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 1kec_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 RAWDGKELAS DATA SEQUENCE LLAWTHQMKA KNWQEWTQQA AKQALTINWY YADVNGNIGY VHTGAYPDRQ DATA SEQUENCE SGHDPRLPVP GTGKWDWKGL LPFEMNPKVY NPQSGYIANW NNSPQKDYPA 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 0.000 174.654 174.600 0.090 0.000 1.055 1 S CA 0.000 58.279 58.200 0.132 0.000 1.107 1 S CB 0.000 63.247 63.200 0.078 0.000 0.593 2 N N 0.872 119.413 118.700 -0.265 0.000 2.432 2 N HA 0.870 5.993 4.740 0.638 0.000 0.292 2 N C -1.009 174.295 175.510 -0.344 0.000 1.193 2 N CA -0.872 51.931 53.050 -0.411 0.000 0.878 2 N CB 1.711 39.647 38.487 -0.918 0.000 1.252 2 N HN 0.502 nan 8.380 nan 0.000 0.520 3 M N 0.658 120.093 119.600 -0.275 0.000 2.346 3 M HA 0.370 5.233 4.480 0.638 0.000 0.287 3 M C -2.558 173.651 176.300 -0.151 0.000 1.100 3 M CA -0.411 54.611 55.300 -0.463 0.000 0.950 3 M CB 1.306 33.500 32.600 -0.676 0.000 1.815 3 M HN 0.803 nan 8.290 nan 0.000 0.497 4 W N 4.176 125.344 121.300 -0.220 0.000 2.781 4 W HA 0.816 5.854 4.660 0.630 0.000 0.333 4 W C -2.041 174.440 176.519 -0.063 0.000 1.047 4 W CA -1.259 56.014 57.345 -0.120 0.000 1.236 4 W CB 0.678 30.062 29.460 -0.125 0.000 1.394 4 W HN 0.494 nan 8.180 nan 0.000 0.466 5 V N 5.161 125.174 119.914 0.165 0.000 2.384 5 V HA 0.428 4.931 4.120 0.638 0.000 0.287 5 V C -0.195 176.019 176.094 0.201 0.000 1.020 5 V CA -0.956 61.430 62.300 0.144 0.000 0.850 5 V CB 1.191 33.116 31.823 0.170 0.000 0.987 5 V HN 0.608 nan 8.190 nan 0.000 0.436 6 I N 4.190 124.862 120.570 0.171 0.000 2.330 6 I HA 0.585 5.138 4.170 0.638 0.000 0.289 6 I C 1.068 177.252 176.117 0.112 0.000 1.001 6 I CA 0.136 61.529 61.300 0.156 0.000 1.193 6 I CB 1.560 39.640 38.000 0.134 0.000 1.345 6 I HN 0.733 nan 8.210 nan 0.000 0.461 7 G N 4.091 112.946 108.800 0.092 0.000 2.563 7 G HA2 0.164 4.507 3.960 0.638 0.000 0.283 7 G HA3 0.164 4.507 3.960 0.638 0.000 0.283 7 G C 0.702 175.622 174.900 0.034 0.000 1.309 7 G CA -0.442 44.685 45.100 0.045 0.000 1.022 7 G HN 0.673 nan 8.290 nan 0.000 0.501 8 K N -0.742 119.663 120.400 0.009 0.000 2.113 8 K HA -0.177 4.526 4.320 0.638 0.000 0.208 8 K C 2.654 179.258 176.600 0.008 0.000 1.047 8 K CA 1.966 58.257 56.287 0.008 0.000 0.928 8 K CB -0.236 32.258 32.500 -0.009 0.000 0.716 8 K HN 0.482 nan 8.250 nan 0.000 0.446 9 S N -0.184 115.518 115.700 0.003 0.000 2.515 9 S HA -0.042 4.811 4.470 0.638 0.000 0.231 9 S C 1.343 175.953 174.600 0.016 0.000 0.987 9 S CA 0.776 58.980 58.200 0.005 0.000 0.936 9 S CB 0.109 63.309 63.200 -0.000 0.000 0.766 9 S HN 0.277 nan 8.310 nan 0.000 0.528 10 K N 0.297 120.714 120.400 0.028 0.000 2.477 10 K HA 0.431 5.133 4.320 0.638 0.000 0.208 10 K C 0.044 176.657 176.600 0.022 0.000 1.117 10 K CA 0.179 56.482 56.287 0.026 0.000 1.039 10 K CB 1.141 33.669 32.500 0.046 0.000 0.937 10 K HN 0.357 nan 8.250 nan 0.000 0.570 11 A N 1.640 124.478 122.820 0.030 0.000 2.328 11 A HA 0.288 4.991 4.320 0.638 0.000 0.284 11 A C -0.525 177.072 177.584 0.022 0.000 1.160 11 A CA -0.065 51.992 52.037 0.034 0.000 0.818 11 A CB 0.698 19.728 19.000 0.049 0.000 1.087 11 A HN 0.100 nan 8.150 nan 0.000 0.504 12 Q N 1.586 121.396 119.800 0.017 0.000 2.293 12 Q HA 0.415 5.137 4.340 0.638 0.000 0.261 12 Q C -0.622 175.388 176.000 0.016 0.000 0.960 12 Q CA 0.093 55.902 55.803 0.010 0.000 0.882 12 Q CB 0.801 29.538 28.738 -0.002 0.000 1.275 12 Q HN 0.736 nan 8.270 nan 0.000 0.445 13 D N 1.393 121.803 120.400 0.017 0.000 2.911 13 D HA -0.225 4.798 4.640 0.638 0.000 0.227 13 D C -0.879 175.441 176.300 0.034 0.000 1.164 13 D CA 1.404 55.417 54.000 0.022 0.000 0.782 13 D CB -1.329 39.482 40.800 0.018 0.000 1.094 13 D HN 0.635 nan 8.370 nan 0.000 0.425 14 A N -1.251 121.592 122.820 0.039 0.000 2.540 14 A HA 0.556 5.259 4.320 0.638 0.000 0.291 14 A C 0.266 177.885 177.584 0.057 0.000 1.083 14 A CA -0.562 51.508 52.037 0.055 0.000 0.650 14 A CB 1.007 20.045 19.000 0.063 0.000 1.292 14 A HN -0.098 nan 8.150 nan 0.000 0.435 15 K N -0.559 119.888 120.400 0.079 0.000 2.335 15 K HA 0.537 5.240 4.320 0.638 0.000 0.195 15 K C 0.325 176.973 176.600 0.079 0.000 1.058 15 K CA 1.118 57.444 56.287 0.066 0.000 0.988 15 K CB 0.996 33.528 32.500 0.052 0.000 0.880 15 K HN 1.011 nan 8.250 nan 0.000 0.513 16 A N 1.216 124.116 122.820 0.132 0.000 2.566 16 A HA 0.636 5.339 4.320 0.638 0.000 0.297 16 A C -1.568 176.107 177.584 0.151 0.000 1.059 16 A CA -0.707 51.418 52.037 0.147 0.000 0.691 16 A CB 1.123 20.222 19.000 0.164 0.000 1.282 16 A HN 0.098 nan 8.150 nan 0.000 0.401 17 I N 1.963 122.600 120.570 0.113 0.000 2.499 17 I HA 0.534 5.087 4.170 0.638 0.000 0.288 17 I C -0.373 175.774 176.117 0.049 0.000 1.048 17 I CA -0.242 61.102 61.300 0.074 0.000 1.062 17 I CB 2.169 40.221 38.000 0.086 0.000 1.238 17 I HN 0.787 nan 8.210 nan 0.000 0.426 18 M N 7.438 127.028 119.600 -0.016 0.000 2.253 18 M HA 0.681 5.544 4.480 0.638 0.000 0.314 18 M C -1.989 174.194 176.300 -0.195 0.000 1.019 18 M CA -0.555 54.695 55.300 -0.083 0.000 0.932 18 M CB 1.735 34.310 32.600 -0.041 0.000 1.606 18 M HN 0.363 nan 8.290 nan 0.000 0.430 19 V N 4.960 124.598 119.914 -0.460 0.000 2.482 19 V HA 0.442 4.945 4.120 0.638 0.000 0.295 19 V C -0.898 174.634 176.094 -0.936 0.000 1.026 19 V CA -0.689 61.187 62.300 -0.707 0.000 0.856 19 V CB 1.663 32.851 31.823 -1.058 0.000 1.001 19 V HN 0.961 nan 8.190 nan 0.000 0.424 20 N N 2.675 121.024 118.700 -0.585 0.000 2.321 20 N HA 0.731 5.854 4.740 0.638 0.000 0.299 20 N C -0.063 175.156 175.510 -0.485 0.000 1.048 20 N CA -0.397 52.370 53.050 -0.471 0.000 0.836 20 N CB 1.913 40.297 38.487 -0.170 0.000 1.269 20 N HN 0.882 nan 8.380 nan 0.000 0.486 21 G N 3.215 111.739 108.800 -0.459 0.000 4.040 21 G HA2 0.268 4.611 3.960 0.638 0.000 0.328 21 G HA3 0.268 4.611 3.960 0.638 0.000 0.328 21 G C -2.856 171.858 174.900 -0.310 0.000 1.503 21 G CA -0.875 43.997 45.100 -0.380 0.000 0.909 21 G HN 0.393 nan 8.290 nan 0.000 0.495 22 P HA 0.104 nan 4.420 nan 0.000 0.271 22 P C -0.508 176.451 177.300 -0.569 0.000 1.226 22 P CA 0.178 63.022 63.100 -0.426 0.000 0.765 22 P CB 1.526 32.979 31.700 -0.411 0.000 0.835 23 Q N 2.685 122.166 119.800 -0.533 0.000 2.655 23 Q HA 0.248 4.971 4.340 0.638 0.000 0.228 23 Q C -0.184 175.504 176.000 -0.520 0.000 1.186 23 Q CA -0.302 55.229 55.803 -0.453 0.000 1.004 23 Q CB 0.095 28.745 28.738 -0.147 0.000 1.242 23 Q HN 0.458 nan 8.270 nan 0.000 0.558 24 F N 0.470 120.136 119.950 -0.472 0.000 2.765 24 F HA 0.248 5.171 4.527 0.661 0.000 0.302 24 F C 1.435 176.943 175.800 -0.486 0.000 1.111 24 F CA 0.473 58.120 58.000 -0.588 0.000 1.359 24 F CB 0.449 38.740 39.000 -1.181 0.000 1.097 24 F HN 0.599 nan 8.300 nan 0.000 0.577 25 G N -0.730 107.753 108.800 -0.529 0.000 2.631 25 G HA2 -0.181 4.162 3.960 0.638 0.000 0.504 25 G HA3 -0.181 4.162 3.960 0.638 0.000 0.504 25 G C -1.193 173.137 174.900 -0.950 0.000 1.306 25 G CA -1.069 43.699 45.100 -0.553 0.000 0.897 25 G HN 0.086 nan 8.290 nan 0.000 0.520 26 W N -0.101 120.699 121.300 -0.832 0.000 2.683 26 W HA 0.662 5.714 4.660 0.655 0.000 0.329 26 W C -0.920 175.034 176.519 -0.942 0.000 1.037 26 W CA -0.643 56.231 57.345 -0.784 0.000 1.232 26 W CB 1.902 30.812 29.460 -0.917 0.000 1.390 26 W HN 0.582 nan 8.180 nan 0.000 0.465 27 Y N 0.599 121.076 120.300 0.295 0.000 2.609 27 Y HA 0.677 5.602 4.550 0.625 0.000 0.342 27 Y C -0.165 175.917 175.900 0.304 0.000 1.058 27 Y CA -1.414 56.862 58.100 0.294 0.000 1.055 27 Y CB 1.767 40.373 38.460 0.242 0.000 1.292 27 Y HN 0.353 nan 8.280 nan 0.000 0.476 28 A N 2.676 125.710 122.820 0.357 0.000 2.359 28 A HA 0.740 5.443 4.320 0.638 0.000 0.303 28 A C -2.951 174.709 177.584 0.127 0.000 1.066 28 A CA -1.904 50.228 52.037 0.160 0.000 0.730 28 A CB 1.172 20.230 19.000 0.097 0.000 1.211 28 A HN 0.366 nan 8.150 nan 0.000 0.439 29 P HA 0.331 nan 4.420 nan 0.000 0.275 29 P C 0.371 177.700 177.300 0.048 0.000 1.270 29 P CA -0.022 63.070 63.100 -0.014 0.000 0.791 29 P CB 0.537 32.224 31.700 -0.022 0.000 1.089 30 A N -0.132 122.696 122.820 0.013 0.000 2.587 30 A HA -0.150 4.553 4.320 0.638 0.000 0.233 30 A C 1.119 178.711 177.584 0.013 0.000 1.049 30 A CA 0.217 52.289 52.037 0.059 0.000 0.754 30 A CB -1.053 17.953 19.000 0.010 0.000 0.977 30 A HN 0.664 nan 8.150 nan 0.000 0.509 31 Y N 2.226 122.489 120.300 -0.061 0.000 2.242 31 Y HA -0.058 4.884 4.550 0.655 0.000 0.291 31 Y C 1.812 177.475 175.900 -0.394 0.000 1.137 31 Y CA 2.160 60.094 58.100 -0.276 0.000 1.181 31 Y CB 0.001 38.366 38.460 -0.159 0.000 0.989 31 Y HN 0.811 nan 8.280 nan 0.000 0.527 32 T N -2.704 111.804 114.554 -0.076 0.000 2.937 32 T HA 0.335 5.068 4.350 0.638 0.000 0.283 32 T C -1.540 173.147 174.700 -0.022 0.000 1.012 32 T CA -0.616 61.424 62.100 -0.100 0.000 0.997 32 T CB 1.794 70.698 68.868 0.061 0.000 1.136 32 T HN 0.106 nan 8.240 nan 0.000 0.551 33 Y N -0.142 120.074 120.300 -0.140 0.000 2.346 33 Y HA 0.574 5.505 4.550 0.636 0.000 0.332 33 Y C 0.156 176.021 175.900 -0.058 0.000 0.985 33 Y CA -0.719 57.317 58.100 -0.106 0.000 1.112 33 Y CB 1.436 39.815 38.460 -0.135 0.000 1.170 33 Y HN 1.127 nan 8.280 nan 0.000 0.447 34 G N 5.483 113.996 108.800 -0.479 0.000 2.403 34 G HA2 0.475 4.818 3.960 0.638 0.000 0.259 34 G HA3 0.475 4.818 3.960 0.638 0.000 0.259 34 G C -1.543 173.131 174.900 -0.375 0.000 1.244 34 G CA -0.152 44.749 45.100 -0.331 0.000 0.849 34 G HN 0.667 nan 8.290 nan 0.000 0.532 35 I N 0.849 121.345 120.570 -0.123 0.000 2.842 35 I HA 0.705 5.258 4.170 0.638 0.000 0.297 35 I C -0.244 175.855 176.117 -0.030 0.000 1.380 35 I CA -0.519 60.764 61.300 -0.028 0.000 1.018 35 I CB 2.211 40.286 38.000 0.125 0.000 1.311 35 I HN 0.743 nan 8.210 nan 0.000 0.439 36 G N 6.863 115.647 108.800 -0.026 0.000 2.566 36 G HA2 0.707 5.050 3.960 0.638 0.000 0.311 36 G HA3 0.707 5.050 3.960 0.638 0.000 0.311 36 G C -1.880 172.870 174.900 -0.251 0.000 1.322 36 G CA -0.611 44.432 45.100 -0.095 0.000 0.969 36 G HN 0.612 nan 8.290 nan 0.000 0.490 37 L N 2.723 123.633 121.223 -0.521 0.000 2.381 37 L HA 0.525 5.248 4.340 0.638 0.000 0.274 37 L C -0.895 175.604 176.870 -0.619 0.000 0.988 37 L CA -0.980 53.619 54.840 -0.402 0.000 0.824 37 L CB 2.275 44.203 42.059 -0.218 0.000 1.263 37 L HN 0.490 nan 8.230 nan 0.000 0.410 38 H N 2.787 121.911 119.070 0.090 0.000 3.092 38 H HA 0.674 5.613 4.556 0.639 0.000 0.308 38 H C -0.022 175.365 175.328 0.098 0.000 1.047 38 H CA -0.545 55.562 56.048 0.099 0.000 1.466 38 H CB 2.002 31.805 29.762 0.068 0.000 1.597 38 H HN 0.842 nan 8.280 nan 0.000 0.512 39 G N 0.354 109.277 108.800 0.206 0.000 2.347 39 G HA2 0.365 4.708 3.960 0.638 0.000 0.321 39 G HA3 0.365 4.708 3.960 0.638 0.000 0.321 39 G C -0.172 174.842 174.900 0.188 0.000 1.412 39 G CA -0.306 44.891 45.100 0.161 0.000 0.990 39 G HN 0.963 nan 8.290 nan 0.000 0.637 40 A N -1.259 121.641 122.820 0.134 0.000 2.799 40 A HA 0.362 5.065 4.320 0.638 0.000 0.287 40 A C 2.520 180.143 177.584 0.065 0.000 1.484 40 A CA 2.240 54.355 52.037 0.130 0.000 0.813 40 A CB -1.524 17.593 19.000 0.194 0.000 1.009 40 A HN 3.257 nan 8.150 nan 0.000 0.545 41 G N -4.064 104.736 108.800 -0.001 0.000 2.195 41 G HA2 -0.266 4.077 3.960 0.638 0.000 0.246 41 G HA3 -0.266 4.077 3.960 0.638 0.000 0.246 41 G C 0.008 174.756 174.900 -0.253 0.000 0.984 41 G CA 0.715 45.723 45.100 -0.152 0.000 0.633 41 G HN 1.484 nan 8.290 nan 0.000 0.525 42 Y N 0.371 120.710 120.300 0.066 0.000 2.419 42 Y HA 0.648 5.581 4.550 0.638 0.000 0.328 42 Y C 0.152 176.093 175.900 0.069 0.000 1.162 42 Y CA -0.741 57.396 58.100 0.061 0.000 1.174 42 Y CB 1.915 40.390 38.460 0.025 0.000 1.228 42 Y HN 0.039 nan 8.280 nan 0.000 0.473 43 D N 1.638 122.184 120.400 0.244 0.000 2.474 43 D HA 0.374 5.397 4.640 0.638 0.000 0.234 43 D C -1.734 174.665 176.300 0.166 0.000 1.323 43 D CA -0.130 53.997 54.000 0.212 0.000 0.915 43 D CB 0.483 41.427 40.800 0.239 0.000 1.487 43 D HN 0.399 nan 8.370 nan 0.000 0.524 44 V N -0.285 119.636 119.914 0.011 0.000 3.159 44 V HA 0.975 5.478 4.120 0.638 0.000 0.308 44 V C -0.830 175.196 176.094 -0.114 0.000 1.190 44 V CA -0.472 61.847 62.300 0.032 0.000 1.037 44 V CB 2.041 34.016 31.823 0.253 0.000 1.060 44 V HN 0.290 nan 8.190 nan 0.000 0.437 45 T N 0.319 114.759 114.554 -0.190 0.000 2.894 45 T HA 0.908 5.641 4.350 0.638 0.000 0.309 45 T C -0.209 174.380 174.700 -0.185 0.000 1.208 45 T CA 0.697 62.687 62.100 -0.184 0.000 1.016 45 T CB 1.147 69.888 68.868 -0.211 0.000 1.192 45 T HN 2.611 nan 8.240 nan 0.000 0.491 46 G N 2.856 111.597 108.800 -0.097 0.000 2.373 46 G HA2 0.362 4.705 3.960 0.638 0.000 0.250 46 G HA3 0.362 4.705 3.960 0.638 0.000 0.250 46 G C -1.787 173.123 174.900 0.016 0.000 1.304 46 G CA -0.057 45.020 45.100 -0.038 0.000 0.948 46 G HN 1.330 nan 8.290 nan 0.000 0.474 47 N N -1.817 116.953 118.700 0.116 0.000 2.494 47 N HA 0.749 5.871 4.740 0.638 0.000 0.270 47 N C -1.006 174.655 175.510 0.252 0.000 1.285 47 N CA 0.005 53.128 53.050 0.121 0.000 0.812 47 N CB 2.498 41.022 38.487 0.061 0.000 1.557 47 N HN 0.813 nan 8.380 nan 0.000 0.487 48 T N -0.332 114.313 114.554 0.153 0.000 2.932 48 T HA 0.535 5.268 4.350 0.638 0.000 0.318 48 T C -3.110 171.483 174.700 -0.178 0.000 1.265 48 T CA -1.360 60.775 62.100 0.058 0.000 1.036 48 T CB 1.415 70.266 68.868 -0.029 0.000 1.209 48 T HN 0.438 nan 8.240 nan 0.000 0.484 49 P HA 0.339 nan 4.420 nan 0.000 0.267 49 P C -0.081 176.608 177.300 -1.018 0.000 1.205 49 P CA 0.205 62.841 63.100 -0.773 0.000 0.765 49 P CB -0.278 30.985 31.700 -0.727 0.000 0.828 50 F N 1.468 120.931 119.950 -0.811 0.000 3.100 50 F HA -0.286 4.618 4.527 0.629 0.000 0.284 50 F C 1.238 176.747 175.800 -0.485 0.000 0.875 50 F CA 0.915 58.565 58.000 -0.585 0.000 1.039 50 F CB -2.456 36.258 39.000 -0.475 0.000 1.111 50 F HN 0.559 nan 8.300 nan 0.000 0.575 51 A N -2.279 120.344 122.820 -0.327 0.000 2.687 51 A HA -0.246 4.457 4.320 0.638 0.000 0.299 51 A C 0.455 177.959 177.584 -0.133 0.000 1.497 51 A CA 0.818 52.710 52.037 -0.242 0.000 0.751 51 A CB -2.361 16.365 19.000 -0.457 0.000 1.048 51 A HN 0.539 nan 8.150 nan 0.000 0.464 52 Y N -1.610 118.630 120.300 -0.100 0.000 2.683 52 Y HA 0.200 5.128 4.550 0.631 0.000 0.340 52 Y C -0.428 175.392 175.900 -0.134 0.000 1.245 52 Y CA -0.738 57.280 58.100 -0.137 0.000 1.485 52 Y CB -0.432 37.899 38.460 -0.216 0.000 1.328 52 Y HN 0.205 nan 8.280 nan 0.000 0.603 53 P HA -0.110 nan 4.420 nan 0.000 0.216 53 P C 0.405 177.655 177.300 -0.083 0.000 1.150 53 P CA 1.788 64.852 63.100 -0.060 0.000 0.843 53 P CB 0.208 31.858 31.700 -0.084 0.000 0.787 54 G N -0.140 108.633 108.800 -0.045 0.000 2.322 54 G HA2 0.427 4.770 3.960 0.638 0.000 0.309 54 G HA3 0.427 4.770 3.960 0.638 0.000 0.309 54 G C -0.858 174.015 174.900 -0.044 0.000 1.121 54 G CA -0.315 44.756 45.100 -0.048 0.000 0.886 54 G HN -0.070 nan 8.290 nan 0.000 0.447 55 L N 2.982 124.225 121.223 0.033 0.000 2.369 55 L HA 0.098 4.821 4.340 0.638 0.000 0.279 55 L C 1.535 178.494 176.870 0.148 0.000 1.108 55 L CA 0.137 55.054 54.840 0.127 0.000 0.852 55 L CB 1.439 43.679 42.059 0.303 0.000 1.169 55 L HN 0.348 nan 8.230 nan 0.000 0.452 56 V N 3.384 123.213 119.914 -0.141 0.000 2.719 56 V HA -0.058 4.445 4.120 0.638 0.000 0.252 56 V C 0.134 176.017 176.094 -0.352 0.000 1.065 56 V CA 1.090 63.159 62.300 -0.386 0.000 1.086 56 V CB -0.635 30.634 31.823 -0.922 0.000 0.700 56 V HN 0.491 nan 8.190 nan 0.000 0.467 57 F N -0.159 119.989 119.950 0.331 0.000 2.577 57 F HA 0.782 5.685 4.527 0.625 0.000 0.344 57 F C 0.439 176.224 175.800 -0.025 0.000 1.145 57 F CA -0.419 57.673 58.000 0.154 0.000 0.996 57 F CB 1.526 40.594 39.000 0.112 0.000 1.248 57 F HN 0.009 nan 8.300 nan 0.000 0.447 58 G N 1.631 110.234 108.800 -0.329 0.000 2.430 58 G HA2 0.516 4.859 3.960 0.638 0.000 0.300 58 G HA3 0.516 4.859 3.960 0.638 0.000 0.300 58 G C -2.155 171.948 174.900 -1.328 0.000 1.330 58 G CA -0.762 44.009 45.100 -0.548 0.000 0.813 58 G HN 0.866 nan 8.290 nan 0.000 0.487 59 H N -1.438 117.042 119.070 -0.983 0.000 2.990 59 H HA 0.546 5.484 4.556 0.637 0.000 0.336 59 H C -0.811 174.362 175.328 -0.258 0.000 1.306 59 H CA -0.349 55.156 56.048 -0.905 0.000 1.118 59 H CB 1.788 31.241 29.762 -0.514 0.000 1.856 59 H HN 0.623 nan 8.280 nan 0.000 0.538 60 N N -0.602 118.214 118.700 0.194 0.000 2.241 60 N HA 0.197 5.320 4.740 0.638 0.000 0.238 60 N C 1.160 176.880 175.510 0.349 0.000 1.244 60 N CA 0.259 53.480 53.050 0.284 0.000 0.880 60 N CB 0.881 39.624 38.487 0.427 0.000 1.179 60 N HN 1.060 nan 8.380 nan 0.000 0.513 61 G N -0.865 108.283 108.800 0.580 0.000 2.225 61 G HA2 -0.320 4.023 3.960 0.638 0.000 0.254 61 G HA3 -0.320 4.023 3.960 0.638 0.000 0.254 61 G C 0.556 175.684 174.900 0.381 0.000 0.988 61 G CA 0.606 45.963 45.100 0.428 0.000 0.625 61 G HN 0.288 nan 8.290 nan 0.000 0.527 62 V N 0.593 120.702 119.914 0.325 0.000 2.948 62 V HA 0.484 4.987 4.120 0.638 0.000 0.234 62 V C 1.180 177.214 176.094 -0.100 0.000 1.205 62 V CA 1.565 63.938 62.300 0.121 0.000 1.234 62 V CB 0.202 32.098 31.823 0.121 0.000 1.020 62 V HN 0.804 nan 8.190 nan 0.000 0.491 63 I N -1.025 119.608 120.570 0.104 0.000 3.108 63 I HA 0.883 5.436 4.170 0.638 0.000 0.312 63 I C -0.512 175.766 176.117 0.267 0.000 1.095 63 I CA -0.474 60.786 61.300 -0.065 0.000 1.000 63 I CB 2.433 40.324 38.000 -0.182 0.000 1.229 63 I HN 0.163 nan 8.210 nan 0.000 0.454 64 S N 1.407 117.172 115.700 0.107 0.000 2.627 64 S HA 0.859 5.712 4.470 0.638 0.000 0.283 64 S C -1.498 173.109 174.600 0.012 0.000 1.127 64 S CA -0.614 57.537 58.200 -0.083 0.000 0.863 64 S CB 1.450 64.597 63.200 -0.087 0.000 1.121 64 S HN 1.045 nan 8.310 nan 0.000 0.479 65 W N -0.452 120.903 121.300 0.093 0.000 3.075 65 W HA 0.914 5.954 4.660 0.633 0.000 0.334 65 W C -0.351 176.296 176.519 0.213 0.000 1.243 65 W CA -0.669 56.755 57.345 0.131 0.000 1.170 65 W CB 0.805 30.360 29.460 0.158 0.000 1.452 65 W HN 1.097 nan 8.180 nan 0.000 0.572 66 G N 0.024 109.165 108.800 0.567 0.000 2.600 66 G HA2 0.654 4.997 3.960 0.638 0.000 0.293 66 G HA3 0.654 4.997 3.960 0.638 0.000 0.293 66 G C -1.762 173.552 174.900 0.691 0.000 1.408 66 G CA -0.975 44.461 45.100 0.559 0.000 0.782 66 G HN 0.671 nan 8.290 nan 0.000 0.482 67 S N -1.397 114.737 115.700 0.723 0.000 2.570 67 S HA 0.892 5.745 4.470 0.638 0.000 0.270 67 S C -0.752 174.291 174.600 0.739 0.000 1.149 67 S CA -0.167 58.514 58.200 0.802 0.000 0.837 67 S CB 2.047 65.682 63.200 0.724 0.000 1.124 67 S HN 1.548 nan 8.310 nan 0.000 0.465 68 T N -1.223 113.774 114.554 0.738 0.000 2.923 68 T HA 0.790 5.523 4.350 0.638 0.000 0.311 68 T C -0.487 174.523 174.700 0.517 0.000 1.183 68 T CA -0.737 61.694 62.100 0.552 0.000 1.020 68 T CB 1.340 70.535 68.868 0.545 0.000 1.165 68 T HN 0.896 nan 8.240 nan 0.000 0.482 69 A N 1.145 124.223 122.820 0.430 0.000 2.511 69 A HA 0.568 5.271 4.320 0.638 0.000 0.242 69 A C 1.520 179.390 177.584 0.477 0.000 1.069 69 A CA 0.171 52.398 52.037 0.316 0.000 0.763 69 A CB -0.382 18.691 19.000 0.123 0.000 1.001 69 A HN 1.375 nan 8.150 nan 0.000 0.498 70 G N 0.540 109.545 108.800 0.342 0.000 2.408 70 G HA2 0.188 4.531 3.960 0.638 0.000 0.215 70 G HA3 0.188 4.531 3.960 0.638 0.000 0.215 70 G C 0.433 175.845 174.900 0.853 0.000 1.156 70 G CA 0.474 45.924 45.100 0.585 0.000 0.793 70 G HN 0.898 nan 8.290 nan 0.000 0.535 71 F N 0.020 120.188 119.950 0.363 0.000 3.091 71 F HA -0.172 4.462 4.527 0.179 0.000 0.288 71 F C 1.507 177.413 175.800 0.177 0.000 0.907 71 F CA -0.049 58.004 