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 1ai5_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNMWVIGKSK AQDAKAIMVN GPQFGWYAPA YTYGIGLHGA GYDVTGNTPF DATA SEQUENCE AYPGLVFGHN GVISWGSTAG FGDDVDIFAE RLSAEKPGYY LHNGKWVKML DATA SEQUENCE SREETITVKN GQAETFTVWR TVHGNILQTD QTTQTAYAKS RAWDGKEVAS DATA SEQUENCE LLAWTHQMKA KNWQQWTQQA 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 0.000 174.699 174.600 0.164 0.000 1.055 1 S CA 0.000 58.285 58.200 0.142 0.000 1.107 1 S CB 0.000 63.237 63.200 0.062 0.000 0.593 2 N N 0.989 119.597 118.700 -0.152 0.000 2.545 2 N HA 0.889 5.625 4.740 -0.006 0.000 0.289 2 N C -1.038 174.300 175.510 -0.287 0.000 1.279 2 N CA -0.952 51.935 53.050 -0.273 0.000 0.824 2 N CB 1.701 39.707 38.487 -0.801 0.000 1.395 2 N HN 0.497 nan 8.380 nan 0.000 0.526 3 M N 0.182 119.631 119.600 -0.251 0.000 2.389 3 M HA 0.394 4.870 4.480 -0.006 0.000 0.291 3 M C -2.552 173.688 176.300 -0.101 0.000 1.128 3 M CA -0.367 54.675 55.300 -0.431 0.000 0.942 3 M CB 1.469 33.660 32.600 -0.682 0.000 1.783 3 M HN 0.796 nan 8.290 nan 0.000 0.501 4 W N 3.896 125.073 121.300 -0.204 0.000 2.781 4 W HA 0.808 5.465 4.660 -0.006 0.000 0.333 4 W C -2.004 174.492 176.519 -0.039 0.000 1.047 4 W CA -1.268 56.016 57.345 -0.101 0.000 1.236 4 W CB 0.679 30.073 29.460 -0.109 0.000 1.394 4 W HN 0.511 nan 8.180 nan 0.000 0.466 5 V N 4.713 124.756 119.914 0.215 0.000 2.448 5 V HA 0.486 4.602 4.120 -0.006 0.000 0.295 5 V C -0.297 175.935 176.094 0.229 0.000 1.025 5 V CA -1.061 61.346 62.300 0.179 0.000 0.859 5 V CB 1.446 33.394 31.823 0.208 0.000 0.988 5 V HN 0.612 nan 8.190 nan 0.000 0.431 6 I N 3.956 124.637 120.570 0.186 0.000 2.355 6 I HA 0.606 4.772 4.170 -0.006 0.000 0.288 6 I C 0.993 177.182 176.117 0.120 0.000 0.999 6 I CA 0.100 61.500 61.300 0.167 0.000 1.163 6 I CB 1.609 39.690 38.000 0.136 0.000 1.316 6 I HN 0.766 nan 8.210 nan 0.000 0.454 7 G N 4.162 113.023 108.800 0.101 0.000 2.525 7 G HA2 0.208 4.164 3.960 -0.006 0.000 0.287 7 G HA3 0.208 4.164 3.960 -0.006 0.000 0.287 7 G C 0.697 175.620 174.900 0.039 0.000 1.350 7 G CA -0.403 44.728 45.100 0.052 0.000 1.039 7 G HN 0.615 nan 8.290 nan 0.000 0.513 8 K N -0.779 119.628 120.400 0.012 0.000 2.052 8 K HA -0.214 4.102 4.320 -0.006 0.000 0.215 8 K C 2.794 179.401 176.600 0.012 0.000 1.053 8 K CA 2.280 58.572 56.287 0.008 0.000 0.934 8 K CB -0.244 32.248 32.500 -0.013 0.000 0.717 8 K HN 0.480 nan 8.250 nan 0.000 0.450 9 S N -0.215 115.490 115.700 0.008 0.000 2.561 9 S HA 0.013 4.479 4.470 -0.006 0.000 0.225 9 S C 1.436 176.050 174.600 0.023 0.000 0.977 9 S CA 0.640 58.846 58.200 0.011 0.000 0.926 9 S CB 0.236 63.438 63.200 0.003 0.000 0.769 9 S HN 0.196 nan 8.310 nan 0.000 0.533 10 K N 0.398 120.820 120.400 0.036 0.000 2.402 10 K HA 0.420 4.736 4.320 -0.006 0.000 0.203 10 K C 0.278 176.893 176.600 0.025 0.000 1.077 10 K CA 0.205 56.513 56.287 0.035 0.000 1.051 10 K CB 1.002 33.541 32.500 0.065 0.000 0.907 10 K HN 0.415 nan 8.250 nan 0.000 0.554 11 A N 1.651 124.490 122.820 0.032 0.000 2.327 11 A HA 0.274 4.590 4.320 -0.006 0.000 0.283 11 A C -0.491 177.107 177.584 0.022 0.000 1.127 11 A CA -0.096 51.961 52.037 0.034 0.000 0.810 11 A CB 0.789 19.817 19.000 0.048 0.000 1.066 11 A HN 0.108 nan 8.150 nan 0.000 0.492 12 Q N 1.373 121.184 119.800 0.018 0.000 2.322 12 Q HA 0.462 4.798 4.340 -0.006 0.000 0.265 12 Q C -0.929 175.082 176.000 0.018 0.000 0.985 12 Q CA 0.046 55.856 55.803 0.012 0.000 0.849 12 Q CB 0.906 29.645 28.738 0.001 0.000 1.274 12 Q HN 0.714 nan 8.270 nan 0.000 0.449 13 D N 1.537 121.949 120.400 0.020 0.000 3.017 13 D HA -0.172 4.464 4.640 -0.006 0.000 0.220 13 D C -0.980 175.342 176.300 0.035 0.000 1.141 13 D CA 1.394 55.408 54.000 0.024 0.000 0.848 13 D CB -1.420 39.392 40.800 0.019 0.000 1.102 13 D HN 0.697 nan 8.370 nan 0.000 0.427 14 A N -1.208 121.637 122.820 0.041 0.000 2.540 14 A HA 0.572 4.888 4.320 -0.006 0.000 0.291 14 A C 0.259 177.879 177.584 0.060 0.000 1.083 14 A CA -0.586 51.484 52.037 0.056 0.000 0.650 14 A CB 1.001 20.040 19.000 0.064 0.000 1.292 14 A HN -0.116 nan 8.150 nan 0.000 0.435 15 K N -0.445 120.004 120.400 0.081 0.000 2.335 15 K HA 0.509 4.826 4.320 -0.006 0.000 0.195 15 K C 0.344 176.993 176.600 0.082 0.000 1.058 15 K CA 1.169 57.497 56.287 0.068 0.000 0.988 15 K CB 0.965 33.503 32.500 0.063 0.000 0.880 15 K HN 1.074 nan 8.250 nan 0.000 0.513 16 A N 1.251 124.150 122.820 0.132 0.000 2.577 16 A HA 0.612 4.928 4.320 -0.006 0.000 0.297 16 A C -1.521 176.155 177.584 0.153 0.000 1.060 16 A CA -0.707 51.417 52.037 0.146 0.000 0.697 16 A CB 1.084 20.175 19.000 0.151 0.000 1.281 16 A HN 0.097 nan 8.150 nan 0.000 0.402 17 I N 2.246 122.886 120.570 0.117 0.000 2.499 17 I HA 0.546 4.712 4.170 -0.006 0.000 0.288 17 I C -0.356 175.800 176.117 0.064 0.000 1.048 17 I CA -0.257 61.091 61.300 0.080 0.000 1.062 17 I CB 2.151 40.202 38.000 0.085 0.000 1.238 17 I HN 0.796 nan 8.210 nan 0.000 0.426 18 M N 7.618 127.222 119.600 0.007 0.000 2.253 18 M HA 0.686 5.162 4.480 -0.006 0.000 0.314 18 M C -2.045 174.160 176.300 -0.158 0.000 1.019 18 M CA -0.532 54.739 55.300 -0.049 0.000 0.932 18 M CB 1.761 34.357 32.600 -0.007 0.000 1.606 18 M HN 0.350 nan 8.290 nan 0.000 0.430 19 V N 4.535 124.214 119.914 -0.391 0.000 2.483 19 V HA 0.549 4.665 4.120 -0.006 0.000 0.297 19 V C -0.801 174.816 176.094 -0.795 0.000 1.027 19 V CA -0.754 61.179 62.300 -0.612 0.000 0.855 19 V CB 1.793 33.000 31.823 -1.026 0.000 0.995 19 V HN 0.884 nan 8.190 nan 0.000 0.424 20 N N 2.769 121.147 118.700 -0.537 0.000 2.258 20 N HA 0.709 5.445 4.740 -0.006 0.000 0.299 20 N C -0.177 175.061 175.510 -0.454 0.000 1.047 20 N CA -0.229 52.555 53.050 -0.445 0.000 0.814 20 N CB 2.376 40.757 38.487 -0.177 0.000 1.413 20 N HN 0.860 nan 8.380 nan 0.000 0.478 21 G N 2.823 111.367 108.800 -0.427 0.000 4.040 21 G HA2 0.285 4.242 3.960 -0.006 0.000 0.328 21 G HA3 0.285 4.242 3.960 -0.006 0.000 0.328 21 G C -2.773 171.960 174.900 -0.279 0.000 1.503 21 G CA -0.994 43.896 45.100 -0.349 0.000 0.909 21 G HN 0.375 nan 8.290 nan 0.000 0.495 22 P HA 0.082 nan 4.420 nan 0.000 0.267 22 P C -0.535 176.466 177.300 -0.498 0.000 1.205 22 P CA 0.393 63.279 63.100 -0.357 0.000 0.765 22 P CB 1.285 32.855 31.700 -0.217 0.000 0.828 23 Q N 2.446 121.883 119.800 -0.606 0.000 2.413 23 Q HA 0.320 4.656 4.340 -0.006 0.000 0.258 23 Q C -0.448 175.148 176.000 -0.674 0.000 1.037 23 Q CA -0.276 55.220 55.803 -0.511 0.000 0.764 23 Q CB 0.744 29.369 28.738 -0.189 0.000 1.217 23 Q HN 0.446 nan 8.270 nan 0.000 0.490 24 F N 0.334 119.998 119.950 -0.477 0.000 2.706 24 F HA 0.388 4.911 4.527 -0.006 0.000 0.313 24 F C 1.114 176.645 175.800 -0.448 0.000 1.096 24 F CA 0.137 57.832 58.000 -0.509 0.000 1.219 24 F CB 1.339 39.733 39.000 -1.011 0.000 1.051 24 F HN 0.689 nan 8.300 nan 0.000 0.568 25 G N -0.444 108.009 108.800 -0.579 0.000 2.525 25 G HA2 -0.113 3.843 3.960 -0.006 0.000 0.685 25 G HA3 -0.113 3.843 3.960 -0.006 0.000 0.685 25 G C -1.475 172.793 174.900 -1.054 0.000 1.290 25 G CA -1.255 43.452 45.100 -0.655 0.000 0.915 25 G HN 0.049 nan 8.290 nan 0.000 0.548 26 W N -0.056 120.797 121.300 -0.745 0.000 2.683 26 W HA 0.653 5.309 4.660 -0.006 0.000 0.329 26 W C -1.068 174.916 176.519 -0.892 0.000 1.037 26 W CA -0.732 56.165 57.345 -0.747 0.000 1.232 26 W CB 1.900 30.788 29.460 -0.954 0.000 1.390 26 W HN 0.542 nan 8.180 nan 0.000 0.465 27 Y N 0.690 121.160 120.300 0.285 0.000 2.576 27 Y HA 0.671 5.217 4.550 -0.006 0.000 0.346 27 Y C -0.123 175.937 175.900 0.266 0.000 1.018 27 Y CA -1.460 56.794 58.100 0.258 0.000 1.050 27 Y CB 1.939 40.516 38.460 0.195 0.000 1.280 27 Y HN 0.370 nan 8.280 nan 0.000 0.474 28 A N 2.852 125.857 122.820 0.309 0.000 2.375 28 A HA 0.746 5.062 4.320 -0.006 0.000 0.295 28 A C -3.016 174.632 177.584 0.107 0.000 1.066 28 A CA -1.860 50.248 52.037 0.119 0.000 0.722 28 A CB 1.026 20.053 19.000 0.046 0.000 1.206 28 A HN 0.356 nan 8.150 nan 0.000 0.435 29 P HA 0.392 nan 4.420 nan 0.000 0.274 29 P C 0.331 177.663 177.300 0.052 0.000 1.256 29 P CA -0.132 62.967 63.100 -0.003 0.000 0.795 29 P CB 0.608 32.309 31.700 0.002 0.000 1.038 30 A N 0.420 123.255 122.820 0.025 0.000 2.561 30 A HA -0.113 4.203 4.320 -0.006 0.000 0.234 30 A C 1.024 178.620 177.584 0.020 0.000 1.055 30 A CA 0.164 52.243 52.037 0.069 0.000 0.756 30 A CB -0.921 18.089 19.000 0.016 0.000 0.986 30 A HN 0.660 nan 8.150 nan 0.000 0.505 31 Y N 2.222 122.493 120.300 -0.049 0.000 2.181 31 Y HA -0.070 4.476 4.550 -0.006 0.000 0.288 31 Y C 1.809 177.514 175.900 -0.326 0.000 1.146 31 Y CA 2.187 60.140 58.100 -0.245 0.000 1.164 31 Y CB -0.110 38.266 38.460 -0.139 0.000 0.982 31 Y HN 0.799 nan 8.280 nan 0.000 0.515 32 T N -2.661 111.856 114.554 -0.061 0.000 2.949 32 T HA 0.361 4.708 4.350 -0.006 0.000 0.287 32 T C -1.577 173.121 174.700 -0.003 0.000 1.034 32 T CA -0.617 61.440 62.100 -0.071 0.000 1.018 32 T CB 1.855 70.784 68.868 0.101 0.000 1.135 32 T HN 0.115 nan 8.240 nan 0.000 0.532 33 Y N 0.025 120.255 120.300 -0.118 0.000 2.329 33 Y HA 0.571 5.117 4.550 -0.007 0.000 0.328 33 Y C 0.094 175.965 175.900 -0.050 0.000 0.992 33 Y CA -0.723 57.321 58.100 -0.093 0.000 1.151 33 Y CB 1.285 39.666 38.460 -0.132 0.000 1.150 33 Y HN 1.137 nan 8.280 nan 0.000 0.450 34 G N 5.267 113.721 108.800 -0.577 0.000 2.390 34 G HA2 0.490 4.446 3.960 -0.006 0.000 0.270 34 G HA3 0.490 4.446 3.960 -0.006 0.000 0.270 34 G C -1.566 173.110 174.900 -0.374 0.000 1.211 34 G CA -0.268 44.621 45.100 -0.352 0.000 0.842 34 G HN 0.731 nan 8.290 nan 0.000 0.519 35 I N 0.878 121.372 120.570 -0.127 0.000 2.731 35 I HA 0.593 4.760 4.170 -0.006 0.000 0.289 35 I C -0.189 175.912 176.117 -0.028 0.000 1.399 35 I CA -0.287 60.997 61.300 -0.027 0.000 1.048 35 I CB 1.861 39.926 38.000 0.109 0.000 1.345 35 I HN 0.748 nan 8.210 nan 0.000 0.425 36 G N 7.347 116.134 108.800 -0.023 0.000 2.461 36 G HA2 0.723 4.679 3.960 -0.006 0.000 0.323 36 G HA3 0.723 4.679 3.960 -0.006 0.000 0.323 36 G C -1.678 173.051 174.900 -0.285 0.000 1.229 36 G CA -0.621 44.425 45.100 -0.090 0.000 0.941 36 G HN 0.588 nan 8.290 nan 0.000 0.477 37 L N 3.026 123.895 121.223 -0.590 0.000 2.404 37 L HA 0.441 4.777 4.340 -0.006 0.000 0.272 37 L C -0.965 175.553 176.870 -0.588 0.000 0.980 37 L CA -0.898 53.677 54.840 -0.442 0.000 0.836 37 L CB 2.076 43.990 42.059 -0.241 0.000 1.238 37 L HN 0.506 nan 8.230 nan 0.000 0.408 38 H N 2.963 122.081 119.070 0.079 0.000 2.854 38 H HA 0.708 5.260 4.556 -0.007 0.000 0.275 38 H C 0.023 175.407 175.328 0.094 0.000 1.198 38 H CA -0.576 55.527 56.048 0.092 0.000 1.489 38 H CB 1.978 31.776 29.762 0.061 0.000 1.519 38 H HN 0.830 nan 8.280 nan 0.000 0.503 39 G N 0.090 109.011 108.800 0.201 0.000 2.350 39 G HA2 0.378 4.334 3.960 -0.006 0.000 0.305 39 G HA3 0.378 4.334 3.960 -0.006 0.000 0.305 39 G C -0.312 174.713 174.900 0.208 0.000 1.479 39 G CA -0.182 45.017 45.100 0.165 0.000 0.949 39 G HN 0.785 nan 8.290 nan 0.000 0.651 40 A N -1.152 121.758 122.820 0.150 0.000 2.745 40 A HA 0.357 4.673 4.320 -0.006 0.000 0.296 40 A C 2.575 180.197 177.584 0.064 0.000 1.500 40 A CA 2.230 54.351 52.037 0.140 0.000 0.766 40 A CB -1.491 17.637 19.000 0.214 0.000 1.030 40 A HN 3.227 nan 8.150 nan 0.000 0.489 41 G N -3.632 105.169 108.800 0.002 0.000 2.225 41 G HA2 -0.299 3.657 3.960 -0.006 0.000 0.254 41 G HA3 -0.299 3.657 3.960 -0.006 0.000 0.254 41 G C 0.026 174.792 174.900 -0.222 0.000 0.988 41 G CA 0.806 45.828 45.100 -0.131 0.000 0.625 41 G HN 1.524 nan 8.290 nan 0.000 0.527 42 Y N 0.648 120.984 120.300 0.060 0.000 2.323 42 Y HA 0.611 5.156 4.550 -0.007 0.000 0.331 42 Y C 0.153 176.088 175.900 0.059 0.000 1.092 42 Y CA -0.803 57.330 58.100 0.055 0.000 1.150 42 Y CB 1.772 40.243 38.460 0.018 0.000 1.200 42 Y HN 0.041 nan 8.280 nan 0.000 0.472 43 D N 2.553 123.093 120.400 0.232 0.000 2.586 43 D HA 0.359 4.995 4.640 -0.006 0.000 0.254 43 D C -1.569 174.817 176.300 0.144 0.000 1.248 43 D CA -0.146 53.975 54.000 0.203 0.000 0.843 43 D CB 0.436 41.367 40.800 0.218 0.000 1.332 43 D HN 0.331 nan 8.370 nan 0.000 0.523 44 V N -0.721 119.198 119.914 0.009 0.000 3.040 44 V HA 0.950 5.066 4.120 -0.006 0.000 0.312 44 V C -0.492 175.532 176.094 -0.117 0.000 1.115 44 V CA -0.523 61.783 62.300 0.011 0.000 0.998 44 V CB 2.116 34.054 31.823 0.192 0.000 1.042 44 V HN 0.201 nan 8.190 nan 0.000 0.433 45 T N 0.942 115.393 114.554 -0.171 0.000 3.041 45 T HA 0.868 5.214 4.350 -0.006 0.000 0.321 45 T C -0.217 174.391 174.700 -0.153 0.000 1.184 45 T CA 0.601 62.608 62.100 -0.157 0.000 1.050 45 T CB 1.005 69.773 68.868 -0.168 0.000 1.159 45 T HN 2.251 nan 8.240 nan 0.000 0.469 46 G N 3.362 112.119 108.800 -0.071 0.000 2.404 46 G HA2 0.408 4.365 3.960 -0.006 0.000 0.253 46 G HA3 0.408 4.365 3.960 -0.006 0.000 0.253 46 G C -1.878 173.037 174.900 0.025 0.000 1.253 46 G CA -0.133 44.954 45.100 -0.022 0.000 0.917 46 G HN 1.193 nan 8.290 nan 0.000 0.480 47 N N -1.733 117.039 118.700 0.121 0.000 2.416 47 N HA 0.744 5.481 4.740 -0.006 0.000 0.276 47 N C -1.123 174.537 175.510 0.250 0.000 1.261 47 N CA -0.149 52.980 53.050 0.131 0.000 0.790 47 N CB 2.542 41.077 38.487 0.080 0.000 1.554 47 N HN 0.733 nan 8.380 nan 0.000 0.481 48 T N 0.102 114.749 114.554 0.156 0.000 2.982 48 T HA 0.517 4.864 4.350 -0.006 0.000 0.321 48 T C -3.071 171.538 174.700 -0.152 0.000 1.229 48 T CA -1.322 60.797 62.100 0.032 0.000 1.044 48 T CB 1.284 70.126 68.868 -0.043 0.000 1.184 48 T HN 0.453 nan 8.240 nan 0.000 0.477 49 P HA 0.248 nan 4.420 nan 0.000 0.265 49 P C 0.036 176.747 177.300 -0.982 0.000 1.193 49 P CA 0.317 62.991 63.100 -0.710 0.000 0.765 49 P CB -0.284 31.021 31.700 -0.658 0.000 0.823 50 F N 1.030 120.473 119.950 -0.845 0.000 3.100 50 F HA -0.284 4.239 4.527 -0.007 0.000 0.284 50 F C 1.299 176.793 175.800 -0.510 0.000 0.875 50 F CA 0.830 58.452 58.000 -0.630 0.000 1.039 50 F CB -2.513 36.160 39.000 -0.546 0.000 1.111 50 F HN 0.553 nan 8.300 nan 0.000 0.575 51 A N -2.273 120.367 122.820 -0.300 0.000 2.704 51 A HA -0.259 4.057 4.320 -0.006 0.000 0.299 51 A C 0.555 178.072 177.584 -0.112 0.000 1.507 51 A CA 0.907 52.820 52.037 -0.206 0.000 0.776 51 A CB -2.259 16.457 19.000 -0.472 0.000 1.027 51 A HN 0.522 nan 8.150 nan 0.000 0.475 52 Y N -1.497 118.748 120.300 -0.092 0.000 2.757 52 Y HA 0.144 4.690 4.550 -0.007 0.000 0.344 52 Y C -0.281 175.548 175.900 -0.120 0.000 1.263 52 Y CA -0.586 57.437 58.100 -0.127 0.000 1.493 52 Y CB -0.512 37.832 38.460 -0.192 0.000 1.342 52 Y HN 0.225 nan 8.280 nan 0.000 0.627 53 P HA -0.120 nan 4.420 nan 0.000 0.216 53 P C 0.384 177.653 177.300 -0.050 0.000 1.157 53 P CA 1.883 64.957 63.100 -0.044 0.000 0.880 53 P CB 0.129 31.784 31.700 -0.076 0.000 0.791 54 G N -0.454 108.336 108.800 -0.016 0.000 2.348 54 G HA2 0.450 4.407 3.960 -0.006 0.000 0.312 54 G HA3 0.450 4.407 3.960 -0.006 0.000 0.312 54 G C -1.021 173.887 174.900 0.013 0.000 1.126 54 G CA -0.319 44.781 45.100 0.000 0.000 0.865 54 G HN -0.060 nan 8.290 nan 0.000 0.474 55 L N 2.719 123.994 121.223 0.087 0.000 2.315 55 L HA 0.144 4.481 4.340 -0.006 0.000 0.283 55 L C 1.503 178.490 176.870 0.195 0.000 1.089 55 L CA 0.085 55.018 54.840 0.156 0.000 0.833 55 L CB 1.483 43.740 42.059 0.329 0.000 1.170 55 L HN 0.342 nan 8.230 nan 0.000 0.442 56 V N 3.587 123.405 119.914 -0.160 0.000 2.667 56 V HA -0.087 4.029 4.120 -0.006 0.000 0.252 56 V C 0.172 176.003 176.094 -0.439 0.000 1.065 56 V CA 1.171 63.234 62.300 -0.396 0.000 1.083 56 V CB -0.648 30.648 31.823 -0.879 0.000 0.692 56 V HN 0.473 nan 8.190 nan 0.000 0.468 57 F N -0.324 119.827 119.950 0.335 0.000 2.496 57 F HA 0.791 5.314 4.527 -0.006 0.000 0.341 57 F C 0.472 176.223 175.800 -0.080 0.000 1.134 57 F CA -0.320 57.763 58.000 0.139 0.000 0.968 57 F CB 1.490 40.551 39.000 0.102 0.000 1.205 57 F HN 0.037 nan 8.300 nan 0.000 0.436 58 G N 1.739 110.281 108.800 -0.431 0.000 2.335 58 G HA2 0.500 4.456 3.960 -0.006 0.000 0.291 58 G HA3 0.500 4.456 3.960 -0.006 0.000 0.291 58 G C -2.141 172.073 174.900 -1.143 0.000 1.261 58 G CA -0.636 44.154 45.100 -0.517 0.000 0.871 58 G HN 0.979 nan 8.290 nan 0.000 0.491 59 H N -2.237 116.287 119.070 -0.910 0.000 3.014 59 H HA 0.648 5.201 4.556 -0.006 0.000 0.337 59 H C -0.102 175.108 175.328 -0.198 0.000 1.320 59 H CA -0.280 55.302 56.048 -0.776 0.000 1.128 59 H CB 1.023 30.537 29.762 -0.414 0.000 1.862 59 H HN 0.610 nan 8.280 nan 0.000 0.536 60 N N -0.050 118.732 118.700 0.138 0.000 2.238 60 N HA 0.295 5.032 4.740 -0.006 0.000 0.235 60 N C 0.780 176.447 175.510 0.261 0.000 1.209 60 N CA -0.227 52.954 53.050 0.217 0.000 0.879 60 N CB 1.214 39.952 38.487 0.418 0.000 1.136 60 N HN 1.056 nan 8.380 nan 0.000 0.517 61 G N 0.223 109.308 108.800 0.474 0.000 2.253 61 G HA2 -0.320 3.636 3.960 -0.006 0.000 0.251 61 G HA3 -0.320 3.636 3.960 -0.006 0.000 0.251 61 G C 0.610 175.766 174.900 0.427 0.000 0.998 61 G CA 0.599 45.962 45.100 0.437 0.000 0.621 61 G HN 0.252 nan 8.290 nan 0.000 0.524 62 V N 0.743 120.874 119.914 0.361 0.000 2.996 62 V HA 0.463 4.579 4.120 -0.006 0.000 0.235 62 V C 1.166 177.229 176.094 -0.052 0.000 1.205 62 V CA 1.545 63.948 62.300 0.171 0.000 1.225 62 V CB 0.275 32.181 31.823 0.138 0.000 0.995 62 V HN 0.772 nan 8.190 nan 0.000 0.484 63 I N -0.883 119.759 120.570 0.120 0.000 2.846 63 I HA 0.854 5.021 4.170 -0.006 0.000 0.307 63 I C -0.368 175.903 176.117 0.257 0.000 1.053 63 I CA -0.405 60.863 61.300 -0.053 0.000 1.050 63 I CB 2.334 40.266 38.000 -0.114 0.000 1.239 63 I HN 0.150 nan 8.210 nan 0.000 0.439 64 S N 2.609 118.378 115.700 0.115 0.000 2.599 64 S HA 0.848 5.314 4.470 -0.006 0.000 0.294 64 S C -1.338 173.276 174.600 0.024 0.000 1.094 64 S CA -0.593 57.606 58.200 -0.003 0.000 0.931 64 S CB 1.355 64.567 63.200 0.021 0.000 1.093 64 S HN 1.007 nan 8.310 nan 0.000 0.488 65 W N -0.043 121.307 121.300 0.083 0.000 3.062 65 W HA 0.913 5.569 4.660 -0.007 0.000 0.336 65 W C -0.387 176.264 176.519 0.220 0.000 1.224 65 W CA -0.748 56.669 57.345 0.120 0.000 1.159 65 W CB 0.892 30.434 29.460 0.137 0.000 1.454 65 W HN 1.088 nan 8.180 nan 0.000 0.569 66 G N 0.202 109.341 108.800 0.565 0.000 2.576 66 G HA2 0.578 4.534 3.960 -0.006 0.000 0.290 66 G HA3 0.578 4.534 3.960 -0.006 0.000 0.290 66 G C -1.926 173.418 174.900 0.742 0.000 1.442 66 G CA -0.916 44.533 45.100 0.582 0.000 0.792 66 G HN 0.632 nan 8.290 nan 0.000 0.491 67 S N -1.258 114.907 115.700 0.775 0.000 2.588 67 S HA 0.916 5.383 4.470 -0.006 0.000 0.275 67 S C -0.298 174.743 174.600 0.736 0.000 1.130 67 S CA -0.084 58.625 58.200 0.848 0.000 0.855 67 S CB 2.082 65.766 63.200 0.807 0.000 1.116 67 S HN 1.462 nan 8.310 nan 0.000 0.472 68 T N -1.058 113.937 114.554 0.735 0.000 2.864 68 T HA 0.824 5.170 4.350 -0.006 0.000 0.299 68 T C -0.499 174.487 174.700 0.476 0.000 1.166 68 T CA -0.811 61.602 62.100 0.522 0.000 1.007 68 T CB 1.269 70.430 68.868 0.490 0.000 1.219 68 T HN 0.785 nan 8.240 nan 0.000 0.506 69 A N 0.359 123.400 122.820 0.368 0.000 2.488 69 A HA 0.583 4.899 4.320 -0.006 0.000 0.249 69 A C 1.470 179.242 177.584 0.314 0.000 1.083 69 A CA 0.074 52.241 52.037 0.218 0.000 0.768 69 A CB -0.363 18.688 19.000 0.085 0.000 1.017 69 A HN 1.274 nan 8.150 nan 0.000 0.496 70 G N 0.795 109.723 108.800 0.214 0.000 2.426 70 G HA2 0.200 4.156 3.960 -0.006 0.000 0.214 70 G HA3 0.200 4.156 3.960 -0.006 0.000 0.214 70 G C 0.393 175.709 174.900 0.694 0.000 1.156 70 G CA 0.377 45.759 45.100 0.470 0.000 0.802 70 G HN 0.855 nan 8.290 nan 0.000 0.534 71 F N 0.226 120.382 119.950 0.343 0.000 3.067 71 F HA -0.159 4.365 4.527 -0.006 0.000 0.279 71 F