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 1gk9_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNMWVIGKSK AQDAKAIMVN GPQFGWYAPA YTYGIGLHGA GYDVTGNTPF DATA SEQUENCE AYPGLVFGHN GVISWGSTAG FGDDVDIFAE RLSAEKPGYY LHNGKWVKML DATA SEQUENCE SREETITVKN GQAETFTVWR TVHGNILQTD QTTQTAYAKS RAWDGKEVAS DATA SEQUENCE LLAWTHQMKA KNWQEWTQQA AKQALTINWY YADVNGNIGY VHTGAYPDRQ DATA SEQUENCE SGHDPRLPVP GTGKWDWKGL LPFEMNPKVY NPQSGYIANW 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 0.000 174.697 174.600 0.161 0.000 1.055 1 S CA 0.000 58.292 58.200 0.153 0.000 1.107 1 S CB 0.000 63.255 63.200 0.091 0.000 0.593 2 N N 0.445 119.039 118.700 -0.176 0.000 2.453 2 N HA 0.905 5.675 4.740 0.049 0.000 0.290 2 N C -0.936 174.378 175.510 -0.328 0.000 1.250 2 N CA -0.918 51.946 53.050 -0.310 0.000 0.815 2 N CB 1.015 39.013 38.487 -0.815 0.000 1.381 2 N HN 0.593 nan 8.380 nan 0.000 0.510 3 M N -0.311 119.120 119.600 -0.281 0.000 2.365 3 M HA 0.570 5.079 4.480 0.049 0.000 0.288 3 M C -2.539 173.666 176.300 -0.159 0.000 1.152 3 M CA -0.437 54.566 55.300 -0.494 0.000 0.948 3 M CB 1.484 33.628 32.600 -0.761 0.000 1.729 3 M HN 0.795 nan 8.290 nan 0.000 0.487 4 W N 3.859 125.015 121.300 -0.241 0.000 2.781 4 W HA 0.817 5.504 4.660 0.044 0.000 0.333 4 W C -2.060 174.411 176.519 -0.081 0.000 1.047 4 W CA -1.244 56.015 57.345 -0.143 0.000 1.236 4 W CB 0.662 30.029 29.460 -0.156 0.000 1.394 4 W HN 0.504 nan 8.180 nan 0.000 0.466 5 V N 5.572 125.584 119.914 0.164 0.000 2.409 5 V HA 0.437 4.587 4.120 0.049 0.000 0.291 5 V C -0.224 175.991 176.094 0.202 0.000 1.020 5 V CA -0.966 61.420 62.300 0.144 0.000 0.848 5 V CB 1.192 33.120 31.823 0.175 0.000 0.990 5 V HN 0.480 nan 8.190 nan 0.000 0.430 6 I N 4.290 124.958 120.570 0.164 0.000 2.330 6 I HA 0.580 4.779 4.170 0.049 0.000 0.289 6 I C 0.870 177.053 176.117 0.110 0.000 1.001 6 I CA 0.092 61.482 61.300 0.151 0.000 1.193 6 I CB 1.108 39.180 38.000 0.119 0.000 1.345 6 I HN 0.708 nan 8.210 nan 0.000 0.461 7 G N 4.428 113.283 108.800 0.091 0.000 2.537 7 G HA2 0.267 4.256 3.960 0.049 0.000 0.297 7 G HA3 0.267 4.256 3.960 0.049 0.000 0.297 7 G C 0.769 175.687 174.900 0.029 0.000 1.310 7 G CA -0.438 44.686 45.100 0.040 0.000 1.027 7 G HN 0.674 nan 8.290 nan 0.000 0.505 8 K N -0.746 119.654 120.400 0.001 0.000 2.113 8 K HA -0.182 4.167 4.320 0.049 0.000 0.208 8 K C 2.535 179.138 176.600 0.006 0.000 1.047 8 K CA 2.092 58.380 56.287 0.002 0.000 0.928 8 K CB -0.214 32.276 32.500 -0.017 0.000 0.716 8 K HN 0.459 nan 8.250 nan 0.000 0.446 9 S N -0.581 115.121 115.700 0.002 0.000 2.561 9 S HA 0.048 4.547 4.470 0.049 0.000 0.225 9 S C 1.385 175.998 174.600 0.021 0.000 0.977 9 S CA 0.405 58.609 58.200 0.007 0.000 0.926 9 S CB 0.243 63.442 63.200 -0.001 0.000 0.769 9 S HN 0.160 nan 8.310 nan 0.000 0.533 10 K N 0.682 121.103 120.400 0.035 0.000 2.412 10 K HA 0.466 4.816 4.320 0.049 0.000 0.202 10 K C 0.410 177.024 176.600 0.023 0.000 1.102 10 K CA 0.361 56.671 56.287 0.038 0.000 1.027 10 K CB 0.953 33.499 32.500 0.078 0.000 0.931 10 K HN 0.422 nan 8.250 nan 0.000 0.557 11 A N 1.569 124.406 122.820 0.029 0.000 2.327 11 A HA 0.380 4.730 4.320 0.049 0.000 0.283 11 A C -0.394 177.200 177.584 0.016 0.000 1.127 11 A CA -0.126 51.928 52.037 0.028 0.000 0.810 11 A CB 0.715 19.741 19.000 0.043 0.000 1.066 11 A HN 0.065 nan 8.150 nan 0.000 0.492 12 Q N 1.239 121.046 119.800 0.011 0.000 2.322 12 Q HA 0.445 4.815 4.340 0.049 0.000 0.265 12 Q C -0.844 175.162 176.000 0.010 0.000 0.985 12 Q CA 0.113 55.919 55.803 0.005 0.000 0.849 12 Q CB 0.832 29.567 28.738 -0.006 0.000 1.274 12 Q HN 0.719 nan 8.270 nan 0.000 0.449 13 D N 1.437 121.844 120.400 0.012 0.000 3.041 13 D HA -0.191 4.478 4.640 0.049 0.000 0.220 13 D C -0.960 175.356 176.300 0.027 0.000 1.157 13 D CA 1.382 55.391 54.000 0.016 0.000 0.876 13 D CB -1.436 39.370 40.800 0.010 0.000 1.107 13 D HN 0.658 nan 8.370 nan 0.000 0.422 14 A N -1.201 121.639 122.820 0.034 0.000 2.566 14 A HA 0.545 4.895 4.320 0.049 0.000 0.290 14 A C 0.375 177.991 177.584 0.054 0.000 1.071 14 A CA -0.577 51.489 52.037 0.050 0.000 0.658 14 A CB 1.044 20.079 19.000 0.057 0.000 1.285 14 A HN -0.109 nan 8.150 nan 0.000 0.427 15 K N -0.280 120.164 120.400 0.073 0.000 2.284 15 K HA 0.480 4.830 4.320 0.049 0.000 0.198 15 K C 0.518 177.161 176.600 0.073 0.000 1.048 15 K CA 1.285 57.610 56.287 0.062 0.000 0.987 15 K CB 0.546 33.076 32.500 0.051 0.000 0.800 15 K HN 1.006 nan 8.250 nan 0.000 0.486 16 A N 0.987 123.882 122.820 0.125 0.000 2.605 16 A HA 0.653 5.002 4.320 0.049 0.000 0.294 16 A C -1.649 176.026 177.584 0.151 0.000 1.062 16 A CA -0.751 51.367 52.037 0.135 0.000 0.682 16 A CB 1.193 20.279 19.000 0.143 0.000 1.278 16 A HN 0.090 nan 8.150 nan 0.000 0.410 17 I N 1.431 122.072 120.570 0.118 0.000 2.534 17 I HA 0.505 4.705 4.170 0.049 0.000 0.288 17 I C -0.494 175.661 176.117 0.063 0.000 1.077 17 I CA -0.168 61.181 61.300 0.082 0.000 1.051 17 I CB 2.201 40.250 38.000 0.081 0.000 1.234 17 I HN 0.779 nan 8.210 nan 0.000 0.425 18 M N 7.399 127.005 119.600 0.010 0.000 2.243 18 M HA 0.684 5.194 4.480 0.049 0.000 0.324 18 M C -1.975 174.227 176.300 -0.163 0.000 1.031 18 M CA -0.554 54.713 55.300 -0.055 0.000 0.949 18 M CB 1.672 34.266 32.600 -0.010 0.000 1.615 18 M HN 0.365 nan 8.290 nan 0.000 0.430 19 V N 5.123 124.792 119.914 -0.408 0.000 2.443 19 V HA 0.450 4.599 4.120 0.049 0.000 0.293 19 V C -0.860 174.685 176.094 -0.914 0.000 1.021 19 V CA -0.712 61.196 62.300 -0.652 0.000 0.848 19 V CB 1.709 32.980 31.823 -0.920 0.000 0.998 19 V HN 0.955 nan 8.190 nan 0.000 0.424 20 N N 2.701 121.049 118.700 -0.586 0.000 2.321 20 N HA 0.725 5.495 4.740 0.049 0.000 0.299 20 N C -0.121 175.087 175.510 -0.504 0.000 1.048 20 N CA -0.410 52.340 53.050 -0.500 0.000 0.836 20 N CB 2.027 40.392 38.487 -0.203 0.000 1.269 20 N HN 0.875 nan 8.380 nan 0.000 0.486 21 G N 3.209 111.716 108.800 -0.487 0.000 4.040 21 G HA2 0.276 4.266 3.960 0.049 0.000 0.328 21 G HA3 0.276 4.266 3.960 0.049 0.000 0.328 21 G C -2.860 171.840 174.900 -0.333 0.000 1.503 21 G CA -0.861 44.001 45.100 -0.395 0.000 0.909 21 G HN 0.397 nan 8.290 nan 0.000 0.495 22 P HA 0.132 nan 4.420 nan 0.000 0.276 22 P C -0.631 176.275 177.300 -0.656 0.000 1.235 22 P CA 0.156 62.960 63.100 -0.494 0.000 0.772 22 P CB 1.593 32.968 31.700 -0.541 0.000 0.871 23 Q N 2.520 121.952 119.800 -0.613 0.000 2.425 23 Q HA 0.314 4.684 4.340 0.049 0.000 0.254 23 Q C -0.487 175.165 176.000 -0.580 0.000 1.032 23 Q CA -0.312 55.199 55.803 -0.487 0.000 0.798 23 Q CB 0.699 29.350 28.738 -0.145 0.000 1.210 23 Q HN 0.450 nan 8.270 nan 0.000 0.491 24 F N 0.500 120.158 119.950 -0.487 0.000 2.682 24 F HA 0.333 4.885 4.527 0.041 0.000 0.308 24 F C 1.218 176.725 175.800 -0.487 0.000 1.093 24 F CA 0.208 57.839 58.000 -0.615 0.000 1.244 24 F CB 0.857 39.075 39.000 -1.304 0.000 1.052 24 F HN 0.713 nan 8.300 nan 0.000 0.573 25 G N -0.231 108.258 108.800 -0.519 0.000 2.757 25 G HA2 -0.202 3.787 3.960 0.049 0.000 0.638 25 G HA3 -0.202 3.787 3.960 0.049 0.000 0.638 25 G C -1.050 173.323 174.900 -0.880 0.000 1.344 25 G CA -1.014 43.753 45.100 -0.556 0.000 0.855 25 G HN 0.123 nan 8.290 nan 0.000 0.537 26 W N -0.340 120.560 121.300 -0.667 0.000 2.683 26 W HA 0.652 5.303 4.660 -0.015 0.000 0.329 26 W C -0.973 174.979 176.519 -0.944 0.000 1.037 26 W CA -0.670 56.266 57.345 -0.681 0.000 1.232 26 W CB 1.944 30.883 29.460 -0.868 0.000 1.390 26 W HN 0.559 nan 8.180 nan 0.000 0.465 27 Y N 0.614 121.113 120.300 0.332 0.000 2.562 27 Y HA 0.626 5.224 4.550 0.081 0.000 0.345 27 Y C -0.169 175.904 175.900 0.289 0.000 1.045 27 Y CA -1.349 56.923 58.100 0.288 0.000 1.028 27 Y CB 1.910 40.514 38.460 0.239 0.000 1.297 27 Y HN 0.376 nan 8.280 nan 0.000 0.463 28 A N 3.402 126.410 122.820 0.313 0.000 2.335 28 A HA 0.748 5.098 4.320 0.049 0.000 0.304 28 A C -2.944 174.699 177.584 0.098 0.000 1.118 28 A CA -1.941 50.163 52.037 0.112 0.000 0.757 28 A CB 0.953 19.975 19.000 0.037 0.000 1.188 28 A HN 0.356 nan 8.150 nan 0.000 0.460 29 P HA 0.318 nan 4.420 nan 0.000 0.274 29 P C 0.319 177.640 177.300 0.034 0.000 1.260 29 P CA -0.052 63.032 63.100 -0.027 0.000 0.793 29 P CB 0.582 32.272 31.700 -0.017 0.000 1.048 30 A N 0.436 123.255 122.820 -0.002 0.000 2.561 30 A HA -0.107 4.242 4.320 0.049 0.000 0.234 30 A C 1.111 178.706 177.584 0.019 0.000 1.055 30 A CA 0.102 52.171 52.037 0.053 0.000 0.756 30 A CB -0.952 18.048 19.000 0.000 0.000 0.986 30 A HN 0.677 nan 8.150 nan 0.000 0.505 31 Y N 2.329 122.605 120.300 -0.041 0.000 2.224 31 Y HA -0.083 4.501 4.550 0.056 0.000 0.289 31 Y C 1.802 177.474 175.900 -0.381 0.000 1.146 31 Y CA 2.200 60.146 58.100 -0.257 0.000 1.182 31 Y CB -0.037 38.356 38.460 -0.111 0.000 0.983 31 Y HN 0.790 nan 8.280 nan 0.000 0.524 32 T N -2.510 112.021 114.554 -0.039 0.000 2.948 32 T HA 0.330 4.710 4.350 0.049 0.000 0.285 32 T C -1.530 173.172 174.700 0.003 0.000 1.019 32 T CA -0.580 61.495 62.100 -0.042 0.000 1.013 32 T CB 1.768 70.722 68.868 0.144 0.000 1.117 32 T HN 0.128 nan 8.240 nan 0.000 0.533 33 Y N 0.042 120.278 120.300 -0.107 0.000 2.346 33 Y HA 0.567 5.145 4.550 0.047 0.000 0.332 33 Y C 0.142 176.016 175.900 -0.043 0.000 0.985 33 Y CA -0.749 57.297 58.100 -0.090 0.000 1.112 33 Y CB 1.350 39.731 38.460 -0.132 0.000 1.170 33 Y HN 1.134 nan 8.280 nan 0.000 0.447 34 G N 5.351 113.844 108.800 -0.511 0.000 2.403 34 G HA2 0.471 4.460 3.960 0.049 0.000 0.259 34 G HA3 0.471 4.460 3.960 0.049 0.000 0.259 34 G C -1.520 173.160 174.900 -0.366 0.000 1.244 34 G CA -0.130 44.772 45.100 -0.331 0.000 0.849 34 G HN 0.656 nan 8.290 nan 0.000 0.532 35 I N 0.882 121.381 120.570 -0.117 0.000 2.787 35 I HA 0.661 4.861 4.170 0.049 0.000 0.294 35 I C -0.195 175.906 176.117 -0.028 0.000 1.365 35 I CA -0.471 60.814 61.300 -0.024 0.000 1.029 35 I CB 2.101 40.175 38.000 0.123 0.000 1.313 35 I HN 0.734 nan 8.210 nan 0.000 0.431 36 G N 7.064 115.848 108.800 -0.028 0.000 2.513 36 G HA2 0.711 4.701 3.960 0.049 0.000 0.317 36 G HA3 0.711 4.701 3.960 0.049 0.000 0.317 36 G C -1.779 172.945 174.900 -0.293 0.000 1.277 36 G CA -0.611 44.422 45.100 -0.113 0.000 0.955 36 G HN 0.605 nan 8.290 nan 0.000 0.484 37 L N 2.810 123.700 121.223 -0.555 0.000 2.381 37 L HA 0.522 4.891 4.340 0.049 0.000 0.274 37 L C -0.941 175.572 176.870 -0.596 0.000 0.988 37 L CA -0.974 53.606 54.840 -0.435 0.000 0.824 37 L CB 2.275 44.181 42.059 -0.255 0.000 1.263 37 L HN 0.486 nan 8.230 nan 0.000 0.410 38 H N 2.707 121.832 119.070 0.091 0.000 3.172 38 H HA 0.679 5.265 4.556 0.049 0.000 0.322 38 H C -0.027 175.367 175.328 0.110 0.000 1.003 38 H CA -0.569 55.545 56.048 0.110 0.000 1.466 38 H CB 2.120 31.927 29.762 0.075 0.000 1.673 38 H HN 0.831 nan 8.280 nan 0.000 0.512 39 G N 0.525 109.461 108.800 0.226 0.000 2.340 39 G HA2 0.377 4.367 3.960 0.049 0.000 0.527 39 G HA3 0.377 4.367 3.960 0.049 0.000 0.527 39 G C -0.093 174.932 174.900 0.208 0.000 1.381 39 G CA -0.295 44.910 45.100 0.175 0.000 1.001 39 G HN 1.130 nan 8.290 nan 0.000 0.626 40 A N -1.249 121.662 122.820 0.152 0.000 2.832 40 A HA 0.385 4.735 4.320 0.049 0.000 0.280 40 A C 2.443 180.085 177.584 0.096 0.000 1.464 40 A CA 2.115 54.243 52.037 0.152 0.000 0.804 40 A CB -1.559 17.560 19.000 0.199 0.000 1.020 40 A HN 3.290 nan 8.150 nan 0.000 0.563 41 G N -4.121 104.695 108.800 0.028 0.000 2.175 41 G HA2 -0.249 3.740 3.960 0.049 0.000 0.244 41 G HA3 -0.249 3.740 3.960 0.049 0.000 0.244 41 G C -0.024 174.749 174.900 -0.212 0.000 0.982 41 G CA 0.691 45.724 45.100 -0.112 0.000 0.641 41 G HN 1.490 nan 8.290 nan 0.000 0.527 42 Y N 0.335 120.681 120.300 0.076 0.000 2.387 42 Y HA 0.632 5.212 4.550 0.050 0.000 0.330 42 Y C 0.125 176.080 175.900 0.093 0.000 1.133 42 Y CA -0.740 57.405 58.100 0.074 0.000 1.152 42 Y CB 1.964 40.444 38.460 0.034 0.000 1.215 42 Y HN 0.053 nan 8.280 nan 0.000 0.466 43 D N 1.815 122.375 120.400 0.267 0.000 2.445 43 D HA 0.401 5.071 4.640 0.049 0.000 0.236 43 D C -1.760 174.661 176.300 0.201 0.000 1.315 43 D CA -0.180 53.977 54.000 0.260 0.000 0.924 43 D CB 0.570 41.525 40.800 0.259 0.000 1.447 43 D HN 0.379 nan 8.370 nan 0.000 0.532 44 V N -0.142 119.803 119.914 0.052 0.000 3.078 44 V HA 0.966 5.115 4.120 0.049 0.000 0.311 44 V C -0.736 175.299 176.094 -0.100 0.000 1.138 44 V CA -0.497 61.830 62.300 0.046 0.000 1.007 44 V CB 2.017 33.982 31.823 0.236 0.000 1.045 44 V HN 0.304 nan 8.190 nan 0.000 0.432 45 T N 0.780 115.226 114.554 -0.180 0.000 2.923 45 T HA 0.914 5.293 4.350 0.049 0.000 0.311 45 T C -0.188 174.406 174.700 -0.176 0.000 1.183 45 T CA 0.624 62.620 62.100 -0.173 0.000 1.020 45 T CB 1.208 69.956 68.868 -0.199 0.000 1.165 45 T HN 2.426 nan 8.240 nan 0.000 0.482 46 G N 2.969 111.719 108.800 -0.084 0.000 2.398 46 G HA2 0.384 4.374 3.960 0.049 0.000 0.251 46 G HA3 0.384 4.374 3.960 0.049 0.000 0.251 46 G C -1.848 173.070 174.900 0.030 0.000 1.277 46 G CA -0.087 45.000 45.100 -0.022 0.000 0.927 46 G HN 1.248 nan 8.290 nan 0.000 0.477 47 N N -1.776 117.006 118.700 0.136 0.000 2.494 47 N HA 0.748 5.517 4.740 0.049 0.000 0.270 47 N C -1.026 174.644 175.510 0.268 0.000 1.285 47 N CA -0.054 53.088 53.050 0.153 0.000 0.812 47 N CB 2.512 41.064 38.487 0.108 0.000 1.557 47 N HN 0.785 nan 8.380 nan 0.000 0.487 48 T N -0.343 114.312 114.554 0.169 0.000 2.932 48 T HA 0.534 4.913 4.350 0.049 0.000 0.318 48 T C -3.103 171.506 174.700 -0.152 0.000 1.265 48 T CA -1.367 60.757 62.100 0.040 0.000 1.036 48 T CB 1.391 70.227 68.868 -0.052 0.000 1.209 48 T HN 0.431 nan 8.240 nan 0.000 0.484 49 P HA 0.328 nan 4.420 nan 0.000 0.268 49 P C -0.094 176.594 177.300 -1.020 0.000 1.204 49 P CA 0.231 62.908 63.100 -0.704 0.000 0.768 49 P CB -0.252 31.077 31.700 -0.619 0.000 0.842 50 F N 1.361 120.818 119.950 -0.822 0.000 3.100 50 F HA -0.283 4.271 4.527 0.046 0.000 0.284 50 F C 1.248 176.741 175.800 -0.512 0.000 0.875 50 F CA 0.882 58.513 58.000 -0.615 0.000 1.039 50 F CB -2.455 36.232 39.000 -0.520 0.000 1.111 50 F HN 0.550 nan 8.300 nan 0.000 0.575 51 A N -2.289 120.328 122.820 -0.338 0.000 2.640 51 A HA -0.248 4.101 4.320 0.049 0.000 0.300 51 A C 0.526 178.018 177.584 -0.153 0.000 1.499 51 A CA 0.937 52.818 52.037 -0.261 0.000 0.759 51 A CB -2.312 16.368 19.000 -0.534 0.000 1.048 51 A HN 0.540 nan 8.150 nan 0.000 0.450 52 Y N -1.635 118.607 120.300 -0.097 0.000 2.607 52 Y HA 0.216 4.795 4.550 0.049 0.000 0.348 52 Y C -0.382 175.441 175.900 -0.128 0.000 1.261 52 Y CA -0.781 57.240 58.100 -0.131 0.000 1.480 52 Y CB -0.503 37.836 38.460 -0.203 0.000 1.358 52 Y HN 0.171 nan 8.280 nan 0.000 0.630 53 P HA -0.083 nan 4.420 nan 0.000 0.216 53 P C 0.325 177.588 177.300 -0.062 0.000 1.150 53 P CA 1.736 64.807 63.100 -0.048 0.000 0.837 53 P CB 0.177 31.833 31.700 -0.073 0.000 0.786 54 G N -0.154 108.631 108.800 -0.025 0.000 