0.000 0.448 433 T N 2.021 116.516 114.554 -0.100 0.000 2.674 433 T HA -0.102 4.274 4.350 0.043 0.000 0.265 433 T C 2.159 176.718 174.700 -0.235 0.000 1.039 433 T CA 1.044 63.065 62.100 -0.131 0.000 1.150 433 T CB -0.269 68.561 68.868 -0.063 0.000 0.864 433 T HN 0.073 nan 8.240 nan 0.000 0.427 434 L N 1.354 122.431 121.223 -0.243 0.000 2.109 434 L HA -0.040 4.326 4.340 0.043 0.000 0.207 434 L C 2.900 179.362 176.870 -0.679 0.000 1.086 434 L CA 1.215 55.799 54.840 -0.426 0.000 0.760 434 L CB -0.631 41.210 42.059 -0.363 0.000 0.910 434 L HN 0.373 nan 8.230 nan 0.000 0.437 435 S N -0.392 114.908 115.700 -0.668 0.000 2.423 435 S HA -0.160 4.336 4.470 0.043 0.000 0.231 435 S C 1.893 176.246 174.600 -0.412 0.000 1.014 435 S CA 0.697 58.512 58.200 -0.641 0.000 0.965 435 S CB -0.220 62.322 63.200 -1.096 0.000 0.785 435 S HN 0.356 nan 8.310 nan 0.000 0.495 436 K N 0.869 121.048 120.400 -0.369 0.000 2.148 436 K HA 0.046 4.392 4.320 0.043 0.000 0.204 436 K C 2.494 178.900 176.600 -0.324 0.000 1.050 436 K CA 1.037 57.161 56.287 -0.270 0.000 0.942 436 K CB -0.119 32.255 32.500 -0.210 0.000 0.724 436 K HN 0.410 nan 8.250 nan 0.000 0.446 437 R N -0.371 119.846 120.500 -0.471 0.000 2.080 437 R HA -0.060 4.306 4.340 0.043 0.000 0.222 437 R C 0.991 176.842 176.300 -0.749 0.000 1.107 437 R CA 1.236 56.936 56.100 -0.666 0.000 0.980 437 R CB 0.178 29.893 30.300 -0.974 0.000 0.879 437 R HN 0.158 nan 8.270 nan 0.000 0.439 438 Y N -0.736 119.245 120.300 -0.531 0.000 2.445 438 Y HA 0.404 4.977 4.550 0.039 0.000 0.247 438 Y C 0.751 176.508 175.900 -0.238 0.000 1.129 438 Y CA 0.315 58.096 58.100 -0.531 0.000 1.251 438 Y CB 1.288 39.007 38.460 -1.236 0.000 1.176 438 Y HN 0.345 nan 8.280 nan 0.000 0.522 439 G N 0.775 109.540 108.800 -0.058 0.000 2.710 439 G HA2 -0.264 3.722 3.960 0.043 0.000 0.668 439 G HA3 -0.264 3.722 3.960 0.043 0.000 0.668 439 G C 0.024 175.094 174.900 0.284 0.000 1.320 439 G CA -0.288 44.873 45.100 0.101 0.000 0.860 439 G HN 0.176 nan 8.290 nan 0.000 0.538 440 N N 0.548 119.415 118.700 0.278 0.000 2.398 440 N HA 0.027 4.793 4.740 0.043 0.000 0.188 440 N C 0.620 176.372 175.510 0.403 0.000 1.122 440 N CA 0.383 53.677 53.050 0.407 0.000 0.866 440 N CB 0.115 38.821 38.487 0.365 0.000 0.970 440 N HN 0.525 nan 8.380 nan 0.000 0.462 441 N N 0.917 119.795 118.700 0.297 0.000 2.699 441 N HA 0.099 4.865 4.740 0.043 0.000 0.232 441 N C 0.909 176.289 175.510 -0.218 0.000 1.027 441 N CA -0.208 52.890 53.050 0.080 0.000 0.920 441 N CB 0.651 39.194 38.487 0.094 0.000 1.148 441 N HN -0.289 nan 8.380 nan 0.000 0.509 442 V N 2.015 121.579 119.914 -0.583 0.000 2.469 442 V HA -0.243 3.903 4.120 0.043 0.000 0.251 442 V C 2.243 177.900 176.094 -0.730 0.000 1.064 442 V CA 2.201 63.669 62.300 -1.387 0.000 1.066 442 V CB -0.842 30.344 31.823 -1.062 0.000 0.667 442 V HN 0.809 nan 8.190 nan 0.000 0.461 443 S N 2.230 117.721 115.700 -0.348 0.000 2.469 443 S HA -0.178 4.318 4.470 0.043 0.000 0.238 443 S C 1.483 176.027 174.600 -0.094 0.000 0.998 443 S CA 1.419 59.507 58.200 -0.186 0.000 0.957 443 S CB -0.640 62.491 63.200 -0.116 0.000 0.764 443 S HN 0.825 nan 8.310 nan 0.000 0.514 444 N N -0.641 118.039 118.700 -0.033 0.000 2.203 444 N HA 0.073 4.839 4.740 0.043 0.000 0.207 444 N C -0.845 174.773 175.510 0.180 0.000 1.130 444 N CA -0.655 52.440 53.050 0.074 0.000 0.861 444 N CB -0.611 37.934 38.487 0.097 0.000 1.005 444 N HN 0.355 nan 8.380 nan 0.000 0.507 445 W N 1.985 123.210 121.300 -0.125 0.000 2.446 445 W HA 0.317 5.003 4.660 0.043 0.000 0.316 445 W C 0.131 176.467 176.519 -0.305 0.000 1.376 445 W CA -0.893 56.275 57.345 -0.295 0.000 1.300 445 W CB 0.158 29.347 29.460 -0.452 0.000 1.351 445 W HN -0.083 nan 8.180 nan 0.000 0.530 446 K N 2.886 123.248 120.400 -0.064 0.000 2.357 446 K HA 0.206 4.551 4.320 0.043 0.000 0.251 446 K C 0.445 176.998 176.600 -0.077 0.000 1.069 446 K CA -0.303 55.966 56.287 -0.030 0.000 0.994 446 K CB 0.607 33.127 32.500 0.034 0.000 1.411 446 K HN 0.333 nan 8.250 nan 0.000 0.450 447 T N -0.121 114.362 114.554 -0.118 0.000 2.909 447 T HA 0.333 4.709 4.350 0.043 0.000 0.289 447 T C -2.212 172.485 174.700 -0.005 0.000 1.005 447 T CA -2.103 59.961 62.100 -0.060 0.000 1.084 447 T CB 0.947 69.784 68.868 -0.051 0.000 0.975 447 T HN 0.192 nan 8.240 nan 0.000 0.509 448 P HA 0.324 nan 4.420 nan 0.000 0.271 448 P C -0.547 176.464 177.300 -0.481 0.000 1.216 448 P CA -0.341 62.656 63.100 -0.172 0.000 0.771 448 P CB 0.393 32.027 31.700 -0.110 0.000 0.864 449 A N 4.820 127.179 122.820 -0.769 0.000 2.316 449 A HA 0.498 4.844 4.320 0.043 0.000 0.284 449 A C 0.546 177.601 177.584 -0.881 0.000 1.115 449 A CA -0.697 50.360 52.037 -1.634 0.000 0.812 449 A CB 0.028 18.184 19.000 -1.408 0.000 1.064 449 A HN 0.528 nan 8.150 nan 0.000 0.489 450 M N 1.568 120.692 119.600 -0.794 0.000 2.233 450 M HA 0.409 4.915 4.480 0.043 0.000 0.350 450 M C 0.578 176.846 176.300 -0.053 0.000 1.176 450 M CA 0.230 55.402 55.300 -0.214 0.000 1.150 450 M CB 1.049 33.643 32.600 -0.009 0.000 1.530 450 M HN 0.817 nan 8.290 nan 0.000 0.459 451 A N 3.079 125.885 122.820 -0.024 0.000 2.284 451 A HA 0.923 5.269 4.320 0.043 0.000 0.317 451 A C -1.289 176.332 177.584 0.061 0.000 1.120 451 A CA -0.785 51.269 52.037 0.028 0.000 0.900 451 A CB 1.103 20.108 19.000 0.007 0.000 1.319 451 A HN 0.851 nan 8.150 nan 0.000 0.494 452 L N -0.493 120.720 121.223 -0.016 0.000 2.381 452 L HA 0.731 5.097 4.340 0.043 0.000 0.268 452 L C -1.024 175.724 176.870 -0.204 0.000 0.997 452 L CA -0.108 54.601 54.840 -0.218 0.000 0.818 452 L CB 2.465 44.218 42.059 -0.510 0.000 1.310 452 L HN 0.683 nan 8.230 nan 0.000 0.416 453 T N 3.800 118.185 114.554 -0.282 0.000 2.841 453 T HA 0.458 4.834 4.350 0.043 0.000 0.285 453 T C -0.793 173.729 174.700 -0.297 0.000 0.991 453 T CA -0.109 61.843 62.100 -0.248 0.000 0.966 453 T CB 0.740 69.520 68.868 -0.146 0.000 0.962 453 T HN 0.247 nan 8.240 nan 0.000 0.438 454 F N 3.384 123.230 119.950 -0.172 0.000 2.464 454 F HA 0.335 4.911 4.527 0.082 0.000 0.353 454 F C 1.367 177.117 175.800 -0.083 0.000 1.191 454 F CA -0.770 57.177 58.000 -0.090 0.000 1.147 454 F CB 0.160 39.107 39.000 -0.089 0.000 1.294 454 F HN 0.189 nan 8.300 nan 0.000 0.583 455 R N 1.506 122.042 120.500 0.059 0.000 2.490 455 R HA 0.394 4.760 4.340 0.043 0.000 0.280 455 R C 0.986 177.425 176.300 0.232 0.000 1.077 455 R CA -0.018 56.156 56.100 0.123 0.000 1.065 455 R CB 0.840 31.224 30.300 0.139 0.000 1.003 455 R HN 0.731 nan 8.270 nan 0.000 0.470 456 A N 2.713 125.640 122.820 0.179 0.000 2.208 456 A HA 0.012 4.358 4.320 0.043 0.000 0.209 456 A C 0.134 177.832 177.584 0.189 0.000 1.161 456 A CA 0.394 52.535 52.037 0.172 0.000 0.782 456 A CB -0.067 19.008 19.000 0.125 0.000 0.816 456 A HN 0.567 nan 8.150 nan 0.000 0.477 457 N N 1.648 120.482 118.700 0.223 0.000 2.456 457 N HA 0.254 5.020 4.740 0.043 0.000 0.288 457 N C -0.187 175.507 175.510 0.306 0.000 1.059 457 N CA -0.455 52.724 53.050 0.216 0.000 0.946 457 N CB 0.914 39.513 38.487 0.187 0.000 1.150 457 N HN 0.570 nan 8.380 nan 0.000 0.479 458 N N 0.695 119.506 118.700 0.186 0.000 2.255 458 N HA -0.036 4.730 4.740 0.043 0.000 0.253 458 N C 0.964 176.524 175.510 0.083 0.000 1.313 458 N CA -0.276 52.795 53.050 0.035 0.000 0.912 458 N CB 0.004 38.540 38.487 0.082 0.000 1.145 458 N HN 0.546 nan 8.380 nan 0.000 0.511 459 F N -2.417 117.461 119.950 -0.119 0.000 2.365 459 F HA 0.175 4.721 4.527 0.033 0.000 0.300 459 F C 1.200 177.044 175.800 0.073 0.000 1.090 459 F CA 0.295 58.317 58.000 0.037 0.000 1.408 459 F CB -0.661 38.312 39.000 -0.046 0.000 1.060 459 F HN 0.256 nan 8.300 nan 0.000 0.534 460 F N 1.545 121.160 119.950 -0.558 0.000 2.604 460 F HA 0.276 4.831 4.527 0.046 0.000 0.298 460 F C 2.113 177.870 175.800 -0.071 0.000 1.131 460 F CA 0.842 58.639 58.000 -0.338 0.000 1.457 460 F CB -0.504 38.235 39.000 -0.435 0.000 1.095 460 F HN 0.254 nan 8.300 nan 0.000 0.574 461 G N 0.316 109.219 108.800 0.172 0.000 2.132 461 G HA2 -0.219 3.767 3.960 0.043 0.000 0.234 461 G HA3 -0.219 3.767 3.960 0.043 0.000 0.234 461 G C -0.248 174.722 174.900 0.116 0.000 0.989 461 G CA -0.030 45.164 45.100 0.155 0.000 0.676 461 G HN 0.149 nan 8.290 nan 0.000 0.522 462 V N 1.350 121.325 119.914 0.101 0.000 2.398 462 V HA 0.473 4.619 4.120 0.043 0.000 0.286 462 V C -1.746 174.389 176.094 0.068 0.000 1.026 462 V CA -1.896 60.434 62.300 0.050 0.000 0.868 462 V CB 1.849 33.656 31.823 -0.027 0.000 0.982 462 V HN 0.074 nan 8.190 nan 0.000 0.443 463 P HA -0.004 nan 4.420 nan 0.000 0.261 463 P C -0.015 177.325 177.300 0.066 0.000 1.173 463 P CA 0.436 63.579 63.100 0.072 0.000 0.760 463 P CB 0.148 31.881 31.700 0.055 0.000 0.783 464 Q N 2.522 122.375 119.800 0.087 0.000 2.118 464 Q HA 0.624 4.990 4.340 0.043 