C 1.425 177.383 175.800 0.263 0.000 0.945 71 F CA -0.031 58.022 58.000 0.090 0.000 0.948 71 F CB -1.516 37.269 39.000 -0.359 0.000 0.898 71 F HN 0.317 nan 8.300 nan 0.000 0.746 72 G N -0.245 108.912 108.800 0.594 0.000 2.522 72 G HA2 0.419 4.375 3.960 -0.006 0.000 0.304 72 G HA3 0.419 4.375 3.960 -0.006 0.000 0.304 72 G C -0.897 174.220 174.900 0.362 0.000 1.210 72 G CA -0.403 45.062 45.100 0.607 0.000 0.960 72 G HN 0.173 nan 8.290 nan 0.000 0.497 73 D N -0.113 120.422 120.400 0.226 0.000 2.380 73 D HA 0.197 4.833 4.640 -0.006 0.000 0.230 73 D C -0.047 176.403 176.300 0.251 0.000 1.154 73 D CA -0.555 53.542 54.000 0.162 0.000 0.859 73 D CB 1.194 42.019 40.800 0.043 0.000 1.045 73 D HN 0.330 nan 8.370 nan 0.000 0.495 74 D N 2.035 122.576 120.400 0.234 0.000 2.527 74 D HA 0.079 4.715 4.640 -0.006 0.000 0.224 74 D C -0.343 176.042 176.300 0.141 0.000 1.217 74 D CA -0.202 53.892 54.000 0.157 0.000 0.819 74 D CB 0.081 40.947 40.800 0.110 0.000 1.061 74 D HN 0.079 nan 8.370 nan 0.000 0.515 75 V N 0.907 120.933 119.914 0.186 0.000 2.588 75 V HA 0.468 4.584 4.120 -0.006 0.000 0.304 75 V C -0.999 175.248 176.094 0.255 0.000 1.042 75 V CA -0.671 61.758 62.300 0.214 0.000 0.877 75 V CB 2.179 34.093 31.823 0.150 0.000 0.996 75 V HN -0.002 nan 8.190 nan 0.000 0.425 76 D N 3.311 123.930 120.400 0.365 0.000 2.547 76 D HA 0.575 5.211 4.640 -0.006 0.000 0.231 76 D C -0.952 175.448 176.300 0.166 0.000 1.099 76 D CA -0.394 53.766 54.000 0.267 0.000 0.901 76 D CB 2.604 43.627 40.800 0.372 0.000 1.478 76 D HN 0.162 nan 8.370 nan 0.000 0.471 77 I N 1.040 121.632 120.570 0.037 0.000 2.412 77 I HA 0.364 4.531 4.170 -0.006 0.000 0.296 77 I C -0.498 175.582 176.117 -0.062 0.000 0.987 77 I CA -0.510 60.830 61.300 0.066 0.000 1.180 77 I CB 0.654 38.686 38.000 0.053 0.000 1.340 77 I HN 0.181 nan 8.210 nan 0.000 0.455 78 F N 3.750 123.643 119.950 -0.094 0.000 2.444 78 F HA 0.549 5.073 4.527 -0.006 0.000 0.342 78 F C 0.655 176.352 175.800 -0.171 0.000 1.121 78 F CA -0.776 57.076 58.000 -0.247 0.000 0.997 78 F CB 1.695 40.291 39.000 -0.673 0.000 1.130 78 F HN 0.497 nan 8.300 nan 0.000 0.454 79 A N 3.999 126.797 122.820 -0.036 0.000 2.415 79 A HA 0.402 4.718 4.320 -0.006 0.000 0.309 79 A C -0.046 177.451 177.584 -0.145 0.000 1.356 79 A CA -0.628 51.298 52.037 -0.185 0.000 0.998 79 A CB -0.287 18.611 19.000 -0.170 0.000 1.145 79 A HN 0.598 nan 8.150 nan 0.000 0.545 80 E N 1.548 121.648 120.200 -0.166 0.000 2.283 80 E HA 0.158 4.504 4.350 -0.006 0.000 0.278 80 E C -0.111 176.471 176.600 -0.031 0.000 1.027 80 E CA -0.471 55.892 56.400 -0.061 0.000 0.843 80 E CB 1.372 31.017 29.700 -0.091 0.000 1.062 80 E HN 0.609 nan 8.360 nan 0.000 0.401 81 R N 3.499 124.030 120.500 0.051 0.000 2.248 81 R HA 0.218 4.554 4.340 -0.006 0.000 0.337 81 R C -0.196 176.233 176.300 0.216 0.000 1.085 81 R CA -0.102 56.047 56.100 0.081 0.000 0.934 81 R CB -0.137 30.186 30.300 0.037 0.000 1.034 81 R HN 0.408 nan 8.270 nan 0.000 0.465 82 L N 1.556 122.908 121.223 0.216 0.000 2.488 82 L HA 0.477 4.813 4.340 -0.006 0.000 0.249 82 L C 0.264 177.337 176.870 0.338 0.000 1.151 82 L CA -0.860 54.158 54.840 0.295 0.000 0.806 82 L CB 1.374 43.497 42.059 0.107 0.000 1.261 82 L HN 0.526 nan 8.230 nan 0.000 0.484 83 S N -1.294 114.499 115.700 0.155 0.000 2.614 83 S HA 0.521 4.987 4.470 -0.006 0.000 0.288 83 S C 0.475 175.009 174.600 -0.108 0.000 1.137 83 S CA -0.115 58.032 58.200 -0.090 0.000 0.992 83 S CB 1.726 64.536 63.200 -0.649 0.000 1.026 83 S HN 0.670 nan 8.310 nan 0.000 0.486 84 A N 4.026 126.796 122.820 -0.083 0.000 1.948 84 A HA -0.029 4.287 4.320 -0.006 0.000 0.220 84 A C 0.533 178.055 177.584 -0.102 0.000 1.177 84 A CA 1.387 53.381 52.037 -0.072 0.000 0.636 84 A CB -0.567 18.401 19.000 -0.052 0.000 0.815 84 A HN 0.858 nan 8.150 nan 0.000 0.449 85 E N -0.490 119.615 120.200 -0.158 0.000 2.191 85 E HA 0.485 4.831 4.350 -0.006 0.000 0.278 85 E C -0.358 176.077 176.600 -0.275 0.000 0.972 85 E CA -0.472 55.819 56.400 -0.181 0.000 0.804 85 E CB 0.916 30.506 29.700 -0.183 0.000 1.110 85 E HN 0.388 nan 8.360 nan 0.000 0.394 86 K N -0.148 120.104 120.400 -0.247 0.000 3.244 86 K HA -0.089 4.227 4.320 -0.006 0.000 0.269 86 K C -2.666 173.854 176.600 -0.133 0.000 1.150 86 K CA -0.150 55.938 56.287 -0.332 0.000 0.799 86 K CB -2.011 30.117 32.500 -0.620 0.000 1.286 86 K HN 0.378 nan 8.250 nan 0.000 0.488 87 P HA 0.270 nan 4.420 nan 0.000 0.279 87 P C 0.933 178.333 177.300 0.166 0.000 1.239 87 P CA 1.316 64.439 63.100 0.038 0.000 0.789 87 P CB 1.336 33.028 31.700 -0.013 0.000 0.933 88 G N 0.119 108.951 108.800 0.053 0.000 2.159 88 G HA2 -0.210 3.746 3.960 -0.006 0.000 0.227 88 G HA3 -0.210 3.746 3.960 -0.006 0.000 0.227 88 G C -0.512 174.463 174.900 0.124 0.000 0.986 88 G CA -0.334 44.781 45.100 0.025 0.000 0.651 88 G HN 0.436 nan 8.290 nan 0.000 0.523 89 Y N -0.462 119.937 120.300 0.165 0.000 2.562 89 Y HA 0.731 5.277 4.550 -0.006 0.000 0.343 89 Y C 0.117 176.300 175.900 0.470 0.000 1.025 89 Y CA -1.137 57.134 58.100 0.285 0.000 1.082 89 Y CB 1.815 40.422 38.460 0.245 0.000 1.264 89 Y HN 0.487 nan 8.280 nan 0.000 0.478 90 Y N -0.118 120.455 120.300 0.455 0.000 2.552 90 Y HA 0.610 5.156 4.550 -0.006 0.000 0.337 90 Y C -1.971 173.941 175.900 0.020 0.000 1.094 90 Y CA -1.735 56.534 58.100 0.282 0.000 1.028 90 Y CB 0.550 39.078 38.460 0.113 0.000 1.321 90 Y HN 0.485 nan 8.280 nan 0.000 0.456 91 L N 4.256 125.247 121.223 -0.386 0.000 2.410 91 L HA 0.395 4.731 4.340 -0.006 0.000 0.273 91 L C -0.950 175.798 176.870 -0.204 0.000 1.144 91 L CA 0.594 54.996 54.840 -0.731 0.000 0.863 91 L CB -0.308 41.192 42.059 -0.932 0.000 1.140 91 L HN 0.878 nan 8.230 nan 0.000 0.463 92 H N 3.876 122.738 119.070 -0.346 0.000 3.083 92 H HA 0.312 4.864 4.556 -0.006 0.000 0.339 92 H C -0.178 175.060 175.328 -0.151 0.000 1.020 92 H CA -0.778 55.181 56.048 -0.147 0.000 1.360 92 H CB 0.520 30.226 29.762 -0.093 0.000 1.811 92 H HN 0.753 nan 8.280 nan 0.000 0.493 93 N N 3.860 122.261 118.700 -0.498 0.000 2.686 93 N HA -0.231 4.505 4.740 -0.006 0.000 0.261 93 N C 0.746 176.102 175.510 -0.256 0.000 1.001 93 N CA 0.945 53.754 53.050 -0.402 0.000 0.764 93 N CB -0.703 37.473 38.487 -0.518 0.000 0.898 93 N HN 1.132 nan 8.380 nan 0.000 0.544 94 G N -0.644 108.023 108.800 -0.222 0.000 2.155 94 G HA2 -0.360 3.597 3.960 -0.006 0.000 0.257 94 G HA3 -0.360 3.597 3.960 -0.006 0.000 0.257 94 G C -0.165 174.628 174.900 -0.178 0.000 0.983 94 G CA 1.117 46.109 45.100 -0.181 0.000 0.676 94 G HN 0.613 nan 8.290 nan 0.000 0.528 95 K N -1.731 118.534 120.400 -0.225 0.000 2.482 95 K HA 0.557 4.873 4.320 -0.006 0.000 0.257 95 K C -1.219 175.238 176.600 -0.239 0.000 0.969 95 K CA -1.241 54.960 56.287 -0.143 0.000 0.842 95 K CB 1.364 33.831 32.500 -0.054 0.000 1.359 95 K HN 0.038 nan 8.250 nan 0.000 0.441 96 W N 1.842 123.139 121.300 -0.005 0.000 2.360 96 W HA 0.312 4.968 4.660 -0.006 0.000 0.344 96 W C -0.396 176.189 176.519 0.110 0.000 1.025 96 W CA -0.518 56.851 57.345 0.040 0.000 1.480 96 W CB 0.864 30.355 29.460 0.051 0.000 1.350 96 W HN 0.119 nan 8.180 nan 0.000 0.382 97 V N 4.199 124.077 119.914 -0.059 0.000 2.607 97 V HA 0.185 4.301 4.120 -0.006 0.000 0.289 97 V C 0.624 176.487 176.094 -0.384 0.000 1.053 97 V CA -1.192 60.952 62.300 -0.260 0.000 0.996 97 V CB 1.103 32.593 31.823 -0.554 0.000 0.995 97 V HN 0.271 nan 8.190 nan 0.000 0.476 98 K N 3.338 123.486 120.400 -0.420 0.000 2.185 98 K HA 0.459 4.775 4.320 -0.006 0.000 0.271 98 K C -0.311 176.248 176.600 -0.070 0.000 1.013 98 K CA -0.464 55.444 56.287 -0.631 0.000 0.943 98 K CB 0.828 32.948 32.500 -0.633 0.000 0.998 98 K HN 0.593 nan 8.250 nan 0.000 0.468 99 M N 3.594 123.248 119.600 0.091 0.000 2.250 99 M HA 0.191 4.667 4.480 -0.006 0.000 0.344 99 M C -0.029 176.368 176.300 0.161 0.000 1.150 99 M CA -0.394 55.071 55.300 0.274 0.000 1.147 99 M CB 0.725 33.598 32.600 0.456 0.000 1.498 99 M HN 0.359 nan 8.290 nan 0.000 0.461 100 L N 1.824 123.103 121.223 0.094 0.000 2.439 100 L HA 0.303 4.639 4.340 -0.006 0.000 0.269 100 L C 0.221 177.041 176.870 -0.083 0.000 1.179 100 L CA -0.188 54.648 54.840 -0.007 0.000 0.828 100 L CB 0.558 42.597 42.059 -0.034 0.000 1.106 100 L HN 0.799 nan 8.230 nan 0.000 0.467 101 S N 2.541 118.088 115.700 -0.255 0.000 2.588 101 S HA 0.839 5.305 4.470 -0.006 0.000 0.275 101 S C -0.943 173.405 174.600 -0.419 0.000 1.130 101 S CA -1.089 56.774 58.200 -0.563 0.000 0.855 101 S CB 2.768 65.265 63.200 -1.172 0.000 1.116 101 S HN 0.793 nan 8.310 nan 0.000 0.472 102 R N 0.569 120.802 120.500 -0.445 0.000 2.668 102 R HA 0.561 4.898 4.340 -0.006 0.000 0.272 102 R C -1.612 174.465 176.300 -0.371 0.000 1.019 102 R CA -0.679 55.228 56.100 -0.321 0.000 0.894 102 R CB 1.546 31.706 30.300 -0.234 0.000 1.228 102 R HN 0.727 nan 8.270 nan 0.000 0.460 103 E N 1.491 121.506 120.200 -0.309 0.000 2.231 103 E HA 0.215 4.561 4.350 -0.006 0.000 0.277 103 E C -0.875 175.513 176.600 -0.354 0.000 0.999 103 E CA -0.675 55.529 56.400 -0.328 0.000 0.827 103 E CB 1.553 31.122 29.700 -0.220 0.000 1.101 103 E HN 0.400 nan 8.360 nan 0.000 0.393 104 E N 1.526 121.418 120.200 -0.514 0.000 2.266 104 E HA 0.335 4.681 4.350 -0.006 0.000 0.268 104 E C -1.134 175.311 176.600 -0.259 0.000 0.879 104 E CA -0.610 55.519 56.400 -0.452 0.000 0.762 104 E CB 2.328 31.625 29.700 -0.672 0.000 1.199 104 E HN 0.301 nan 8.360 nan 0.000 0.422 105 T N 2.687 117.181 114.554 -0.099 0.000 2.792 105 T HA 0.418 4.764 4.350 -0.006 0.000 0.280 105 T C -0.049 174.680 174.700 0.048 0.000 0.990 105 T CA -0.622 61.475 62.100 -0.005 0.000 0.960 105 T CB 0.564 69.422 68.868 -0.016 0.000 0.939 105 T HN 0.172 nan 8.240 nan 0.000 0.439 106 I N 3.635 124.269 120.570 0.107 0.000 2.304 106 I HA 0.283 4.449 4.170 -0.006 0.000 0.291 106 I C 0.883 177.031 176.117 0.052 0.000 1.018 106 I CA -0.661 60.697 61.300 0.096 0.000 1.260 106 I CB 0.583 38.656 38.000 0.120 0.000 1.390 106 I HN 0.536 nan 8.210 nan 0.000 0.475 107 T N 6.036 120.608 114.554 0.030 0.000 2.856 107 T HA 0.538 4.884 4.350 -0.006 0.000 0.292 107 T C 0.110 174.820 174.700 0.016 0.000 0.980 107 T CA -0.356 61.755 62.100 0.019 0.000 1.091 107 T CB 1.489 70.362 68.868 0.008 0.000 0.936 107 T HN 0.268 nan 8.240 nan 0.000 0.503 108 V N 3.957 123.880 119.914 0.015 0.000 2.407 108 V HA 0.366 4.482 4.120 -0.006 0.000 0.291 108 V C 0.092 176.192 176.094 0.009 0.000 1.018 108 V CA -1.234 61.074 62.300 0.012 0.000 0.842 108 V CB 1.571 33.403 31.823 0.015 0.000 0.996 108 V HN 0.753 nan 8.190 nan 0.000 0.426 109 K N 4.572 124.976 120.400 0.007 0.000 2.472 109 K HA 0.039 4.355 4.320 -0.006 0.000 0.280 109 K C 0.530 177.134 176.600 0.008 0.000 1.028 109 K CA 0.949 57.240 56.287 0.006 0.000 1.045 109 K CB -0.801 31.702 32.500 0.005 0.000 0.902 109 K HN 0.727 nan 8.250 nan 0.000 0.478 110 N N 1.741 120.446 118.700 0.008 0.000 2.727 110 N HA -0.228 4.508 4.740 -0.006 0.000 0.249 110 N C -0.318 175.198 175.510 0.010 0.000 1.048 110 N CA 0.768 53.823 53.050 0.009 0.000 0.714 110 N CB -0.875 37.617 38.487 0.009 0.000 0.959 110 N HN 0.799 nan 8.380 nan 0.000 0.544 111 G N -0.779 108.027 108.800 0.011 0.000 2.788 111 G HA2 0.525 4.482 3.960 -0.006 0.000 0.293 111 G HA3 0.525 4.482 3.960 -0.006 0.000 0.293 111 G C -1.585 173.323 174.900 0.013 0.000 1.392 111 G CA -0.645 44.462 45.100 0.012 0.000 0.810 111 G HN 0.112 nan 8.290 nan 0.000 0.508 112 Q N -0.394 119.416 119.800 0.016 0.000 2.259 112 Q HA 0.607 4.943 4.340 -0.006 0.000 0.246 112 Q C 0.345 176.359 176.000 0.023 0.000 0.920 112 Q CA -0.524 55.290 55.803 0.018 0.000 0.895 112 Q CB 1.447 30.196 28.738 0.019 0.000 1.220 112 Q HN 0.784 nan 8.270 nan 0.000 0.439 113 A N 3.341 126.175 122.820 0.024 0.000 2.386 113 A HA 0.248 4.564 4.320 -0.006 0.000 0.248 113 A C -0.597 177.014 177.584 0.045 0.000 1.082 113 A CA -0.080 51.977 52.037 0.032 0.000 0.789 113 A CB 0.496 19.511 19.000 0.026 0.000 1.025 113 A HN 0.793 nan 8.150 nan 0.000 0.490 114 E N -0.011 120.229 120.200 0.067 0.000 2.234 114 E HA 0.490 4.836 4.350 -0.006 0.000 0.266 114 E C -0.800 175.892 176.600 0.153 0.000 0.877 114 E CA -0.517 55.942 56.400 0.098 0.000 0.758 114 E CB 2.078 31.834 29.700 0.095 0.000 1.170 114 E HN 0.745 nan 8.360 nan 0.000 0.415 115 T N 0.600 115.245 114.554 0.151 0.000 2.863 115 T HA 0.747 5.093 4.350 -0.006 0.000 0.285 115 T C -0.763 174.079 174.700 0.235 0.000 1.009 115 T CA -0.651 61.531 62.100 0.136 0.000 0.989 115 T CB 0.643 69.522 68.868 0.019 0.000 1.004 115 T HN 0.432 nan 8.240 nan 0.000 0.455 116 F N -0.629 119.324 119.950 0.004 0.000 2.745 116 F HA 0.829 5.352 4.527 -0.006 0.000 0.316 116 F C -1.151 174.642 175.800 -0.012 0.000 1.155 116 F CA -1.058 56.953 58.000 0.019 0.000 0.937 116 F CB 1.099 40.120 39.000 0.034 0.000 1.361 116 F HN 0.573 nan 8.300 nan 0.000 0.472 117 T N 1.705 116.232 114.554 -0.045 0.000 2.856 117 T HA 0.664 5.010 4.350 -0.006 0.000 0.283 117 T C -1.093 173.526 174.700 -0.135 0.000 1.008 117 T CA -0.617 61.331 62.100 -0.254 0.000 0.997 117 T CB 1.839 70.589 68.868 -0.197 0.000 0.992 117 T HN 0.590 nan 8.240 nan 0.000 0.454 118 V N 2.727 122.457 119.914 -0.307 0.000 2.435 118 V HA 0.524 4.640 4.120 -0.006 0.000 0.290 118 V C -0.999 174.932 176.094 -0.272 0.000 1.030 118 V CA -0.963 61.277 62.300 -0.101 0.000 0.881 118 V CB 1.190 32.994 31.823 -0.032 0.000 0.983 118 V HN 0.841 nan 8.190 nan 0.000 0.445 119 W N 3.611 124.923 121.300 0.020 0.000 2.606 119 W HA 0.817 5.473 4.660 -0.006 0.000 0.332 119 W C 0.147 176.647 176.519 -0.031 0.000 1.052 119 W CA -0.592 56.749 57.345 -0.007 0.000 1.223 119 W CB 1.565 31.028 29.460 0.005 0.000 1.383 119 W HN 0.429 nan 8.180 nan 0.000 0.524 120 R N 1.322 121.929 120.500 0.179 0.000 2.604 120 R HA 0.584 4.920 4.340 -0.006 0.000 0.281 120 R C -0.332 175.952 176.300 -0.028 0.000 1.020 120 R CA -0.336 55.788 56.100 0.039 0.000 0.899 120 R CB 1.651 31.947 30.300 -0.008 0.000 1.205 120 R HN 0.606 nan 8.270 nan 0.000 0.450 121 T N -0.948 113.507 114.554 -0.166 0.000 2.844 121 T HA 0.183 4.529 4.350 -0.006 0.000 0.274 121 T C 0.891 175.427 174.700 -0.274 0.000 0.991 121 T CA -0.427 61.464 62.100 -0.348 0.000 0.983 121 T CB 1.009 69.378 68.868 -0.832 0.000 1.310 121 T HN 0.272 nan 8.240 nan 0.000 0.596 122 V N 0.598 120.305 119.914 -0.344 0.000 2.720 122 V HA -0.125 3.991 4.120 -0.006 0.000 0.256 122 V C 2.147 177.848 176.094 -0.655 0.000 1.082 122 V CA 1.644 63.669 62.300 -0.459 0.000 1.101 122 V CB -1.278 30.210 31.823 -0.558 0.000 0.693 122 V HN 0.837 nan 8.190 nan 0.000 0.479 123 H N -0.104 118.682 119.070 -0.473 0.000 2.497 123 H HA 0.423 4.975 4.556 -0.006 0.000 0.282 123 H C 1.065 176.171 175.328 -0.370 0.000 1.003 123 H CA 1.002 56.703 56.048 -0.579 0.000 1.307 123 H CB 0.600 29.928 29.762 -0.723 0.000 1.437 123 H HN 0.582 nan 8.280 nan 0.000 0.544 124 G N 0.244 108.943 108.800 -0.168 0.000 2.362 124 G HA2 -0.126 3.830 3.960 -0.006 0.000 0.288 124 G HA3 -0.126 3.830 3.960 -0.006 0.000 0.288 124 G C -1.389 173.474 174.900 -0.062 0.000 1.305 124 G CA -1.035 43.996 45.100 -0.115 0.000 0.910 124 G HN 0.075 nan 8.290 nan 0.000 0.518 125 N N 0.116 118.803 118.700 -0.022 0.000 2.441 125 N HA 0.307 5.043 4.740 -0.006 0.000 0.251 125 N C 0.585 176.128 175.510 0.055 0.000 1.242 125 N CA -0.185 52.883 53.050 0.031 0.000 0.898 125 N CB 0.398 38.917 38.487 0.052 0.000 1.100 125 N HN 0.423 nan 8.380 nan 0.000 0.443 126 I N 2.918 123.546 120.570 0.096 0.000 2.396 126 I HA 0.006 4.172 4.170 -0.006 0.000 0.289 126 I C 1.554 177.750 176.117 0.132 0.000 1.056 126 I CA 0.026 61.389 61.300 0.105 0.000 1.365 126 I CB 0.247 38.318 38.000 0.118 0.000 1.407 126 I HN 0.517 nan 8.210 nan 0.000 0.509 127 L N 5.789 127.092 121.223 0.133 0.000 2.034 127 L HA -0.071 4.265 4.340 -0.006 0.000 0.203 127 L C 0.877 177.829 176.870 0.137 0.000 1.074 127 L CA 1.209 56.126 54.840 0.129 0.000 0.748 127 L CB 0.086 42.216 42.059 0.119 0.000 0.905 127 L HN 0.719 nan 8.230 nan 0.000 0.439 128 Q N -1.847 118.059 119.800 0.175 0.000 2.534 128 Q HA 0.516 4.852 4.340 -0.006 0.000 0.290 128 Q C -1.192 174.926 176.000 0.197 0.000 0.991 128 Q CA -0.905 55.003 55.803 0.175 0.000 0.783 128 Q CB 1.816 30.653 28.738 0.166 0.000 1.470 128 Q HN 0.034 nan 8.270 nan 0.000 0.406 129 T N -2.034 112.597 114.554 0.127 0.000 2.900 129 T HA 0.507 4.854 4.350 -0.006 0.000 0.295 129 T C -1.253 173.489 174.700 0.070 0.000 1.044 129 T CA -0.727 61.406 62.100 0.055 0.000 0.995 129 T CB 1.827 70.685 68.868 -0.016 0.000 1.072 129 T HN 0.585 nan 8.240 nan 0.000 0.473 130 D N 0.917 121.335 120.400 0.031 0.000 2.464 130 D HA 0.290 4.926 4.640 -0.006 0.000 0.243 130 D C 0.967 177.273 176.300 0.010 0.000 1.104 130 D CA -0.479 53.549 54.000 0.046 0.000 0.883 130 D CB 1.598 42.445 40.800 0.079 0.000 1.050 130 D HN 0.609 nan 8.370 nan 0.000 0.524 131 Q N 0.802 120.610 119.800 0.013 0.000 2.124 131 Q HA -0.133 4.204 4.340 -0.006 0.000 0.202 131 Q C 2.035 178.040 176.000 0.008 0.000 0.977 131 Q CA 2.110 57.914 55.803 0.003 0.000 0.850 131 Q CB -0.030 28.710 28.738 0.004 0.000 0.901 131 Q HN 0.693 nan 8.270 nan 0.000 0.429 132 T N -1.259 113.305 114.554 0.017 0.000 2.665 132 T HA -0.212 4.134 4.350 -0.006 0.000 0.268 132 T C 1.979 176.689 174.700 0.017 0.000 1.035 132 T CA 1.847 63.959 62.100 0.018 0.000 1.151 132 T CB -0.814 68.069 68.868 0.025 0.000 0.862 132 T HN 0.448 nan 8.240 nan 0.000 0.438 133 T N -1.594 112.970 114.554 0.017 0.000 3.107 133 T HA 0.173 4.519 4.350 -0.006 0.000 0.249 133 T C 0.527 175.230 174.700 0.004 0.000 1.096 133 T CA -0.018 62.089 62.100 0.012 0.000 1.012 133 T CB -0.334 68.540 68.868 0.011 0.000 0.977 133 T HN 0.452 nan 8.240 nan 0.000 0.527 134 Q N 1.141 120.942 119.800 0.001 0.000 2.452 134 Q HA -0.121 4.216 4.340 -0.006 0.000 0.318 134 Q C -0.834 175.157 176.000 -0.016 0.000 1.386 134 Q CA 0.898 56.703 55.803 0.003 0.000 0.872 134 Q CB -2.679 26.078 28.738 0.033 0.000 1.151 134 Q HN 0.649 nan 8.270 nan 0.000 0.417 135 T N -0.233 114.276 114.554 -0.075 0.000 2.861 135 T HA 0.768 5.115 4.350 -0.006 0.000 0.287 135 T C -0.417 174.135 174.700 -0.246 0.000 1.003 135 T CA -0.031 61.958 62.100 -0.186 0.000 0.977 135 T CB 2.015 70.724 68.868 -0.265 0.000 0.996 135 T HN 0.403 nan 8.240 nan 0.000 0.448 136 A N 2.446 125.094 122.820 -0.286 0.000 2.371 136 A HA 0.783 5.099 4.320 -0.006 0.000 0.311 136 A C -1.664 175.739 177.584 -0.302 0.000 1.068 136 A CA -0.733 51.173 52.037 -0.219 0.000 0.744 136 A CB 0.861 19.784 19.000 -0.129 0.000 1.239 136 A HN 0.809 nan 8.150 nan 0.000 0.435 137 Y N 0.975 121.272 120.300 -0.005 0.000 2.328 137 Y HA 0.542 5.088 4.550 -0.006 0.000 0.337 137 Y C 0.715 176.616 175.900 0.001 0.000 1.008 137 Y CA -0.068 58.032 58.100 -0.001 0.000 1.129 137 Y CB 1.841 40.308 38.460 0.012 0.000 1.185 137 Y HN 0.811 nan 8.280 nan 0.000 0.476 138 A N 4.094 126.991 122.820 0.129 0.000 2.292 138 A HA 0.506 4.822 4.320 -0.006 0.000 0.319 138 A C -0.498 177.155 177.584 0.115 0.000 1.206 138 A CA -1.006 51.078 52.037 0.077 0.000 0.835 138 A CB 0.581 19.580 19.000 -0.002 0.000 1.164 138 A HN 0.751 nan 8.150 nan 0.000 0.505 139 K N 1.917 122.365 120.400 0.080 0.000 2.276 139 K HA 0.360 4.676 4.320 -0.006 0.000 0.285 139 K C -0.238 176.376 176.600 0.023 0.000 1.062 139 K CA 0.063 56.393 56.287 0.071 0.000 0.918 139 K CB 0.542 33.074 32.500 0.054 0.000 1.055 139 K HN 0.604 nan 8.250 nan 0.000 0.477 140 S N 4.821 120.557 115.700 0.059 0.000 2.474 140 S HA 0.429 4.896 4.470 -0.006 0.000 0.321 140 S C -0.849 173.788 174.600 0.062 0.000 1.080 140 