2.338 54 G HA2 0.423 4.412 3.960 0.049 0.000 0.298 54 G HA3 0.423 4.412 3.960 0.049 0.000 0.298 54 G C -0.879 174.008 174.900 -0.021 0.000 1.140 54 G CA -0.286 44.802 45.100 -0.019 0.000 0.860 54 G HN -0.063 nan 8.290 nan 0.000 0.470 55 L N 2.840 124.096 121.223 0.055 0.000 2.313 55 L HA 0.132 4.501 4.340 0.049 0.000 0.282 55 L C 1.509 178.466 176.870 0.145 0.000 1.092 55 L CA 0.073 54.992 54.840 0.131 0.000 0.831 55 L CB 1.542 43.787 42.059 0.310 0.000 1.159 55 L HN 0.350 nan 8.230 nan 0.000 0.442 56 V N 3.112 122.903 119.914 -0.205 0.000 2.719 56 V HA -0.069 4.081 4.120 0.049 0.000 0.252 56 V C 0.138 176.006 176.094 -0.377 0.000 1.065 56 V CA 1.116 63.145 62.300 -0.453 0.000 1.086 56 V CB -0.611 30.622 31.823 -0.983 0.000 0.700 56 V HN 0.478 nan 8.190 nan 0.000 0.467 57 F N -0.033 120.136 119.950 0.364 0.000 2.496 57 F HA 0.797 5.355 4.527 0.051 0.000 0.341 57 F C 0.472 176.251 175.800 -0.035 0.000 1.134 57 F CA -0.523 57.572 58.000 0.159 0.000 0.968 57 F CB 1.414 40.487 39.000 0.121 0.000 1.205 57 F HN 0.037 nan 8.300 nan 0.000 0.436 58 G N 1.707 110.271 108.800 -0.392 0.000 2.321 58 G HA2 0.511 4.500 3.960 0.049 0.000 0.296 58 G HA3 0.511 4.500 3.960 0.049 0.000 0.296 58 G C -2.214 171.905 174.900 -1.300 0.000 1.287 58 G CA -0.739 44.020 45.100 -0.569 0.000 0.846 58 G HN 0.940 nan 8.290 nan 0.000 0.508 59 H N -2.076 116.415 119.070 -0.964 0.000 2.990 59 H HA 0.707 5.292 4.556 0.048 0.000 0.336 59 H C -0.232 174.969 175.328 -0.212 0.000 1.306 59 H CA -0.449 55.097 56.048 -0.837 0.000 1.118 59 H CB 1.500 31.004 29.762 -0.431 0.000 1.856 59 H HN 0.577 nan 8.280 nan 0.000 0.538 60 N N -0.022 118.795 118.700 0.195 0.000 2.299 60 N HA 0.233 5.003 4.740 0.049 0.000 0.246 60 N C 1.024 176.744 175.510 0.349 0.000 1.254 60 N CA -0.050 53.179 53.050 0.299 0.000 0.879 60 N CB 0.811 39.577 38.487 0.466 0.000 1.214 60 N HN 1.295 nan 8.380 nan 0.000 0.510 61 G N -0.979 108.157 108.800 0.559 0.000 2.205 61 G HA2 -0.317 3.672 3.960 0.049 0.000 0.261 61 G HA3 -0.317 3.672 3.960 0.049 0.000 0.261 61 G C 0.497 175.600 174.900 0.338 0.000 0.980 61 G CA 0.649 45.982 45.100 0.389 0.000 0.632 61 G HN 0.330 nan 8.290 nan 0.000 0.533 62 V N 0.260 120.377 119.914 0.337 0.000 3.103 62 V HA 0.470 4.619 4.120 0.049 0.000 0.229 62 V C 1.061 177.169 176.094 0.022 0.000 1.304 62 V CA 1.431 63.849 62.300 0.197 0.000 1.298 62 V CB 0.263 32.182 31.823 0.160 0.000 1.093 62 V HN 0.819 nan 8.190 nan 0.000 0.489 63 I N -0.770 119.895 120.570 0.158 0.000 3.002 63 I HA 0.895 5.095 4.170 0.049 0.000 0.310 63 I C -0.486 175.791 176.117 0.267 0.000 1.087 63 I CA -0.455 60.818 61.300 -0.046 0.000 1.017 63 I CB 2.456 40.370 38.000 -0.143 0.000 1.226 63 I HN 0.172 nan 8.210 nan 0.000 0.443 64 S N 1.690 117.458 115.700 0.113 0.000 2.632 64 S HA 0.868 5.367 4.470 0.049 0.000 0.289 64 S C -1.382 173.231 174.600 0.021 0.000 1.115 64 S CA -0.605 57.549 58.200 -0.076 0.000 0.889 64 S CB 1.513 64.672 63.200 -0.068 0.000 1.116 64 S HN 1.037 nan 8.310 nan 0.000 0.486 65 W N -0.763 120.606 121.300 0.116 0.000 3.075 65 W HA 0.909 5.598 4.660 0.048 0.000 0.334 65 W C -0.381 176.288 176.519 0.250 0.000 1.243 65 W CA -0.634 56.809 57.345 0.165 0.000 1.170 65 W CB 0.782 30.366 29.460 0.207 0.000 1.452 65 W HN 1.132 nan 8.180 nan 0.000 0.572 66 G N -0.001 109.161 108.800 0.603 0.000 2.550 66 G HA2 0.598 4.587 3.960 0.049 0.000 0.293 66 G HA3 0.598 4.587 3.960 0.049 0.000 0.293 66 G C -1.845 173.507 174.900 0.755 0.000 1.402 66 G CA -0.928 44.539 45.100 0.611 0.000 0.784 66 G HN 0.667 nan 8.290 nan 0.000 0.482 67 S N -1.169 115.007 115.700 0.794 0.000 2.588 67 S HA 0.888 5.388 4.470 0.049 0.000 0.275 67 S C -0.528 174.536 174.600 0.774 0.000 1.130 67 S CA -0.199 58.522 58.200 0.868 0.000 0.855 67 S CB 2.047 65.743 63.200 0.826 0.000 1.116 67 S HN 1.454 nan 8.310 nan 0.000 0.472 68 T N -1.032 114.002 114.554 0.800 0.000 2.909 68 T HA 0.819 5.199 4.350 0.049 0.000 0.299 68 T C -0.292 174.745 174.700 0.560 0.000 1.073 68 T CA -0.799 61.651 62.100 0.584 0.000 0.999 68 T CB 1.457 70.650 68.868 0.543 0.000 1.098 68 T HN 0.811 nan 8.240 nan 0.000 0.477 69 A N 1.157 124.261 122.820 0.474 0.000 2.498 69 A HA 0.566 4.915 4.320 0.049 0.000 0.239 69 A C 1.488 179.382 177.584 0.516 0.000 1.068 69 A CA 0.110 52.367 52.037 0.365 0.000 0.766 69 A CB -0.379 18.727 19.000 0.177 0.000 1.003 69 A HN 1.303 nan 8.150 nan 0.000 0.497 70 G N 0.271 109.281 108.800 0.350 0.000 2.426 70 G HA2 0.224 4.214 3.960 0.049 0.000 0.214 70 G HA3 0.224 4.214 3.960 0.049 0.000 0.214 70 G C 0.412 175.809 174.900 0.829 0.000 1.156 70 G CA 0.410 45.868 45.100 0.597 0.000 0.802 70 G HN 0.900 nan 8.290 nan 0.000 0.534 71 F N 0.136 120.315 119.950 0.381 0.000 3.074 71 F HA -0.174 4.380 4.527 0.046 0.000 0.287 71 F C 1.490 177.405 175.800 0.191 0.000 0.932 71 F CA -0.083 57.975 58.000 0.098 0.000 0.995 71 F CB -1.524 37.368 39.000 -0.179 0.000 0.966 71 F HN 0.328 nan 8.300 nan 0.000 0.721 72 G N -0.023 109.130 108.800 0.588 0.000 2.562 72 G HA2 0.359 4.348 3.960 0.049 0.000 0.275 72 G HA3 0.359 4.348 3.960 0.049 0.000 0.275 72 G C -0.672 174.412 174.900 0.306 0.000 1.196 72 G CA -0.320 45.134 45.100 0.590 0.000 0.908 72 G HN 0.193 nan 8.290 nan 0.000 0.524 73 D N 0.153 120.658 120.400 0.175 0.000 2.453 73 D HA 0.140 4.809 4.640 0.049 0.000 0.223 73 D C 0.187 176.616 176.300 0.215 0.000 1.183 73 D CA -0.582 53.482 54.000 0.107 0.000 0.933 73 D CB 0.718 41.511 40.800 -0.012 0.000 1.038 73 D HN 0.330 nan 8.370 nan 0.000 0.513 74 D N 1.940 122.477 120.400 0.229 0.000 2.462 74 D HA 0.062 4.731 4.640 0.049 0.000 0.221 74 D C -0.293 176.112 176.300 0.175 0.000 1.173 74 D CA -0.301 53.796 54.000 0.163 0.000 0.831 74 D CB 0.167 41.026 40.800 0.099 0.000 1.001 74 D HN 0.041 nan 8.370 nan 0.000 0.499 75 V N 0.752 120.789 119.914 0.205 0.000 2.623 75 V HA 0.381 4.531 4.120 0.049 0.000 0.304 75 V C -1.106 175.138 176.094 0.249 0.000 1.054 75 V CA -0.777 61.662 62.300 0.231 0.000 0.882 75 V CB 2.180 34.095 31.823 0.154 0.000 1.002 75 V HN -0.033 nan 8.190 nan 0.000 0.424 76 D N 3.408 124.016 120.400 0.347 0.000 2.490 76 D HA 0.659 5.329 4.640 0.049 0.000 0.232 76 D C -0.639 175.703 176.300 0.070 0.000 1.053 76 D CA -0.323 53.810 54.000 0.221 0.000 0.914 76 D CB 2.817 43.831 40.800 0.356 0.000 1.431 76 D HN 0.335 nan 8.370 nan 0.000 0.483 77 I N 0.878 121.415 120.570 -0.054 0.000 2.441 77 I HA 0.354 4.554 4.170 0.049 0.000 0.295 77 I C -0.643 175.323 176.117 -0.252 0.000 0.994 77 I CA -0.731 60.552 61.300 -0.029 0.000 1.144 77 I CB 1.040 39.063 38.000 0.038 0.000 1.314 77 I HN 0.060 nan 8.210 nan 0.000 0.445 78 F N 3.887 123.741 119.950 -0.159 0.000 2.427 78 F HA 0.523 5.080 4.527 0.049 0.000 0.346 78 F C 0.553 176.225 175.800 -0.214 0.000 1.120 78 F CA -0.614 57.199 58.000 -0.313 0.000 1.033 78 F CB 1.775 40.316 39.000 -0.765 0.000 1.126 78 F HN 0.435 nan 8.300 nan 0.000 0.462 79 A N 4.058 126.823 122.820 -0.092 0.000 2.415 79 A HA 0.371 4.720 4.320 0.049 0.000 0.309 79 A C -0.070 177.403 177.584 -0.186 0.000 1.356 79 A CA -0.635 51.238 52.037 -0.273 0.000 0.998 79 A CB -0.310 18.558 19.000 -0.219 0.000 1.145 79 A HN 0.589 nan 8.150 nan 0.000 0.545 80 E N 1.390 121.468 120.200 -0.203 0.000 2.331 80 E HA 0.155 4.534 4.350 0.049 0.000 0.272 80 E C -0.006 176.573 176.600 -0.035 0.000 1.036 80 E CA -0.344 56.020 56.400 -0.060 0.000 0.864 80 E CB 1.233 30.873 29.700 -0.100 0.000 1.035 80 E HN 0.609 nan 8.360 nan 0.000 0.408 81 R N 3.316 123.856 120.500 0.067 0.000 2.216 81 R HA 0.282 4.652 4.340 0.049 0.000 0.332 81 R C -0.403 176.041 176.300 0.241 0.000 1.056 81 R CA -0.136 56.021 56.100 0.094 0.000 0.901 81 R CB 0.062 30.392 30.300 0.051 0.000 1.039 81 R HN 0.408 nan 8.270 nan 0.000 0.456 82 L N 1.796 123.156 121.223 0.227 0.000 2.376 82 L HA 0.608 4.977 4.340 0.049 0.000 0.267 82 L C 0.008 177.055 176.870 0.294 0.000 1.035 82 L CA -1.088 53.926 54.840 0.291 0.000 0.800 82 L CB 1.756 43.878 42.059 0.105 0.000 1.290 82 L HN 0.617 nan 8.230 nan 0.000 0.462 83 S N -1.263 114.505 115.700 0.113 0.000 2.546 83 S HA 0.555 5.055 4.470 0.049 0.000 0.272 83 S C 0.249 174.777 174.600 -0.120 0.000 1.140 83 S CA -0.013 58.132 58.200 -0.093 0.000 0.920 83 S CB 1.851 64.752 63.200 -0.498 0.000 1.083 83 S HN 0.682 nan 8.310 nan 0.000 0.476 84 A N 3.282 126.047 122.820 -0.092 0.000 2.015 84 A HA 0.058 4.407 4.320 0.049 0.000 0.219 84 A C 1.564 179.078 177.584 -0.117 0.000 1.163 84 A CA 1.303 53.291 52.037 -0.081 0.000 0.646 84 A CB -0.523 18.446 19.000 -0.053 0.000 0.806 84 A HN 0.914 nan 8.150 nan 0.000 0.448 85 E N -0.216 119.877 120.200 -0.178 0.000 2.274 85 E HA -0.068 4.311 4.350 0.049 0.000 0.194 85 E C -0.139 176.298 176.600 -0.273 0.000 0.996 85 E CA 0.732 57.004 56.400 -0.213 0.000 0.840 85 E CB -0.014 29.549 29.700 -0.228 0.000 0.772 85 E HN 0.500 nan 8.360 nan 0.000 0.491 86 K N 1.259 121.467 120.400 -0.319 0.000 2.827 86 K HA 0.260 4.609 4.320 0.049 0.000 0.186 86 K C -2.800 173.774 176.600 -0.043 0.000 1.093 86 K CA -1.715 54.391 56.287 -0.301 0.000 0.993 86 K CB 1.688 33.815 32.500 -0.620 0.000 1.199 86 K HN -0.132 nan 8.250 nan 0.000 0.598 87 P HA 0.005 nan 4.420 nan 0.000 0.267 87 P C 0.845 178.242 177.300 0.162 0.000 1.205 87 P CA 0.801 63.930 63.100 0.048 0.000 0.765 87 P CB 0.893 32.606 31.700 0.021 0.000 0.828 88 G N 1.023 109.840 108.800 0.030 0.000 2.176 88 G HA2 -0.239 3.751 3.960 0.049 0.000 0.253 88 G HA3 -0.239 3.751 3.960 0.049 0.000 0.253 88 G C -0.380 174.547 174.900 0.046 0.000 0.979 88 G CA -0.252 44.852 45.100 0.007 0.000 0.641 88 G HN 0.443 nan 8.290 nan 0.000 0.530 89 Y N -0.392 119.997 120.300 0.149 0.000 2.549 89 Y HA 0.724 5.303 4.550 0.049 0.000 0.339 89 Y C 0.257 176.423 175.900 0.444 0.000 1.053 89 Y CA -1.049 57.211 58.100 0.267 0.000 1.105 89 Y CB 1.560 40.155 38.460 0.225 0.000 1.258 89 Y HN 0.433 nan 8.280 nan 0.000 0.478 90 Y N -0.329 120.237 120.300 0.443 0.000 2.588 90 Y HA 0.670 5.250 4.550 0.050 0.000 0.343 90 Y C -1.911 174.031 175.900 0.071 0.000 1.065 90 Y CA -2.030 56.249 58.100 0.300 0.000 1.038 90 Y CB 0.702 39.228 38.460 0.110 0.000 1.297 90 Y HN 0.468 nan 8.280 nan 0.000 0.467 91 L N 4.289 125.329 121.223 -0.305 0.000 2.281 91 L HA 0.445 4.814 4.340 0.049 0.000 0.285 91 L C -0.942 175.785 176.870 -0.238 0.000 1.074 91 L CA 0.227 54.615 54.840 -0.754 0.000 0.817 91 L CB -0.007 41.409 42.059 -1.072 0.000 1.168 91 L HN 0.892 nan 8.230 nan 0.000 0.434 92 H N 5.744 124.587 119.070 -0.378 0.000 3.096 92 H HA 0.225 4.811 4.556 0.049 0.000 0.335 92 H C -0.476 174.740 175.328 -0.186 0.000 0.990 92 H CA -0.527 55.408 56.048 -0.188 0.000 1.393 92 H CB 0.983 30.659 29.762 -0.143 0.000 1.742 92 H HN 0.745 nan 8.280 nan 0.000 0.501 93 N N 3.387 121.762 118.700 -0.542 0.000 2.725 93 N HA -0.182 4.587 4.740 0.049 0.000 0.251 93 N C 1.071 176.427 175.510 -0.258 0.000 1.031 93 N CA 1.630 54.435 53.050 -0.409 0.000 0.720 93 N CB -1.352 36.852 38.487 -0.471 0.000 0.930 93 N HN 1.087 nan 8.380 nan 0.000 0.543 94 G N -1.604 107.047 108.800 -0.247 0.000 2.184 94 G HA2 -0.344 3.646 3.960 0.049 0.000 0.264 94 G HA3 -0.344 3.646 3.960 0.049 0.000 0.264 94 G C 0.003 174.772 174.900 -0.219 0.000 0.975 94 G CA 0.957 45.934 45.100 -0.206 0.000 0.642 94 G HN 0.521 nan 8.290 nan 0.000 0.536 95 K N -1.043 119.202 120.400 -0.259 0.000 2.318 95 K HA 0.456 4.805 4.320 0.049 0.000 0.249 95 K C -0.989 175.428 176.600 -0.304 0.000 0.942 95 K CA -0.947 55.222 56.287 -0.195 0.000 0.808 95 K CB 1.559 34.003 32.500 -0.093 0.000 1.189 95 K HN 0.105 nan 8.250 nan 0.000 0.428 96 W N 1.971 123.248 121.300 -0.038 0.000 2.387 96 W HA 0.264 4.953 4.660 0.049 0.000 0.310 96 W C -0.155 176.413 176.519 0.081 0.000 1.181 96 W CA -0.535 56.809 57.345 -0.002 0.000 1.333 96 W CB 0.855 30.291 29.460 -0.040 0.000 1.286 96 W HN 0.048 nan 8.180 nan 0.000 0.455 97 V N 4.299 124.239 119.914 0.044 0.000 2.547 97 V HA 0.267 4.417 4.120 0.049 0.000 0.299 97 V C 0.216 176.198 176.094 -0.186 0.000 1.040 97 V CA -1.614 60.590 62.300 -0.161 0.000 0.913 97 V CB 1.562 33.025 31.823 -0.600 0.000 0.992 97 V HN 0.316 nan 8.190 nan 0.000 0.449 98 K N 3.924 124.180 120.400 -0.240 0.000 2.322 98 K HA 0.412 4.761 4.320 0.049 0.000 0.283 98 K C -0.074 176.495 176.600 -0.050 0.000 1.042 98 K CA -0.247 55.744 56.287 -0.494 0.000 0.958 98 K CB 0.547 32.802 32.500 -0.408 0.000 0.984 98 K HN 0.604 nan 8.250 nan 0.000 0.473 99 M N 3.947 123.588 119.600 0.068 0.000 2.226 99 M HA 0.151 4.660 4.480 0.049 0.000 0.324 99 M C -0.052 176.328 176.300 0.132 0.000 1.112 99 M CA -0.277 55.167 55.300 0.240 0.000 1.176 99 M CB 0.579 33.384 32.600 0.342 0.000 1.430 99 M HN 0.402 nan 8.290 nan 0.000 0.462 100 L N 1.306 122.578 121.223 0.083 0.000 2.395 100 L HA 0.409 4.778 4.340 0.049 0.000 0.269 100 L C 0.206 177.038 176.870 -0.064 0.000 1.133 100 L CA -0.272 54.562 54.840 -0.011 0.000 0.812 100 L CB 1.032 43.065 42.059 -0.044 0.000 1.125 100 L HN 0.829 nan 8.230 nan 0.000 0.452 101 S N 1.979 117.544 115.700 -0.225 0.000 2.579 101 S HA 0.831 5.330 4.470 0.049 0.000 0.272 101 S C -0.982 173.374 174.600 -0.407 0.000 1.141 101 S CA -1.091 56.806 58.200 -0.506 0.000 0.843 101 S CB 2.602 65.160 63.200 -1.069 0.000 1.122 101 S HN 0.778 nan 8.310 nan 0.000 0.468 102 R N 0.538 120.760 120.500 -0.463 0.000 2.668 102 R HA 0.621 4.991 4.340 0.049 0.000 0.272 102 R C -1.515 174.532 176.300 -0.423 0.000 1.019 102 R CA -0.827 55.060 56.100 -0.355 0.000 0.894 102 R CB 1.473 31.619 30.300 -0.257 0.000 1.228 102 R HN 0.689 nan 8.270 nan 0.000 0.460 103 E N 1.521 121.526 120.200 -0.326 0.000 2.231 103 E HA 0.246 4.625 4.350 0.049 0.000 0.277 103 E C -0.767 175.651 176.600 -0.303 0.000 0.999 103 E CA -0.865 55.338 56.400 -0.327 0.000 0.827 103 E CB 1.730 31.304 29.700 -0.210 0.000 1.101 103 E HN 0.390 nan 8.360 nan 0.000 0.393 104 E N 1.301 121.274 120.200 -0.379 0.000 2.293 104 E HA 0.345 4.725 4.350 0.049 0.000 0.270 104 E C -1.118 175.453 176.600 -0.048 0.000 0.879 104 E CA -0.606 55.652 56.400 -0.236 0.000 0.756 104 E CB 2.390 31.886 29.700 -0.339 0.000 1.208 104 E HN 0.285 nan 8.360 nan 0.000 0.428 105 T N 2.802 117.365 114.554 0.014 0.000 2.792 105 T HA 0.410 4.789 4.350 0.049 0.000 0.280 105 T C 0.171 174.919 174.700 0.080 0.000 0.990 105 T CA -0.625 61.513 62.100 0.063 0.000 0.960 105 T CB 0.539 69.421 68.868 0.024 0.000 0.939 105 T HN 0.189 nan 8.240 nan 0.000 0.439 106 I N 3.927 124.560 120.570 0.105 0.000 2.308 106 I HA 0.201 4.400 4.170 0.049 0.000 0.293 106 I C 1.009 177.148 176.117 0.036 0.000 1.078 106 I CA -0.315 61.026 61.300 0.069 0.000 1.292 106 I CB -0.057 37.977 38.000 0.056 0.000 1.423 106 I HN 0.524 nan 8.210 nan 0.000 0.493 107 T N 6.184 120.751 114.554 0.021 0.000 2.897 107 T HA 0.445 4.824 