0.000 0.219 464 Q C -0.230 175.819 176.000 0.083 0.000 0.794 464 Q CA -0.577 55.275 55.803 0.081 0.000 1.035 464 Q CB 0.818 29.611 28.738 0.092 0.000 1.177 464 Q HN 0.329 nan 8.270 nan 0.000 0.478 465 A N 0.268 123.139 122.820 0.084 0.000 2.567 465 A HA 0.743 5.089 4.320 0.043 0.000 0.291 465 A C -1.377 176.254 177.584 0.078 0.000 1.048 465 A CA -0.493 51.596 52.037 0.086 0.000 0.661 465 A CB 0.212 19.275 19.000 0.104 0.000 1.288 465 A HN 0.400 nan 8.150 nan 0.000 0.424 466 A N 0.174 123.037 122.820 0.071 0.000 2.386 466 A HA 0.605 4.951 4.320 0.043 0.000 0.248 466 A C 1.548 179.178 177.584 0.075 0.000 1.082 466 A CA 0.622 52.696 52.037 0.062 0.000 0.789 466 A CB -0.148 18.879 19.000 0.046 0.000 1.025 466 A HN 2.420 nan 8.150 nan 0.000 0.490 467 A N 0.790 123.652 122.820 0.070 0.000 1.948 467 A HA -0.164 4.182 4.320 0.043 0.000 0.220 467 A C 1.737 179.373 177.584 0.086 0.000 1.177 467 A CA 1.842 53.926 52.037 0.079 0.000 0.636 467 A CB -0.549 18.494 19.000 0.072 0.000 0.815 467 A HN 0.898 nan 8.150 nan 0.000 0.449 468 E N 0.581 120.827 120.200 0.077 0.000 2.472 468 E HA -0.173 4.203 4.350 0.043 0.000 0.200 468 E C 0.967 177.627 176.600 0.100 0.000 1.046 468 E CA 1.084 57.533 56.400 0.082 0.000 0.871 468 E CB -0.494 29.242 29.700 0.060 0.000 0.806 468 E HN 0.802 nan 8.360 nan 0.000 0.533 469 E N 1.208 121.473 120.200 0.110 0.000 2.481 469 E HA 0.022 4.398 4.350 0.043 0.000 0.195 469 E C 0.029 176.687 176.600 0.097 0.000 1.047 469 E CA 0.132 56.616 56.400 0.140 0.000 0.867 469 E CB 0.054 29.855 29.700 0.169 0.000 0.858 469 E HN 0.106 nan 8.360 nan 0.000 0.513 470 T N 2.382 116.986 114.554 0.083 0.000 2.934 470 T HA 0.056 4.431 4.350 0.043 0.000 0.306 470 T C 0.262 174.961 174.700 -0.002 0.000 1.042 470 T CA 0.244 62.364 62.100 0.033 0.000 1.145 470 T CB 0.440 69.320 68.868 0.020 0.000 0.982 470 T HN -0.042 nan 8.240 nan 0.000 0.544 471 R N 1.945 122.423 120.500 -0.037 0.000 2.670 471 R HA 0.485 4.851 4.340 0.043 0.000 0.289 471 R C -0.887 175.388 176.300 -0.042 0.000 0.965 471 R CA -0.766 55.334 56.100 -0.000 0.000 0.899 471 R CB 1.203 31.468 30.300 -0.058 0.000 1.173 471 R HN 0.724 nan 8.270 nan 0.000 0.456 472 H N 0.169 119.331 119.070 0.153 0.000 2.524 472 H HA 0.359 4.930 4.556 0.026 0.000 0.353 472 H C -0.590 174.808 175.328 0.116 0.000 1.136 472 H CA -0.530 55.590 56.048 0.119 0.000 1.193 472 H CB 2.417 32.216 29.762 0.062 0.000 1.558 472 H HN 0.328 nan 8.280 nan 0.000 0.515 473 Q N 2.279 122.196 119.800 0.195 0.000 2.321 473 Q HA 0.528 4.894 4.340 0.043 0.000 0.270 473 Q C -0.139 175.903 176.000 0.072 0.000 1.032 473 Q CA -0.711 55.169 55.803 0.127 0.000 0.784 473 Q CB 1.814 30.627 28.738 0.124 0.000 1.264 473 Q HN 0.853 nan 8.270 nan 0.000 0.448 474 A N 3.734 126.587 122.820 0.056 0.000 1.908 474 A HA -0.137 4.209 4.320 0.043 0.000 0.218 474 A C 0.738 178.337 177.584 0.024 0.000 1.181 474 A CA 1.303 53.356 52.037 0.028 0.000 0.627 474 A CB -0.150 18.863 19.000 0.022 0.000 0.818 474 A HN 0.776 nan 8.150 nan 0.000 0.445 475 E N -0.449 119.775 120.200 0.040 0.000 2.089 475 E HA 0.302 4.678 4.350 0.043 0.000 0.284 475 E C -1.189 175.443 176.600 0.052 0.000 1.023 475 E CA -0.825 55.625 56.400 0.083 0.000 0.819 475 E CB 0.288 30.053 29.700 0.108 0.000 1.076 475 E HN 0.386 nan 8.360 nan 0.000 0.396 476 Y N 3.973 124.284 120.300 0.018 0.000 2.610 476 Y HA -0.000 4.596 4.550 0.077 0.000 0.332 476 Y C -0.579 175.364 175.900 0.070 0.000 1.201 476 Y CA 0.534 58.615 58.100 -0.030 0.000 1.465 476 Y CB 0.573 39.063 38.460 0.051 0.000 1.283 476 Y HN 0.485 nan 8.280 nan 0.000 0.563 477 Q N 4.769 124.030 119.800 -0.898 0.000 2.292 477 Q HA 0.183 4.549 4.340 0.043 0.000 0.270 477 Q C -1.116 174.477 176.000 -0.679 0.000 1.024 477 Q CA -0.978 54.530 55.803 -0.492 0.000 0.768 477 Q CB 1.342 29.945 28.738 -0.225 0.000 1.250 477 Q HN 0.591 nan 8.270 nan 0.000 0.447 478 N N 3.754 122.322 118.700 -0.220 0.000 2.968 478 N HA 0.084 4.850 4.740 0.043 0.000 0.271 478 N C -1.176 174.507 175.510 0.288 0.000 1.174 478 N CA -0.001 53.161 53.050 0.187 0.000 1.096 478 N CB 0.116 38.880 38.487 0.461 0.000 1.403 478 N HN 0.603 nan 8.380 nan 0.000 0.522 479 R N -0.374 120.284 120.500 0.263 0.000 2.810 479 R HA 0.682 5.048 4.340 0.043 0.000 0.266 479 R C 0.021 176.452 176.300 0.218 0.000 1.061 479 R CA -1.130 55.074 56.100 0.173 0.000 0.943 479 R CB -0.086 