S CA -0.959 57.214 58.200 -0.044 0.000 1.106 140 S CB 0.566 63.651 63.200 -0.193 0.000 0.984 140 S HN 0.673 nan 8.310 nan 0.000 0.464 141 R N 2.916 123.334 120.500 -0.138 0.000 2.368 141 R HA 0.610 4.946 4.340 -0.006 0.000 0.302 141 R C 1.205 177.436 176.300 -0.114 0.000 1.002 141 R CA -0.209 55.674 56.100 -0.362 0.000 0.929 141 R CB 1.011 30.502 30.300 -1.347 0.000 1.073 141 R HN 0.710 nan 8.270 nan 0.000 0.464 142 A N 3.504 126.296 122.820 -0.047 0.000 2.067 142 A HA -0.085 4.231 4.320 -0.006 0.000 0.219 142 A C 0.992 178.558 177.584 -0.029 0.000 1.158 142 A CA 0.624 52.650 52.037 -0.019 0.000 0.661 142 A CB -0.368 18.484 19.000 -0.247 0.000 0.801 142 A HN 0.953 nan 8.150 nan 0.000 0.452 143 W N -0.506 120.791 121.300 -0.004 0.000 3.290 143 W HA 0.240 4.897 4.660 -0.006 0.000 0.287 143 W C -0.461 176.055 176.519 -0.005 0.000 1.288 143 W CA -0.354 56.964 57.345 -0.045 0.000 1.725 143 W CB -0.898 28.516 29.460 -0.076 0.000 1.103 143 W HN 0.262 nan 8.180 nan 0.000 0.670 144 D N 1.669 122.017 120.400 -0.087 0.000 2.472 144 D HA 0.221 4.857 4.640 -0.006 0.000 0.248 144 D C 1.479 177.806 176.300 0.046 0.000 1.174 144 D CA 2.287 56.248 54.000 -0.066 0.000 0.883 144 D CB 0.484 41.172 40.800 -0.186 0.000 1.149 144 D HN 0.341 nan 8.370 nan 0.000 0.488 145 G N 3.768 112.619 108.800 0.086 0.000 2.176 145 G HA2 -0.266 3.690 3.960 -0.006 0.000 0.232 145 G HA3 -0.266 3.690 3.960 -0.006 0.000 0.232 145 G C 0.707 175.646 174.900 0.065 0.000 0.986 145 G CA 0.400 45.532 45.100 0.054 0.000 0.643 145 G HN 0.577 nan 8.290 nan 0.000 0.522 146 K N -0.463 120.004 120.400 0.112 0.000 2.589 146 K HA 0.312 4.628 4.320 -0.006 0.000 0.198 146 K C 1.279 177.918 176.600 0.065 0.000 1.114 146 K CA 0.134 56.463 56.287 0.070 0.000 1.070 146 K CB 0.681 33.208 32.500 0.046 0.000 0.860 146 K HN 0.201 nan 8.250 nan 0.000 0.536 147 E N 0.957 121.217 120.200 0.100 0.000 2.038 147 E HA -0.172 4.174 4.350 -0.006 0.000 0.195 147 E C 1.761 178.349 176.600 -0.020 0.000 1.000 147 E CA 1.547 57.965 56.400 0.029 0.000 0.803 147 E CB -0.117 29.622 29.700 0.064 0.000 0.750 147 E HN -0.008 nan 8.360 nan 0.000 0.448 148 V N 0.813 120.722 119.914 -0.008 0.000 2.427 148 V HA -0.230 3.886 4.120 -0.006 0.000 0.248 148 V C 2.168 178.248 176.094 -0.023 0.000 1.051 148 V CA 1.709 63.994 62.300 -0.024 0.000 1.048 148 V CB -0.785 31.028 31.823 -0.016 0.000 0.666 148 V HN 0.361 nan 8.190 nan 0.000 0.456 149 A N -0.562 122.247 122.820 -0.018 0.000 2.015 149 A HA -0.170 4.146 4.320 -0.006 0.000 0.219 149 A C 2.466 180.028 177.584 -0.037 0.000 1.163 149 A CA 2.029 54.051 52.037 -0.025 0.000 0.646 149 A CB -0.506 18.472 19.000 -0.036 0.000 0.806 149 A HN 0.500 nan 8.150 nan 0.000 0.448 150 S N -0.537 115.138 115.700 -0.042 0.000 2.387 150 S HA -0.064 4.402 4.470 -0.006 0.000 0.226 150 S C 1.854 176.506 174.600 0.088 0.000 1.026 150 S CA 1.050 59.229 58.200 -0.036 0.000 0.972 150 S CB -0.412 62.752 63.200 -0.059 0.000 0.814 150 S HN 0.589 nan 8.310 nan 0.000 0.477 151 L N 1.302 122.548 121.223 0.038 0.000 2.012 151 L HA -0.119 4.218 4.340 -0.006 0.000 0.210 151 L C 1.984 178.877 176.870 0.039 0.000 1.073 151 L CA 1.478 56.327 54.840 0.014 0.000 0.748 151 L CB -0.258 41.749 42.059 -0.088 0.000 0.891 151 L HN 0.308 nan 8.230 nan 0.000 0.431 152 L N -0.456 120.765 121.223 -0.003 0.000 2.093 152 L HA -0.142 4.194 4.340 -0.006 0.000 0.208 152 L C 2.821 179.694 176.870 0.004 0.000 1.085 152 L CA 0.954 55.768 54.840 -0.044 0.000 0.755 152 L CB -0.717 41.329 42.059 -0.021 0.000 0.904 152 L HN 0.336 nan 8.230 nan 0.000 0.435 153 A N -0.774 122.072 122.820 0.044 0.000 1.933 153 A HA -0.243 4.073 4.320 -0.006 0.000 0.218 153 A C 2.106 179.765 177.584 0.125 0.000 1.175 153 A CA 1.141 53.202 52.037 0.039 0.000 0.628 153 A CB -0.819 18.112 19.000 -0.116 0.000 0.814 153 A HN 0.568 nan 8.150 nan 0.000 0.444 154 W N 1.064 122.398 121.300 0.056 0.000 2.425 154 W HA -0.068 4.588 4.660 -0.007 0.000 0.277 154 W C 1.957 178.396 176.519 -0.134 0.000 1.231 154 W CA 1.798 59.150 57.345 0.011 0.000 1.248 154 W CB -0.725 28.750 29.460 0.024 0.000 1.117 154 W HN 0.406 nan 8.180 nan 0.000 0.568 155 T N -1.473 113.141 114.554 0.100 0.000 2.770 155 T HA -0.147 4.200 4.350 -0.006 0.000 0.258 155 T C 1.522 176.235 174.700 0.022 0.000 1.039 155 T CA 1.218 63.305 62.100 -0.021 0.000 1.143 155 T CB -0.542 68.241 68.868 -0.142 0.000 0.866 155 T HN 0.009 nan 8.240 nan 0.000 0.428 156 H N 2.057 121.178 119.070 0.085 0.000 2.421 156 H HA -0.078 4.474 4.556 -0.007 0.000 0.298 156 H C 2.541 177.848 175.328 -0.035 0.000 1.087 156 H CA 1.697 57.771 56.048 0.042 0.000 1.330 156 H CB -0.363 29.390 29.762 -0.015 0.000 1.388 156 H HN 0.587 nan 8.280 nan 0.000 0.526 157 Q N 0.226 120.033 119.800 0.013 0.000 2.234 157 Q HA -0.119 4.217 4.340 -0.006 0.000 0.206 157 Q C 2.000 177.853 176.000 -0.246 0.000 0.980 157 Q CA 1.493 57.221 55.803 -0.126 0.000 0.869 157 Q CB -0.505 28.031 28.738 -0.337 0.000 0.912 157 Q HN 0.357 nan 8.270 nan 0.000 0.436 158 M N 0.366 119.767 119.600 -0.330 0.000 2.358 158 M HA -0.087 4.389 4.480 -0.006 0.000 0.264 158 M C 1.409 177.729 176.300 0.034 0.000 1.064 158 M CA 1.456 56.536 55.300 -0.366 0.000 1.093 158 M CB -0.172 32.440 32.600 0.019 0.000 1.401 158 M HN 0.212 nan 8.290 nan 0.000 0.440 159 K N 0.371 120.795 120.400 0.041 0.000 2.400 159 K HA 0.241 4.557 4.320 -0.006 0.000 0.194 159 K C 0.704 177.351 176.600 0.077 0.000 1.033 159 K CA -0.081 56.217 56.287 0.018 0.000 1.021 159 K CB 0.094 32.521 32.500 -0.121 0.000 0.808 159 K HN 0.211 nan 8.250 nan 0.000 0.505 160 A N 1.889 124.787 122.820 0.130 0.000 2.483 160 A HA 0.026 4.342 4.320 -0.006 0.000 0.238 160 A C 0.572 178.293 177.584 0.229 0.000 1.070 160 A CA 0.301 52.454 52.037 0.193 0.000 0.770 160 A CB 0.323 19.515 19.000 0.319 0.000 1.008 160 A HN 0.165 nan 8.150 nan 0.000 0.497 161 K N 0.546 121.068 120.400 0.204 0.000 2.438 161 K HA 0.115 4.431 4.320 -0.006 0.000 0.206 161 K C -0.042 176.694 176.600 0.226 0.000 1.081 161 K CA 0.277 56.677 56.287 0.189 0.000 1.053 161 K CB 0.207 32.785 32.500 0.131 0.000 0.908 161 K HN 0.948 nan 8.250 nan 0.000 0.556 162 N N -2.045 116.833 118.700 0.297 0.000 3.277 162 N HA 0.024 4.760 4.740 -0.006 0.000 0.278 162 N C 0.009 175.761 175.510 0.402 0.000 1.544 162 N CA -0.820 52.449 53.050 0.365 0.000 0.869 162 N CB 0.180 38.808 38.487 0.235 0.000 1.584 162 N HN -0.062 nan 8.380 nan 0.000 0.564 163 W N 0.959 122.250 121.300 -0.016 0.000 2.355 163 W HA -0.180 4.476 4.660 -0.006 0.000 0.309 163 W C 1.480 177.957 176.519 -0.070 0.000 1.206 163 W CA 2.077 59.224 57.345 -0.329 0.000 1.284 163 W CB 0.014 29.065 29.460 -0.681 0.000 1.145 163 W HN 0.682 nan 8.180 nan 0.000 0.502 164 Q N 0.377 120.182 119.800 0.008 0.000 2.096 164 Q HA -0.274 4.063 4.340 -0.006 0.000 0.204 164 Q C 2.272 178.226 176.000 -0.077 0.000 0.982 164 Q CA 2.158 57.913 55.803 -0.079 0.000 0.850 164 Q CB -0.680 28.066 28.738 0.014 0.000 0.901 164 Q HN 0.450 nan 8.270 nan 0.000 0.422 165 Q N -0.775 119.042 119.800 0.027 0.000 2.123 165 Q HA -0.166 4.170 4.340 -0.006 0.000 0.199 165 Q C 1.664 177.685 176.000 0.036 0.000 0.966 165 Q CA 1.102 56.920 55.803 0.024 0.000 0.845 165 Q CB -0.193 28.594 28.738 0.082 0.000 0.907 165 Q HN 0.474 nan 8.270 nan 0.000 0.439 166 W N 1.323 122.571 121.300 -0.087 0.000 2.388 166 W HA -0.160 4.496 4.660 -0.007 0.000 0.294 166 W C 2.188 178.578 176.519 -0.215 0.000 1.212 166 W CA 2.112 59.420 57.345 -0.062 0.000 1.271 166 W CB -0.125 29.422 29.460 0.144 0.000 1.126 166 W HN 0.126 nan 8.180 nan 0.000 0.535 167 T N -1.677 112.666 114.554 -0.351 0.000 2.995 167 T HA -0.173 4.174 4.350 -0.006 0.000 0.269 167 T C 1.512 175.860 174.700 -0.586 0.000 1.091 167 T CA 1.399 63.150 62.100 -0.581 0.000 1.128 167 T CB -0.453 68.042 68.868 -0.621 0.000 0.891 167 T HN 0.340 nan 8.240 nan 0.000 0.492 168 Q N 0.341 119.889 119.800 -0.420 0.000 2.170 168 Q HA -0.082 4.254 4.340 -0.006 0.000 0.203 168 Q C 2.518 178.253 176.000 -0.442 0.000 0.976 168 Q CA 1.118 56.679 55.803 -0.404 0.000 0.858 168 Q CB -0.071 28.514 28.738 -0.256 0.000 0.907 168 Q HN 0.523 nan 8.270 nan 0.000 0.433 169 Q N -0.636 118.918 119.800 -0.410 0.000 2.269 169 Q HA 0.054 4.390 4.340 -0.006 0.000 0.201 169 Q C 1.938 177.595 176.000 -0.572 0.000 0.946 169 Q CA 1.022 56.608 55.803 -0.361 0.000 0.877 169 Q CB -0.058 28.563 28.738 -0.194 0.000 0.963 169 Q HN 0.331 nan 8.270 nan 0.000 0.472 170 A N 1.243 123.589 122.820 -0.790 0.000 1.969 170 A HA -0.005 4.311 4.320 -0.006 0.000 0.218 170 A C 2.230 179.204 177.584 -1.018 0.000 1.169 170 A CA 1.526 52.870 52.037 -1.155 0.000 0.635 170 A CB -0.482 17.926 19.000 -0.987 0.000 0.810 170 A HN 0.312 nan 8.150 nan 0.000 0.445 171 A N -0.612 121.528 122.820 -1.133 0.000 2.172 171 A HA -0.064 4.253 4.320 -0.006 0.000 0.216 171 A C 1.921 179.112 177.584 -0.654 0.000 1.154 171 A CA 1.436 52.738 52.037 -1.225 0.000 0.701 171 A CB -0.256 17.852 19.000 -1.487 0.000 0.789 171 A HN 0.516 nan 8.150 nan 0.000 0.465 172 K N -0.848 119.219 120.400 -0.555 0.000 2.354 172 K HA 0.076 4.392 4.320 -0.006 0.000 0.194 172 K C 0.508 176.876 176.600 -0.387 0.000 1.038 172 K CA -0.161 55.900 56.287 -0.377 0.000 1.052 172 K CB 0.298 32.628 32.500 -0.284 0.000 0.861 172 K HN 0.312 nan 8.250 nan 0.000 0.535 173 Q N 0.997 120.443 119.800 -0.591 0.000 2.296 173 Q HA 0.162 4.498 4.340 -0.006 0.000 0.263 173 Q C 0.043 175.751 176.000 -0.487 0.000 1.026 173 Q CA 0.041 55.475 55.803 -0.616 0.000 0.912 173 Q CB 1.456 29.500 28.738 -1.157 0.000 1.198 173 Q HN 0.208 nan 8.270 nan 0.000 0.407 174 A N 5.450 128.080 122.820 -0.317 0.000 2.308 174 A HA 0.233 4.549 4.320 -0.006 0.000 0.217 174 A C 0.574 178.018 177.584 -0.233 0.000 1.216 174 A CA -0.089 51.811 52.037 -0.229 0.000 0.864 174 A CB 0.332 19.282 19.000 -0.083 0.000 0.902 174 A HN 0.651 nan 8.150 nan 0.000 0.499 175 L N -0.747 120.291 121.223 -0.308 0.000 2.439 175 L HA 0.291 4.627 4.340 -0.006 0.000 0.259 175 L C 0.830 177.552 176.870 -0.248 0.000 1.129 175 L CA -0.465 54.167 54.840 -0.346 0.000 0.803 175 L CB 0.904 42.747 42.059 -0.360 0.000 1.161 175 L HN 0.058 nan 8.230 nan 0.000 0.462 176 T N 3.538 118.006 114.554 -0.143 0.000 2.855 176 T HA 0.406 4.752 4.350 -0.006 0.000 0.290 176 T C -0.418 174.245 174.700 -0.060 0.000 0.941 176 T CA -0.329 61.743 62.100 -0.045 0.000 1.030 176 T CB -0.834 68.143 68.868 0.182 0.000 0.935 176 T HN 0.219 nan 8.240 nan 0.000 0.564 177 I N 4.474 124.969 120.570 -0.125 0.000 2.619 177 I HA 0.396 4.563 4.170 -0.006 0.000 0.292 177 I C -0.149 175.977 176.117 0.015 0.000 1.100 177 I CA -1.194 60.129 61.300 0.039 0.000 1.043 177 I CB 2.010 40.087 38.000 0.128 0.000 1.239 177 I HN 0.473 nan 8.210 nan 0.000 0.420 178 N N 3.976 122.851 118.700 0.291 0.000 2.514 178 N HA 0.273 5.009 4.740 -0.006 0.000 0.277 178 N C -1.178 174.607 175.510 0.459 0.000 1.126 178 N CA -0.050 53.199 53.050 0.332 0.000 0.978 178 N CB 1.462 40.316 38.487 0.612 0.000 1.106 178 N HN 0.393 nan 8.380 nan 0.000 0.461 179 W N 1.924 123.174 121.300 -0.083 0.000 2.736 179 W HA 0.410 5.066 4.660 -0.007 0.000 0.335 179 W C -0.777 175.832 176.519 0.150 0.000 1.059 179 W CA -0.539 56.892 57.345 0.142 0.000 1.226 179 W CB 0.496 29.987 29.460 0.052 0.000 1.416 179 W HN 0.355 nan 8.180 nan 0.000 0.505 180 Y N 2.071 122.882 120.300 0.851 0.000 2.499 180 Y HA 0.442 4.988 4.550 -0.007 0.000 0.347 180 Y C -0.922 175.203 175.900 0.376 0.000 0.987 180 Y CA -1.533 56.957 58.100 0.649 0.000 1.044 180 Y CB 1.994 40.729 38.460 0.460 0.000 1.245 180 Y HN 0.315 nan 8.280 nan 0.000 0.461 181 Y N 1.433 121.835 120.300 0.171 0.000 2.425 181 Y HA 0.859 5.405 4.550 -0.007 0.000 0.344 181 Y C -1.058 174.869 175.900 0.044 0.000 0.969 181 Y CA -0.920 57.053 58.100 -0.212 0.000 1.052 181 Y CB 1.393 39.635 38.460 -0.364 0.000 1.215 181 Y HN 0.768 nan 8.280 nan 0.000 0.451 182 A N 4.134 126.672 122.820 -0.470 0.000 2.556 182 A HA 0.737 5.053 4.320 -0.006 0.000 0.294 182 A C -1.800 175.366 177.584 -0.697 0.000 1.091 182 A CA -0.433 51.431 52.037 -0.288 0.000 0.704 182 A CB 1.582 20.619 19.000 0.062 0.000 1.300 182 A HN 0.798 nan 8.150 nan 0.000 0.406 183 D N -1.337 118.672 120.400 -0.651 0.000 2.610 183 D HA 0.422 5.059 4.640 -0.006 0.000 0.271 183 D C 0.639 176.196 176.300 -1.239 0.000 1.174 183 D CA 0.107 53.481 54.000 -1.043 0.000 0.949 183 D CB 0.378 40.918 40.800 -0.434 0.000 1.430 183 D HN 0.563 nan 8.370 nan 0.000 0.467 184 V N -0.688 118.584 119.914 -1.069 0.000 2.720 184 V HA -0.107 4.009 4.120 -0.006 0.000 0.256 184 V C 1.144 177.140 176.094 -0.164 0.000 1.082 184 V CA 1.239 63.257 62.300 -0.470 0.000 1.101 184 V CB -1.007 30.751 31.823 -0.108 0.000 0.693 184 V HN 0.544 nan 8.190 nan 0.000 0.479 185 N N 0.749 119.358 118.700 -0.152 0.000 2.336 185 N HA 0.171 4.908 4.740 -0.006 0.000 0.189 185 N C 1.613 177.096 175.510 -0.045 0.000 1.113 185 N CA 1.001 54.020 53.050 -0.052 0.000 0.858 185 N CB 0.965 39.445 38.487 -0.011 0.000 0.970 185 N HN 0.698 nan 8.380 nan 0.000 0.471 186 G N 0.853 109.608 108.800 -0.076 0.000 2.157 186 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.248 186 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.248 186 G C -0.039 174.830 174.900 -0.051 0.000 0.979 186 G CA -0.398 44.682 45.100 -0.034 0.000 0.650 186 G HN 0.280 nan 8.290 nan 0.000 0.529 187 N N 0.604 119.275 118.700 -0.047 0.000 2.503 187 N HA 0.637 5.374 4.740 -0.006 0.000 0.267 187 N C 0.628 176.142 175.510 0.007 0.000 1.214 187 N CA 0.758 53.752 53.050 -0.094 0.000 0.959 187 N CB 1.337 39.831 38.487 0.011 0.000 1.142 187 N HN 0.809 nan 8.380 nan 0.000 0.455 188 I N -3.555 116.956 120.570 -0.097 0.000 2.969 188 I HA 0.878 5.044 4.170 -0.006 0.000 0.307 188 I C -0.174 175.982 176.117 0.065 0.000 1.149 188 I CA -1.026 60.339 61.300 0.110 0.000 1.008 188 I CB 2.391 40.449 38.000 0.098 0.000 1.232 188 I HN 0.471 nan 8.210 nan 0.000 0.435 189 G N 2.096 111.104 108.800 0.346 0.000 2.646 189 G HA2 0.575 4.531 3.960 -0.006 0.000 0.291 189 G HA3 0.575 4.531 3.960 -0.006 0.000 0.291 189 G C -2.637 172.689 174.900 0.709 0.000 1.445 189 G CA -0.588 44.754 45.100 0.404 0.000 0.814 189 G HN 0.896 nan 8.290 nan 0.000 0.495 190 Y N 0.227 120.865 120.300 0.563 0.000 2.513 190 Y HA 0.697 5.243 4.550 -0.006 0.000 0.340 190 Y C -1.514 174.626 175.900 0.400 0.000 1.055 190 Y CA -1.088 57.243 58.100 0.386 0.000 1.020 190 Y CB 2.230 40.815 38.460 0.208 0.000 1.301 190 Y HN 0.602 nan 8.280 nan 0.000 0.453 191 V N 5.018 124.718 119.914 -0.357 0.000 2.686 191 V HA 0.230 4.346 4.120 -0.006 0.000 0.306 191 V C -1.172 174.497 176.094 -0.708 0.000 1.065 191 V CA -0.874 61.157 62.300 -0.450 0.000 0.894 191 V CB 1.505 33.240 31.823 -0.146 0.000 1.004 191 V HN 0.867 nan 8.190 nan 0.000 0.424 192 H N 3.322 121.930 119.070 -0.769 0.000 2.969 192 H HA 0.475 5.028 4.556 -0.006 0.000 0.269 192 H C 0.676 175.865 175.328 -0.231 0.000 1.223 192 H CA 0.200 56.000 56.048 -0.413 0.000 1.400 192 H CB 0.476 30.014 29.762 -0.374 0.000 1.500 192 H HN 0.893 nan 8.280 nan 0.000 0.486 193 T N 1.769 116.044 114.554 -0.466 0.000 2.726 193 T HA 0.601 4.947 4.350 -0.006 0.000 0.294 193 T C 0.712 175.236 174.700 -0.293 0.000 1.013 193 T CA 0.088 61.925 62.100 -0.438 0.000 0.996 193 T CB 1.018 69.378 68.868 -0.845 0.000 1.016 193 T HN 1.075 nan 8.240 nan 0.000 0.529 194 G N -0.737 107.909 108.800 -0.256 0.000 2.381 194 G HA2 0.485 4.441 3.960 -0.006 0.000 0.672 194 G HA3 0.485 4.441 3.960 -0.006 0.000 0.672 194 G C -0.629 174.020 174.900 -0.418 0.000 1.324 194 G CA -0.434 44.455 45.100 -0.352 0.000 0.975 194 G HN 1.461 nan 8.290 nan 0.000 0.593 195 A N 0.143 122.642 122.820 -0.534 0.000 2.260 195 A HA 0.791 5.107 4.320 -0.006 0.000 0.308 195 A C -0.854 176.259 177.584 -0.784 0.000 1.254 195 A CA -0.273 51.510 52.037 -0.424 0.000 0.874 195 A CB 0.269 19.148 19.000 -0.201 0.000 1.153 195 A HN 1.138 nan 8.150 nan 0.000 0.527 196 Y N 3.145 123.410 120.300 -0.059 0.000 2.393 196 Y HA 0.487 5.033 4.550 -0.006 0.000 0.341 196 Y C -2.068 173.668 175.900 -0.273 0.000 0.988 196 Y CA -2.728 55.296 58.100 -0.127 0.000 1.078 196 Y CB 1.575 40.020 38.460 -0.026 0.000 1.203 196 Y HN 0.506 nan 8.280 nan 0.000 0.453 197 P HA -0.008 nan 4.420 nan 0.000 0.272 197 P C -0.636 176.426 177.300 -0.397 0.000 1.223 197 P CA -0.104 62.537 63.100 -0.766 0.000 0.784 197 P CB 1.040 31.564 31.700 -1.960 0.000 0.923 198 D N 2.394 122.652 120.400 -0.236 0.000 2.467 198 D HA 0.162 4.798 4.640 -0.006 0.000 0.220 198 D C -0.167 176.137 176.300 0.006 0.000 1.103 198 D CA -0.427 53.531 54.000 -0.069 0.000 0.886 198 D CB 0.074 40.879 40.800 0.008 0.000 1.025 198 D HN 0.141 nan 8.370 nan 0.000 0.514 199 R N 2.193 122.681 120.500 -0.019 0.000 2.500 199 R HA 0.262 4.598 4.340 -0.006 0.000 0.275 199 R C 0.571 177.001 176.300 0.217 0.000 1.051 199 R CA -0.782 55.392 56.100 0.123 0.000 1.088 199 R CB 0.814 31.064 30.300 -0.083 0.000 1.063 199 R HN 0.380 nan 8.270 nan 0.000 0.511 200 Q N 0.689 120.706 119.800 0.361 0.000 2.395 200 Q HA 0.030 4.366 4.340 -0.006 0.000 0.271 200 Q C -0.103 176.072 176.000 0.291 0.000 1.026 200 Q CA 0.370 56.339 55.803 0.277 0.000 0.900 200 Q CB 0.835 29.732 28.738 0.266 0.000 1.266 200 Q HN 0.517 nan 8.270 nan 0.000 0.430 201 S N 0.389 116.197 115.700 0.179 0.000 2.563 201 S HA 0.241 4.707 4.470 -0.006 0.000 0.294 201 S C 1.082 175.858 174.600 0.293 0.000 1.279 201 S CA 0.988 59.297 58.200 0.182 0.000 1.069 201 S CB -0.043 63.219 63.200 0.103 0.000 0.828 201 S HN 0.807 nan 8.310 nan 0.000 0.497 202 G N 2.514 111.486 108.800 0.285 0.000 2.195 202 G HA2 -0.251 3.706 3.960 -0.006 0.000 0.246 202 G HA3 -0.251 3.706 3.960 -0.006 0.000 0.246 202 G C -0.008 175.080 174.900 0.314 0.000 0.984 202 G CA 0.294 45.586 45.100 0.318 0.000 0.633 202 G HN 0.901 nan 8.290 nan 0.000 0.525 203 H N 1.384 120.625 119.070 0.284 0.000 3.082 203 H HA 0.416 4.968 4.556 -0.006 0.000 0.275 203 H C -0.413 174.920 175.328 0.008 0.000 1.032 203 H CA -0.045 56.063 56.048 0.101 0.000 1.477 203 H CB 0.505 30.415 29.762 0.246 0.000 1.520 203 H HN 0.140 nan 8.280 nan 0.000 0.521 204 D N 7.449 127.953 120.400 0.174 0.000 2.347 204 D HA 0.064 4.701 4.640 -0.006 0.000 0.235 204 D C -1.759 174.669 176.300 0.213 0.000 1.149 204 D CA -2.460 51.615 54.000 0.125 0.000 0.850 204 D CB 1.557 42.364 40.800 0.012 0.000 1.061 204 D HN 0.437 nan 8.370 nan 0.000 0.487 205 P HA 0.026 nan 4.420 nan 0.000 0.242 205 P C 0.612 177.955 177.300 0.072 0.000 1.197 205 P CA 0.275 63.430 63.100 0.092 0.000 0.765 205 P CB 0.298 31.962 31.700 -0.061 0.000 0.936 206 R N -0.959 119.572 120.500 0.051 0.000 2.300 206 R HA 0.287 4.623 4.340 -0.006 0.000 0.199 206 R C 0.704 177.020 176.300 0.027 0.000 0.920 206 R CA 0.293 56.416 56.100 0.038 0.000 1.046 206 R CB -0.047 30.275 30.300 0.037 0.000 0.984 206 R HN 0.230 nan 8.270 nan 0.000 0.493 207 L N -0.329 120.897 121.223 0.006 0.000 2.359 207 L HA 0.508 4.844 4.340 -0.006 0.000 0.256 207 L C -2.483 174.337 176.870 -0.084 0.000 1.026 207 L CA -2.719 52.099 54.840 -0.036 0.000 0.828 207 L CB 1.655 43.678 42.059 -0.060 0.000 1.406 207 L HN -0.268 nan 8.230 nan 0.000 0.413 208 P HA 0.220 nan 4.420 nan 0.000 0.270 208 P C -1.275 175.841 177.300 -0.307 0.000 1.223 208 P CA -0.337 62.680 63.100 -0.138 0.000 0.785 208 P CB 0.736 32.447 31.700 0.018 0.000 0.923 209 V N -1.690 117.949 119.914 -0.457 0.000 2.823 209 V HA 0.637 4.753 4.120 -0.006 0.000 0.312 209 V C -2.772 173.091 176.094 -0.385 0.000 1.072 209 V CA -3.222 