4.350 0.049 0.000 0.294 107 T C 0.223 174.927 174.700 0.006 0.000 1.004 107 T CA -0.218 61.889 62.100 0.011 0.000 1.106 107 T CB 1.443 70.315 68.868 0.005 0.000 0.949 107 T HN 0.301 nan 8.240 nan 0.000 0.520 108 V N 3.927 123.844 119.914 0.005 0.000 2.443 108 V HA 0.354 4.504 4.120 0.049 0.000 0.293 108 V C 0.047 176.142 176.094 0.001 0.000 1.021 108 V CA -1.186 61.115 62.300 0.002 0.000 0.848 108 V CB 1.648 33.473 31.823 0.003 0.000 0.998 108 V HN 0.708 nan 8.190 nan 0.000 0.424 109 K N 4.232 124.632 120.400 -0.000 0.000 2.472 109 K HA 0.091 4.440 4.320 0.049 0.000 0.280 109 K C 0.707 177.308 176.600 0.002 0.000 1.028 109 K CA 1.032 57.319 56.287 0.001 0.000 1.045 109 K CB -0.659 31.841 32.500 -0.000 0.000 0.902 109 K HN 0.752 nan 8.250 nan 0.000 0.478 110 N N 1.449 120.151 118.700 0.003 0.000 2.725 110 N HA -0.227 4.543 4.740 0.049 0.000 0.249 110 N C -0.284 175.229 175.510 0.004 0.000 1.103 110 N CA 0.557 53.609 53.050 0.004 0.000 0.707 110 N CB -0.911 37.578 38.487 0.004 0.000 1.043 110 N HN 0.731 nan 8.380 nan 0.000 0.553 111 G N -0.410 108.392 108.800 0.004 0.000 2.687 111 G HA2 0.500 4.490 3.960 0.049 0.000 0.291 111 G HA3 0.500 4.490 3.960 0.049 0.000 0.291 111 G C -1.634 173.270 174.900 0.006 0.000 1.420 111 G CA -0.699 44.404 45.100 0.005 0.000 0.796 111 G HN 0.124 nan 8.290 nan 0.000 0.485 112 Q N 0.007 119.812 119.800 0.008 0.000 2.288 112 Q HA 0.596 4.965 4.340 0.049 0.000 0.254 112 Q C 0.436 176.443 176.000 0.013 0.000 0.932 112 Q CA -0.441 55.368 55.803 0.010 0.000 0.902 112 Q CB 1.135 29.879 28.738 0.011 0.000 1.203 112 Q HN 0.815 nan 8.270 nan 0.000 0.415 113 A N 3.725 126.554 122.820 0.016 0.000 2.425 113 A HA 0.179 4.529 4.320 0.049 0.000 0.242 113 A C -0.412 177.191 177.584 0.032 0.000 1.077 113 A CA -0.094 51.956 52.037 0.023 0.000 0.781 113 A CB 0.510 19.523 19.000 0.022 0.000 1.020 113 A HN 0.862 nan 8.150 nan 0.000 0.494 114 E N 0.343 120.570 120.200 0.046 0.000 2.210 114 E HA 0.519 4.898 4.350 0.049 0.000 0.266 114 E C -1.140 175.533 176.600 0.122 0.000 0.883 114 E CA -0.465 55.974 56.400 0.065 0.000 0.761 114 E CB 1.486 31.209 29.700 0.039 0.000 1.156 114 E HN 0.576 nan 8.360 nan 0.000 0.412 115 T N 4.330 118.964 114.554 0.134 0.000 2.823 115 T HA 0.587 4.967 4.350 0.049 0.000 0.279 115 T C -1.002 173.855 174.700 0.263 0.000 0.998 115 T CA -0.503 61.694 62.100 0.161 0.000 0.994 115 T CB 0.391 69.299 68.868 0.067 0.000 0.960 115 T HN 0.430 nan 8.240 nan 0.000 0.448 116 F N -0.651 119.296 119.950 -0.006 0.000 2.685 116 F HA 0.818 5.375 4.527 0.050 0.000 0.315 116 F C -0.984 174.795 175.800 -0.035 0.000 1.126 116 F CA -1.114 56.890 58.000 0.007 0.000 0.950 116 F CB 0.810 39.827 39.000 0.028 0.000 1.360 116 F HN 0.361 nan 8.300 nan 0.000 0.469 117 T N 1.820 116.221 114.554 -0.255 0.000 2.856 117 T HA 0.670 5.050 4.350 0.049 0.000 0.283 117 T C -1.040 173.373 174.700 -0.479 0.000 1.008 117 T CA -0.594 61.207 62.100 -0.499 0.000 0.997 117 T CB 1.788 70.406 68.868 -0.415 0.000 0.992 117 T HN 0.585 nan 8.240 nan 0.000 0.454 118 V N 2.885 122.441 119.914 -0.597 0.000 2.435 118 V HA 0.510 4.660 4.120 0.049 0.000 0.290 118 V C -1.013 174.851 176.094 -0.383 0.000 1.030 118 V CA -0.937 61.192 62.300 -0.286 0.000 0.881 118 V CB 1.164 32.853 31.823 -0.222 0.000 0.983 118 V HN 0.838 nan 8.190 nan 0.000 0.445 119 W N 3.736 125.012 121.300 -0.040 0.000 2.627 119 W HA 0.820 5.509 4.660 0.048 0.000 0.339 119 W C 0.146 176.626 176.519 -0.064 0.000 1.058 119 W CA -0.629 56.687 57.345 -0.049 0.000 1.223 119 W CB 1.395 30.837 29.460 -0.030 0.000 1.389 119 W HN 0.392 nan 8.180 nan 0.000 0.541 120 R N 1.242 121.825 120.500 0.138 0.000 2.604 120 R HA 0.571 4.940 4.340 0.049 0.000 0.281 120 R C -0.404 175.859 176.300 -0.061 0.000 1.020 120 R CA -0.342 55.763 56.100 0.009 0.000 0.899 120 R CB 1.750 32.032 30.300 -0.030 0.000 1.205 120 R HN 0.629 nan 8.270 nan 0.000 0.450 121 T N -0.978 113.459 114.554 -0.195 0.000 2.841 121 T HA 0.171 4.551 4.350 0.049 0.000 0.276 121 T C 0.953 175.463 174.700 -0.316 0.000 1.003 121 T CA -0.471 61.402 62.100 -0.378 0.000 0.995 121 T CB 1.193 69.525 68.868 -0.893 0.000 1.260 121 T HN 0.271 nan 8.240 nan 0.000 0.581 122 V N 0.560 120.234 119.914 -0.400 0.000 2.688 122 V HA -0.163 3.987 4.120 0.049 0.000 0.256 122 V C 2.097 177.797 176.094 -0.658 0.000 1.084 122 V CA 2.087 64.075 62.300 -0.519 0.000 1.103 122 V CB -1.332 30.064 31.823 -0.712 0.000 0.688 122 V HN 0.952 nan 8.190 nan 0.000 0.480 123 H N -0.441 118.348 119.070 -0.469 0.000 2.448 123 H HA 0.466 5.051 4.556 0.049 0.000 0.292 123 H C 1.002 176.121 175.328 -0.348 0.000 1.035 123 H CA 0.608 56.322 56.048 -0.557 0.000 1.349 123 H CB 0.324 29.692 29.762 -0.657 0.000 1.425 123 H HN 0.630 nan 8.280 nan 0.000 0.539 124 G N -0.572 108.131 108.800 -0.162 0.000 2.362 124 G HA2 -0.106 3.884 3.960 0.049 0.000 0.288 124 G HA3 -0.106 3.884 3.960 0.049 0.000 0.288 124 G C -1.640 173.218 174.900 -0.069 0.000 1.305 124 G CA -1.061 43.972 45.100 -0.112 0.000 0.910 124 G HN 0.089 nan 8.290 nan 0.000 0.518 125 N N 0.057 118.739 118.700 -0.030 0.000 2.513 125 N HA 0.288 5.057 4.740 0.049 0.000 0.268 125 N C 0.323 175.864 175.510 0.052 0.000 1.180 125 N CA 0.001 53.063 53.050 0.019 0.000 0.948 125 N CB 1.180 39.689 38.487 0.037 0.000 1.083 125 N HN 0.477 nan 8.380 nan 0.000 0.455 126 I N 2.397 123.020 120.570 0.089 0.000 2.533 126 I HA -0.051 4.148 4.170 0.049 0.000 0.284 126 I C 1.540 177.740 176.117 0.138 0.000 1.109 126 I CA -0.076 61.285 61.300 0.102 0.000 1.412 126 I CB 0.699 38.757 38.000 0.096 0.000 1.396 126 I HN 0.387 nan 8.210 nan 0.000 0.543 127 L N 5.704 127.009 121.223 0.137 0.000 2.221 127 L HA 0.079 4.449 4.340 0.049 0.000 0.202 127 L C 0.564 177.518 176.870 0.140 0.000 1.074 127 L CA 0.617 55.538 54.840 0.136 0.000 0.795 127 L CB -0.073 42.059 42.059 0.122 0.000 0.960 127 L HN 0.690 nan 8.230 nan 0.000 0.458 128 Q N -1.892 118.008 119.800 0.167 0.000 2.578 128 Q HA 0.443 4.812 4.340 0.049 0.000 0.284 128 Q C -1.406 174.720 176.000 0.211 0.000 0.960 128 Q CA -0.818 55.082 55.803 0.162 0.000 0.809 128 Q CB 1.887 30.701 28.738 0.127 0.000 1.462 128 Q HN -0.222 nan 8.270 nan 0.000 0.392 129 T N 1.133 115.774 114.554 0.144 0.000 2.893 129 T HA 0.363 4.743 4.350 0.049 0.000 0.293 129 T C -1.697 173.066 174.700 0.106 0.000 1.027 129 T CA -0.517 61.640 62.100 0.095 0.000 0.988 129 T CB 1.483 70.347 68.868 -0.007 0.000 1.043 129 T HN 0.578 nan 8.240 nan 0.000 0.461 130 D N 1.826 122.290 120.400 0.106 0.000 2.464 130 D HA 0.263 4.932 4.640 0.049 0.000 0.243 130 D C 0.901 177.226 176.300 0.042 0.000 1.104 130 D CA -0.397 53.661 54.000 0.096 0.000 0.883 130 D CB 1.289 42.185 40.800 0.160 0.000 1.050 130 D HN 0.435 nan 8.370 nan 0.000 0.524 131 Q N 0.995 120.811 119.800 0.028 0.000 2.291 131 Q HA -0.064 4.306 4.340 0.049 0.000 0.205 131 Q C 1.518 177.527 176.000 0.017 0.000 0.970 131 Q CA 1.149 56.959 55.803 0.011 0.000 0.876 131 Q CB 0.229 28.970 28.738 0.006 0.000 0.935 131 Q HN 0.415 nan 8.270 nan 0.000 0.455 132 T N 0.420 114.990 114.554 0.027 0.000 2.708 132 T HA -0.138 4.241 4.350 0.049 0.000 0.266 132 T C 2.047 176.763 174.700 0.027 0.000 1.037 132 T CA 1.808 63.924 62.100 0.026 0.000 1.146 132 T CB -0.365 68.523 68.868 0.032 0.000 0.865 132 T HN 0.565 nan 8.240 nan 0.000 0.435 133 T N -1.042 113.532 114.554 0.034 0.000 3.086 133 T HA 0.103 4.483 4.350 0.049 0.000 0.250 133 T C 0.416 175.128 174.700 0.020 0.000 1.074 133 T CA -0.132 61.986 62.100 0.030 0.000 0.988 133 T CB -0.063 68.830 68.868 0.041 0.000 0.988 133 T HN 0.161 nan 8.240 nan 0.000 0.530 134 Q N 1.130 120.938 119.800 0.014 0.000 2.453 134 Q HA -0.115 4.254 4.340 0.049 0.000 0.330 134 Q C -0.870 175.125 176.000 -0.008 0.000 1.417 134 Q CA 0.896 56.706 55.803 0.011 0.000 0.902 134 Q CB -2.496 26.262 28.738 0.033 0.000 1.154 134 Q HN 0.676 nan 8.270 nan 0.000 0.395 135 T N -0.291 114.228 114.554 -0.057 0.000 2.881 135 T HA 0.752 5.132 4.350 0.049 0.000 0.290 135 T C -0.531 174.017 174.700 -0.252 0.000 1.000 135 T CA -0.004 61.985 62.100 -0.184 0.000 0.978 135 T CB 1.922 70.623 68.868 -0.279 0.000 0.997 135 T HN 0.382 nan 8.240 nan 0.000 0.443 136 A N 2.623 125.262 122.820 -0.302 0.000 2.342 136 A HA 0.787 5.136 4.320 0.049 0.000 0.323 136 A C -1.529 175.837 177.584 -0.362 0.000 1.125 136 A CA -0.692 51.205 52.037 -0.232 0.000 0.785 136 A CB 0.687 19.599 19.000 -0.147 0.000 1.221 136 A HN 0.825 nan 8.150 nan 0.000 0.463 137 Y N 1.145 121.437 120.300 -0.013 0.000 2.335 137 Y HA 0.537 5.117 4.550 0.050 0.000 0.339 137 Y C 0.689 176.588 175.900 -0.003 0.000 0.987 137 Y CA -0.076 58.019 58.100 -0.009 0.000 1.140 137 Y CB 1.708 40.167 38.460 -0.001 0.000 1.173 137 Y HN 0.807 nan 8.280 nan 0.000 0.486 138 A N 4.055 126.939 122.820 0.106 0.000 2.317 138 A HA 0.579 4.928 4.320 0.049 0.000 0.327 138 A C -0.665 176.978 177.584 0.100 0.000 1.178 138 A CA -1.037 51.040 52.037 0.066 0.000 0.817 138 A CB 0.860 19.863 19.000 0.005 0.000 1.189 138 A HN 0.726 nan 8.150 nan 0.000 0.489 139 K N 1.992 122.432 120.400 0.066 0.000 2.264 139 K HA 0.393 4.743 4.320 0.049 0.000 0.277 139 K C -0.424 176.180 176.600 0.007 0.000 1.067 139 K CA -0.043 56.278 56.287 0.057 0.000 0.900 139 K CB 0.713 33.243 32.500 0.051 0.000 1.124 139 K HN 0.576 nan 8.250 nan 0.000 0.469 140 S N 3.831 119.553 115.700 0.037 0.000 2.499 140 S HA 0.402 4.901 4.470 0.049 0.000 0.279 140 S C -0.745 173.875 174.600 0.034 0.000 1.219 140 S CA -0.755 57.409 58.200 -0.060 0.000 1.062 140 S CB 0.446 63.510 63.200 -0.226 0.000 0.978 140 S HN 0.602 nan 8.310 nan 0.000 0.489 141 R N 2.654 123.085 120.500 -0.115 0.000 2.494 141 R HA 0.537 4.906 4.340 0.049 0.000 0.305 141 R C 0.896 177.110 176.300 -0.143 0.000 0.959 141 R CA -0.436 55.465 56.100 -0.332 0.000 0.864 141 R CB 1.233 30.763 30.300 -1.283 0.000 1.159 141 R HN 0.659 nan 8.270 nan 0.000 0.446 142 A N 3.715 126.522 122.820 -0.021 0.000 2.067 142 A HA -0.104 4.246 4.320 0.049 0.000 0.219 142 A C 1.023 178.599 177.584 -0.014 0.000 1.158 142 A CA 0.755 52.779 52.037 -0.021 0.000 0.661 142 A CB -0.414 18.438 19.000 -0.247 0.000 0.801 142 A HN 0.945 nan 8.150 nan 0.000 0.452 143 W N -0.603 120.682 121.300 -0.025 0.000 3.256 143 W HA 0.223 4.913 4.660 0.049 0.000 0.269 143 W C -0.618 175.895 176.519 -0.009 0.000 1.310 143 W CA -0.357 56.953 57.345 -0.058 0.000 1.673 143 W CB -0.734 28.669 29.460 -0.095 0.000 1.115 143 W HN 0.158 nan 8.180 nan 0.000 0.686 144 D N 1.786 122.105 120.400 -0.135 0.000 2.472 144 D HA 0.194 4.864 4.640 0.049 0.000 0.248 144 D C 1.518 177.834 176.300 0.027 0.000 1.174 144 D CA 2.333 56.272 54.000 -0.101 0.000 0.883 144 D CB 0.653 41.349 40.800 -0.173 0.000 1.149 144 D HN 0.373 nan 8.370 nan 0.000 0.488 145 G N 3.958 112.799 108.800 0.068 0.000 2.213 145 G HA2 -0.281 3.708 3.960 0.049 0.000 0.236 145 G HA3 -0.281 3.708 3.960 0.049 0.000 0.236 145 G C 0.932 175.872 174.900 0.066 0.000 0.991 145 G CA 0.343 45.474 45.100 0.051 0.000 0.629 145 G HN 0.558 nan 8.290 nan 0.000 0.517 146 K N -0.001 120.467 120.400 0.114 0.000 2.438 146 K HA 0.318 4.668 4.320 0.049 0.000 0.205 146 K C 1.488 178.135 176.600 0.079 0.000 1.033 146 K CA 0.208 56.541 56.287 0.077 0.000 1.089 146 K CB 0.502 33.036 32.500 0.057 0.000 0.857 146 K HN 0.295 nan 8.250 nan 0.000 0.522 147 E N 0.746 121.022 120.200 0.126 0.000 2.058 147 E HA -0.171 4.209 4.350 0.049 0.000 0.194 147 E C 1.754 178.353 176.600 -0.001 0.000 0.997 147 E CA 1.357 57.794 56.400 0.062 0.000 0.801 147 E CB -0.109 29.653 29.700 0.104 0.000 0.746 147 E HN -0.019 nan 8.360 nan 0.000 0.450 148 V N 0.815 120.734 119.914 0.008 0.000 2.453 148 V HA -0.195 3.955 4.120 0.049 0.000 0.247 148 V C 2.179 178.267 176.094 -0.010 0.000 1.048 148 V CA 1.563 63.857 62.300 -0.009 0.000 1.049 148 V CB -0.771 31.050 31.823 -0.003 0.000 0.672 148 V HN 0.348 nan 8.190 nan 0.000 0.457 149 A N -0.191 122.624 122.820 -0.008 0.000 1.940 149 A HA -0.209 4.140 4.320 0.049 0.000 0.219 149 A C 2.481 180.046 177.584 -0.032 0.000 1.176 149 A CA 2.301 54.327 52.037 -0.019 0.000 0.631 149 A CB -0.611 18.368 19.000 -0.036 0.000 0.814 149 A HN 0.511 nan 8.150 nan 0.000 0.446 150 S N -0.606 115.070 115.700 -0.040 0.000 2.383 150 S HA -0.074 4.425 4.470 0.049 0.000 0.227 150 S C 1.869 176.522 174.600 0.090 0.000 1.026 150 S CA 1.118 59.294 58.200 -0.040 0.000 0.981 150 S CB -0.434 62.721 63.200 -0.074 0.000 0.818 150 S HN 0.579 nan 8.310 nan 0.000 0.472 151 L N 1.331 122.581 121.223 0.044 0.000 2.046 151 L HA -0.090 4.279 4.340 0.049 0.000 0.208 151 L C 1.962 178.861 176.870 0.049 0.000 1.077 151 L CA 1.414 56.273 54.840 0.032 0.000 0.747 151 L CB -0.254 41.761 42.059 -0.072 0.000 0.896 151 L HN 0.292 nan 8.230 nan 0.000 0.432 152 L N -0.324 120.901 121.223 0.004 0.000 2.093 152 L HA -0.142 4.227 4.340 0.049 0.000 0.208 152 L C 2.870 179.737 176.870 -0.004 0.000 1.085 152 L CA 0.961 55.769 54.840 -0.053 0.000 0.755 152 L CB -0.831 41.228 42.059 0.000 0.000 0.904 152 L HN 0.340 nan 8.230 nan 0.000 0.435 153 A N -0.550 122.304 122.820 0.056 0.000 1.908 153 A HA -0.260 4.089 4.320 0.049 0.000 0.218 153 A C 2.111 179.790 177.584 0.158 0.000 1.181 153 A CA 1.412 53.480 52.037 0.053 0.000 0.627 153 A CB -0.930 18.004 19.000 -0.111 0.000 0.818 153 A HN 0.583 nan 8.150 nan 0.000 0.445 154 W N 0.973 122.318 121.300 0.075 0.000 2.465 154 W HA -0.062 4.627 4.660 0.049 0.000 0.268 154 W C 1.912 178.345 176.519 -0.143 0.000 1.242 154 W CA 1.791 59.152 57.345 0.027 0.000 1.248 154 W CB -0.692 28.792 29.460 0.040 0.000 1.118 154 W HN 0.419 nan 8.180 nan 0.000 0.587 155 T N -1.855 112.749 114.554 0.083 0.000 2.866 155 T HA -0.107 4.272 4.350 0.049 0.000 0.250 155 T C 1.292 176.009 174.700 0.029 0.000 1.033 155 T CA 1.386 63.465 62.100 -0.035 0.000 1.145 155 T CB -0.517 68.246 68.868 -0.174 0.000 0.866 155 T HN 0.168 nan 8.240 nan 0.000 0.434 156 H N 1.773 120.903 119.070 0.100 0.000 2.421 156 H HA -0.079 4.507 4.556 0.050 0.000 0.298 156 H C 2.516 177.827 175.328 -0.029 0.000 1.087 156 H CA 1.292 57.369 56.048 0.049 0.000 1.330 156 H CB -0.081 29.681 29.762 0.001 0.000 1.388 156 H HN 0.459 nan 8.280 nan 0.000 0.526 157 Q N 0.669 120.475 119.800 0.011 0.000 2.291 157 Q HA -0.147 4.222 4.340 0.049 0.000 0.206 157 Q C 1.714 177.581 176.000 -0.221 0.000 0.976 157 Q CA 1.569 57.307 55.803 -0.107 0.000 0.875 157 Q CB -0.373 28.180 28.738 -0.308 0.000 0.927 157 Q HN 0.493 nan 8.270 nan 0.000 0.450 158 M N 0.079 119.485 119.600 -0.324 0.000 2.460 158 M HA -0.038 4.472 4.480 0.049 0.000 0.263 158 M C 1.218 177.531 176.300 0.022 0.000 1.071 158 M CA 1.304 56.351 55.300 -0.422 0.000 1.096 158 M CB -0.006 32.555 32.600 -0.065 0.000 1.408 158 M HN 0.189 nan 8.290 nan 0.000 0.463 159 K N 0.249 