58.000 0.089 0.000 1.028 71 F CB -1.512 37.342 39.000 -0.244 0.000 1.022 71 F HN 0.325 nan 8.300 nan 0.000 0.665 72 G N -0.157 108.998 108.800 0.591 0.000 2.580 72 G HA2 0.372 4.715 3.960 0.638 0.000 0.278 72 G HA3 0.372 4.715 3.960 0.638 0.000 0.278 72 G C -0.717 174.386 174.900 0.338 0.000 1.212 72 G CA -0.303 45.174 45.100 0.630 0.000 0.939 72 G HN 0.171 nan 8.290 nan 0.000 0.513 73 D N 0.017 120.548 120.400 0.219 0.000 2.441 73 D HA 0.163 5.186 4.640 0.638 0.000 0.221 73 D C 0.104 176.544 176.300 0.233 0.000 1.156 73 D CA -0.588 53.495 54.000 0.139 0.000 0.896 73 D CB 0.791 41.601 40.800 0.017 0.000 1.028 73 D HN 0.322 nan 8.370 nan 0.000 0.509 74 D N 1.983 122.518 120.400 0.226 0.000 2.501 74 D HA 0.061 5.084 4.640 0.638 0.000 0.224 74 D C -0.333 176.074 176.300 0.177 0.000 1.202 74 D CA -0.275 53.812 54.000 0.146 0.000 0.829 74 D CB 0.115 40.940 40.800 0.042 0.000 1.023 74 D HN 0.041 nan 8.370 nan 0.000 0.499 75 V N 0.782 120.823 119.914 0.211 0.000 2.525 75 V HA 0.395 4.898 4.120 0.638 0.000 0.299 75 V C -0.917 175.344 176.094 0.278 0.000 1.034 75 V CA -0.789 61.662 62.300 0.252 0.000 0.863 75 V CB 2.117 34.043 31.823 0.173 0.000 0.999 75 V HN -0.035 nan 8.190 nan 0.000 0.423 76 D N 3.289 123.931 120.400 0.402 0.000 2.423 76 D HA 0.643 5.666 4.640 0.638 0.000 0.235 76 D C -0.629 175.755 176.300 0.139 0.000 1.011 76 D CA -0.366 53.805 54.000 0.284 0.000 0.963 76 D CB 2.838 43.908 40.800 0.450 0.000 1.349 76 D HN 0.318 nan 8.370 nan 0.000 0.508 77 I N 1.082 121.649 120.570 -0.004 0.000 2.378 77 I HA 0.298 4.851 4.170 0.638 0.000 0.291 77 I C -0.752 175.277 176.117 -0.145 0.000 0.992 77 I CA -0.685 60.627 61.300 0.020 0.000 1.154 77 I CB 1.014 39.041 38.000 0.044 0.000 1.315 77 I HN 0.058 nan 8.210 nan 0.000 0.448 78 F N 4.339 124.227 119.950 -0.103 0.000 2.404 78 F HA 0.462 5.371 4.527 0.637 0.000 0.354 78 F C 0.710 176.435 175.800 -0.124 0.000 1.122 78 F CA -0.594 57.263 58.000 -0.239 0.000 1.080 78 F CB 1.619 40.207 39.000 -0.687 0.000 1.131 78 F HN 0.447 nan 8.300 nan 0.000 0.471 79 A N 4.241 127.047 122.820 -0.024 0.000 2.437 79 A HA 0.315 5.018 4.320 0.638 0.000 0.303 79 A C 0.129 177.622 177.584 -0.152 0.000 1.324 79 A CA -0.649 51.233 52.037 -0.257 0.000 0.983 79 A CB -0.429 18.420 19.000 -0.252 0.000 1.142 79 A HN 0.587 nan 8.150 nan 0.000 0.541 80 E N 1.495 121.607 120.200 -0.147 0.000 2.373 80 E HA 0.086 4.819 4.350 0.638 0.000 0.267 80 E C 0.100 176.693 176.600 -0.012 0.000 1.032 80 E CA -0.121 56.267 56.400 -0.020 0.000 0.889 80 E CB 1.060 30.722 29.700 -0.065 0.000 0.984 80 E HN 0.639 nan 8.360 nan 0.000 0.425 81 R N 3.376 123.926 120.500 0.085 0.000 2.229 81 R HA 0.335 5.058 4.340 0.638 0.000 0.328 81 R C -0.337 176.104 176.300 0.236 0.000 1.009 81 R CA -0.287 55.873 56.100 0.099 0.000 0.864 81 R CB 0.232 30.568 30.300 0.059 0.000 1.085 81 R HN 0.403 nan 8.270 nan 0.000 0.453 82 L N 1.506 122.863 121.223 0.224 0.000 2.421 82 L HA 0.611 5.334 4.340 0.638 0.000 0.267 82 L C -0.028 177.023 176.870 0.301 0.000 1.036 82 L CA -1.031 53.987 54.840 0.296 0.000 0.829 82 L CB 1.705 43.829 42.059 0.108 0.000 1.437 82 L HN 0.582 nan 8.230 nan 0.000 0.488 83 S N -1.476 114.290 115.700 0.110 0.000 2.562 83 S HA 0.526 5.379 4.470 0.638 0.000 0.274 83 S C 0.214 174.740 174.600 -0.123 0.000 1.160 83 S CA -0.004 58.151 58.200 -0.076 0.000 0.933 83 S CB 1.741 64.682 63.200 -0.432 0.000 1.100 83 S HN 0.702 nan 8.310 nan 0.000 0.468 84 A N 3.293 126.058 122.820 -0.091 0.000 2.019 84 A HA -0.005 4.698 4.320 0.638 0.000 0.219 84 A C 1.632 179.146 177.584 -0.117 0.000 1.164 84 A CA 1.378 53.365 52.037 -0.082 0.000 0.644 84 A CB -0.392 18.575 19.000 -0.055 0.000 0.805 84 A HN 0.809 nan 8.150 nan 0.000 0.449 85 E N 0.310 120.403 120.200 -0.179 0.000 2.371 85 E HA -0.027 4.706 4.350 0.638 0.000 0.194 85 E C -0.006 176.436 176.600 -0.263 0.000 1.012 85 E CA 0.630 56.906 56.400 -0.207 0.000 0.860 85 E CB 0.060 29.622 29.700 -0.231 0.000 0.811 85 E HN 0.622 nan 8.360 nan 0.000 0.502 86 K N 1.494 121.705 120.400 -0.314 0.000 2.877 86 K HA 0.297 5.000 4.320 0.638 0.000 0.176 86 K C -2.679 173.902 176.600 -0.032 0.000 1.075 86 K CA -1.690 54.416 56.287 -0.302 0.000 0.939 86 K CB 1.426 33.552 32.500 -0.624 0.000 1.237 86 K HN -0.080 nan 8.250 nan 0.000 0.607 87 P HA -0.033 nan 4.420 nan 0.000 0.264 87 P C 0.826 178.213 177.300 0.144 0.000 1.193 87 P CA 1.045 64.159 63.100 0.023 0.000 0.763 87 P CB 0.703 32.409 31.700 0.010 0.000 0.810 88 G N 1.279 110.074 108.800 -0.008 0.000 2.176 88 G HA2 -0.227 4.116 3.960 0.638 0.000 0.253 88 G HA3 -0.227 4.116 3.960 0.638 0.000 0.253 88 G C -0.439 174.515 174.900 0.090 0.000 0.979 88 G CA -0.169 44.956 45.100 0.042 0.000 0.641 88 G HN 0.483 nan 8.290 nan 0.000 0.530 89 Y N -0.365 120.023 120.300 0.146 0.000 2.598 89 Y HA 0.725 5.658 4.550 0.639 0.000 0.340 89 Y C 0.266 176.452 175.900 0.477 0.000 1.038 89 Y CA -1.141 57.134 58.100 0.292 0.000 1.100 89 Y CB 1.600 40.201 38.460 0.236 0.000 1.281 89 Y HN 0.425 nan 8.280 nan 0.000 0.488 90 Y N -0.367 120.221 120.300 0.479 0.000 2.562 90 Y HA 0.679 5.613 4.550 0.640 0.000 0.345 90 Y C -1.803 174.160 175.900 0.105 0.000 1.045 90 Y CA -1.773 56.531 58.100 0.340 0.000 1.028 90 Y CB 1.001 39.534 38.460 0.122 0.000 1.297 90 Y HN 0.488 nan 8.280 nan 0.000 0.463 91 L N 4.377 125.409 121.223 -0.319 0.000 2.319 91 L HA 0.429 5.152 4.340 0.638 0.000 0.280 91 L C -0.938 175.782 176.870 -0.250 0.000 1.099 91 L CA 0.295 54.667 54.840 -0.779 0.000 0.828 91 L CB 0.107 41.493 42.059 -1.120 0.000 1.150 91 L HN 0.893 nan 8.230 nan 0.000 0.442 92 H N 5.681 124.511 119.070 -0.400 0.000 3.149 92 H HA 0.210 5.149 4.556 0.639 0.000 0.334 92 H C -0.487 174.727 175.328 -0.191 0.000 1.000 92 H CA -0.584 55.339 56.048 -0.209 0.000 1.415 92 H CB 0.907 30.542 29.762 -0.212 0.000 1.819 92 H HN 0.775 nan 8.280 nan 0.000 0.486 93 N N 3.406 121.830 118.700 -0.461 0.000 2.725 93 N HA -0.185 4.938 4.740 0.638 0.000 0.251 93 N C 1.115 176.469 175.510 -0.260 0.000 1.031 93 N CA 1.723 54.535 53.050 -0.397 0.000 0.720 93 N CB -1.336 36.831 38.487 -0.534 0.000 0.930 93 N HN 1.102 nan 8.380 nan 0.000 0.543 94 G N -1.657 107.003 108.800 -0.235 0.000 2.234 94 G HA2 -0.346 3.997 3.960 0.638 0.000 0.260 94 G HA3 -0.346 3.997 3.960 0.638 0.000 0.260 94 G C 0.060 174.820 174.900 -0.233 0.000 0.987 94 G CA 0.964 45.943 45.100 -0.203 0.000 0.625 94 G HN 0.535 nan 8.290 nan 0.000 0.532 95 K N -1.005 119.235 120.400 -0.267 0.000 2.375 95 K HA 0.459 5.162 4.320 0.638 0.000 0.249 95 K C -0.978 175.441 176.600 -0.302 0.000 0.942 95 K CA -1.040 55.118 56.287 -0.215 0.000 0.806 95 K CB 1.469 33.913 32.500 -0.093 0.000 1.227 95 K HN 0.105 nan 8.250 nan 0.000 0.430 96 W N 2.307 123.583 121.300 -0.039 0.000 2.546 96 W HA 0.205 5.247 4.660 0.638 0.000 0.323 96 W C -0.193 176.375 176.519 0.082 0.000 1.272 96 W CA -0.482 56.861 57.345 -0.003 0.000 1.404 96 W CB 0.508 29.947 29.460 -0.036 0.000 1.411 96 W HN 0.049 nan 8.180 nan 0.000 0.480 97 V N 4.344 124.291 119.914 0.055 0.000 2.532 97 V HA 0.243 4.746 4.120 0.638 0.000 0.295 97 V C 0.266 176.289 176.094 -0.118 0.000 1.041 97 V CA -1.686 60.550 62.300 -0.108 0.000 0.926 97 V CB 1.591 33.121 31.823 -0.488 0.000 0.992 97 V HN 0.293 nan 8.190 nan 0.000 0.457 98 K N 4.314 124.602 120.400 -0.187 0.000 2.349 98 K HA 0.368 5.071 4.320 0.638 0.000 0.288 98 K C -0.013 176.537 176.600 -0.082 0.000 1.058 98 K CA -0.267 55.708 56.287 -0.520 0.000 0.953 98 K CB 0.390 32.597 32.500 -0.488 0.000 0.997 98 K HN 0.617 nan 8.250 nan 0.000 0.477 99 M N 4.100 123.730 119.600 0.051 0.000 2.250 99 M HA 0.047 4.910 4.480 0.638 0.000 0.325 99 M C 0.142 176.499 176.300 0.095 0.000 1.084 99 M CA 0.083 55.504 55.300 0.202 0.000 1.161 99 M CB 0.439 33.214 32.600 0.293 0.000 1.481 99 M HN 0.422 nan 8.290 nan 0.000 0.449 100 L N 1.830 123.086 121.223 0.055 0.000 2.397 100 L HA 0.341 5.064 4.340 0.638 0.000 0.271 100 L C 0.260 177.089 176.870 -0.067 0.000 1.148 100 L CA -0.143 54.683 54.840 -0.024 0.000 0.825 100 L CB 0.990 43.019 42.059 -0.050 0.000 1.117 100 L HN 0.855 nan 8.230 nan 0.000 0.456 101 S N 3.338 118.917 115.700 -0.203 0.000 2.550 101 S HA 0.826 5.679 4.470 0.638 0.000 0.270 101 S C -0.992 173.367 174.600 -0.401 0.000 1.145 101 S CA -1.059 56.862 58.200 -0.466 0.000 0.852 101 S CB 2.632 65.300 63.200 -0.888 0.000 1.119 101 S HN 0.779 nan 8.310 nan 0.000 0.465 102 R N 0.577 120.792 120.500 -0.475 0.000 2.707 102 R HA 0.668 5.391 4.340 0.638 0.000 0.272 102 R C -1.585 174.462 176.300 -0.420 0.000 1.011 102 R CA -0.878 55.006 56.100 -0.360 0.000 0.893 102 R CB 1.147 31.287 30.300 -0.267 0.000 1.233 102 R HN 0.523 nan 8.270 nan 0.000 0.464 103 E N 1.780 121.787 120.200 -0.322 0.000 2.216 103 E HA 0.290 5.023 4.350 0.638 0.000 0.279 103 E C -0.634 175.783 176.600 -0.307 0.000 0.997 103 E CA -0.559 55.654 56.400 -0.313 0.000 0.817 103 E CB 1.657 31.238 29.700 -0.198 0.000 1.096 103 E HN 0.426 nan 8.360 nan 0.000 0.393 104 E N 0.905 120.867 120.200 -0.397 0.000 2.312 104 E HA 0.448 5.181 4.350 0.638 0.000 0.267 104 E C -0.889 175.663 176.600 -0.079 0.000 0.894 104 E CA -0.712 55.524 56.400 -0.273 0.000 0.773 104 E CB 2.300 31.762 29.700 -0.397 0.000 1.241 104 E HN 0.194 nan 8.360 nan 0.000 0.432 105 T N 2.348 116.910 114.554 0.013 0.000 2.847 105 T HA 0.380 5.113 4.350 0.638 0.000 0.291 105 T C 0.039 174.794 174.700 0.092 0.000 0.998 105 T CA -0.590 61.554 62.100 0.072 0.000 0.967 105 T CB 0.405 69.288 68.868 0.025 0.000 0.954 105 T HN 0.184 nan 8.240 nan 0.000 0.441 106 I N 4.181 124.827 120.570 0.126 0.000 2.294 106 I HA 0.169 4.722 4.170 0.638 0.000 0.295 106 I C 1.103 177.243 176.117 0.037 0.000 1.098 106 I CA -0.216 61.130 61.300 0.076 0.000 1.277 106 I CB -0.281 37.752 38.000 0.056 0.000 1.434 106 I HN 0.514 nan 8.210 nan 0.000 0.498 107 T N 6.070 120.638 114.554 0.022 0.000 2.919 107 T HA 0.394 5.127 4.350 0.638 0.000 0.302 107 T C 0.272 174.975 174.700 0.004 0.000 1.031 107 T CA -0.129 61.978 62.100 0.011 0.000 1.127 107 T CB 1.346 70.217 68.868 0.004 0.000 0.952 107 T HN 0.314 nan 8.240 nan 0.000 0.540 108 V N 3.638 123.554 119.914 0.003 0.000 2.525 108 V HA 0.347 4.850 4.120 0.638 0.000 0.299 108 V C -0.023 176.070 176.094 -0.001 0.000 1.034 108 V CA -1.212 61.087 62.300 -0.001 0.000 0.863 108 V CB 1.794 33.616 31.823 -0.001 0.000 0.999 108 V HN 0.713 nan 8.190 nan 0.000 0.423 109 K N 4.034 124.432 120.400 -0.003 0.000 2.453 109 K HA 0.100 4.803 4.320 0.638 0.000 0.280 109 K C 0.809 177.409 176.600 -0.000 0.000 1.045 109 K CA 1.137 57.423 56.287 -0.002 0.000 1.059 109 K CB -0.704 31.794 32.500 -0.002 0.000 0.901 109 K HN 0.749 nan 8.250 nan 0.000 0.475 110 N N 1.325 120.025 118.700 0.001 0.000 2.708 110 N HA -0.237 4.886 4.740 0.638 0.000 0.251 110 N C -0.164 175.347 175.510 0.002 0.000 1.123 110 N CA 0.625 53.676 53.050 0.002 0.000 0.739 110 N CB -0.762 37.726 38.487 0.002 0.000 1.113 110 N HN 0.703 nan 8.380 nan 0.000 0.561 111 G N -0.284 108.517 108.800 0.002 0.000 2.798 111 G HA2 0.523 4.866 3.960 0.638 0.000 0.286 111 G HA3 0.523 4.866 3.960 0.638 0.000 0.286 111 G C -1.459 173.443 174.900 0.004 0.000 1.389 111 G CA -0.558 44.544 45.100 0.002 0.000 0.894 111 G HN 0.099 nan 8.290 nan 0.000 0.488 112 Q N -0.038 119.765 119.800 0.005 0.000 2.267 112 Q HA 0.583 5.306 4.340 0.638 0.000 0.255 112 Q C 0.442 176.448 176.000 0.010 0.000 0.923 112 Q CA -0.572 55.236 55.803 0.007 0.000 0.925 112 Q CB 1.208 29.951 28.738 0.008 0.000 1.195 112 Q HN 0.770 nan 8.270 nan 0.000 0.417 113 A N 3.778 126.605 122.820 0.013 0.000 2.466 113 A HA 0.110 4.813 4.320 0.638 0.000 0.238 113 A C -0.342 177.259 177.584 0.029 0.000 1.074 113 A CA 0.106 52.155 52.037 0.020 0.000 0.774 113 A CB 0.448 19.460 19.000 0.021 0.000 1.015 113 A HN 0.848 nan 8.150 nan 0.000 0.498 114 E N 0.209 120.435 120.200 0.043 0.000 2.234 114 E HA 0.469 5.201 4.350 0.638 0.000 0.266 114 E C -1.198 175.480 176.600 0.130 0.000 0.877 114 E CA -0.424 56.013 56.400 0.062 0.000 0.758 114 E CB 1.579 31.295 29.700 0.026 0.000 1.170 114 E HN 0.622 nan 8.360 nan 0.000 0.415 115 T N 4.198 118.837 114.554 0.142 0.000 2.823 115 T HA 0.589 5.322 4.350 0.638 0.000 0.279 115 T C -0.918 173.954 174.700 0.286 0.000 0.998 115 T CA -0.469 61.736 62.100 0.176 0.000 0.994 115 T CB 0.314 69.227 68.868 0.075 0.000 0.960 115 T HN 0.403 nan 8.240 nan 0.000 0.448 116 F N -0.694 119.250 119.950 -0.010 0.000 2.711 116 F HA 0.783 5.692 4.527 0.637 0.000 0.313 116 F C -0.980 174.795 175.800 -0.042 0.000 1.141 116 F CA -1.177 56.825 58.000 0.002 0.000 0.941 116 F CB 0.695 39.710 39.000 0.026 0.000 1.349 116 F HN 0.348 nan 8.300 nan 0.000 0.464 117 T N 1.927 116.367 114.554 -0.190 0.000 2.855 117 T HA 0.687 5.420 4.350 0.638 0.000 0.281 117 T C -0.900 173.521 174.700 -0.465 0.000 1.007 117 T CA -0.588 61.232 62.100 -0.467 0.000 1.009 117 T CB 1.751 70.361 68.868 -0.430 0.000 0.983 117 T HN 0.589 nan 8.240 nan 0.000 0.455 118 V N 2.701 122.245 119.914 -0.616 0.000 2.513 118 V HA 0.575 5.078 4.120 0.638 0.000 0.299 118 V C -1.088 174.745 176.094 -0.436 0.000 1.035 118 V CA -0.939 61.170 62.300 -0.318 0.000 0.889 118 V CB 1.418 33.103 31.823 -0.231 0.000 0.988 118 V HN 0.861 nan 8.190 nan 0.000 0.440 119 W N 3.213 124.488 121.300 -0.042 0.000 2.761 119 W HA 0.823 5.865 4.660 0.636 0.000 0.340 119 W C -0.001 176.474 176.519 -0.072 0.000 1.072 119 W CA -0.624 56.688 57.345 -0.055 0.000 1.215 119 W CB 1.587 31.026 29.460 -0.035 0.000 1.420 119 W HN 0.396 nan 8.180 nan 0.000 0.519 120 R N 1.126 121.702 120.500 0.126 0.000 2.651 120 R HA 0.644 5.367 4.340 0.638 0.000 0.278 120 R C -0.365 175.880 176.300 -0.092 0.000 1.010 120 R CA -0.357 55.740 56.100 -0.006 0.000 0.896 120 R CB 1.939 32.213 30.300 -0.044 0.000 1.211 120 R HN 0.628 nan 8.270 nan 0.000 0.456 121 T N -1.229 113.184 114.554 -0.235 0.000 2.841 121 T HA 0.161 4.894 4.350 0.638 0.000 0.276 121 T C 0.871 175.359 174.700 -0.352 0.000 1.003 121 T CA -0.528 61.303 62.100 -0.448 0.000 0.995 121 T CB 1.207 69.514 68.868 -0.935 0.000 1.260 121 T HN 0.285 nan 8.240 nan 0.000 0.581 122 V N 0.515 120.178 119.914 -0.419 0.000 3.026 122 V HA -0.083 4.420 4.120 0.638 0.000 0.265 122 V C 1.689 177.399 176.094 -0.639 0.000 1.121 122 V CA 1.789 63.799 62.300 -0.483 0.000 1.142 122 V CB -1.505 29.984 31.823 -0.557 0.000 0.730 122 V HN 0.947 nan 8.190 nan 0.000 0.503 123 H N -0.444 118.338 119.070 -0.481 0.000 2.592 123 H HA 0.536 5.475 4.556 0.638 0.000 0.265 123 H C 0.911 176.012 175.328 -0.379 0.000 0.955 123 H CA 0.412 56.103 56.048 -0.594 0.000 1.175 123 H CB 0.640 29.956 29.762 -0.744 0.000 1.433 123 H HN 0.610 nan 8.280 nan 0.000 0.537 124 G N -0.059 108.627 108.800 -0.190 0.000 2.353 124 G HA2 -0.163 4.180 3.960 0.638 0.000 0.424 124 G HA3 -0.163 4.180 3.960 0.638 0.000 0.424 124 G C -1.495 173.352 174.900 -0.089 0.000 1.320 124 G CA -1.138 43.880 45.100 -0.137 0.000 0.995 124 G HN 0.115 nan 8.290 nan 0.000 0.580 125 N N 0.109 118.779 118.700 -0.049 0.000 2.441 125 N HA 0.194 5.317 4.740 0.638 0.000 0.251 125 N C 0.693 176.225 175.510 0.037 0.000 1.242 125 N CA 0.037 53.088 53.050 0.002 0.000 0.898 125 N CB 0.632 39.134 38.487 0.024 0.000 1.100 125 N HN 0.440 nan 8.380 nan 0.000 0.443 126 I N 2.197 122.813 120.570 0.077 0.000 2.529 126 I HA 0.088 4.641 4.170 0.638 0.000 0.284 126 I C 0.845 177.040 176.117 0.130 0.000 1.082 126 I CA -0.352 61.005 61.300 0.096 0.000 1.406 126 I CB 0.335 38.399 38.000 0.106 0.000 1.405 126 I HN 0.220 nan 8.210 nan 0.000 0.548 127 L N 5.768 127.071 121.223 0.135 0.000 2.397 127 L HA 0.104 4.827 4.340 0.638 0.000 0.271 127 L C 1.640 178.595 176.870 0.142 0.000 1.148 127 L CA -0.162 54.760 54.840 0.137 0.000 0.825 127 L CB 0.666 42.806 42.059 0.135 0.000 1.117 127 L HN 0.608 nan 8.230 nan 0.000 0.456 128 Q N 1.091 120.972 119.800 0.134 0.000 2.046 128 Q HA -0.081 4.642 4.340 0.638 0.000 0.200 128 Q C 0.878 176.943 176.000 0.108 0.000 0.975 128 Q CA 1.477 57.356 55.803 0.126 0.000 0.836 128 Q CB -0.009 28.796 28.738 0.112 0.000 0.896 128 Q HN 0.892 nan 8.270 nan 0.000 0.428 129 T N -0.724 113.889 114.554 0.098 0.000 2.748 129 T HA -0.033 4.700 4.350 0.638 0.000 0.304 129 T C 0.215 174.984 174.700 0.115 0.000 1.041 129 T CA 0.084 62.237 62.100 0.087 0.000 1.033 129 T CB 0.439 69.346 68.868 0.066 0.000 0.995 129 T HN 0.388 nan 8.240 nan 0.000 0.536 130 D N -1.059 119.405 120.400 0.106 0.000 2.772 130 D HA -0.162 4.861 4.640 0.638 0.000 0.233 130 D C -0.146 176.291 176.300 0.229 0.000 1.143 130 D CA 0.616 54.708 54.000 0.154 0.000 0.700 130 D CB -1.000 39.850 40.800 0.085 0.000 1.076 130 D HN 0.713 nan 8.370 nan 0.000 0.430 131 Q N -0.045 119.840 119.800 0.142 0.000 2.241 131 Q HA 0.546 5.269 4.340 0.638 0.000 0.254 131 Q C -0.387 175.654 176.000 0.067 0.000 0.917 131 Q CA 0.237 56.100 55.803 0.100 0.000 0.919 131 Q CB 1.681 30.458 28.738 0.065 0.000 1.237 131 Q HN 0.062 nan 8.270 nan 0.000 0.434 132 T N 1.065 115.642 114.554 0.039 0.000 2.865 132 T HA 0.245 4.978 4.350 0.638 0.000 0.294 132 T C 0.600 175.302 174.700 0.003 0.000 1.119 132 T CA -0.481 61.635 62.100 0.026 0.000 1.007 132 T CB 1.558 70.448 68.868 0.036 0.000 1.225 132 T HN 0.606 nan 8.240 nan 0.000 0.515 133 T N 2.063 116.619 114.554 0.004 0.000 2.881 133 T HA -0.120 4.613 4.350 0.638 0.000 0.270 133 T C 1.950 176.651 174.700 0.001 0.000 1.068 133 T CA 1.290 63.387 62.100 -0.005 0.000 1.131 133 T CB 0.007 68.873 68.868 -0.002 0.000 0.871 133 T HN 0.522 nan 8.240 nan 0.000 0.479 134 Q N 0.410 120.216 119.800 0.010 0.000 2.373 134 Q HA 0.139 4.862 4.340 0.638 0.000 0.210 134 Q C 0.518 176.519 176.000 0.001 0.000 0.913 134 Q CA 0.551 56.368 55.803 0.023 0.000 0.911 134 Q CB -0.069 28.686 28.738 0.029 0.000 1.040 134 Q HN 0.330 nan 8.270 nan 0.000 0.521 135 T N 0.961 115.490 114.554 -0.041 0.000 2.893 135 T HA 0.779 5.512 4.350 0.638 0.000 0.293 135 T C -1.154 173.450 174.700 -0.161 0.000 1.027 135 T CA -0.442 61.577 62.100 -0.134 0.000 0.988 135 T CB 1.965 70.706 68.868 -0.213 0.000 1.043 135 T HN 0.319 nan 8.240 nan 0.000 0.461 136 A N 2.018 124.694 122.820 -0.240 0.000 2.475 136 A HA 0.795 5.498 4.320 0.638 0.000 0.301 136 A C -1.933 175.491 177.584 -0.267 0.000 1.059 136 A CA -0.823 51.114 52.037 -0.165 0.000 0.710 136 A CB 1.124 20.064 19.000 -0.101 0.000 1.288 136 A HN 0.793 nan 8.150 nan 0.000 0.408 137 Y N 0.661 120.966 120.300 0.007 0.000 2.341 137 Y HA 0.598 5.532 4.550 0.641 0.000 0.337 137 Y C 0.689 176.598 175.900 0.014 0.000 1.014 137 Y CA -0.125 57.983 58.100 0.014 0.000 1.111 137 Y CB 2.077 40.550 38.460 0.021 0.000 1.194 137 Y HN 0.870 nan 8.280 nan 0.000 0.462 138 A N 3.560 126.473 122.820 0.156 0.000 2.324 138 A HA 0.571 5.274 4.320 0.638 0.000 0.330 138 A C -0.735 176.923 177.584 0.123 0.000 1.165 138 A CA -1.004 51.089 52.037 0.093 0.000 0.813 138 A CB 0.845 19.862 19.000 0.029 0.000 1.197 138 A HN 0.744 nan 8.150 nan 0.000 0.484 139 K N 1.772 122.215 120.400 0.072 0.000 2.264 139 K HA 0.375 5.078 4.320 0.638 0.000 0.277 139 K C -0.528 176.071 176.600 -0.001 0.000 1.067 139 K CA 0.005 56.328 56.287 0.060 0.000 0.900 139 K CB 0.682 33.213 32.500 0.051 0.000 1.124 139 K HN 0.535 nan 8.250 nan 0.000 0.469 140 S N 4.424 120.146 115.700 0.037 0.000 2.420 140 S HA 0.360 5.213 4.470 0.638 0.000 0.313 140 S C -0.781 173.840 174.600 0.035 0.000 1.079 140 S CA -0.863 57.293 58.200 -0.073 0.000 1.104 140 S CB 0.272 