58.698 62.300 -0.634 0.000 0.937 209 V CB 1.558 32.826 31.823 -0.925 0.000 1.013 209 V HN 0.292 nan 8.190 nan 0.000 0.430 210 P HA 0.222 nan 4.420 nan 0.000 0.265 210 P C 0.783 178.160 177.300 0.129 0.000 1.193 210 P CA 0.479 63.562 63.100 -0.028 0.000 0.765 210 P CB 0.765 32.518 31.700 0.088 0.000 0.823 211 G N 1.198 110.067 108.800 0.116 0.000 3.371 211 G HA2 -0.018 3.938 3.960 -0.006 0.000 0.248 211 G HA3 -0.018 3.938 3.960 -0.006 0.000 0.248 211 G C 0.965 176.044 174.900 0.298 0.000 1.161 211 G CA 0.117 45.301 45.100 0.140 0.000 0.796 211 G HN 0.537 nan 8.290 nan 0.000 0.539 212 T N -3.522 111.182 114.554 0.251 0.000 3.118 212 T HA 0.360 4.706 4.350 -0.006 0.000 0.260 212 T C 1.797 176.622 174.700 0.208 0.000 1.139 212 T CA 1.274 63.495 62.100 0.201 0.000 1.085 212 T CB 0.228 69.144 68.868 0.080 0.000 0.934 212 T HN 0.931 nan 8.240 nan 0.000 0.518 213 G N 1.243 110.208 108.800 0.275 0.000 2.797 213 G HA2 -0.182 3.774 3.960 -0.006 0.000 0.195 213 G HA3 -0.182 3.774 3.960 -0.006 0.000 0.195 213 G C 0.865 175.818 174.900 0.088 0.000 1.026 213 G CA -0.001 45.197 45.100 0.163 0.000 0.759 213 G HN 0.447 nan 8.290 nan 0.000 0.475 214 K N 0.078 120.476 120.400 -0.002 0.000 2.296 214 K HA 0.195 4.511 4.320 -0.006 0.000 0.200 214 K C 1.464 177.842 176.600 -0.370 0.000 1.048 214 K CA 1.034 57.177 56.287 -0.240 0.000 0.966 214 K CB -0.229 32.020 32.500 -0.418 0.000 0.754 214 K HN 0.589 nan 8.250 nan 0.000 0.466 215 W N 1.780 123.164 121.300 0.141 0.000 3.278 215 W HA 0.136 4.792 4.660 -0.007 0.000 0.308 215 W C -0.437 176.292 176.519 0.350 0.000 1.253 215 W CA -0.743 56.697 57.345 0.158 0.000 1.759 215 W CB 0.206 29.662 29.460 -0.007 0.000 1.093 215 W HN -0.139 nan 8.180 nan 0.000 0.648 216 D N 0.335 121.044 120.400 0.515 0.000 2.506 216 D HA -0.110 4.526 4.640 -0.006 0.000 0.234 216 D C 0.521 177.130 176.300 0.516 0.000 1.143 216 D CA 0.408 54.697 54.000 0.482 0.000 0.871 216 D CB 0.442 41.419 40.800 0.295 0.000 1.190 216 D HN -0.193 nan 8.370 nan 0.000 0.459 217 W N 1.581 123.134 121.300 0.422 0.000 2.160 217 W HA 0.007 4.663 4.660 -0.007 0.000 0.352 217 W C 1.577 178.201 176.519 0.176 0.000 1.288 217 W CA -0.376 57.141 57.345 0.287 0.000 1.279 217 W CB -0.116 29.489 29.460 0.241 0.000 1.181 217 W HN 0.410 nan 8.180 nan 0.000 0.593 218 K N 0.819 121.435 120.400 0.360 0.000 2.356 218 K HA 0.290 4.606 4.320 -0.006 0.000 0.195 218 K C 0.999 177.705 176.600 0.177 0.000 1.037 218 K CA 0.819 57.232 56.287 0.210 0.000 1.014 218 K CB 0.561 33.146 32.500 0.143 0.000 0.815 218 K HN 0.611 nan 8.250 nan 0.000 0.507 219 G N 0.464 109.387 108.800 0.205 0.000 2.373 219 G HA2 0.143 4.099 3.960 -0.006 0.000 0.250 219 G HA3 0.143 4.099 3.960 -0.006 0.000 0.250 219 G C -1.946 172.995 174.900 0.068 0.000 1.304 219 G CA -1.019 44.162 45.100 0.135 0.000 0.948 219 G HN -0.024 nan 8.290 nan 0.000 0.474 220 L N 0.529 121.766 121.223 0.023 0.000 2.354 220 L HA 0.627 4.964 4.340 -0.006 0.000 0.269 220 L C 0.222 177.089 176.870 -0.006 0.000 1.005 220 L CA -0.905 53.916 54.840 -0.032 0.000 0.819 220 L CB 1.949 43.990 42.059 -0.029 0.000 1.311 220 L HN 0.456 nan 8.230 nan 0.000 0.423 221 L N 2.439 123.664 121.223 0.002 0.000 2.464 221 L HA 0.306 4.642 4.340 -0.006 0.000 0.264 221 L C -1.871 175.027 176.870 0.047 0.000 1.199 221 L CA -1.548 53.311 54.840 0.032 0.000 0.818 221 L CB 0.149 42.242 42.059 0.056 0.000 1.102 221 L HN 0.374 nan 8.230 nan 0.000 0.473 222 P HA 0.011 nan 4.420 nan 0.000 0.276 222 P C 0.283 177.637 177.300 0.089 0.000 1.252 222 P CA -0.379 62.757 63.100 0.061 0.000 0.802 222 P CB 0.482 32.207 31.700 0.043 0.000 1.035 223 F N 0.975 120.897 119.950 -0.047 0.000 2.269 223 F HA -0.118 4.406 4.527 -0.006 0.000 0.301 223 F C 2.115 177.883 175.800 -0.053 0.000 1.082 223 F CA 1.506 59.464 58.000 -0.070 0.000 1.360 223 F CB -0.279 38.647 39.000 -0.123 0.000 1.041 223 F HN 0.444 nan 8.300 nan 0.000 0.512 224 E N -0.184 119.953 120.200 -0.105 0.000 2.153 224 E HA -0.215 4.131 4.350 -0.006 0.000 0.194 224 E C 1.972 178.458 176.600 -0.190 0.000 0.988 224 E CA 1.458 57.755 56.400 -0.171 0.000 0.811 224 E CB -0.111 29.560 29.700 -0.048 0.000 0.746 224 E HN 0.364 nan 8.360 nan 0.000 0.466 225 M N 0.859 120.386 119.600 -0.120 0.000 2.492 225 M HA 0.022 4.498 4.480 -0.006 0.000 0.262 225 M C 0.044 176.277 176.300 -0.111 0.000 1.090 225 M CA 0.402 55.657 55.300 -0.076 0.000 1.110 225 M CB -0.803 31.793 32.600 -0.006 0.000 1.407 225 M HN -0.033 nan 8.290 nan 0.000 0.470 226 N N 1.963 120.526 118.700 -0.228 0.000 2.475 226 N HA 0.143 4.879 4.740 -0.006 0.000 0.267 226 N C -2.492 172.854 175.510 -0.273 0.000 1.169 226 N CA -0.861 52.060 53.050 -0.215 0.000 0.947 226 N CB 0.061 38.381 38.487 -0.278 0.000 1.061 226 N HN -0.028 nan 8.380 nan 0.000 0.466 227 P HA -0.017 nan 4.420 nan 0.000 0.262 227 P C -0.667 176.495 177.300 -0.229 0.000 1.182 227 P CA 0.408 63.376 63.100 -0.219 0.000 0.761 227 P CB 0.301 31.801 31.700 -0.332 0.000 0.795 228 K N 0.891 121.224 120.400 -0.111 0.000 2.568 228 K HA 0.773 5.089 4.320 -0.006 0.000 0.273 228 K C -2.100 174.593 176.600 0.154 0.000 0.951 228 K CA -1.081 55.194 56.287 -0.019 0.000 0.854 228 K CB 1.950 34.436 32.500 -0.023 0.000 1.424 228 K HN 0.199 nan 8.250 nan 0.000 0.427 229 V N 2.229 122.317 119.914 0.289 0.000 2.969 229 V HA 0.553 4.669 4.120 -0.006 0.000 0.304 229 V C -2.284 173.932 176.094 0.203 0.000 1.192 229 V CA -0.544 61.890 62.300 0.224 0.000 0.962 229 V CB 2.057 33.983 31.823 0.172 0.000 1.045 229 V HN 0.817 nan 8.190 nan 0.000 0.428 230 Y N 5.957 126.165 120.300 -0.154 0.000 2.361 230 Y HA 0.535 5.081 4.550 -0.006 0.000 0.337 230 Y C 0.405 176.125 175.900 -0.301 0.000 0.965 230 Y CA -0.780 57.014 58.100 -0.510 0.000 1.091 230 Y CB 1.446 39.316 38.460 -0.984 0.000 1.182 230 Y HN 0.836 nan 8.280 nan 0.000 0.450 231 N N 5.007 123.311 118.700 -0.660 0.000 2.667 231 N HA -0.144 4.593 4.740 -0.006 0.000 0.263 231 N C -2.740 172.632 175.510 -0.230 0.000 1.038 231 N CA 0.774 53.532 53.050 -0.487 0.000 0.749 231 N CB -0.841 37.248 38.487 -0.664 0.000 0.892 231 N HN 0.510 nan 8.380 nan 0.000 0.546 232 P HA -0.062 nan 4.420 nan 0.000 0.266 232 P C 0.825 178.066 177.300 -0.100 0.000 1.193 232 P CA 0.189 63.227 63.100 -0.102 0.000 0.770 232 P CB 0.718 32.351 31.700 -0.112 0.000 0.836 233 Q N 1.460 121.213 119.800 -0.079 0.000 2.152 233 Q HA -0.176 4.160 4.340 -0.006 0.000 0.206 233 Q C 2.180 178.145 176.000 -0.057 0.000 0.985 233 Q CA 2.176 57.942 55.803 -0.061 0.000 0.863 233 Q CB -0.469 28.242 28.738 -0.045 0.000 0.904 233 Q HN 0.666 nan 8.270 nan 0.000 0.422 234 S N -0.742 114.903 115.700 -0.092 0.000 2.419 234 S HA -0.051 4.415 4.470 -0.006 0.000 0.233 234 S C 1.670 176.272 174.600 0.004 0.000 1.016 234 S CA 0.963 59.112 58.200 -0.086 0.000 0.974 234 S CB -0.218 62.801 63.200 -0.302 0.000 0.786 234 S HN 0.601 nan 8.310 nan 0.000 0.492 235 G N -0.026 108.761 108.800 -0.020 0.000 2.175 235 G HA2 -0.192 3.764 3.960 -0.006 0.000 0.244 235 G HA3 -0.192 3.764 3.960 -0.006 0.000 0.244 235 G C -0.082 174.918 174.900 0.166 0.000 0.982 235 G CA 0.407 45.544 45.100 0.062 0.000 0.641 235 G HN 1.432 nan 8.290 nan 0.000 0.527 236 Y N -1.695 118.610 120.300 0.008 0.000 2.624 236 Y HA 0.771 5.317 4.550 -0.006 0.000 0.334 236 Y C -1.082 174.847 175.900 0.049 0.000 1.155 236 Y CA -2.296 55.827 58.100 0.037 0.000 1.046 236 Y CB 0.963 39.441 38.460 0.031 0.000 1.316 236 Y HN 0.176 nan 8.280 nan 0.000 0.457 237 I N 2.746 123.428 120.570 0.186 0.000 2.418 237 I HA 0.807 4.974 4.170 -0.006 0.000 0.287 237 I C -0.678 175.593 176.117 0.256 0.000 1.008 237 I CA -0.942 60.429 61.300 0.118 0.000 1.104 237 I CB 1.870 39.999 38.000 0.214 0.000 1.264 237 I HN 0.897 nan 8.210 nan 0.000 0.438 238 A N 6.082 129.020 122.820 0.197 0.000 2.414 238 A HA 0.785 5.101 4.320 -0.006 0.000 0.306 238 A C -1.139 176.527 177.584 0.137 0.000 1.054 238 A CA -0.581 51.594 52.037 0.230 0.000 0.724 238 A CB 1.787 20.962 19.000 0.292 0.000 1.267 238 A HN 0.702 nan 8.150 nan 0.000 0.418 239 N N 1.160 119.956 118.700 0.160 0.000 2.367 239 N HA 0.288 5.024 4.740 -0.006 0.000 0.278 239 N C -1.971 173.720 175.510 0.300 0.000 1.117 239 N CA -0.184 52.988 53.050 0.203 0.000 0.867 239 N CB 1.887 40.537 38.487 0.271 0.000 1.649 239 N HN 0.710 nan 8.380 nan 0.000 0.479 240 W N 3.984 125.369 121.300 0.141 0.000 1.055 240 W HA 0.375 5.031 4.660 -0.006 0.000 0.287 240 W C -0.279 176.367 176.519 0.211 0.000 0.855 240 W CA -0.471 56.967 57.345 0.155 0.000 2.144 240 W CB -1.034 28.489 29.460 0.106 0.000 1.405 240 W HN 0.673 nan 8.180 nan 0.000 0.490 241 N N 1.470 120.487 118.700 0.528 0.000 2.818 241 N HA -0.206 4.530 4.740 -0.006 0.000 0.250 241 N C 0.049 175.910 175.510 0.585 0.000 1.108 241 N CA 1.449 54.865 53.050 0.610 0.000 0.745 241 N CB -1.673 37.223 38.487 0.682 0.000 1.104 241 N HN 0.531 nan 8.380 nan 0.000 0.557 242 N N -0.706 118.140 118.700 0.242 0.000 2.405 242 N HA 0.217 4.953 4.740 -0.006 0.000 0.269 242 N C 0.134 175.167 175.510 -0.795 0.000 1.249 242 N CA -0.323 52.626 53.050 -0.169 0.000 0.974 242 N CB 0.657 39.071 38.487 -0.121 0.000 1.204 242 N HN 0.081 nan 8.380 nan 0.000 0.565 243 S N -0.385 114.428 115.700 -1.478 0.000 2.562 243 S HA 0.122 4.588 4.470 -0.006 0.000 0.281 243 S C -1.439 172.748 174.600 -0.689 0.000 1.333 243 S CA -1.037 56.180 58.200 -1.638 0.000 1.052 243 S CB 0.267 62.882 63.200 -0.974 0.000 0.884 243 S HN 0.421 nan 8.310 nan 0.000 0.506 244 P HA -0.021 nan 4.420 nan 0.000 0.216 244 P C 0.083 177.272 177.300 -0.185 0.000 1.153 244 P CA 1.040 63.973 63.100 -0.279 0.000 0.848 244 P CB 0.112 31.498 31.700 -0.525 0.000 0.787 245 Q N -2.160 117.516 119.800 -0.207 0.000 2.578 245 Q HA 0.234 4.570 4.340 -0.006 0.000 0.284 245 Q C -1.142 174.850 176.000 -0.012 0.000 0.960 245 Q CA -0.904 54.847 55.803 -0.086 0.000 0.809 245 Q CB 1.589 30.273 28.738 -0.090 0.000 1.462 245 Q HN -0.271 nan 8.270 nan 0.000 0.392 246 K N 1.846 122.248 120.400 0.004 0.000 2.453 246 K HA -0.079 4.237 4.320 -0.006 0.000 0.280 246 K C -0.801 175.840 176.600 0.067 0.000 1.045 246 K CA 1.285 57.591 56.287 0.032 0.000 1.059 246 K CB 0.150 32.662 32.500 0.021 0.000 0.901 246 K HN 0.642 nan 8.250 nan 0.000 0.475 247 D N 1.540 121.994 120.400 0.091 0.000 2.981 247 D HA -0.246 4.391 4.640 -0.006 0.000 0.203 247 D C -0.797 175.577 176.300 0.123 0.000 1.049 247 D CA 0.821 54.877 54.000 0.093 0.000 1.003 247 D CB -1.448 39.388 40.800 0.061 0.000 1.085 247 D HN 0.554 nan 8.370 nan 0.000 0.432 248 Y N 2.518 122.840 120.300 0.036 0.000 2.359 248 Y HA 0.404 4.950 4.550 -0.006 0.000 0.334 248 Y C -1.915 174.099 175.900 0.190 0.000 1.058 248 Y CA -1.273 56.854 58.100 0.045 0.000 1.244 248 Y CB 0.914 39.344 38.460 -0.049 0.000 1.187 248 Y HN -0.164 nan 8.280 nan 0.000 0.510 249 P HA 0.383 nan 4.420 nan 0.000 0.288 249 P C -1.265 176.003 177.300 -0.053 0.000 1.267 249 P CA -0.415 62.621 63.100 -0.107 0.000 0.815 249 P CB 1.559 33.151 31.700 -0.179 0.000 0.989 250 A N 2.188 124.990 122.820 -0.031 0.000 2.242 250 A HA 0.456 4.772 4.320 -0.006 0.000 0.304 250 A C 0.636 178.117 177.584 -0.173 0.000 1.100 250 A CA -0.458 51.362 52.037 -0.361 0.000 0.860 250 A CB -0.143 18.370 19.000 -0.812 0.000 1.168 250 A HN 0.583 nan 8.150 nan 0.000 0.503 251 S N -0.897 114.695 115.700 -0.181 0.000 2.542 251 S HA -0.062 4.404 4.470 -0.006 0.000 0.287 251 S C 0.856 175.416 174.600 -0.065 0.000 1.315 251 S CA 0.707 58.853 58.200 -0.090 0.000 1.037 251 S CB 0.003 63.081 63.200 -0.203 0.000 0.822 251 S HN 0.766 nan 8.310 nan 0.000 0.513 252 D N 2.829 123.215 120.400 -0.022 0.000 2.363 252 D HA 0.029 4.666 4.640 -0.006 0.000 0.226 252 D C 0.488 176.780 176.300 -0.013 0.000 1.020 252 D CA 0.123 54.122 54.000 -0.001 0.000 0.892 252 D CB -0.510 40.303 40.800 0.023 0.000 0.900 252 D HN 0.472 nan 8.370 nan 0.000 0.531 253 L N 1.185 122.366 121.223 -0.070 0.000 2.578 253 L HA -0.031 4.305 4.340 -0.006 0.000 0.279 253 L C 1.334 178.122 176.870 -0.138 0.000 1.227 253 L CA -0.534 54.201 54.840 -0.175 0.000 0.900 253 L CB 0.173 42.098 42.059 -0.223 0.000 1.144 253 L HN 0.106 nan 8.230 nan 0.000 0.496 254 F N 1.891 121.766 119.950 -0.124 0.000 2.234 254 F HA -0.019 4.504 4.527 -0.006 0.000 0.299 254 F C 1.893 177.639 175.800 -0.091 0.000 1.087 254 F CA 0.769 58.710 58.000 -0.097 0.000 1.340 254 F CB -0.663 38.210 39.000 -0.211 0.000 1.031 254 F HN 0.409 nan 8.300 nan 0.000 0.500 255 A N -0.816 121.706 122.820 -0.496 0.000 2.259 255 A HA 0.187 4.503 4.320 -0.006 0.000 0.208 255 A C -0.085 177.437 177.584 -0.102 0.000 1.201 255 A CA -0.070 51.836 52.037 -0.219 0.000 0.824 255 A CB -1.263 17.482 19.000 -0.424 0.000 0.838 255 A HN 0.419 nan 8.150 nan 0.000 0.485 256 F N -0.031 119.767 119.950 -0.252 0.000 2.477 256 F HA 0.685 5.209 4.527 -0.006 0.000 0.335 256 F C -0.924 174.704 175.800 -0.287 0.000 1.130 256 F CA -1.081 56.728 58.000 -0.318 0.000 0.948 256 F CB 1.172 39.909 39.000 -0.439 0.000 1.154 256 F HN -0.055 nan 8.300 nan 0.000 0.439 257 L N 4.747 125.597 121.223 -0.622 0.000 2.424 257 L HA 0.431 4.768 4.340 -0.006 0.000 0.258 257 L C -1.618 174.974 176.870 -0.464 0.000 0.995 257 L CA -0.788 53.818 54.840 -0.391 0.000 0.821 257 L CB 2.377 44.361 42.059 -0.126 0.000 1.383 257 L HN 0.528 nan 8.230 nan 0.000 0.410 258 W N 1.971 123.180 121.300 -0.152 0.000 2.338 258 W HA 0.676 5.332 4.660 -0.007 0.000 0.315 258 W C 0.198 176.692 176.519 -0.042 0.000 1.005 258 W CA -0.999 56.284 57.345 -0.103 0.000 1.380 258 W CB 1.456 30.923 29.460 0.011 0.000 1.235 258 W HN 0.543 nan 8.180 nan 0.000 0.409 259 G N 0.290 109.179 108.800 0.149 0.000 3.176 259 G HA2 0.483 4.439 3.960 -0.006 0.000 0.272 259 G HA3 0.483 4.439 3.960 -0.006 0.000 0.272 259 G C 0.693 175.638 174.900 0.074 0.000 1.349 259 G CA -0.151 45.014 45.100 0.109 0.000 0.953 259 G HN 0.361 nan 8.290 nan 0.000 0.559 260 G N -0.570 108.294 108.800 0.107 0.000 2.448 260 G HA2 0.329 4.286 3.960 -0.006 0.000 0.218 260 G HA3 0.329 4.286 3.960 -0.006 0.000 0.218 260 G C 0.850 175.673 174.900 -0.128 0.000 1.135 260 G CA 1.380 46.536 45.100 0.094 0.000 0.784 260 G HN 1.086 nan 8.290 nan 0.000 0.543 261 A N 0.566 123.200 122.820 -0.310 0.000 2.279 261 A HA 0.546 4.862 4.320 -0.006 0.000 0.306 261 A C -0.819 176.609 177.584 -0.260 0.000 1.300 261 A CA -0.432 51.273 52.037 -0.554 0.000 0.925 261 A CB 0.408 18.988 19.000 -0.699 0.000 1.152 261 A HN 0.178 nan 8.150 nan 0.000 0.544 262 D N 2.229 122.498 120.400 -0.218 0.000 2.934 262 D HA 0.170 4.806 4.640 -0.006 0.000 0.230 262 D C 0.967 177.174 176.300 -0.155 0.000 1.204 262 D CA -0.493 53.420 54.000 -0.146 0.000 0.873 262 D CB 1.356 42.111 40.800 -0.075 0.000 1.645 262 D HN 0.628 nan 8.370 nan 0.000 0.502 263 R N 1.902 122.276 120.500 -0.210 0.000 2.285 263 R HA -0.033 4.303 4.340 -0.006 0.000 0.213 263 R C 1.496 177.804 176.300 0.013 0.000 1.068 263 R CA 0.497 56.451 56.100 -0.243 0.000 1.004 263 R CB -0.277 29.623 30.300 -0.667 0.000 0.873 263 R HN 0.196 nan 8.270 nan 0.000 0.467 264 V N 1.572 121.548 119.914 0.104 0.000 2.809 264 V HA -0.152 3.964 4.120 -0.006 0.000 0.256 264 V C 1.423 177.588 176.094 0.118 0.000 1.080 264 V CA 2.090 64.532 62.300 0.237 0.000 1.102 264 V CB -0.302 31.630 31.823 0.181 0.000 0.705 264 V HN 0.469 nan 8.190 nan 0.000 0.475 265 T N 0.141 114.714 114.554 0.032 0.000 2.803 265 T HA -0.157 4.189 4.350 -0.006 0.000 0.269 265 T C 1.740 176.427 174.700 -0.021 0.000 1.052 265 T CA 1.545 63.639 62.100 -0.010 0.000 1.136 265 T CB -0.251 68.585 68.868 -0.054 0.000 0.864 265 T HN 0.518 nan 8.240 nan 0.000 0.467 266 E N 0.793 120.997 120.200 0.005 0.000 2.153 266 E HA -0.018 4.328 4.350 -0.006 0.000 0.194 266 E C 2.150 178.703 176.600 -0.077 0.000 0.988 266 E CA 0.777 57.170 56.400 -0.013 0.000 0.811 266 E CB -0.283 29.471 29.700 0.090 0.000 0.746 266 E HN 0.544 nan 8.360 nan 0.000 0.466 267 I N 1.052 121.589 120.570 -0.056 0.000 2.400 267 I HA -0.187 3.979 4.170 -0.006 0.000 0.248 267 I C 1.811 177.773 176.117 -0.257 0.000 1.109 267 I CA 0.663 61.805 61.300 -0.263 0.000 1.425 267 I CB -0.149 37.715 38.000 -0.226 0.000 1.094 267 I HN -0.086 nan 8.210 nan 0.000 0.425 268 D N 1.446 121.784 120.400 -0.103 0.000 2.116 268 D HA -0.206 4.431 4.640 -0.006 0.000 0.193 268 D C 2.242 178.456 176.300 -0.143 0.000 0.998 268 D CA 1.480 55.439 54.000 -0.067 0.000 0.836 268 D CB -0.306 40.519 40.800 0.042 0.000 0.951 268 D HN 0.376 nan 8.370 nan 0.000 0.449 269 R N 0.453 120.876 120.500 -0.128 0.000 2.091 269 R HA -0.066 4.270 4.340 -0.006 0.000 0.238 269 R C 2.614 178.802 176.300 -0.188 0.000 1.136 269 R CA 0.895 56.915 56.100 -0.132 0.000 0.959 269 R CB -0.610 29.619 30.300 -0.118 0.000 0.856 269 R HN 0.238 nan 8.270 nan 0.000 0.437 270 L N 0.703 121.777 121.223 -0.249 0.000 2.156 270 L HA -0.055 4.282 4.340 -0.006 0.000 0.208 270 L C 2.232 178.903 176.870 -0.331 0.000 1.095 270 L CA 0.853 55.519 54.840 -0.289 0.000 0.770 270 L CB -0.329 41.520 42.059 -0.351 0.000 0.914 270 L HN 0.164 nan 8.230 nan 0.000 0.439 271 L N -0.848 120.123 121.223 -0.421 0.000 2.270 271 L HA -0.055 4.281 4.340 -0.006 0.000 0.210 271 L C 2.052 178.676 176.870 -0.410 0.000 1.104 271 L CA 0.715 55.242 54.840 -0.521 0.000 0.804 271 L CB -0.236 41.280 42.059 -0.906 0.000 0.937 271 L HN 0.228 nan 8.230 nan 0.000 0.450 272 E N -0.285 119.743 120.200 -0.287 0.000 2.435 272 E HA -0.133 4.214 4.350 -0.006 0.000 0.195 272 E C 1.996 178.524 176.600 -0.119 0.000 1.029 272 E CA 0.085 56.396 56.400 -0.148 0.000 0.865 272 E CB 0.221 29.884 29.700 -0.061 0.000 0.833 272 E HN 0.420 nan 8.360 nan 0.000 0.510 273 Q N 0.537 120.250 119.800 -0.144 0.000 2.170 273 Q HA -0.062 4.274 4.340 -0.006 0.000 0.203 273 Q C 0.113 176.052 176.000 -0.101 0.000 0.976 273 Q CA 1.045 56.778 55.803 -0.117 0.000 0.858 273 Q CB 0.317 28.975 28.738 -0.134 0.000 0.907 273 Q HN -0.037 nan 8.270 nan 0.000 0.433 274 K N -0.559 119.773 120.400 -0.113 0.000 2.324 274 K HA 0.195 4.512 4.320 -0.006 0.000 0.253 274 K C -2.095 174.459 176.600 -0.076 0.000 0.932 274 K CA -1.953 54.281 56.287 -0.089 0.000 0.799 274 K CB 1.792 34.236 32.500 -0.094 0.000 1.154 274 K HN -0.203 nan 8.250 nan 0.000 0.425 275 P HA -0.126 nan 4.420 nan 0.000 0.215 275 P C -0.346 176.936 177.300 -0.031 0.000 1.157 275 P CA 1.299 64.378 63.100 -0.035 0.000 0.868 275 P CB 0.367 32.051 31.700 -0.025 0.000 0.788 276 R N -1.468 119.012 120.500 -0.034 0.000 2.837 276 R HA 0.642 4.978 4.340 -0.006 0.000 0.271 276 R C -1.024 175.253 176.300 -0.037 0.000 0.993 276 R CA -0.965 55.119 56.100 -0.026 0.000 0.931 276 R CB 1.468 31.761 30.300 -0.012 0.000 1.206 276 R HN -0.129 nan 8.270 nan 0.000 0.474 277 L N 0.273 121.479 121.223 -0.029 0.000 2.354 277 L HA 0.507 4.843 4.340 -0.006 0.000 0.269 277 L C 0.418 177.284 176.870 -0.006 0.000 1.005 277 L CA -0.543 54.279 54.840 -0.030 0.000 0.819 277 L CB 2.075 44.110 42.059 -0.040 0.000 1.311 277 L HN 0.774 nan 8.230 nan 0.000 0.423 278 T N -1.728 112.821 114.554 -0.009 0.000 2.862 278 T HA 0.596 4.942 4.350 -0.006 0.000 0.276 278 T C 1.206 175.913 174.700 0.011 0.000 0.974 278 T CA -0.093 62.007 62.100 0.000 0.000 0.966 278 T CB 1.242 70.103 68.868 -0.013 0.000 1.072 278 T HN 0.601 nan 8.240 nan 0.000 0.538 279 A N 0.565 123.389 122.820 0.006 0.000 1.883 279 A HA -0.114 4.202 4.320 -0.006 0.000 0.217 279 A C 2.036 179.607 177.584 -0.022 0.000 1.186 279 A CA 1.824 53.858 52.037 -0.004 0.000 0.624 279 A CB -1.155 17.818 19.000 -0.045 0.000 0.822 279 A HN 0.906 nan 8.150 nan 0.000 