120.664 120.400 0.025 0.000 2.374 159 K HA 0.272 4.621 4.320 0.049 0.000 0.196 159 K C 0.486 177.137 176.600 0.086 0.000 1.023 159 K CA -0.284 56.010 56.287 0.010 0.000 1.103 159 K CB 0.334 32.743 32.500 -0.153 0.000 0.848 159 K HN 0.170 nan 8.250 nan 0.000 0.528 160 A N 1.754 124.666 122.820 0.153 0.000 2.462 160 A HA 0.044 4.393 4.320 0.049 0.000 0.243 160 A C 0.447 178.186 177.584 0.259 0.000 1.076 160 A CA 0.310 52.482 52.037 0.225 0.000 0.773 160 A CB 0.294 19.521 19.000 0.379 0.000 1.010 160 A HN 0.192 nan 8.150 nan 0.000 0.493 161 K N 0.537 121.071 120.400 0.224 0.000 2.402 161 K HA 0.102 4.451 4.320 0.049 0.000 0.204 161 K C -0.502 176.247 176.600 0.248 0.000 1.056 161 K CA 0.286 56.699 56.287 0.211 0.000 1.069 161 K CB 0.195 32.783 32.500 0.147 0.000 0.888 161 K HN 0.934 nan 8.250 nan 0.000 0.546 162 N N -2.434 116.461 118.700 0.326 0.000 3.116 162 N HA -0.024 4.745 4.740 0.049 0.000 0.244 162 N C -0.096 175.645 175.510 0.385 0.000 1.485 162 N CA -0.989 52.286 53.050 0.374 0.000 0.884 162 N CB -0.183 38.443 38.487 0.231 0.000 1.415 162 N HN -0.042 nan 8.380 nan 0.000 0.524 163 W N 0.229 121.488 121.300 -0.067 0.000 2.358 163 W HA -0.181 4.508 4.660 0.048 0.000 0.303 163 W C 0.568 177.033 176.519 -0.090 0.000 1.208 163 W CA 1.875 58.980 57.345 -0.400 0.000 1.274 163 W CB 0.038 29.046 29.460 -0.753 0.000 1.138 163 W HN 0.533 nan 8.180 nan 0.000 0.515 164 Q N 0.788 120.575 119.800 -0.021 0.000 2.050 164 Q HA -0.190 4.180 4.340 0.049 0.000 0.202 164 Q C 1.971 177.916 176.000 -0.091 0.000 0.980 164 Q CA 2.050 57.783 55.803 -0.117 0.000 0.840 164 Q CB -0.989 27.738 28.738 -0.018 0.000 0.898 164 Q HN 0.519 nan 8.270 nan 0.000 0.424 165 E N -0.701 119.511 120.200 0.020 0.000 2.077 165 E HA -0.202 4.178 4.350 0.049 0.000 0.193 165 E C 1.736 178.372 176.600 0.059 0.000 0.989 165 E CA 0.968 57.390 56.400 0.036 0.000 0.800 165 E CB -0.280 29.477 29.700 0.094 0.000 0.746 165 E HN 0.382 nan 8.360 nan 0.000 0.452 166 W N 1.719 122.982 121.300 -0.062 0.000 2.379 166 W HA -0.178 4.511 4.660 0.047 0.000 0.307 166 W C 2.588 179.005 176.519 -0.170 0.000 1.200 166 W CA 2.496 59.829 57.345 -0.021 0.000 1.297 166 W CB -0.385 29.187 29.460 0.186 0.000 1.140 166 W HN 0.042 nan 8.180 nan 0.000 0.507 167 T N -1.505 112.870 114.554 -0.297 0.000 2.915 167 T HA -0.225 4.154 4.350 0.049 0.000 0.269 167 T C 1.632 175.994 174.700 -0.564 0.000 1.071 167 T CA 1.486 63.250 62.100 -0.559 0.000 1.132 167 T CB -0.582 67.886 68.868 -0.666 0.000 0.878 167 T HN 0.330 nan 8.240 nan 0.000 0.479 168 Q N 0.418 119.977 119.800 -0.402 0.000 2.096 168 Q HA -0.150 4.219 4.340 0.049 0.000 0.204 168 Q C 2.616 178.356 176.000 -0.435 0.000 0.982 168 Q CA 1.485 57.056 55.803 -0.387 0.000 0.850 168 Q CB -0.168 28.429 28.738 -0.235 0.000 0.901 168 Q HN 0.587 nan 8.270 nan 0.000 0.422 169 Q N -0.487 119.090 119.800 -0.372 0.000 2.187 169 Q HA 0.016 4.385 4.340 0.049 0.000 0.199 169 Q C 2.017 177.684 176.000 -0.555 0.000 0.957 169 Q CA 1.036 56.635 55.803 -0.340 0.000 0.857 169 Q CB -0.265 28.370 28.738 -0.171 0.000 0.929 169 Q HN 0.333 nan 8.270 nan 0.000 0.453 170 A N 1.436 123.806 122.820 -0.749 0.000 1.940 170 A HA -0.119 4.230 4.320 0.049 0.000 0.219 170 A C 2.264 179.255 177.584 -0.988 0.000 1.176 170 A CA 1.872 53.239 52.037 -1.118 0.000 0.631 170 A CB -0.621 17.812 19.000 -0.944 0.000 0.814 170 A HN 0.344 nan 8.150 nan 0.000 0.446 171 A N -0.717 121.423 122.820 -1.134 0.000 2.172 171 A HA -0.064 4.286 4.320 0.049 0.000 0.216 171 A C 1.901 179.080 177.584 -0.675 0.000 1.154 171 A CA 1.524 52.799 52.037 -1.270 0.000 0.701 171 A CB -0.303 17.732 19.000 -1.609 0.000 0.789 171 A HN 0.582 nan 8.150 nan 0.000 0.465 172 K N -0.775 119.289 120.400 -0.560 0.000 2.367 172 K HA 0.080 4.429 4.320 0.049 0.000 0.194 172 K C 0.622 176.993 176.600 -0.381 0.000 1.027 172 K CA -0.100 55.960 56.287 -0.379 0.000 1.075 172 K CB 0.325 32.660 32.500 -0.275 0.000 0.845 172 K HN 0.265 nan 8.250 nan 0.000 0.529 173 Q N 0.950 120.405 119.800 -0.575 0.000 2.337 173 Q HA 0.208 4.578 4.340 0.049 0.000 0.255 173 Q C 0.069 175.763 176.000 -0.511 0.000 0.997 173 Q CA -0.043 55.383 55.803 -0.629 0.000 0.925 173 Q CB 1.497 29.521 28.738 -1.189 0.000 1.212 173 Q HN 0.230 nan 8.270 nan 0.000 0.436 174 A N 5.410 128.028 122.820 -0.337 0.000 2.195 174 A HA 0.199 4.549 4.320 0.049 0.000 0.210 174 A C 0.745 178.162 177.584 -0.278 0.000 1.165 174 A CA 0.012 51.902 52.037 -0.245 0.000 0.806 174 A CB 0.266 19.220 19.000 -0.078 0.000 0.847 174 A HN 0.663 nan 8.150 nan 0.000 0.482 175 L N -0.593 120.402 121.223 -0.380 0.000 2.466 175 L HA 0.214 4.583 4.340 0.049 0.000 0.257 175 L C 0.886 177.557 176.870 -0.332 0.000 1.189 175 L CA -0.310 54.260 54.840 -0.450 0.000 0.813 175 L CB 0.659 42.467 42.059 -0.420 0.000 1.118 175 L HN 0.068 nan 8.230 nan 0.000 0.471 176 T N 3.647 118.067 114.554 -0.224 0.000 2.987 176 T HA 0.400 4.779 4.350 0.049 0.000 0.288 176 T C -0.401 174.235 174.700 -0.105 0.000 0.981 176 T CA -0.356 61.675 62.100 -0.116 0.000 1.031 176 T CB -0.827 68.109 68.868 0.114 0.000 0.976 176 T HN 0.206 nan 8.240 nan 0.000 0.612 177 I N 4.566 125.025 120.570 -0.184 0.000 2.534 177 I HA 0.359 4.558 4.170 0.049 0.000 0.288 177 I C -0.238 175.889 176.117 0.018 0.000 1.077 177 I CA -1.115 60.194 61.300 0.015 0.000 1.051 177 I CB 1.985 40.031 38.000 0.076 0.000 1.234 177 I HN 0.465 nan 8.210 nan 0.000 0.425 178 N N 4.903 123.778 118.700 0.292 0.000 2.470 178 N HA 0.165 4.935 4.740 0.049 0.000 0.268 178 N C -0.982 174.761 175.510 0.388 0.000 1.136 178 N CA 0.001 53.245 53.050 0.323 0.000 0.961 178 N CB 1.114 39.961 38.487 0.600 0.000 1.067 178 N HN 0.372 nan 8.380 nan 0.000 0.468 179 W N 2.345 123.585 121.300 -0.099 0.000 2.627 179 W HA 0.416 5.105 4.660 0.047 0.000 0.339 179 W C -0.521 176.105 176.519 0.177 0.000 1.058 179 W CA -0.554 56.878 57.345 0.145 0.000 1.223 179 W CB 0.418 29.924 29.460 0.076 0.000 1.389 179 W HN 0.345 nan 8.180 nan 0.000 0.541 180 Y N 1.769 122.631 120.300 0.937 0.000 2.512 180 Y HA 0.445 5.025 4.550 0.049 0.000 0.348 180 Y C -0.923 175.220 175.900 0.405 0.000 0.990 180 Y CA -1.580 56.936 58.100 0.693 0.000 1.033 180 Y CB 1.892 40.637 38.460 0.476 0.000 1.259 180 Y HN 0.313 nan 8.280 nan 0.000 0.461 181 Y N 1.293 121.689 120.300 0.159 0.000 2.477 181 Y HA 0.884 5.464 4.550 0.049 0.000 0.347 181 Y C -1.301 174.613 175.900 0.024 0.000 0.981 181 Y CA -1.097 56.861 58.100 -0.236 0.000 1.033 181 Y CB 1.633 39.748 38.460 -0.575 0.000 1.245 181 Y HN 0.814 nan 8.280 nan 0.000 0.455 182 A N 3.987 126.528 122.820 -0.464 0.000 2.587 182 A HA 0.734 5.084 4.320 0.049 0.000 0.293 182 A C -1.877 175.206 177.584 -0.836 0.000 1.087 182 A CA -0.321 51.527 52.037 -0.316 0.000 0.692 182 A CB 1.620 20.654 19.000 0.057 0.000 1.291 182 A HN 0.827 nan 8.150 nan 0.000 0.407 183 D N -0.988 118.912 120.400 -0.834 0.000 2.626 183 D HA 0.326 4.996 4.640 0.049 0.000 0.278 183 D C 0.385 175.896 176.300 -1.315 0.000 1.211 183 D CA -0.039 53.203 54.000 -1.262 0.000 0.903 183 D CB 1.007 41.498 40.800 -0.514 0.000 1.408 183 D HN 0.715 nan 8.370 nan 0.000 0.454 184 V N 0.559 119.832 119.914 -1.067 0.000 2.688 184 V HA -0.167 3.983 4.120 0.049 0.000 0.256 184 V C 0.782 176.787 176.094 -0.149 0.000 1.084 184 V CA 1.822 63.901 62.300 -0.368 0.000 1.103 184 V CB -0.819 30.965 31.823 -0.064 0.000 0.688 184 V HN 0.500 nan 8.190 nan 0.000 0.480 185 N N 0.321 118.935 118.700 -0.143 0.000 2.398 185 N HA 0.143 4.913 4.740 0.049 0.000 0.188 185 N C 1.398 176.878 175.510 -0.050 0.000 1.122 185 N CA 0.998 54.018 53.050 -0.051 0.000 0.866 185 N CB 0.593 39.072 38.487 -0.013 0.000 0.970 185 N HN 0.663 nan 8.380 nan 0.000 0.462 186 G N 0.459 109.207 108.800 -0.088 0.000 2.157 186 G HA2 -0.267 3.723 3.960 0.049 0.000 0.239 186 G HA3 -0.267 3.723 3.960 0.049 0.000 0.239 186 G C -0.239 174.613 174.900 -0.080 0.000 0.982 186 G CA -0.299 44.769 45.100 -0.053 0.000 0.650 186 G HN 0.412 nan 8.290 nan 0.000 0.527 187 N N 0.387 119.034 118.700 -0.090 0.000 2.508 187 N HA 0.599 5.369 4.740 0.049 0.000 0.264 187 N C 0.369 175.850 175.510 -0.049 0.000 1.216 187 N CA 0.539 53.498 53.050 -0.151 0.000 0.943 187 N CB 0.998 39.453 38.487 -0.054 0.000 1.113 187 N HN 0.724 nan 8.380 nan 0.000 0.447 188 I N -2.944 117.531 120.570 -0.158 0.000 2.865 188 I HA 0.924 5.123 4.170 0.049 0.000 0.302 188 I C -0.171 175.934 176.117 -0.020 0.000 1.140 188 I CA -0.911 60.416 61.300 0.045 0.000 1.021 188 I CB 2.347 40.380 38.000 0.056 0.000 1.233 188 I HN 0.530 nan 8.210 nan 0.000 0.427 189 G N 2.474 111.435 108.800 0.269 0.000 2.660 189 G HA2 0.594 4.583 3.960 0.049 0.000 0.290 189 G HA3 0.594 4.583 3.960 0.049 0.000 0.290 189 G C -2.618 172.679 174.900 0.663 0.000 1.432 189 G CA -0.609 44.647 45.100 0.260 0.000 0.807 189 G HN 0.854 nan 8.290 nan 0.000 0.485 190 Y N 0.038 120.678 120.300 0.566 0.000 2.441 190 Y HA 0.651 5.230 4.550 0.049 0.000 0.334 190 Y C -1.550 174.622 175.900 0.453 0.000 1.061 190 Y CA -1.142 57.216 58.100 0.430 0.000 1.032 190 Y CB 2.049 40.663 38.460 0.256 0.000 1.266 190 Y HN 0.562 nan 8.280 nan 0.000 0.441 191 V N 5.520 125.327 119.914 -0.177 0.000 2.577 191 V HA 0.212 4.362 4.120 0.049 0.000 0.303 191 V C -0.937 174.760 176.094 -0.663 0.000 1.042 191 V CA -0.892 61.166 62.300 -0.403 0.000 0.872 191 V CB 1.463 33.212 31.823 -0.123 0.000 0.998 191 V HN 0.840 nan 8.190 nan 0.000 0.423 192 H N 3.567 122.148 119.070 -0.814 0.000 3.118 192 H HA 0.387 4.972 4.556 0.048 0.000 0.266 192 H C 0.736 175.908 175.328 -0.260 0.000 1.465 192 H CA 0.155 55.942 56.048 -0.436 0.000 1.460 192 H CB 0.197 29.708 29.762 -0.419 0.000 1.661 192 H HN 0.866 nan 8.280 nan 0.000 0.516 193 T N 1.632 115.926 114.554 -0.434 0.000 2.813 193 T HA 0.596 4.976 4.350 0.049 0.000 0.297 193 T C 0.651 175.163 174.700 -0.313 0.000 1.036 193 T CA 0.085 61.920 62.100 -0.442 0.000 1.044 193 T CB 1.260 69.593 68.868 -0.892 0.000 0.993 193 T HN 0.942 nan 8.240 nan 0.000 0.535 194 G N -0.418 108.230 108.800 -0.254 0.000 2.340 194 G HA2 0.512 4.502 3.960 0.049 0.000 0.527 194 G HA3 0.512 4.502 3.960 0.049 0.000 0.527 194 G C -0.735 173.912 174.900 -0.422 0.000 1.381 194 G CA -0.501 44.372 45.100 -0.378 0.000 1.001 194 G HN 1.303 nan 8.290 nan 0.000 0.626 195 A N -0.032 122.476 122.820 -0.521 0.000 2.328 195 A HA 0.827 5.176 4.320 0.049 0.000 0.284 195 A C -0.964 176.146 177.584 -0.790 0.000 1.160 195 A CA -0.186 51.603 52.037 -0.414 0.000 0.818 195 A CB 0.359 19.245 19.000 -0.190 0.000 1.087 195 A HN 1.188 nan 8.150 nan 0.000 0.504 196 Y N 2.497 122.755 120.300 -0.070 0.000 2.425 196 Y HA 0.493 5.072 4.550 0.048 0.000 0.344 196 Y C -2.220 173.509 175.900 -0.284 0.000 0.969 196 Y CA -2.518 55.502 58.100 -0.132 0.000 1.052 196 Y CB 2.134 40.579 38.460 -0.025 0.000 1.215 196 Y HN 0.513 nan 8.280 nan 0.000 0.451 197 P HA 0.034 nan 4.420 nan 0.000 0.278 197 P C -0.720 176.341 177.300 -0.397 0.000 1.238 197 P CA -0.198 62.447 63.100 -0.758 0.000 0.794 197 P CB 1.309 31.812 31.700 -1.995 0.000 0.955 198 D N 2.799 123.062 120.400 -0.229 0.000 2.411 198 D HA 0.131 4.800 4.640 0.049 0.000 0.225 198 D C -0.070 176.231 176.300 0.000 0.000 1.156 198 D CA -0.281 53.676 54.000 -0.072 0.000 0.874 198 D CB 0.090 40.886 40.800 -0.005 0.000 1.034 198 D HN 0.158 nan 8.370 nan 0.000 0.502 199 R N 2.468 122.966 120.500 -0.003 0.000 2.500 199 R HA 0.245 4.614 4.340 0.049 0.000 0.275 199 R C 0.618 177.060 176.300 0.237 0.000 1.051 199 R CA -0.815 55.385 56.100 0.168 0.000 1.088 199 R CB 0.818 31.089 30.300 -0.048 0.000 1.063 199 R HN 0.415 nan 8.270 nan 0.000 0.511 200 Q N 0.727 120.757 119.800 0.384 0.000 2.432 200 Q HA -0.005 4.364 4.340 0.049 0.000 0.264 200 Q C 0.069 176.239 176.000 0.284 0.000 1.035 200 Q CA 0.269 56.219 55.803 0.245 0.000 0.908 200 Q CB 0.939 29.750 28.738 0.120 0.000 1.280 200 Q HN 0.512 nan 8.270 nan 0.000 0.455 201 S N -0.123 115.673 115.700 0.159 0.000 2.537 201 S HA 0.320 4.820 4.470 0.049 0.000 0.286 201 S C 1.006 175.796 174.600 0.318 0.000 1.299 201 S CA 0.899 59.206 58.200 0.179 0.000 1.067 201 S CB -0.186 63.070 63.200 0.094 0.000 0.864 201 S HN 0.800 nan 8.310 nan 0.000 0.494 202 G N 3.280 112.274 108.800 0.325 0.000 2.194 202 G HA2 -0.228 3.762 3.960 0.049 0.000 0.236 202 G HA3 -0.228 3.762 3.960 0.049 0.000 0.236 202 G C 0.077 175.167 174.900 0.316 0.000 0.987 202 G CA 0.318 45.625 45.100 0.346 0.000 0.635 202 G HN 1.001 nan 8.290 nan 0.000 0.520 203 H N 1.366 120.618 119.070 0.303 0.000 3.015 203 H HA 0.417 5.003 4.556 0.049 0.000 0.268 203 H C -0.553 174.795 175.328 0.033 0.000 1.113 203 H CA -0.369 55.763 56.048 0.140 0.000 1.479 203 H CB 0.432 30.380 29.762 0.311 0.000 1.493 203 H HN 0.126 nan 8.280 nan 0.000 0.486 204 D N 7.607 128.132 120.400 0.209 0.000 2.336 204 D HA 0.018 4.688 4.640 0.049 0.000 0.249 204 D C -1.562 174.838 176.300 0.166 0.000 1.213 204 D CA -2.254 51.810 54.000 0.107 0.000 0.870 204 D CB 1.523 42.332 40.800 0.015 0.000 1.076 204 D HN 0.465 nan 8.370 nan 0.000 0.483 205 P HA -0.016 nan 4.420 nan 0.000 0.242 205 P C 0.690 178.008 177.300 0.030 0.000 1.197 205 P CA 0.327 63.428 63.100 0.001 0.000 0.765 205 P CB 0.328 31.960 31.700 -0.114 0.000 0.936 206 R N -0.903 119.605 120.500 0.014 0.000 2.297 206 R HA 0.271 4.640 4.340 0.049 0.000 0.197 206 R C 0.764 177.058 176.300 -0.010 0.000 0.943 206 R CA 0.303 56.401 56.100 -0.002 0.000 1.038 206 R CB -0.035 30.258 30.300 -0.012 0.000 0.957 206 R HN 0.244 nan 8.270 nan 0.000 0.484 207 L N 0.194 121.409 121.223 -0.013 0.000 2.393 207 L HA 0.478 4.848 4.340 0.049 0.000 0.260 207 L C -2.480 174.332 176.870 -0.096 0.000 1.002 207 L CA -2.733 52.073 54.840 -0.057 0.000 0.818 207 L CB 2.172 44.183 42.059 -0.079 0.000 1.369 207 L HN -0.259 nan 8.230 nan 0.000 0.412 208 P HA 0.147 nan 4.420 nan 0.000 0.270 208 P C -1.218 175.885 177.300 -0.328 0.000 1.223 208 P CA -0.300 62.698 63.100 -0.169 0.000 0.785 208 P CB 0.593 32.274 31.700 -0.032 0.000 0.923 209 V N -1.115 118.491 119.914 -0.513 0.000 2.715 209 V HA 0.573 4.723 4.120 0.049 0.000 0.310 209 V C -2.612 173.244 176.094 -0.397 0.000 1.054 209 V CA -3.200 58.711 62.300 -0.648 0.000 0.928 209 V CB 1.393 32.640 31.823 -0.960 0.000 1.007 209 V HN 0.335 nan 8.190 nan 0.000 0.437 210 P HA 0.238 nan 4.420 nan 0.000 0.269 210 P C 0.773 178.162 177.300 0.149 0.000 1.209 210 P CA 0.322 63.403 63.100 -0.031 0.000 0.776 210 P CB 0.732 32.468 31.700 0.061 0.000 0.876 211 G N 0.562 109.442 108.800 0.133 0.000 3.284 211 G HA2 -0.020 3.970 3.960 0.049 0.000 0.236 211 G HA3 -0.020 3.970 3.960 0.049 0.000 0.236 211 G C 0.879 176.002 174.900 0.373 0.000 1.158 211 G CA 0.070 45.284 45.100 0.190 0.000 0.774 211 G HN 0.533 nan 8.290 nan 0.000 0.545 212 T N -3.409 111.298 