63.368 63.200 -0.174 0.000 0.969 140 S HN 0.583 nan 8.310 nan 0.000 0.471 141 R N 2.974 123.376 120.500 -0.164 0.000 2.346 141 R HA 0.513 5.236 4.340 0.638 0.000 0.311 141 R C 1.160 177.401 176.300 -0.099 0.000 0.983 141 R CA -0.350 55.545 56.100 -0.342 0.000 0.880 141 R CB 0.919 30.398 30.300 -1.368 0.000 1.100 141 R HN 0.629 nan 8.270 nan 0.000 0.453 142 A N 3.873 126.745 122.820 0.087 0.000 2.125 142 A HA -0.114 4.589 4.320 0.638 0.000 0.219 142 A C 0.927 178.533 177.584 0.037 0.000 1.156 142 A CA 0.800 52.882 52.037 0.075 0.000 0.671 142 A CB -0.467 18.428 19.000 -0.175 0.000 0.794 142 A HN 0.967 nan 8.150 nan 0.000 0.459 143 W N -0.638 120.662 121.300 0.001 0.000 3.278 143 W HA 0.286 5.329 4.660 0.639 0.000 0.308 143 W C -0.491 176.025 176.519 -0.006 0.000 1.253 143 W CA -0.481 56.837 57.345 -0.046 0.000 1.759 143 W CB -1.134 28.272 29.460 -0.091 0.000 1.093 143 W HN 0.318 nan 8.180 nan 0.000 0.648 144 D N 1.543 121.815 120.400 -0.213 0.000 2.531 144 D HA 0.241 5.264 4.640 0.638 0.000 0.239 144 D C 1.611 177.907 176.300 -0.007 0.000 1.144 144 D CA 2.860 56.751 54.000 -0.182 0.000 0.869 144 D CB 0.408 41.072 40.800 -0.228 0.000 1.160 144 D HN 0.332 nan 8.370 nan 0.000 0.484 145 G N 3.683 112.506 108.800 0.039 0.000 2.179 145 G HA2 -0.328 4.015 3.960 0.638 0.000 0.260 145 G HA3 -0.328 4.015 3.960 0.638 0.000 0.260 145 G C 0.820 175.757 174.900 0.062 0.000 0.977 145 G CA 0.471 45.594 45.100 0.039 0.000 0.641 145 G HN 0.585 nan 8.290 nan 0.000 0.533 146 K N -0.323 120.147 120.400 0.116 0.000 2.478 146 K HA 0.311 5.014 4.320 0.638 0.000 0.205 146 K C 1.511 178.165 176.600 0.091 0.000 1.033 146 K CA 0.135 56.474 56.287 0.087 0.000 1.091 146 K CB 0.460 33.003 32.500 0.071 0.000 0.844 146 K HN 0.281 nan 8.250 nan 0.000 0.507 147 E N 1.209 121.490 120.200 0.134 0.000 2.033 147 E HA -0.176 4.557 4.350 0.638 0.000 0.199 147 E C 1.619 178.224 176.600 0.008 0.000 1.011 147 E CA 1.203 57.649 56.400 0.076 0.000 0.815 147 E CB 0.016 29.778 29.700 0.104 0.000 0.755 147 E HN 0.094 nan 8.360 nan 0.000 0.451 148 L N 0.212 121.442 121.223 0.012 0.000 2.083 148 L HA -0.132 4.591 4.340 0.638 0.000 0.209 148 L C 2.330 179.195 176.870 -0.008 0.000 1.083 148 L CA 1.723 56.559 54.840 -0.006 0.000 0.752 148 L CB -1.385 40.673 42.059 -0.000 0.000 0.899 148 L HN 0.177 nan 8.230 nan 0.000 0.433 149 A N -0.397 122.419 122.820 -0.006 0.000 1.940 149 A HA -0.182 4.520 4.320 0.638 0.000 0.219 149 A C 2.523 180.085 177.584 -0.038 0.000 1.176 149 A CA 2.008 54.032 52.037 -0.020 0.000 0.631 149 A CB -0.466 18.513 19.000 -0.035 0.000 0.814 149 A HN 0.477 nan 8.150 nan 0.000 0.446 150 S N -0.372 115.301 115.700 -0.045 0.000 2.383 150 S HA -0.096 4.757 4.470 0.638 0.000 0.227 150 S C 1.879 176.528 174.600 0.082 0.000 1.026 150 S CA 1.186 59.356 58.200 -0.050 0.000 0.981 150 S CB -0.506 62.646 63.200 -0.079 0.000 0.818 150 S HN 0.573 nan 8.310 nan 0.000 0.472 151 L N 1.225 122.473 121.223 0.041 0.000 2.046 151 L HA -0.067 4.656 4.340 0.638 0.000 0.208 151 L C 2.022 178.911 176.870 0.031 0.000 1.077 151 L CA 1.385 56.241 54.840 0.027 0.000 0.747 151 L CB -0.232 41.787 42.059 -0.068 0.000 0.896 151 L HN 0.274 nan 8.230 nan 0.000 0.432 152 L N -0.414 120.802 121.223 -0.012 0.000 2.109 152 L HA -0.110 4.613 4.340 0.638 0.000 0.207 152 L C 2.851 179.696 176.870 -0.042 0.000 1.086 152 L CA 0.946 55.730 54.840 -0.093 0.000 0.760 152 L CB -0.767 41.278 42.059 -0.024 0.000 0.910 152 L HN 0.327 nan 8.230 nan 0.000 0.437 153 A N -0.537 122.312 122.820 0.048 0.000 1.908 153 A HA -0.265 4.438 4.320 0.638 0.000 0.218 153 A C 2.113 179.816 177.584 0.199 0.000 1.181 153 A CA 1.442 53.519 52.037 0.065 0.000 0.627 153 A CB -0.995 17.938 19.000 -0.111 0.000 0.818 153 A HN 0.576 nan 8.150 nan 0.000 0.445 154 W N 1.071 122.436 121.300 0.109 0.000 2.421 154 W HA -0.086 4.948 4.660 0.623 0.000 0.270 154 W C 2.010 178.448 176.519 -0.134 0.000 1.233 154 W CA 1.874 59.255 57.345 0.061 0.000 1.226 154 W CB -0.787 28.708 29.460 0.059 0.000 1.121 154 W HN 0.429 nan 8.180 nan 0.000 0.579 155 T N -1.716 112.886 114.554 0.080 0.000 2.814 155 T HA -0.117 4.616 4.350 0.638 0.000 0.254 155 T C 1.505 176.227 174.700 0.036 0.000 1.037 155 T CA 1.158 63.230 62.100 -0.046 0.000 1.143 155 T CB -0.559 68.190 68.868 -0.198 0.000 0.866 155 T HN 0.003 nan 8.240 nan 0.000 0.431 156 H N 2.218 121.359 119.070 0.118 0.000 2.421 156 H HA -0.077 4.862 4.556 0.639 0.000 0.298 156 H C 2.514 177.834 175.328 -0.014 0.000 1.087 156 H CA 1.638 57.727 56.048 0.068 0.000 1.330 156 H CB -0.406 29.364 29.762 0.013 0.000 1.388 156 H HN 0.578 nan 8.280 nan 0.000 0.526 157 Q N 0.246 120.066 119.800 0.035 0.000 2.297 157 Q HA -0.111 4.612 4.340 0.638 0.000 0.208 157 Q C 1.976 177.858 176.000 -0.197 0.000 0.981 157 Q CA 1.379 57.135 55.803 -0.078 0.000 0.876 157 Q CB -0.467 28.110 28.738 -0.268 0.000 0.921 157 Q HN 0.354 nan 8.270 nan 0.000 0.446 158 M N 0.293 119.712 119.600 -0.303 0.000 2.374 158 M HA -0.058 4.805 4.480 0.638 0.000 0.264 158 M C 1.230 177.525 176.300 -0.010 0.000 1.067 158 M CA 1.364 56.394 55.300 -0.449 0.000 1.103 158 M CB -0.042 32.499 32.600 -0.099 0.000 1.402 158 M HN 0.216 nan 8.290 nan 0.000 0.444 159 K N 0.206 120.618 120.400 0.019 0.000 2.404 159 K HA 0.269 4.972 4.320 0.638 0.000 0.194 159 K C 0.538 177.185 176.600 0.078 0.000 1.023 159 K CA -0.225 56.065 56.287 0.006 0.000 1.094 159 K CB 0.149 32.554 32.500 -0.158 0.000 0.841 159 K HN 0.165 nan 8.250 nan 0.000 0.523 160 A N 1.667 124.573 122.820 0.144 0.000 2.445 160 A HA 0.084 4.787 4.320 0.638 0.000 0.242 160 A C 0.688 178.415 177.584 0.238 0.000 1.075 160 A CA 0.147 52.311 52.037 0.213 0.000 0.777 160 A CB 0.369 19.588 19.000 0.366 0.000 1.013 160 A HN 0.024 nan 8.150 nan 0.000 0.493 161 K N 0.358 120.885 120.400 0.211 0.000 2.438 161 K HA 0.135 4.838 4.320 0.638 0.000 0.206 161 K C -0.496 176.244 176.600 0.233 0.000 1.081 161 K CA 0.416 56.819 56.287 0.193 0.000 1.053 161 K CB 0.065 32.643 32.500 0.131 0.000 0.908 161 K HN 0.953 nan 8.250 nan 0.000 0.556 162 N N -2.759 116.126 118.700 0.310 0.000 3.116 162 N HA 0.022 5.145 4.740 0.638 0.000 0.244 162 N C 0.203 175.926 175.510 0.356 0.000 1.485 162 N CA -0.902 52.365 53.050 0.361 0.000 0.884 162 N CB -0.076 38.541 38.487 0.217 0.000 1.415 162 N HN -0.060 nan 8.380 nan 0.000 0.524 163 W N 0.330 121.566 121.300 -0.108 0.000 2.342 163 W HA -0.206 4.835 4.660 0.635 0.000 0.297 163 W C 0.614 177.060 176.519 -0.121 0.000 1.213 163 W CA 1.902 58.990 57.345 -0.428 0.000 1.251 163 W CB 0.062 28.977 29.460 -0.908 0.000 1.136 163 W HN 0.558 nan 8.180 nan 0.000 0.526 164 Q N 0.520 120.265 119.800 -0.091 0.000 2.046 164 Q HA -0.174 4.549 4.340 0.638 0.000 0.200 164 Q C 1.886 177.808 176.000 -0.130 0.000 0.975 164 Q CA 1.661 57.365 55.803 -0.166 0.000 0.836 164 Q CB -0.942 27.768 28.738 -0.046 0.000 0.896 164 Q HN 0.520 nan 8.270 nan 0.000 0.428 165 E N -0.161 120.035 120.200 -0.006 0.000 2.153 165 E HA -0.184 4.549 4.350 0.638 0.000 0.194 165 E C 1.690 178.321 176.600 0.051 0.000 0.988 165 E CA 0.777 57.188 56.400 0.019 0.000 0.811 165 E CB -0.172 29.577 29.700 0.082 0.000 0.746 165 E HN 0.366 nan 8.360 nan 0.000 0.466 166 W N 1.645 122.885 121.300 -0.099 0.000 2.441 166 W HA -0.152 4.888 4.660 0.633 0.000 0.302 166 W C 2.558 178.955 176.519 -0.203 0.000 1.191 166 W CA 2.315 59.628 57.345 -0.053 0.000 1.327 166 W CB -0.346 29.206 29.460 0.152 0.000 1.128 166 W HN 0.003 nan 8.180 nan 0.000 0.522 167 T N -1.371 112.960 114.554 -0.372 0.000 2.881 167 T HA -0.244 4.489 4.350 0.638 0.000 0.270 167 T C 1.578 175.918 174.700 -0.601 0.000 1.068 167 T CA 1.647 63.382 62.100 -0.607 0.000 1.131 167 T CB -0.545 67.902 68.868 -0.702 0.000 0.871 167 T HN 0.353 nan 8.240 nan 0.000 0.479 168 Q N 0.130 119.667 119.800 -0.437 0.000 2.124 168 Q HA -0.107 4.616 4.340 0.638 0.000 0.202 168 Q C 2.648 178.388 176.000 -0.433 0.000 0.977 168 Q CA 1.274 56.829 55.803 -0.413 0.000 0.850 168 Q CB -0.061 28.524 28.738 -0.256 0.000 0.901 168 Q HN 0.510 nan 8.270 nan 0.000 0.429 169 Q N -0.587 118.988 119.800 -0.374 0.000 2.163 169 Q HA 0.014 4.737 4.340 0.638 0.000 0.198 169 Q C 2.028 177.714 176.000 -0.524 0.000 0.954 169 Q CA 1.157 56.773 55.803 -0.313 0.000 0.851 169 Q CB -0.307 28.349 28.738 -0.136 0.000 0.928 169 Q HN 0.349 nan 8.270 nan 0.000 0.459 170 A N 1.325 123.710 122.820 -0.725 0.000 1.940 170 A HA -0.122 4.581 4.320 0.638 0.000 0.219 170 A C 2.217 179.235 177.584 -0.943 0.000 1.176 170 A CA 1.867 53.248 52.037 -1.093 0.000 0.631 170 A CB -0.613 17.811 19.000 -0.960 0.000 0.814 170 A HN 0.335 nan 8.150 nan 0.000 0.446 171 A N -0.860 121.341 122.820 -1.031 0.000 2.172 171 A HA -0.034 4.669 4.320 0.638 0.000 0.216 171 A C 1.863 179.082 177.584 -0.609 0.000 1.154 171 A CA 1.489 52.850 52.037 -1.126 0.000 0.701 171 A CB -0.273 17.746 19.000 -1.635 0.000 0.789 171 A HN 0.572 nan 8.150 nan 0.000 0.465 172 K N -0.804 119.270 120.400 -0.543 0.000 2.353 172 K HA 0.100 4.803 4.320 0.638 0.000 0.195 172 K C 0.595 176.968 176.600 -0.380 0.000 1.031 172 K CA -0.166 55.901 56.287 -0.367 0.000 1.079 172 K CB 0.385 32.725 32.500 -0.266 0.000 0.857 172 K HN 0.266 nan 8.250 nan 0.000 0.535 173 Q N 0.912 120.358 119.800 -0.590 0.000 2.307 173 Q HA 0.203 4.926 4.340 0.638 0.000 0.259 173 Q C 0.080 175.774 176.000 -0.510 0.000 0.998 173 Q CA 0.004 55.422 55.803 -0.642 0.000 0.923 173 Q CB 1.540 29.554 28.738 -1.206 0.000 1.196 173 Q HN 0.244 nan 8.270 nan 0.000 0.416 174 A N 5.432 128.051 122.820 -0.336 0.000 2.267 174 A HA 0.213 4.916 4.320 0.638 0.000 0.213 174 A C 0.712 178.132 177.584 -0.273 0.000 1.192 174 A CA -0.063 51.829 52.037 -0.242 0.000 0.851 174 A CB 0.291 19.247 19.000 -0.073 0.000 0.881 174 A HN 0.668 nan 8.150 nan 0.000 0.494 175 L N -0.561 120.438 121.223 -0.375 0.000 2.453 175 L HA 0.199 4.922 4.340 0.638 0.000 0.261 175 L C 0.968 177.619 176.870 -0.367 0.000 1.179 175 L CA -0.286 54.283 54.840 -0.451 0.000 0.813 175 L CB 0.658 42.460 42.059 -0.428 0.000 1.110 175 L HN 0.080 nan 8.230 nan 0.000 0.466 176 T N 3.731 118.121 114.554 -0.272 0.000 3.185 176 T HA 0.358 5.091 4.350 0.638 0.000 0.287 176 T C -0.301 174.302 174.700 -0.161 0.000 1.051 176 T CA -0.425 61.575 62.100 -0.167 0.000 1.051 176 T CB -0.966 67.935 68.868 0.056 0.000 1.034 176 T HN 0.205 nan 8.240 nan 0.000 0.685 177 I N 3.869 124.288 120.570 -0.252 0.000 2.545 177 I HA 0.410 4.963 4.170 0.638 0.000 0.292 177 I C -0.050 176.004 176.117 -0.105 0.000 1.040 177 I CA -1.219 60.033 61.300 -0.081 0.000 1.068 177 I CB 1.848 39.834 38.000 -0.023 0.000 1.251 177 I HN 0.393 nan 8.210 nan 0.000 0.424 178 N N 4.525 123.331 118.700 0.177 0.000 2.442 178 N HA 0.157 5.280 4.740 0.638 0.000 0.265 178 N C -1.012 174.637 175.510 0.233 0.000 1.138 178 N CA -0.055 53.095 53.050 0.167 0.000 0.956 178 N CB 1.052 39.827 38.487 0.480 0.000 1.067 178 N HN 0.396 nan 8.380 nan 0.000 0.474 179 W N 2.472 123.624 121.300 -0.247 0.000 2.551 179 W HA 0.393 5.430 4.660 0.628 0.000 0.330 179 W C -0.460 176.138 176.519 0.132 0.000 1.063 179 W CA -0.524 56.850 57.345 0.048 0.000 1.222 179 W CB 0.383 29.833 29.460 -0.017 0.000 1.349 179 W HN 0.353 nan 8.180 nan 0.000 0.536 180 Y N 2.189 123.007 120.300 0.863 0.000 2.499 180 Y HA 0.420 5.346 4.550 0.627 0.000 0.347 180 Y C -0.725 175.389 175.900 0.357 0.000 0.987 180 Y CA -1.485 57.007 58.100 0.652 0.000 1.044 180 Y CB 1.774 40.514 38.460 0.467 0.000 1.245 180 Y HN 0.325 nan 8.280 nan 0.000 0.461 181 Y N 1.279 121.646 120.300 0.112 0.000 2.536 181 Y HA 0.894 5.825 4.550 0.636 0.000 0.347 181 Y C -1.216 174.700 175.900 0.026 0.000 1.000 181 Y CA -1.228 56.712 58.100 -0.265 0.000 1.051 181 Y CB 1.720 39.774 38.460 -0.678 0.000 1.259 181 Y HN 0.784 nan 8.280 nan 0.000 0.468 182 A N 3.664 126.218 122.820 -0.443 0.000 2.604 182 A HA 0.649 5.352 4.320 0.638 0.000 0.295 182 A C -2.050 175.155 177.584 -0.632 0.000 1.067 182 A CA -0.320 51.589 52.037 -0.214 0.000 0.683 182 A CB 1.480 20.545 19.000 0.107 0.000 1.281 182 A HN 0.844 nan 8.150 nan 0.000 0.407 183 D N -0.680 119.348 120.400 -0.618 0.000 2.596 183 D HA 0.351 5.374 4.640 0.638 0.000 0.262 183 D C 0.449 175.990 176.300 -1.264 0.000 1.210 183 D CA -0.064 53.279 54.000 -1.096 0.000 0.873 183 D CB 1.076 41.593 40.800 -0.472 0.000 1.408 183 D HN 0.782 nan 8.370 nan 0.000 0.441 184 V N 0.713 119.844 119.914 -1.305 0.000 2.546 184 V HA -0.210 4.293 4.120 0.638 0.000 0.254 184 V C 0.816 176.780 176.094 -0.216 0.000 1.076 184 V CA 1.995 63.929 62.300 -0.610 0.000 1.087 184 V CB -0.730 30.954 31.823 -0.231 0.000 0.674 184 V HN 0.525 nan 8.190 nan 0.000 0.470 185 N N -0.071 118.520 118.700 -0.181 0.000 2.336 185 N HA 0.154 5.277 4.740 0.638 0.000 0.189 185 N C 1.361 176.843 175.510 -0.047 0.000 1.113 185 N CA 0.998 54.010 53.050 -0.063 0.000 0.858 185 N CB 0.806 39.281 38.487 -0.020 0.000 0.970 185 N HN 0.653 nan 8.380 nan 0.000 0.471 186 G N 0.557 109.312 108.800 -0.074 0.000 2.144 186 G HA2 -0.226 4.117 3.960 0.638 0.000 0.218 186 G HA3 -0.226 4.117 3.960 0.638 0.000 0.218 186 G C -0.143 174.733 174.900 -0.040 0.000 0.988 186 G CA -0.502 44.580 45.100 -0.029 0.000 0.659 186 G HN 0.241 nan 8.290 nan 0.000 0.522 187 N N 0.573 119.252 118.700 -0.035 0.000 2.525 187 N HA 0.632 5.755 4.740 0.638 0.000 0.271 187 N C 0.503 176.039 175.510 0.044 0.000 1.194 187 N CA 0.749 53.765 53.050 -0.057 0.000 0.964 187 N CB 1.420 39.944 38.487 0.061 0.000 1.126 187 N HN 0.831 nan 8.380 nan 0.000 0.452 188 I N -3.138 117.383 120.570 -0.081 0.000 2.865 188 I HA 0.862 5.415 4.170 0.638 0.000 0.302 188 I C -0.077 176.052 176.117 0.020 0.000 1.140 188 I CA -0.942 60.419 61.300 0.102 0.000 1.021 188 I CB 2.406 40.455 38.000 0.081 0.000 1.233 188 I HN 0.436 nan 8.210 nan 0.000 0.427 189 G N 2.483 111.449 108.800 0.276 0.000 2.684 189 G HA2 0.647 4.990 3.960 0.638 0.000 0.290 189 G HA3 0.647 4.990 3.960 0.638 0.000 0.290 189 G C -2.543 172.721 174.900 0.606 0.000 1.425 189 G CA -0.719 44.530 45.100 0.248 0.000 0.822 189 G HN 0.899 nan 8.290 nan 0.000 0.482 190 Y N -0.295 120.318 120.300 0.522 0.000 2.482 190 Y HA 0.636 5.564 4.550 0.630 0.000 0.334 190 Y C -1.733 174.442 175.900 0.459 0.000 1.091 190 Y CA -0.965 57.394 58.100 0.432 0.000 1.027 190 Y CB 2.035 40.651 38.460 0.260 0.000 1.306 190 Y HN 0.591 nan 8.280 nan 0.000 0.446 191 V N 5.282 125.006 119.914 -0.317 0.000 2.623 191 V HA 0.193 4.696 4.120 0.638 0.000 0.304 191 V C -1.126 174.550 176.094 -0.697 0.000 1.054 191 V CA -0.812 61.234 62.300 -0.424 0.000 0.882 191 V CB 1.520 33.287 31.823 -0.093 0.000 1.002 191 V HN 0.842 nan 8.190 nan 0.000 0.424 192 H N 3.675 122.282 119.070 -0.772 0.000 3.109 192 H HA 0.419 5.352 4.556 0.628 0.000 0.266 192 H C 0.759 175.915 175.328 -0.288 0.000 1.334 192 H CA 0.236 56.005 56.048 -0.464 0.000 1.456 192 H CB 0.298 29.805 29.762 -0.425 0.000 1.587 192 H HN 0.849 nan 8.280 nan 0.000 0.500 193 T N 1.519 115.788 114.554 -0.476 0.000 2.726 193 T HA 0.600 5.333 4.350 0.638 0.000 0.294 193 T C 0.654 175.172 174.700 -0.304 0.000 1.013 193 T CA 0.019 61.848 62.100 -0.451 0.000 0.996 193 T CB 1.130 69.461 68.868 -0.896 0.000 1.016 193 T HN 0.984 nan 8.240 nan 0.000 0.529 194 G N -0.797 107.846 108.800 -0.261 0.000 2.362 194 G HA2 0.501 4.844 3.960 0.638 0.000 0.656 194 G HA3 0.501 4.844 3.960 0.638 0.000 0.656 194 G C -0.588 174.077 174.900 -0.392 0.000 1.376 194 G CA -0.476 44.408 45.100 -0.361 0.000 0.971 194 G HN 1.336 nan 8.290 nan 0.000 0.636 195 A N 0.315 122.833 122.820 -0.503 0.000 2.328 195 A HA 0.811 5.513 4.320 0.638 0.000 0.284 195 A C -0.818 176.331 177.584 -0.726 0.000 1.160 195 A CA -0.088 51.727 52.037 -0.369 0.000 0.818 195 A CB 0.302 19.204 19.000 -0.164 0.000 1.087 195 A HN 1.247 nan 8.150 nan 0.000 0.504 196 Y N 2.572 122.835 120.300 -0.062 0.000 2.442 196 Y HA 0.474 5.402 4.550 0.630 0.000 0.344 196 Y C -2.231 173.504 175.900 -0.276 0.000 0.976 196 Y CA -2.487 55.535 58.100 -0.129 0.000 1.040 196 Y CB 2.178 40.620 38.460 -0.029 0.000 1.228 196 Y HN 0.511 nan 8.280 nan 0.000 0.451 197 P HA 0.020 nan 4.420 nan 0.000 0.275 197 P C -0.658 176.386 177.300 -0.427 0.000 1.227 197 P CA -0.162 62.473 63.100 -0.774 0.000 0.781 197 P CB 1.247 31.691 31.700 -2.094 0.000 0.906 198 D N 3.043 123.293 120.400 -0.250 0.000 2.441 198 D HA 0.111 5.134 4.640 0.638 0.000 0.221 198 D C -0.051 176.232 176.300 -0.028 0.000 1.156 198 D CA -0.277 53.670 54.000 -0.089 0.000 0.896 198 D CB -0.020 40.778 40.800 -0.004 0.000 1.028 198 D HN 0.148 nan 8.370 nan 0.000 0.509 199 R N 2.505 122.969 120.500 -0.060 0.000 2.490 199 R HA 0.213 4.936 4.340 0.638 0.000 0.278 199 R C 0.708 177.130 176.300 0.202 0.000 1.069 199 R CA -0.781 55.368 56.100 0.083 0.000 1.080 199 R CB 0.810 31.013 30.300 -0.161 0.000 1.030 199 R HN 0.413 nan 8.270 nan 0.000 0.491 200 Q N 0.743 120.764 119.800 0.369 0.000 2.479 200 Q HA -0.031 4.692 4.340 0.638 0.000 0.267 200 Q C 0.072 176.243 176.000 0.285 0.000 1.071 200 Q CA 0.375 56.344 55.803 0.276 0.000 0.935 200 Q CB 0.764 29.640 28.738 0.231 0.000 1.295 200 Q HN 0.511 nan 8.270 nan 0.000 0.476 201 S N -0.185 115.615 115.700 0.167 0.000 2.516 201 S HA 0.331 5.184 4.470 0.638 0.000 0.282 201 S C 0.892 175.665 174.600 0.289 0.000 1.286 201 S CA 0.850 59.152 58.200 0.169 0.000 1.066 201 S CB -0.290 62.963 63.200 0.089 0.000 0.884 201 S HN 0.783 nan 8.310 nan 0.000 0.491 202 G N 3.452 112.434 108.800 0.302 0.000 2.176 202 G HA2 -0.216 4.126 3.960 0.638 0.000 0.232 202 G HA3 -0.216 4.126 3.960 0.638 0.000 0.232 202 G C -0.005 175.110 174.900 0.358 0.000 0.986 202 G CA 0.306 45.610 45.100 0.340 0.000 0.643 202 G HN 0.990 nan 8.290 nan 0.000 0.522 203 H N 1.050 120.292 119.070 0.287 0.000 2.846 203 H HA 0.463 5.402 4.556 0.638 0.000 0.278 203 H C -0.672 174.669 175.328 0.022 0.000 1.117 203 H CA -0.539 55.578 56.048 0.116 0.000 1.406 203 H CB 0.575 30.508 29.762 0.285 0.000 1.445 203 H HN 0.098 nan 8.280 nan 0.000 0.469 204 D N 7.473 128.007 120.400 0.224 0.000 2.336 204 D HA 0.032 5.055 4.640 0.638 0.000 0.249 204 D C -1.669 174.762 176.300 0.219 0.000 1.213 204 D CA -2.188 51.893 54.000 0.136 0.000 0.870 204 D CB 1.589 42.406 40.800 0.027 0.000 1.076 204 D HN 0.479 nan 8.370 nan 0.000 0.483 205 P HA 0.012 nan 4.420 nan 0.000 0.242 205 P C 0.638 177.980 177.300 0.069 0.000 1.197 205 P CA 0.335 63.469 63.100 0.058 0.000 0.765 205 P CB 0.277 31.928 31.700 -0.080 0.000 0.936 206 R N -1.034 119.499 120.500 0.055 0.000 2.312 206 R HA 0.313 5.036 4.340 0.638 0.000 0.205 206 R C 0.712 177.035 176.300 0.039 0.000 0.904 206 R CA 0.137 56.264 56.100 0.045 0.000 1.052 206 R CB 0.138 30.464 30.300 0.043 0.000 1.014 206 R HN 0.226 nan 8.270 nan 0.000 0.503 207 L N 0.668 121.903 121.223 0.020 0.000 2.354 207 L HA 0.517 5.240 4.340 0.638 0.000 0.264 207 L C -2.429 174.390 176.870 -0.085 0.000 1.008 207 L CA -2.686 52.136 54.840 -0.030 0.000 0.819 207 L CB 1.940 43.964 42.059 -0.058 0.000 1.339 207 L HN -0.236 nan 8.230 nan 0.000 0.420 208 P HA 0.200 nan 4.420 nan 0.000 0.272 208 P C -1.221 175.873 177.300 -0.344 0.000 1.240 208 P CA -0.333 62.670 63.100 -0.161 0.000 0.791 208 P CB 0.716 32.403 31.700 -0.021 0.000 0.978 209 V N -2.722 116.889 119.914 -0.506 0.000 2.823 209 V HA 0.613 5.116 4.120 0.638 0.000 0.312 209 V C -2.784 173.061 176.094 -0.416 0.000 1.072 209 V CA -3.241 58.658 62.300 -0.668 0.000 0.937 209 V CB 1.428 32.673 31.823 -0.964 