0.444 280 D N -0.549 119.814 120.400 -0.062 0.000 2.144 280 D HA -0.140 4.496 4.640 -0.006 0.000 0.199 280 D C 2.203 178.512 176.300 0.015 0.000 0.984 280 D CA 1.482 55.449 54.000 -0.056 0.000 0.834 280 D CB -0.303 40.447 40.800 -0.083 0.000 0.955 280 D HN 0.672 nan 8.370 nan 0.000 0.465 281 Q N 0.298 120.098 119.800 -0.001 0.000 2.123 281 Q HA 0.034 4.371 4.340 -0.006 0.000 0.199 281 Q C 2.230 178.240 176.000 0.017 0.000 0.966 281 Q CA 1.076 56.870 55.803 -0.015 0.000 0.845 281 Q CB -0.028 28.683 28.738 -0.045 0.000 0.907 281 Q HN 0.172 nan 8.270 nan 0.000 0.439 282 A N 1.030 123.900 122.820 0.082 0.000 1.933 282 A HA -0.187 4.129 4.320 -0.006 0.000 0.218 282 A C 1.725 179.505 177.584 0.326 0.000 1.175 282 A CA 0.934 53.100 52.037 0.216 0.000 0.628 282 A CB -0.950 18.195 19.000 0.241 0.000 0.814 282 A HN 0.679 nan 8.150 nan 0.000 0.444 283 W N 0.808 122.122 121.300 0.024 0.000 2.381 283 W HA -0.162 4.494 4.660 -0.006 0.000 0.301 283 W C 1.385 177.899 176.519 -0.009 0.000 1.205 283 W CA 1.940 59.275 57.345 -0.017 0.000 1.285 283 W CB -0.358 29.010 29.460 -0.154 0.000 1.133 283 W HN 0.504 nan 8.180 nan 0.000 0.521 284 D N 0.219 120.641 120.400 0.037 0.000 2.265 284 D HA -0.179 4.457 4.640 -0.006 0.000 0.208 284 D C 2.109 178.277 176.300 -0.219 0.000 0.977 284 D CA 1.242 55.173 54.000 -0.114 0.000 0.871 284 D CB -0.098 40.656 40.800 -0.077 0.000 0.925 284 D HN -0.066 nan 8.370 nan 0.000 0.485 285 V N 0.427 120.221 119.914 -0.199 0.000 2.688 285 V HA -0.235 3.881 4.120 -0.006 0.000 0.256 285 V C 2.286 178.208 176.094 -0.287 0.000 1.084 285 V CA 1.096 63.180 62.300 -0.360 0.000 1.103 285 V CB -0.426 30.951 31.823 -0.742 0.000 0.688 285 V HN 0.349 nan 8.190 nan 0.000 0.480 286 I N -0.255 120.217 120.570 -0.163 0.000 2.252 286 I HA -0.221 3.945 4.170 -0.006 0.000 0.245 286 I C 2.706 178.653 176.117 -0.284 0.000 1.102 286 I CA 1.728 62.919 61.300 -0.182 0.000 1.385 286 I CB -0.419 37.327 38.000 -0.423 0.000 1.064 286 I HN 0.202 nan 8.210 nan 0.000 0.414 287 R N 0.979 121.168 120.500 -0.520 0.000 2.073 287 R HA -0.205 4.131 4.340 -0.006 0.000 0.234 287 R C 2.304 178.346 176.300 -0.430 0.000 1.134 287 R CA 1.659 57.265 56.100 -0.823 0.000 0.952 287 R CB -0.136 29.508 30.300 -1.094 0.000 0.850 287 R HN 0.395 nan 8.270 nan 0.000 0.433 288 Q N -0.306 119.293 119.800 -0.335 0.000 2.020 288 Q HA -0.153 4.183 4.340 -0.006 0.000 0.202 288 Q C 2.210 178.105 176.000 -0.175 0.000 0.982 288 Q CA 2.447 58.104 55.803 -0.243 0.000 0.838 288 Q CB -0.311 28.280 28.738 -0.245 0.000 0.899 288 Q HN 0.546 nan 8.270 nan 0.000 0.423 289 T N -1.664 112.781 114.554 -0.182 0.000 2.833 289 T HA -0.107 4.240 4.350 -0.006 0.000 0.269 289 T C 2.083 176.818 174.700 0.058 0.000 1.054 289 T CA 1.361 63.421 62.100 -0.067 0.000 1.135 289 T CB -0.369 68.378 68.868 -0.202 0.000 0.869 289 T HN 0.045 nan 8.240 nan 0.000 0.466 290 S N 1.512 117.220 115.700 0.014 0.000 2.380 290 S HA -0.086 4.380 4.470 -0.006 0.000 0.229 290 S C 2.095 176.766 174.600 0.117 0.000 1.043 290 S CA 1.388 59.642 58.200 0.090 0.000 1.038 290 S CB -0.271 62.994 63.200 0.108 0.000 0.872 290 S HN 0.595 nan 8.310 nan 0.000 0.456 291 R N 0.005 120.534 120.500 0.049 0.000 2.362 291 R HA 0.218 4.554 4.340 -0.006 0.000 0.227 291 R C 0.293 176.582 176.300 -0.018 0.000 0.905 291 R CA -0.126 56.000 56.100 0.043 0.000 1.067 291 R CB 0.237 30.537 30.300 -0.000 0.000 1.078 291 R HN 0.180 nan 8.270 nan 0.000 0.516 292 Q N 2.005 121.794 119.800 -0.018 0.000 2.296 292 Q HA -0.026 4.310 4.340 -0.006 0.000 0.262 292 Q C -0.704 175.261 176.000 -0.059 0.000 0.981 292 Q CA 0.157 55.909 55.803 -0.084 0.000 0.905 292 Q CB 0.782 29.484 28.738 -0.061 0.000 1.186 292 Q HN -0.002 nan 8.270 nan 0.000 0.399 293 D N 4.111 124.431 120.400 -0.133 0.000 2.390 293 D HA -0.021 4.615 4.640 -0.006 0.000 0.249 293 D C 0.315 176.587 176.300 -0.048 0.000 1.144 293 D CA 0.122 54.107 54.000 -0.024 0.000 0.880 293 D CB 0.853 41.683 40.800 0.049 0.000 1.182 293 D HN 0.766 nan 8.370 nan 0.000 0.451 294 L N 3.475 124.682 121.223 -0.027 0.000 2.418 294 L HA 0.006 4.342 4.340 -0.006 0.000 0.218 294 L C 1.833 178.697 176.870 -0.010 0.000 1.125 294 L CA 0.201 55.000 54.840 -0.067 0.000 0.835 294 L CB -0.176 41.800 42.059 -0.139 0.000 0.953 294 L HN 0.402 nan 8.230 nan 0.000 0.454 295 N N -0.264 118.509 118.700 0.121 0.000 2.388 295 N HA -0.019 4.717 4.740 -0.006 0.000 0.176 295 N C 1.778 177.458 175.510 0.284 0.000 1.062 295 N CA 0.258 53.479 53.050 0.285 0.000 0.895 295 N CB 0.450 39.243 38.487 0.510 0.000 1.018 295 N HN 0.142 nan 8.380 nan 0.000 0.456 296 L N 2.448 123.773 121.223 0.170 0.000 1.971 296 L HA -0.162 4.174 4.340 -0.006 0.000 0.215 296 L C 2.490 179.387 176.870 0.044 0.000 1.072 296 L CA 1.778 56.684 54.840 0.111 0.000 0.758 296 L CB -0.563 41.461 42.059 -0.059 0.000 0.889 296 L HN 0.019 nan 8.230 nan 0.000 0.433 297 R N -0.878 119.598 120.500 -0.041 0.000 2.103 297 R HA -0.199 4.137 4.340 -0.006 0.000 0.242 297 R C 2.291 178.544 176.300 -0.079 0.000 1.142 297 R CA 2.103 58.160 56.100 -0.073 0.000 0.960 297 R CB -0.363 29.871 30.300 -0.110 0.000 0.858 297 R HN 0.470 nan 8.270 nan 0.000 0.439 298 L N -1.075 120.053 121.223 -0.159 0.000 2.027 298 L HA -0.122 4.214 4.340 -0.006 0.000 0.206 298 L C 1.436 178.109 176.870 -0.330 0.000 1.074 298 L CA 1.337 55.949 54.840 -0.381 0.000 0.745 298 L CB -0.185 41.379 42.059 -0.825 0.000 0.898 298 L HN 0.190 nan 8.230 nan 0.000 0.433 299 F N -2.168 117.899 119.950 0.195 0.000 2.706 299 F HA 0.128 4.651 4.527 -0.006 0.000 0.313 299 F C 1.592 177.399 175.800 0.013 0.000 1.096 299 F CA -0.327 57.786 58.000 0.187 0.000 1.219 299 F CB -0.025 39.168 39.000 0.321 0.000 1.051 299 F HN -0.143 nan 8.300 nan 0.000 0.568 300 L N 2.509 123.805 121.223 0.122 0.000 2.017 300 L HA 0.008 4.344 4.340 -0.006 0.000 0.208 300 L C -0.677 176.204 176.870 0.019 0.000 1.073 300 L CA 2.179 57.040 54.840 0.035 0.000 0.745 300 L CB -1.573 40.501 42.059 0.024 0.000 0.894 300 L HN -0.135 nan 8.230 nan 0.000 0.432 301 P HA -0.135 nan 4.420 nan 0.000 0.216 301 P C 1.543 178.865 177.300 0.037 0.000 1.150 301 P CA 1.796 64.911 63.100 0.025 0.000 0.843 301 P CB -0.243 31.473 31.700 0.027 0.000 0.787 302 T N -0.566 114.037 114.554 0.082 0.000 2.857 302 T HA -0.016 4.330 4.350 -0.006 0.000 0.266 302 T C 1.736 176.466 174.700 0.050 0.000 1.048 302 T CA 0.962 63.129 62.100 0.111 0.000 1.139 302 T CB -0.723 68.306 68.868 0.269 0.000 0.874 302 T HN 0.061 nan 8.240 nan 0.000 0.455 303 L N 0.557 121.761 121.223 -0.031 0.000 2.109 303 L HA -0.049 4.287 4.340 -0.006 0.000 0.207 303 L C 2.832 179.660 176.870 -0.070 0.000 1.086 303 L CA 1.190 55.951 54.840 -0.131 0.000 0.760 303 L CB -0.502 41.374 42.059 -0.305 0.000 0.910 303 L HN 0.238 nan 8.230 nan 0.000 0.437 304 Q N -0.168 119.605 119.800 -0.045 0.000 2.046 304 Q HA -0.169 4.168 4.340 -0.006 0.000 0.200 304 Q C 2.456 178.442 176.000 -0.024 0.000 0.975 304 Q CA 1.654 57.436 55.803 -0.034 0.000 0.836 304 Q CB -0.263 28.461 28.738 -0.023 0.000 0.896 304 Q HN 0.557 nan 8.270 nan 0.000 0.428 305 A N 0.806 123.619 122.820 -0.012 0.000 1.930 305 A HA -0.036 4.281 4.320 -0.006 0.000 0.217 305 A C 2.230 179.808 177.584 -0.010 0.000 1.175 305 A CA 1.393 53.423 52.037 -0.010 0.000 0.627 305 A CB -0.624 18.373 19.000 -0.006 0.000 0.815 305 A HN 0.383 nan 8.150 nan 0.000 0.443 306 A N -0.388 122.431 122.820 -0.002 0.000 2.015 306 A HA -0.015 4.301 4.320 -0.006 0.000 0.219 306 A C 2.158 179.738 177.584 -0.007 0.000 1.163 306 A CA 2.113 54.153 52.037 0.004 0.000 0.646 306 A CB -0.859 18.163 19.000 0.036 0.000 0.806 306 A HN 0.753 nan 8.150 nan 0.000 0.448 307 T N -2.716 111.825 114.554 -0.021 0.000 3.069 307 T HA 0.098 4.444 4.350 -0.006 0.000 0.252 307 T C 1.647 176.327 174.700 -0.033 0.000 1.053 307 T CA 0.874 62.956 62.100 -0.030 0.000 0.964 307 T CB -0.211 68.629 68.868 -0.046 0.000 1.005 307 T HN 0.546 nan 8.240 nan 0.000 0.532 308 S N 1.477 117.160 115.700 -0.028 0.000 2.400 308 S HA 0.030 4.496 4.470 -0.006 0.000 0.232 308 S C 2.114 176.697 174.600 -0.027 0.000 1.025 308 S CA 1.058 59.242 58.200 -0.028 0.000 0.993 308 S CB -1.119 62.067 63.200 -0.023 0.000 0.808 308 S HN 0.615 nan 8.310 nan 0.000 0.478 309 G N 0.860 109.645 108.800 -0.025 0.000 3.141 309 G HA2 0.423 4.379 3.960 -0.006 0.000 0.218 309 G HA3 0.423 4.379 3.960 -0.006 0.000 0.218 309 G C 0.296 175.180 174.900 -0.028 0.000 1.170 309 G CA -0.472 44.613 45.100 -0.024 0.000 0.769 309 G HN 0.441 nan 8.290 nan 0.000 0.546 310 L N 1.272 122.475 121.223 -0.034 0.000 2.421 310 L HA 0.377 4.713 4.340 -0.006 0.000 0.263 310 L C 1.164 178.005 176.870 -0.047 0.000 1.122 310 L CA -0.764 54.051 54.840 -0.041 0.000 0.804 310 L CB 1.055 43.084 42.059 -0.051 0.000 1.150 310 L HN 0.103 nan 8.230 nan 0.000 0.457 311 T N -2.550 111.974 114.554 -0.051 0.000 2.882 311 T HA 0.042 4.388 4.350 -0.006 0.000 0.287 311 T C 0.679 175.337 174.700 -0.070 0.000 1.014 311 T CA -0.534 61.534 62.100 -0.053 0.000 1.049 311 T CB 1.433 70.271 68.868 -0.049 0.000 1.001 311 T HN 0.705 nan 8.240 nan 0.000 0.525 312 Q N 0.673 120.434 119.800 -0.066 0.000 2.170 312 Q HA -0.142 4.194 4.340 -0.006 0.000 0.203 312 Q C 1.874 177.817 176.000 -0.095 0.000 0.976 312 Q CA 1.781 57.538 55.803 -0.076 0.000 0.858 312 Q CB -0.356 28.346 28.738 -0.060 0.000 0.907 312 Q HN 0.901 nan 8.270 nan 0.000 0.433 313 S N -0.170 115.476 115.700 -0.090 0.000 2.603 313 S HA 0.016 4.483 4.470 -0.006 0.000 0.220 313 S C 0.274 174.783 174.600 -0.151 0.000 0.967 313 S CA -0.143 57.993 58.200 -0.107 0.000 0.920 313 S CB 0.174 63.329 63.200 -0.075 0.000 0.773 313 S HN 0.246 nan 8.310 nan 0.000 0.529 314 D N 2.990 123.298 120.400 -0.154 0.000 2.339 314 D HA 0.224 4.860 4.640 -0.006 0.000 0.256 314 D C -1.714 174.405 176.300 -0.302 0.000 1.214 314 D CA -2.115 51.770 54.000 -0.192 0.000 0.877 314 D CB 1.615 42.334 40.800 -0.134 0.000 1.111 314 D HN -0.009 nan 8.370 nan 0.000 0.478 315 P HA -0.146 nan 4.420 nan 0.000 0.216 315 P C 1.159 178.141 177.300 -0.530 0.000 1.153 315 P CA 1.249 63.826 63.100 -0.872 0.000 0.858 315 P CB 0.252 30.826 31.700 -1.877 0.000 0.789 316 R N -0.459 119.856 120.500 -0.308 0.000 2.117 316 R HA -0.155 4.181 4.340 -0.006 0.000 0.243 316 R C 2.524 178.758 176.300 -0.110 0.000 1.143 316 R CA 1.623 57.653 56.100 -0.117 0.000 0.968 316 R CB -0.636 29.637 30.300 -0.045 0.000 0.863 316 R HN 0.183 nan 8.270 nan 0.000 0.444 317 R N 1.132 121.548 120.500 -0.140 0.000 2.090 317 R HA -0.092 4.244 4.340 -0.006 0.000 0.228 317 R C 1.999 178.223 176.300 -0.127 0.000 1.110 317 R CA 1.288 57.319 56.100 -0.115 0.000 0.973 317 R CB 0.066 30.304 30.300 -0.104 0.000 0.869 317 R HN 0.291 nan 8.270 nan 0.000 0.440 318 Q N 0.465 120.160 119.800 -0.175 0.000 2.079 318 Q HA -0.141 4.195 4.340 -0.006 0.000 0.200 318 Q C 2.259 178.176 176.000 -0.138 0.000 0.974 318 Q CA 1.478 57.179 55.803 -0.171 0.000 0.840 318 Q CB -0.114 28.483 28.738 -0.236 0.000 0.898 318 Q HN 0.394 nan 8.270 nan 0.000 0.430 319 L N 0.207 121.366 121.223 -0.108 0.000 2.042 319 L HA -0.187 4.149 4.340 -0.006 0.000 0.210 319 L C 2.336 179.168 176.870 -0.063 0.000 1.076 319 L CA 0.874 55.688 54.840 -0.042 0.000 0.749 319 L CB -0.449 41.648 42.059 0.065 0.000 0.893 319 L HN 0.094 nan 8.230 nan 0.000 0.432 320 V N -0.409 119.458 119.914 -0.078 0.000 2.626 320 V HA -0.198 3.918 4.120 -0.006 0.000 0.252 320 V C 2.239 178.298 176.094 -0.058 0.000 1.067 320 V CA 1.455 63.709 62.300 -0.078 0.000 1.081 320 V CB -0.449 31.320 31.823 -0.090 0.000 0.686 320 V HN 0.477 nan 8.190 nan 0.000 0.468 321 E N -0.200 119.960 120.200 -0.068 0.000 2.170 321 E HA -0.106 4.240 4.350 -0.006 0.000 0.191 321 E C 2.247 178.818 176.600 -0.049 0.000 0.981 321 E CA 1.344 57.710 56.400 -0.056 0.000 0.830 321 E CB -0.216 29.444 29.700 -0.067 0.000 0.775 321 E HN 0.568 nan 8.360 nan 0.000 0.470 322 T N 2.323 116.833 114.554 -0.074 0.000 2.652 322 T HA -0.152 4.194 4.350 -0.006 0.000 0.267 322 T C 2.043 176.733 174.700 -0.017 0.000 1.039 322 T CA 0.960 63.009 62.100 -0.085 0.000 1.153 322 T CB -0.286 68.491 68.868 -0.151 0.000 0.863 322 T HN 0.097 nan 8.240 nan 0.000 0.428 323 L N 0.721 121.953 121.223 0.014 0.000 2.079 323 L HA -0.134 4.202 4.340 -0.006 0.000 0.210 323 L C 2.879 179.837 176.870 0.146 0.000 1.081 323 L CA 1.249 56.170 54.840 0.135 0.000 0.752 323 L CB -1.142 40.974 42.059 0.095 0.000 0.896 323 L HN 0.315 nan 8.230 nan 0.000 0.433 324 T N -0.773 113.816 114.554 0.058 0.000 2.867 324 T HA -0.120 4.226 4.350 -0.006 0.000 0.268 324 T C 1.928 176.659 174.700 0.052 0.000 1.057 324 T CA 0.988 63.111 62.100 0.039 0.000 1.136 324 T CB -0.125 68.744 68.868 0.002 0.000 0.874 324 T HN 0.325 nan 8.240 nan 0.000 0.466 325 R N -0.791 119.746 120.500 0.061 0.000 2.236 325 R HA 0.043 4.379 4.340 -0.006 0.000 0.208 325 R C 0.494 176.883 176.300 0.148 0.000 1.036 325 R CA 0.096 56.236 56.100 0.066 0.000 1.001 325 R CB 0.068 30.389 30.300 0.034 0.000 0.896 325 R HN 0.319 nan 8.270 nan 0.000 0.464 326 W N 2.860 124.131 121.300 -0.048 0.000 2.313 326 W HA 0.048 4.704 4.660 -0.006 0.000 0.328 326 W C 0.180 176.669 176.519 -0.050 0.000 1.197 326 W CA -1.346 55.970 57.345 -0.049 0.000 1.235 326 W CB 0.848 30.279 29.460 -0.049 0.000 1.158 326 W HN 0.064 nan 8.180 nan 0.000 0.578 327 D N 1.372 121.628 120.400 -0.240 0.000 2.349 327 D HA 0.181 4.817 4.640 -0.006 0.000 0.214 327 D C 1.594 177.427 176.300 -0.778 0.000 1.063 327 D CA 0.465 54.236 54.000 -0.381 0.000 0.847 327 D CB -0.114 40.546 40.800 -0.233 0.000 0.933 327 D HN 0.712 nan 8.370 nan 0.000 0.513 328 G N 0.223 107.932 108.800 -1.818 0.000 2.205 328 G HA2 -0.254 3.702 3.960 -0.006 0.000 0.261 328 G HA3 -0.254 3.702 3.960 -0.006 0.000 0.261 328 G C 0.018 174.275 174.900 -1.072 0.000 0.980 328 G CA 0.117 44.006 45.100 -2.018 0.000 0.632 328 G HN 0.338 nan 8.290 nan 0.000 0.533 329 I N 2.045 122.246 120.570 -0.614 0.000 2.379 329 I HA 0.218 4.384 4.170 -0.006 0.000 0.290 329 I C 0.291 176.388 176.117 -0.033 0.000 1.063 329 I CA -0.947 60.212 61.300 -0.234 0.000 1.351 329 I CB 0.209 38.113 38.000 -0.159 0.000 1.410 329 I HN 0.053 nan 8.210 nan 0.000 0.505 330 N N 7.413 126.054 118.700 -0.098 0.000 2.525 330 N HA 0.495 5.231 4.740 -0.006 0.000 0.271 330 N C -0.546 174.923 175.510 -0.069 0.000 1.194 330 N CA -0.188 52.707 53.050 -0.259 0.000 0.964 330 N CB 1.828 39.699 38.487 -1.027 0.000 1.126 330 N HN 0.436 nan 8.380 nan 0.000 0.452 331 L N 1.836 123.090 121.223 0.053 0.000 2.455 331 L HA 0.423 4.759 4.340 -0.006 0.000 0.264 331 L C -0.301 176.781 176.870 0.354 0.000 0.968 331 L CA -0.692 54.265 54.840 0.194 0.000 0.827 331 L CB 2.241 44.378 42.059 0.130 0.000 1.317 331 L HN 0.235 nan 8.230 nan 0.000 0.407 332 L N 2.698 124.126 121.223 0.342 0.000 2.417 332 L HA 0.236 4.572 4.340 -0.006 0.000 0.268 332 L C 0.589 177.570 176.870 0.185 0.000 1.158 332 L CA -0.269 54.750 54.840 0.298 0.000 0.819 332 L CB 0.483 42.653 42.059 0.185 0.000 1.112 332 L HN 0.628 nan 8.230 nan 0.000 0.458 333 N N 1.006 119.791 118.700 0.143 0.000 2.294 333 N HA -0.029 4.708 4.740 -0.006 0.000 0.248 333 N C 0.430 175.982 175.510 0.070 0.000 1.300 333 N CA -0.325 52.780 53.050 0.092 0.000 0.925 333 N CB 0.430 38.958 38.487 0.068 0.000 1.188 333 N HN 0.510 nan 8.380 nan 0.000 0.512 334 D N 0.021 120.452 120.400 0.053 0.000 2.309 334 D HA -0.142 4.494 4.640 -0.006 0.000 0.212 334 D C 0.888 177.207 176.300 0.032 0.000 0.968 334 D CA 0.873 54.898 54.000 0.042 0.000 0.882 334 D CB -0.208 40.612 40.800 0.034 0.000 0.918 334 D HN 0.581 nan 8.370 nan 0.000 0.503 335 D N -0.061 120.355 120.400 0.027 0.000 2.348 335 D HA -0.010 4.626 4.640 -0.006 0.000 0.216 335 D C 1.604 177.909 176.300 0.009 0.000 0.970 335 D CA 0.907 54.915 54.000 0.015 0.000 0.889 335 D CB -0.584 40.221 40.800 0.008 0.000 0.912 335 D HN 0.172 nan 8.370 nan 0.000 0.524 336 G N 1.157 109.967 108.800 0.017 0.000 2.179 336 G HA2 -0.364 3.593 3.960 -0.006 0.000 0.257 336 G HA3 -0.364 3.593 3.960 -0.006 0.000 0.257 336 G C 0.677 175.564 174.900 -0.022 0.000 1.010 336 G CA 0.846 45.952 45.100 0.010 0.000 0.736 336 G HN 0.651 nan 8.290 nan 0.000 0.513 337 K N -1.645 118.730 120.400 -0.042 0.000 2.608 337 K HA 0.270 4.586 4.320 -0.006 0.000 0.214 337 K C 0.490 177.002 176.600 -0.147 0.000 1.469 337 K CA 0.526 56.756 56.287 -0.094 0.000 1.012 337 K CB 0.473 32.930 32.500 -0.072 0.000 1.211 337 K HN 0.724 nan 8.250 nan 0.000 0.627 338 T N -2.141 112.356 114.554 -0.096 0.000 2.907 338 T HA 0.466 4.812 4.350 -0.006 0.000 0.292 338 T C -1.013 173.702 174.700 0.025 0.000 1.043 338 T CA -0.708 61.338 62.100 -0.089 0.000 1.003 338 T CB 1.434 70.289 68.868 -0.021 0.000 1.084 338 T HN 0.138 nan 8.240 nan 0.000 0.483 339 W N 1.462 122.769 121.300 0.011 0.000 2.251 339 W HA 0.359 5.015 4.660 -0.007 0.000 0.329 339 W C 1.667 178.181 176.519 -0.009 0.000 1.234 339 W CA -1.005 56.352 57.345 0.021 0.000 1.228 339 W CB 0.791 30.272 29.460 0.035 0.000 1.135 339 W HN 0.939 nan 8.180 nan 0.000 0.576 340 Q N 0.529 120.481 119.800 0.255 0.000 2.124 340 Q HA -0.175 4.161 4.340 -0.006 0.000 0.202 340 Q C 0.330 176.340 176.000 0.016 0.000 0.977 340 Q CA 1.251 57.121 55.803 0.112 0.000 0.850 340 Q CB 0.258 29.060 28.738 0.106 0.000 0.901 340 Q HN 0.294 nan 8.270 nan 0.000 0.429 341 Q N -0.788 118.969 119.800 -0.072 0.000 2.377 341 Q HA 0.226 4.563 4.340 -0.006 0.000 0.271 341 Q C -2.087 173.722 176.000 -0.319 0.000 1.077 341 Q CA -1.914 53.715 55.803 -0.290 0.000 0.820 341 Q CB 1.367 29.710 28.738 -0.658 0.000 1.347 341 Q HN -0.005 nan 8.270 nan 0.000 0.444 342 P HA 0.022 nan 4.420 nan 0.000 0.249 342 P C 0.967 178.108 177.300 -0.265 0.000 1.229 342 P CA 0.359 63.371 63.100 -0.146 0.000 0.788 342 P CB 0.159 31.921 31.700 0.103 0.000 1.072 343 G N 1.031 109.411 108.800 -0.701 0.000 2.505 343 G HA2 -0.285 3.672 3.960 -0.006 0.000 0.220 343 G HA3 -0.285 3.672 3.960 -0.006 0.000 0.220 343 G C 1.669 176.434 174.900 -0.225 0.000 1.145 343 G CA 0.922 45.573 45.100 -0.748 0.000 0.761 343 G HN 0.261 nan 8.290 nan 0.000 0.571 344 S N 0.754 116.370 115.700 -0.141 0.000 2.387 344 S HA 0.114 4.580 4.470 -0.006 0.000 0.226 344 S C 2.784 177.296 174.600 -0.147 0.000 1.026 344 S CA 1.034 59.262 58.200 0.047 0.000 0.972 344 S CB -0.293 63.032 63.200 0.207 0.000 0.814 344 S HN 0.603 nan 8.310 nan 0.000 0.477 345 A N 1.653 124.454 122.820 -0.030 0.000 1.902 345 A HA -0.028 4.288 4.320 -0.006 0.000 0.217 345 A C 2.035 179.612 177.584 -0.013 0.000 1.181 345 A CA 1.114 53.135 52.037 -0.028 0.000 0.623 345 A CB -0.736 18.292 19.000 0.046 0.000 0.818 345 A HN 0.470 nan 8.150 nan 0.000 0.443 346 I N -0.314 120.287 120.570 0.053 0.000 2.163 346 I HA -0.299 3.867 4.170 -0.006 0.000 0.243 346 I C 2.343 178.537 176.117 0.129 0.000 1.085 346 I CA 1.397 62.771 61.300 0.123 0.000 1.347 346 I CB -0.418 37.653 38.000 0.118 0.000 1.044 346 I HN 0.286 nan 8.210 nan 0.000 0.408 347 L N 0.281 121.558 121.223 0.090 0.000 2.141 347 L HA -0.215 4.122 4.340 -0.006 0.000 0.209 347 L C 2.343 179.279 176.870 0.109 0.000 1.094 347 L CA 1.465 56.423 54.840 0.197 0.000 0.763 347 L CB -0.877 41.355 42.059 0.290 0.000 0.908 347 L HN 0.395 nan 8.230 nan 0.000 0.437 348 N N 0.249 118.788 118.700 -0.268 0.000 2.025 348 N HA -0.183 4.553 4.740 -0.006 0.000 0.194 348 N C 1.829 177.337 175.510 -0.003 0.000 1.044 348 N CA 1.678 54.545 53.050 -0.305 0.000 0.851 348 N CB 0.108 38.287 38.487 -0.512 0.000 1.036 348 N HN 0.061 nan 8.380 nan 0.000 0.422 349 V N -0.102 