114.554 0.255 0.000 3.148 212 T HA 0.386 4.766 4.350 0.049 0.000 0.253 212 T C 1.782 176.544 174.700 0.104 0.000 1.134 212 T CA 1.158 63.358 62.100 0.165 0.000 1.051 212 T CB 0.308 69.207 68.868 0.053 0.000 0.959 212 T HN 0.915 nan 8.240 nan 0.000 0.525 213 G N 1.560 110.466 108.800 0.176 0.000 2.905 213 G HA2 -0.219 3.771 3.960 0.049 0.000 0.196 213 G HA3 -0.219 3.771 3.960 0.049 0.000 0.196 213 G C 0.814 175.727 174.900 0.022 0.000 1.044 213 G CA 0.277 45.388 45.100 0.018 0.000 0.778 213 G HN 0.494 nan 8.290 nan 0.000 0.474 214 K N -0.225 120.157 120.400 -0.031 0.000 2.211 214 K HA -0.005 4.345 4.320 0.049 0.000 0.203 214 K C 1.455 177.792 176.600 -0.439 0.000 1.050 214 K CA 1.351 57.486 56.287 -0.253 0.000 0.945 214 K CB -0.201 32.099 32.500 -0.333 0.000 0.732 214 K HN 0.536 nan 8.250 nan 0.000 0.451 215 W N 1.866 123.236 121.300 0.117 0.000 3.239 215 W HA 0.182 4.872 4.660 0.050 0.000 0.368 215 W C -0.469 176.242 176.519 0.321 0.000 1.154 215 W CA -0.974 56.455 57.345 0.139 0.000 1.860 215 W CB 0.406 29.853 29.460 -0.022 0.000 1.094 215 W HN -0.087 nan 8.180 nan 0.000 0.643 216 D N 0.041 120.694 120.400 0.422 0.000 2.423 216 D HA -0.065 4.604 4.640 0.049 0.000 0.238 216 D C 0.444 177.025 176.300 0.469 0.000 1.142 216 D CA 0.222 54.457 54.000 0.391 0.000 0.884 216 D CB 0.527 41.472 40.800 0.241 0.000 1.199 216 D HN -0.206 nan 8.370 nan 0.000 0.438 217 W N 1.663 123.195 121.300 0.386 0.000 2.209 217 W HA 0.007 4.696 4.660 0.048 0.000 0.344 217 W C 1.559 178.173 176.519 0.159 0.000 1.285 217 W CA -0.401 57.113 57.345 0.282 0.000 1.267 217 W CB -0.114 29.495 29.460 0.249 0.000 1.167 217 W HN 0.458 nan 8.180 nan 0.000 0.574 218 K N 1.366 121.969 120.400 0.339 0.000 2.217 218 K HA 0.160 4.510 4.320 0.049 0.000 0.202 218 K C 1.191 177.888 176.600 0.161 0.000 1.051 218 K CA 1.117 57.516 56.287 0.187 0.000 0.952 218 K CB 0.130 32.703 32.500 0.121 0.000 0.736 218 K HN 0.637 nan 8.250 nan 0.000 0.453 219 G N -0.040 108.868 108.800 0.179 0.000 2.398 219 G HA2 0.123 4.113 3.960 0.049 0.000 0.251 219 G HA3 0.123 4.113 3.960 0.049 0.000 0.251 219 G C -1.858 173.071 174.900 0.048 0.000 1.277 219 G CA -1.032 44.139 45.100 0.119 0.000 0.927 219 G HN -0.030 nan 8.290 nan 0.000 0.477 220 L N 0.753 121.983 121.223 0.012 0.000 2.334 220 L HA 0.605 4.975 4.340 0.049 0.000 0.273 220 L C 0.371 177.233 176.870 -0.014 0.000 1.013 220 L CA -0.876 53.940 54.840 -0.040 0.000 0.816 220 L CB 1.713 43.752 42.059 -0.033 0.000 1.278 220 L HN 0.425 nan 8.230 nan 0.000 0.431 221 L N 3.269 124.488 121.223 -0.007 0.000 2.452 221 L HA 0.247 4.616 4.340 0.049 0.000 0.267 221 L C -1.816 175.080 176.870 0.042 0.000 1.188 221 L CA -1.523 53.332 54.840 0.025 0.000 0.821 221 L CB 0.264 42.353 42.059 0.049 0.000 1.102 221 L HN 0.383 nan 8.230 nan 0.000 0.470 222 P HA -0.024 nan 4.420 nan 0.000 0.274 222 P C 0.402 177.752 177.300 0.083 0.000 1.237 222 P CA -0.357 62.776 63.100 0.055 0.000 0.793 222 P CB 0.577 32.299 31.700 0.037 0.000 0.977 223 F N 1.282 121.199 119.950 -0.054 0.000 2.250 223 F HA -0.157 4.399 4.527 0.048 0.000 0.301 223 F C 2.226 177.988 175.800 -0.064 0.000 1.077 223 F CA 1.715 59.667 58.000 -0.079 0.000 1.348 223 F CB -0.386 38.537 39.000 -0.128 0.000 1.040 223 F HN 0.463 nan 8.300 nan 0.000 0.509 224 E N -0.027 120.120 120.200 -0.089 0.000 2.209 224 E HA -0.239 4.140 4.350 0.049 0.000 0.196 224 E C 1.664 178.154 176.600 -0.184 0.000 0.993 224 E CA 1.498 57.808 56.400 -0.150 0.000 0.819 224 E CB -0.202 29.470 29.700 -0.046 0.000 0.745 224 E HN 0.516 nan 8.360 nan 0.000 0.477 225 M N 0.851 120.372 119.600 -0.132 0.000 2.453 225 M HA 0.150 4.659 4.480 0.049 0.000 0.239 225 M C -0.391 175.825 176.300 -0.139 0.000 1.151 225 M CA -0.372 54.866 55.300 -0.103 0.000 0.989 225 M CB 0.267 32.848 32.600 -0.032 0.000 1.548 225 M HN -0.117 nan 8.290 nan 0.000 0.479 226 N N 2.193 120.738 118.700 -0.259 0.000 2.483 226 N HA 0.128 4.898 4.740 0.049 0.000 0.264 226 N C -2.557 172.753 175.510 -0.332 0.000 1.197 226 N CA -0.798 52.079 53.050 -0.288 0.000 0.927 226 N CB 0.162 38.403 38.487 -0.411 0.000 1.065 226 N HN -0.086 nan 8.380 nan 0.000 0.461 227 P HA 0.000 nan 4.420 nan 0.000 0.264 227 P C -0.758 176.365 177.300 -0.295 0.000 1.193 227 P CA 0.409 63.327 63.100 -0.303 0.000 0.763 227 P CB 0.374 31.807 31.700 -0.446 0.000 0.810 228 K N 0.794 121.102 120.400 -0.154 0.000 2.575 228 K HA 0.802 5.152 4.320 0.049 0.000 0.279 228 K C -1.961 174.719 176.600 0.133 0.000 0.969 228 K CA -1.105 55.156 56.287 -0.043 0.000 0.868 228 K CB 1.925 34.423 32.500 -0.005 0.000 1.457 228 K HN 0.185 nan 8.250 nan 0.000 0.426 229 V N 1.649 121.721 119.914 0.264 0.000 3.012 229 V HA 0.547 4.696 4.120 0.049 0.000 0.307 229 V C -2.249 173.931 176.094 0.144 0.000 1.166 229 V CA -0.576 61.840 62.300 0.194 0.000 0.974 229 V CB 2.144 34.062 31.823 0.158 0.000 1.040 229 V HN 0.803 nan 8.190 nan 0.000 0.428 230 Y N 5.078 125.254 120.300 -0.206 0.000 2.338 230 Y HA 0.486 5.065 4.550 0.049 0.000 0.333 230 Y C 0.375 176.097 175.900 -0.297 0.000 0.968 230 Y CA -0.500 57.276 58.100 -0.539 0.000 1.123 230 Y CB 1.410 39.301 38.460 -0.948 0.000 1.165 230 Y HN 0.908 nan 8.280 nan 0.000 0.452 231 N N 5.261 123.606 118.700 -0.591 0.000 2.671 231 N HA -0.166 4.604 4.740 0.049 0.000 0.261 231 N C -2.776 172.609 175.510 -0.208 0.000 1.053 231 N CA 0.002 52.797 53.050 -0.424 0.000 0.732 231 N CB -0.483 37.677 38.487 -0.544 0.000 0.887 231 N HN 0.375 nan 8.380 nan 0.000 0.546 232 P HA -0.100 nan 4.420 nan 0.000 0.267 232 P C 0.273 177.511 177.300 -0.103 0.000 1.200 232 P CA 0.301 63.340 63.100 -0.102 0.000 0.772 232 P CB 0.665 32.301 31.700 -0.108 0.000 0.855 233 Q N 1.272 121.020 119.800 -0.086 0.000 2.181 233 Q HA -0.155 4.215 4.340 0.049 0.000 0.205 233 Q C 2.123 178.079 176.000 -0.075 0.000 0.980 233 Q CA 2.116 57.877 55.803 -0.070 0.000 0.862 233 Q CB -0.485 28.220 28.738 -0.055 0.000 0.905 233 Q HN 0.635 nan 8.270 nan 0.000 0.429 234 S N -0.672 114.953 115.700 -0.126 0.000 2.442 234 S HA -0.031 4.469 4.470 0.049 0.000 0.236 234 S C 1.665 176.239 174.600 -0.044 0.000 1.007 234 S CA 0.717 58.827 58.200 -0.150 0.000 0.965 234 S CB -0.267 62.672 63.200 -0.435 0.000 0.773 234 S HN 0.588 nan 8.310 nan 0.000 0.504 235 G N 0.278 109.051 108.800 -0.045 0.000 2.159 235 G HA2 -0.247 3.743 3.960 0.049 0.000 0.256 235 G HA3 -0.247 3.743 3.960 0.049 0.000 0.256 235 G C -0.078 174.912 174.900 0.150 0.000 0.977 235 G CA 0.579 45.704 45.100 0.042 0.000 0.652 235 G HN 1.324 nan 8.290 nan 0.000 0.531 236 Y N -2.090 118.209 120.300 -0.001 0.000 2.656 236 Y HA 0.777 5.357 4.550 0.049 0.000 0.334 236 Y C -0.899 175.022 175.900 0.035 0.000 1.179 236 Y CA -2.372 55.743 58.100 0.025 0.000 1.050 236 Y CB 1.053 39.527 38.460 0.023 0.000 1.308 236 Y HN 0.164 nan 8.280 nan 0.000 0.456 237 I N 2.506 123.229 120.570 0.256 0.000 2.439 237 I HA 0.765 4.964 4.170 0.049 0.000 0.285 237 I C -0.778 175.498 176.117 0.266 0.000 1.021 237 I CA -0.968 60.431 61.300 0.165 0.000 1.091 237 I CB 1.768 39.896 38.000 0.213 0.000 1.242 237 I HN 0.892 nan 8.210 nan 0.000 0.439 238 A N 6.137 129.099 122.820 0.236 0.000 2.371 238 A HA 0.783 5.133 4.320 0.049 0.000 0.311 238 A C -1.054 176.613 177.584 0.138 0.000 1.068 238 A CA -0.579 51.599 52.037 0.236 0.000 0.744 238 A CB 1.758 20.938 19.000 0.301 0.000 1.239 238 A HN 0.717 nan 8.150 nan 0.000 0.435 239 N N 1.182 119.973 118.700 0.152 0.000 2.367 239 N HA 0.287 5.057 4.740 0.049 0.000 0.278 239 N C -2.029 173.659 175.510 0.296 0.000 1.117 239 N CA -0.199 52.971 53.050 0.199 0.000 0.867 239 N CB 1.865 40.513 38.487 0.269 0.000 1.649 239 N HN 0.697 nan 8.380 nan 0.000 0.479 240 W N 3.580 124.961 121.300 0.134 0.000 1.048 240 W HA 0.316 5.000 4.660 0.040 0.000 0.296 240 W C -0.388 176.239 176.519 0.181 0.000 0.846 240 W CA -0.676 56.755 57.345 0.142 0.000 2.078 240 W CB -1.245 28.272 29.460 0.094 0.000 1.618 240 W HN 0.787 nan 8.180 nan 0.000 0.497 241 N N 1.196 120.210 118.700 0.522 0.000 2.741 241 N HA -0.272 4.498 4.740 0.049 0.000 0.250 241 N C 0.170 176.013 175.510 0.554 0.000 1.115 241 N CA 1.235 54.627 53.050 0.571 0.000 0.724 241 N CB -1.179 37.626 38.487 0.531 0.000 1.090 241 N HN 0.425 nan 8.380 nan 0.000 0.558 242 N N -0.677 118.170 118.700 0.245 0.000 2.405 242 N HA 0.197 4.966 4.740 0.049 0.000 0.269 242 N C -0.059 174.935 175.510 -0.860 0.000 1.249 242 N CA -0.430 52.507 53.050 -0.187 0.000 0.974 242 N CB 0.793 39.212 38.487 -0.112 0.000 1.204 242 N HN 0.063 nan 8.380 nan 0.000 0.565 243 S N -0.362 114.367 115.700 -1.620 0.000 2.549 243 S HA 0.095 4.594 4.470 0.049 0.000 0.286 243 S C -1.464 172.715 174.600 -0.702 0.000 1.314 243 S CA -1.028 56.161 58.200 -1.685 0.000 1.062 243 S CB 0.144 62.864 63.200 -0.799 0.000 0.865 243 S HN 0.417 nan 8.310 nan 0.000 0.498 244 P HA -0.020 nan 4.420 nan 0.000 0.217 244 P C -0.088 177.124 177.300 -0.147 0.000 1.150 244 P CA 0.890 63.847 63.100 -0.237 0.000 0.832 244 P CB 0.154 31.550 31.700 -0.506 0.000 0.787 245 Q N -2.076 117.627 119.800 -0.161 0.000 2.545 245 Q HA 0.190 4.559 4.340 0.049 0.000 0.273 245 Q C -1.214 174.793 176.000 0.010 0.000 0.975 245 Q CA -0.864 54.903 55.803 -0.061 0.000 0.876 245 Q CB 1.224 29.909 28.738 -0.088 0.000 1.472 245 Q HN -0.272 nan 8.270 nan 0.000 0.389 246 K N 1.861 122.269 120.400 0.014 0.000 2.489 246 K HA -0.036 4.314 4.320 0.049 0.000 0.278 246 K C -0.658 175.986 176.600 0.074 0.000 1.000 246 K CA 1.265 57.576 56.287 0.041 0.000 1.012 246 K CB 0.283 32.798 32.500 0.026 0.000 0.903 246 K HN 0.709 nan 8.250 nan 0.000 0.485 247 D N 0.861 121.316 120.400 0.092 0.000 3.006 247 D HA -0.265 4.404 4.640 0.049 0.000 0.205 247 D C -0.722 175.649 176.300 0.118 0.000 1.075 247 D CA 1.014 55.068 54.000 0.091 0.000 1.000 247 D CB -1.532 39.304 40.800 0.060 0.000 1.097 247 D HN 0.536 nan 8.370 nan 0.000 0.426 248 Y N 2.336 122.657 120.300 0.036 0.000 2.316 248 Y HA 0.434 5.012 4.550 0.048 0.000 0.331 248 Y C -2.037 173.973 175.900 0.183 0.000 1.083 248 Y CA -1.517 56.607 58.100 0.041 0.000 1.206 248 Y CB 1.037 39.467 38.460 -0.050 0.000 1.195 248 Y HN -0.182 nan 8.280 nan 0.000 0.497 249 P HA 0.364 nan 4.420 nan 0.000 0.288 249 P C -1.204 176.005 177.300 -0.152 0.000 1.267 249 P CA -0.422 62.562 63.100 -0.194 0.000 0.815 249 P CB 1.553 33.105 31.700 -0.247 0.000 0.989 250 A N 2.449 125.182 122.820 -0.145 0.000 2.296 250 A HA 0.325 4.674 4.320 0.049 0.000 0.264 250 A C 0.761 178.123 177.584 -0.370 0.000 1.097 250 A CA -0.257 51.394 52.037 -0.643 0.000 0.811 250 A CB -0.409 18.079 19.000 -0.854 0.000 1.072 250 A HN 0.608 nan 8.150 nan 0.000 0.495 251 S N -0.684 114.739 115.700 -0.462 0.000 2.558 251 S HA -0.086 4.413 4.470 0.049 0.000 0.297 251 S C 0.826 175.295 174.600 -0.219 0.000 1.283 251 S CA 0.728 58.731 58.200 -0.327 0.000 1.044 251 S CB -0.045 62.794 63.200 -0.602 0.000 0.789 251 S HN 0.793 nan 8.310 nan 0.000 0.500 252 D N 3.181 123.510 120.400 -0.119 0.000 2.349 252 D HA 0.053 4.722 4.640 0.049 0.000 0.224 252 D C 0.432 176.688 176.300 -0.074 0.000 1.029 252 D CA 0.063 54.021 54.000 -0.070 0.000 0.879 252 D CB -0.467 40.315 40.800 -0.030 0.000 0.906 252 D HN 0.478 nan 8.370 nan 0.000 0.528 253 L N 1.303 122.449 121.223 -0.128 0.000 2.540 253 L HA 0.022 4.392 4.340 0.049 0.000 0.276 253 L C 1.232 177.988 176.870 -0.191 0.000 1.212 253 L CA -0.632 54.075 54.840 -0.222 0.000 0.893 253 L CB 0.187 42.117 42.059 -0.215 0.000 1.138 253 L HN 0.089 nan 8.230 nan 0.000 0.491 254 F N 1.705 121.581 119.950 -0.123 0.000 2.269 254 F HA -0.047 4.509 4.527 0.049 0.000 0.301 254 F C 1.779 177.519 175.800 -0.101 0.000 1.082 254 F CA 0.751 58.681 58.000 -0.118 0.000 1.360 254 F CB -0.624 38.262 39.000 -0.190 0.000 1.041 254 F HN 0.408 nan 8.300 nan 0.000 0.512 255 A N -0.864 121.760 122.820 -0.326 0.000 2.370 255 A HA 0.253 4.603 4.320 0.049 0.000 0.238 255 A C -0.258 177.319 177.584 -0.011 0.000 1.289 255 A CA -0.221 51.788 52.037 -0.047 0.000 0.885 255 A CB -1.141 17.824 19.000 -0.060 0.000 0.961 255 A HN 0.370 nan 8.150 nan 0.000 0.499 256 F N 0.235 120.082 119.950 -0.172 0.000 2.449 256 F HA 0.699 5.254 4.527 0.046 0.000 0.342 256 F C -0.855 174.816 175.800 -0.215 0.000 1.127 256 F CA -1.170 56.696 58.000 -0.222 0.000 0.975 256 F CB 1.050 39.875 39.000 -0.292 0.000 1.146 256 F HN -0.035 nan 8.300 nan 0.000 0.444 257 L N 4.676 125.663 121.223 -0.394 0.000 2.393 257 L HA 0.415 4.784 4.340 0.049 0.000 0.260 257 L C -1.576 175.180 176.870 -0.190 0.000 1.002 257 L CA -0.809 53.929 54.840 -0.170 0.000 0.818 257 L CB 2.397 44.447 42.059 -0.015 0.000 1.369 257 L HN 0.513 nan 8.230 nan 0.000 0.412 258 W N 2.038 123.352 121.300 0.023 0.000 2.296 258 W HA 0.680 5.368 4.660 0.046 0.000 0.316 258 W C 0.236 176.775 176.519 0.034 0.000 1.022 258 W CA -1.012 56.348 57.345 0.024 0.000 1.324 258 W CB 1.324 30.853 29.460 0.116 0.000 1.227 258 W HN 0.522 nan 8.180 nan 0.000 0.409 259 G N 0.190 109.122 108.800 0.220 0.000 3.022 259 G HA2 0.464 4.454 3.960 0.049 0.000 0.284 259 G HA3 0.464 4.454 3.960 0.049 0.000 0.284 259 G C 0.737 175.706 174.900 0.115 0.000 1.375 259 G CA -0.137 45.059 45.100 0.159 0.000 0.902 259 G HN 0.397 nan 8.290 nan 0.000 0.538 260 G N -0.190 108.703 108.800 0.155 0.000 2.469 260 G HA2 0.236 4.225 3.960 0.049 0.000 0.220 260 G HA3 0.236 4.225 3.960 0.049 0.000 0.220 260 G C 0.985 175.871 174.900 -0.023 0.000 1.136 260 G CA 1.634 46.833 45.100 0.164 0.000 0.759 260 G HN 1.269 nan 8.290 nan 0.000 0.562 261 A N 0.329 123.041 122.820 -0.180 0.000 2.302 261 A HA 0.537 4.886 4.320 0.049 0.000 0.295 261 A C -0.639 176.812 177.584 -0.221 0.000 1.235 261 A CA -0.306 51.440 52.037 -0.485 0.000 0.876 261 A CB 0.383 19.024 19.000 -0.597 0.000 1.133 261 A HN 0.211 nan 8.150 nan 0.000 0.533 262 D N 1.940 122.217 120.400 -0.206 0.000 2.947 262 D HA 0.154 4.824 4.640 0.049 0.000 0.224 262 D C 1.035 177.242 176.300 -0.154 0.000 1.230 262 D CA -0.469 53.449 54.000 -0.136 0.000 0.871 262 D CB 1.337 42.101 40.800 -0.060 0.000 1.671 262 D HN 0.625 nan 8.370 nan 0.000 0.507 263 R N 1.917 122.290 120.500 -0.211 0.000 2.237 263 R HA -0.042 4.328 4.340 0.049 0.000 0.219 263 R C 1.545 177.854 176.300 0.015 0.000 1.080 263 R CA 0.644 56.592 56.100 -0.252 0.000 0.995 263 R CB -0.351 29.533 30.300 -0.693 0.000 0.875 263 R HN 0.205 nan 8.270 nan 0.000 0.462 264 V N 1.867 121.840 119.914 0.098 0.000 2.720 264 V HA -0.198 3.951 4.120 0.049 0.000 0.256 264 V C 1.515 177.676 176.094 0.112 0.000 1.082 264 V CA 2.358 64.794 62.300 0.227 0.000 1.101 264 V CB -0.414 31.513 31.823 0.173 0.000 0.693 264 V HN 0.510 nan 8.190 nan 0.000 0.479 265 T N -0.050 114.520 114.554 0.027 0.000 2.803 265 T HA -0.153 4.227 4.350 0.049 0.000 0.269 265 T C 1.724 176.404 174.700 -0.033 