0.000 1.013 209 V HN 0.288 nan 8.190 nan 0.000 0.430 210 P HA 0.222 nan 4.420 nan 0.000 0.266 210 P C 0.809 178.207 177.300 0.164 0.000 1.195 210 P CA 0.536 63.631 63.100 -0.007 0.000 0.768 210 P CB 0.708 32.479 31.700 0.118 0.000 0.838 211 G N 0.712 109.625 108.800 0.188 0.000 3.189 211 G HA2 -0.034 4.309 3.960 0.638 0.000 0.225 211 G HA3 -0.034 4.309 3.960 0.638 0.000 0.225 211 G C 0.925 176.079 174.900 0.424 0.000 1.159 211 G CA 0.105 45.392 45.100 0.311 0.000 0.763 211 G HN 0.533 nan 8.290 nan 0.000 0.549 212 T N -3.116 111.616 114.554 0.297 0.000 3.160 212 T HA 0.374 5.107 4.350 0.638 0.000 0.257 212 T C 1.795 176.633 174.700 0.231 0.000 1.147 212 T CA 1.233 63.469 62.100 0.227 0.000 1.064 212 T CB 0.241 69.160 68.868 0.085 0.000 0.949 212 T HN 0.917 nan 8.240 nan 0.000 0.526 213 G N 1.343 110.337 108.800 0.324 0.000 3.180 213 G HA2 -0.194 4.149 3.960 0.638 0.000 0.197 213 G HA3 -0.194 4.149 3.960 0.638 0.000 0.197 213 G C 0.957 175.928 174.900 0.119 0.000 1.149 213 G CA -0.051 45.168 45.100 0.199 0.000 0.847 213 G HN 0.253 nan 8.290 nan 0.000 0.469 214 K N 0.144 120.558 120.400 0.023 0.000 2.360 214 K HA 0.032 4.735 4.320 0.638 0.000 0.201 214 K C 1.312 177.706 176.600 -0.344 0.000 1.046 214 K CA 0.904 57.071 56.287 -0.199 0.000 0.945 214 K CB -0.294 32.010 32.500 -0.327 0.000 0.750 214 K HN 0.673 nan 8.250 nan 0.000 0.464 215 W N 1.323 122.714 121.300 0.151 0.000 3.132 215 W HA 0.118 5.162 4.660 0.639 0.000 0.364 215 W C -0.251 176.479 176.519 0.352 0.000 1.129 215 W CA -0.889 56.556 57.345 0.166 0.000 1.815 215 W CB 0.311 29.767 29.460 -0.006 0.000 1.099 215 W HN -0.170 nan 8.180 nan 0.000 0.605 216 D N 0.255 120.952 120.400 0.495 0.000 2.449 216 D HA -0.098 4.925 4.640 0.638 0.000 0.236 216 D C 0.447 177.054 176.300 0.512 0.000 1.149 216 D CA 0.402 54.676 54.000 0.456 0.000 0.878 216 D CB 0.503 41.479 40.800 0.293 0.000 1.198 216 D HN -0.206 nan 8.370 nan 0.000 0.446 217 W N 1.716 123.256 121.300 0.400 0.000 2.187 217 W HA 0.021 5.062 4.660 0.635 0.000 0.348 217 W C 1.624 178.248 176.519 0.175 0.000 1.282 217 W CA -0.428 57.088 57.345 0.285 0.000 1.271 217 W CB -0.049 29.556 29.460 0.242 0.000 1.170 217 W HN 0.444 nan 8.180 nan 0.000 0.583 218 K N 0.984 121.596 120.400 0.353 0.000 2.167 218 K HA 0.134 4.837 4.320 0.638 0.000 0.203 218 K C 1.149 177.855 176.600 0.175 0.000 1.052 218 K CA 1.215 57.624 56.287 0.203 0.000 0.956 218 K CB 0.196 32.776 32.500 0.133 0.000 0.735 218 K HN 0.652 nan 8.250 nan 0.000 0.451 219 G N -0.161 108.754 108.800 0.192 0.000 2.455 219 G HA2 0.177 4.520 3.960 0.638 0.000 0.223 219 G HA3 0.177 4.520 3.960 0.638 0.000 0.223 219 G C -1.862 173.088 174.900 0.083 0.000 1.226 219 G CA -0.953 44.234 45.100 0.146 0.000 0.948 219 G HN -0.012 nan 8.290 nan 0.000 0.478 220 L N 0.910 122.156 121.223 0.039 0.000 2.346 220 L HA 0.588 5.310 4.340 0.638 0.000 0.274 220 L C 0.289 177.161 176.870 0.003 0.000 1.007 220 L CA -0.874 53.958 54.840 -0.014 0.000 0.818 220 L CB 1.929 43.985 42.059 -0.005 0.000 1.284 220 L HN 0.422 nan 8.230 nan 0.000 0.424 221 L N 3.735 124.959 121.223 0.001 0.000 2.506 221 L HA 0.154 4.877 4.340 0.638 0.000 0.281 221 L C -1.712 175.188 176.870 0.050 0.000 1.228 221 L CA -1.273 53.585 54.840 0.029 0.000 0.850 221 L CB -0.014 42.074 42.059 0.048 0.000 1.110 221 L HN 0.402 nan 8.230 nan 0.000 0.496 222 P HA -0.019 nan 4.420 nan 0.000 0.276 222 P C 0.426 177.781 177.300 0.093 0.000 1.252 222 P CA -0.444 62.696 63.100 0.067 0.000 0.802 222 P CB 0.667 32.395 31.700 0.047 0.000 1.035 223 F N 1.216 121.140 119.950 -0.044 0.000 2.250 223 F HA -0.166 4.742 4.527 0.636 0.000 0.301 223 F C 2.207 177.977 175.800 -0.049 0.000 1.077 223 F CA 1.650 59.610 58.000 -0.067 0.000 1.348 223 F CB -0.469 38.463 39.000 -0.113 0.000 1.040 223 F HN 0.353 nan 8.300 nan 0.000 0.509 224 E N -0.102 120.060 120.200 -0.064 0.000 2.171 224 E HA -0.236 4.497 4.350 0.638 0.000 0.197 224 E C 2.019 178.519 176.600 -0.167 0.000 0.997 224 E CA 1.749 58.076 56.400 -0.122 0.000 0.810 224 E CB -0.201 29.483 29.700 -0.026 0.000 0.738 224 E HN 0.286 nan 8.360 nan 0.000 0.467 225 M N 0.428 119.956 119.600 -0.119 0.000 2.319 225 M HA 0.008 4.871 4.480 0.638 0.000 0.265 225 M C 0.134 176.350 176.300 -0.140 0.000 1.068 225 M CA 0.498 55.746 55.300 -0.087 0.000 1.118 225 M CB -1.194 31.394 32.600 -0.021 0.000 1.395 225 M HN -0.055 nan 8.290 nan 0.000 0.435 226 N N 1.966 120.518 118.700 -0.246 0.000 2.440 226 N HA 0.079 5.202 4.740 0.638 0.000 0.265 226 N C -2.483 172.837 175.510 -0.317 0.000 1.239 226 N CA -0.627 52.255 53.050 -0.280 0.000 0.909 226 N CB -0.085 38.173 38.487 -0.381 0.000 1.066 226 N HN 0.014 nan 8.380 nan 0.000 0.474 227 P HA -0.037 nan 4.420 nan 0.000 0.261 227 P C -0.644 176.534 177.300 -0.203 0.000 1.183 227 P CA 0.475 63.433 63.100 -0.237 0.000 0.761 227 P CB 0.308 31.790 31.700 -0.364 0.000 0.785 228 K N 0.945 121.300 120.400 -0.076 0.000 2.575 228 K HA 0.804 5.507 4.320 0.638 0.000 0.279 228 K C -1.970 174.734 176.600 0.173 0.000 0.969 228 K CA -1.135 55.176 56.287 0.040 0.000 0.868 228 K CB 1.989 34.519 32.500 0.050 0.000 1.457 228 K HN 0.177 nan 8.250 nan 0.000 0.426 229 V N 1.725 121.811 119.914 0.287 0.000 2.932 229 V HA 0.517 5.020 4.120 0.638 0.000 0.307 229 V C -2.243 173.894 176.094 0.071 0.000 1.147 229 V CA -0.573 61.833 62.300 0.177 0.000 0.951 229 V CB 2.054 33.956 31.823 0.132 0.000 1.031 229 V HN 0.799 nan 8.190 nan 0.000 0.426 230 Y N 5.812 125.936 120.300 -0.292 0.000 2.350 230 Y HA 0.523 5.455 4.550 0.637 0.000 0.338 230 Y C 0.498 176.187 175.900 -0.352 0.000 0.961 230 Y CA -0.965 56.740 58.100 -0.658 0.000 1.100 230 Y CB 1.359 39.150 38.460 -1.115 0.000 1.179 230 Y HN 0.838 nan 8.280 nan 0.000 0.454 231 N N 5.054 123.335 118.700 -0.699 0.000 2.667 231 N HA -0.151 4.972 4.740 0.638 0.000 0.263 231 N C -2.717 172.643 175.510 -0.249 0.000 1.038 231 N CA 0.727 53.481 53.050 -0.493 0.000 0.749 231 N CB -0.813 37.293 38.487 -0.635 0.000 0.892 231 N HN 0.484 nan 8.380 nan 0.000 0.546 232 P HA -0.021 nan 4.420 nan 0.000 0.269 232 P C 0.743 177.972 177.300 -0.118 0.000 1.209 232 P CA 0.049 63.072 63.100 -0.128 0.000 0.776 232 P CB 0.724 32.341 31.700 -0.139 0.000 0.876 233 Q N 1.297 121.040 119.800 -0.095 0.000 2.181 233 Q HA -0.161 4.562 4.340 0.638 0.000 0.205 233 Q C 2.141 178.100 176.000 -0.069 0.000 0.980 233 Q CA 2.042 57.801 55.803 -0.072 0.000 0.862 233 Q CB -0.579 28.126 28.738 -0.055 0.000 0.905 233 Q HN 0.636 nan 8.270 nan 0.000 0.429 234 S N -0.277 115.354 115.700 -0.114 0.000 2.419 234 S HA -0.073 4.780 4.470 0.638 0.000 0.235 234 S C 1.720 176.317 174.600 -0.005 0.000 1.019 234 S CA 0.847 58.979 58.200 -0.114 0.000 0.982 234 S CB -0.464 62.515 63.200 -0.367 0.000 0.789 234 S HN 0.622 nan 8.310 nan 0.000 0.490 235 G N 0.218 108.996 108.800 -0.037 0.000 2.157 235 G HA2 -0.226 4.117 3.960 0.638 0.000 0.248 235 G HA3 -0.226 4.117 3.960 0.638 0.000 0.248 235 G C -0.101 174.889 174.900 0.150 0.000 0.979 235 G CA 0.485 45.612 45.100 0.044 0.000 0.650 235 G HN 1.361 nan 8.290 nan 0.000 0.529 236 Y N -1.934 118.360 120.300 -0.009 0.000 2.638 236 Y HA 0.788 5.719 4.550 0.635 0.000 0.335 236 Y C -0.953 174.962 175.900 0.025 0.000 1.155 236 Y CA -2.291 55.819 58.100 0.017 0.000 1.046 236 Y CB 1.156 39.625 38.460 0.014 0.000 1.303 236 Y HN 0.163 nan 8.280 nan 0.000 0.460 237 I N 2.702 123.386 120.570 0.191 0.000 2.468 237 I HA 0.757 5.310 4.170 0.638 0.000 0.285 237 I C -0.874 175.376 176.117 0.223 0.000 1.039 237 I CA -0.955 60.404 61.300 0.099 0.000 1.074 237 I CB 1.765 39.867 38.000 0.170 0.000 1.228 237 I HN 0.905 nan 8.210 nan 0.000 0.436 238 A N 6.172 129.108 122.820 0.193 0.000 2.371 238 A HA 0.785 5.488 4.320 0.638 0.000 0.311 238 A C -1.153 176.508 177.584 0.128 0.000 1.068 238 A CA -0.582 51.589 52.037 0.223 0.000 0.744 238 A CB 1.867 21.055 19.000 0.312 0.000 1.239 238 A HN 0.693 nan 8.150 nan 0.000 0.435 239 N N 1.167 119.956 118.700 0.149 0.000 2.331 239 N HA 0.332 5.455 4.740 0.638 0.000 0.280 239 N C -2.031 173.659 175.510 0.300 0.000 1.155 239 N CA -0.198 52.973 53.050 0.202 0.000 0.822 239 N CB 1.958 40.623 38.487 0.296 0.000 1.619 239 N HN 0.701 nan 8.380 nan 0.000 0.476 240 W N 3.503 124.883 121.300 0.132 0.000 1.023 240 W HA 0.309 5.337 4.660 0.614 0.000 0.305 240 W C -0.407 176.218 176.519 0.177 0.000 0.850 240 W CA -0.646 56.782 57.345 0.138 0.000 1.790 240 W CB -1.295 28.217 29.460 0.086 0.000 1.654 240 W HN 0.830 nan 8.180 nan 0.000 0.495 241 N N 1.052 120.065 118.700 0.522 0.000 2.741 241 N HA -0.270 4.853 4.740 0.638 0.000 0.251 241 N C 0.235 176.066 175.510 0.536 0.000 1.112 241 N CA 1.289 54.678 53.050 0.564 0.000 0.750 241 N CB -1.080 37.710 38.487 0.504 0.000 1.119 241 N HN 0.438 nan 8.380 nan 0.000 0.561 242 N N -0.283 118.555 118.700 0.230 0.000 2.379 242 N HA 0.174 5.297 4.740 0.638 0.000 0.260 242 N C -0.016 174.980 175.510 -0.857 0.000 1.254 242 N CA -0.366 52.586 53.050 -0.163 0.000 0.958 242 N CB 0.820 39.247 38.487 -0.101 0.000 1.208 242 N HN 0.069 nan 8.380 nan 0.000 0.532 243 S N -0.352 114.384 115.700 -1.607 0.000 2.552 243 S HA 0.084 4.937 4.470 0.638 0.000 0.289 243 S C -1.478 172.687 174.600 -0.724 0.000 1.304 243 S CA -0.995 56.182 58.200 -1.705 0.000 1.063 243 S CB 0.188 62.887 63.200 -0.835 0.000 0.848 243 S HN 0.448 nan 8.310 nan 0.000 0.499 244 P HA 0.030 nan 4.420 nan 0.000 0.217 244 P C -0.036 177.156 177.300 -0.180 0.000 1.151 244 P CA 0.820 63.764 63.100 -0.261 0.000 0.828 244 P CB 0.147 31.587 31.700 -0.432 0.000 0.788 245 Q N -1.619 118.070 119.800 -0.186 0.000 2.527 245 Q HA 0.219 4.941 4.340 0.638 0.000 0.280 245 Q C -1.113 174.891 176.000 0.007 0.000 0.977 245 Q CA -0.885 54.874 55.803 -0.073 0.000 0.837 245 Q CB 1.471 30.161 28.738 -0.081 0.000 1.454 245 Q HN -0.273 nan 8.270 nan 0.000 0.387 246 K N 1.753 122.160 120.400 0.011 0.000 2.484 246 K HA -0.066 4.637 4.320 0.638 0.000 0.280 246 K C -0.709 175.936 176.600 0.075 0.000 1.013 246 K CA 1.283 57.593 56.287 0.038 0.000 1.029 246 K CB 0.222 32.735 32.500 0.023 0.000 0.902 246 K HN 0.717 nan 8.250 nan 0.000 0.481 247 D N 1.100 121.555 120.400 0.091 0.000 3.077 247 D HA -0.270 4.753 4.640 0.638 0.000 0.212 247 D C -0.637 175.730 176.300 0.113 0.000 1.125 247 D CA 1.008 55.062 54.000 0.089 0.000 0.970 247 D CB -1.534 39.301 40.800 0.058 0.000 1.110 247 D HN 0.540 nan 8.370 nan 0.000 0.419 248 Y N 2.445 122.770 120.300 0.041 0.000 2.365 248 Y HA 0.384 5.312 4.550 0.629 0.000 0.340 248 Y C -1.943 174.072 175.900 0.190 0.000 1.016 248 Y CA -1.599 56.528 58.100 0.045 0.000 1.196 248 Y CB 0.970 39.402 38.460 -0.047 0.000 1.167 248 Y HN -0.157 nan 8.280 nan 0.000 0.509 249 P HA 0.316 nan 4.420 nan 0.000 0.284 249 P C -1.066 176.132 177.300 -0.171 0.000 1.253 249 P CA -0.305 62.678 63.100 -0.195 0.000 0.800 249 P CB 1.577 33.130 31.700 -0.245 0.000 0.961 250 A N 2.670 125.425 122.820 -0.108 0.000 2.259 250 A HA 0.373 5.076 4.320 0.638 0.000 0.278 250 A C 0.674 178.079 177.584 -0.297 0.000 1.107 250 A CA -0.399 51.340 52.037 -0.496 0.000 0.828 250 A CB -0.285 18.133 19.000 -0.969 0.000 1.111 250 A HN 0.614 nan 8.150 nan 0.000 0.498 251 S N -0.775 114.696 115.700 -0.383 0.000 2.571 251 S HA -0.051 4.802 4.470 0.638 0.000 0.298 251 S C 0.864 175.367 174.600 -0.163 0.000 1.280 251 S CA 0.613 58.662 58.200 -0.251 0.000 1.052 251 S CB -0.011 62.920 63.200 -0.449 0.000 0.799 251 S HN 0.753 nan 8.310 nan 0.000 0.501 252 D N 3.414 123.770 120.400 -0.074 0.000 2.371 252 D HA -0.021 5.002 4.640 0.638 0.000 0.221 252 D C 0.491 176.775 176.300 -0.028 0.000 0.986 252 D CA 0.235 54.220 54.000 -0.025 0.000 0.899 252 D CB -0.557 40.251 40.800 0.014 0.000 0.902 252 D HN 0.529 nan 8.370 nan 0.000 0.530 253 L N 1.399 122.566 121.223 -0.094 0.000 2.628 253 L HA -0.028 4.695 4.340 0.638 0.000 0.274 253 L C 1.214 177.986 176.870 -0.163 0.000 1.209 253 L CA -0.555 54.164 54.840 -0.201 0.000 0.930 253 L CB 0.011 41.942 42.059 -0.213 0.000 1.183 253 L HN 0.092 nan 8.230 nan 0.000 0.492 254 F N 1.854 121.742 119.950 -0.103 0.000 2.269 254 F HA -0.088 4.839 4.527 0.665 0.000 0.301 254 F C 1.907 177.669 175.800 -0.063 0.000 1.082 254 F CA 0.884 58.840 58.000 -0.074 0.000 1.360 254 F CB -0.616 38.260 39.000 -0.207 0.000 1.041 254 F HN 0.435 nan 8.300 nan 0.000 0.512 255 A N -0.962 121.597 122.820 -0.435 0.000 2.278 255 A HA 0.204 4.906 4.320 0.638 0.000 0.212 255 A C -0.036 177.504 177.584 -0.074 0.000 1.213 255 A CA -0.133 51.793 52.037 -0.186 0.000 0.840 255 A CB -1.022 17.771 19.000 -0.344 0.000 0.866 255 A HN 0.386 nan 8.150 nan 0.000 0.489 256 F N 0.131 119.956 119.950 -0.208 0.000 2.467 256 F HA 0.692 5.527 4.527 0.513 0.000 0.336 256 F C -0.862 174.805 175.800 -0.222 0.000 1.123 256 F CA -1.169 56.687 58.000 -0.241 0.000 0.964 256 F CB 1.161 39.977 39.000 -0.306 0.000 1.136 256 F HN -0.060 nan 8.300 nan 0.000 0.447 257 L N 4.973 125.877 121.223 -0.531 0.000 2.445 257 L HA 0.369 5.092 4.340 0.638 0.000 0.262 257 L C -1.611 175.070 176.870 -0.315 0.000 0.974 257 L CA -0.773 53.902 54.840 -0.275 0.000 0.822 257 L CB 2.266 44.281 42.059 -0.074 0.000 1.339 257 L HN 0.524 nan 8.230 nan 0.000 0.409 258 W N 2.396 123.674 121.300 -0.037 0.000 2.278 258 W HA 0.689 5.715 4.660 0.610 0.000 0.317 258 W C 0.303 176.823 176.519 0.002 0.000 1.030 258 W CA -0.979 56.352 57.345 -0.023 0.000 1.334 258 W CB 1.422 30.937 29.460 0.091 0.000 1.215 258 W HN 0.542 nan 8.180 nan 0.000 0.405 259 G N 0.235 109.144 108.800 0.181 0.000 2.921 259 G HA2 0.457 4.800 3.960 0.638 0.000 0.291 259 G HA3 0.457 4.800 3.960 0.638 0.000 0.291 259 G C 0.740 175.691 174.900 0.085 0.000 1.370 259 G CA -0.146 45.032 45.100 0.130 0.000 0.847 259 G HN 0.410 nan 8.290 nan 0.000 0.532 260 G N -0.272 108.601 108.800 0.122 0.000 2.475 260 G HA2 0.244 4.587 3.960 0.638 0.000 0.220 260 G HA3 0.244 4.587 3.960 0.638 0.000 0.220 260 G C 0.936 175.766 174.900 -0.115 0.000 1.125 260 G CA 1.653 46.825 45.100 0.121 0.000 0.755 260 G HN 1.264 nan 8.290 nan 0.000 0.565 261 A N 0.297 122.968 122.820 -0.249 0.000 2.279 261 A HA 0.555 5.258 4.320 0.638 0.000 0.306 261 A C -0.735 176.694 177.584 -0.259 0.000 1.300 261 A CA -0.404 51.331 52.037 -0.504 0.000 0.925 261 A CB 0.471 19.094 19.000 -0.628 0.000 1.152 261 A HN 0.187 nan 8.150 nan 0.000 0.544 262 D N 1.997 122.252 120.400 -0.242 0.000 2.990 262 D HA 0.154 5.177 4.640 0.638 0.000 0.227 262 D C 1.065 177.250 176.300 -0.191 0.000 1.249 262 D CA -0.462 53.433 54.000 -0.174 0.000 0.891 262 D CB 1.366 42.111 40.800 -0.092 0.000 1.647 262 D HN 0.635 nan 8.370 nan 0.000 0.530 263 R N 1.857 122.200 120.500 -0.262 0.000 2.241 263 R HA -0.060 4.663 4.340 0.638 0.000 0.224 263 R C 1.501 177.775 176.300 -0.044 0.000 1.101 263 R CA 0.716 56.622 56.100 -0.323 0.000 0.995 263 R CB -0.374 29.436 30.300 -0.815 0.000 0.870 263 R HN 0.211 nan 8.270 nan 0.000 0.463 264 V N 1.856 121.804 119.914 0.056 0.000 2.720 264 V HA -0.179 4.324 4.120 0.638 0.000 0.256 264 V C 1.508 177.667 176.094 0.108 0.000 1.082 264 V CA 2.254 64.685 62.300 0.219 0.000 1.101 264 V CB -0.385 31.537 31.823 0.164 0.000 0.693 264 V HN 0.497 nan 8.190 nan 0.000 0.479 265 T N -0.023 114.540 114.554 0.016 0.000 2.881 265 T HA -0.145 4.588 4.350 0.638 0.000 0.270 265 T C 1.708 176.388 174.700 -0.033 0.000 1.068 265 T CA 1.411 63.498 62.100 -0.022 0.000 1.131 265 T CB -0.239 68.588 68.868 -0.069 0.000 0.871 265 T HN 0.550 nan 8.240 nan 0.000 0.479 266 E N 0.807 121.005 120.200 -0.003 0.000 2.153 266 E HA -0.030 4.703 4.350 0.638 0.000 0.194 266 E C 2.108 178.651 176.600 -0.095 0.000 0.988 266 E CA 0.795 57.179 56.400 -0.026 0.000 0.811 266 E CB -0.237 29.503 29.700 0.067 0.000 0.746 266 E HN 0.553 nan 8.360 nan 0.000 0.466 267 I N 1.109 121.636 120.570 -0.072 0.000 2.339 267 I HA -0.175 4.378 4.170 0.638 0.000 0.245 267 I C 1.767 177.723 176.117 -0.268 0.000 1.096 267 I CA 0.645 61.790 61.300 -0.258 0.000 1.408 267 I CB -0.149 37.728 38.000 -0.206 0.000 1.092 267 I HN -0.122 nan 8.210 nan 0.000 0.423 268 D N 0.962 121.288 120.400 -0.124 0.000 2.133 268 D HA -0.246 4.777 4.640 0.638 0.000 0.195 268 D C 2.124 178.304 176.300 -0.200 0.000 0.997 268 D CA 1.221 55.150 54.000 -0.119 0.000 0.840 268 D CB -0.364 40.463 40.800 0.045 0.000 0.947 268 D HN 0.257 nan 8.370 nan 0.000 0.452 269 R N 0.434 120.836 120.500 -0.163 0.000 2.081 269 R HA -0.068 4.655 4.340 0.638 0.000 0.235 269 R C 2.327 178.497 176.300 -0.217 0.000 1.131 269 R CA 0.857 56.860 56.100 -0.162 0.000 0.960 269 R CB -0.244 29.974 30.300 -0.137 0.000 0.856 269 R HN 0.198 nan 8.270 nan 0.000 0.436 270 L N 0.550 121.605 121.223 -0.279 0.000 2.217 270 L HA -0.078 4.645 4.340 0.638 0.000 0.211 270 L C 2.162 178.822 176.870 -0.350 0.000 1.107 270 L CA 0.599 55.251 54.840 -0.313 0.000 0.783 270 L CB -0.145 41.686 42.059 -0.380 0.000 0.919 270 L HN 0.262 nan 8.230 nan 0.000 0.442 271 L N -0.849 120.111 121.223 -0.439 0.000 2.270 271 L HA -0.057 4.666 4.340 0.638 0.000 0.210 271 L C 2.199 178.822 176.870 -0.412 0.000 1.104 271 L CA 0.810 55.345 54.840 -0.507 0.000 0.804 271 L CB -0.233 41.328 42.059 -0.830 0.000 0.937 271 L HN 0.263 nan 8.230 nan 0.000 0.450 272 E N -0.139 119.858 120.200 -0.339 0.000 2.299 272 E HA -0.192 4.541 4.350 0.638 0.000 0.193 272 E C 1.957 178.474 176.600 -0.139 0.000 0.998 272 E CA 0.259 56.544 56.400 -0.191 0.000 0.851 272 E CB 0.141 29.774 29.700 -0.112 0.000 0.795 272 E HN 0.453 nan 8.360 nan 0.000 0.492 273 Q N 1.555 121.259 119.800 -0.160 0.000 2.124 273 Q HA -0.101 4.622 4.340 0.638 0.000 0.202 273 Q C 0.184 176.117 176.000 -0.112 0.000 0.977 273 Q CA 1.089 56.815 55.803 -0.128 0.000 0.850 273 Q CB 0.281 28.932 28.738 -0.145 0.000 0.901 273 Q HN -0.055 nan 8.270 nan 0.000 0.429 274 K N 0.410 120.734 120.400 -0.127 0.000 2.274 274 K HA 0.226 4.929 4.320 0.638 0.000 0.262 274 K C -2.203 174.345 176.600 -0.088 0.000 0.961 274 K CA -2.117 54.110 56.287 -0.101 0.000 0.833 274 K CB 1.874 34.311 32.500 -0.106 0.000 1.102 274 K HN -0.087 nan 8.250 nan 0.000 0.436 275 P HA -0.150 nan 4.420 nan 0.000 0.214 275 P C -0.379 176.898 177.300 -0.038 0.000 1.163 275 P CA 1.399 64.474 63.100 -0.042 0.000 0.889 275 P CB 0.331 32.013 31.700 -0.031 0.000 0.790 276 R N -1.365 119.112 120.500 -0.038 0.000 2.807 276 R HA 0.626 5.348 4.340 0.638 0.000 0.276 276 R C -1.036 175.240 176.300 -0.040 0.000 0.979 276 R CA -0.924 55.158 56.100 -0.029 0.000 0.928 276 R CB 1.469 31.760 30.300 -0.015 0.000 1.191 276 R HN -0.120 nan 8.270 nan 0.000 0.471 277 L N 0.589 121.793 121.223 -0.031 0.000 2.362 277 L HA 0.484 5.207 4.340 0.638 0.000 0.271 277 L C 0.447 177.312 176.870 -0.008 0.000 1.002 277 L CA -0.566 54.253 54.840 -0.034 0.000 0.818 277 L CB 2.100 44.130 42.059 -0.048 0.000 1.298 277 L HN 0.758 nan 8.230 nan 0.000 0.420 278 T N -1.471 113.076 114.554 -0.012 0.000 2.862 278 T HA 0.575 5.308 4.350 0.638 0.000 0.276 278 T C 1.224 175.929 174.700 0.008 0.000 0.974 278 T CA -0.076 62.023 62.100 -0.003 0.000 0.966 278 T CB 1.262 70.120 68.868 -0.016 0.000 1.072 278 T HN 0.607 nan 8.240 nan 0.000 0.538 279 A N 0.671 123.493 122.820 0.003 0.000 1.883 279 A HA -0.098 4.605 4.320 0.638 0.000 0.217 279 A C 2.019 179.586 177.584 -0.029 0.000 1.186 279 A CA 1.850 53.883 52.037 -0.006 0.000 0.624 279 A CB -1.198 17.779 19.000 -0.039 0.000 0.822 279 A HN 0.893 nan 8.150 nan 0.000 0.444 280 D N -0.408 119.946 120.400 -0.077 0.000 