119.833 119.914 0.034 0.000 2.427 349 V HA -0.173 3.943 4.120 -0.006 0.000 0.248 349 V C 1.891 178.063 176.094 0.129 0.000 1.051 349 V CA 1.575 63.919 62.300 0.075 0.000 1.048 349 V CB -0.853 31.016 31.823 0.077 0.000 0.666 349 V HN 0.525 nan 8.190 nan 0.000 0.456 350 W N 0.347 121.656 121.300 0.015 0.000 2.355 350 W HA -0.195 4.462 4.660 -0.006 0.000 0.309 350 W C 2.106 178.615 176.519 -0.016 0.000 1.206 350 W CA 1.554 58.910 57.345 0.018 0.000 1.284 350 W CB -0.390 29.089 29.460 0.030 0.000 1.145 350 W HN 0.171 nan 8.180 nan 0.000 0.502 351 L N 0.586 121.793 121.223 -0.027 0.000 2.093 351 L HA -0.149 4.187 4.340 -0.006 0.000 0.208 351 L C 2.425 179.161 176.870 -0.224 0.000 1.085 351 L CA 2.547 57.218 54.840 -0.282 0.000 0.755 351 L CB -1.386 40.679 42.059 0.010 0.000 0.904 351 L HN -0.044 nan 8.230 nan 0.000 0.435 352 T N -1.881 112.625 114.554 -0.080 0.000 2.746 352 T HA -0.189 4.157 4.350 -0.006 0.000 0.267 352 T C 2.110 176.744 174.700 -0.110 0.000 1.039 352 T CA 1.577 63.643 62.100 -0.056 0.000 1.142 352 T CB -0.297 68.570 68.868 -0.003 0.000 0.866 352 T HN 0.410 nan 8.240 nan 0.000 0.444 353 S N 0.509 116.121 115.700 -0.146 0.000 2.368 353 S HA -0.067 4.399 4.470 -0.006 0.000 0.224 353 S C 2.153 176.610 174.600 -0.239 0.000 1.029 353 S CA 0.782 58.891 58.200 -0.152 0.000 0.988 353 S CB -0.329 62.811 63.200 -0.100 0.000 0.838 353 S HN 0.175 nan 8.310 nan 0.000 0.462 354 M N 1.026 120.356 119.600 -0.449 0.000 2.108 354 M HA -0.006 4.471 4.480 -0.006 0.000 0.261 354 M C 2.110 178.223 176.300 -0.311 0.000 1.066 354 M CA 1.309 56.314 55.300 -0.491 0.000 1.107 354 M CB -1.452 30.587 32.600 -0.935 0.000 1.356 354 M HN 0.376 nan 8.290 nan 0.000 0.406 355 L N -0.623 120.448 121.223 -0.253 0.000 2.072 355 L HA -0.186 4.150 4.340 -0.006 0.000 0.205 355 L C 2.517 179.325 176.870 -0.103 0.000 1.079 355 L CA 1.053 55.805 54.840 -0.147 0.000 0.752 355 L CB -0.629 41.387 42.059 -0.072 0.000 0.906 355 L HN 0.286 nan 8.230 nan 0.000 0.436 356 K N 0.569 120.914 120.400 -0.093 0.000 2.097 356 K HA -0.171 4.145 4.320 -0.006 0.000 0.206 356 K C 2.218 178.774 176.600 -0.072 0.000 1.049 356 K CA 1.300 57.549 56.287 -0.063 0.000 0.933 356 K CB 0.067 32.536 32.500 -0.052 0.000 0.717 356 K HN 0.184 nan 8.250 nan 0.000 0.442 357 R N -0.244 120.200 120.500 -0.093 0.000 2.189 357 R HA -0.043 4.293 4.340 -0.006 0.000 0.218 357 R C 1.998 178.232 176.300 -0.110 0.000 1.074 357 R CA 1.632 57.684 56.100 -0.079 0.000 0.991 357 R CB 0.074 30.336 30.300 -0.064 0.000 0.883 357 R HN 0.478 nan 8.270 nan 0.000 0.457 358 T N -3.169 111.286 114.554 -0.165 0.000 3.518 358 T HA 0.081 4.427 4.350 -0.006 0.000 0.211 358 T C 1.860 176.442 174.700 -0.196 0.000 0.940 358 T CA 0.193 62.149 62.100 -0.241 0.000 1.307 358 T CB -0.623 68.007 68.868 -0.397 0.000 1.392 358 T HN -0.134 nan 8.240 nan 0.000 0.382 359 V N 2.315 122.122 119.914 -0.178 0.000 2.261 359 V HA -0.125 3.991 4.120 -0.006 0.000 0.246 359 V C 2.982 179.009 176.094 -0.112 0.000 1.047 359 V CA 1.726 63.932 62.300 -0.158 0.000 1.015 359 V CB -1.136 30.619 31.823 -0.113 0.000 0.642 359 V HN 0.422 nan 8.190 nan 0.000 0.446 360 V N 0.569 120.454 119.914 -0.048 0.000 2.332 360 V HA -0.287 3.829 4.120 -0.006 0.000 0.248 360 V C 2.738 178.809 176.094 -0.040 0.000 1.055 360 V CA 2.166 64.461 62.300 -0.008 0.000 1.038 360 V CB -1.211 30.614 31.823 0.002 0.000 0.651 360 V HN 0.574 nan 8.190 nan 0.000 0.450 361 A N -0.320 122.464 122.820 -0.061 0.000 2.015 361 A HA 0.030 4.346 4.320 -0.006 0.000 0.219 361 A C 2.276 179.821 177.584 -0.065 0.000 1.163 361 A CA 1.680 53.683 52.037 -0.058 0.000 0.646 361 A CB -0.500 18.464 19.000 -0.059 0.000 0.806 361 A HN 0.582 nan 8.150 nan 0.000 0.448 362 A N -0.865 121.903 122.820 -0.088 0.000 2.169 362 A HA 0.414 4.730 4.320 -0.006 0.000 0.212 362 A C 0.668 178.199 177.584 -0.088 0.000 1.153 362 A CA 0.520 52.502 52.037 -0.091 0.000 0.756 362 A CB -0.168 18.760 19.000 -0.120 0.000 0.813 362 A HN 0.269 nan 8.150 nan 0.000 0.471 363 V N 2.246 122.112 119.914 -0.080 0.000 2.435 363 V HA 0.320 4.436 4.120 -0.006 0.000 0.290 363 V C -2.384 173.700 176.094 -0.016 0.000 1.030 363 V CA -2.029 60.236 62.300 -0.057 0.000 0.881 363 V CB 1.441 33.235 31.823 -0.049 0.000 0.983 363 V HN 0.223 nan 8.190 nan 0.000 0.445 364 P HA 0.189 nan 4.420 nan 0.000 0.269 364 P C -0.404 176.908 177.300 0.019 0.000 1.209 364 P CA -0.195 62.922 63.100 0.028 0.000 0.776 364 P CB 0.492 32.231 31.700 0.064 0.000 0.876 365 M N 4.081 123.641 119.600 -0.067 0.000 2.238 365 M HA 0.140 4.616 4.480 -0.006 0.000 0.347 365 M C -1.323 174.790 176.300 -0.311 0.000 1.173 365 M CA -1.049 54.138 55.300 -0.189 0.000 1.147 365 M CB 0.220 32.734 32.600 -0.144 0.000 1.547 365 M HN 0.268 nan 8.290 nan 0.000 0.455 366 P HA 0.183 nan 4.420 nan 0.000 0.269 366 P C 0.152 176.912 177.300 -0.900 0.000 1.478 366 P CA 0.230 62.946 63.100 -0.641 0.000 1.045 366 P CB -0.060 31.306 31.700 -0.557 0.000 1.512 367 F N 1.626 121.239 119.950 -0.561 0.000 2.558 367 F HA -0.064 4.459 4.527 -0.006 0.000 0.298 367 F C 2.108 177.581 175.800 -0.544 0.000 1.119 367 F CA 0.777 58.175 58.000 -1.003 0.000 1.451 367 F CB -0.773 37.669 39.000 -0.929 0.000 1.091 367 F HN 0.005 nan 8.300 nan 0.000 0.563 368 D N 0.470 120.782 120.400 -0.147 0.000 2.182 368 D HA -0.209 4.427 4.640 -0.006 0.000 0.201 368 D C 1.693 178.016 176.300 0.038 0.000 0.986 368 D CA 0.986 54.998 54.000 0.019 0.000 0.847 368 D CB -0.340 40.448 40.800 -0.020 0.000 0.942 368 D HN 0.090 nan 8.370 nan 0.000 0.467 369 K N -0.102 120.259 120.400 -0.065 0.000 2.360 369 K HA -0.056 4.260 4.320 -0.006 0.000 0.201 369 K C 1.538 178.218 176.600 0.133 0.000 1.046 369 K CA 0.321 56.617 56.287 0.015 0.000 0.945 369 K CB -0.540 31.953 32.500 -0.012 0.000 0.750 369 K HN 0.331 nan 8.250 nan 0.000 0.464 370 W N -0.809 120.394 121.300 -0.162 0.000 2.595 370 W HA -0.031 4.626 4.660 -0.006 0.000 0.257 370 W C 0.639 176.884 176.519 -0.457 0.000 1.267 370 W CA 0.505 57.633 57.345 -0.361 0.000 1.300 370 W CB -0.554 28.429 29.460 -0.795 0.000 1.120 370 W HN 0.101 nan 8.180 nan 0.000 0.618 371 Y N -0.374 120.068 120.300 0.237 0.000 2.557 371 Y HA 0.064 4.610 4.550 -0.006 0.000 0.247 371 Y C 2.060 178.010 175.900 0.084 0.000 1.164 371 Y CA 0.380 58.573 58.100 0.155 0.000 1.218 371 Y CB -0.484 38.041 38.460 0.108 0.000 1.210 371 Y HN -0.147 nan 8.280 nan 0.000 0.529 372 S N -0.799 115.001 115.700 0.166 0.000 2.548 372 S HA 0.392 4.858 4.470 -0.006 0.000 0.215 372 S C 1.072 175.720 174.600 0.081 0.000 0.976 372 S CA -0.047 58.212 58.200 0.098 0.000 0.908 372 S CB -0.052 63.188 63.200 0.067 0.000 0.781 372 S HN 0.184 nan 8.310 nan 0.000 0.519 373 A N 2.129 125.004 122.820 0.092 0.000 2.354 373 A HA 0.605 4.921 4.320 -0.006 0.000 0.269 373 A C 1.292 178.931 177.584 0.092 0.000 1.109 373 A CA -0.043 52.044 52.037 0.083 0.000 0.800 373 A CB 0.522 19.566 19.000 0.074 0.000 1.045 373 A HN 0.447 nan 8.150 nan 0.000 0.489 374 S N 1.384 117.156 115.700 0.120 0.000 2.478 374 S HA 0.369 4.835 4.470 -0.006 0.000 0.222 374 S C 1.291 175.983 174.600 0.154 0.000 1.008 374 S CA 0.982 59.286 58.200 0.174 0.000 0.928 374 S CB 0.060 63.422 63.200 0.269 0.000 0.781 374 S HN 2.530 nan 8.310 nan 0.000 0.518 375 G N -0.210 108.636 108.800 0.077 0.000 2.184 375 G HA2 -0.212 3.744 3.960 -0.006 0.000 0.206 375 G HA3 -0.212 3.744 3.960 -0.006 0.000 0.206 375 G C 0.246 175.041 174.900 -0.175 0.000 0.995 375 G CA 0.176 45.227 45.100 -0.082 0.000 0.651 375 G HN 0.531 nan 8.290 nan 0.000 0.511 376 Y N 0.761 121.098 120.300 0.061 0.000 2.481 376 Y HA 0.428 4.974 4.550 -0.006 0.000 0.247 376 Y C 1.119 177.044 175.900 0.041 0.000 1.151 376 Y CA -0.200 57.941 58.100 0.069 0.000 1.238 376 Y CB 0.598 39.122 38.460 0.107 0.000 1.179 376 Y HN 0.228 nan 8.280 nan 0.000 0.524 377 E N 1.382 121.672 120.200 0.149 0.000 2.480 377 E HA 0.161 4.507 4.350 -0.006 0.000 0.258 377 E C 0.465 177.096 176.600 0.051 0.000 0.984 377 E CA 0.573 57.028 56.400 0.092 0.000 0.930 377 E CB 0.369 30.111 29.700 0.071 0.000 0.936 377 E HN 0.304 nan 8.360 nan 0.000 0.466 378 T N -0.734 113.843 114.554 0.038 0.000 2.671 378 T HA 0.724 5.070 4.350 -0.006 0.000 0.300 378 T C -0.015 174.692 174.700 0.013 0.000 1.238 378 T CA -0.615 61.489 62.100 0.008 0.000 1.020 378 T CB 1.479 70.326 68.868 -0.033 0.000 1.503 378 T HN 0.420 nan 8.240 nan 0.000 0.497 379 T N -2.329 112.229 114.554 0.007 0.000 2.676 379 T HA 0.452 4.798 4.350 -0.006 0.000 0.269 379 T C 0.978 175.678 174.700 -0.001 0.000 0.952 379 T CA -0.739 61.367 62.100 0.010 0.000 1.040 379 T CB 1.159 70.042 68.868 0.025 0.000 1.352 379 T HN 0.584 nan 8.240 nan 0.000 0.554 380 Q N -0.106 119.697 119.800 0.006 0.000 2.167 380 Q HA -0.127 4.210 4.340 -0.006 0.000 0.202 380 Q C 1.134 177.147 176.000 0.022 0.000 0.970 380 Q CA 1.476 57.279 55.803 0.000 0.000 0.855 380 Q CB -0.215 28.524 28.738 0.001 0.000 0.911 380 Q HN 0.579 nan 8.270 nan 0.000 0.438 381 D N -0.561 119.867 120.400 0.046 0.000 2.347 381 D HA 0.060 4.696 4.640 -0.006 0.000 0.215 381 D C 0.829 177.148 176.300 0.032 0.000 0.976 381 D CA 1.031 55.073 54.000 0.071 0.000 0.884 381 D CB 0.302 41.152 40.800 0.083 0.000 0.915 381 D HN 0.374 nan 8.370 nan 0.000 0.526 382 G N 0.933 109.735 108.800 0.004 0.000 2.712 382 G HA2 -0.164 3.792 3.960 -0.006 0.000 0.683 382 G HA3 -0.164 3.792 3.960 -0.006 0.000 0.683 382 G C -2.672 172.216 174.900 -0.019 0.000 1.320 382 G CA -1.128 43.951 45.100 -0.035 0.000 0.847 382 G HN -0.080 nan 8.290 nan 0.000 0.553 383 P HA 0.158 nan 4.420 nan 0.000 0.266 383 P C 1.285 178.696 177.300 0.185 0.000 1.193 383 P CA 0.944 64.046 63.100 0.002 0.000 0.770 383 P CB 0.354 31.966 31.700 -0.146 0.000 0.836 384 T N -0.895 113.775 114.554 0.193 0.000 3.100 384 T HA 0.347 4.693 4.350 -0.006 0.000 0.253 384 T C 0.855 175.720 174.700 0.276 0.000 1.118 384 T CA 0.557 62.793 62.100 0.227 0.000 1.058 384 T CB -0.262 68.701 68.868 0.158 0.000 0.953 384 T HN 0.533 nan 8.240 nan 0.000 0.515 385 G N 1.139 110.139 108.800 0.334 0.000 2.772 385 G HA2 0.495 4.451 3.960 -0.006 0.000 0.284 385 G HA3 0.495 4.451 3.960 -0.006 0.000 0.284 385 G C -0.813 174.327 174.900 0.400 0.000 1.217 385 G CA -0.253 44.980 45.100 0.222 0.000 0.831 385 G HN 0.495 nan 8.290 nan 0.000 0.523 386 S N -0.565 115.288 115.700 0.255 0.000 2.585 386 S HA 0.509 4.975 4.470 -0.006 0.000 0.273 386 S C -0.097 174.642 174.600 0.232 0.000 1.339 386 S CA -0.310 58.089 58.200 0.332 0.000 1.028 386 S CB 1.078 64.430 63.200 0.254 0.000 0.906 386 S HN 0.506 nan 8.310 nan 0.000 0.528 387 L N 2.719 124.088 121.223 0.244 0.000 2.349 387 L HA 0.510 4.846 4.340 -0.006 0.000 0.275 387 L C 0.462 177.268 176.870 -0.106 0.000 1.115 387 L CA 0.447 55.319 54.840 0.054 0.000 0.820 387 L CB 0.404 42.532 42.059 0.115 0.000 1.135 387 L HN 1.005 nan 8.230 nan 0.000 0.445 388 N N 1.606 120.205 118.700 -0.167 0.000 2.902 388 N HA 0.562 5.298 4.740 -0.006 0.000 0.268 388 N C -1.289 174.097 175.510 -0.207 0.000 1.450 388 N CA -0.868 52.036 53.050 -0.244 0.000 0.819 388 N CB 1.406 39.769 38.487 -0.207 0.000 1.540 388 N HN 0.380 nan 8.380 nan 0.000 0.545 389 I N 1.665 122.119 120.570 -0.194 0.000 2.325 389 I HA 0.154 4.320 4.170 -0.006 0.000 0.291 389 I C 0.543 176.615 176.117 -0.075 0.000 1.019 389 I CA -0.283 60.950 61.300 -0.112 0.000 1.302 389 I CB 1.185 39.121 38.000 -0.107 0.000 1.401 389 I HN 0.478 nan 8.210 nan 0.000 0.485 390 S N 5.309 120.995 115.700 -0.023 0.000 2.576 390 S HA 0.075 4.541 4.470 -0.006 0.000 0.272 390 S C 1.451 176.075 174.600 0.041 0.000 1.352 390 S CA -0.715 57.488 58.200 0.005 0.000 1.021 390 S CB 1.173 64.399 63.200 0.044 0.000 0.887 390 S HN 0.461 nan 8.310 nan 0.000 0.542 391 V N 1.971 121.917 119.914 0.054 0.000 2.282 391 V HA -0.062 4.054 4.120 -0.006 0.000 0.249 391 V C 2.764 178.984 176.094 0.211 0.000 1.057 391 V CA 2.060 64.431 62.300 0.118 0.000 1.032 391 V CB -2.352 29.595 31.823 0.208 0.000 0.645 391 V HN 1.007 nan 8.190 nan 0.000 0.447 392 G N 0.218 109.165 108.800 0.245 0.000 2.491 392 G HA2 -0.234 3.723 3.960 -0.006 0.000 0.218 392 G HA3 -0.234 3.723 3.960 -0.006 0.000 0.218 392 G C 1.739 176.739 174.900 0.166 0.000 1.180 392 G CA 1.552 46.794 45.100 0.237 0.000 0.774 392 G HN 0.791 nan 8.290 nan 0.000 0.562 393 A N 0.382 123.304 122.820 0.170 0.000 1.972 393 A HA 0.027 4.343 4.320 -0.006 0.000 0.219 393 A C 2.312 180.091 177.584 0.325 0.000 1.169 393 A CA 2.007 54.206 52.037 0.270 0.000 0.635 393 A CB -0.292 18.882 19.000 0.291 0.000 0.810 393 A HN 0.415 nan 8.150 nan 0.000 0.446 394 K N -0.507 120.009 120.400 0.193 0.000 2.103 394 K HA 0.072 4.388 4.320 -0.006 0.000 0.204 394 K C 1.699 178.419 176.600 0.200 0.000 1.052 394 K CA 1.243 57.626 56.287 0.160 0.000 0.945 394 K CB -0.258 32.279 32.500 0.061 0.000 0.722 394 K HN 0.511 nan 8.250 nan 0.000 0.443 395 I N 0.870 121.537 120.570 0.161 0.000 2.226 395 I HA -0.259 3.907 4.170 -0.006 0.000 0.245 395 I C 2.213 178.403 176.117 0.120 0.000 1.100 395 I CA 0.685 62.051 61.300 0.111 0.000 1.374 395 I CB -0.147 37.882 38.000 0.049 0.000 1.057 395 I HN 0.121 nan 8.210 nan 0.000 0.413 396 L N 0.070 121.388 121.223 0.158 0.000 2.131 396 L HA -0.258 4.078 4.340 -0.006 0.000 0.210 396 L C 2.423 179.494 176.870 0.335 0.000 1.092 396 L CA 1.802 56.745 54.840 0.172 0.000 0.759 396 L CB -0.855 41.283 42.059 0.132 0.000 0.903 396 L HN 0.259 nan 8.230 nan 0.000 0.435 397 Y N 0.017 120.487 120.300 0.283 0.000 2.293 397 Y HA -0.162 4.385 4.550 -0.006 0.000 0.291 397 Y C 2.313 178.287 175.900 0.125 0.000 1.137 397 Y CA 1.674 59.894 58.100 0.200 0.000 1.202 397 Y CB 0.055 38.529 38.460 0.024 0.000 0.990 397 Y HN 0.271 nan 8.280 nan 0.000 0.537 398 E N 0.417 120.697 120.200 0.134 0.000 2.047 398 E HA -0.173 4.173 4.350 -0.006 0.000 0.191 398 E C 2.450 179.058 176.600 0.014 0.000 0.987 398 E CA 1.112 57.538 56.400 0.043 0.000 0.799 398 E CB -0.774 28.979 29.700 0.090 0.000 0.752 398 E HN 0.558 nan 8.360 nan 0.000 0.449 399 A N 1.480 124.339 122.820 0.064 0.000 1.908 399 A HA -0.158 4.158 4.320 -0.006 0.000 0.218 399 A C 2.480 180.205 177.584 0.236 0.000 1.181 399 A CA 2.035 54.142 52.037 0.117 0.000 0.627 399 A CB -0.819 18.198 19.000 0.028 0.000 0.818 399 A HN 0.218 nan 8.150 nan 0.000 0.445 400 V N -3.016 117.029 119.914 0.219 0.000 3.305 400 V HA -0.082 4.034 4.120 -0.006 0.000 0.269 400 V C 1.584 177.667 176.094 -0.019 0.000 1.157 400 V CA 1.591 64.004 62.300 0.189 0.000 1.157 400 V CB -0.637 31.351 31.823 0.275 0.000 0.772 400 V HN 0.485 nan 8.190 nan 0.000 0.498 401 Q N 1.045 120.769 119.800 -0.127 0.000 2.424 401 Q HA 0.254 4.590 4.340 -0.006 0.000 0.204 401 Q C 1.656 177.622 176.000 -0.056 0.000 0.933 401 Q CA 0.872 56.580 55.803 -0.159 0.000 0.929 401 Q CB 0.243 28.845 28.738 -0.227 0.000 1.037 401 Q HN 0.900 nan 8.270 nan 0.000 0.511 402 G N 2.562 111.359 108.800 -0.004 0.000 2.583 402 G HA2 -0.389 3.568 3.960 -0.006 0.000 0.292 402 G HA3 -0.389 3.568 3.960 -0.006 0.000 0.292 402 G C 0.056 174.960 174.900 0.006 0.000 1.203 402 G CA 0.482 45.589 45.100 0.012 0.000 0.987 402 G HN 0.474 nan 8.290 nan 0.000 0.554 403 D N 0.397 120.798 120.400 0.003 0.000 2.336 403 D HA 0.325 4.961 4.640 -0.006 0.000 0.229 403 D C 1.593 177.894 176.300 0.001 0.000 1.061 403 D CA 0.901 54.904 54.000 0.005 0.000 0.875 403 D CB 0.409 41.212 40.800 0.006 0.000 0.904 403 D HN 0.424 nan 8.370 nan 0.000 0.525 404 K N 0.451 120.846 120.400 -0.008 0.000 2.400 404 K HA 0.105 4.422 4.320 -0.006 0.000 0.194 404 K C 0.365 176.963 176.600 -0.004 0.000 1.033 404 K CA -0.036 56.245 56.287 -0.009 0.000 1.021 404 K CB 0.169 32.656 32.500 -0.021 0.000 0.808 404 K HN 0.088 nan 8.250 nan 0.000 0.505 405 S N 0.957 116.654 115.700 -0.005 0.000 2.545 405 S HA 0.233 4.699 4.470 -0.006 0.000 0.275 405 S C -1.748 172.865 174.600 0.023 0.000 1.299 405 S CA -1.431 56.776 58.200 0.011 0.000 1.048 405 S CB 0.803 64.008 63.200 0.009 0.000 0.938 405 S HN 0.121 nan 8.310 nan 0.000 0.496 406 P HA 0.154 nan 4.420 nan 0.000 0.241 406 P C -0.203 177.118 177.300 0.034 0.000 1.191 406 P CA 0.215 63.335 63.100 0.034 0.000 0.771 406 P CB -0.064 31.660 31.700 0.041 0.000 0.929 407 I N 2.516 123.108 120.570 0.037 0.000 2.301 407 I HA 0.259 4.425 4.170 -0.006 0.000 0.292 407 I C -2.306 173.826 176.117 0.024 0.000 1.046 407 I CA -3.655 57.665 61.300 0.034 0.000 1.282 407 I CB 0.175 38.200 38.000 0.041 0.000 1.409 407 I HN -0.214 nan 8.210 nan 0.000 0.484 408 P HA 0.010 nan 4.420 nan 0.000 0.262 408 P C -0.444 176.863 177.300 0.010 0.000 1.182 408 P CA -0.051 63.058 63.100 0.015 0.000 0.761 408 P CB 0.334 32.042 31.700 0.012 0.000 0.795 409 Q N 2.583 122.390 119.800 0.012 0.000 2.566 409 Q HA 0.248 4.584 4.340 -0.006 0.000 0.221 409 Q C 1.210 177.210 176.000 0.000 0.000 1.195 409 Q CA -0.257 55.550 55.803 0.006 0.000 0.967 409 Q CB 0.746 29.496 28.738 0.020 0.000 1.337 409 Q HN 0.477 nan 8.270 nan 0.000 0.553 410 A N 2.416 125.231 122.820 -0.009 0.000 1.933 410 A HA -0.042 4.274 4.320 -0.006 0.000 0.218 410 A C 1.030 178.604 177.584 -0.017 0.000 1.175 410 A CA 1.201 53.231 52.037 -0.012 0.000 0.628 410 A CB 0.162 19.152 19.000 -0.017 0.000 0.814 410 A HN 0.437 nan 8.150 nan 0.000 0.444 411 V N -1.420 118.477 119.914 -0.028 0.000 2.555 411 V HA 0.515 4.631 4.120 -0.006 0.000 0.302 411 V C -0.866 175.212 176.094 -0.026 0.000 1.038 411 V CA -1.201 61.081 62.300 -0.030 0.000 0.887 411 V CB 1.604 33.397 31.823 -0.050 0.000 0.991 411 V HN 0.240 nan 8.190 nan 0.000 0.434 412 D N 2.790 123.186 120.400 -0.007 0.000 2.339 412 D HA 0.227 4.863 4.640 -0.006 0.000 0.256 412 D C 0.798 177.080 176.300 -0.029 0.000 1.214 412 D CA 0.087 54.098 54.000 0.018 0.000 0.877 412 D CB 1.186 42.020 40.800 0.056 0.000 1.111 412 D HN 0.588 nan 8.370 nan 0.000 0.478 413 L N 3.199 124.361 121.223 -0.102 0.000 2.313 413 L HA -0.042 4.295 4.340 -0.006 0.000 0.214 413 L C 1.276 177.930 176.870 -0.361 0.000 1.119 413 L CA 0.401 55.082 54.840 -0.265 0.000 0.809 413 L CB -0.159 41.661 42.059 -0.397 0.000 0.933 413 L HN 0.462 nan 8.230 nan 0.000 0.449 414 F N 0.188 120.132 119.950 -0.011 0.000 2.811 414 F HA 0.207 4.731 4.527 -0.006 0.000 0.301 414 F C 1.633 177.429 175.800 -0.007 0.000 1.151 414 F CA 0.345 58.341 58.000 -0.006 0.000 1.412 414 F CB -0.455 38.548 39.000 0.005 0.000 1.113 414 F HN 0.066 nan 8.300 nan 0.000 0.579 415 A N 0.399 123.281 122.820 0.103 0.000 2.687 415 A HA 0.036 4.352 4.320 -0.006 0.000 0.299 415 A C 1.763 179.389 177.584 0.070 0.000 1.497 415 A CA 0.986 53.058 52.037 0.059 0.000 0.751 415 A CB -1.909 17.108 19.000 0.028 0.000 1.048 415 A HN 1.427 nan 8.150 nan 0.000 0.464 416 G N -1.792 107.059 108.800 0.084 0.000 2.225 416 G HA2 -0.293 3.663 3.960 -0.006 0.000 0.254 416 G HA3 -0.293 3.663 3.960 -0.006 0.000 0.254 416 G C 0.175 175.109 174.900 0.058 0.000 0.988 416 G CA 1.004 46.139 45.100 0.059 0.000 0.625 416 G HN 1.294 nan 8.290 nan 0.000 0.527 417 K N 1.701 122.150 120.400 0.083 0.000 2.174 417 K HA 0.496 4.812 4.320 -0.006 0.000 0.275 417 K C -2.408 174.201 176.600 0.014 0.000 1.015 417 K CA -1.762 54.558 56.287 0.055 0.000 0.933 417 K CB 1.110 33.653 32.500 0.073 0.000 1.025 417 K HN 0.059 nan 8.250 nan 0.000 0.463 418 P HA -0.046 nan 4.420 nan 0.000 0.266 418 P C 0.231 177.411 177.300 -0.200 0.000 1.195 418 P CA 0.168 63.207 63.100 -0.101 0.000 0.768 418 P CB 0.652 32.313 31.700 -0.065 0.000 0.838 419 Q N 1.526 121.080 119.800 -0.410 0.000 2.096 419 Q HA -0.305 4.031 4.340 -0.006 0.000 0.208 419 