30.271 30.300 0.095 0.000 1.237 479 R HN 0.096 nan 8.270 nan 0.000 0.459 480 G N 0.021 108.852 108.800 0.052 0.000 2.484 480 G HA2 0.101 4.087 3.960 0.043 0.000 0.235 480 G HA3 0.101 4.087 3.960 0.043 0.000 0.235 480 G C 0.455 175.439 174.900 0.140 0.000 1.282 480 G CA -0.074 45.020 45.100 -0.010 0.000 0.857 480 G HN 0.596 nan 8.290 nan 0.000 0.571 481 T N 1.181 115.676 114.554 -0.099 0.000 2.699 481 T HA -0.088 4.288 4.350 0.043 0.000 0.268 481 T C 0.940 175.716 174.700 0.125 0.000 1.036 481 T CA 2.119 64.124 62.100 -0.159 0.000 1.147 481 T CB -0.148 68.606 68.868 -0.189 0.000 0.862 481 T HN 0.852 nan 8.240 nan 0.000 0.446 482 E N 0.443 120.698 120.200 0.091 0.000 2.336 482 E HA 0.598 4.974 4.350 0.043 0.000 0.267 482 E C -1.402 175.208 176.600 0.017 0.000 0.906 482 E CA -1.053 55.417 56.400 0.116 0.000 0.781 482 E CB 0.912 30.627 29.700 0.025 0.000 1.261 482 E HN 0.080 nan 8.360 nan 0.000 0.436 483 N N 0.498 119.240 118.700 0.070 0.000 2.238 483 N HA 0.418 5.184 4.740 0.043 0.000 0.302 483 N C -1.860 173.712 175.510 0.104 0.000 1.072 483 N CA -0.819 52.203 53.050 -0.048 0.000 0.792 483 N CB 1.465 39.825 38.487 -0.212 0.000 1.425 483 N HN 0.653 nan 8.380 nan 0.000 0.478 484 D N 1.107 121.530 120.400 0.039 0.000 2.819 484 D HA 0.358 5.024 4.640 0.043 0.000 0.232 484 D C -1.133 175.261 176.300 0.156 0.000 1.160 484 D CA -0.524 53.562 54.000 0.144 0.000 0.858 484 D CB 2.017 42.854 40.800 0.062 0.000 1.610 484 D HN 0.367 nan 8.370 nan 0.000 0.481 485 M N 1.876 121.629 119.600 0.256 0.000 2.327 485 M HA 0.513 5.019 4.480 0.043 0.000 0.298 485 M C -2.148 174.229 176.300 0.129 0.000 1.065 485 M CA -0.700 54.732 55.300 0.220 0.000 0.916 485 M CB 1.752 34.581 32.600 0.382 0.000 1.630 485 M HN 0.409 nan 8.290 nan 0.000 0.442 486 I N 4.963 125.526 120.570 -0.013 0.000 2.436 486 I HA 0.524 4.720 4.170 0.043 0.000 0.289 486 I C -0.973 174.979 176.117 -0.276 0.000 1.010 486 I CA -0.621 60.513 61.300 -0.276 0.000 1.098 486 I CB 2.084 39.812 38.000 -0.453 0.000 1.266 486 I HN 0.360 nan 8.210 nan 0.000 0.434 487 V N 6.237 125.930 119.914 -0.370 0.000 2.448 487 V HA 0.475 4.621 4.120 0.043 0.000 0.295 487 V C -0.691 175.156 176.094 -0.412 0.000 1.025 487 V CA -0.587 61.601 62.300 -0.187 0.000 0.859 487 V CB 1.345 33.195 31.823 0.045 0.000 0.988 487 V HN 0.373 nan 8.190 nan 0.000 0.431 488 F N 1.804 121.716 119.950 -0.063 0.000 2.436 488 F HA 0.450 5.003 4.527 0.043 0.000 0.340 488 F C 1.215 176.993 175.800 -0.037 0.000 1.113 488 F CA -0.520 57.435 58.000 -0.074 0.000 1.022 488 F CB 1.879 40.833 39.000 -0.076 0.000 1.128 488 F HN 0.540 nan 8.300 nan 0.000 0.466 489 S N 2.277 118.054 115.700 0.129 0.000 3.524 489 S HA -0.131 4.365 4.470 0.043 0.000 0.377 489 S C -2.439 172.194 174.600 0.056 0.000 0.949 489 S CA -0.423 57.825 58.200 0.080 0.000 1.264 489 S CB -1.784 61.470 63.200 0.089 0.000 0.918 489 S HN 0.376 nan 8.310 nan 0.000 0.517 490 P HA 0.096 nan 4.420 nan 0.000 0.269 490 P C 1.129 178.447 177.300 0.031 0.000 1.209 490 P CA 0.076 63.197 63.100 0.035 0.000 0.776 490 P CB 0.532 32.249 31.700 0.029 0.000 0.876 491 T N -2.882 111.690 114.554 0.030 0.000 3.100 491 T HA -0.027 4.349 4.350 0.043 0.000 0.253 491 T C 1.230 175.943 174.700 0.023 0.000 1.118 491 T CA 1.003 63.117 62.100 0.024 0.000 1.058 491 T CB -1.118 67.763 68.868 0.021 0.000 0.953 491 T HN 0.483 nan 8.240 nan 0.000 0.515 492 T N -1.173 113.397 114.554 0.026 0.000 3.107 492 T HA 0.358 4.734 4.350 0.043 0.000 0.249 492 T C 0.593 175.311 174.700 0.031 0.000 1.096 492 T CA -0.121 61.996 62.100 0.028 0.000 1.012 492 T CB 0.021 68.909 68.868 0.032 0.000 0.977 492 T HN 0.361 nan 8.240 nan 0.000 0.527 493 S N 0.818 116.534 115.700 0.027 0.000 2.556 493 S HA 0.324 4.820 4.470 0.043 0.000 0.271 493 S C -0.161 174.450 174.600 0.017 0.000 1.135 493 S CA -0.414 57.800 58.200 0.023 0.000 0.858 493 S CB 1.676 64.888 63.200 0.021 0.000 1.114 493 S HN 0.325 nan 8.310 nan 0.000 0.468 494 D N 1.600 122.009 120.400 0.016 0.000 2.347 494 D HA -0.014 4.652 4.640 0.043 0.000 0.213 494 D C 0.072 176.380 176.300 0.012 0.000 0.985 494 D CA -0.036 53.973 54.000 0.015 0.000 0.879 494 D CB 0.029 40.838 40.800 0.015 0.000 0.919 494 D HN 0.207 nan 8.370 nan 0.000 0.526 495 R N 1.352 121.854 120.500 0.004 0.000 2.643 495 R HA 0.176 4.542 4.340 0.043 0.000 0.270 495 R C -1.569 174.722 176.300 -0.014 