2.123 280 D HA -0.159 4.864 4.640 0.638 0.000 0.196 280 D C 2.234 178.538 176.300 0.007 0.000 0.992 280 D CA 1.632 55.587 54.000 -0.074 0.000 0.833 280 D CB -0.442 40.299 40.800 -0.099 0.000 0.954 280 D HN 0.658 nan 8.370 nan 0.000 0.455 281 Q N 0.152 119.945 119.800 -0.012 0.000 2.119 281 Q HA -0.011 4.712 4.340 0.638 0.000 0.201 281 Q C 2.192 178.187 176.000 -0.008 0.000 0.972 281 Q CA 1.283 57.069 55.803 -0.030 0.000 0.847 281 Q CB -0.085 28.619 28.738 -0.057 0.000 0.903 281 Q HN 0.219 nan 8.270 nan 0.000 0.433 282 A N 0.860 123.719 122.820 0.064 0.000 1.930 282 A HA -0.182 4.521 4.320 0.638 0.000 0.217 282 A C 1.724 179.507 177.584 0.332 0.000 1.175 282 A CA 0.867 53.022 52.037 0.195 0.000 0.627 282 A CB -0.952 18.203 19.000 0.257 0.000 0.815 282 A HN 0.676 nan 8.150 nan 0.000 0.443 283 W N 1.177 122.494 121.300 0.027 0.000 2.381 283 W HA -0.147 4.900 4.660 0.645 0.000 0.301 283 W C 0.784 177.283 176.519 -0.033 0.000 1.205 283 W CA 1.861 59.195 57.345 -0.018 0.000 1.285 283 W CB -0.262 29.097 29.460 -0.168 0.000 1.133 283 W HN 0.391 nan 8.180 nan 0.000 0.521 284 D N 0.483 120.907 120.400 0.039 0.000 2.221 284 D HA -0.160 4.863 4.640 0.638 0.000 0.204 284 D C 2.191 178.333 176.300 -0.263 0.000 0.982 284 D CA 1.186 55.107 54.000 -0.132 0.000 0.857 284 D CB -0.480 40.255 40.800 -0.108 0.000 0.934 284 D HN 0.029 nan 8.370 nan 0.000 0.475 285 V N 0.820 120.587 119.914 -0.245 0.000 2.867 285 V HA -0.202 4.301 4.120 0.638 0.000 0.260 285 V C 2.273 178.137 176.094 -0.384 0.000 1.099 285 V CA 0.834 62.861 62.300 -0.454 0.000 1.122 285 V CB -0.334 30.940 31.823 -0.916 0.000 0.708 285 V HN 0.223 nan 8.190 nan 0.000 0.490 286 I N -0.142 120.292 120.570 -0.227 0.000 2.162 286 I HA -0.205 4.347 4.170 0.638 0.000 0.238 286 I C 2.704 178.606 176.117 -0.357 0.000 1.076 286 I CA 1.748 62.915 61.300 -0.221 0.000 1.353 286 I CB -0.509 37.222 38.000 -0.447 0.000 1.063 286 I HN 0.187 nan 8.210 nan 0.000 0.408 287 R N 0.809 120.887 120.500 -0.703 0.000 2.112 287 R HA -0.268 4.455 4.340 0.638 0.000 0.242 287 R C 2.366 178.347 176.300 -0.531 0.000 1.137 287 R CA 1.928 57.339 56.100 -1.149 0.000 0.944 287 R CB -0.206 29.268 30.300 -1.376 0.000 0.857 287 R HN 0.353 nan 8.270 nan 0.000 0.435 288 Q N -0.198 119.361 119.800 -0.402 0.000 2.046 288 Q HA -0.118 4.605 4.340 0.638 0.000 0.200 288 Q C 2.296 178.172 176.000 -0.206 0.000 0.975 288 Q CA 2.354 57.987 55.803 -0.283 0.000 0.836 288 Q CB -0.675 27.894 28.738 -0.282 0.000 0.896 288 Q HN 0.653 nan 8.270 nan 0.000 0.428 289 T N -0.893 113.530 114.554 -0.219 0.000 2.915 289 T HA -0.096 4.637 4.350 0.638 0.000 0.269 289 T C 2.021 176.751 174.700 0.051 0.000 1.071 289 T CA 1.464 63.511 62.100 -0.088 0.000 1.132 289 T CB -0.341 68.394 68.868 -0.222 0.000 0.878 289 T HN 0.308 nan 8.240 nan 0.000 0.479 290 S N 1.485 117.181 115.700 -0.006 0.000 2.481 290 S HA 0.055 4.908 4.470 0.638 0.000 0.231 290 S C 1.962 176.627 174.600 0.108 0.000 0.996 290 S CA -0.030 58.224 58.200 0.091 0.000 0.942 290 S CB -0.344 62.926 63.200 0.116 0.000 0.768 290 S HN 0.626 nan 8.310 nan 0.000 0.520 291 R N 0.084 120.606 120.500 0.036 0.000 2.365 291 R HA 0.294 5.017 4.340 0.638 0.000 0.223 291 R C 0.263 176.531 176.300 -0.054 0.000 0.899 291 R CA -0.099 56.014 56.100 0.021 0.000 1.059 291 R CB 0.039 30.331 30.300 -0.013 0.000 1.086 291 R HN 0.344 nan 8.270 nan 0.000 0.522 292 Q N 2.522 122.291 119.800 -0.052 0.000 2.281 292 Q HA -0.033 4.690 4.340 0.638 0.000 0.267 292 Q C -0.624 175.318 176.000 -0.097 0.000 1.053 292 Q CA 0.190 55.919 55.803 -0.123 0.000 0.905 292 Q CB 0.605 29.287 28.738 -0.093 0.000 1.195 292 Q HN 0.007 nan 8.270 nan 0.000 0.398 293 D N 4.194 124.483 120.400 -0.186 0.000 2.425 293 D HA -0.042 4.981 4.640 0.638 0.000 0.247 293 D C 0.191 176.444 176.300 -0.079 0.000 1.147 293 D CA 0.165 54.125 54.000 -0.066 0.000 0.879 293 D CB 0.837 41.621 40.800 -0.027 0.000 1.179 293 D HN 0.759 nan 8.370 nan 0.000 0.456 294 L N 3.471 124.665 121.223 -0.049 0.000 2.567 294 L HA 0.055 4.778 4.340 0.638 0.000 0.225 294 L C 1.702 178.539 176.870 -0.056 0.000 1.119 294 L CA 0.011 54.790 54.840 -0.102 0.000 0.871 294 L CB -0.134 41.816 42.059 -0.183 0.000 1.036 294 L HN 0.381 nan 8.230 nan 0.000 0.459 295 N N -0.277 118.470 118.700 0.078 0.000 2.368 295 N HA -0.009 5.114 4.740 0.638 0.000 0.178 295 N C 1.740 177.386 175.510 0.228 0.000 1.076 295 N CA 0.218 53.404 53.050 0.227 0.000 0.889 295 N CB 0.527 39.291 38.487 0.462 0.000 1.040 295 N HN 0.141 nan 8.380 nan 0.000 0.463 296 L N 2.644 123.950 121.223 0.138 0.000 1.956 296 L HA -0.164 4.559 4.340 0.638 0.000 0.216 296 L C 2.468 179.353 176.870 0.025 0.000 1.073 296 L CA 1.845 56.739 54.840 0.091 0.000 0.762 296 L CB -0.630 41.402 42.059 -0.045 0.000 0.889 296 L HN 0.038 nan 8.230 nan 0.000 0.433 297 R N -0.736 119.728 120.500 -0.059 0.000 2.139 297 R HA -0.179 4.544 4.340 0.638 0.000 0.243 297 R C 2.164 178.408 176.300 -0.094 0.000 1.145 297 R CA 1.910 57.960 56.100 -0.085 0.000 0.976 297 R CB -0.357 29.871 30.300 -0.121 0.000 0.866 297 R HN 0.539 nan 8.270 nan 0.000 0.449 298 L N -0.955 120.162 121.223 -0.177 0.000 2.209 298 L HA 0.000 4.723 4.340 0.638 0.000 0.207 298 L C 1.296 177.987 176.870 -0.298 0.000 1.094 298 L CA 0.791 55.408 54.840 -0.371 0.000 0.790 298 L CB -0.045 41.516 42.059 -0.831 0.000 0.932 298 L HN 0.131 nan 8.230 nan 0.000 0.447 299 F N -2.106 117.945 119.950 0.168 0.000 2.706 299 F HA 0.113 5.020 4.527 0.635 0.000 0.308 299 F C 1.681 177.479 175.800 -0.003 0.000 1.095 299 F CA -0.320 57.773 58.000 0.156 0.000 1.244 299 F CB -0.061 39.072 39.000 0.222 0.000 1.063 299 F HN -0.154 nan 8.300 nan 0.000 0.582 300 L N 2.144 123.437 121.223 0.116 0.000 2.013 300 L HA -0.090 4.633 4.340 0.638 0.000 0.212 300 L C -0.675 176.208 176.870 0.022 0.000 1.073 300 L CA 2.458 57.316 54.840 0.029 0.000 0.753 300 L CB -1.717 40.352 42.059 0.017 0.000 0.890 300 L HN -0.089 nan 8.230 nan 0.000 0.432 301 P HA -0.122 nan 4.420 nan 0.000 0.215 301 P C 1.706 179.032 177.300 0.042 0.000 1.153 301 P CA 1.817 64.935 63.100 0.030 0.000 0.853 301 P CB -0.147 31.573 31.700 0.033 0.000 0.788 302 T N -0.492 114.119 114.554 0.095 0.000 2.746 302 T HA -0.094 4.639 4.350 0.638 0.000 0.267 302 T C 1.704 176.448 174.700 0.073 0.000 1.039 302 T CA 1.063 63.238 62.100 0.124 0.000 1.142 302 T CB -0.866 68.170 68.868 0.279 0.000 0.866 302 T HN 0.039 nan 8.240 nan 0.000 0.444 303 L N 0.482 121.705 121.223 0.001 0.000 2.093 303 L HA -0.124 4.599 4.340 0.638 0.000 0.208 303 L C 2.831 179.668 176.870 -0.056 0.000 1.085 303 L CA 1.336 56.114 54.840 -0.103 0.000 0.755 303 L CB -0.456 41.443 42.059 -0.267 0.000 0.904 303 L HN 0.299 nan 8.230 nan 0.000 0.435 304 Q N -0.409 119.370 119.800 -0.034 0.000 2.046 304 Q HA -0.180 4.543 4.340 0.638 0.000 0.200 304 Q C 2.470 178.460 176.000 -0.018 0.000 0.975 304 Q CA 1.632 57.419 55.803 -0.028 0.000 0.836 304 Q CB -0.332 28.393 28.738 -0.021 0.000 0.896 304 Q HN 0.543 nan 8.270 nan 0.000 0.428 305 A N 1.205 124.021 122.820 -0.006 0.000 1.892 305 A HA -0.216 4.487 4.320 0.638 0.000 0.218 305 A C 2.306 179.887 177.584 -0.005 0.000 1.188 305 A CA 1.856 53.890 52.037 -0.006 0.000 0.631 305 A CB -0.998 18.001 19.000 -0.002 0.000 0.822 305 A HN 0.421 nan 8.150 nan 0.000 0.447 306 A N -0.770 122.054 122.820 0.007 0.000 1.972 306 A HA -0.037 4.666 4.320 0.638 0.000 0.219 306 A C 2.183 179.769 177.584 0.004 0.000 1.169 306 A CA 2.272 54.318 52.037 0.016 0.000 0.635 306 A CB -0.943 18.088 19.000 0.052 0.000 0.810 306 A HN 0.824 nan 8.150 nan 0.000 0.446 307 T N -2.618 111.930 114.554 -0.010 0.000 3.069 307 T HA 0.104 4.837 4.350 0.638 0.000 0.252 307 T C 1.632 176.315 174.700 -0.028 0.000 1.053 307 T CA 0.847 62.934 62.100 -0.022 0.000 0.964 307 T CB -0.163 68.682 68.868 -0.039 0.000 1.005 307 T HN 0.565 nan 8.240 nan 0.000 0.532 308 S N 1.474 117.161 115.700 -0.023 0.000 2.400 308 S HA 0.058 4.910 4.470 0.638 0.000 0.232 308 S C 1.950 176.535 174.600 -0.024 0.000 1.025 308 S CA 0.880 59.066 58.200 -0.025 0.000 0.993 308 S CB -0.937 62.251 63.200 -0.021 0.000 0.808 308 S HN 0.619 nan 8.310 nan 0.000 0.478 309 G N 0.858 109.645 108.800 -0.022 0.000 3.523 309 G HA2 0.530 4.873 3.960 0.638 0.000 0.270 309 G HA3 0.530 4.873 3.960 0.638 0.000 0.270 309 G C -0.017 174.870 174.900 -0.023 0.000 1.134 309 G CA -0.537 44.550 45.100 -0.021 0.000 0.825 309 G HN 0.415 nan 8.290 nan 0.000 0.534 310 L N 1.113 122.319 121.223 -0.029 0.000 2.352 310 L HA 0.441 5.164 4.340 0.638 0.000 0.269 310 L C 1.161 178.007 176.870 -0.040 0.000 1.034 310 L CA -1.004 53.816 54.840 -0.033 0.000 0.806 310 L CB 1.506 43.541 42.059 -0.039 0.000 1.244 310 L HN 0.144 nan 8.230 nan 0.000 0.447 311 T N -2.345 112.185 114.554 -0.041 0.000 2.802 311 T HA -0.053 4.680 4.350 0.638 0.000 0.305 311 T C 0.747 175.413 174.700 -0.058 0.000 1.053 311 T CA -0.403 61.671 62.100 -0.043 0.000 1.058 311 T CB 0.949 69.793 68.868 -0.039 0.000 0.988 311 T HN 0.640 nan 8.240 nan 0.000 0.539 312 Q N 0.668 120.434 119.800 -0.056 0.000 2.167 312 Q HA -0.128 4.595 4.340 0.638 0.000 0.202 312 Q C 2.096 178.044 176.000 -0.087 0.000 0.970 312 Q CA 2.035 57.798 55.803 -0.067 0.000 0.855 312 Q CB -0.595 28.110 28.738 -0.055 0.000 0.911 312 Q HN 0.913 nan 8.270 nan 0.000 0.438 313 S N -0.242 115.409 115.700 -0.081 0.000 2.603 313 S HA 0.011 4.864 4.470 0.638 0.000 0.220 313 S C 0.440 174.959 174.600 -0.135 0.000 0.967 313 S CA -0.236 57.906 58.200 -0.098 0.000 0.920 313 S CB 0.056 63.216 63.200 -0.067 0.000 0.773 313 S HN 0.180 nan 8.310 nan 0.000 0.529 314 D N 3.559 123.879 120.400 -0.133 0.000 2.371 314 D HA 0.155 5.178 4.640 0.638 0.000 0.256 314 D C -1.252 174.891 176.300 -0.262 0.000 1.193 314 D CA -1.870 52.033 54.000 -0.161 0.000 0.881 314 D CB 1.655 42.388 40.800 -0.110 0.000 1.143 314 D HN 0.106 nan 8.370 nan 0.000 0.473 315 P HA -0.115 nan 4.420 nan 0.000 0.218 315 P C 1.097 178.087 177.300 -0.517 0.000 1.149 315 P CA 0.808 63.452 63.100 -0.760 0.000 0.817 315 P CB 0.535 31.377 31.700 -1.431 0.000 0.785 316 R N 0.260 120.592 120.500 -0.281 0.000 2.073 316 R HA -0.109 4.614 4.340 0.638 0.000 0.234 316 R C 2.717 178.949 176.300 -0.112 0.000 1.134 316 R CA 1.597 57.632 56.100 -0.110 0.000 0.952 316 R CB -0.771 29.512 30.300 -0.029 0.000 0.850 316 R HN 0.103 nan 8.270 nan 0.000 0.433 317 R N 0.995 121.420 120.500 -0.125 0.000 2.091 317 R HA -0.167 4.556 4.340 0.638 0.000 0.238 317 R C 2.024 178.247 176.300 -0.129 0.000 1.136 317 R CA 1.585 57.620 56.100 -0.109 0.000 0.959 317 R CB -0.087 30.153 30.300 -0.101 0.000 0.856 317 R HN 0.140 nan 8.270 nan 0.000 0.437 318 Q N 0.314 120.005 119.800 -0.183 0.000 2.230 318 Q HA -0.026 4.697 4.340 0.638 0.000 0.202 318 Q C 2.195 178.096 176.000 -0.165 0.000 0.963 318 Q CA 1.078 56.768 55.803 -0.189 0.000 0.866 318 Q CB -0.105 28.481 28.738 -0.254 0.000 0.931 318 Q HN 0.441 nan 8.270 nan 0.000 0.452 319 L N -0.388 120.749 121.223 -0.143 0.000 2.083 319 L HA -0.140 4.583 4.340 0.638 0.000 0.209 319 L C 2.259 179.084 176.870 -0.076 0.000 1.083 319 L CA 0.733 55.532 54.840 -0.068 0.000 0.752 319 L CB -0.431 41.648 42.059 0.033 0.000 0.899 319 L HN 0.026 nan 8.230 nan 0.000 0.433 320 V N -0.494 119.367 119.914 -0.089 0.000 2.427 320 V HA -0.197 4.306 4.120 0.638 0.000 0.248 320 V C 2.487 178.543 176.094 -0.064 0.000 1.051 320 V CA 1.431 63.679 62.300 -0.087 0.000 1.048 320 V CB -0.442 31.324 31.823 -0.095 0.000 0.666 320 V HN 0.424 nan 8.190 nan 0.000 0.456 321 E N 0.154 120.309 120.200 -0.074 0.000 2.077 321 E HA -0.185 4.547 4.350 0.638 0.000 0.193 321 E C 2.298 178.867 176.600 -0.051 0.000 0.989 321 E CA 1.834 58.197 56.400 -0.061 0.000 0.800 321 E CB -0.664 28.991 29.700 -0.075 0.000 0.746 321 E HN 0.580 nan 8.360 nan 0.000 0.452 322 T N 2.282 116.789 114.554 -0.077 0.000 2.665 322 T HA -0.154 4.579 4.350 0.638 0.000 0.268 322 T C 2.145 176.834 174.700 -0.019 0.000 1.035 322 T CA 1.130 63.178 62.100 -0.087 0.000 1.151 322 T CB -0.306 68.476 68.868 -0.144 0.000 0.862 322 T HN 0.100 nan 8.240 nan 0.000 0.438 323 L N 0.470 121.700 121.223 0.010 0.000 2.093 323 L HA -0.090 4.633 4.340 0.638 0.000 0.208 323 L C 2.923 179.874 176.870 0.136 0.000 1.085 323 L CA 1.112 56.026 54.840 0.123 0.000 0.755 323 L CB -0.957 41.149 42.059 0.078 0.000 0.904 323 L HN 0.278 nan 8.230 nan 0.000 0.435 324 T N -0.638 113.946 114.554 0.050 0.000 2.788 324 T HA -0.151 4.582 4.350 0.638 0.000 0.268 324 T C 1.919 176.648 174.700 0.047 0.000 1.044 324 T CA 1.134 63.253 62.100 0.032 0.000 1.139 324 T CB -0.136 68.730 68.868 -0.003 0.000 0.867 324 T HN 0.288 nan 8.240 nan 0.000 0.454 325 R N -0.883 119.653 120.500 0.059 0.000 2.307 325 R HA 0.050 4.773 4.340 0.638 0.000 0.199 325 R C 0.205 176.590 176.300 0.142 0.000 1.000 325 R CA -0.011 56.126 56.100 0.063 0.000 1.023 325 R CB 0.118 30.435 30.300 0.028 0.000 0.908 325 R HN 0.307 nan 8.270 nan 0.000 0.473 326 W N 2.539 123.806 121.300 -0.054 0.000 2.376 326 W HA 0.066 5.109 4.660 0.638 0.000 0.322 326 W C 0.340 176.826 176.519 -0.057 0.000 1.160 326 W CA -1.554 55.758 57.345 -0.055 0.000 1.218 326 W CB 0.929 30.356 29.460 -0.055 0.000 1.205 326 W HN 0.071 nan 8.180 nan 0.000 0.559 327 D N 1.601 121.843 120.400 -0.265 0.000 2.347 327 D HA 0.102 5.124 4.640 0.638 0.000 0.213 327 D C 1.660 177.456 176.300 -0.840 0.000 0.985 327 D CA 0.781 54.531 54.000 -0.418 0.000 0.879 327 D CB -0.298 40.354 40.800 -0.247 0.000 0.919 327 D HN 0.722 nan 8.370 nan 0.000 0.526 328 G N 0.091 107.708 108.800 -1.971 0.000 2.179 328 G HA2 -0.230 4.113 3.960 0.638 0.000 0.260 328 G HA3 -0.230 4.113 3.960 0.638 0.000 0.260 328 G C -0.029 174.145 174.900 -1.209 0.000 0.977 328 G CA 0.156 43.880 45.100 -2.294 0.000 0.641 328 G HN 0.344 nan 8.290 nan 0.000 0.533 329 I N 2.049 122.188 120.570 -0.719 0.000 2.291 329 I HA 0.216 4.768 4.170 0.638 0.000 0.292 329 I C 0.196 176.276 176.117 -0.061 0.000 1.064 329 I CA -1.017 60.109 61.300 -0.289 0.000 1.269 329 I CB 0.093 37.972 38.000 -0.202 0.000 1.418 329 I HN 0.034 nan 8.210 nan 0.000 0.485 330 N N 7.333 125.967 118.700 -0.111 0.000 2.513 330 N HA 0.397 5.520 4.740 0.638 0.000 0.268 330 N C -0.404 175.079 175.510 -0.045 0.000 1.180 330 N CA 0.013 52.923 53.050 -0.233 0.000 0.948 330 N CB 1.718 39.587 38.487 -1.029 0.000 1.083 330 N HN 0.445 nan 8.380 nan 0.000 0.455 331 L N 1.647 122.923 121.223 0.088 0.000 2.354 331 L HA 0.491 5.214 4.340 0.638 0.000 0.264 331 L C 0.013 177.132 176.870 0.416 0.000 1.008 331 L CA -0.870 54.106 54.840 0.227 0.000 0.819 331 L CB 1.966 44.117 42.059 0.153 0.000 1.339 331 L HN 0.193 nan 8.230 nan 0.000 0.420 332 L N 1.490 122.920 121.223 0.344 0.000 2.395 332 L HA 0.267 4.990 4.340 0.638 0.000 0.269 332 L C 0.217 177.199 176.870 0.187 0.000 1.133 332 L CA -0.154 54.856 54.840 0.284 0.000 0.812 332 L CB 1.053 43.223 42.059 0.185 0.000 1.125 332 L HN 0.656 nan 8.230 nan 0.000 0.452 333 N N 0.599 119.388 118.700 0.148 0.000 2.317 333 N HA -0.030 5.093 4.740 0.638 0.000 0.245 333 N C 0.384 175.940 175.510 0.078 0.000 1.294 333 N CA -0.617 52.494 53.050 0.101 0.000 0.924 333 N CB 0.639 39.175 38.487 0.081 0.000 1.186 333 N HN 0.535 nan 8.380 nan 0.000 0.495 334 D N 0.293 120.731 120.400 0.062 0.000 2.265 334 D HA -0.166 4.857 4.640 0.638 0.000 0.208 334 D C 0.986 177.313 176.300 0.045 0.000 0.977 334 D CA 1.107 55.138 54.000 0.051 0.000 0.871 334 D CB -0.332 40.494 40.800 0.043 0.000 0.925 334 D HN 0.596 nan 8.370 nan 0.000 0.485 335 D N -0.506 119.920 120.400 0.042 0.000 2.312 335 D HA -0.011 5.012 4.640 0.638 0.000 0.211 335 D C 1.655 177.973 176.300 0.031 0.000 0.964 335 D CA 1.052 55.071 54.000 0.032 0.000 0.877 335 D CB -0.579 40.237 40.800 0.026 0.000 0.924 335 D HN 0.188 nan 8.370 nan 0.000 0.515 336 G N 0.162 108.985 108.800 0.039 0.000 2.155 336 G HA2 -0.321 4.022 3.960 0.638 0.000 0.257 336 G HA3 -0.321 4.022 3.960 0.638 0.000 0.257 336 G C 1.106 176.015 174.900 0.015 0.000 0.983 336 G CA 0.706 45.830 45.100 0.039 0.000 0.676 336 G HN 0.376 nan 8.290 nan 0.000 0.528 337 K N -0.669 119.725 120.400 -0.010 0.000 2.443 337 K HA 0.193 4.896 4.320 0.638 0.000 0.200 337 K C 1.345 177.872 176.600 -0.122 0.000 1.278 337 K CA 1.499 57.755 56.287 -0.051 0.000 0.925 337 K CB 0.358 32.841 32.500 -0.028 0.000 1.225 337 K HN 0.730 nan 8.250 nan 0.000 0.514 338 T N -2.177 112.330 114.554 -0.080 0.000 2.942 338 T HA 0.500 5.233 4.350 0.638 0.000 0.289 338 T C -0.540 174.159 174.700 -0.002 0.000 1.044 338 T CA -0.794 61.252 62.100 -0.091 0.000 1.023 338 T CB 1.664 70.529 68.868 -0.004 0.000 1.123 338 T HN -0.062 nan 8.240 nan 0.000 0.512 339 W N 1.240 122.558 121.300 0.031 0.000 2.376 339 W HA 0.374 5.414 4.660 0.633 0.000 0.322 339 W C 1.628 178.150 176.519 0.007 0.000 1.160 339 W CA -1.097 56.270 57.345 0.037 0.000 1.218 339 W CB 0.913 30.401 29.460 0.046 0.000 1.205 339 W HN 0.934 nan 8.180 nan 0.000 0.559 340 Q N 0.697 120.666 119.800 0.282 0.000 2.135 340 Q HA -0.184 4.539 4.340 0.638 0.000 0.204 340 Q C 0.387 176.407 176.000 0.033 0.000 0.981 340 Q CA 1.274 57.155 55.803 0.130 0.000 0.856 340 Q CB 0.217 29.024 28.738 0.115 0.000 0.902 340 Q HN 0.312 nan 8.270 nan 0.000 0.425 341 Q N -0.581 119.196 119.800 -0.039 0.000 2.348 341 Q HA 0.231 4.954 4.340 0.638 0.000 0.271 341 Q C -2.090 173.725 176.000 -0.308 0.000 1.067 341 Q CA -1.925 53.709 55.803 -0.283 0.000 0.839 341 Q CB 1.330 29.684 28.738 -0.641 0.000 1.354 341 Q HN -0.003 nan 8.270 nan 0.000 0.447 342 P HA 0.064 nan 4.420 nan 0.000 0.262 342 P C 0.942 178.079 177.300 -0.271 0.000 1.304 342 P CA 0.253 63.257 63.100 -0.161 0.000 0.859 342 P CB 0.203 31.947 31.700 0.074 0.000 1.310 343 G N 1.136 109.498 108.800 -0.729 0.000 2.469 343 G HA2 -0.282 4.061 3.960 0.638 0.000 0.219 343 G HA3 -0.282 4.061 3.960 0.638 0.000 0.219 343 G C 1.622 176.435 174.900 -0.144 0.000 1.150 343 G CA 0.958 45.647 45.100 -0.685 0.000 0.763 343 G HN 0.257 nan 8.290 nan 0.000 0.561 344 S N 0.906 116.562 115.700 -0.074 0.000 2.383 344 S HA 0.079 4.932 4.470 0.638 0.000 0.227 344 S C 2.782 177.277 174.600 -0.174 0.000 1.026 344 S CA 1.068 59.300 58.200 0.053 0.000 0.981 344 S CB -0.326 62.995 63.200 0.202 0.000 0.818 344 S HN 0.610 nan 8.310 nan 0.000 0.472 345 A N 1.501 124.295 122.820 -0.044 0.000 1.902 345 A HA -0.046 4.657 4.320 0.638 0.000 0.217 345 A C 2.055 179.628 177.584 -0.018 0.000 1.181 345 A CA 1.154 53.166 52.037 -0.041 0.000 0.623 345 A CB -0.694 18.315 19.000 0.016 0.000 0.818 345 A HN 0.463 nan 8.150 nan 0.000 0.443 346 I N -0.444 120.150 120.570 0.039 0.000 2.142 346 I HA -0.276 4.277 4.170 0.638 0.000 0.240 346 I C 2.438 178.637 176.117 0.136 0.000 1.078 346 I CA 1.293 62.666 61.300 0.120 0.000 1.343 346 I CB -0.349 37.722 38.000 0.118 0.000 1.046 346 I HN 0.289 nan 8.210 nan 0.000 0.405 347 L N 0.380 121.664 121.223 0.102 0.000 2.042 347 L HA -0.281 4.441 4.340 0.638 0.000 0.210 347 L C 2.401 179.381 176.870 0.184 0.000 1.076 347 L CA 1.818 56.785 54.840 0.212 0.000 0.749 347 L CB -0.850 41.376 42.059 0.278 0.000 0.893 347 L HN 0.432 nan 8.230 nan 0.000 0.432 348 N N -0.026 118.560 118.700 -0.191 0.000 2.043 348 N HA -0.189 4.934 4.740 0.638 0.000 0.193 348 N C 1.825 177.365 175.510 0.049 0.000 1.037 348 N CA 1.718 54.645 53.050 -0.206 0.000 0.851 348 N CB 0.115 38.294 38.487 -0.513 0.000 1.027 348 N HN 0.071 nan 8.380 nan 0.000 0.422 349 V N -0.005 119.947 119.914 0.064 0.000 2.307 