Q C 2.167 178.009 176.000 -0.262 0.000 0.993 419 Q CA 2.213 57.601 55.803 -0.691 0.000 0.862 419 Q CB -0.167 28.177 28.738 -0.656 0.000 0.915 419 Q HN 0.604 nan 8.270 nan 0.000 0.416 420 Q N 0.604 120.321 119.800 -0.137 0.000 2.152 420 Q HA -0.278 4.058 4.340 -0.006 0.000 0.206 420 Q C 1.833 177.840 176.000 0.011 0.000 0.985 420 Q CA 1.970 57.754 55.803 -0.031 0.000 0.863 420 Q CB -0.171 28.547 28.738 -0.032 0.000 0.904 420 Q HN 0.437 nan 8.270 nan 0.000 0.422 421 E N -0.442 119.756 120.200 -0.005 0.000 2.106 421 E HA -0.148 4.198 4.350 -0.006 0.000 0.192 421 E C 1.878 178.521 176.600 0.070 0.000 0.984 421 E CA 1.313 57.731 56.400 0.031 0.000 0.806 421 E CB 0.130 29.841 29.700 0.020 0.000 0.750 421 E HN 0.358 nan 8.360 nan 0.000 0.458 422 V N 0.573 120.542 119.914 0.092 0.000 2.453 422 V HA -0.188 3.928 4.120 -0.006 0.000 0.247 422 V C 2.405 178.612 176.094 0.188 0.000 1.048 422 V CA 1.166 63.562 62.300 0.160 0.000 1.049 422 V CB -0.080 31.929 31.823 0.310 0.000 0.672 422 V HN 0.199 nan 8.190 nan 0.000 0.457 423 V N -0.116 119.931 119.914 0.223 0.000 2.407 423 V HA -0.228 3.888 4.120 -0.006 0.000 0.248 423 V C 2.234 178.529 176.094 0.335 0.000 1.055 423 V CA 1.875 64.397 62.300 0.372 0.000 1.049 423 V CB -0.453 31.575 31.823 0.342 0.000 0.662 423 V HN 0.446 nan 8.190 nan 0.000 0.455 424 L N -0.319 121.019 121.223 0.191 0.000 2.131 424 L HA 0.001 4.337 4.340 -0.006 0.000 0.206 424 L C 2.686 179.646 176.870 0.149 0.000 1.087 424 L CA 1.173 56.100 54.840 0.145 0.000 0.767 424 L CB -0.706 41.401 42.059 0.081 0.000 0.917 424 L HN 0.314 nan 8.230 nan 0.000 0.441 425 A N 0.283 123.182 122.820 0.132 0.000 1.902 425 A HA -0.183 4.133 4.320 -0.006 0.000 0.217 425 A C 2.504 180.169 177.584 0.136 0.000 1.181 425 A CA 1.797 53.901 52.037 0.113 0.000 0.623 425 A CB -0.696 18.355 19.000 0.085 0.000 0.818 425 A HN 0.380 nan 8.150 nan 0.000 0.443 426 A N -0.620 122.294 122.820 0.157 0.000 1.969 426 A HA 0.042 4.358 4.320 -0.006 0.000 0.218 426 A C 2.112 179.888 177.584 0.320 0.000 1.169 426 A CA 1.320 53.439 52.037 0.135 0.000 0.635 426 A CB -0.499 18.440 19.000 -0.102 0.000 0.810 426 A HN 0.465 nan 8.150 nan 0.000 0.445 427 L N -0.903 120.562 121.223 0.404 0.000 2.217 427 L HA -0.132 4.204 4.340 -0.006 0.000 0.211 427 L C 2.558 179.595 176.870 0.278 0.000 1.107 427 L CA 1.478 56.534 54.840 0.360 0.000 0.783 427 L CB -0.219 41.977 42.059 0.228 0.000 0.919 427 L HN 0.593 nan 8.230 nan 0.000 0.442 428 E N -0.045 120.290 120.200 0.224 0.000 2.158 428 E HA -0.197 4.149 4.350 -0.006 0.000 0.191 428 E C 1.382 178.120 176.600 0.229 0.000 0.982 428 E CA 0.834 57.366 56.400 0.221 0.000 0.823 428 E CB 0.244 30.035 29.700 0.152 0.000 0.766 428 E HN 0.410 nan 8.360 nan 0.000 0.468 429 D N 0.059 120.568 120.400 0.182 0.000 2.117 429 D HA -0.114 4.522 4.640 -0.006 0.000 0.198 429 D C 1.836 178.228 176.300 0.154 0.000 0.982 429 D CA 1.471 55.552 54.000 0.134 0.000 0.828 429 D CB -0.354 40.500 40.800 0.090 0.000 0.967 429 D HN 0.165 nan 8.370 nan 0.000 0.464 430 T N 0.332 115.019 114.554 0.222 0.000 2.737 430 T HA -0.158 4.189 4.350 -0.006 0.000 0.265 430 T C 1.679 176.537 174.700 0.262 0.000 1.038 430 T CA 0.795 63.037 62.100 0.237 0.000 1.144 430 T CB -0.383 68.675 68.868 0.318 0.000 0.866 430 T HN 0.372 nan 8.240 nan 0.000 0.434 431 W N 2.492 123.886 121.300 0.156 0.000 2.342 431 W HA -0.133 4.523 4.660 -0.006 0.000 0.297 431 W C 2.132 178.731 176.519 0.134 0.000 1.213 431 W CA 1.528 58.978 57.345 0.174 0.000 1.251 431 W CB -0.174 29.370 29.460 0.139 0.000 1.136 431 W HN 0.329 nan 8.180 nan 0.000 0.526 432 E N -0.112 120.127 120.200 0.066 0.000 2.051 432 E HA -0.191 4.155 4.350 -0.006 0.000 0.192 432 E C 1.939 178.448 176.600 -0.152 0.000 0.991 432 E CA 2.345 58.708 56.400 -0.062 0.000 0.799 432 E CB -0.407 29.326 29.700 0.054 0.000 0.748 432 E HN 0.101 nan 8.360 nan 0.000 0.449 433 T N 2.005 116.504 114.554 -0.090 0.000 2.674 433 T HA -0.113 4.233 4.350 -0.006 0.000 0.265 433 T C 2.068 176.626 174.700 -0.238 0.000 1.039 433 T CA 1.382 63.403 62.100 -0.131 0.000 1.150 433 T CB -0.247 68.581 68.868 -0.066 0.000 0.864 433 T HN 0.148 nan 8.240 nan 0.000 0.427 434 L N 1.455 122.534 121.223 -0.241 0.000 2.056 434 L HA -0.075 4.261 4.340 -0.006 0.000 0.207 434 L C 2.976 179.486 176.870 -0.600 0.000 1.078 434 L CA 1.460 56.054 54.840 -0.412 0.000 0.749 434 L CB -0.793 41.075 42.059 -0.317 0.000 0.901 434 L HN 0.394 nan 8.230 nan 0.000 0.433 435 S N -0.623 114.720 115.700 -0.595 0.000 2.402 435 S HA -0.199 4.267 4.470 -0.006 0.000 0.229 435 S C 2.038 176.403 174.600 -0.392 0.000 1.021 435 S CA 0.802 58.651 58.200 -0.586 0.000 0.974 435 S CB -0.260 62.258 63.200 -1.136 0.000 0.800 435 S HN 0.282 nan 8.310 nan 0.000 0.484 436 K N 1.512 121.691 120.400 -0.369 0.000 2.097 436 K HA -0.079 4.237 4.320 -0.006 0.000 0.206 436 K C 2.570 178.979 176.600 -0.318 0.000 1.049 436 K CA 1.386 57.511 56.287 -0.270 0.000 0.933 436 K CB -0.190 32.177 32.500 -0.221 0.000 0.717 436 K HN 0.597 nan 8.250 nan 0.000 0.442 437 R N -1.036 119.175 120.500 -0.481 0.000 2.112 437 R HA -0.069 4.267 4.340 -0.006 0.000 0.216 437 R C 1.211 177.085 176.300 -0.710 0.000 1.080 437 R CA 1.063 56.777 56.100 -0.644 0.000 0.996 437 R CB -0.026 29.744 30.300 -0.883 0.000 0.902 437 R HN 0.101 nan 8.270 nan 0.000 0.449 438 Y N -0.227 119.797 120.300 -0.460 0.000 2.442 438 Y HA 0.425 4.971 4.550 -0.006 0.000 0.250 438 Y C 1.004 176.798 175.900 -0.175 0.000 1.113 438 Y CA 0.344 58.169 58.100 -0.457 0.000 1.273 438 Y CB 1.025 38.812 38.460 -1.120 0.000 1.138 438 Y HN 0.393 nan 8.280 nan 0.000 0.522 439 G N 0.554 109.346 108.800 -0.014 0.000 2.631 439 G HA2 -0.251 3.706 3.960 -0.006 0.000 0.504 439 G HA3 -0.251 3.706 3.960 -0.006 0.000 0.504 439 G C 0.136 175.200 174.900 0.274 0.000 1.306 439 G CA -0.182 44.985 45.100 0.112 0.000 0.897 439 G HN 0.143 nan 8.290 nan 0.000 0.520 440 N N 0.314 119.172 118.700 0.264 0.000 2.424 440 N HA -0.008 4.729 4.740 -0.006 0.000 0.178 440 N C 0.823 176.544 175.510 0.351 0.000 1.060 440 N CA 0.415 53.685 53.050 0.367 0.000 0.901 440 N CB 0.033 38.716 38.487 0.326 0.000 0.979 440 N HN 0.489 nan 8.380 nan 0.000 0.451 441 N N 1.553 120.407 118.700 0.257 0.000 2.602 441 N HA 0.072 4.808 4.740 -0.006 0.000 0.238 441 N C 1.037 176.482 175.510 -0.108 0.000 1.084 441 N CA -0.095 53.011 53.050 0.094 0.000 0.952 441 N CB 0.532 39.074 38.487 0.091 0.000 1.244 441 N HN -0.255 nan 8.380 nan 0.000 0.512 442 V N 2.247 121.903 119.914 -0.430 0.000 2.439 442 V HA -0.250 3.867 4.120 -0.006 0.000 0.253 442 V C 1.986 177.694 176.094 -0.644 0.000 1.074 442 V CA 1.779 63.408 62.300 -1.117 0.000 1.076 442 V CB -0.502 30.809 31.823 -0.852 0.000 0.664 442 V HN 0.602 nan 8.190 nan 0.000 0.461 443 S N 0.635 116.160 115.700 -0.293 0.000 2.447 443 S HA -0.127 4.339 4.470 -0.006 0.000 0.233 443 S C 1.400 175.962 174.600 -0.064 0.000 1.006 443 S CA 1.371 59.478 58.200 -0.154 0.000 0.957 443 S CB -0.531 62.613 63.200 -0.093 0.000 0.773 443 S HN 0.974 nan 8.310 nan 0.000 0.507 444 N N -0.970 117.733 118.700 0.005 0.000 2.238 444 N HA 0.018 4.754 4.740 -0.006 0.000 0.222 444 N C -0.936 174.686 175.510 0.186 0.000 1.133 444 N CA -0.423 52.678 53.050 0.085 0.000 0.854 444 N CB 0.080 38.622 38.487 0.090 0.000 1.041 444 N HN 0.189 nan 8.380 nan 0.000 0.510 445 W N 2.567 123.795 121.300 -0.120 0.000 2.381 445 W HA 0.233 4.889 4.660 -0.006 0.000 0.321 445 W C 0.363 176.710 176.519 -0.287 0.000 1.407 445 W CA -0.748 56.429 57.345 -0.280 0.000 1.274 445 W CB 0.352 29.594 29.460 -0.364 0.000 1.310 445 W HN -0.103 nan 8.180 nan 0.000 0.551 446 K N 3.239 123.558 120.400 -0.134 0.000 2.419 446 K HA 0.218 4.534 4.320 -0.006 0.000 0.244 446 K C 0.235 176.726 176.600 -0.182 0.000 1.045 446 K CA -0.317 55.918 56.287 -0.087 0.000 1.004 446 K CB 0.844 33.340 32.500 -0.007 0.000 1.376 446 K HN 0.385 nan 8.250 nan 0.000 0.460 447 T N -0.331 114.121 114.554 -0.170 0.000 2.922 447 T HA 0.416 4.762 4.350 -0.006 0.000 0.285 447 T C -2.433 172.245 174.700 -0.037 0.000 1.005 447 T CA -2.260 59.766 62.100 -0.123 0.000 1.061 447 T CB 1.295 70.114 68.868 -0.081 0.000 1.007 447 T HN 0.176 nan 8.240 nan 0.000 0.502 448 P HA 0.376 nan 4.420 nan 0.000 0.282 448 P C -0.410 176.609 177.300 -0.469 0.000 1.262 448 P CA -0.371 62.620 63.100 -0.182 0.000 0.773 448 P CB 0.449 32.081 31.700 -0.113 0.000 0.879 449 A N 4.907 127.254 122.820 -0.787 0.000 2.332 449 A HA 0.433 4.749 4.320 -0.006 0.000 0.258 449 A C 0.502 177.545 177.584 -0.902 0.000 1.087 449 A CA -0.522 50.529 52.037 -1.644 0.000 0.802 449 A CB -0.010 18.153 19.000 -1.396 0.000 1.042 449 A HN 0.541 nan 8.150 nan 0.000 0.489 450 M N 1.158 120.280 119.600 -0.797 0.000 2.211 450 M HA 0.434 4.910 4.480 -0.006 0.000 0.356 450 M C 0.501 176.749 176.300 -0.087 0.000 1.216 450 M CA 0.073 55.218 55.300 -0.257 0.000 1.134 450 M CB 1.280 33.836 32.600 -0.073 0.000 1.564 450 M HN 0.849 nan 8.290 nan 0.000 0.463 451 A N 2.859 125.651 122.820 -0.046 0.000 2.352 451 A HA 0.901 5.217 4.320 -0.006 0.000 0.299 451 A C -1.462 176.139 177.584 0.029 0.000 1.160 451 A CA -0.646 51.395 52.037 0.006 0.000 0.933 451 A CB 1.136 20.135 19.000 -0.002 0.000 1.387 451 A HN 0.667 nan 8.150 nan 0.000 0.487 452 L N -0.248 120.947 121.223 -0.047 0.000 2.439 452 L HA 0.610 4.946 4.340 -0.006 0.000 0.270 452 L C -0.734 175.998 176.870 -0.229 0.000 0.972 452 L CA 0.232 54.927 54.840 -0.241 0.000 0.836 452 L CB 1.793 43.566 42.059 -0.476 0.000 1.255 452 L HN 0.619 nan 8.230 nan 0.000 0.404 453 T N 5.448 119.851 114.554 -0.252 0.000 2.779 453 T HA 0.491 4.837 4.350 -0.006 0.000 0.280 453 T C -0.493 174.059 174.700 -0.246 0.000 0.987 453 T CA 0.054 62.029 62.100 -0.208 0.000 0.966 453 T CB 0.320 69.121 68.868 -0.112 0.000 0.933 453 T HN 0.236 nan 8.240 nan 0.000 0.442 454 F N 3.651 123.500 119.950 -0.169 0.000 2.405 454 F HA 0.333 4.857 4.527 -0.006 0.000 0.358 454 F C 1.377 177.127 175.800 -0.083 0.000 1.151 454 F CA -0.755 57.191 58.000 -0.090 0.000 1.161 454 F CB 0.332 39.277 39.000 -0.092 0.000 1.245 454 F HN 0.217 nan 8.300 nan 0.000 0.545 455 R N 1.628 122.169 120.500 0.069 0.000 2.531 455 R HA 0.463 4.799 4.340 -0.006 0.000 0.273 455 R C 0.923 177.358 176.300 0.226 0.000 1.070 455 R CA -0.067 56.109 56.100 0.126 0.000 1.112 455 R CB 0.850 31.238 30.300 0.145 0.000 1.049 455 R HN 0.735 nan 8.270 nan 0.000 0.508 456 A N 2.279 125.207 122.820 0.181 0.000 2.072 456 A HA 0.005 4.321 4.320 -0.006 0.000 0.216 456 A C 0.327 178.021 177.584 0.184 0.000 1.156 456 A CA 0.521 52.658 52.037 0.166 0.000 0.701 456 A CB -0.052 19.022 19.000 0.123 0.000 0.816 456 A HN 0.573 nan 8.150 nan 0.000 0.458 457 N N 1.481 120.310 118.700 0.214 0.000 2.509 457 N HA 0.179 4.915 4.740 -0.006 0.000 0.287 457 N C -0.171 175.504 175.510 0.276 0.000 1.121 457 N CA -0.329 52.845 53.050 0.207 0.000 0.977 457 N CB 0.609 39.209 38.487 0.188 0.000 1.167 457 N HN 0.707 nan 8.380 nan 0.000 0.476 458 N N -0.062 118.735 118.700 0.161 0.000 2.366 458 N HA 0.054 4.791 4.740 -0.006 0.000 0.277 458 N C 0.879 176.450 175.510 0.101 0.000 1.275 458 N CA -0.527 52.543 53.050 0.034 0.000 0.964 458 N CB 0.463 38.950 38.487 0.001 0.000 1.167 458 N HN 0.463 nan 8.380 nan 0.000 0.568 459 F N -0.939 118.980 119.950 -0.053 0.000 2.333 459 F HA 0.111 4.634 4.527 -0.007 0.000 0.300 459 F C 1.159 176.957 175.800 -0.004 0.000 1.083 459 F CA 0.296 58.308 58.000 0.020 0.000 1.395 459 F CB -0.754 38.209 39.000 -0.061 0.000 1.056 459 F HN 0.299 nan 8.300 nan 0.000 0.529 460 F N 1.323 121.058 119.950 -0.358 0.000 2.604 460 F HA 0.311 4.835 4.527 -0.006 0.000 0.298 460 F C 2.203 178.005 175.800 0.004 0.000 1.131 460 F CA 0.770 58.679 58.000 -0.151 0.000 1.457 460 F CB -0.579 38.260 39.000 -0.269 0.000 1.095 460 F HN 0.261 nan 8.300 nan 0.000 0.574 461 G N -0.079 108.846 108.800 0.208 0.000 2.176 461 G HA2 -0.217 3.739 3.960 -0.006 0.000 0.232 461 G HA3 -0.217 3.739 3.960 -0.006 0.000 0.232 461 G C -0.095 174.885 174.900 0.134 0.000 0.986 461 G CA -0.076 45.128 45.100 0.173 0.000 0.643 461 G HN 0.142 nan 8.290 nan 0.000 0.522 462 V N 2.223 122.212 119.914 0.125 0.000 2.481 462 V HA 0.508 4.624 4.120 -0.006 0.000 0.286 462 V C -1.706 174.435 176.094 0.079 0.000 1.042 462 V CA -1.780 60.562 62.300 0.069 0.000 0.928 462 V CB 1.632 33.458 31.823 0.005 0.000 0.986 462 V HN 0.106 nan 8.190 nan 0.000 0.462 463 P HA 0.103 nan 4.420 nan 0.000 0.264 463 P C -0.283 177.055 177.300 0.064 0.000 1.193 463 P CA 0.080 63.225 63.100 0.074 0.000 0.763 463 P CB 0.180 31.917 31.700 0.061 0.000 0.810 464 Q N 1.984 121.832 119.800 0.080 0.000 2.086 464 Q HA 0.653 4.989 4.340 -0.006 0.000 0.220 464 Q C -0.310 175.738 176.000 0.080 0.000 0.792 464 Q CA -0.626 55.219 55.803 0.071 0.000 1.062 464 Q CB 0.763 29.542 28.738 0.068 0.000 1.198 464 Q HN 0.356 nan 8.270 nan 0.000 0.466 465 A N 0.267 123.138 122.820 0.086 0.000 2.544 465 A HA 0.772 5.088 4.320 -0.006 0.000 0.291 465 A C -1.444 176.190 177.584 0.083 0.000 1.055 465 A CA -0.468 51.625 52.037 0.093 0.000 0.651 465 A CB 0.296 19.363 19.000 0.112 0.000 1.296 465 A HN 0.384 nan 8.150 nan 0.000 0.431 466 A N 0.025 122.892 122.820 0.078 0.000 2.332 466 A HA 0.653 4.969 4.320 -0.006 0.000 0.258 466 A C 1.492 179.122 177.584 0.077 0.000 1.087 466 A CA 0.519 52.595 52.037 0.066 0.000 0.802 466 A CB -0.029 19.001 19.000 0.050 0.000 1.042 466 A HN 2.400 nan 8.150 nan 0.000 0.489 467 A N 0.386 123.249 122.820 0.072 0.000 1.978 467 A HA -0.130 4.186 4.320 -0.006 0.000 0.220 467 A C 1.497 179.133 177.584 0.087 0.000 1.170 467 A CA 2.079 54.164 52.037 0.081 0.000 0.636 467 A CB -0.671 18.373 19.000 0.073 0.000 0.810 467 A HN 0.870 nan 8.150 nan 0.000 0.448 468 E N 0.472 120.719 120.200 0.078 0.000 2.472 468 E HA -0.084 4.262 4.350 -0.006 0.000 0.200 468 E C 1.333 177.992 176.600 0.099 0.000 1.046 468 E CA 0.897 57.348 56.400 0.084 0.000 0.871 468 E CB -0.163 29.575 29.700 0.063 0.000 0.806 468 E HN 0.738 nan 8.360 nan 0.000 0.533 469 E N 0.557 120.819 120.200 0.104 0.000 2.502 469 E HA 0.014 4.361 4.350 -0.006 0.000 0.194 469 E C -0.036 176.615 176.600 0.085 0.000 1.062 469 E CA 0.151 56.626 56.400 0.125 0.000 0.867 469 E CB 0.159 29.949 29.700 0.149 0.000 0.888 469 E HN 0.097 nan 8.360 nan 0.000 0.510 470 T N 2.139 116.739 114.554 0.077 0.000 2.928 470 T HA 0.078 4.425 4.350 -0.006 0.000 0.305 470 T C 0.239 174.921 174.700 -0.031 0.000 1.035 470 T CA 0.199 62.313 62.100 0.024 0.000 1.145 470 T CB 0.479 69.358 68.868 0.018 0.000 0.963 470 T HN -0.059 nan 8.240 nan 0.000 0.545 471 R N 2.299 122.755 120.500 -0.074 0.000 2.637 471 R HA 0.413 4.749 4.340 -0.006 0.000 0.291 471 R C -0.858 175.342 176.300 -0.167 0.000 0.963 471 R CA -0.737 55.332 56.100 -0.052 0.000 0.901 471 R CB 1.212 31.452 30.300 -0.100 0.000 1.160 471 R HN 0.708 nan 8.270 nan 0.000 0.457 472 H N 0.465 119.612 119.070 0.129 0.000 2.466 472 H HA 0.315 4.867 4.556 -0.006 0.000 0.338 472 H C -0.349 175.039 175.328 0.101 0.000 1.091 472 H CA -0.434 55.674 56.048 0.100 0.000 1.207 472 H CB 2.009 31.803 29.762 0.052 0.000 1.466 472 H HN 0.295 nan 8.280 nan 0.000 0.493 473 Q N 2.313 122.215 119.800 0.169 0.000 2.353 473 Q HA 0.552 4.888 4.340 -0.006 0.000 0.268 473 Q C -0.121 175.919 176.000 0.066 0.000 1.045 473 Q CA -0.792 55.082 55.803 0.118 0.000 0.811 473 Q CB 1.870 30.684 28.738 0.128 0.000 1.305 473 Q HN 0.827 nan 8.270 nan 0.000 0.447 474 A N 3.607 126.461 122.820 0.056 0.000 1.898 474 A HA -0.088 4.228 4.320 -0.006 0.000 0.216 474 A C 0.704 178.306 177.584 0.030 0.000 1.181 474 A CA 1.111 53.168 52.037 0.034 0.000 0.620 474 A CB -0.087 18.932 19.000 0.032 0.000 0.819 474 A HN 0.769 nan 8.150 nan 0.000 0.442 475 E N -0.493 119.734 120.200 0.046 0.000 2.115 475 E HA 0.316 4.663 4.350 -0.006 0.000 0.282 475 E C -1.302 175.328 176.600 0.050 0.000 0.987 475 E CA -0.864 55.589 56.400 0.089 0.000 0.797 475 E CB 0.415 30.186 29.700 0.119 0.000 1.086 475 E HN 0.385 nan 8.360 nan 0.000 0.397 476 Y N 4.160 124.465 120.300 0.008 0.000 2.544 476 Y HA 0.049 4.595 4.550 -0.006 0.000 0.330 476 Y C -0.673 175.257 175.900 0.050 0.000 1.136 476 Y CA 0.381 58.452 58.100 -0.048 0.000 1.417 476 Y CB 0.580 39.050 38.460 0.016 0.000 1.229 476 Y HN 0.487 nan 8.280 nan 0.000 0.532 477 Q N 4.902 124.207 119.800 -0.825 0.000 2.330 477 Q HA 0.194 4.530 4.340 -0.006 0.000 0.269 477 Q C -1.007 174.607 176.000 -0.643 0.000 1.022 477 Q CA -0.978 54.551 55.803 -0.457 0.000 0.796 477 Q CB 1.305 29.926 28.738 -0.196 0.000 1.271 477 Q HN 0.623 nan 8.270 nan 0.000 0.450 478 N N 3.609 122.185 118.700 -0.206 0.000 2.895 478 N HA 0.072 4.808 4.740 -0.006 0.000 0.277 478 N C -1.243 174.413 175.510 0.244 0.000 1.185 478 N CA -0.021 53.120 53.050 0.152 0.000 1.106 478 N CB 0.079 38.827 38.487 0.435 0.000 1.422 478 N HN 0.581 nan 8.380 nan 0.000 0.521 479 R N -0.470 120.165 120.500 0.227 0.000 2.795 479 R HA 0.693 5.029 4.340 -0.006 0.000 0.268 479 R C 0.019 176.414 176.300 0.157 0.000 1.041 479 R CA -1.159 55.025 56.100 0.140 0.000 0.927 479 R CB -0.027 30.312 30.300 0.065 0.000 1.235 479 R HN 0.094 nan 8.270 nan 0.000 0.463 480 G N -0.085 108.717 108.800 0.004 0.000 2.554 480 G HA2 0.146 4.102 3.960 -0.006 0.000 0.238 480 G HA3 0.146 4.102 3.960 -0.006 0.000 0.238 480 G C 0.430 175.362 174.900 0.054 0.000 1.259 480 G CA -0.188 44.873 45.100 -0.064 0.000 0.843 480 G HN 0.596 nan 8.290 nan 0.000 0.582 481 T N 0.828 115.286 114.554 -0.160 0.000 2.699 481 T HA -0.090 4.256 4.350 -0.006 0.000 0.268 481 T C 0.893 175.629 174.700 0.060 0.000 1.036 481 T CA 2.137 64.100 62.100 -0.228 0.000 1.147 481 T CB -0.158 68.590 68.868 -0.200 0.000 0.862 481 T HN 0.833 nan 8.240 nan 0.000 0.446 482 E N 0.481 120.709 120.200 0.046 0.000 2.336 482 E HA 0.583 4.930 4.350 -0.006 0.000 0.267 482 E C -1.453 175.144 176.600 -0.005 0.000 0.906 482 E CA -1.033 55.417 56.400 0.083 0.000 0.781 482 E CB 0.813 30.518 29.700 0.008 0.000 1.261 482 E HN 0.038 nan 8.360 nan 0.000 0.436 483 N N 0.676 119.405 118.700 0.049 0.000 2.269 483 N HA 0.435 5.171 4.740 -0.006 0.000 0.304 483 N C -1.763 173.810 175.510 0.106 0.000 1.072 483 N CA -0.736 52.288 53.050 -0.042 0.000 0.802 483 N CB 1.364 39.757 38.487 -0.157 0.000 1.348 483 N HN 0.648 nan 8.380 nan 0.000 0.484 484 D N 1.036 121.461 120.400 0.042 0.000 2.756 484 D HA 0.360 4.996 4.640 -0.006 0.000 0.226 484 D C -1.169 175.213 176.300 0.137 0.000 1.186 484 D CA -0.575 53.499 54.000 0.124 0.000 0.845 484 D CB 2.041 42.860 40.800 0.032 0.000 1.610 484 D HN 0.362 nan 8.370 nan 0.000 0.465 485 M N 1.870 121.589 119.600 0.199 0.000 2.327 485 M HA 0.477 4.953 4.480 -0.006 0.000 0.298 485 M C -2.217 174.131 176.300 0.080 0.000 1.065 485 M CA -0.686 54.712 55.300 0.163 0.000 0.916 485 M CB 1.745 34.516 32.600 0.285 0.000 1.630 485 M HN 0.386 nan 8.290 nan 0.000 0.442 486 I N 5.223 125.755 120.570 -0.065 0.000 2.406 486 I HA 0.475 4.642 4.170 -0.006 0.000 0.290 486 I C -0.894 175.060 176.117 -0.270 0.000 0.999 486 I CA -0.569 60.557 61.300 -0.290 0.000 1.124 486 I CB 1.942 39.660 38.000 -0.470 0.000 1.289 486 I HN 0.380 nan 8.210 nan 0.000 0.441 487 V N 6.734 126.467 119.914 -0.300 0.000 2.378 487 V HA 0.421 4.537 4.120 -0.006 0.000 0.288 487 V C -0.534 175.377 176.094 -0.305 0.000 1.016 487 V CA -0.540 61.661 62.300 -0.165 0.000 0.840 487 V CB 0.956 32.809 31.823 0.050 0.000 0.994 487 V HN 0.353 nan 8.190 nan 0.000 0.431 488 F N 2.306 122.215 119.950 -0.069 0.000 2.404 488 F HA 0.415 4.938 4.527 -0.007 0.000 