0.000 1.061 495 R CA -1.965 54.131 56.100 -0.007 0.000 1.107 495 R CB -0.502 29.785 30.300 -0.021 0.000 0.999 495 R HN 0.049 nan 8.270 nan 0.000 0.460 496 P HA -0.007 nan 4.420 nan 0.000 0.218 496 P C -0.164 177.104 177.300 -0.055 0.000 1.152 496 P CA 0.786 63.891 63.100 0.008 0.000 0.826 496 P CB 0.482 32.209 31.700 0.045 0.000 0.790 497 V N 0.448 120.264 119.914 -0.163 0.000 2.577 497 V HA 0.310 4.456 4.120 0.043 0.000 0.303 497 V C -0.375 175.449 176.094 -0.450 0.000 1.042 497 V CA -0.602 61.443 62.300 -0.424 0.000 0.872 497 V CB 2.201 33.672 31.823 -0.586 0.000 0.998 497 V HN -0.142 nan 8.190 nan 0.000 0.423 498 L N 3.941 124.843 121.223 -0.534 0.000 2.334 498 L HA 1.002 5.368 4.340 0.043 0.000 0.276 498 L C 0.043 176.373 176.870 -0.901 0.000 1.014 498 L CA -0.502 53.934 54.840 -0.672 0.000 0.815 498 L CB 2.030 43.740 42.059 -0.581 0.000 1.268 498 L HN 0.786 nan 8.230 nan 0.000 0.428 499 A N 2.475 124.615 122.820 -1.134 0.000 2.594 499 A HA 0.837 5.183 4.320 0.043 0.000 0.295 499 A C -2.050 174.985 177.584 -0.915 0.000 1.071 499 A CA -0.529 51.049 52.037 -0.764 0.000 0.685 499 A CB 1.585 20.347 19.000 -0.396 0.000 1.285 499 A HN 0.681 nan 8.150 nan 0.000 0.405 500 W N 0.785 121.930 121.300 -0.259 0.000 3.083 500 W HA 0.536 5.221 4.660 0.042 0.000 0.333 500 W C -1.149 175.275 176.519 -0.158 0.000 1.217 500 W CA -0.267 56.906 57.345 -0.287 0.000 1.170 500 W CB 2.328 31.548 29.460 -0.399 0.000 1.437 500 W HN 1.035 nan 8.180 nan 0.000 0.557 501 D N -0.855 119.606 120.400 0.101 0.000 2.825 501 D HA 0.570 5.236 4.640 0.043 0.000 0.327 501 D C -1.844 174.539 176.300 0.138 0.000 1.277 501 D CA -0.639 53.441 54.000 0.134 0.000 0.950 501 D CB 2.006 42.847 40.800 0.067 0.000 1.438 501 D HN 0.140 nan 8.370 nan 0.000 0.526 502 V N -0.297 119.719 119.914 0.170 0.000 2.697 502 V HA 0.503 4.649 4.120 0.043 0.000 0.300 502 V C -1.788 174.401 176.094 0.158 0.000 1.115 502 V CA -0.476 61.933 62.300 0.183 0.000 0.912 502 V CB 1.693 33.693 31.823 0.295 0.000 1.024 502 V HN 0.571 nan 8.190 nan 0.000 0.431 503 V N 7.162 127.125 119.914 0.082 0.000 2.320 503 V HA 0.776 4.922 4.120 0.043 0.000 0.268 503 V C 0.494 176.581 176.094 -0.011 0.000 1.021 503 V CA 0.142 62.462 62.300 0.034 0.000 0.813 503 V CB 1.116 32.927 31.823 -0.021 0.000 1.054 503 V HN 1.114 nan 8.190 nan 0.000 0.444 504 A N 5.648 128.451 122.820 -0.029 0.000 2.312 504 A HA 0.851 5.197 4.320 0.043 0.000 0.328 504 A C -1.847 175.577 177.584 -0.267 0.000 1.158 504 A CA -1.626 50.300 52.037 -0.185 0.000 0.821 504 A CB 1.363 20.194 19.000 -0.281 0.000 1.170 504 A HN 0.534 nan 8.150 nan 0.000 0.490 505 P HA 0.152 nan 4.420 nan 0.000 0.222 505 P C 0.667 177.820 177.300 -0.246 0.000 1.153 505 P CA 1.511 64.332 63.100 -0.466 0.000 0.798 505 P CB 0.311 31.688 31.700 -0.538 0.000 0.796 506 G N -1.723 106.971 108.800 -0.176 0.000 2.441 506 G HA2 0.173 4.159 3.960 0.043 0.000 0.294 506 G HA3 0.173 4.159 3.960 0.043 0.000 0.294 506 G C -0.390 174.473 174.900 -0.062 0.000 1.393 506 G CA -0.244 44.810 45.100 -0.077 0.000 0.796 506 G HN -0.193 nan 8.290 nan 0.000 0.494 507 Q N 0.018 119.798 119.800 -0.035 0.000 2.119 507 Q HA 0.133 4.499 4.340 0.043 0.000 0.201 507 Q C 1.391 177.393 176.000 0.004 0.000 0.972 507 Q CA 1.917 57.669 55.803 -0.085 0.000 0.847 507 Q CB -0.119 28.529 28.738 -0.150 0.000 0.903 507 Q HN 0.616 nan 8.270 nan 0.000 0.433 508 S N -1.567 114.192 115.700 0.100 0.000 2.525 508 S HA 0.611 5.107 4.470 0.043 0.000 0.290 508 S C 0.500 175.209 174.600 0.181 0.000 1.152 508 S CA -0.295 58.014 58.200 0.181 0.000 1.072 508 S CB 1.366 64.723 63.200 0.261 0.000 1.027 508 S HN 0.403 nan 8.310 nan 0.000 0.500 509 G N 3.043 111.973 108.800 0.217 0.000 3.277 509 G HA2 0.185 4.170 3.960 0.043 0.000 0.243 509 G HA3 0.185 4.170 3.960 0.043 0.000 0.243 509 G C -0.068 175.045 174.900 0.355 0.000 1.107 509 G CA -0.371 44.869 45.100 0.232 0.000 0.771 509 G HN 0.624 nan 8.290 nan 0.000 0.544 510 F N 1.813 121.887 119.950 0.208 0.000 2.495 510 F HA 0.533 5.086 4.527 0.043 0.000 0.365 510 F C -0.050 175.803 175.800 0.088 0.000 1.090 510 F CA -0.802 57.278 58.000 0.134 0.000 1.235 510 F CB 0.502 39.558 39.000 0.094 0.000 1.119 510 F HN -0.147 nan 8.300 nan 0.000 0.562 511 I N 6.338 126.407 120.570 -0.834 0.000 2.447 511 I HA 0.417 4.613 4.170 0.043 0.000 0.287 511 I C -0.051 175.403 176.117 -1.106 