349 V HA -0.196 4.307 4.120 0.638 0.000 0.245 349 V C 1.953 178.132 176.094 0.141 0.000 1.045 349 V CA 1.872 64.229 62.300 0.095 0.000 1.024 349 V CB -0.946 30.936 31.823 0.100 0.000 0.651 349 V HN 0.533 nan 8.190 nan 0.000 0.449 350 W N 0.388 121.705 121.300 0.030 0.000 2.335 350 W HA -0.223 4.819 4.660 0.635 0.000 0.311 350 W C 2.166 178.681 176.519 -0.007 0.000 1.213 350 W CA 1.803 59.165 57.345 0.029 0.000 1.274 350 W CB -0.380 29.106 29.460 0.044 0.000 1.148 350 W HN 0.186 nan 8.180 nan 0.000 0.498 351 L N 0.731 122.009 121.223 0.091 0.000 2.046 351 L HA -0.165 4.558 4.340 0.638 0.000 0.208 351 L C 2.409 179.148 176.870 -0.218 0.000 1.077 351 L CA 2.697 57.410 54.840 -0.211 0.000 0.747 351 L CB -1.433 40.697 42.059 0.118 0.000 0.896 351 L HN -0.034 nan 8.230 nan 0.000 0.432 352 T N -1.577 112.942 114.554 -0.059 0.000 2.720 352 T HA -0.210 4.523 4.350 0.638 0.000 0.268 352 T C 2.112 176.742 174.700 -0.118 0.000 1.037 352 T CA 1.674 63.748 62.100 -0.044 0.000 1.144 352 T CB -0.332 68.544 68.868 0.014 0.000 0.864 352 T HN 0.443 nan 8.240 nan 0.000 0.444 353 S N 0.196 115.795 115.700 -0.168 0.000 2.368 353 S HA -0.062 4.791 4.470 0.638 0.000 0.224 353 S C 2.139 176.567 174.600 -0.288 0.000 1.029 353 S CA 0.808 58.895 58.200 -0.187 0.000 0.988 353 S CB -0.297 62.813 63.200 -0.150 0.000 0.838 353 S HN 0.212 nan 8.310 nan 0.000 0.462 354 M N 1.118 120.408 119.600 -0.516 0.000 2.086 354 M HA -0.021 4.841 4.480 0.638 0.000 0.261 354 M C 2.183 178.273 176.300 -0.350 0.000 1.067 354 M CA 1.358 56.326 55.300 -0.553 0.000 1.116 354 M CB -1.608 30.416 32.600 -0.961 0.000 1.348 354 M HN 0.359 nan 8.290 nan 0.000 0.407 355 L N -0.135 120.920 121.223 -0.280 0.000 2.042 355 L HA -0.239 4.484 4.340 0.638 0.000 0.210 355 L C 2.574 179.372 176.870 -0.120 0.000 1.076 355 L CA 1.409 56.153 54.840 -0.159 0.000 0.749 355 L CB -0.793 41.225 42.059 -0.068 0.000 0.893 355 L HN 0.354 nan 8.230 nan 0.000 0.432 356 K N 0.609 120.943 120.400 -0.110 0.000 2.148 356 K HA -0.149 4.554 4.320 0.638 0.000 0.204 356 K C 2.151 178.695 176.600 -0.093 0.000 1.050 356 K CA 1.150 57.391 56.287 -0.077 0.000 0.942 356 K CB 0.084 32.549 32.500 -0.059 0.000 0.724 356 K HN 0.255 nan 8.250 nan 0.000 0.446 357 R N 0.017 120.439 120.500 -0.130 0.000 2.200 357 R HA -0.004 4.719 4.340 0.638 0.000 0.208 357 R C 1.879 178.078 176.300 -0.168 0.000 1.033 357 R CA 1.385 57.412 56.100 -0.121 0.000 1.000 357 R CB 0.198 30.433 30.300 -0.108 0.000 0.906 357 R HN 0.437 nan 8.270 nan 0.000 0.462 358 T N -2.687 111.727 114.554 -0.232 0.000 3.422 358 T HA 0.073 4.806 4.350 0.638 0.000 0.192 358 T C 1.837 176.400 174.700 -0.229 0.000 0.857 358 T CA 0.114 62.021 62.100 -0.323 0.000 1.400 358 T CB -0.672 67.859 68.868 -0.562 0.000 1.864 358 T HN -0.163 nan 8.240 nan 0.000 0.415 359 V N 2.139 121.926 119.914 -0.211 0.000 2.324 359 V HA -0.157 4.346 4.120 0.638 0.000 0.250 359 V C 2.963 178.986 176.094 -0.119 0.000 1.060 359 V CA 1.853 64.048 62.300 -0.175 0.000 1.042 359 V CB -1.156 30.581 31.823 -0.143 0.000 0.650 359 V HN 0.475 nan 8.190 nan 0.000 0.450 360 V N 0.283 120.165 119.914 -0.053 0.000 2.407 360 V HA -0.233 4.270 4.120 0.638 0.000 0.248 360 V C 2.669 178.741 176.094 -0.037 0.000 1.055 360 V CA 1.982 64.281 62.300 -0.001 0.000 1.049 360 V CB -1.036 30.792 31.823 0.009 0.000 0.662 360 V HN 0.579 nan 8.190 nan 0.000 0.455 361 A N -0.442 122.337 122.820 -0.068 0.000 2.067 361 A HA 0.102 4.805 4.320 0.638 0.000 0.219 361 A C 2.194 179.738 177.584 -0.066 0.000 1.158 361 A CA 1.576 53.575 52.037 -0.063 0.000 0.661 361 A CB -0.377 18.580 19.000 -0.071 0.000 0.801 361 A HN 0.565 nan 8.150 nan 0.000 0.452 362 A N -1.001 121.766 122.820 -0.087 0.000 2.238 362 A HA 0.477 5.180 4.320 0.638 0.000 0.210 362 A C 0.538 178.070 177.584 -0.086 0.000 1.179 362 A CA 0.218 52.202 52.037 -0.088 0.000 0.827 362 A CB 0.035 18.969 19.000 -0.110 0.000 0.856 362 A HN 0.216 nan 8.150 nan 0.000 0.488 363 V N 2.814 122.682 119.914 -0.076 0.000 2.427 363 V HA 0.300 4.803 4.120 0.638 0.000 0.286 363 V C -2.343 173.741 176.094 -0.017 0.000 1.034 363 V CA -1.973 60.292 62.300 -0.057 0.000 0.893 363 V CB 1.508 33.312 31.823 -0.031 0.000 0.982 363 V HN 0.257 nan 8.190 nan 0.000 0.452 364 P HA 0.127 nan 4.420 nan 0.000 0.268 364 P C -0.267 177.067 177.300 0.057 0.000 1.204 364 P CA -0.072 63.048 63.100 0.032 0.000 0.768 364 P CB 0.474 32.205 31.700 0.051 0.000 0.842 365 M N 5.037 124.621 119.600 -0.027 0.000 2.252 365 M HA 0.072 4.935 4.480 0.638 0.000 0.333 365 M C -1.059 175.106 176.300 -0.226 0.000 1.111 365 M CA -0.869 54.356 55.300 -0.124 0.000 1.140 365 M CB -0.040 32.500 32.600 -0.099 0.000 1.538 365 M HN 0.296 nan 8.290 nan 0.000 0.448 366 P HA 0.109 nan 4.420 nan 0.000 0.261 366 P C 0.467 177.360 177.300 -0.678 0.000 1.352 366 P CA 0.427 63.234 63.100 -0.488 0.000 0.891 366 P CB -0.050 31.381 31.700 -0.449 0.000 1.383 367 F N 2.258 121.870 119.950 -0.563 0.000 2.333 367 F HA -0.159 4.749 4.527 0.635 0.000 0.300 367 F C 2.150 177.587 175.800 -0.605 0.000 1.083 367 F CA 1.354 58.710 58.000 -1.074 0.000 1.395 367 F CB -1.133 37.251 39.000 -1.026 0.000 1.056 367 F HN 0.028 nan 8.300 nan 0.000 0.529 368 D N 0.563 120.890 120.400 -0.122 0.000 2.158 368 D HA -0.221 4.802 4.640 0.638 0.000 0.197 368 D C 1.637 177.973 176.300 0.060 0.000 0.995 368 D CA 1.155 55.180 54.000 0.043 0.000 0.846 368 D CB -0.560 40.242 40.800 0.002 0.000 0.941 368 D HN 0.112 nan 8.370 nan 0.000 0.456 369 K N 0.111 120.484 120.400 -0.045 0.000 2.218 369 K HA -0.134 4.569 4.320 0.638 0.000 0.205 369 K C 1.849 178.537 176.600 0.146 0.000 1.046 369 K CA 0.591 56.903 56.287 0.041 0.000 0.933 369 K CB -0.712 31.808 32.500 0.033 0.000 0.728 369 K HN 0.411 nan 8.250 nan 0.000 0.454 370 W N -0.080 121.119 121.300 -0.168 0.000 2.468 370 W HA -0.108 4.947 4.660 0.658 0.000 0.262 370 W C 0.915 177.127 176.519 -0.512 0.000 1.241 370 W CA 0.532 57.645 57.345 -0.387 0.000 1.232 370 W CB -0.745 28.242 29.460 -0.788 0.000 1.124 370 W HN 0.131 nan 8.180 nan 0.000 0.597 371 Y N -0.598 119.861 120.300 0.265 0.000 2.612 371 Y HA 0.080 5.014 4.550 0.641 0.000 0.250 371 Y C 2.113 178.068 175.900 0.092 0.000 1.175 371 Y CA 0.365 58.566 58.100 0.168 0.000 1.205 371 Y CB -0.496 38.037 38.460 0.122 0.000 1.201 371 Y HN -0.107 nan 8.280 nan 0.000 0.532 372 S N -0.679 115.123 115.700 0.171 0.000 2.503 372 S HA 0.346 5.199 4.470 0.638 0.000 0.215 372 S C 1.177 175.828 174.600 0.085 0.000 1.003 372 S CA 0.027 58.289 58.200 0.104 0.000 0.910 372 S CB -0.147 63.099 63.200 0.075 0.000 0.790 372 S HN 0.169 nan 8.310 nan 0.000 0.514 373 A N 2.274 125.150 122.820 0.094 0.000 2.511 373 A HA 0.493 5.196 4.320 0.638 0.000 0.242 373 A C 1.354 178.995 177.584 0.095 0.000 1.069 373 A CA 0.199 52.288 52.037 0.086 0.000 0.763 373 A CB 0.163 19.207 19.000 0.074 0.000 1.001 373 A HN 0.670 nan 8.150 nan 0.000 0.498 374 S N 2.037 117.808 115.700 0.119 0.000 2.501 374 S HA 0.364 5.217 4.470 0.638 0.000 0.220 374 S C 1.382 176.061 174.600 0.131 0.000 0.997 374 S CA 0.950 59.252 58.200 0.169 0.000 0.919 374 S CB -0.044 63.318 63.200 0.270 0.000 0.778 374 S HN 2.549 nan 8.310 nan 0.000 0.523 375 G N 0.066 108.903 108.800 0.062 0.000 2.176 375 G HA2 -0.267 4.076 3.960 0.638 0.000 0.232 375 G HA3 -0.267 4.076 3.960 0.638 0.000 0.232 375 G C 0.296 175.091 174.900 -0.174 0.000 0.986 375 G CA 0.332 45.386 45.100 -0.078 0.000 0.643 375 G HN 0.580 nan 8.290 nan 0.000 0.522 376 Y N 0.833 121.179 120.300 0.076 0.000 2.449 376 Y HA 0.417 5.357 4.550 0.650 0.000 0.254 376 Y C 1.312 177.244 175.900 0.052 0.000 1.140 376 Y CA 0.045 58.195 58.100 0.083 0.000 1.272 376 Y CB 0.452 38.984 38.460 0.121 0.000 1.114 376 Y HN 0.257 nan 8.280 nan 0.000 0.525 377 E N 0.866 121.161 120.200 0.158 0.000 2.452 377 E HA 0.200 4.933 4.350 0.638 0.000 0.261 377 E C 0.340 176.976 176.600 0.060 0.000 0.987 377 E CA 0.619 57.079 56.400 0.101 0.000 0.926 377 E CB 0.596 30.343 29.700 0.078 0.000 0.934 377 E HN 0.043 nan 8.360 nan 0.000 0.452 378 T N 0.591 115.172 114.554 0.045 0.000 2.733 378 T HA 0.471 5.204 4.350 0.638 0.000 0.312 378 T C -0.987 173.722 174.700 0.015 0.000 1.590 378 T CA -0.268 61.841 62.100 0.014 0.000 1.005 378 T CB 0.735 69.588 68.868 -0.026 0.000 1.528 378 T HN 0.524 nan 8.240 nan 0.000 0.496 379 T N 0.160 114.720 114.554 0.011 0.000 2.922 379 T HA 0.451 5.184 4.350 0.638 0.000 0.281 379 T C 1.212 175.913 174.700 0.003 0.000 1.005 379 T CA -0.564 61.545 62.100 0.014 0.000 0.982 379 T CB 1.124 70.008 68.868 0.028 0.000 1.158 379 T HN 0.676 nan 8.240 nan 0.000 0.566 380 Q N -0.147 119.656 119.800 0.005 0.000 2.297 380 Q HA -0.112 4.611 4.340 0.638 0.000 0.208 380 Q C 1.119 177.129 176.000 0.017 0.000 0.981 380 Q CA 1.325 57.128 55.803 0.000 0.000 0.876 380 Q CB -0.184 28.552 28.738 -0.004 0.000 0.921 380 Q HN 0.598 nan 8.270 nan 0.000 0.446 381 D N -0.279 120.138 120.400 0.029 0.000 2.363 381 D HA 0.096 5.119 4.640 0.638 0.000 0.220 381 D C 0.715 177.031 176.300 0.027 0.000 0.994 381 D CA 0.998 55.028 54.000 0.050 0.000 0.890 381 D CB 0.150 40.986 40.800 0.059 0.000 0.906 381 D HN 0.318 nan 8.370 nan 0.000 0.530 382 G N 0.722 109.518 108.800 -0.007 0.000 2.756 382 G HA2 -0.190 4.153 3.960 0.638 0.000 0.678 382 G HA3 -0.190 4.153 3.960 0.638 0.000 0.678 382 G C -2.619 172.246 174.900 -0.059 0.000 1.349 382 G CA -1.146 43.914 45.100 -0.066 0.000 0.847 382 G HN -0.050 nan 8.290 nan 0.000 0.548 383 P HA 0.152 nan 4.420 nan 0.000 0.265 383 P C 1.326 178.733 177.300 0.179 0.000 1.187 383 P CA 0.951 64.027 63.100 -0.039 0.000 0.766 383 P CB 0.446 32.009 31.700 -0.228 0.000 0.820 384 T N -0.499 114.174 114.554 0.198 0.000 3.081 384 T HA 0.281 5.014 4.350 0.638 0.000 0.255 384 T C 0.913 175.799 174.700 0.309 0.000 1.113 384 T CA 0.664 62.910 62.100 0.244 0.000 1.082 384 T CB -0.223 68.754 68.868 0.182 0.000 0.939 384 T HN 0.487 nan 8.240 nan 0.000 0.506 385 G N 1.131 110.141 108.800 0.351 0.000 2.976 385 G HA2 0.520 4.863 3.960 0.638 0.000 0.276 385 G HA3 0.520 4.863 3.960 0.638 0.000 0.276 385 G C -0.569 174.599 174.900 0.446 0.000 1.207 385 G CA -0.183 45.082 45.100 0.274 0.000 0.803 385 G HN 0.481 nan 8.290 nan 0.000 0.572 386 S N -0.905 114.972 115.700 0.296 0.000 2.608 386 S HA 0.594 5.447 4.470 0.638 0.000 0.261 386 S C -0.344 174.418 174.600 0.269 0.000 1.314 386 S CA -0.234 58.185 58.200 0.366 0.000 0.992 386 S CB 1.032 64.400 63.200 0.279 0.000 0.935 386 S HN 0.432 nan 8.310 nan 0.000 0.564 387 L N 2.489 123.864 121.223 0.253 0.000 2.322 387 L HA 0.649 5.372 4.340 0.638 0.000 0.279 387 L C 0.102 176.912 176.870 -0.100 0.000 1.036 387 L CA -0.020 54.860 54.840 0.067 0.000 0.807 387 L CB 1.316 43.436 42.059 0.102 0.000 1.226 387 L HN 0.913 nan 8.230 nan 0.000 0.433 388 N N 1.717 120.317 118.700 -0.167 0.000 2.647 388 N HA 0.486 5.609 4.740 0.638 0.000 0.266 388 N C -1.098 174.277 175.510 -0.224 0.000 1.373 388 N CA -0.577 52.317 53.050 -0.259 0.000 0.807 388 N CB 1.623 39.967 38.487 -0.239 0.000 1.513 388 N HN 0.367 nan 8.380 nan 0.000 0.505 389 I N 1.307 121.742 120.570 -0.225 0.000 2.471 389 I HA 0.108 4.661 4.170 0.638 0.000 0.286 389 I C 1.080 177.140 176.117 -0.096 0.000 1.079 389 I CA -0.188 61.030 61.300 -0.136 0.000 1.398 389 I CB 0.721 38.637 38.000 -0.140 0.000 1.403 389 I HN 0.492 nan 8.210 nan 0.000 0.530 390 S N 5.006 120.690 115.700 -0.025 0.000 2.589 390 S HA 0.078 4.931 4.470 0.638 0.000 0.265 390 S C 1.079 175.705 174.600 0.043 0.000 1.342 390 S CA -0.676 57.527 58.200 0.005 0.000 1.005 390 S CB 1.534 64.764 63.200 0.049 0.000 0.909 390 S HN 0.523 nan 8.310 nan 0.000 0.555 391 V N 2.647 122.597 119.914 0.060 0.000 2.407 391 V HA 0.009 4.512 4.120 0.638 0.000 0.248 391 V C 2.294 178.531 176.094 0.240 0.000 1.055 391 V CA 2.633 65.009 62.300 0.126 0.000 1.049 391 V CB -1.440 30.470 31.823 0.145 0.000 0.662 391 V HN 1.079 nan 8.190 nan 0.000 0.455 392 G N -0.965 107.997 108.800 0.270 0.000 2.402 392 G HA2 -0.189 4.154 3.960 0.638 0.000 0.216 392 G HA3 -0.189 4.154 3.960 0.638 0.000 0.216 392 G C 1.772 176.789 174.900 0.194 0.000 1.162 392 G CA 0.956 46.218 45.100 0.270 0.000 0.777 392 G HN 0.723 nan 8.290 nan 0.000 0.539 393 A N 0.911 123.853 122.820 0.202 0.000 1.902 393 A HA -0.015 4.688 4.320 0.638 0.000 0.217 393 A C 2.300 180.108 177.584 0.375 0.000 1.181 393 A CA 1.959 54.191 52.037 0.324 0.000 0.623 393 A CB -0.357 18.851 19.000 0.346 0.000 0.818 393 A HN 0.378 nan 8.150 nan 0.000 0.443 394 K N -0.470 120.060 120.400 0.216 0.000 2.063 394 K HA -0.087 4.616 4.320 0.638 0.000 0.208 394 K C 1.796 178.531 176.600 0.224 0.000 1.048 394 K CA 1.615 58.005 56.287 0.171 0.000 0.928 394 K CB -0.381 32.162 32.500 0.071 0.000 0.713 394 K HN 0.564 nan 8.250 nan 0.000 0.442 395 I N 0.765 121.448 120.570 0.188 0.000 2.252 395 I HA -0.250 4.303 4.170 0.638 0.000 0.245 395 I C 2.311 178.523 176.117 0.158 0.000 1.102 395 I CA 0.520 61.902 61.300 0.137 0.000 1.385 395 I CB -0.239 37.797 38.000 0.059 0.000 1.064 395 I HN 0.093 nan 8.210 nan 0.000 0.414 396 L N 0.515 121.853 121.223 0.193 0.000 2.043 396 L HA -0.294 4.429 4.340 0.638 0.000 0.212 396 L C 2.504 179.609 176.870 0.392 0.000 1.075 396 L CA 1.991 56.964 54.840 0.222 0.000 0.752 396 L CB -1.055 41.122 42.059 0.197 0.000 0.891 396 L HN 0.259 nan 8.230 nan 0.000 0.432 397 Y N 0.289 120.799 120.300 0.350 0.000 2.224 397 Y HA -0.221 4.714 4.550 0.643 0.000 0.289 397 Y C 2.384 178.374 175.900 0.150 0.000 1.146 397 Y CA 1.968 60.208 58.100 0.235 0.000 1.182 397 Y CB -0.010 38.456 38.460 0.011 0.000 0.983 397 Y HN 0.316 nan 8.280 nan 0.000 0.524 398 E N 0.227 120.523 120.200 0.159 0.000 2.072 398 E HA -0.187 4.546 4.350 0.638 0.000 0.191 398 E C 2.441 179.055 176.600 0.023 0.000 0.985 398 E CA 1.059 57.488 56.400 0.049 0.000 0.801 398 E CB -0.723 29.037 29.700 0.099 0.000 0.750 398 E HN 0.575 nan 8.360 nan 0.000 0.452 399 A N 1.491 124.374 122.820 0.105 0.000 1.908 399 A HA -0.159 4.544 4.320 0.638 0.000 0.218 399 A C 2.499 180.204 177.584 0.201 0.000 1.181 399 A CA 2.062 54.208 52.037 0.181 0.000 0.627 399 A CB -0.800 18.346 19.000 0.243 0.000 0.818 399 A HN 0.221 nan 8.150 nan 0.000 0.445 400 V N -3.216 116.811 119.914 0.188 0.000 3.217 400 V HA -0.069 4.434 4.120 0.638 0.000 0.264 400 V C 1.663 177.723 176.094 -0.055 0.000 1.135 400 V CA 1.573 63.944 62.300 0.119 0.000 1.142 400 V CB -0.615 31.357 31.823 0.250 0.000 0.754 400 V HN 0.442 nan 8.190 nan 0.000 0.484 401 Q N 1.081 120.786 119.800 -0.159 0.000 2.435 401 Q HA 0.207 4.930 4.340 0.638 0.000 0.207 401 Q C 1.763 177.711 176.000 -0.086 0.000 0.956 401 Q CA 0.901 56.585 55.803 -0.198 0.000 0.917 401 Q CB -0.047 28.525 28.738 -0.277 0.000 0.997 401 Q HN 0.892 nan 8.270 nan 0.000 0.497 402 G N 1.950 110.725 108.800 -0.041 0.000 2.634 402 G HA2 -0.369 3.974 3.960 0.638 0.000 0.309 402 G HA3 -0.369 3.974 3.960 0.638 0.000 0.309 402 G C 0.493 175.384 174.900 -0.014 0.000 1.265 402 G CA 0.502 45.590 45.100 -0.020 0.000 0.998 402 G HN 0.343 nan 8.290 nan 0.000 0.551 403 D N 0.934 121.326 120.400 -0.014 0.000 2.350 403 D HA 0.022 5.045 4.640 0.638 0.000 0.216 403 D C 2.327 178.622 176.300 -0.008 0.000 0.968 403 D CA 1.067 55.063 54.000 -0.007 0.000 0.894 403 D CB -0.080 40.716 40.800 -0.006 0.000 0.909 403 D HN 0.591 nan 8.370 nan 0.000 0.520 404 K N 0.158 120.546 120.400 -0.019 0.000 2.432 404 K HA 0.023 4.725 4.320 0.638 0.000 0.196 404 K C 0.929 177.525 176.600 -0.008 0.000 1.038 404 K CA 0.030 56.307 56.287 -0.016 0.000 0.986 404 K CB 0.264 32.748 32.500 -0.027 0.000 0.782 404 K HN -0.119 nan 8.250 nan 0.000 0.485 405 S N 1.822 117.516 115.700 -0.010 0.000 2.523 405 S HA 0.150 5.003 4.470 0.638 0.000 0.275 405 S C -1.546 173.068 174.600 0.024 0.000 1.281 405 S CA -1.620 56.586 58.200 0.010 0.000 1.050 405 S CB 0.854 64.059 63.200 0.008 0.000 0.937 405 S HN 0.029 nan 8.310 nan 0.000 0.492 406 P HA 0.148 nan 4.420 nan 0.000 0.241 406 P C -0.174 177.149 177.300 0.038 0.000 1.191 406 P CA 0.112 63.234 63.100 0.036 0.000 0.771 406 P CB 0.007 31.733 31.700 0.043 0.000 0.929 407 I N 2.869 123.465 120.570 0.042 0.000 2.322 407 I HA 0.242 4.795 4.170 0.638 0.000 0.292 407 I C -2.289 173.847 176.117 0.032 0.000 1.060 407 I CA -3.475 57.850 61.300 0.041 0.000 1.309 407 I CB 0.060 38.090 38.000 0.051 0.000 1.415 407 I HN -0.186 nan 8.210 nan 0.000 0.492 408 P HA 0.043 nan 4.420 nan 0.000 0.263 408 P C -0.339 176.972 177.300 0.019 0.000 1.195 408 P CA -0.181 62.931 63.100 0.021 0.000 0.762 408 P CB 0.312 32.022 31.700 0.017 0.000 0.799 409 Q N 2.885 122.698 119.800 0.021 0.000 2.837 409 Q HA 0.164 4.887 4.340 0.638 0.000 0.235 409 Q C 1.466 177.473 176.000 0.012 0.000 1.348 409 Q CA -0.163 55.652 55.803 0.020 0.000 0.990 409 Q CB 0.051 28.811 28.738 0.037 0.000 1.570 409 Q HN 0.493 nan 8.270 nan 0.000 0.575 410 A N 2.019 124.841 122.820 0.003 0.000 1.896 410 A HA -0.155 4.548 4.320 0.638 0.000 0.220 410 A C 1.150 178.730 177.584 -0.006 0.000 1.206 410 A CA 1.991 54.026 52.037 -0.003 0.000 0.647 410 A CB -0.289 18.704 19.000 -0.011 0.000 0.828 410 A HN 0.462 nan 8.150 nan 0.000 0.455 411 V N -2.719 117.187 119.914 -0.013 0.000 2.667 411 V HA 0.599 5.102 4.120 0.638 0.000 0.308 411 V C -0.753 175.340 176.094 -0.003 0.000 1.048 411 V CA -0.991 61.300 62.300 -0.014 0.000 0.928 411 V CB 1.700 33.502 31.823 -0.034 0.000 1.004 411 V HN 0.243 nan 8.190 nan 0.000 0.444 412 D N 2.785 123.194 120.400 0.015 0.000 2.352 412 D HA 0.272 5.295 4.640 0.638 0.000 0.245 412 D C 1.091 177.404 176.300 0.021 0.000 1.224 412 D CA -0.017 54.015 54.000 0.053 0.000 0.879 412 D CB 0.855 41.702 40.800 0.078 0.000 1.057 412 D HN 0.620 nan 8.370 nan 0.000 0.491 413 L N 2.865 124.069 121.223 -0.031 0.000 2.261 413 L HA -0.168 4.555 4.340 0.638 0.000 0.216 413 L C 1.382 178.066 176.870 -0.310 0.000 1.114 413 L CA 0.793 55.510 54.840 -0.205 0.000 0.777 413 L CB -0.350 41.515 42.059 -0.323 0.000 0.910 413 L HN 0.442 nan 8.230 nan 0.000 0.440 414 F N -0.305 119.637 119.950 -0.014 0.000 2.776 414 F HA 0.287 5.197 4.527 0.639 0.000 0.300 414 F C 1.589 177.382 175.800 -0.010 0.000 1.116 414 F CA 0.271 58.265 58.000 -0.010 0.000 1.375 414 F CB -0.230 38.770 39.000 0.001 0.000 1.109 414 F HN 0.037 nan 8.300 nan 0.000 0.585 415 A N 0.543 123.429 122.820 0.110 0.000 2.610 415 A HA 0.035 4.738 4.320 0.638 0.000 0.299 415 A C 1.747 179.373 177.584 0.070 0.000 1.487 415 A CA 0.983 53.057 52.037 0.060 0.000 0.743 415 A CB -1.879 17.134 19.000 0.023 0.000 1.070 415 A HN 1.390 nan 8.150 nan 0.000 0.439 416 G N -1.436 107.413 108.800 0.081 0.000 2.304 416 G HA2 -0.321 4.022 3.960 0.638 0.000 0.252 416 G HA3 -0.321 4.022 3.960 0.638 0.000 0.252 416 G C 0.331 175.264 174.900 0.056 0.000 1.014 416 G CA 1.009 46.142 45.100 0.055 0.000 0.619 416 G HN 1.189 nan 8.290 nan 0.000 0.525 417 K N 1.711 122.161 120.400 0.084 0.000 2.295 417 K HA 0.413 5.115 4.320 0.638 0.000 0.270 417 K C -2.342 174.278 176.600 0.034 0.000 1.011 417 K CA -1.424 54.906 56.287 0.070 0.000 0.953 417 K CB 0.641 33.202 32.500 0.102 0.000 0.956 417 K HN 0.099 nan 8.250 nan 0.000 0.477 418 P HA 0.003 nan 4.420 nan 0.000 0.268 418 P C 0.184 177.391 177.300 -0.156 0.000 1.205 418 P CA 0.013 63.067 63.100 -0.076 0.000 0.771 418 P CB 0.605 32.279 31.700 -0.045 0.000 0.858 419 Q N 1.345 120.933 119.800 -0.353 0.000 2.096 419 Q HA -0.276 4.447 4.340 0.638 0.000 0.204 419 Q C 2.029 177.904 176.000 -0.208 0.000 0.982 419 Q CA 1.597 57.026 55.803 -0.623 0.000 0.850 419 Q CB -0.160 28.105 28.738 -0.790 0.000 0.901 419 Q HN 0.597 nan 8.270 nan 0.000 0.422 420 Q N 0.998 120.732 119.800 -0.110 0.000 2.096 420 Q HA -0.267 4.456 4.340 0.638 0.000 0.204 420 Q C 1.975 177.995 176.000 0.034 0.000 0.982 420 Q CA 1.764 57.559 55.803 -0.013 0.000 0.850 420 Q CB -0.072 28.655 28.738 -0.017 0.000 0.901 420 Q HN 0.396 nan 8.270 nan 0.000 0.422 421 E N -0.564 119.649 120.200 0.021 0.000 2.077 421 E HA -0.175 4.558 4.350 0.638 0.000 0.193 421 E C 1.922 178.577 176.600 0.091 0.000 0.989 421 E CA 1.532 57.962 56.400 0.051 0.000 0.800 421 E CB 0.086 29.809 29.700 0.038 0.000 0.746 421 E HN 0.336 nan 8.360 nan 0.000 0.452 422 V N 0.638 120.625 119.914 0.122 0.000 2.427 422 V HA -0.189 4.314 4.120 0.638 0.000 0.248 422 V C 2.427 178.639 176.094 0.197 0.000 1.051 422 V CA 1.157 63.565 62.300 0.180 0.000 1.048 422 V CB -0.036 31.991 31.823 0.341 0.000 0.666 422 V HN 0.195 nan 8.190 nan 0.000 0.456 423 V N -0.169 119.891 119.914 0.243 0.000 2.358 423 V HA -0.218 4.284 4.120 0.638 0.000 0.246 423 V C 2.275 178.584 176.094 0.358 0.000 1.047 423 V CA 1.791 64.321 62.300 0.384 0.000 1.035 423 V CB -0.431 31.611 31.823 0.366 0.000 0.658 423 V HN 0.434 nan 8.190 nan 0.000 0.452 424 L N 0.031 121.380 121.223 0.209 0.000 2.027 424 L HA -0.124 4.599 4.340 0.638 0.000 0.206 424 L C 2.779 179.748 176.870 0.165 0.000 1.074 424 L CA 1.567 56.504 54.840 0.163 0.000 0.745 424 L CB -0.880 41.237 42.059 0.097 0.000 0.898 424 L HN 0.349 nan 8.230 nan 0.000 0.433 425 A N 0.147 123.048 122.820 0.135 0.000 1.948 425 A HA -0.225 4.478 4.320 0.638 0.000 0.220 425 A C 2.478 180.135 177.584 0.123 0.000 1.177 425 A CA 1.951 54.054 52.037 0.110 0.000 0.636 425 A CB -0.672 18.376 19.000 0.079 0.000 0.815 425 A HN 0.438 nan 8.150 nan 0.000 0.449 426 A N -0.684 122.218 122.820 0.135 0.000 1.968 426 A HA 0.103 4.806 4.320 0.638 0.000 0.217 426 A C 2.110 179.896 177.584 0.337 0.000 1.169 426 A CA 1.204 53.301 52.037 0.100 0.000 0.638 426 A CB -0.456 18.417 19.000 -0.212 0.000 0.812 426 A HN 0.462 nan 8.150 nan 0.000 0.446 427 L N -0.806 120.681 121.223 0.439 0.000 2.141 427 L HA -0.169 4.554 4.340 0.638 0.000 0.209 427 L C 2.601 179.646 176.870 0.293 0.000 1.094 427 L CA 1.613 56.684 54.840 0.384 0.000 0.763 427 L CB -0.325 41.877 42.059 0.240 0.000 0.908 427 L HN 0.587 nan 8.230 nan 0.000 0.437 428 E N 0.228 120.568 120.200 0.232 0.000 2.047 428 E HA -0.241 4.492 4.350 0.638 0.000 0.191 428 E C 1.606 178.342 176.600 0.228 0.000 0.987 428 E CA 1.430 57.963 56.400 0.222 0.000 0.799 428 E CB 0.154 29.947 29.700 0.156 0.000 0.752 428 E HN 0.413 nan 8.360 nan 0.000 0.449 429 D N -0.080 120.425 120.400 0.174 0.000 2.123 429 D HA -0.146 4.877 4.640 0.638 0.000 0.196 429 D C 1.958 178.353 176.300 0.157 0.000 0.992 429 D CA 1.712 55.790 54.000 0.130 0.000 0.833 429 D CB -0.587 40.262 40.800 0.081 0.000 0.954 429 D HN 0.205 nan 8.370 nan 0.000 0.455 430 T N 0.294 114.985 114.554 0.228 0.000 2.708 430 T HA -0.172 4.561 4.350 0.638 0.000 0.266 430 T C 1.652 176.523 174.700 0.285 0.000 1.037 430 T CA 0.933 63.184 62.100 0.251 0.000 1.146 430 T CB -0.353 68.715 68.868 0.333 0.000 0.865 430 T HN 0.395 nan 8.240 nan 0.000 0.435 431 W N 1.971 123.365 121.300 0.157 0.000 2.381 431 W HA -0.104 4.938 4.660 0.637 0.000 0.301 431 W C 1.959 178.560 176.519 0.136 0.000 1.205 431 W CA 0.912 58.362 57.345 0.175 0.000 1.285 431 W CB -0.052 29.495 29.460 0.145 0.000 1.133 431 W HN 0.210 nan 8.180 nan 0.000 0.521 432 E N 0.144 120.387 120.200 0.072 0.000 2.031 432 E HA -0.174 4.559 4.350 0.638 0.000 0.193 432 E C 2.048 178.558 176.600 -0.151 0.000 0.994 432 E CA 2.204 58.558 56.400 -0.077 0.000 0.800 432 E CB -0.905 28.816 29.700 0.036 0.000 0.752 432 E HN 0.169 nan 8.360 nan 0.000 0.447 433 T N 2.226 116.738 114.554 -0.070 0.000 2.607 433 T HA -0.150 4.583 4.350 0.638 0.000 0.267 433 T C 2.161 176.749 174.700 -0.188 0.000 1.049 433 T CA 1.297 63.337 62.100 -0.100 0.000 1.162 433 T CB -0.394 68.452 68.868 -0.037 0.000 0.863 433 T HN 0.083 nan 8.240 nan 0.000 0.424 434 L N 1.295 122.417 121.223 -0.169 0.000 2.056 434 L HA -0.092 4.631 4.340 0.638 0.000 0.207 434 L C 2.962 179.515 176.870 -0.528 0.000 1.078 434 L CA 1.490 56.146 54.840 -0.306 0.000 0.749 434 L CB -0.752 41.166 42.059 -0.235 0.000 0.901 434 L HN 0.401 nan 8.230 nan 0.000 0.433 435 S N -0.320 115.041 115.700 -0.565 0.000 2.402 435 S HA -0.245 4.608 4.470 0.638 0.000 0.229 435 S C 2.026 176.387 174.600 -0.399 0.000 1.021 435 S CA 1.137 58.969 58.200 -0.614 0.000 0.974 435 S CB -0.297 62.123 63.200 -1.299 0.000 0.800 435 S HN 0.343 nan 8.310 nan 0.000 0.484 436 K N 1.180 121.365 120.400 -0.358 0.000 2.097 436 K HA -0.048 4.655 4.320 0.638 0.000 0.205 436 K C 2.588 179.011 176.600 -0.294 0.000 1.050 436 K CA 1.054 57.186 56.287 -0.259 0.000 0.938 436 K CB -0.157 32.221 32.500 -0.203 0.000 0.718 436 K HN 0.457 nan 8.250 nan 0.000 0.442 437 R N -0.927 119.327 120.500 -0.410 0.000 2.075 437 R HA -0.086 4.636 4.340 0.638 0.000 0.226 437 R C 1.082 176.958 176.300 -0.707 0.000 1.114 437 R CA 1.360 57.100 56.100 -0.600 0.000 0.972 437 R CB 0.066 29.874 30.300 -0.820 0.000 0.869 437 R HN 0.203 nan 8.270 nan 0.000 0.437 438 Y N -0.834 119.159 120.300 -0.511 0.000 2.481 438 Y HA 0.389 5.321 4.550 0.637 0.000 0.247 438 Y C 0.735 176.498 175.900 -0.228 0.000 1.151 438 Y CA 0.318 58.105 58.100 -0.522 0.000 1.238 438 Y CB 1.387 39.144 38.460 -1.171 0.000 1.179 438 Y HN 0.351 nan 8.280 nan 0.000 0.524 439 G N 0.797 109.570 108.800 -0.045 0.000 2.655 439 G HA2 -0.274 4.069 3.960 0.638 0.000 0.680 439 G HA3 -0.274 4.069 3.960 0.638 0.000 0.680 439 G C -0.155 174.900 174.900 0.258 0.000 1.302 439 G CA -0.311 44.845 45.100 0.093 0.000 0.872 439 G HN 0.218 nan 8.290 nan 0.000 0.540 440 N N 0.357 119.201 118.700 0.239 0.000 2.336 440 N HA 0.107 5.230 4.740 0.638 0.000 0.189 440 N C 0.579 176.305 175.510 0.361 0.000 1.113 440 N CA 0.415 53.662 53.050 0.329 0.000 0.858 440 N CB 0.285 38.950 38.487 0.297 0.000 0.970 440 N HN 0.512 nan 8.380 nan 0.000 0.471 441 N N 0.634 119.513 118.700 0.297 0.000 2.817 441 N HA 0.101 5.224 4.740 0.638 0.000 0.234 441 N C 0.747 176.177 175.510 -0.132 0.000 1.066 441 N CA -0.173 52.941 53.050 0.107 0.000 0.926 441 N CB 0.464 39.012 38.487 0.101 0.000 1.176 441 N HN -0.237 nan 8.380 nan 0.000 0.506 442 V N 2.023 121.622 119.914 -0.524 0.000 2.380 442 V HA -0.285 4.218 4.120 0.638 0.000 0.251 442 V C 2.250 177.870 176.094 -0.790 0.000 1.063 442 V CA 2.389 63.843 62.300 -1.411 0.000 1.055 442 V CB -0.855 30.353 31.823 -1.024 0.000 0.657 442 V HN 0.821 nan 8.190 nan 0.000 0.455 443 S N 1.957 117.440 115.700 -0.363 0.000 2.500 443 S HA -0.159 4.694 4.470 0.638 0.000 0.239 443 S C 1.291 175.840 174.600 -0.085 0.000 0.989 443 S CA 1.346 59.432 58.200 -0.191 0.000 0.951 443 S CB -0.658 62.471 63.200 -0.119 0.000 0.759 443 S HN 0.852 nan 8.310 nan 0.000 0.523 444 N N -0.794 117.893 118.700 -0.022 0.000 2.235 444 N HA 0.128 5.251 4.740 0.638 0.000 0.231 444 N C -1.036 174.607 175.510 0.221 0.000 1.177 444 N CA -0.832 52.272 53.050 0.091 0.000 0.874 444 N CB -0.566 37.980 38.487 0.098 0.000 1.097 444 N HN 0.307 nan 8.380 nan 0.000 0.518 445 W N 1.718 122.970 121.300 -0.080 0.000 2.368 445 W HA 0.335 5.378 4.660 0.637 0.000 0.316 445 W C 0.148 176.538 176.519 -0.215 0.000 1.375 445 W CA -0.813 56.411 57.345 -0.201 0.000 1.261 445 W CB 0.358 29.621 29.460 -0.329 0.000 1.298 445 W HN -0.046 nan 8.180 nan 0.000 0.539 446 K N 2.938 123.333 120.400 -0.009 0.000 2.484 446 K HA 0.232 4.935 4.320 0.638 0.000 0.226 446 K C 0.283 176.848 176.600 -0.058 0.000 1.031 446 K CA -0.338 55.950 56.287 0.002 0.000 1.026 446 K CB 0.736 33.271 32.500 0.059 0.000 1.412 446 K HN 0.319 nan 8.250 nan 0.000 0.492 447 T N -0.436 114.040 114.554 -0.130 0.000 2.899 447 T HA 0.366 5.099 4.350 0.638 0.000 0.284 447 T C -2.484 172.203 174.700 -0.021 0.000 1.004 447 T CA -2.304 59.733 62.100 -0.104 0.000 1.043 447 T CB 0.967 69.759 68.868 -0.127 0.000 1.013 447 T HN 0.072 nan 8.240 nan 0.000 0.518 448 P HA 0.407 nan 4.420 nan 0.000 0.271 448 P C -0.762 176.246 177.300 -0.487 0.000 1.220 448 P CA -0.352 62.647 63.100 -0.169 0.000 0.768 448 P CB 0.283 31.925 31.700 -0.096 0.000 0.848 449 A N 4.187 126.552 122.820 -0.759 0.000 2.302 449 A HA 0.557 5.260 4.320 0.638 0.000 0.285 449 A C 0.199 177.275 177.584 -0.847 0.000 1.105 449 A CA -0.653 50.430 52.037 -1.590 0.000 0.816 449 A CB 0.131 18.338 19.000 -1.321 0.000 1.067 449 A HN 0.485 nan 8.150 nan 0.000 0.489 450 M N 1.245 120.398 119.600 -0.744 0.000 2.233 450 M HA 0.435 5.298 4.480 0.638 0.000 0.350 450 M C 0.491 176.751 176.300 -0.067 0.000 1.176 450 M CA 0.237 55.409 55.300 -0.213 0.000 1.150 450 M CB 1.198 33.772 32.600 -0.044 0.000 1.530 450 M HN 0.841 nan 8.290 nan 0.000 0.459 451 A N 3.161 125.961 122.820 -0.034 0.000 2.312 451 A HA 0.934 5.637 4.320 0.638 0.000 0.310 451 A C -1.496 176.069 177.584 -0.031 0.000 1.139 451 A CA -0.778 51.255 52.037 -0.008 0.000 0.886 451 A CB 1.216 20.274 19.000 0.097 0.000 1.350 451 A HN 0.830 nan 8.150 nan 0.000 0.479 452 L N -0.487 120.621 121.223 -0.193 0.000 2.381 452 L HA 0.720 5.443 4.340 0.638 0.000 0.268 452 L C -0.998 175.691 176.870 -0.302 0.000 0.997 452 L CA -0.063 54.579 54.840 -0.330 0.000 0.818 452 L CB 2.496 44.206 42.059 -0.582 0.000 1.310 452 L HN 0.695 nan 8.230 nan 0.000 0.416 453 T N 3.794 118.196 114.554 -0.254 0.000 2.841 453 T HA 0.480 5.213 4.350 0.638 0.000 0.285 453 T C -0.868 173.764 174.700 -0.112 0.000 0.991 453 T CA -0.108 61.959 62.100 -0.055 0.000 0.966 453 T CB 0.772 69.677 68.868 0.061 0.000 0.962 453 T HN 0.223 nan 8.240 nan 0.000 0.438 454 F N 3.174 123.116 119.950 -0.014 0.000 2.368 454 F HA 0.395 5.310 4.527 0.646 0.000 0.362 454 F C 1.231 177.064 175.800 0.054 0.000 1.137 454 F CA -0.864 57.150 58.000 0.023 0.000 1.161 454 F CB 0.355 39.358 39.000 0.005 0.000 1.265 454 F HN 0.215 nan 8.300 nan 0.000 0.530 455 R N 1.471 122.065 120.500 0.157 0.000 2.539 455 R HA 0.411 5.134 4.340 0.638 0.000 0.275 455 R C 1.037 177.514 176.300 0.296 0.000 1.077 455 R CA 0.042 56.267 56.100 0.208 0.000 1.097 455 R CB 0.812 31.228 30.300 0.193 0.000 1.018 455 R HN 0.765 nan 8.270 nan 0.000 0.483 456 A N 2.640 125.600 122.820 0.234 0.000 2.072 456 A HA -0.001 4.702 4.320 0.638 0.000 0.216 456 A C 0.257 177.971 177.584 0.217 0.000 1.156 456 A CA 0.574 52.737 52.037 0.209 0.000 0.701 456 A CB -0.077 19.015 19.000 0.154 0.000 0.816 456 A HN 0.579 nan 8.150 nan 0.000 0.458 457 N N 1.564 120.409 118.700 0.242 0.000 2.499 457 N HA 0.251 5.374 4.740 0.638 0.000 0.281 457 N C -0.060 175.628 175.510 0.298 0.000 1.098 457 N CA -0.355 52.829 53.050 0.223 0.000 0.979 457 N CB 0.748 39.352 38.487 0.194 0.000 1.121 457 N HN 0.605 nan 8.380 nan 0.000 0.466 458 N N 0.714 119.520 118.700 0.176 0.000 2.290 458 N HA -0.000 5.123 4.740 0.638 0.000 0.269 458 N C 1.031 176.570 175.510 0.047 0.000 1.295 458 N CA -0.314 52.753 53.050 0.028 0.000 0.932 458 N CB -0.121 38.401 38.487 0.058 0.000 1.128 458 N HN 0.538 nan 8.380 nan 0.000 0.532 459 F N -2.329 117.536 119.950 -0.142 0.000 2.269 459 F HA 0.118 5.046 4.527 0.669 0.000 0.301 459 F C 1.413 177.225 175.800 0.019 0.000 1.082 459 F CA 0.496 58.484 58.000 -0.018 0.000 1.360 459 F CB -0.740 38.204 39.000 -0.092 0.000 1.041 459 F HN 0.269 nan 8.300 nan 0.000 0.512 460 F N 1.320 120.949 119.950 -0.535 0.000 2.502 460 F HA 0.246 5.168 4.527 0.658 0.000 0.298 460 F C 2.174 177.929 175.800 -0.075 0.000 1.111 460 F CA 0.990 58.782 58.000 -0.346 0.000 1.445 460 F CB -0.421 38.305 39.000 -0.457 0.000 1.081 460 F HN 0.266 nan 8.300 nan 0.000 0.558 461 G N 0.215 109.112 108.800 0.162 0.000 2.141 461 G HA2 -0.227 4.115 3.960 0.638 0.000 0.231 461 G HA3 -0.227 4.115 3.960 0.638 0.000 0.231 461 G C -0.171 174.799 174.900 0.117 0.000 0.984 461 G CA -0.059 45.133 45.100 0.153 0.000 0.660 461 G HN 0.124 nan 8.290 nan 0.000 0.525 462 V N 1.647 121.624 119.914 0.106 0.000 2.407 462 V HA 0.447 4.950 4.120 0.638 0.000 0.278 462 V C -1.660 174.481 176.094 0.078 0.000 1.037 462 V CA -1.773 60.562 62.300 0.058 0.000 0.900 462 V CB 1.606 33.423 31.823 -0.010 0.000 0.983 462 V HN 0.084 nan 8.190 nan 0.000 0.459 463 P HA 0.056 nan 4.420 nan 0.000 0.262 463 P C -0.009 177.336 177.300 0.075 0.000 1.182 463 P CA 0.232 63.381 63.100 0.081 0.000 0.761 463 P CB 0.192 31.930 31.700 0.063 0.000 0.795 464 Q N 2.504 122.363 119.800 0.097 0.000 2.139 464 Q HA 0.620 5.343 4.340 0.638 0.000 0.219 464 Q C -0.160 175.895 176.000 0.091 0.000 0.805 464 Q CA -0.543 55.314 55.803 0.090 0.000 1.024 464 Q CB 0.772 29.570 28.738 0.100 0.000 1.163 464 Q HN 0.329 nan 8.270 nan 0.000 0.485 465 A N 0.298 123.175 122.820 0.095 0.000 2.544 465 A HA 0.770 5.473 4.320 0.638 0.000 0.291 465 A C -1.442 176.195 177.584 0.088 0.000 1.055 465 A CA -0.508 51.587 52.037 0.097 0.000 0.651 465 A CB 0.285 19.357 19.000 0.120 0.000 1.296 465 A HN 0.369 nan 8.150 nan 0.000 0.431 466 A N 0.019 122.886 122.820 0.080 0.000 2.351 466 A HA 0.619 5.322 4.320 0.638 0.000 0.257 466 A C 1.514 179.146 177.584 0.080 0.000 1.087 466 A CA 0.565 52.642 52.037 0.066 0.000 0.798 466 A CB -0.073 18.954 19.000 0.045 0.000 1.033 466 A HN 2.406 nan 8.150 nan 0.000 0.488 467 A N 0.713 123.576 122.820 0.070 0.000 1.917 467 A HA -0.212 4.491 4.320 0.638 0.000 0.219 467 A C 1.808 179.440 177.584 0.079 0.000 1.182 467 A CA 1.962 54.044 52.037 0.076 0.000 0.633 467 A CB -0.751 18.286 19.000 0.061 0.000 0.819 467 A HN 0.988 nan 8.150 nan 0.000 0.448 468 E N 0.145 120.385 120.200 0.067 0.000 2.463 468 E HA -0.192 4.541 4.350 0.638 0.000 0.201 468 E C 1.024 177.679 176.600 0.092 0.000 1.045 468 E CA 1.204 57.643 56.400 0.065 0.000 0.872 468 E CB -0.350 29.378 29.700 0.045 0.000 0.797 468 E HN 0.783 nan 8.360 nan 0.000 0.538 469 E N 1.017 121.285 120.200 0.114 0.000 2.489 469 E HA 0.035 4.768 4.350 0.638 0.000 0.193 469 E C -0.090 176.590 176.600 0.134 0.000 1.057 469 E CA 0.061 56.554 56.400 0.155 0.000 0.866 469 E CB 0.290 30.102 29.700 0.188 0.000 0.916 469 E HN 0.123 nan 8.360 nan 0.000 0.500 470 T N 2.360 116.992 114.554 0.128 0.000 2.928 470 T HA 0.089 4.822 4.350 0.638 0.000 0.305 470 T C 0.277 175.065 174.700 0.146 0.000 1.035 470 T CA 0.093 62.281 62.100 0.147 0.000 1.145 470 T CB 0.500 69.451 68.868 0.138 0.000 0.963 470 T HN -0.049 nan 8.240 nan 0.000 0.545 471 R N 1.755 122.363 120.500 0.181 0.000 2.664 471 R HA 0.480 5.203 4.340 0.638 0.000 0.286 471 R C -0.608 175.865 176.300 0.289 0.000 0.967 471 R CA -0.845 55.352 56.100 0.161 0.000 0.933 471 R CB 1.194 31.471 30.300 -0.038 0.000 1.146 471 R HN 0.771 nan 8.270 nan 0.000 0.468 472 H N 0.091 119.242 119.070 0.135 0.000 2.622 472 H HA 0.382 5.322 4.556 0.639 0.000 0.363 472 H C -1.226 174.175 175.328 0.122 0.000 1.151 472 H CA -0.475 55.646 56.048 0.121 0.000 1.184 472 H CB 1.805 31.605 29.762 0.064 0.000 1.643 472 H HN 0.459 nan 8.280 nan 0.000 0.531 473 Q N 3.951 123.342 119.800 -0.681 0.000 2.274 473 Q HA 0.509 5.232 4.340 0.638 0.000 0.268 473 Q C -0.188 175.433 176.000 -0.633 0.000 1.015 473 Q CA -0.359 55.197 55.803 -0.412 0.000 0.775 473 Q CB 1.820 30.499 28.738 -0.098 0.000 1.256 473 Q HN 0.886 nan 8.270 nan 0.000 0.442 474 A N 3.796 126.443 122.820 -0.287 0.000 1.903 474 A HA -0.193 4.510 4.320 0.638 0.000 0.219 474 A C 0.771 178.316 177.584 -0.065 0.000 1.191 474 A CA 1.735 53.733 52.037 -0.065 0.000 0.638 474 A CB -0.216 18.812 19.000 0.047 0.000 0.823 474 A HN 0.766 nan 8.150 nan 0.000 0.451 475 E N -0.728 119.440 120.200 -0.053 0.000 2.081 475 E HA 0.346 5.079 4.350 0.638 0.000 0.281 475 E C -1.075 175.521 176.600 -0.007 0.000 0.986 475 E CA -0.856 55.559 56.400 0.025 0.000 0.796 475 E CB 0.301 30.043 29.700 0.071 0.000 1.085 475 E HN 0.396 nan 8.360 nan 0.000 0.398 476 Y N 3.920 124.190 120.300 -0.051 0.000 2.597 476 Y HA 0.008 4.933 4.550 0.626 0.000 0.336 476 Y C -0.593 175.322 175.900 0.026 0.000 1.216 476 Y CA 0.581 58.623 58.100 -0.097 0.000 1.463 476 Y CB 0.628 39.071 38.460 -0.029 0.000 1.303 476 Y HN 0.494 nan 8.280 nan 0.000 0.576 477 Q N 4.609 123.875 119.800 -0.889 0.000 2.274 477 Q HA 0.163 4.886 4.340 0.638 0.000 0.268 477 Q C -1.123 174.501 176.000 -0.627 0.000 1.015 477 Q CA -0.959 54.564 55.803 -0.466 0.000 0.775 477 Q CB 1.296 29.912 28.738 -0.203 0.000 1.256 477 Q HN 0.596 nan 8.270 nan 0.000 0.442 478 N N 3.858 122.435 118.700 -0.205 0.000 2.971 478 N HA 0.018 5.141 4.740 0.638 0.000 0.294 478 N C -1.049 174.594 175.510 0.221 0.000 1.210 478 N CA 0.205 53.348 53.050 0.155 0.000 1.157 478 N CB 0.030 38.766 38.487 0.416 0.000 1.450 478 N HN 0.593 nan 8.380 nan 0.000 0.527 479 R N -0.703 119.911 120.500 0.189 0.000 2.846 479 R HA 0.691 5.414 4.340 0.638 0.000 0.263 479 R C 0.063 176.441 176.300 0.130 0.000 1.080 479 R CA -1.104 55.062 56.100 0.111 0.000 0.961 479 R CB -0.062 30.273 30.300 0.058 0.000 1.231 479 R HN 0.065 nan 8.270 nan 0.000 0.465 480 G N -0.152 108.638 108.800 -0.016 0.000 2.491 480 G HA2 0.144 4.487 3.960 0.638 0.000 0.238 480 G HA3 0.144 4.487 3.960 0.638 0.000 0.238 480 G C 0.396 175.315 174.900 0.031 0.000 1.277 480 G CA -0.235 44.811 45.100 -0.091 0.000 0.851 480 G HN 0.590 nan 8.290 nan 0.000 0.573 481 T N 0.857 115.282 114.554 -0.215 0.000 2.759 481 T HA -0.055 4.678 4.350 0.638 0.000 0.269 481 T C 0.860 175.592 174.700 0.053 0.000 1.042 481 T CA 2.056 63.986 62.100 -0.284 0.000 1.140 481 T CB -0.140 68.530 68.868 -0.330 0.000 0.864 481 T HN 0.834 nan 8.240 nan 0.000 0.455 482 E N 0.355 120.573 120.200 0.031 0.000 2.369 482 E HA 0.581 5.314 4.350 0.638 0.000 0.270 482 E C -1.482 175.092 176.600 -0.044 0.000 0.909 482 E CA -1.044 55.397 56.400 0.069 0.000 0.775 482 E CB 0.882 30.575 29.700 -0.013 0.000 1.270 482 E HN 0.058 nan 8.360 nan 0.000 0.445 483 N N 0.724 119.431 118.700 0.012 0.000 2.295 483 N HA 0.365 5.488 4.740 0.638 0.000 0.293 483 N C -1.917 173.635 175.510 0.070 0.000 1.040 483 N CA -0.806 52.184 53.050 -0.101 0.000 0.840 483 N CB 1.360 39.693 38.487 -0.256 0.000 1.468 483 N HN 0.648 nan 8.380 nan 0.000 0.478 484 D N 1.789 122.183 120.400 -0.010 0.000 2.738 484 D HA 0.374 5.397 4.640 0.638 0.000 0.237 484 D C -1.044 175.323 176.300 0.112 0.000 1.123 484 D CA -0.550 53.515 54.000 0.109 0.000 0.856 484 D CB 2.191 43.003 40.800 0.020 0.000 1.552 484 D HN 0.341 nan 8.370 nan 0.000 0.480 485 M N 1.967 121.702 119.600 0.225 0.000 2.327 485 M HA 0.496 5.359 4.480 0.638 0.000 0.298 485 M C -2.120 174.233 176.300 0.090 0.000 1.065 485 M CA -0.728 54.671 55.300 0.165 0.000 0.916 485 M CB 1.802 34.602 32.600 0.333 0.000 1.630 485 M HN 0.405 nan 8.290 nan 0.000 0.442 486 I N 4.731 125.259 120.570 -0.069 0.000 2.433 486 I HA 0.498 5.051 4.170 0.638 0.000 0.292 486 I C -0.966 174.984 176.117 -0.278 0.000 1.001 486 I CA -0.611 60.516 61.300 -0.289 0.000 1.119 486 I CB 2.119 39.818 38.000 -0.503 0.000 1.289 486 I HN 0.370 nan 8.210 nan 0.000 0.438 487 V N 6.438 126.162 119.914 -0.316 0.000 2.350 487 V HA 0.413 4.916 4.120 0.638 0.000 0.285 487 V C -0.549 175.369 176.094 -0.294 0.000 1.014 487 V CA -0.557 61.646 62.300 -0.162 0.000 0.831 487 V CB 0.968 32.836 31.823 0.075 0.000 1.000 487 V HN 0.352 nan 8.190 nan 0.000 0.433 488 F N 2.210 122.116 119.950 -0.073 0.000 2.385 488 F HA 0.413 5.322 4.527 0.637 0.000 0.336 