0.339 488 F C 1.292 177.073 175.800 -0.032 0.000 1.105 488 F CA -0.360 57.596 58.000 -0.073 0.000 1.087 488 F CB 1.694 40.651 39.000 -0.073 0.000 1.143 488 F HN 0.602 nan 8.300 nan 0.000 0.491 489 S N 2.297 118.110 115.700 0.188 0.000 3.484 489 S HA -0.134 4.332 4.470 -0.006 0.000 0.384 489 S C -2.577 172.065 174.600 0.070 0.000 0.932 489 S CA -0.591 57.675 58.200 0.109 0.000 1.293 489 S CB -1.938 61.323 63.200 0.101 0.000 0.919 489 S HN 0.326 nan 8.310 nan 0.000 0.540 490 P HA 0.119 nan 4.420 nan 0.000 0.267 490 P C 1.370 178.694 177.300 0.039 0.000 1.205 490 P CA 0.027 63.152 63.100 0.042 0.000 0.765 490 P CB 0.517 32.239 31.700 0.036 0.000 0.828 491 T N -1.494 113.082 114.554 0.037 0.000 2.995 491 T HA -0.113 4.233 4.350 -0.006 0.000 0.269 491 T C 1.297 176.014 174.700 0.029 0.000 1.091 491 T CA 1.568 63.687 62.100 0.031 0.000 1.128 491 T CB -1.181 67.703 68.868 0.026 0.000 0.891 491 T HN 0.479 nan 8.240 nan 0.000 0.492 492 T N -0.800 113.774 114.554 0.033 0.000 3.219 492 T HA 0.371 4.717 4.350 -0.006 0.000 0.249 492 T C 0.528 175.250 174.700 0.037 0.000 1.099 492 T CA 0.020 62.141 62.100 0.034 0.000 0.988 492 T CB -0.298 68.593 68.868 0.039 0.000 0.999 492 T HN 0.477 nan 8.240 nan 0.000 0.550 493 S N 0.314 116.034 115.700 0.033 0.000 2.625 493 S HA 0.447 4.913 4.470 -0.006 0.000 0.271 493 S C -0.607 174.008 174.600 0.026 0.000 1.161 493 S CA -0.240 57.978 58.200 0.030 0.000 0.820 493 S CB 1.503 64.721 63.200 0.029 0.000 1.137 493 S HN 0.208 nan 8.310 nan 0.000 0.470 494 D N 0.435 120.850 120.400 0.024 0.000 2.346 494 D HA 0.135 4.771 4.640 -0.006 0.000 0.206 494 D C 0.379 176.694 176.300 0.024 0.000 1.001 494 D CA 0.091 54.104 54.000 0.023 0.000 0.871 494 D CB -0.168 40.644 40.800 0.020 0.000 0.943 494 D HN 0.341 nan 8.370 nan 0.000 0.518 495 R N 1.505 122.017 120.500 0.020 0.000 2.537 495 R HA 0.126 4.462 4.340 -0.006 0.000 0.280 495 R C -1.581 174.728 176.300 0.016 0.000 1.058 495 R CA -0.892 55.217 56.100 0.016 0.000 1.057 495 R CB 0.242 30.542 30.300 0.000 0.000 0.973 495 R HN 0.109 nan 8.270 nan 0.000 0.438 496 P HA -0.042 nan 4.420 nan 0.000 0.223 496 P C 0.115 177.448 177.300 0.055 0.000 1.151 496 P CA 0.857 63.998 63.100 0.069 0.000 0.787 496 P CB 0.353 32.116 31.700 0.104 0.000 0.788 497 V N -1.129 118.749 119.914 -0.060 0.000 3.007 497 V HA 0.494 4.610 4.120 -0.006 0.000 0.311 497 V C -0.415 175.479 176.094 -0.333 0.000 1.120 497 V CA -0.954 61.167 62.300 -0.299 0.000 0.980 497 V CB 2.588 34.109 31.823 -0.503 0.000 1.033 497 V HN -0.215 nan 8.190 nan 0.000 0.429 498 L N 1.967 122.900 121.223 -0.483 0.000 2.422 498 L HA 0.973 5.309 4.340 -0.006 0.000 0.264 498 L C -0.283 176.096 176.870 -0.818 0.000 0.984 498 L CA -0.574 53.893 54.840 -0.622 0.000 0.819 498 L CB 2.250 43.968 42.059 -0.570 0.000 1.330 498 L HN 0.955 nan 8.230 nan 0.000 0.410 499 A N 2.120 124.343 122.820 -0.996 0.000 2.539 499 A HA 0.887 5.204 4.320 -0.006 0.000 0.296 499 A C -2.043 175.061 177.584 -0.801 0.000 1.073 499 A CA -0.495 51.134 52.037 -0.679 0.000 0.700 499 A CB 1.752 20.509 19.000 -0.406 0.000 1.296 499 A HN 0.674 nan 8.150 nan 0.000 0.405 500 W N 0.343 121.468 121.300 -0.292 0.000 3.062 500 W HA 0.545 5.202 4.660 -0.005 0.000 0.336 500 W C -1.069 175.324 176.519 -0.210 0.000 1.224 500 W CA -0.121 57.029 57.345 -0.325 0.000 1.159 500 W CB 2.260 31.457 29.460 -0.437 0.000 1.454 500 W HN 1.045 nan 8.180 nan 0.000 0.569 501 D N -1.036 119.400 120.400 0.060 0.000 2.838 501 D HA 0.507 5.143 4.640 -0.006 0.000 0.334 501 D C -1.902 174.457 176.300 0.098 0.000 1.315 501 D CA -0.548 53.506 54.000 0.090 0.000 0.917 501 D CB 1.881 42.699 40.800 0.030 0.000 1.435 501 D HN 0.183 nan 8.370 nan 0.000 0.517 502 V N -0.177 119.817 119.914 0.133 0.000 2.739 502 V HA 0.468 4.584 4.120 -0.006 0.000 0.293 502 V C -1.906 174.271 176.094 0.139 0.000 1.199 502 V CA -0.435 61.956 62.300 0.153 0.000 0.931 502 V CB 1.467 33.445 31.823 0.259 0.000 1.052 502 V HN 0.599 nan 8.190 nan 0.000 0.441 503 V N 7.243 127.195 119.914 0.064 0.000 2.276 503 V HA 0.795 4.912 4.120 -0.006 0.000 0.268 503 V C 0.606 176.689 176.094 -0.018 0.000 1.032 503 V CA 0.199 62.513 62.300 0.024 0.000 0.810 503 V CB 1.141 32.950 31.823 -0.024 0.000 1.060 503 V HN 1.145 nan 8.190 nan 0.000 0.446 504 A N 5.758 128.551 122.820 -0.046 0.000 2.303 504 A HA 0.839 5.156 4.320 -0.006 0.000 0.317 504 A C -1.598 175.844 177.584 -0.237 0.000 1.149 504 A CA -1.578 50.351 52.037 -0.179 0.000 0.822 504 A CB 1.127 19.964 19.000 -0.270 0.000 1.131 504 A HN 0.544 nan 8.150 nan 0.000 0.493 505 P HA 0.133 nan 4.420 nan 0.000 0.219 505 P C 0.683 177.838 177.300 -0.242 0.000 1.150 505 P CA 1.586 64.429 63.100 -0.428 0.000 0.814 505 P CB 0.254 31.635 31.700 -0.531 0.000 0.787 506 G N -1.796 106.901 108.800 -0.173 0.000 2.441 506 G HA2 0.195 4.151 3.960 -0.006 0.000 0.294 506 G HA3 0.195 4.151 3.960 -0.006 0.000 0.294 506 G C -0.245 174.625 174.900 -0.050 0.000 1.393 506 G CA -0.190 44.865 45.100 -0.074 0.000 0.796 506 G HN -0.139 nan 8.290 nan 0.000 0.494 507 Q N 0.031 119.811 119.800 -0.033 0.000 2.084 507 Q HA 0.052 4.388 4.340 -0.006 0.000 0.202 507 Q C 1.450 177.463 176.000 0.022 0.000 0.978 507 Q CA 2.174 57.928 55.803 -0.082 0.000 0.844 507 Q CB -0.170 28.476 28.738 -0.154 0.000 0.898 507 Q HN 0.655 nan 8.270 nan 0.000 0.426 508 S N -1.992 113.778 115.700 0.116 0.000 2.608 508 S HA 0.620 5.086 4.470 -0.006 0.000 0.291 508 S C 0.466 175.201 174.600 0.225 0.000 1.146 508 S CA -0.337 57.988 58.200 0.208 0.000 1.043 508 S CB 1.467 64.841 63.200 0.289 0.000 1.037 508 S HN 0.399 nan 8.310 nan 0.000 0.520 509 G N 2.303 111.266 108.800 0.271 0.000 3.377 509 G HA2 0.207 4.163 3.960 -0.006 0.000 0.257 509 G HA3 0.207 4.163 3.960 -0.006 0.000 0.257 509 G C -0.209 174.927 174.900 0.393 0.000 1.038 509 G CA -0.316 44.965 45.100 0.302 0.000 0.809 509 G HN 0.595 nan 8.290 nan 0.000 0.526 510 F N 1.868 121.943 119.950 0.208 0.000 2.456 510 F HA 0.595 5.119 4.527 -0.005 0.000 0.358 510 F C -0.169 175.642 175.800 0.019 0.000 1.095 510 F CA -1.335 56.729 58.000 0.107 0.000 1.216 510 F CB 0.588 39.636 39.000 0.080 0.000 1.125 510 F HN -0.152 nan 8.300 nan 0.000 0.549 511 I N 6.373 126.420 120.570 -0.871 0.000 2.439 511 I HA 0.400 4.566 4.170 -0.006 0.000 0.285 511 I C -0.006 175.417 176.117 -1.157 0.000 1.021 511 I CA -0.926 59.860 61.300 -0.856 0.000 1.091 511 I CB 1.412 39.130 38.000 -0.470 0.000 1.242 511 I HN 0.783 nan 8.210 nan 0.000 0.439 512 A N 8.005 130.232 122.820 -0.987 0.000 2.366 512 A HA 0.380 4.697 4.320 -0.006 0.000 0.250 512 A C -1.613 175.818 177.584 -0.255 0.000 1.099 512 A CA -0.757 50.971 52.037 -0.516 0.000 0.794 512 A CB -0.357 18.555 19.000 -0.148 0.000 1.056 512 A HN 0.582 nan 8.150 nan 0.000 0.499 513 P HA -0.121 nan 4.420 nan 0.000 0.218 513 P C 0.483 177.747 177.300 -0.060 0.000 1.149 513 P CA 1.557 64.626 63.100 -0.051 0.000 0.817 513 P CB -0.116 31.586 31.700 0.003 0.000 0.785 514 D N -1.479 118.886 120.400 -0.059 0.000 2.363 514 D HA 0.046 4.682 4.640 -0.006 0.000 0.226 514 D C 1.417 177.667 176.300 -0.082 0.000 1.020 514 D CA 0.797 54.764 54.000 -0.055 0.000 0.892 514 D CB -0.987 39.790 40.800 -0.038 0.000 0.900 514 D HN 0.264 nan 8.370 nan 0.000 0.531 515 G N -0.677 108.046 108.800 -0.127 0.000 2.175 515 G HA2 -0.248 3.709 3.960 -0.006 0.000 0.244 515 G HA3 -0.248 3.709 3.960 -0.006 0.000 0.244 515 G C 0.302 175.094 174.900 -0.180 0.000 0.982 515 G CA 0.196 45.207 45.100 -0.148 0.000 0.641 515 G HN 0.446 nan 8.290 nan 0.000 0.527 516 T N 1.286 115.735 114.554 -0.176 0.000 2.834 516 T HA 0.459 4.805 4.350 -0.006 0.000 0.298 516 T C 0.546 175.084 174.700 -0.269 0.000 0.966 516 T CA -0.102 61.896 62.100 -0.170 0.000 1.141 516 T CB 2.361 71.168 68.868 -0.102 0.000 0.905 516 T HN 0.348 nan 8.240 nan 0.000 0.535 517 V N 4.528 124.273 119.914 -0.281 0.000 2.546 517 V HA 0.108 4.224 4.120 -0.006 0.000 0.284 517 V C 0.950 176.924 176.094 -0.201 0.000 1.050 517 V CA -0.678 61.375 62.300 -0.410 0.000 0.981 517 V CB 1.341 32.858 31.823 -0.510 0.000 0.990 517 V HN 0.915 nan 8.190 nan 0.000 0.474 518 D N 3.706 124.048 120.400 -0.097 0.000 2.406 518 D HA -0.072 4.564 4.640 -0.006 0.000 0.234 518 D C 1.157 177.490 176.300 0.054 0.000 1.196 518 D CA 0.094 54.158 54.000 0.105 0.000 0.881 518 D CB 0.750 41.718 40.800 0.281 0.000 1.205 518 D HN 0.696 nan 8.370 nan 0.000 0.453 519 K N 1.911 122.302 120.400 -0.014 0.000 2.283 519 K HA -0.149 4.168 4.320 -0.006 0.000 0.202 519 K C 0.733 177.177 176.600 -0.260 0.000 1.048 519 K CA 1.124 57.302 56.287 -0.182 0.000 0.948 519 K CB 0.058 32.367 32.500 -0.319 0.000 0.742 519 K HN 0.463 nan 8.250 nan 0.000 0.458 520 H N -0.685 118.460 119.070 0.125 0.000 2.472 520 H HA 0.015 4.567 4.556 -0.006 0.000 0.287 520 H C 0.025 175.429 175.328 0.126 0.000 1.112 520 H CA -0.241 55.867 56.048 0.101 0.000 1.021 520 H CB 0.191 29.997 29.762 0.073 0.000 1.635 520 H HN 0.289 nan 8.280 nan 0.000 0.559 521 Y N 2.340 122.688 120.300 0.081 0.000 2.395 521 Y HA -0.075 4.471 4.550 -0.007 0.000 0.293 521 Y C 1.123 177.024 175.900 0.003 0.000 1.123 521 Y CA 1.291 59.417 58.100 0.044 0.000 1.227 521 Y CB 0.826 39.298 38.460 0.019 0.000 1.012 521 Y HN 0.288 nan 8.280 nan 0.000 0.552 522 E N -1.326 118.910 120.200 0.059 0.000 2.948 522 E HA 0.059 4.405 4.350 -0.006 0.000 0.186 522 E C -0.074 176.515 176.600 -0.019 0.000 0.951 522 E CA 0.344 56.703 56.400 -0.069 0.000 1.308 522 E CB -0.405 29.278 29.700 -0.029 0.000 1.037 522 E HN 0.421 nan 8.360 nan 0.000 0.469 523 D N 0.926 121.345 120.400 0.031 0.000 2.336 523 D HA -0.100 4.536 4.640 -0.006 0.000 0.229 523 D C 1.152 177.471 176.300 0.031 0.000 1.061 523 D CA 0.192 54.220 54.000 0.046 0.000 0.875 523 D CB 0.226 41.081 40.800 0.092 0.000 0.904 523 D HN 0.320 nan 8.370 nan 0.000 0.525 524 Q N -0.647 119.150 119.800 -0.005 0.000 2.189 524 Q HA 0.183 4.519 4.340 -0.006 0.000 0.223 524 Q C 1.515 177.513 176.000 -0.004 0.000 0.828 524 Q CA -0.293 55.515 55.803 0.007 0.000 0.967 524 Q CB 0.597 29.338 28.738 0.005 0.000 1.139 524 Q HN 0.108 nan 8.270 nan 0.000 0.497 525 L N 1.057 122.238 121.223 -0.070 0.000 2.093 525 L HA -0.130 4.206 4.340 -0.006 0.000 0.208 525 L C 1.891 178.763 176.870 0.003 0.000 1.085 525 L CA 1.715 56.486 54.840 -0.116 0.000 0.755 525 L CB 0.063 41.983 42.059 -0.231 0.000 0.904 525 L HN -0.082 nan 8.230 nan 0.000 0.435 526 K N -1.007 119.403 120.400 0.017 0.000 2.167 526 K HA -0.075 4.241 4.320 -0.006 0.000 0.203 526 K C 2.060 178.687 176.600 0.045 0.000 1.052 526 K CA 1.406 57.713 56.287 0.034 0.000 0.956 526 K CB -0.406 32.109 32.500 0.026 0.000 0.735 526 K HN 0.379 nan 8.250 nan 0.000 0.451 527 M N -0.298 119.337 119.600 0.059 0.000 2.108 527 M HA -0.247 4.229 4.480 -0.006 0.000 0.261 527 M C 2.096 178.441 176.300 0.074 0.000 1.066 527 M CA 1.656 56.996 55.300 0.067 0.000 1.107 527 M CB -0.238 32.410 32.600 0.080 0.000 1.356 527 M HN 0.082 nan 8.290 nan 0.000 0.406 528 Y N 0.861 121.153 120.300 -0.014 0.000 2.114 528 Y HA -0.297 4.250 4.550 -0.006 0.000 0.284 528 Y C 2.367 178.168 175.900 -0.164 0.000 1.143 528 Y CA 2.476 60.564 58.100 -0.020 0.000 1.135 528 Y CB -0.521 37.980 38.460 0.068 0.000 0.980 528 Y HN 0.429 nan 8.280 nan 0.000 0.499 529 E N -0.124 120.058 120.200 -0.029 0.000 2.085 529 E HA -0.229 4.117 4.350 -0.006 0.000 0.194 529 E C 0.870 177.252 176.600 -0.362 0.000 0.994 529 E CA 1.560 57.841 56.400 -0.198 0.000 0.801 529 E CB -0.302 29.392 29.700 -0.011 0.000 0.743 529 E HN 0.569 nan 8.360 nan 0.000 0.453 530 N N 0.072 118.662 118.700 -0.184 0.000 2.362 530 N HA -0.015 4.721 4.740 -0.006 0.000 0.204 530 N C -0.392 175.139 175.510 0.036 0.000 1.166 530 N CA 0.350 53.368 53.050 -0.052 0.000 0.831 530 N CB 0.042 38.561 38.487 0.053 0.000 1.008 530 N HN 0.163 nan 8.380 nan 0.000 0.472 531 F N -0.875 119.073 119.950 -0.003 0.000 2.988 531 F HA -0.198 4.325 4.527 -0.006 0.000 0.287 531 F C 1.292 177.245 175.800 0.255 0.000 0.781 531 F CA 0.477 58.535 58.000 0.096 0.000 1.221 531 F CB -1.886 37.152 39.000 0.063 0.000 1.392 531 F HN 0.104 nan 8.300 nan 0.000 0.425 532 G N 0.138 109.056 108.800 0.196 0.000 2.543 532 G HA2 0.768 4.724 3.960 -0.006 0.000 0.290 532 G HA3 0.768 4.724 3.960 -0.006 0.000 0.290 532 G C -0.166 174.770 174.900 0.060 0.000 1.310 532 G CA -0.321 44.832 45.100 0.087 0.000 1.025 532 G HN 0.459 nan 8.290 nan 0.000 0.502 533 R N -1.346 119.090 120.500 -0.107 0.000 2.690 533 R HA 0.520 4.856 4.340 -0.006 0.000 0.269 533 R C -1.045 175.224 176.300 -0.052 0.000 1.037 533 R CA -1.118 54.905 56.100 -0.128 0.000 0.877 533 R CB 1.448 31.412 30.300 -0.560 0.000 1.255 533 R HN 0.671 nan 8.270 nan 0.000 0.467 534 K N 1.003 121.405 120.400 0.003 0.000 2.221 534 K HA 0.491 4.807 4.320 -0.006 0.000 0.243 534 K C -0.792 175.740 176.600 -0.113 0.000 0.968 534 K CA -0.777 55.495 56.287 -0.026 0.000 0.846 534 K CB 2.141 34.605 32.500 -0.060 0.000 1.141 534 K HN 0.483 nan 8.250 nan 0.000 0.434 535 S N 1.406 116.869 115.700 -0.396 0.000 2.580 535 S HA 0.245 4.711 4.470 -0.006 0.000 0.274 535 S C -0.149 173.766 174.600 -1.143 0.000 1.329 535 S CA -0.681 56.923 58.200 -0.994 0.000 1.036 535 S CB 0.214 62.508 63.200 -1.511 0.000 0.919 535 S HN 0.407 nan 8.310 nan 0.000 0.515 536 L N 2.602 123.201 121.223 -1.041 0.000 2.295 536 L HA 0.473 4.809 4.340 -0.006 0.000 0.285 536 L C -0.852 175.560 176.870 -0.763 0.000 1.035 536 L CA -0.445 53.961 54.840 -0.724 0.000 0.806 536 L CB 0.938 42.773 42.059 -0.374 0.000 1.214 536 L HN 0.695 nan 8.230 nan 0.000 0.426 537 W N 3.942 125.144 121.300 -0.163 0.000 2.512 537 W HA 0.441 5.097 4.660 -0.006 0.000 0.335 537 W C 0.430 176.910 176.519 -0.065 0.000 1.088 537 W CA -0.637 56.625 57.345 -0.137 0.000 1.236 537 W CB 1.639 31.021 29.460 -0.130 0.000 1.307 537 W HN 0.371 nan 8.180 nan 0.000 0.567 538 L N 1.357 122.717 121.223 0.228 0.000 2.638 538 L HA 0.226 4.562 4.340 -0.006 0.000 0.195 538 L C 1.356 178.281 176.870 0.091 0.000 1.065 538 L CA 0.726 55.658 54.840 0.153 0.000 0.859 538 L CB -0.436 41.677 42.059 0.090 0.000 1.269 538 L HN 0.362 nan 8.230 nan 0.000 0.484 539 T N -1.966 112.630 114.554 0.070 0.000 2.900 539 T HA 0.078 4.424 4.350 -0.006 0.000 0.307 539 T C 1.069 175.722 174.700 -0.078 0.000 1.065 539 T CA -0.127 61.972 62.100 -0.001 0.000 1.105 539 T CB 0.751 69.628 68.868 0.014 0.000 0.979 539 T HN 0.248 nan 8.240 nan 0.000 0.544 540 K N 0.644 120.977 120.400 -0.111 0.000 2.044 540 K HA -0.220 4.096 4.320 -0.006 0.000 0.210 540 K C 2.441 178.975 176.600 -0.111 0.000 1.049 540 K CA 1.925 58.133 56.287 -0.132 0.000 0.927 540 K CB -0.266 32.175 32.500 -0.098 0.000 0.713 540 K HN 0.795 nan 8.250 nan 0.000 0.443 541 Q N 0.856 120.603 119.800 -0.090 0.000 2.014 541 Q HA -0.226 4.110 4.340 -0.006 0.000 0.207 541 Q C 1.550 177.459 176.000 -0.152 0.000 0.993 541 Q CA 2.030 57.772 55.803 -0.101 0.000 0.850 541 Q CB -0.004 28.689 28.738 -0.074 0.000 0.916 541 Q HN 0.259 nan 8.270 nan 0.000 0.417 542 D N -0.463 119.842 120.400 -0.158 0.000 2.117 542 D HA -0.139 4.497 4.640 -0.006 0.000 0.197 542 D C 2.001 178.072 176.300 -0.381 0.000 0.987 542 D CA 1.215 55.032 54.000 -0.306 0.000 0.829 542 D CB -0.167 40.488 40.800 -0.243 0.000 0.961 542 D HN 0.163 nan 8.370 nan 0.000 0.460 543 V N 1.549 121.337 119.914 -0.211 0.000 2.295 543 V HA -0.187 3.929 4.120 -0.006 0.000 0.246 543 V C 2.426 178.432 176.094 -0.147 0.000 1.049 543 V CA 1.471 63.682 62.300 -0.149 0.000 1.024 543 V CB -0.387 31.384 31.823 -0.086 0.000 0.648 543 V HN 0.089 nan 8.190 nan 0.000 0.447 544 E N 0.521 120.636 120.200 -0.142 0.000 2.077 544 E HA -0.188 4.158 4.350 -0.006 0.000 0.193 544 E C 2.352 178.850 176.600 -0.170 0.000 0.989 544 E CA 1.591 57.916 56.400 -0.125 0.000 0.800 544 E CB -0.568 29.066 29.700 -0.109 0.000 0.746 544 E HN 0.574 nan 8.360 nan 0.000 0.452 545 A N 0.743 123.416 122.820 -0.246 0.000 2.019 545 A HA -0.151 4.165 4.320 -0.006 0.000 0.219 545 A C 1.467 178.716 177.584 -0.560 0.000 1.164 545 A CA 1.153 52.959 52.037 -0.386 0.000 0.644 545 A CB -0.402 18.320 19.000 -0.463 0.000 0.805 545 A HN 0.253 nan 8.150 nan 0.000 0.449 546 H N -1.264 117.605 119.070 -0.335 0.000 2.581 546 H HA 0.168 4.720 4.556 -0.007 0.000 0.275 546 H C 0.112 175.378 175.328 -0.102 0.000 1.126 546 H CA -0.186 55.718 56.048 -0.239 0.000 1.097 546 H CB 0.103 29.624 29.762 -0.401 0.000 1.626 546 H HN 0.509 nan 8.280 nan 0.000 0.565 547 K N 2.358 122.736 120.400 -0.037 0.000 2.401 547 K HA -0.021 4.295 4.320 -0.006 0.000 0.278 547 K C 1.098 177.710 176.600 0.020 0.000 1.018 547 K CA 0.061 56.347 56.287 -0.001 0.000 0.981 547 K CB 0.835 33.317 32.500 -0.029 0.000 0.933 547 K HN 0.422 nan 8.250 nan 0.000 0.477 548 E N 1.689 121.917 120.200 0.046 0.000 2.434 548 E HA 0.062 4.408 4.350 -0.006 0.000 0.207 548 E C -0.505 176.125 176.600 0.050 0.000 0.929 548 E CA -0.259 56.178 56.400 0.061 0.000 1.001 548 E CB 0.479 30.245 29.700 0.110 0.000 1.016 548 E HN 0.519 nan 8.360 nan 0.000 0.502 549 S N -0.689 115.035 115.700 0.040 0.000 2.615 549 S HA 0.373 4.840 4.470 -0.006 0.000 0.268 549 S C -1.366 173.246 174.600 0.021 0.000 1.146 549 S CA -1.005 57.214 58.200 0.032 0.000 0.818 549 S CB 1.810 65.036 63.200 0.044 0.000 1.111 549 S HN 0.174 nan 8.310 nan 0.000 0.465 550 Q N -0.005 119.804 119.800 0.015 0.000 2.340 550 Q HA 0.607 4.943 4.340 -0.006 0.000 0.276 550 Q C -2.018 173.986 176.000 0.006 0.000 1.048 550 Q CA -0.357 55.451 55.803 0.008 0.000 0.832 550 Q CB 2.174 30.913 28.738 0.003 0.000 1.373 550 Q HN 0.833 nan 8.270 nan 0.000 0.409 551 E N 2.428 122.628 120.200 -0.000 0.000 2.290 551 E HA 0.540 4.886 4.350 -0.006 0.000 0.274 551 E C -1.821 174.766 176.600 -0.023 0.000 0.889 551 E CA -0.673 55.723 56.400 -0.006 0.000 0.760 551 E CB 2.114 31.811 29.700 -0.006 0.000 1.206 551 E HN 0.389 nan 8.360 nan 0.000 0.419 552 V N 5.225 125.121 119.914 -0.031 0.000 2.555 552 V HA 0.497 4.613 4.120 -0.006 0.000 0.302 552 V C -0.275 175.741 176.094 -0.131 0.000 1.038 552 V CA -0.672 61.575 62.300 -0.089 0.000 0.887 552 V CB 1.485 33.265 31.823 -0.071 0.000 0.991 552 V HN 0.632 nan 8.190 nan 0.000 0.434 553 L N 3.702 124.790 121.223 -0.224 0.000 2.333 553 L HA 0.657 4.993 4.340 -0.006 0.000 0.269 553 L C -1.010 175.617 176.870 -0.404 0.000 1.010 553 L CA -0.757 53.972 54.840 -0.184 0.000 0.818 553 L CB 1.952 43.956 42.059 -0.092 0.000 1.306 553 L HN 0.640 nan 8.230 nan 0.000 0.430 554 H N 0.708 119.780 119.070 0.004 0.000 2.860 554 H HA 0.625 5.182 4.556 0.001 0.000 0.312 554 H C -1.194 174.136 175.328 0.003 0.000 0.995 554 H CA -0.380 55.671 56.048 0.005 0.000 1.311 554 H CB 1.700 31.464 29.762 0.004 0.000 1.478 554 H HN 0.186 nan 8.280 nan 0.000 0.508 555 V N 2.755 122.714 119.914 0.074 0.000 2.925 555 V HA 0.386 4.502 4.120 -0.006 0.000 0.311 555 V C -0.756 175.363 176.094 0.041 0.000 1.104 555 V CA -0.884 61.444 62.300 0.046 0.000 0.954 555 V CB 2.300 34.132 31.823 0.015 0.000 1.022 555 V HN 0.549 nan 8.190 nan 0.000 0.427 556 Q N 2.395 122.214 119.800 0.033 0.000 2.321 556 Q HA 0.488 4.825 4.340 -0.006 0.000 0.270 556 Q C -0.389 175.621 176.000 0.016 0.000 1.032 556 Q CA -0.530 55.289 55.803 0.026 0.000 0.784 556 Q CB 2.271 31.025 28.738 0.027 0.000 1.264 556 Q HN 0.809 nan 8.270 nan 0.000 0.448 557 R N 0.000 120.508 120.500 0.014 0.000 2.786 557 R HA 0.000 4.336 4.340 -0.006 0.000 0.208 557 R CA 0.000 56.105 56.100 0.009 0.000 0.921 557 R CB 0.000 30.305 30.300 0.008 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535