0.000 1.023 511 I CA -0.998 59.854 61.300 -0.746 0.000 1.083 511 I CB 1.501 39.256 38.000 -0.409 0.000 1.245 511 I HN 0.761 nan 8.210 nan 0.000 0.434 512 A N 7.563 129.927 122.820 -0.759 0.000 2.327 512 A HA 0.418 4.764 4.320 0.043 0.000 0.255 512 A C -1.666 175.780 177.584 -0.229 0.000 1.099 512 A CA -0.892 50.910 52.037 -0.392 0.000 0.801 512 A CB -0.281 18.709 19.000 -0.017 0.000 1.062 512 A HN 0.583 nan 8.150 nan 0.000 0.496 513 P HA -0.168 nan 4.420 nan 0.000 0.216 513 P C 0.591 177.854 177.300 -0.062 0.000 1.150 513 P CA 1.731 64.793 63.100 -0.063 0.000 0.843 513 P CB -0.026 31.668 31.700 -0.010 0.000 0.787 514 D N -1.775 118.594 120.400 -0.051 0.000 2.363 514 D HA 0.042 4.708 4.640 0.043 0.000 0.226 514 D C 1.377 177.636 176.300 -0.068 0.000 1.020 514 D CA 0.779 54.751 54.000 -0.046 0.000 0.892 514 D CB -0.921 39.864 40.800 -0.026 0.000 0.900 514 D HN 0.263 nan 8.370 nan 0.000 0.531 515 G N -0.676 108.060 108.800 -0.106 0.000 2.176 515 G HA2 -0.248 3.738 3.960 0.043 0.000 0.232 515 G HA3 -0.248 3.738 3.960 0.043 0.000 0.232 515 G C 0.340 175.145 174.900 -0.158 0.000 0.986 515 G CA 0.192 45.214 45.100 -0.131 0.000 0.643 515 G HN 0.435 nan 8.290 nan 0.000 0.522 516 T N 2.191 116.665 114.554 -0.133 0.000 2.769 516 T HA 0.457 4.833 4.350 0.043 0.000 0.293 516 T C 0.980 175.571 174.700 -0.182 0.000 0.931 516 T CA 0.353 62.380 62.100 -0.122 0.000 1.139 516 T CB 1.494 70.331 68.868 -0.052 0.000 0.881 516 T HN 1.411 nan 8.240 nan 0.000 0.532 517 V N 1.541 121.305 119.914 -0.251 0.000 2.881 517 V HA 0.359 4.505 4.120 0.043 0.000 0.303 517 V C 0.380 176.404 176.094 -0.118 0.000 1.070 517 V CA -1.141 60.936 62.300 -0.371 0.000 1.074 517 V CB 0.798 32.137 31.823 -0.807 0.000 1.012 517 V HN 0.744 nan 8.190 nan 0.000 0.482 518 D N 2.424 122.844 120.400 0.033 0.000 2.400 518 D HA 0.086 4.752 4.640 0.043 0.000 0.238 518 D C 1.441 177.775 176.300 0.057 0.000 1.157 518 D CA 0.541 54.632 54.000 0.151 0.000 0.889 518 D CB 0.994 41.968 40.800 0.291 0.000 1.199 518 D HN 0.830 nan 8.370 nan 0.000 0.436 519 K N 0.999 121.367 120.400 -0.053 0.000 2.211 519 K HA -0.208 4.138 4.320 0.043 0.000 0.204 519 K C 0.438 176.829 176.600 -0.349 0.000 1.047 519 K CA 1.418 57.567 56.287 -0.231 0.000 0.935 519 K CB -0.270 32.016 32.500 -0.357 0.000 0.728 519 K HN 0.529 nan 8.250 nan 0.000 0.452 520 H N -1.167 117.974 119.070 0.118 0.000 2.472 520 H HA 0.112 4.693 4.556 0.042 0.000 0.287 520 H C 0.192 175.594 175.328 0.123 0.000 1.112 520 H CA -0.531 55.574 56.048 0.094 0.000 1.021 520 H CB 0.232 30.028 29.762 0.057 0.000 1.635 520 H HN 0.230 nan 8.280 nan 0.000 0.559 521 Y N 1.939 122.278 120.300 0.065 0.000 2.395 521 Y HA -0.069 4.509 4.550 0.046 0.000 0.293 521 Y C 1.271 177.172 175.900 0.002 0.000 1.123 521 Y CA 1.275 59.400 58.100 0.040 0.000 1.227 521 Y CB 0.745 39.218 38.460 0.021 0.000 1.012 521 Y HN 0.414 nan 8.280 nan 0.000 0.552 522 E N -1.539 118.716 120.200 0.092 0.000 2.858 522 E HA 0.050 4.426 4.350 0.043 0.000 0.195 522 E C 0.047 176.650 176.600 0.005 0.000 0.952 522 E CA 0.401 56.792 56.400 -0.014 0.000 1.294 522 E CB -0.418 29.332 29.700 0.083 0.000 1.048 522 E HN 0.402 nan 8.360 nan 0.000 0.485 523 D N 0.825 121.254 120.400 0.048 0.000 2.349 523 D HA -0.091 4.575 4.640 0.043 0.000 0.224 523 D C 1.289 177.617 176.300 0.046 0.000 1.029 523 D CA 0.185 54.225 54.000 0.067 0.000 0.879 523 D CB 0.313 41.190 40.800 0.129 0.000 0.906 523 D HN 0.293 nan 8.370 nan 0.000 0.528 524 Q N -0.466 119.338 119.800 0.007 0.000 2.189 524 Q HA 0.297 4.663 4.340 0.043 0.000 0.223 524 Q C 1.877 177.882 176.000 0.008 0.000 0.828 524 Q CA -0.228 55.585 55.803 0.017 0.000 0.967 524 Q CB 0.665 29.411 28.738 0.014 0.000 1.139 524 Q HN 0.210 nan 8.270 nan 0.000 0.497 525 L N 0.407 121.595 121.223 -0.058 0.000 2.017 525 L HA -0.217 4.149 4.340 0.043 0.000 0.208 525 L C 2.094 178.987 176.870 0.038 0.000 1.073 525 L CA 1.504 56.293 54.840 -0.085 0.000 0.745 525 L CB -0.176 41.787 42.059 -0.159 0.000 0.894 525 L HN 0.142 nan 8.230 nan 0.000 0.432 526 K N -0.651 119.769 120.400 0.033 0.000 2.097 526 K HA -0.185 4.161 4.320 0.043 0.000 0.205 526 K C 2.089 178.719 176.600 0.050 0.000 1.050 526 K CA 1.302 57.615 56.287 0.043 0.000 0.938 526 K CB -0.116 32.405 32.500 0.034 0.000 0.718 526 K HN 0.263 nan 8.250 nan 0.000 0.442 527 M N 0.064 119.702 119.600 0.063 0.000 2.117 