0.000 1.052 265 T CA 1.479 63.570 62.100 -0.015 0.000 1.136 265 T CB -0.244 68.590 68.868 -0.057 0.000 0.864 265 T HN 0.553 nan 8.240 nan 0.000 0.467 266 E N 0.902 121.099 120.200 -0.005 0.000 2.110 266 E HA -0.026 4.353 4.350 0.049 0.000 0.193 266 E C 2.196 178.730 176.600 -0.110 0.000 0.988 266 E CA 0.735 57.112 56.400 -0.037 0.000 0.804 266 E CB -0.330 29.397 29.700 0.045 0.000 0.745 266 E HN 0.550 nan 8.360 nan 0.000 0.458 267 I N 1.556 122.067 120.570 -0.098 0.000 2.202 267 I HA -0.238 3.962 4.170 0.049 0.000 0.242 267 I C 1.935 177.875 176.117 -0.295 0.000 1.091 267 I CA 1.074 62.190 61.300 -0.307 0.000 1.368 267 I CB -0.268 37.568 38.000 -0.273 0.000 1.058 267 I HN -0.066 nan 8.210 nan 0.000 0.410 268 D N 0.959 121.277 120.400 -0.137 0.000 2.123 268 D HA -0.175 4.495 4.640 0.049 0.000 0.196 268 D C 2.315 178.518 176.300 -0.162 0.000 0.992 268 D CA 1.229 55.166 54.000 -0.105 0.000 0.833 268 D CB -0.271 40.549 40.800 0.033 0.000 0.954 268 D HN 0.332 nan 8.370 nan 0.000 0.455 269 R N 0.116 120.527 120.500 -0.148 0.000 2.096 269 R HA -0.040 4.330 4.340 0.049 0.000 0.235 269 R C 2.545 178.726 176.300 -0.199 0.000 1.127 269 R CA 0.627 56.639 56.100 -0.148 0.000 0.968 269 R CB -0.230 29.988 30.300 -0.136 0.000 0.861 269 R HN 0.240 nan 8.270 nan 0.000 0.440 270 L N 0.290 121.351 121.223 -0.270 0.000 2.179 270 L HA -0.094 4.275 4.340 0.049 0.000 0.208 270 L C 2.188 178.848 176.870 -0.349 0.000 1.096 270 L CA 0.814 55.466 54.840 -0.314 0.000 0.779 270 L CB -0.232 41.590 42.059 -0.394 0.000 0.922 270 L HN 0.179 nan 8.230 nan 0.000 0.443 271 L N -0.674 120.287 121.223 -0.436 0.000 2.179 271 L HA -0.101 4.269 4.340 0.049 0.000 0.208 271 L C 2.062 178.714 176.870 -0.363 0.000 1.096 271 L CA 1.004 55.538 54.840 -0.510 0.000 0.779 271 L CB -0.308 41.207 42.059 -0.907 0.000 0.922 271 L HN 0.263 nan 8.230 nan 0.000 0.443 272 E N -0.345 119.696 120.200 -0.266 0.000 2.481 272 E HA -0.161 4.218 4.350 0.049 0.000 0.195 272 E C 1.901 178.432 176.600 -0.113 0.000 1.047 272 E CA 0.011 56.333 56.400 -0.130 0.000 0.867 272 E CB 0.203 29.867 29.700 -0.059 0.000 0.858 272 E HN 0.428 nan 8.360 nan 0.000 0.513 273 Q N 1.232 120.949 119.800 -0.139 0.000 2.084 273 Q HA -0.104 4.265 4.340 0.049 0.000 0.202 273 Q C 0.098 176.042 176.000 -0.093 0.000 0.978 273 Q CA 1.176 56.910 55.803 -0.114 0.000 0.844 273 Q CB 0.353 29.011 28.738 -0.133 0.000 0.898 273 Q HN -0.023 nan 8.270 nan 0.000 0.426 274 K N -0.810 119.531 120.400 -0.098 0.000 2.328 274 K HA 0.254 4.604 4.320 0.049 0.000 0.246 274 K C -2.233 174.328 176.600 -0.065 0.000 0.955 274 K CA -2.003 54.239 56.287 -0.075 0.000 0.817 274 K CB 1.654 34.107 32.500 -0.077 0.000 1.208 274 K HN -0.204 nan 8.250 nan 0.000 0.432 275 P HA -0.115 nan 4.420 nan 0.000 0.215 275 P C -0.338 176.944 177.300 -0.029 0.000 1.157 275 P CA 1.417 64.499 63.100 -0.030 0.000 0.874 275 P CB 0.336 32.023 31.700 -0.021 0.000 0.790 276 R N -1.724 118.756 120.500 -0.034 0.000 2.837 276 R HA 0.643 5.012 4.340 0.049 0.000 0.271 276 R C -1.171 175.104 176.300 -0.042 0.000 0.993 276 R CA -0.974 55.109 56.100 -0.028 0.000 0.931 276 R CB 1.441 31.732 30.300 -0.014 0.000 1.206 276 R HN -0.158 nan 8.270 nan 0.000 0.474 277 L N 0.658 121.860 121.223 -0.035 0.000 2.385 277 L HA 0.397 4.767 4.340 0.049 0.000 0.273 277 L C 0.443 177.305 176.870 -0.014 0.000 0.990 277 L CA -0.567 54.249 54.840 -0.039 0.000 0.821 277 L CB 2.049 44.079 42.059 -0.048 0.000 1.279 277 L HN 0.771 nan 8.230 nan 0.000 0.412 278 T N -0.841 113.702 114.554 -0.019 0.000 2.754 278 T HA 0.442 4.822 4.350 0.049 0.000 0.286 278 T C 1.334 176.033 174.700 -0.003 0.000 0.997 278 T CA -0.010 62.082 62.100 -0.012 0.000 0.982 278 T CB 1.054 69.906 68.868 -0.026 0.000 1.027 278 T HN 0.612 nan 8.240 nan 0.000 0.529 279 A N 0.588 123.400 122.820 -0.012 0.000 1.902 279 A HA -0.079 4.271 4.320 0.049 0.000 0.217 279 A C 2.057 179.620 177.584 -0.036 0.000 1.181 279 A CA 1.688 53.712 52.037 -0.022 0.000 0.623 279 A CB -1.069 17.888 19.000 -0.071 0.000 0.818 279 A HN 0.890 nan 8.150 nan 0.000 0.443 280 D N -0.476 119.878 120.400 -0.076 0.000 2.144 280 D HA -0.138 4.532 4.640 0.049 0.000 0.199 280 D C 2.202 178.507 176.300 0.009 0.000 0.984 280 D CA 1.456 55.417 54.000 -0.065 0.000 0.834 280 D CB -0.378 40.364 40.800 -0.096 0.000 0.955 280 D HN 0.636 nan 8.370 nan 0.000 0.465 281 Q N 0.233 120.025 119.800 -0.013 0.000 2.079 281 Q HA -0.016 4.353 4.340 0.049 0.000 0.200 281 Q C 2.219 178.213 176.000 -0.008 0.000 0.974 281 Q CA 1.294 57.077 55.803 -0.033 0.000 0.840 281 Q CB -0.075 28.628 28.738 -0.059 0.000 0.898 281 Q HN 0.208 nan 8.270 nan 0.000 0.430 282 A N 0.877 123.732 122.820 0.058 0.000 1.902 282 A HA -0.201 4.148 4.320 0.049 0.000 0.217 282 A C 1.759 179.521 177.584 0.296 0.000 1.181 282 A CA 1.043 53.191 52.037 0.185 0.000 0.623 282 A CB -1.080 18.051 19.000 0.217 0.000 0.818 282 A HN 0.688 nan 8.150 nan 0.000 0.443 283 W N 1.187 122.498 121.300 0.018 0.000 2.358 283 W HA -0.160 4.531 4.660 0.052 0.000 0.303 283 W C 0.673 177.172 176.519 -0.033 0.000 1.208 283 W CA 1.937 59.271 57.345 -0.018 0.000 1.274 283 W CB -0.247 29.125 29.460 -0.147 0.000 1.138 283 W HN 0.394 nan 8.180 nan 0.000 0.515 284 D N 0.361 120.779 120.400 0.029 0.000 2.309 284 D HA -0.134 4.535 4.640 0.049 0.000 0.212 284 D C 2.206 178.348 176.300 -0.263 0.000 0.968 284 D CA 0.867 54.781 54.000 -0.143 0.000 0.882 284 D CB -0.359 40.376 40.800 -0.108 0.000 0.918 284 D HN 0.044 nan 8.370 nan 0.000 0.503 285 V N 0.929 120.694 119.914 -0.248 0.000 2.490 285 V HA -0.228 3.921 4.120 0.049 0.000 0.250 285 V C 2.387 178.265 176.094 -0.360 0.000 1.061 285 V CA 0.928 62.963 62.300 -0.442 0.000 1.064 285 V CB -0.329 30.978 31.823 -0.861 0.000 0.670 285 V HN 0.220 nan 8.190 nan 0.000 0.461 286 I N -0.083 120.364 120.570 -0.204 0.000 2.099 286 I HA -0.307 3.892 4.170 0.049 0.000 0.239 286 I C 2.745 178.644 176.117 -0.364 0.000 1.066 286 I CA 2.203 63.358 61.300 -0.241 0.000 1.324 286 I CB -0.555 37.157 38.000 -0.481 0.000 1.037 286 I HN 0.208 nan 8.210 nan 0.000 0.401 287 R N 0.575 120.666 120.500 -0.682 0.000 2.096 287 R HA -0.233 4.137 4.340 0.049 0.000 0.240 287 R C 2.398 178.401 176.300 -0.495 0.000 1.139 287 R CA 1.686 57.155 56.100 -1.051 0.000 0.952 287 R CB -0.100 29.459 30.300 -1.234 0.000 0.854 287 R HN 0.371 nan 8.270 nan 0.000 0.436 288 Q N -0.230 119.341 119.800 -0.382 0.000 2.046 288 Q HA -0.102 4.267 4.340 0.049 0.000 0.200 288 Q C 2.257 178.138 176.000 -0.198 0.000 0.975 288 Q CA 2.250 57.893 55.803 -0.267 0.000 0.836 288 Q CB -0.680 27.896 28.738 -0.269 0.000 0.896 288 Q HN 0.595 nan 8.270 nan 0.000 0.428 289 T N -0.761 113.664 114.554 -0.215 0.000 2.833 289 T HA -0.132 4.248 4.350 0.049 0.000 0.269 289 T C 2.071 176.802 174.700 0.052 0.000 1.054 289 T CA 1.668 63.712 62.100 -0.094 0.000 1.135 289 T CB -0.420 68.297 68.868 -0.250 0.000 0.869 289 T HN 0.320 nan 8.240 nan 0.000 0.466 290 S N 1.585 117.284 115.700 -0.003 0.000 2.447 290 S HA -0.015 4.484 4.470 0.049 0.000 0.233 290 S C 2.045 176.710 174.600 0.108 0.000 1.006 290 S CA 0.327 58.583 58.200 0.093 0.000 0.957 290 S CB -0.432 62.837 63.200 0.114 0.000 0.773 290 S HN 0.599 nan 8.310 nan 0.000 0.507 291 R N 0.138 120.663 120.500 0.041 0.000 2.362 291 R HA 0.305 4.674 4.340 0.049 0.000 0.227 291 R C 0.172 176.452 176.300 -0.034 0.000 0.905 291 R CA -0.085 56.034 56.100 0.031 0.000 1.067 291 R CB 0.136 30.434 30.300 -0.003 0.000 1.078 291 R HN 0.378 nan 8.270 nan 0.000 0.516 292 Q N 2.008 121.793 119.800 -0.025 0.000 2.295 292 Q HA -0.001 4.369 4.340 0.049 0.000 0.259 292 Q C -0.756 175.197 176.000 -0.078 0.000 0.976 292 Q CA -0.028 55.716 55.803 -0.099 0.000 0.923 292 Q CB 0.831 29.525 28.738 -0.074 0.000 1.185 292 Q HN -0.008 nan 8.270 nan 0.000 0.410 293 D N 4.204 124.510 120.400 -0.156 0.000 2.450 293 D HA -0.043 4.627 4.640 0.049 0.000 0.247 293 D C 0.240 176.493 176.300 -0.077 0.000 1.162 293 D CA 0.239 54.206 54.000 -0.055 0.000 0.879 293 D CB 0.857 41.652 40.800 -0.009 0.000 1.163 293 D HN 0.762 nan 8.370 nan 0.000 0.472 294 L N 3.605 124.795 121.223 -0.056 0.000 2.509 294 L HA 0.023 4.392 4.340 0.049 0.000 0.222 294 L C 1.893 178.733 176.870 -0.051 0.000 1.123 294 L CA 0.060 54.840 54.840 -0.101 0.000 0.856 294 L CB -0.153 41.801 42.059 -0.173 0.000 0.985 294 L HN 0.384 nan 8.230 nan 0.000 0.456 295 N N -0.055 118.691 118.700 0.077 0.000 2.405 295 N HA -0.034 4.735 4.740 0.049 0.000 0.175 295 N C 1.810 177.446 175.510 0.210 0.000 1.051 295 N CA 0.416 53.609 53.050 0.237 0.000 0.899 295 N CB 0.363 39.140 38.487 0.484 0.000 1.000 295 N HN 0.166 nan 8.380 nan 0.000 0.451 296 L N 2.362 123.655 121.223 0.116 0.000 2.013 296 L HA -0.135 4.234 4.340 0.049 0.000 0.212 296 L C 2.477 179.344 176.870 -0.006 0.000 1.073 296 L CA 1.714 56.593 54.840 0.065 0.000 0.753 296 L CB -0.435 41.579 42.059 -0.075 0.000 0.890 296 L HN 0.028 nan 8.230 nan 0.000 0.432 297 R N -0.766 119.684 120.500 -0.084 0.000 2.120 297 R HA -0.140 4.230 4.340 0.049 0.000 0.234 297 R C 2.205 178.430 176.300 -0.124 0.000 1.123 297 R CA 1.622 57.659 56.100 -0.106 0.000 0.975 297 R CB -0.302 29.916 30.300 -0.137 0.000 0.866 297 R HN 0.484 nan 8.270 nan 0.000 0.446 298 L N -0.693 120.392 121.223 -0.231 0.000 2.027 298 L HA -0.090 4.279 4.340 0.049 0.000 0.206 298 L C 1.565 178.199 176.870 -0.394 0.000 1.074 298 L CA 1.234 55.789 54.840 -0.476 0.000 0.745 298 L CB -0.230 41.237 42.059 -0.987 0.000 0.898 298 L HN 0.166 nan 8.230 nan 0.000 0.433 299 F N -2.030 118.018 119.950 0.163 0.000 2.724 299 F HA 0.100 4.655 4.527 0.046 0.000 0.306 299 F C 1.782 177.577 175.800 -0.009 0.000 1.100 299 F CA -0.314 57.777 58.000 0.152 0.000 1.255 299 F CB -0.213 38.924 39.000 0.230 0.000 1.072 299 F HN -0.152 nan 8.300 nan 0.000 0.589 300 L N 2.154 123.435 121.223 0.096 0.000 2.013 300 L HA -0.088 4.281 4.340 0.049 0.000 0.212 300 L C -0.765 176.113 176.870 0.014 0.000 1.073 300 L CA 2.421 57.272 54.840 0.018 0.000 0.753 300 L CB -1.655 40.410 42.059 0.010 0.000 0.890 300 L HN -0.092 nan 8.230 nan 0.000 0.432 301 P HA -0.104 nan 4.420 nan 0.000 0.216 301 P C 1.659 178.983 177.300 0.039 0.000 1.153 301 P CA 1.779 64.894 63.100 0.025 0.000 0.848 301 P CB -0.155 31.561 31.700 0.027 0.000 0.787 302 T N -0.166 114.441 114.554 0.088 0.000 2.684 302 T HA -0.124 4.255 4.350 0.049 0.000 0.267 302 T C 1.736 176.475 174.700 0.066 0.000 1.036 302 T CA 1.193 63.365 62.100 0.120 0.000 1.148 302 T CB -0.966 68.071 68.868 0.280 0.000 0.863 302 T HN 0.046 nan 8.240 nan 0.000 0.436 303 L N 0.509 121.721 121.223 -0.018 0.000 2.046 303 L HA -0.138 4.232 4.340 0.049 0.000 0.208 303 L C 2.884 179.719 176.870 -0.059 0.000 1.077 303 L CA 1.389 56.157 54.840 -0.120 0.000 0.747 303 L CB -0.520 41.364 42.059 -0.292 0.000 0.896 303 L HN 0.299 nan 8.230 nan 0.000 0.432 304 Q N -0.407 119.370 119.800 -0.038 0.000 2.046 304 Q HA -0.173 4.197 4.340 0.049 0.000 0.200 304 Q C 2.464 178.456 176.000 -0.013 0.000 0.975 304 Q CA 1.604 57.392 55.803 -0.026 0.000 0.836 304 Q CB -0.295 28.431 28.738 -0.020 0.000 0.896 304 Q HN 0.553 nan 8.270 nan 0.000 0.428 305 A N 1.037 123.855 122.820 -0.002 0.000 1.902 305 A HA -0.127 4.223 4.320 0.049 0.000 0.217 305 A C 2.270 179.857 177.584 0.005 0.000 1.181 305 A CA 1.615 53.653 52.037 0.001 0.000 0.623 305 A CB -0.798 18.205 19.000 0.006 0.000 0.818 305 A HN 0.400 nan 8.150 nan 0.000 0.443 306 A N -0.574 122.257 122.820 0.018 0.000 2.015 306 A HA -0.017 4.333 4.320 0.049 0.000 0.219 306 A C 2.172 179.766 177.584 0.017 0.000 1.163 306 A CA 2.163 54.219 52.037 0.031 0.000 0.646 306 A CB -0.881 18.162 19.000 0.072 0.000 0.806 306 A HN 0.786 nan 8.150 nan 0.000 0.448 307 T N -4.326 110.227 114.554 -0.001 0.000 3.069 307 T HA 0.150 4.530 4.350 0.049 0.000 0.252 307 T C 1.625 176.313 174.700 -0.019 0.000 1.053 307 T CA 0.866 62.958 62.100 -0.013 0.000 0.964 307 T CB 0.121 68.972 68.868 -0.028 0.000 1.005 307 T HN 0.195 nan 8.240 nan 0.000 0.532 308 S N 1.525 117.216 115.700 -0.015 0.000 2.365 308 S HA -0.041 4.458 4.470 0.049 0.000 0.225 308 S C 2.113 176.703 174.600 -0.018 0.000 1.039 308 S CA 1.794 59.983 58.200 -0.017 0.000 1.033 308 S CB -1.003 62.189 63.200 -0.013 0.000 0.887 308 S HN 0.768 nan 8.310 nan 0.000 0.447 309 G N 0.379 109.170 108.800 -0.015 0.000 3.042 309 G HA2 0.303 4.292 3.960 0.049 0.000 0.212 309 G HA3 0.303 4.292 3.960 0.049 0.000 0.212 309 G C 0.289 175.177 174.900 -0.019 0.000 1.166 309 G CA -0.342 44.749 45.100 -0.015 0.000 0.767 309 G HN 0.427 nan 8.290 nan 0.000 0.546 310 L N 1.625 122.833 121.223 -0.024 0.000 2.436 310 L HA 0.303 4.673 4.340 0.049 0.000 0.265 310 L C 1.333 178.179 176.870 -0.039 0.000 1.168 310 L CA -0.682 54.139 54.840 -0.031 0.000 0.815 310 L CB 0.751 42.788 42.059 -0.037 0.000 1.109 310 L HN 0.112 nan 8.230 nan 0.000 0.462 311 T N -2.048 112.480 114.554 -0.043 0.000 2.860 311 T HA -0.030 4.350 4.350 0.049 0.000 0.299 311 T C 0.775 175.438 174.700 -0.061 0.000 1.045 311 T CA -0.458 61.614 62.100 -0.047 0.000 1.071 311 T CB 1.230 70.072 68.868 -0.044 0.000 0.985 311 T HN 0.668 nan 8.240 nan 0.000 0.537 312 Q N 0.901 120.667 119.800 -0.058 0.000 2.170 312 Q HA -0.146 4.223 4.340 0.049 0.000 0.203 312 Q C 2.085 178.032 176.000 -0.088 0.000 0.976 312 Q CA 2.167 57.930 55.803 -0.067 0.000 0.858 312 Q CB -0.546 28.159 28.738 -0.055 0.000 0.907 312 Q HN 0.939 nan 8.270 nan 0.000 0.433 313 S N -0.284 115.364 115.700 -0.087 0.000 2.603 313 S HA -0.007 4.493 4.470 0.049 0.000 0.220 313 S C 0.490 174.998 174.600 -0.154 0.000 0.967 313 S CA -0.153 57.981 58.200 -0.109 0.000 0.920 313 S CB 0.069 63.221 63.200 -0.080 0.000 0.773 313 S HN 0.210 nan 8.310 nan 0.000 0.529 314 D N 3.492 123.805 120.400 -0.145 0.000 2.371 314 D HA 0.157 4.826 4.640 0.049 0.000 0.256 314 D C -1.360 174.779 176.300 -0.269 0.000 1.193 314 D CA -1.917 51.979 54.000 -0.174 0.000 0.881 314 D CB 1.639 42.371 40.800 -0.113 0.000 1.143 314 D HN 0.081 nan 8.370 nan 0.000 0.473 315 P HA -0.118 nan 4.420 nan 0.000 0.218 315 P C 1.152 178.228 177.300 -0.372 0.000 1.149 315 P CA 0.886 63.556 63.100 -0.717 0.000 0.817 315 P CB 0.425 31.174 31.700 -1.584 0.000 0.785 316 R N -0.073 120.305 120.500 -0.203 0.000 2.081 316 R HA -0.094 4.276 4.340 0.049 0.000 0.235 316 R C 2.735 178.993 176.300 -0.070 0.000 1.131 316 R CA 1.350 57.417 56.100 -0.056 0.000 0.960 316 R CB -0.611 29.687 30.300 -0.004 0.000 0.856 316 R HN 0.149 nan 8.270 nan 0.000 0.436 317 R N 0.606 121.048 120.500 -0.097 0.000 2.075 317 R HA -0.117 4.252 4.340 0.049 0.000 0.232 317 R C 1.937 178.175 176.300 -0.103 0.000 1.126 317 R CA 1.239 57.287 56.100 -0.087 0.000 0.963 317 R CB 0.112 30.362 30.300 -0.083 0.000 0.858 317 R HN 0.148 nan 8.270 nan 