488 F C 1.411 177.187 175.800 -0.040 0.000 1.100 488 F CA -0.192 57.758 58.000 -0.083 0.000 1.116 488 F CB 1.658 40.607 39.000 -0.085 0.000 1.166 488 F HN 0.596 nan 8.300 nan 0.000 0.511 489 S N 1.941 117.764 115.700 0.205 0.000 3.550 489 S HA -0.130 4.723 4.470 0.638 0.000 0.372 489 S C -2.511 172.133 174.600 0.072 0.000 0.966 489 S CA -0.327 57.940 58.200 0.111 0.000 1.229 489 S CB -1.855 61.402 63.200 0.095 0.000 0.917 489 S HN 0.374 nan 8.310 nan 0.000 0.496 490 P HA 0.111 nan 4.420 nan 0.000 0.267 490 P C 1.216 178.541 177.300 0.041 0.000 1.209 490 P CA 0.071 63.200 63.100 0.048 0.000 0.763 490 P CB 0.608 32.335 31.700 0.045 0.000 0.816 491 T N -1.017 113.560 114.554 0.039 0.000 3.051 491 T HA -0.097 4.636 4.350 0.638 0.000 0.269 491 T C 1.215 175.932 174.700 0.029 0.000 1.127 491 T CA 1.504 63.623 62.100 0.031 0.000 1.107 491 T CB -1.049 67.834 68.868 0.026 0.000 0.898 491 T HN 0.492 nan 8.240 nan 0.000 0.517 492 T N -1.458 113.116 114.554 0.034 0.000 3.176 492 T HA 0.428 5.161 4.350 0.638 0.000 0.263 492 T C 0.378 175.100 174.700 0.036 0.000 1.021 492 T CA -0.410 61.710 62.100 0.033 0.000 0.905 492 T CB 0.094 68.983 68.868 0.034 0.000 1.057 492 T HN 0.290 nan 8.240 nan 0.000 0.558 493 S N 0.847 116.567 115.700 0.034 0.000 2.634 493 S HA 0.463 5.316 4.470 0.638 0.000 0.296 493 S C 0.028 174.642 174.600 0.024 0.000 1.104 493 S CA -0.458 57.760 58.200 0.030 0.000 0.920 493 S CB 1.643 64.856 63.200 0.022 0.000 1.111 493 S HN 0.372 nan 8.310 nan 0.000 0.493 494 D N 0.889 121.303 120.400 0.022 0.000 2.349 494 D HA 0.121 5.144 4.640 0.638 0.000 0.215 494 D C 0.387 176.699 176.300 0.020 0.000 1.016 494 D CA 0.265 54.277 54.000 0.020 0.000 0.870 494 D CB 0.116 40.927 40.800 0.018 0.000 0.917 494 D HN 0.147 nan 8.370 nan 0.000 0.524 495 R N 0.438 120.948 120.500 0.016 0.000 2.598 495 R HA 0.327 5.050 4.340 0.638 0.000 0.279 495 R C -1.922 174.389 176.300 0.019 0.000 0.984 495 R CA -1.801 54.308 56.100 0.016 0.000 0.999 495 R CB 0.882 31.182 30.300 0.001 0.000 1.114 495 R HN -0.057 nan 8.270 nan 0.000 0.493 496 P HA 0.030 nan 4.420 nan 0.000 0.245 496 P C -0.069 177.277 177.300 0.076 0.000 1.212 496 P CA 0.487 63.629 63.100 0.070 0.000 0.774 496 P CB 0.519 32.275 31.700 0.094 0.000 0.999 497 V N -0.599 119.299 119.914 -0.026 0.000 2.969 497 V HA 0.435 4.938 4.120 0.638 0.000 0.304 497 V C -1.935 173.976 176.094 -0.306 0.000 1.192 497 V CA -0.988 61.180 62.300 -0.220 0.000 0.962 497 V CB 2.139 33.750 31.823 -0.353 0.000 1.045 497 V HN -0.258 nan 8.190 nan 0.000 0.428 498 L N 4.908 125.863 121.223 -0.446 0.000 2.388 498 L HA 1.028 5.751 4.340 0.638 0.000 0.264 498 L C -0.319 176.086 176.870 -0.776 0.000 0.998 498 L CA -0.518 53.960 54.840 -0.603 0.000 0.817 498 L CB 2.188 43.889 42.059 -0.597 0.000 1.338 498 L HN 0.894 nan 8.230 nan 0.000 0.414 499 A N 1.865 124.108 122.820 -0.962 0.000 2.549 499 A HA 0.830 5.533 4.320 0.638 0.000 0.297 499 A C -2.062 175.067 177.584 -0.760 0.000 1.061 499 A CA -0.506 51.149 52.037 -0.638 0.000 0.690 499 A CB 1.547 20.376 19.000 -0.284 0.000 1.287 499 A HN 0.668 nan 8.150 nan 0.000 0.402 500 W N 0.829 121.965 121.300 -0.274 0.000 3.031 500 W HA 0.563 5.605 4.660 0.636 0.000 0.337 500 W C -1.082 175.328 176.519 -0.181 0.000 1.187 500 W CA -0.239 56.921 57.345 -0.308 0.000 1.166 500 W CB 2.383 31.585 29.460 -0.431 0.000 1.437 500 W HN 1.023 nan 8.180 nan 0.000 0.551 501 D N -0.980 119.472 120.400 0.085 0.000 2.692 501 D HA 0.497 5.520 4.640 0.638 0.000 0.303 501 D C -1.950 174.417 176.300 0.112 0.000 1.278 501 D CA -0.594 53.473 54.000 0.111 0.000 0.852 501 D CB 1.935 42.756 40.800 0.036 0.000 1.375 501 D HN 0.154 nan 8.370 nan 0.000 0.453 502 V N -0.073 119.929 119.914 0.146 0.000 2.653 502 V HA 0.529 5.032 4.120 0.638 0.000 0.298 502 V C -1.789 174.388 176.094 0.139 0.000 1.097 502 V CA -0.450 61.946 62.300 0.160 0.000 0.908 502 V CB 1.538 33.528 31.823 0.278 0.000 1.024 502 V HN 0.590 nan 8.190 nan 0.000 0.435 503 V N 7.262 127.214 119.914 0.064 0.000 2.284 503 V HA 0.803 5.306 4.120 0.638 0.000 0.274 503 V C 0.566 176.658 176.094 -0.003 0.000 1.023 503 V CA 0.134 62.450 62.300 0.026 0.000 0.808 503 V CB 1.192 32.997 31.823 -0.030 0.000 1.035 503 V HN 1.123 nan 8.190 nan 0.000 0.445 504 A N 6.367 129.183 122.820 -0.008 0.000 2.312 504 A HA 0.842 5.545 4.320 0.638 0.000 0.326 504 A C -1.813 175.665 177.584 -0.177 0.000 1.172 504 A CA -1.638 50.317 52.037 -0.137 0.000 0.821 504 A CB 1.345 20.215 19.000 -0.217 0.000 1.166 504 A HN 0.577 nan 8.150 nan 0.000 0.493 505 P HA 0.146 nan 4.420 nan 0.000 0.220 505 P C 0.671 177.842 177.300 -0.215 0.000 1.152 505 P CA 1.484 64.337 63.100 -0.412 0.000 0.812 505 P CB 0.311 31.713 31.700 -0.497 0.000 0.792 506 G N -1.729 106.977 108.800 -0.158 0.000 2.506 506 G HA2 0.202 4.545 3.960 0.638 0.000 0.292 506 G HA3 0.202 4.545 3.960 0.638 0.000 0.292 506 G C -0.287 174.580 174.900 -0.055 0.000 1.425 506 G CA -0.255 44.803 45.100 -0.070 0.000 0.788 506 G HN -0.205 nan 8.290 nan 0.000 0.490 507 Q N 0.090 119.864 119.800 -0.044 0.000 2.135 507 Q HA 0.022 4.745 4.340 0.638 0.000 0.204 507 Q C 1.405 177.408 176.000 0.004 0.000 0.981 507 Q CA 2.160 57.906 55.803 -0.094 0.000 0.856 507 Q CB -0.184 28.452 28.738 -0.170 0.000 0.902 507 Q HN 0.614 nan 8.270 nan 0.000 0.425 508 S N -2.052 113.707 115.700 0.099 0.000 2.565 508 S HA 0.640 5.493 4.470 0.638 0.000 0.290 508 S C 0.413 175.120 174.600 0.180 0.000 1.150 508 S CA -0.325 57.985 58.200 0.184 0.000 1.058 508 S CB 1.442 64.802 63.200 0.267 0.000 1.032 508 S HN 0.391 nan 8.310 nan 0.000 0.510 509 G N 2.394 111.334 108.800 0.234 0.000 3.377 509 G HA2 0.209 4.552 3.960 0.638 0.000 0.257 509 G HA3 0.209 4.552 3.960 0.638 0.000 0.257 509 G C -0.182 174.940 174.900 0.370 0.000 1.038 509 G CA -0.340 44.901 45.100 0.235 0.000 0.809 509 G HN 0.598 nan 8.290 nan 0.000 0.526 510 F N 1.813 121.897 119.950 0.223 0.000 2.484 510 F HA 0.590 5.500 4.527 0.637 0.000 0.360 510 F C -0.120 175.739 175.800 0.099 0.000 1.101 510 F CA -0.703 57.385 58.000 0.146 0.000 1.251 510 F CB 0.564 39.627 39.000 0.106 0.000 1.132 510 F HN -0.154 nan 8.300 nan 0.000 0.570 511 I N 6.142 126.201 120.570 -0.851 0.000 2.478 511 I HA 0.378 4.931 4.170 0.638 0.000 0.287 511 I C -0.160 175.269 176.117 -1.146 0.000 1.042 511 I CA -1.014 59.832 61.300 -0.757 0.000 1.067 511 I CB 1.535 39.288 38.000 -0.412 0.000 1.233 511 I HN 0.771 nan 8.210 nan 0.000 0.431 512 A N 7.629 129.968 122.820 -0.803 0.000 2.406 512 A HA 0.357 5.060 4.320 0.638 0.000 0.243 512 A C -1.629 175.812 177.584 -0.240 0.000 1.082 512 A CA -0.798 50.995 52.037 -0.406 0.000 0.786 512 A CB -0.278 18.715 19.000 -0.011 0.000 1.029 512 A HN 0.587 nan 8.150 nan 0.000 0.495 513 P HA -0.196 nan 4.420 nan 0.000 0.217 513 P C 0.566 177.826 177.300 -0.067 0.000 1.151 513 P CA 1.838 64.896 63.100 -0.071 0.000 0.849 513 P CB -0.039 31.651 31.700 -0.016 0.000 0.787 514 D N -2.099 118.267 120.400 -0.056 0.000 2.363 514 D HA 0.065 5.088 4.640 0.638 0.000 0.226 514 D C 1.353 177.610 176.300 -0.071 0.000 1.020 514 D CA 0.744 54.714 54.000 -0.049 0.000 0.892 514 D CB -0.953 39.830 40.800 -0.029 0.000 0.900 514 D HN 0.257 nan 8.370 nan 0.000 0.531 515 G N -0.751 107.982 108.800 -0.111 0.000 2.157 515 G HA2 -0.241 4.102 3.960 0.638 0.000 0.239 515 G HA3 -0.241 4.102 3.960 0.638 0.000 0.239 515 G C 0.261 175.065 174.900 -0.160 0.000 0.982 515 G CA 0.171 45.189 45.100 -0.136 0.000 0.650 515 G HN 0.423 nan 8.290 nan 0.000 0.527 516 T N 1.369 115.842 114.554 -0.136 0.000 2.752 516 T HA 0.458 5.191 4.350 0.638 0.000 0.295 516 T C 0.598 175.199 174.700 -0.165 0.000 0.923 516 T CA -0.072 61.959 62.100 -0.115 0.000 1.112 516 T CB 2.119 70.959 68.868 -0.046 0.000 0.884 516 T HN 0.327 nan 8.240 nan 0.000 0.525 517 V N 4.020 123.805 119.914 -0.216 0.000 2.649 517 V HA 0.109 4.612 4.120 0.638 0.000 0.292 517 V C 0.748 176.789 176.094 -0.089 0.000 1.055 517 V CA -0.543 61.564 62.300 -0.321 0.000 1.023 517 V CB 1.443 32.921 31.823 -0.575 0.000 0.992 517 V HN 0.914 nan 8.190 nan 0.000 0.480 518 D N 3.169 123.607 120.400 0.063 0.000 2.419 518 D HA -0.023 5.000 4.640 0.638 0.000 0.236 518 D C 1.418 177.764 176.300 0.077 0.000 1.165 518 D CA 0.365 54.469 54.000 0.173 0.000 0.882 518 D CB 0.716 41.703 40.800 0.312 0.000 1.201 518 D HN 0.669 nan 8.370 nan 0.000 0.443 519 K N 1.561 121.940 120.400 -0.035 0.000 2.280 519 K HA -0.166 4.537 4.320 0.638 0.000 0.202 519 K C 0.421 176.853 176.600 -0.279 0.000 1.047 519 K CA 1.160 57.328 56.287 -0.197 0.000 0.942 519 K CB -0.048 32.242 32.500 -0.349 0.000 0.739 519 K HN 0.475 nan 8.250 nan 0.000 0.457 520 H N -0.599 118.545 119.070 0.123 0.000 2.503 520 H HA 0.071 5.010 4.556 0.638 0.000 0.296 520 H C 0.026 175.427 175.328 0.123 0.000 1.097 520 H CA -0.420 55.686 56.048 0.097 0.000 1.055 520 H CB 0.022 29.820 29.762 0.060 0.000 1.580 520 H HN 0.295 nan 8.280 nan 0.000 0.546 521 Y N 2.130 122.482 120.300 0.086 0.000 2.365 521 Y HA -0.054 4.880 4.550 0.641 0.000 0.293 521 Y C 1.356 177.266 175.900 0.017 0.000 1.119 521 Y CA 1.297 59.432 58.100 0.057 0.000 1.203 521 Y CB 0.897 39.380 38.460 0.038 0.000 1.026 521 Y HN 0.331 nan 8.280 nan 0.000 0.549 522 E N -1.395 118.867 120.200 0.103 0.000 2.858 522 E HA 0.052 4.785 4.350 0.638 0.000 0.195 522 E C 0.062 176.671 176.600 0.014 0.000 0.952 522 E CA 0.396 56.790 56.400 -0.010 0.000 1.294 522 E CB -0.423 29.320 29.700 0.072 0.000 1.048 522 E HN 0.404 nan 8.360 nan 0.000 0.485 523 D N 1.045 121.481 120.400 0.061 0.000 2.363 523 D HA -0.120 4.903 4.640 0.638 0.000 0.226 523 D C 1.152 177.481 176.300 0.049 0.000 1.020 523 D CA 0.285 54.328 54.000 0.072 0.000 0.892 523 D CB 0.190 41.070 40.800 0.134 0.000 0.900 523 D HN 0.339 nan 8.370 nan 0.000 0.531 524 Q N -0.732 119.075 119.800 0.011 0.000 2.189 524 Q HA 0.185 4.908 4.340 0.638 0.000 0.223 524 Q C 1.368 177.373 176.000 0.009 0.000 0.828 524 Q CA -0.347 55.466 55.803 0.017 0.000 0.967 524 Q CB 0.594 29.340 28.738 0.015 0.000 1.139 524 Q HN 0.087 nan 8.270 nan 0.000 0.497 525 L N 1.205 122.396 121.223 -0.053 0.000 2.027 525 L HA -0.156 4.567 4.340 0.638 0.000 0.206 525 L C 1.899 178.777 176.870 0.014 0.000 1.074 525 L CA 1.881 56.660 54.840 -0.102 0.000 0.745 525 L CB -0.040 41.907 42.059 -0.186 0.000 0.898 525 L HN -0.035 nan 8.230 nan 0.000 0.433 526 K N -0.911 119.500 120.400 0.019 0.000 2.097 526 K HA -0.159 4.544 4.320 0.638 0.000 0.205 526 K C 2.080 178.708 176.600 0.046 0.000 1.050 526 K CA 1.612 57.919 56.287 0.033 0.000 0.938 526 K CB -0.567 31.950 32.500 0.027 0.000 0.718 526 K HN 0.416 nan 8.250 nan 0.000 0.442 527 M N 0.029 119.666 119.600 0.060 0.000 2.080 527 M HA -0.257 4.606 4.480 0.638 0.000 0.260 527 M C 2.227 178.579 176.300 0.086 0.000 1.068 527 M CA 1.697 57.039 55.300 0.070 0.000 1.109 527 M CB -0.298 32.347 32.600 0.076 0.000 1.342 527 M HN 0.085 nan 8.290 nan 0.000 0.405 528 Y N 0.985 121.285 120.300 -0.001 0.000 2.097 528 Y HA -0.325 4.605 4.550 0.633 0.000 0.282 528 Y C 2.299 178.110 175.900 -0.148 0.000 1.152 528 Y CA 2.574 60.670 58.100 -0.007 0.000 1.136 528 Y CB -0.552 37.956 38.460 0.080 0.000 0.975 528 Y HN 0.432 nan 8.280 nan 0.000 0.498 529 E N 0.313 120.513 120.200 -0.001 0.000 2.070 529 E HA -0.299 4.434 4.350 0.638 0.000 0.197 529 E C 1.001 177.391 176.600 -0.350 0.000 1.004 529 E CA 1.717 58.024 56.400 -0.155 0.000 0.805 529 E CB -0.391 29.300 29.700 -0.016 0.000 0.744 529 E HN 0.726 nan 8.360 nan 0.000 0.451 530 N N -0.572 118.020 118.700 -0.179 0.000 2.322 530 N HA -0.017 5.106 4.740 0.638 0.000 0.216 530 N C -0.629 174.927 175.510 0.077 0.000 1.144 530 N CA 0.008 53.024 53.050 -0.056 0.000 0.830 530 N CB -0.434 38.076 38.487 0.039 0.000 1.034 530 N HN 0.191 nan 8.380 nan 0.000 0.484 531 F N -1.812 118.129 119.950 -0.015 0.000 3.093 531 F HA -0.193 4.714 4.527 0.634 0.000 0.287 531 F C 1.246 177.187 175.800 0.235 0.000 0.882 531 F CA 0.483 58.528 58.000 0.075 0.000 1.063 531 F CB -1.811 37.220 39.000 0.051 0.000 1.097 531 F HN 0.316 nan 8.300 nan 0.000 0.604 532 G N 0.273 109.193 108.800 0.200 0.000 2.563 532 G HA2 0.744 5.087 3.960 0.638 0.000 0.283 532 G HA3 0.744 5.087 3.960 0.638 0.000 0.283 532 G C -0.123 174.823 174.900 0.076 0.000 1.309 532 G CA -0.295 44.861 45.100 0.094 0.000 1.022 532 G HN 0.500 nan 8.290 nan 0.000 0.501 533 R N -1.474 118.976 120.500 -0.084 0.000 2.687 533 R HA 0.518 5.241 4.340 0.638 0.000 0.265 533 R C -1.640 174.631 176.300 -0.049 0.000 1.048 533 R CA -1.183 54.846 56.100 -0.118 0.000 0.884 533 R CB 1.119 31.085 30.300 -0.556 0.000 1.258 533 R HN 0.593 nan 8.270 nan 0.000 0.469 534 K N 0.305 120.709 120.400 0.007 0.000 2.340 534 K HA 0.542 5.245 4.320 0.638 0.000 0.244 534 K C -0.781 175.733 176.600 -0.143 0.000 0.973 534 K CA -0.937 55.337 56.287 -0.022 0.000 0.828 534 K CB 1.855 34.318 32.500 -0.061 0.000 1.226 534 K HN 0.459 nan 8.250 nan 0.000 0.437 535 S N 0.984 116.425 115.700 -0.432 0.000 2.562 535 S HA 0.220 5.073 4.470 0.638 0.000 0.281 535 S C -0.215 173.657 174.600 -1.213 0.000 1.333 535 S CA -0.672 56.896 58.200 -1.055 0.000 1.052 535 S CB -0.073 62.182 63.200 -1.575 0.000 0.884 535 S HN 0.384 nan 8.310 nan 0.000 0.506 536 L N 3.010 123.616 121.223 -1.028 0.000 2.282 536 L HA 0.430 5.153 4.340 0.638 0.000 0.288 536 L C -0.670 175.759 176.870 -0.735 0.000 1.033 536 L CA -0.479 53.918 54.840 -0.739 0.000 0.807 536 L CB 0.698 42.525 42.059 -0.386 0.000 1.209 536 L HN 0.711 nan 8.230 nan 0.000 0.423 537 W N 4.031 125.221 121.300 -0.182 0.000 2.375 537 W HA 0.419 5.463 4.660 0.641 0.000 0.336 537 W C 0.474 176.943 176.519 -0.083 0.000 1.160 537 W CA -0.659 56.594 57.345 -0.153 0.000 1.266 537 W CB 1.142 30.515 29.460 -0.144 0.000 1.195 537 W HN 0.351 nan 8.180 nan 0.000 0.599 538 L N 1.127 122.475 121.223 0.208 0.000 2.691 538 L HA 0.211 4.934 4.340 0.638 0.000 0.185 538 L C 1.315 178.230 176.870 0.076 0.000 1.081 538 L CA 0.851 55.776 54.840 0.142 0.000 0.865 538 L CB -0.587 41.543 42.059 0.118 0.000 1.370 538 L HN 0.389 nan 8.230 nan 0.000 0.488 539 T N -1.884 112.706 114.554 0.061 0.000 2.900 539 T HA 0.078 4.811 4.350 0.638 0.000 0.307 539 T C 1.074 175.727 174.700 -0.078 0.000 1.065 539 T CA -0.114 61.983 62.100 -0.005 0.000 1.105 539 T CB 0.640 69.516 68.868 0.014 0.000 0.979 539 T HN 0.258 nan 8.240 nan 0.000 0.544 540 K N 1.012 121.349 120.400 -0.104 0.000 2.074 540 K HA -0.189 4.514 4.320 0.638 0.000 0.209 540 K C 2.594 179.135 176.600 -0.099 0.000 1.048 540 K CA 1.941 58.155 56.287 -0.122 0.000 0.926 540 K CB -0.166 32.280 32.500 -0.089 0.000 0.713 540 K HN 0.695 nan 8.250 nan 0.000 0.444 541 Q N 0.376 120.129 119.800 -0.079 0.000 2.167 541 Q HA -0.147 4.576 4.340 0.638 0.000 0.202 541 Q C 1.516 177.438 176.000 -0.130 0.000 0.970 541 Q CA 1.120 56.869 55.803 -0.091 0.000 0.855 541 Q CB 0.040 28.737 28.738 -0.068 0.000 0.911 541 Q HN 0.280 nan 8.270 nan 0.000 0.438 542 D N -0.013 120.312 120.400 -0.125 0.000 2.103 542 D HA -0.103 4.920 4.640 0.638 0.000 0.199 542 D C 2.013 178.117 176.300 -0.328 0.000 0.978 542 D CA 0.802 54.663 54.000 -0.232 0.000 0.829 542 D CB -0.137 40.601 40.800 -0.104 0.000 0.981 542 D HN -0.011 nan 8.370 nan 0.000 0.464 543 V N 0.918 120.732 119.914 -0.165 0.000 2.287 543 V HA -0.246 4.257 4.120 0.638 0.000 0.248 543 V C 2.427 178.443 176.094 -0.131 0.000 1.053 543 V CA 1.850 64.083 62.300 -0.111 0.000 1.027 543 V CB -0.451 31.344 31.823 -0.046 0.000 0.646 543 V HN 0.125 nan 8.190 nan 0.000 0.447 544 E N 0.754 120.876 120.200 -0.129 0.000 2.085 544 E HA -0.189 4.544 4.350 0.638 0.000 0.194 544 E C 2.052 178.548 176.600 -0.173 0.000 0.994 544 E CA 1.669 57.997 56.400 -0.121 0.000 0.801 544 E CB -0.486 29.152 29.700 -0.103 0.000 0.743 544 E HN 0.538 nan 8.360 nan 0.000 0.453 545 A N -0.456 122.215 122.820 -0.249 0.000 2.119 545 A HA -0.109 4.594 4.320 0.638 0.000 0.217 545 A C 1.267 178.487 177.584 -0.606 0.000 1.153 545 A CA 1.247 53.047 52.037 -0.395 0.000 0.692 545 A CB -0.431 18.299 19.000 -0.450 0.000 0.799 545 A HN 0.393 nan 8.150 nan 0.000 0.458 546 H N -1.052 117.791 119.070 -0.377 0.000 2.528 546 H HA 0.162 5.101 4.556 0.639 0.000 0.282 546 H C 0.150 175.405 175.328 -0.121 0.000 1.097 546 H CA -0.234 55.635 56.048 -0.298 0.000 1.121 546 H CB 0.114 29.539 29.762 -0.561 0.000 1.590 546 H HN 0.450 nan 8.280 nan 0.000 0.553 547 K N 2.495 122.864 120.400 -0.051 0.000 2.448 547 K HA -0.054 4.649 4.320 0.638 0.000 0.278 547 K C 1.197 177.805 176.600 0.014 0.000 1.009 547 K CA 0.151 56.434 56.287 -0.007 0.000 0.995 547 K CB 0.909 33.390 32.500 -0.031 0.000 0.917 547 K HN 0.402 nan 8.250 nan 0.000 0.481 548 E N 2.354 122.582 120.200 0.046 0.000 2.399 548 E HA 0.005 4.738 4.350 0.638 0.000 0.205 548 E C -0.595 176.033 176.600 0.047 0.000 0.906 548 E CA 0.006 56.442 56.400 0.060 0.000 0.998 548 E CB 0.423 30.192 29.700 0.114 0.000 1.002 548 E HN 0.589 nan 8.360 nan 0.000 0.501 549 S N -0.568 115.157 115.700 0.042 0.000 2.588 549 S HA 0.431 5.284 4.470 0.638 0.000 0.269 549 S C -1.113 173.501 174.600 0.024 0.000 1.157 549 S CA -0.946 57.273 58.200 0.032 0.000 0.824 549 S CB 2.068 65.293 63.200 0.041 0.000 1.126 549 S HN 0.197 nan 8.310 nan 0.000 0.464 550 Q N 0.109 119.920 119.800 0.018 0.000 2.353 550 Q HA 0.581 5.304 4.340 0.638 0.000 0.275 550 Q C -2.101 173.908 176.000 0.015 0.000 1.029 550 Q CA -0.352 55.460 55.803 0.015 0.000 0.848 550 Q CB 2.216 30.959 28.738 0.008 0.000 1.390 550 Q HN 0.890 nan 8.270 nan 0.000 0.401 551 E N 2.196 122.405 120.200 0.014 0.000 2.335 551 E HA 0.513 5.246 4.350 0.638 0.000 0.280 551 E C -1.921 174.684 176.600 0.008 0.000 0.918 551 E CA -0.646 55.763 56.400 0.015 0.000 0.765 551 E CB 2.269 31.976 29.700 0.012 0.000 1.218 551 E HN 0.373 nan 8.360 nan 0.000 0.425 552 V N 5.070 124.994 119.914 0.016 0.000 2.487 552 V HA 0.441 4.944 4.120 0.638 0.000 0.298 552 V C -0.216 175.869 176.094 -0.016 0.000 1.028 552 V CA -0.695 61.595 62.300 -0.017 0.000 0.860 552 V CB 1.311 33.140 31.823 0.011 0.000 0.991 552 V HN 0.625 nan 8.190 nan 0.000 0.427 553 L N 4.304 125.469 121.223 -0.097 0.000 2.325 553 L HA 0.631 5.354 4.340 0.638 0.000 0.278 553 L C -0.865 175.875 176.870 -0.217 0.000 1.023 553 L CA -0.706 54.099 54.840 -0.058 0.000 0.811 553 L CB 1.548 43.587 42.059 -0.033 0.000 1.249 553 L HN 0.658 nan 8.230 nan 0.000 0.431 554 H N 1.423 120.498 119.070 0.009 0.000 2.762 554 H HA 0.620 5.559 4.556 0.639 0.000 0.310 554 H C -1.049 174.284 175.328 0.009 0.000 1.004 554 H CA -0.377 55.677 56.048 0.010 0.000 1.267 554 H CB 1.637 31.404 29.762 0.008 0.000 1.437 554 H HN 0.191 nan 8.280 nan 0.000 0.498 555 V N 3.557 123.514 119.914 0.072 0.000 2.888 555 V HA 0.341 4.844 4.120 0.638 0.000 0.309 555 V C -0.876 175.241 176.094 0.037 0.000 1.114 555 V CA -1.080 61.249 62.300 0.048 0.000 0.940 555 V CB 2.202 34.039 31.823 0.023 0.000 1.021 555 V HN 0.736 nan 8.190 nan 0.000 0.426 556 Q N 2.622 122.443 119.800 0.034 0.000 2.353 556 Q HA 0.713 5.436 4.340 0.638 0.000 0.268 556 Q C -0.305 175.707 176.000 0.019 0.000 1.045 556 Q CA -0.879 54.940 55.803 0.026 0.000 0.811 556 Q CB 2.673 31.428 28.738 0.028 0.000 1.305 556 Q HN 0.669 nan 8.270 nan 0.000 0.447 557 R N 0.000 120.510 120.500 0.016 0.000 2.786 557 R HA 0.000 4.723 4.340 0.638 0.000 0.208 557 R CA 0.000 56.108 56.100 0.012 0.000 0.921 557 R CB 0.000 30.307 30.300 0.012 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535