527 M HA -0.237 4.269 4.480 0.043 0.000 0.262 527 M C 2.127 178.476 176.300 0.082 0.000 1.065 527 M CA 1.617 56.958 55.300 0.068 0.000 1.114 527 M CB -0.215 32.429 32.600 0.073 0.000 1.361 527 M HN 0.099 nan 8.290 nan 0.000 0.408 528 Y N 1.027 121.330 120.300 0.006 0.000 2.097 528 Y HA -0.326 4.245 4.550 0.036 0.000 0.282 528 Y C 2.337 178.155 175.900 -0.137 0.000 1.152 528 Y CA 2.578 60.680 58.100 0.003 0.000 1.136 528 Y CB -0.553 37.957 38.460 0.085 0.000 0.975 528 Y HN 0.422 nan 8.280 nan 0.000 0.498 529 E N 0.160 120.343 120.200 -0.028 0.000 2.118 529 E HA -0.266 4.109 4.350 0.043 0.000 0.195 529 E C 0.970 177.343 176.600 -0.378 0.000 0.992 529 E CA 1.537 57.820 56.400 -0.196 0.000 0.804 529 E CB -0.369 29.324 29.700 -0.011 0.000 0.741 529 E HN 0.706 nan 8.360 nan 0.000 0.458 530 N N -0.577 118.007 118.700 -0.194 0.000 2.295 530 N HA -0.026 4.740 4.740 0.043 0.000 0.221 530 N C -0.598 174.970 175.510 0.098 0.000 1.129 530 N CA -0.054 52.967 53.050 -0.048 0.000 0.836 530 N CB -0.448 38.068 38.487 0.049 0.000 1.040 530 N HN 0.190 nan 8.380 nan 0.000 0.494 531 F N -1.907 118.045 119.950 0.003 0.000 3.018 531 F HA -0.177 4.376 4.527 0.043 0.000 0.287 531 F C 1.167 177.117 175.800 0.250 0.000 0.813 531 F CA 0.436 58.497 58.000 0.101 0.000 1.209 531 F CB -1.771 37.286 39.000 0.095 0.000 1.321 531 F HN 0.296 nan 8.300 nan 0.000 0.477 532 G N 0.358 109.278 108.800 0.200 0.000 2.563 532 G HA2 0.748 4.734 3.960 0.043 0.000 0.283 532 G HA3 0.748 4.734 3.960 0.043 0.000 0.283 532 G C -0.134 174.799 174.900 0.055 0.000 1.309 532 G CA -0.269 44.875 45.100 0.074 0.000 1.022 532 G HN 0.488 nan 8.290 nan 0.000 0.501 533 R N -1.368 119.064 120.500 -0.113 0.000 2.687 533 R HA 0.466 4.832 4.340 0.043 0.000 0.265 533 R C -1.268 174.993 176.300 -0.065 0.000 1.048 533 R CA -1.073 54.953 56.100 -0.124 0.000 0.884 533 R CB 1.245 31.243 30.300 -0.503 0.000 1.258 533 R HN 0.691 nan 8.270 nan 0.000 0.469 534 K N 0.801 121.205 120.400 0.006 0.000 2.221 534 K HA 0.501 4.847 4.320 0.043 0.000 0.243 534 K C -0.732 175.818 176.600 -0.083 0.000 0.968 534 K CA -0.877 55.398 56.287 -0.019 0.000 0.846 534 K CB 2.076 34.542 32.500 -0.058 0.000 1.141 534 K HN 0.441 nan 8.250 nan 0.000 0.434 535 S N 1.579 117.071 115.700 -0.347 0.000 2.549 535 S HA 0.157 4.653 4.470 0.043 0.000 0.279 535 S C -0.094 173.862 174.600 -1.074 0.000 1.321 535 S CA -0.643 56.981 58.200 -0.960 0.000 1.054 535 S CB 0.055 62.294 63.200 -1.601 0.000 0.899 535 S HN 0.384 nan 8.310 nan 0.000 0.497 536 L N 3.463 124.133 121.223 -0.921 0.000 2.260 536 L HA 0.375 4.741 4.340 0.043 0.000 0.289 536 L C -0.602 175.866 176.870 -0.669 0.000 1.057 536 L CA -0.379 54.079 54.840 -0.637 0.000 0.811 536 L CB 0.521 42.376 42.059 -0.340 0.000 1.184 536 L HN 0.695 nan 8.230 nan 0.000 0.429 537 W N 4.193 125.399 121.300 -0.158 0.000 2.381 537 W HA 0.355 5.042 4.660 0.045 0.000 0.329 537 W C 0.538 177.020 176.519 -0.061 0.000 1.157 537 W CA -0.703 56.567 57.345 -0.126 0.000 1.240 537 W CB 1.299 30.695 29.460 -0.108 0.000 1.199 537 W HN 0.375 nan 8.180 nan 0.000 0.579 538 L N 1.549 122.910 121.223 0.230 0.000 2.638 538 L HA 0.203 4.569 4.340 0.043 0.000 0.195 538 L C 1.391 178.313 176.870 0.087 0.000 1.065 538 L CA 0.906 55.842 54.840 0.159 0.000 0.859 538 L CB -0.597 41.533 42.059 0.120 0.000 1.269 538 L HN 0.377 nan 8.230 nan 0.000 0.484 539 T N -2.282 112.312 114.554 0.066 0.000 2.860 539 T HA 0.098 4.474 4.350 0.043 0.000 0.299 539 T C 1.042 175.688 174.700 -0.090 0.000 1.045 539 T CA -0.213 61.880 62.100 -0.012 0.000 1.071 539 T CB 0.765 69.638 68.868 0.008 0.000 0.985 539 T HN 0.222 nan 8.240 nan 0.000 0.537 540 K N 0.869 121.198 120.400 -0.118 0.000 2.103 540 K HA -0.175 4.171 4.320 0.043 0.000 0.207 540 K C 2.553 179.087 176.600 -0.112 0.000 1.048 540 K CA 1.731 57.937 56.287 -0.136 0.000 0.930 540 K CB -0.164 32.274 32.500 -0.105 0.000 0.716 540 K HN 0.611 nan 8.250 nan 0.000 0.444 541 Q N 0.712 120.457 119.800 -0.091 0.000 2.119 541 Q HA -0.136 4.230 4.340 0.043 0.000 0.201 541 Q C 1.601 177.509 176.000 -0.153 0.000 0.972 541 Q CA 1.447 57.188 55.803 -0.104 0.000 0.847 541 Q CB 0.003 28.694 28.738 -0.078 0.000 0.903 541 Q HN 0.234 nan 8.270 nan 0.000 0.433 542 D N -0.598 119.713 120.400 -0.150 0.000 2.117 542 D HA -0.090 4.576 4.640 0.043 0.000 0.198 542 D C 1.849 177.919 176.300 -0.384 0.000 