0.000 0.435 318 Q N 0.629 120.340 119.800 -0.148 0.000 2.224 318 Q HA -0.095 4.275 4.340 0.049 0.000 0.203 318 Q C 2.217 178.146 176.000 -0.118 0.000 0.970 318 Q CA 0.992 56.704 55.803 -0.151 0.000 0.865 318 Q CB -0.105 28.505 28.738 -0.214 0.000 0.922 318 Q HN 0.432 nan 8.270 nan 0.000 0.445 319 L N -0.346 120.831 121.223 -0.077 0.000 2.046 319 L HA -0.163 4.207 4.340 0.049 0.000 0.208 319 L C 2.321 179.169 176.870 -0.037 0.000 1.077 319 L CA 0.865 55.700 54.840 -0.008 0.000 0.747 319 L CB -0.512 41.606 42.059 0.097 0.000 0.896 319 L HN 0.026 nan 8.230 nan 0.000 0.432 320 V N -0.541 119.340 119.914 -0.056 0.000 2.427 320 V HA -0.190 3.960 4.120 0.049 0.000 0.248 320 V C 2.420 178.487 176.094 -0.044 0.000 1.051 320 V CA 1.429 63.691 62.300 -0.063 0.000 1.048 320 V CB -0.514 31.262 31.823 -0.079 0.000 0.666 320 V HN 0.441 nan 8.190 nan 0.000 0.456 321 E N 0.172 120.340 120.200 -0.054 0.000 2.150 321 E HA -0.163 4.216 4.350 0.049 0.000 0.193 321 E C 2.264 178.841 176.600 -0.040 0.000 0.985 321 E CA 1.661 58.034 56.400 -0.046 0.000 0.814 321 E CB -0.468 29.196 29.700 -0.060 0.000 0.752 321 E HN 0.585 nan 8.360 nan 0.000 0.466 322 T N 2.096 116.614 114.554 -0.059 0.000 2.746 322 T HA -0.087 4.292 4.350 0.049 0.000 0.267 322 T C 2.138 176.836 174.700 -0.003 0.000 1.039 322 T CA 0.785 62.842 62.100 -0.071 0.000 1.142 322 T CB -0.182 68.608 68.868 -0.130 0.000 0.866 322 T HN 0.099 nan 8.240 nan 0.000 0.444 323 L N 0.667 121.911 121.223 0.035 0.000 2.056 323 L HA -0.096 4.274 4.340 0.049 0.000 0.207 323 L C 2.912 179.872 176.870 0.151 0.000 1.078 323 L CA 1.144 56.076 54.840 0.153 0.000 0.749 323 L CB -1.119 41.004 42.059 0.106 0.000 0.901 323 L HN 0.266 nan 8.230 nan 0.000 0.433 324 T N -0.548 114.043 114.554 0.062 0.000 2.788 324 T HA -0.164 4.215 4.350 0.049 0.000 0.268 324 T C 1.909 176.642 174.700 0.057 0.000 1.044 324 T CA 1.162 63.286 62.100 0.040 0.000 1.139 324 T CB -0.176 68.695 68.868 0.005 0.000 0.867 324 T HN 0.300 nan 8.240 nan 0.000 0.454 325 R N -0.952 119.590 120.500 0.070 0.000 2.307 325 R HA 0.050 4.419 4.340 0.049 0.000 0.199 325 R C 0.168 176.563 176.300 0.157 0.000 1.000 325 R CA 0.118 56.262 56.100 0.073 0.000 1.023 325 R CB 0.118 30.441 30.300 0.038 0.000 0.908 325 R HN 0.324 nan 8.270 nan 0.000 0.473 326 W N 2.083 123.355 121.300 -0.046 0.000 2.551 326 W HA 0.113 4.798 4.660 0.042 0.000 0.330 326 W C 0.160 176.650 176.519 -0.049 0.000 1.063 326 W CA -1.713 55.604 57.345 -0.048 0.000 1.222 326 W CB 1.091 30.523 29.460 -0.047 0.000 1.349 326 W HN 0.024 nan 8.180 nan 0.000 0.536 327 D N 1.718 121.942 120.400 -0.294 0.000 2.340 327 D HA 0.126 4.795 4.640 0.049 0.000 0.220 327 D C 1.580 177.369 176.300 -0.851 0.000 1.039 327 D CA 0.594 54.330 54.000 -0.441 0.000 0.866 327 D CB -0.237 40.408 40.800 -0.259 0.000 0.913 327 D HN 0.778 nan 8.370 nan 0.000 0.523 328 G N 0.220 107.872 108.800 -1.913 0.000 2.179 328 G HA2 -0.241 3.749 3.960 0.049 0.000 0.260 328 G HA3 -0.241 3.749 3.960 0.049 0.000 0.260 328 G C 0.032 174.230 174.900 -1.170 0.000 0.977 328 G CA 0.160 43.967 45.100 -2.155 0.000 0.641 328 G HN 0.367 nan 8.290 nan 0.000 0.533 329 I N 1.588 121.740 120.570 -0.697 0.000 2.352 329 I HA 0.218 4.418 4.170 0.049 0.000 0.290 329 I C 0.106 176.267 176.117 0.073 0.000 1.036 329 I CA -0.767 60.403 61.300 -0.218 0.000 1.336 329 I CB 0.569 38.483 38.000 -0.144 0.000 1.407 329 I HN 0.019 nan 8.210 nan 0.000 0.497 330 N N 7.553 126.238 118.700 -0.025 0.000 2.499 330 N HA 0.511 5.281 4.740 0.049 0.000 0.281 330 N C -0.641 174.858 175.510 -0.019 0.000 1.098 330 N CA -0.225 52.706 53.050 -0.199 0.000 0.979 330 N CB 1.894 39.792 38.487 -0.981 0.000 1.121 330 N HN 0.428 nan 8.380 nan 0.000 0.466 331 L N 2.150 123.441 121.223 0.113 0.000 2.408 331 L HA 0.456 4.826 4.340 0.049 0.000 0.268 331 L C -0.095 177.008 176.870 0.388 0.000 0.986 331 L CA -0.782 54.199 54.840 0.235 0.000 0.820 331 L CB 2.098 44.250 42.059 0.156 0.000 1.303 331 L HN 0.217 nan 8.230 nan 0.000 0.411 332 L N 2.679 124.116 121.223 0.357 0.000 2.426 332 L HA 0.182 4.552 4.340 0.049 0.000 0.271 332 L C 0.623 177.594 176.870 0.167 0.000 1.169 332 L CA -0.249 54.755 54.840 0.272 0.000 0.836 332 L CB 0.203 42.359 42.059 0.162 0.000 1.112 332 L HN 0.631 nan 8.230 nan 0.000 0.465 333 N N 1.239 120.017 118.700 0.129 0.000 2.285 333 N HA -0.029 4.741 4.740 0.049 0.000 0.262 333 N C 0.481 176.027 175.510 0.061 0.000 1.299 333 N CA -0.303 52.795 53.050 0.081 0.000 0.930 333 N CB 0.419 38.941 38.487 0.059 0.000 1.157 333 N HN 0.505 nan 8.380 nan 0.000 0.532 334 D N -0.105 120.322 120.400 0.045 0.000 2.312 334 D HA -0.118 4.551 4.640 0.049 0.000 0.211 334 D C 0.934 177.249 176.300 0.026 0.000 0.964 334 D CA 0.718 54.739 54.000 0.036 0.000 0.877 334 D CB -0.236 40.583 40.800 0.030 0.000 0.924 334 D HN 0.569 nan 8.370 nan 0.000 0.515 335 D N 0.132 120.543 120.400 0.019 0.000 2.264 335 D HA -0.056 4.614 4.640 0.049 0.000 0.208 335 D C 1.670 177.970 176.300 0.001 0.000 0.966 335 D CA 1.125 55.129 54.000 0.007 0.000 0.864 335 D CB -0.663 40.137 40.800 0.001 0.000 0.933 335 D HN 0.187 nan 8.370 nan 0.000 0.499 336 G N 0.072 108.876 108.800 0.006 0.000 2.160 336 G HA2 -0.358 3.631 3.960 0.049 0.000 0.251 336 G HA3 -0.358 3.631 3.960 0.049 0.000 0.251 336 G C 0.882 175.761 174.900 -0.035 0.000 1.008 336 G CA 0.664 45.764 45.100 0.001 0.000 0.724 336 G HN 0.495 nan 8.290 nan 0.000 0.514 337 K N -1.211 119.153 120.400 -0.060 0.000 2.550 337 K HA 0.148 4.498 4.320 0.049 0.000 0.205 337 K C 1.029 177.525 176.600 -0.173 0.000 1.429 337 K CA 0.988 57.211 56.287 -0.107 0.000 0.997 337 K CB 0.885 33.341 32.500 -0.072 0.000 1.328 337 K HN 0.555 nan 8.250 nan 0.000 0.546 338 T N -1.767 112.719 114.554 -0.112 0.000 2.932 338 T HA 0.417 4.796 4.350 0.049 0.000 0.289 338 T C -0.640 174.049 174.700 -0.019 0.000 1.039 338 T CA -0.819 61.218 62.100 -0.106 0.000 1.024 338 T CB 1.494 70.347 68.868 -0.024 0.000 1.090 338 T HN -0.025 nan 8.240 nan 0.000 0.496 339 W N 1.382 122.689 121.300 0.011 0.000 2.313 339 W HA 0.357 5.041 4.660 0.041 0.000 0.328 339 W C 1.620 178.123 176.519 -0.025 0.000 1.197 339 W CA -1.070 56.283 57.345 0.014 0.000 1.235 339 W CB 0.829 30.304 29.460 0.025 0.000 1.158 339 W HN 0.927 nan 8.180 nan 0.000 0.578 340 Q N 0.552 120.491 119.800 0.232 0.000 2.124 340 Q HA -0.158 4.211 4.340 0.049 0.000 0.202 340 Q C 0.358 176.343 176.000 -0.025 0.000 0.977 340 Q CA 1.141 56.993 55.803 0.082 0.000 0.850 340 Q CB 0.229 29.015 28.738 0.079 0.000 0.901 340 Q HN 0.296 nan 8.270 nan 0.000 0.429 341 Q N -0.321 119.401 119.800 -0.129 0.000 2.345 341 Q HA 0.228 4.597 4.340 0.049 0.000 0.268 341 Q C -2.077 173.700 176.000 -0.373 0.000 1.054 341 Q CA -1.928 53.645 55.803 -0.383 0.000 0.835 341 Q CB 1.475 29.678 28.738 -0.891 0.000 1.339 341 Q HN 0.003 nan 8.270 nan 0.000 0.447 342 P HA 0.072 nan 4.420 nan 0.000 0.262 342 P C 0.824 177.994 177.300 -0.217 0.000 1.304 342 P CA 0.233 63.240 63.100 -0.155 0.000 0.859 342 P CB 0.225 31.947 31.700 0.036 0.000 1.310 343 G N 0.891 109.333 108.800 -0.597 0.000 2.422 343 G HA2 -0.219 3.770 3.960 0.049 0.000 0.218 343 G HA3 -0.219 3.770 3.960 0.049 0.000 0.218 343 G C 1.618 176.495 174.900 -0.038 0.000 1.146 343 G CA 0.628 45.473 45.100 -0.425 0.000 0.769 343 G HN 0.226 nan 8.290 nan 0.000 0.547 344 S N 0.982 116.678 115.700 -0.006 0.000 2.368 344 S HA 0.009 4.509 4.470 0.049 0.000 0.225 344 S C 2.779 177.298 174.600 -0.135 0.000 1.030 344 S CA 1.122 59.380 58.200 0.097 0.000 0.999 344 S CB -0.321 63.002 63.200 0.206 0.000 0.844 344 S HN 0.580 nan 8.310 nan 0.000 0.459 345 A N 1.452 124.256 122.820 -0.026 0.000 1.933 345 A HA -0.023 4.327 4.320 0.049 0.000 0.218 345 A C 2.046 179.630 177.584 0.000 0.000 1.175 345 A CA 1.075 53.091 52.037 -0.035 0.000 0.628 345 A CB -0.689 18.337 19.000 0.042 0.000 0.814 345 A HN 0.477 nan 8.150 nan 0.000 0.444 346 I N -0.436 120.175 120.570 0.068 0.000 2.163 346 I HA -0.289 3.911 4.170 0.049 0.000 0.243 346 I C 2.409 178.617 176.117 0.151 0.000 1.085 346 I CA 1.325 62.710 61.300 0.142 0.000 1.347 346 I CB -0.367 37.718 38.000 0.141 0.000 1.044 346 I HN 0.291 nan 8.210 nan 0.000 0.408 347 L N 0.288 121.584 121.223 0.122 0.000 2.046 347 L HA -0.238 4.132 4.340 0.049 0.000 0.208 347 L C 2.381 179.354 176.870 0.171 0.000 1.077 347 L CA 1.661 56.637 54.840 0.228 0.000 0.747 347 L CB -0.802 41.441 42.059 0.308 0.000 0.896 347 L HN 0.397 nan 8.230 nan 0.000 0.432 348 N N 0.000 118.574 118.700 -0.210 0.000 2.043 348 N HA -0.189 4.580 4.740 0.049 0.000 0.193 348 N C 1.835 177.351 175.510 0.011 0.000 1.037 348 N CA 1.638 54.536 53.050 -0.253 0.000 0.851 348 N CB 0.118 38.254 38.487 -0.584 0.000 1.027 348 N HN 0.047 nan 8.380 nan 0.000 0.422 349 V N -0.075 119.859 119.914 0.034 0.000 2.343 349 V HA -0.194 3.956 4.120 0.049 0.000 0.247 349 V C 1.904 178.069 176.094 0.119 0.000 1.051 349 V CA 1.784 64.125 62.300 0.068 0.000 1.036 349 V CB -0.882 30.984 31.823 0.072 0.000 0.654 349 V HN 0.535 nan 8.190 nan 0.000 0.451 350 W N 0.422 121.731 121.300 0.015 0.000 2.355 350 W HA -0.162 4.525 4.660 0.046 0.000 0.309 350 W C 2.163 178.669 176.519 -0.023 0.000 1.206 350 W CA 1.640 58.995 57.345 0.017 0.000 1.284 350 W CB -0.272 29.212 29.460 0.040 0.000 1.145 350 W HN 0.129 nan 8.180 nan 0.000 0.502 351 L N -0.149 121.082 121.223 0.013 0.000 2.046 351 L HA -0.244 4.126 4.340 0.049 0.000 0.208 351 L C 2.503 179.228 176.870 -0.242 0.000 1.077 351 L CA 1.912 56.596 54.840 -0.261 0.000 0.747 351 L CB -1.183 40.888 42.059 0.020 0.000 0.896 351 L HN -0.068 nan 8.230 nan 0.000 0.432 352 T N -1.463 113.039 114.554 -0.087 0.000 2.720 352 T HA -0.241 4.139 4.350 0.049 0.000 0.268 352 T C 2.120 176.739 174.700 -0.134 0.000 1.037 352 T CA 1.822 63.879 62.100 -0.071 0.000 1.144 352 T CB -0.207 68.649 68.868 -0.019 0.000 0.864 352 T HN 0.311 nan 8.240 nan 0.000 0.444 353 S N 0.366 115.964 115.700 -0.170 0.000 2.355 353 S HA -0.080 4.419 4.470 0.049 0.000 0.222 353 S C 2.167 176.594 174.600 -0.288 0.000 1.031 353 S CA 0.889 58.978 58.200 -0.185 0.000 0.993 353 S CB -0.336 62.776 63.200 -0.146 0.000 0.859 353 S HN 0.199 nan 8.310 nan 0.000 0.453 354 M N 1.093 120.389 119.600 -0.507 0.000 2.108 354 M HA -0.036 4.473 4.480 0.049 0.000 0.261 354 M C 2.167 178.247 176.300 -0.365 0.000 1.066 354 M CA 1.358 56.329 55.300 -0.548 0.000 1.107 354 M CB -1.543 30.494 32.600 -0.937 0.000 1.356 354 M HN 0.375 nan 8.290 nan 0.000 0.406 355 L N -0.566 120.486 121.223 -0.285 0.000 2.093 355 L HA -0.213 4.157 4.340 0.049 0.000 0.208 355 L C 2.540 179.333 176.870 -0.128 0.000 1.085 355 L CA 1.137 55.877 54.840 -0.167 0.000 0.755 355 L CB -0.683 41.328 42.059 -0.079 0.000 0.904 355 L HN 0.308 nan 8.230 nan 0.000 0.435 356 K N 0.498 120.825 120.400 -0.121 0.000 2.103 356 K HA -0.178 4.171 4.320 0.049 0.000 0.207 356 K C 2.207 178.741 176.600 -0.110 0.000 1.048 356 K CA 1.390 57.624 56.287 -0.090 0.000 0.930 356 K CB 0.067 32.520 32.500 -0.079 0.000 0.716 356 K HN 0.200 nan 8.250 nan 0.000 0.444 357 R N -0.476 119.932 120.500 -0.154 0.000 2.240 357 R HA -0.017 4.352 4.340 0.049 0.000 0.203 357 R C 1.773 177.941 176.300 -0.221 0.000 1.011 357 R CA 1.437 57.440 56.100 -0.161 0.000 1.007 357 R CB 0.225 30.423 30.300 -0.170 0.000 0.911 357 R HN 0.446 nan 8.270 nan 0.000 0.468 358 T N -3.398 110.994 114.554 -0.269 0.000 3.257 358 T HA 0.058 4.437 4.350 0.049 0.000 0.176 358 T C 1.597 176.162 174.700 -0.226 0.000 0.892 358 T CA 0.163 62.050 62.100 -0.355 0.000 1.147 358 T CB -0.866 67.653 68.868 -0.582 0.000 1.840 358 T HN -0.094 nan 8.240 nan 0.000 0.375 359 V N 1.870 121.674 119.914 -0.184 0.000 2.343 359 V HA -0.099 4.050 4.120 0.049 0.000 0.247 359 V C 2.641 178.676 176.094 -0.098 0.000 1.051 359 V CA 2.091 64.304 62.300 -0.144 0.000 1.036 359 V CB -0.799 30.962 31.823 -0.102 0.000 0.654 359 V HN 0.529 nan 8.190 nan 0.000 0.451 360 V N 0.764 120.659 119.914 -0.032 0.000 2.332 360 V HA -0.239 3.911 4.120 0.049 0.000 0.248 360 V C 2.830 178.916 176.094 -0.014 0.000 1.055 360 V CA 2.256 64.568 62.300 0.021 0.000 1.038 360 V CB -1.324 30.512 31.823 0.021 0.000 0.651 360 V HN 0.667 nan 8.190 nan 0.000 0.450 361 A N -0.467 122.321 122.820 -0.054 0.000 2.067 361 A HA 0.103 4.453 4.320 0.049 0.000 0.219 361 A C 2.251 179.805 177.584 -0.051 0.000 1.158 361 A CA 1.552 53.559 52.037 -0.050 0.000 0.661 361 A CB -0.441 18.517 19.000 -0.071 0.000 0.801 361 A HN 0.568 nan 8.150 nan 0.000 0.452 362 A N -0.846 121.929 122.820 -0.075 0.000 2.123 362 A HA 0.408 4.757 4.320 0.049 0.000 0.214 362 A C 0.695 178.239 177.584 -0.067 0.000 1.152 362 A CA 0.500 52.491 52.037 -0.077 0.000 0.728 362 A CB -0.074 18.861 19.000 -0.108 0.000 0.814 362 A HN 0.257 nan 8.150 nan 0.000 0.464 363 V N 2.480 122.365 119.914 -0.050 0.000 2.394 363 V HA 0.302 4.452 4.120 0.049 0.000 0.282 363 V C -2.429 173.697 176.094 0.054 0.000 1.031 363 V CA -2.045 60.249 62.300 -0.011 0.000 0.881 363 V CB 1.324 33.148 31.823 0.001 0.000 0.982 363 V HN 0.198 nan 8.190 nan 0.000 0.451 364 P HA 0.132 nan 4.420 nan 0.000 0.267 364 P C -0.272 177.099 177.300 0.118 0.000 1.200 364 P CA -0.010 63.138 63.100 0.079 0.000 0.772 364 P CB 0.428 32.177 31.700 0.081 0.000 0.855 365 M N 4.225 123.867 119.600 0.070 0.000 2.243 365 M HA 0.156 4.665 4.480 0.049 0.000 0.341 365 M C -1.326 174.992 176.300 0.029 0.000 1.130 365 M CA -1.197 54.130 55.300 0.046 0.000 1.162 365 M CB 0.412 33.020 32.600 0.013 0.000 1.497 365 M HN 0.271 nan 8.290 nan 0.000 0.456 366 P HA 0.121 nan 4.420 nan 0.000 0.268 366 P C 0.418 177.635 177.300 -0.139 0.000 1.329 366 P CA 0.509 63.539 63.100 -0.116 0.000 0.899 366 P CB 0.007 31.584 31.700 -0.205 0.000 1.378 367 F N 1.912 121.892 119.950 0.050 0.000 2.661 367 F HA -0.076 4.480 4.527 0.048 0.000 0.298 367 F C 2.136 178.049 175.800 0.188 0.000 1.137 367 F CA 0.860 58.901 58.000 0.069 0.000 1.454 367 F CB -0.670 38.329 39.000 -0.003 0.000 1.103 367 F HN -0.020 nan 8.300 nan 0.000 0.577 368 D N 1.197 121.770 120.400 0.288 0.000 2.158 368 D HA -0.253 4.416 4.640 0.049 0.000 0.197 368 D C 1.513 177.948 176.300 0.225 0.000 0.995 368 D CA 1.441 55.598 54.000 0.262 0.000 0.846 368 D CB -0.615 40.263 40.800 0.130 0.000 0.941 368 D HN 0.270 nan 8.370 nan 0.000 0.456 369 K N -0.415 120.054 120.400 0.115 0.000 2.152 369 K HA -0.134 4.216 4.320 0.049 0.000 0.206 369 K C 2.085 178.683 176.600 -0.003 0.000 1.048 369 K CA 1.379 57.672 56.287 0.009 0.000 0.933 369 K CB -0.388 32.050 32.500 -0.104 0.000 0.721 369 K HN 0.266 nan 8.250 nan 0.000 0.447 370 W N -0.092 121.133 121.300 -0.125 0.000 2.519 370 W HA -0.047 4.643 4.660 0.051 0.000 0.266 370 W C 1.225 177.610 176.519 -0.222 0.000 1.253 370 W CA 0.469 57.710 57.345 -0.173 0.000 