0.982 542 D CA 0.776 54.602 54.000 -0.291 0.000 0.828 542 D CB -0.059 40.645 40.800 -0.161 0.000 0.967 542 D HN 0.051 nan 8.370 nan 0.000 0.464 543 V N 0.916 120.710 119.914 -0.200 0.000 2.295 543 V HA -0.226 3.920 4.120 0.043 0.000 0.246 543 V C 2.437 178.437 176.094 -0.157 0.000 1.049 543 V CA 1.736 63.951 62.300 -0.142 0.000 1.024 543 V CB -0.402 31.382 31.823 -0.065 0.000 0.648 543 V HN 0.115 nan 8.190 nan 0.000 0.447 544 E N 0.988 121.096 120.200 -0.154 0.000 2.110 544 E HA -0.180 4.196 4.350 0.043 0.000 0.193 544 E C 2.049 178.528 176.600 -0.202 0.000 0.988 544 E CA 1.639 57.953 56.400 -0.142 0.000 0.804 544 E CB -0.469 29.159 29.700 -0.119 0.000 0.745 544 E HN 0.517 nan 8.360 nan 0.000 0.458 545 A N -0.252 122.391 122.820 -0.296 0.000 2.067 545 A HA -0.133 4.213 4.320 0.043 0.000 0.219 545 A C 1.271 178.438 177.584 -0.694 0.000 1.158 545 A CA 1.418 53.178 52.037 -0.462 0.000 0.661 545 A CB -0.470 18.211 19.000 -0.531 0.000 0.801 545 A HN 0.416 nan 8.150 nan 0.000 0.452 546 H N -1.147 117.709 119.070 -0.358 0.000 2.486 546 H HA 0.183 4.765 4.556 0.044 0.000 0.284 546 H C 0.000 175.256 175.328 -0.120 0.000 1.103 546 H CA -0.227 55.662 56.048 -0.266 0.000 1.089 546 H CB 0.055 29.555 29.762 -0.437 0.000 1.603 546 H HN 0.464 nan 8.280 nan 0.000 0.557 547 K N 2.025 122.386 120.400 -0.065 0.000 2.368 547 K HA -0.011 4.335 4.320 0.043 0.000 0.282 547 K C 1.029 177.632 176.600 0.005 0.000 1.035 547 K CA 0.010 56.286 56.287 -0.019 0.000 0.973 547 K CB 1.179 33.654 32.500 -0.043 0.000 0.957 547 K HN 0.276 nan 8.250 nan 0.000 0.474 548 E N 2.283 122.504 120.200 0.036 0.000 2.244 548 E HA -0.008 4.368 4.350 0.043 0.000 0.196 548 E C -0.568 176.058 176.600 0.042 0.000 0.939 548 E CA 0.190 56.622 56.400 0.054 0.000 0.884 548 E CB 0.429 30.192 29.700 0.105 0.000 0.850 548 E HN 0.685 nan 8.360 nan 0.000 0.481 549 S N -0.436 115.285 115.700 0.035 0.000 2.588 549 S HA 0.429 4.925 4.470 0.043 0.000 0.269 549 S C -1.219 173.390 174.600 0.015 0.000 1.157 549 S CA -1.006 57.209 58.200 0.025 0.000 0.824 549 S CB 1.757 64.978 63.200 0.036 0.000 1.126 549 S HN 0.235 nan 8.310 nan 0.000 0.464 550 Q N -0.056 119.748 119.800 0.008 0.000 2.435 550 Q HA 0.764 5.130 4.340 0.043 0.000 0.282 550 Q C -1.824 174.175 176.000 -0.002 0.000 1.020 550 Q CA -0.879 54.925 55.803 0.002 0.000 0.820 550 Q CB 1.949 30.684 28.738 -0.004 0.000 1.436 550 Q HN 0.738 nan 8.270 nan 0.000 0.395 551 E N 0.623 120.817 120.200 -0.009 0.000 2.340 551 E HA 0.600 4.976 4.350 0.043 0.000 0.273 551 E C -1.526 175.047 176.600 -0.044 0.000 0.891 551 E CA -1.048 55.340 56.400 -0.020 0.000 0.757 551 E CB 2.940 32.626 29.700 -0.022 0.000 1.231 551 E HN 0.394 nan 8.360 nan 0.000 0.439 552 V N 3.812 123.684 119.914 -0.070 0.000 2.407 552 V HA 0.370 4.516 4.120 0.043 0.000 0.291 552 V C -0.425 175.489 176.094 -0.300 0.000 1.018 552 V CA -0.649 61.552 62.300 -0.165 0.000 0.842 552 V CB 1.015 32.748 31.823 -0.149 0.000 0.996 552 V HN 0.488 nan 8.190 nan 0.000 0.426 553 L N 4.608 125.640 121.223 -0.319 0.000 2.334 553 L HA 0.639 5.005 4.340 0.043 0.000 0.275 553 L C -0.690 175.899 176.870 -0.469 0.000 1.036 553 L CA -0.707 53.961 54.840 -0.286 0.000 0.807 553 L CB 1.260 43.247 42.059 -0.119 0.000 1.231 553 L HN 0.671 nan 8.230 nan 0.000 0.438 554 H N 1.125 120.199 119.070 0.007 0.000 2.887 554 H HA 0.563 5.145 4.556 0.044 0.000 0.300 554 H C -1.120 174.212 175.328 0.006 0.000 1.038 554 H CA -0.483 55.569 56.048 0.007 0.000 1.352 554 H CB 1.555 31.321 29.762 0.006 0.000 1.473 554 H HN 0.201 nan 8.280 nan 0.000 0.503 555 V N 2.929 122.892 119.914 0.081 0.000 2.760 555 V HA 0.324 4.470 4.120 0.043 0.000 0.309 555 V C -0.438 175.681 176.094 0.042 0.000 1.077 555 V CA -0.949 61.380 62.300 0.049 0.000 0.910 555 V CB 2.265 34.101 31.823 0.021 0.000 1.008 555 V HN 0.682 nan 8.190 nan 0.000 0.424 556 Q N 2.423 122.243 119.800 0.034 0.000 2.316 556 Q HA 0.556 4.922 4.340 0.043 0.000 0.264 556 Q C -0.162 175.849 176.000 0.019 0.000 0.987 556 Q CA -0.598 55.221 55.803 0.027 0.000 0.852 556 Q CB 2.740 31.493 28.738 0.024 0.000 1.287 556 Q HN 0.671 nan 8.270 nan 0.000 0.448 557 R N 0.000 120.510 120.500 0.017 0.000 2.786 557 R HA 0.000 4.366 4.340 0.043 0.000 0.208 557 R CA 0.000 56.108 56.100 0.013 0.000 0.921 557 R CB 0.000 30.308 30.300 0.013 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535