1.274 370 W CB -0.316 29.032 29.460 -0.186 0.000 1.114 370 W HN 0.074 nan 8.180 nan 0.000 0.596 371 Y N 0.193 120.648 120.300 0.259 0.000 2.578 371 Y HA -0.067 4.514 4.550 0.053 0.000 0.297 371 Y C 2.368 178.316 175.900 0.080 0.000 1.176 371 Y CA 0.953 59.149 58.100 0.160 0.000 1.315 371 Y CB -0.906 37.619 38.460 0.109 0.000 1.031 371 Y HN -0.048 nan 8.280 nan 0.000 0.524 372 S N -0.882 114.896 115.700 0.129 0.000 2.503 372 S HA 0.311 4.811 4.470 0.049 0.000 0.217 372 S C 1.173 175.792 174.600 0.031 0.000 0.999 372 S CA -0.083 58.151 58.200 0.057 0.000 0.914 372 S CB -0.251 62.957 63.200 0.013 0.000 0.782 372 S HN 0.191 nan 8.310 nan 0.000 0.520 373 A N 2.184 125.024 122.820 0.034 0.000 2.477 373 A HA 0.523 4.872 4.320 0.049 0.000 0.246 373 A C 1.306 178.931 177.584 0.067 0.000 1.078 373 A CA 0.102 52.158 52.037 0.031 0.000 0.770 373 A CB 0.257 19.269 19.000 0.019 0.000 1.011 373 A HN 0.610 nan 8.150 nan 0.000 0.494 374 S N 1.675 117.433 115.700 0.096 0.000 2.528 374 S HA 0.375 4.875 4.470 0.049 0.000 0.219 374 S C 1.351 176.033 174.600 0.136 0.000 0.985 374 S CA 0.864 59.162 58.200 0.163 0.000 0.914 374 S CB 0.034 63.402 63.200 0.280 0.000 0.776 374 S HN 2.527 nan 8.310 nan 0.000 0.526 375 G N 0.215 109.043 108.800 0.048 0.000 2.176 375 G HA2 -0.264 3.726 3.960 0.049 0.000 0.232 375 G HA3 -0.264 3.726 3.960 0.049 0.000 0.232 375 G C 0.277 175.040 174.900 -0.228 0.000 0.986 375 G CA 0.280 45.310 45.100 -0.117 0.000 0.643 375 G HN 0.582 nan 8.290 nan 0.000 0.522 376 Y N 1.923 122.257 120.300 0.057 0.000 2.467 376 Y HA 0.274 4.849 4.550 0.042 0.000 0.250 376 Y C 1.448 177.365 175.900 0.029 0.000 1.155 376 Y CA 0.102 58.239 58.100 0.063 0.000 1.249 376 Y CB 0.362 38.882 38.460 0.099 0.000 1.146 376 Y HN 0.473 nan 8.280 nan 0.000 0.524 377 E N 1.126 121.396 120.200 0.116 0.000 2.502 377 E HA 0.049 4.428 4.350 0.049 0.000 0.261 377 E C -0.260 176.359 176.600 0.031 0.000 0.974 377 E CA 0.588 57.024 56.400 0.060 0.000 0.936 377 E CB 1.316 31.029 29.700 0.023 0.000 0.926 377 E HN 0.065 nan 8.360 nan 0.000 0.459 378 T N 1.605 116.172 114.554 0.021 0.000 2.956 378 T HA 0.291 4.671 4.350 0.049 0.000 0.312 378 T C -0.415 174.285 174.700 0.001 0.000 1.151 378 T CA -0.174 61.924 62.100 -0.003 0.000 1.024 378 T CB 1.563 70.419 68.868 -0.019 0.000 1.140 378 T HN 0.665 nan 8.240 nan 0.000 0.473 379 T N 1.800 116.358 114.554 0.007 0.000 2.754 379 T HA 0.237 4.617 4.350 0.049 0.000 0.286 379 T C 1.594 176.302 174.700 0.013 0.000 0.997 379 T CA -0.200 61.912 62.100 0.020 0.000 0.982 379 T CB 0.812 69.706 68.868 0.044 0.000 1.027 379 T HN 0.684 nan 8.240 nan 0.000 0.529 380 Q N 0.195 120.008 119.800 0.021 0.000 2.364 380 Q HA -0.074 4.296 4.340 0.049 0.000 0.207 380 Q C 0.399 176.419 176.000 0.032 0.000 0.970 380 Q CA 1.269 57.081 55.803 0.016 0.000 0.888 380 Q CB -0.394 28.356 28.738 0.019 0.000 0.951 380 Q HN 0.712 nan 8.270 nan 0.000 0.469 381 D N 0.889 121.322 120.400 0.055 0.000 2.340 381 D HA 0.281 4.950 4.640 0.049 0.000 0.217 381 D C 0.537 176.862 176.300 0.042 0.000 1.081 381 D CA 0.967 55.019 54.000 0.087 0.000 0.842 381 D CB 0.574 41.431 40.800 0.096 0.000 0.934 381 D HN 0.423 nan 8.370 nan 0.000 0.511 382 G N 1.269 110.072 108.800 0.004 0.000 2.756 382 G HA2 -0.191 3.799 3.960 0.049 0.000 0.678 382 G HA3 -0.191 3.799 3.960 0.049 0.000 0.678 382 G C -2.750 172.123 174.900 -0.044 0.000 1.349 382 G CA -1.247 43.825 45.100 -0.048 0.000 0.847 382 G HN -0.078 nan 8.290 nan 0.000 0.548 383 P HA 0.139 nan 4.420 nan 0.000 0.265 383 P C 1.370 178.776 177.300 0.176 0.000 1.187 383 P CA 1.005 64.070 63.100 -0.059 0.000 0.766 383 P CB 0.470 31.986 31.700 -0.307 0.000 0.820 384 T N -0.167 114.503 114.554 0.194 0.000 3.085 384 T HA 0.233 4.612 4.350 0.049 0.000 0.263 384 T C 0.938 175.828 174.700 0.318 0.000 1.127 384 T CA 0.778 63.027 62.100 0.249 0.000 1.103 384 T CB -0.295 68.689 68.868 0.193 0.000 0.921 384 T HN 0.495 nan 8.240 nan 0.000 0.510 385 G N 1.055 110.071 108.800 0.360 0.000 2.896 385 G HA2 0.502 4.492 3.960 0.049 0.000 0.247 385 G HA3 0.502 4.492 3.960 0.049 0.000 0.247 385 G C -0.556 174.612 174.900 0.448 0.000 1.187 385 G CA -0.198 45.062 45.100 0.266 0.000 0.837 385 G HN 0.493 nan 8.290 nan 0.000 0.559 386 S N -0.904 114.971 115.700 0.291 0.000 2.596 386 S HA 0.549 5.049 4.470 0.049 0.000 0.260 386 S C 0.083 174.842 174.600 0.265 0.000 1.336 386 S CA -0.286 58.134 58.200 0.366 0.000 0.993 386 S CB 0.573 63.930 63.200 0.262 0.000 0.923 386 S HN 0.536 nan 8.310 nan 0.000 0.567 387 L N 1.959 123.327 121.223 0.243 0.000 2.322 387 L HA 0.585 4.955 4.340 0.049 0.000 0.279 387 L C 0.355 177.149 176.870 -0.127 0.000 1.036 387 L CA -0.716 54.154 54.840 0.050 0.000 0.807 387 L CB 1.215 43.312 42.059 0.063 0.000 1.226 387 L HN 0.727 nan 8.230 nan 0.000 0.433 388 N N 1.268 119.862 118.700 -0.177 0.000 2.774 388 N HA 0.508 5.278 4.740 0.049 0.000 0.264 388 N C -1.060 174.319 175.510 -0.219 0.000 1.415 388 N CA -0.627 52.265 53.050 -0.264 0.000 0.815 388 N CB 1.893 40.233 38.487 -0.244 0.000 1.514 388 N HN 0.358 nan 8.380 nan 0.000 0.523 389 I N 1.344 121.789 120.570 -0.207 0.000 2.471 389 I HA 0.087 4.287 4.170 0.049 0.000 0.286 389 I C 1.146 177.222 176.117 -0.069 0.000 1.079 389 I CA -0.172 61.059 61.300 -0.114 0.000 1.398 389 I CB 0.707 38.641 38.000 -0.112 0.000 1.403 389 I HN 0.475 nan 8.210 nan 0.000 0.530 390 S N 5.036 120.733 115.700 -0.004 0.000 2.589 390 S HA 0.076 4.576 4.470 0.049 0.000 0.265 390 S C 1.095 175.738 174.600 0.071 0.000 1.342 390 S CA -0.640 57.578 58.200 0.031 0.000 1.005 390 S CB 1.557 64.796 63.200 0.065 0.000 0.909 390 S HN 0.536 nan 8.310 nan 0.000 0.555 391 V N 2.590 122.561 119.914 0.095 0.000 2.343 391 V HA 0.001 4.150 4.120 0.049 0.000 0.247 391 V C 2.279 178.519 176.094 0.243 0.000 1.051 391 V CA 2.679 65.069 62.300 0.150 0.000 1.036 391 V CB -1.492 30.434 31.823 0.171 0.000 0.654 391 V HN 1.079 nan 8.190 nan 0.000 0.451 392 G N -0.903 108.058 108.800 0.269 0.000 2.418 392 G HA2 -0.203 3.786 3.960 0.049 0.000 0.217 392 G HA3 -0.203 3.786 3.960 0.049 0.000 0.217 392 G C 1.765 176.788 174.900 0.205 0.000 1.158 392 G CA 0.980 46.246 45.100 0.277 0.000 0.771 392 G HN 0.758 nan 8.290 nan 0.000 0.545 393 A N 0.712 123.653 122.820 0.201 0.000 1.933 393 A HA 0.027 4.376 4.320 0.049 0.000 0.218 393 A C 2.300 180.110 177.584 0.378 0.000 1.175 393 A CA 1.863 54.083 52.037 0.305 0.000 0.628 393 A CB -0.295 18.897 19.000 0.319 0.000 0.814 393 A HN 0.380 nan 8.150 nan 0.000 0.444 394 K N -0.550 119.993 120.400 0.237 0.000 2.097 394 K HA 0.005 4.355 4.320 0.049 0.000 0.205 394 K C 1.731 178.482 176.600 0.253 0.000 1.050 394 K CA 1.356 57.766 56.287 0.206 0.000 0.938 394 K CB -0.295 32.269 32.500 0.108 0.000 0.718 394 K HN 0.526 nan 8.250 nan 0.000 0.442 395 I N 0.838 121.538 120.570 0.218 0.000 2.315 395 I HA -0.246 3.953 4.170 0.049 0.000 0.248 395 I C 2.252 178.484 176.117 0.192 0.000 1.117 395 I CA 0.570 61.973 61.300 0.171 0.000 1.404 395 I CB -0.104 37.965 38.000 0.116 0.000 1.071 395 I HN 0.093 nan 8.210 nan 0.000 0.419 396 L N 0.050 121.414 121.223 0.235 0.000 2.083 396 L HA -0.256 4.113 4.340 0.049 0.000 0.209 396 L C 2.456 179.582 176.870 0.426 0.000 1.083 396 L CA 1.836 56.839 54.840 0.272 0.000 0.752 396 L CB -0.874 41.310 42.059 0.208 0.000 0.899 396 L HN 0.226 nan 8.230 nan 0.000 0.433 397 Y N 0.454 120.976 120.300 0.369 0.000 2.165 397 Y HA -0.240 4.340 4.550 0.051 0.000 0.286 397 Y C 2.415 178.412 175.900 0.163 0.000 1.155 397 Y CA 2.047 60.299 58.100 0.254 0.000 1.164 397 Y CB -0.075 38.420 38.460 0.057 0.000 0.978 397 Y HN 0.288 nan 8.280 nan 0.000 0.513 398 E N 0.312 120.610 120.200 0.162 0.000 2.058 398 E HA -0.229 4.150 4.350 0.049 0.000 0.194 398 E C 2.449 179.064 176.600 0.024 0.000 0.997 398 E CA 1.233 57.658 56.400 0.042 0.000 0.801 398 E CB -0.876 28.886 29.700 0.104 0.000 0.746 398 E HN 0.571 nan 8.360 nan 0.000 0.450 399 A N 1.340 124.230 122.820 0.116 0.000 1.902 399 A HA -0.153 4.196 4.320 0.049 0.000 0.217 399 A C 2.494 180.157 177.584 0.132 0.000 1.181 399 A CA 2.037 54.175 52.037 0.168 0.000 0.623 399 A CB -0.763 18.417 19.000 0.299 0.000 0.818 399 A HN 0.220 nan 8.150 nan 0.000 0.443 400 V N -3.258 116.737 119.914 0.137 0.000 3.217 400 V HA -0.066 4.084 4.120 0.049 0.000 0.264 400 V C 1.613 177.661 176.094 -0.078 0.000 1.135 400 V CA 1.534 63.876 62.300 0.069 0.000 1.142 400 V CB -0.592 31.369 31.823 0.229 0.000 0.754 400 V HN 0.468 nan 8.190 nan 0.000 0.484 401 Q N 0.928 120.623 119.800 -0.175 0.000 2.425 401 Q HA 0.235 4.605 4.340 0.049 0.000 0.204 401 Q C 1.709 177.645 176.000 -0.107 0.000 0.933 401 Q CA 0.835 56.513 55.803 -0.208 0.000 0.939 401 Q CB 0.300 28.841 28.738 -0.330 0.000 1.044 401 Q HN 0.874 nan 8.270 nan 0.000 0.513 402 G N 2.693 111.451 108.800 -0.070 0.000 2.611 402 G HA2 -0.410 3.580 3.960 0.049 0.000 0.301 402 G HA3 -0.410 3.580 3.960 0.049 0.000 0.301 402 G C 0.283 175.163 174.900 -0.034 0.000 1.233 402 G CA 0.698 45.769 45.100 -0.048 0.000 0.993 402 G HN 0.510 nan 8.290 nan 0.000 0.553 403 D N 0.468 120.850 120.400 -0.030 0.000 2.363 403 D HA 0.221 4.890 4.640 0.049 0.000 0.226 403 D C 1.752 178.040 176.300 -0.019 0.000 1.020 403 D CA 1.071 55.060 54.000 -0.018 0.000 0.892 403 D CB 0.155 40.947 40.800 -0.014 0.000 0.900 403 D HN 0.483 nan 8.370 nan 0.000 0.531 404 K N 0.034 120.416 120.400 -0.030 0.000 2.288 404 K HA 0.064 4.413 4.320 0.049 0.000 0.201 404 K C 0.687 177.275 176.600 -0.021 0.000 1.048 404 K CA 0.231 56.501 56.287 -0.028 0.000 0.956 404 K CB 0.105 32.578 32.500 -0.045 0.000 0.746 404 K HN 0.093 nan 8.250 nan 0.000 0.461 405 S N 0.808 116.493 115.700 -0.025 0.000 2.545 405 S HA 0.157 4.657 4.470 0.049 0.000 0.275 405 S C -1.797 172.811 174.600 0.014 0.000 1.299 405 S CA -1.492 56.706 58.200 -0.003 0.000 1.048 405 S CB 0.739 63.937 63.200 -0.003 0.000 0.938 405 S HN 0.051 nan 8.310 nan 0.000 0.496 406 P HA 0.202 nan 4.420 nan 0.000 0.249 406 P C -0.289 177.031 177.300 0.033 0.000 1.229 406 P CA 0.068 63.186 63.100 0.030 0.000 0.788 406 P CB 0.006 31.729 31.700 0.038 0.000 1.072 407 I N 2.349 122.941 120.570 0.037 0.000 2.342 407 I HA 0.287 4.487 4.170 0.049 0.000 0.291 407 I C -2.323 173.811 176.117 0.028 0.000 1.010 407 I CA -3.490 57.832 61.300 0.037 0.000 1.308 407 I CB 0.457 38.486 38.000 0.049 0.000 1.400 407 I HN -0.225 nan 8.210 nan 0.000 0.488 408 P HA 0.092 nan 4.420 nan 0.000 0.267 408 P C -0.476 176.834 177.300 0.017 0.000 1.209 408 P CA -0.262 62.849 63.100 0.017 0.000 0.763 408 P CB 0.366 32.073 31.700 0.013 0.000 0.816 409 Q N 2.648 122.460 119.800 0.020 0.000 2.844 409 Q HA 0.200 4.569 4.340 0.049 0.000 0.235 409 Q C 1.242 177.251 176.000 0.015 0.000 1.336 409 Q CA -0.187 55.631 55.803 0.024 0.000 1.026 409 Q CB 0.364 29.127 28.738 0.041 0.000 1.513 409 Q HN 0.483 nan 8.270 nan 0.000 0.577 410 A N 1.752 124.575 122.820 0.005 0.000 1.978 410 A HA -0.061 4.288 4.320 0.049 0.000 0.220 410 A C 1.023 178.605 177.584 -0.003 0.000 1.170 410 A CA 0.909 52.945 52.037 -0.001 0.000 0.636 410 A CB 0.401 19.395 19.000 -0.010 0.000 0.810 410 A HN 0.399 nan 8.150 nan 0.000 0.448 411 V N 0.595 120.506 119.914 -0.006 0.000 2.540 411 V HA 0.431 4.581 4.120 0.049 0.000 0.302 411 V C -1.414 174.688 176.094 0.013 0.000 1.035 411 V CA -0.976 61.321 62.300 -0.005 0.000 0.873 411 V CB 1.621 33.429 31.823 -0.025 0.000 0.992 411 V HN 0.376 nan 8.190 nan 0.000 0.428 412 D N 5.083 125.503 120.400 0.033 0.000 2.346 412 D HA 0.126 4.796 4.640 0.049 0.000 0.260 412 D C 1.106 177.446 176.300 0.067 0.000 1.252 412 D CA 0.211 54.258 54.000 0.077 0.000 0.895 412 D CB 0.963 41.816 40.800 0.088 0.000 1.097 412 D HN 0.576 nan 8.370 nan 0.000 0.489 413 L N 3.127 124.394 121.223 0.072 0.000 2.456 413 L HA -0.083 4.287 4.340 0.049 0.000 0.224 413 L C 1.233 177.944 176.870 -0.265 0.000 1.148 413 L CA 0.449 55.228 54.840 -0.102 0.000 0.825 413 L CB -0.287 41.670 42.059 -0.170 0.000 0.937 413 L HN 0.429 nan 8.230 nan 0.000 0.450 414 F N -0.200 119.745 119.950 -0.008 0.000 2.727 414 F HA 0.305 4.862 4.527 0.049 0.000 0.302 414 F C 1.590 177.388 175.800 -0.004 0.000 1.097 414 F CA 0.246 58.244 58.000 -0.004 0.000 1.330 414 F CB -0.129 38.875 39.000 0.006 0.000 1.084 414 F HN 0.038 nan 8.300 nan 0.000 0.578 415 A N 0.407 123.290 122.820 0.104 0.000 2.745 415 A HA 0.024 4.373 4.320 0.049 0.000 0.296 415 A C 1.758 179.385 177.584 0.072 0.000 1.500 415 A CA 1.001 53.072 52.037 0.057 0.000 0.766 415 A CB -1.952 17.058 19.000 0.017 0.000 1.030 415 A HN 1.414 nan 8.150 nan 0.000 0.489 416 G N -1.953 106.901 108.800 0.090 0.000 2.205 416 G HA2 -0.299 3.690 3.960 0.049 0.000 0.261 416 G HA3 -0.299 3.690 3.960 0.049 0.000 0.261 416 G C 0.226 175.167 174.900 0.068 0.000 0.980 416 G CA 1.114 46.253 45.100 0.065 0.000 0.632 416 G HN 1.178 nan 8.290 nan 0.000 0.533 417 K N 1.189 121.650 120.400 0.103 0.000 2.154 417 K HA 0.481 4.831 4.320 0.049 0.000 0.264 417 K C -2.440 174.205 176.600 0.075 0.000 1.008 417 K CA -1.761 54.583 56.287 0.094 0.000 0.937 417 K CB 0.780 33.353 32.500 0.120 0.000 1.002 417 K HN 0.018 nan 8.250 nan 0.000 0.469 418 P HA 0.011 nan 4.420 nan 0.000 0.268 418 P C 0.024 177.286 177.300 -0.064 0.000 1.204 418 P CA 0.040 63.123 63.100 -0.029 0.000 0.768 418 P CB 0.624 32.317 31.700 -0.012 0.000 0.842 419 Q N 1.541 121.181 119.800 -0.265 0.000 2.135 419 Q HA -0.280 4.090 4.340 0.049 0.000 0.204 419 Q C 2.005 177.952 176.000 -0.090 0.000 0.981 419 Q CA 1.571 57.083 55.803 -0.485 0.000 0.856 419 Q CB -0.157 28.107 28.738 -0.790 0.000 0.902 419 Q HN 0.601 nan 8.270 nan 0.000 0.425 420 Q N 1.092 120.868 119.800 -0.041 0.000 2.096 420 Q HA -0.268 4.102 4.340 0.049 0.000 0.204 420 Q C 1.977 178.028 176.000 0.085 0.000 0.982 420 Q CA 1.745 57.571 55.803 0.038 0.000 0.850 420 Q CB -0.066 28.681 28.738 0.015 0.000 0.901 420 Q HN 0.399 nan 8.270 nan 0.000 0.422 421 E N -0.602 119.642 120.200 0.073 0.000 2.085 421 E HA -0.197 4.183 4.350 0.049 0.000 0.194 421 E C 1.897 178.578 176.600 0.135 0.000 0.994 421 E CA 1.650 58.105 56.400 0.092 0.000 0.801 421 E CB 0.061 29.806 29.700 0.075 0.000 0.743 421 E HN 0.338 nan 8.360 nan 0.000 0.453 422 V N 0.523 120.552 119.914 0.192 0.000 2.358 422 V HA -0.208 3.941 4.120 0.049 0.000 0.246 422 V C 2.476 178.708 176.094 0.230 0.000 1.047 422 V CA 1.311 63.745 62.300 0.224 0.000 1.035 422 V CB -0.220 31.831 31.823 0.380 0.000 0.658 422 V HN 0.198 nan 8.190 nan 0.000 0.452 423 V N -0.079 120.018 119.914 0.305 0.000 2.332 423 V HA -0.268 3.881 4.120 0.049 0.000 0.248 423 V C 2.313 178.645 176.094 0.396 0.000 1.055 423 V CA 2.020 64.582 62.300 0.437 0.000 1.038 423 V CB -0.540 31.535 31.823 0.419 0.000 0.651 423 V HN 0.437 nan 8.190 nan 0.000 0.450 424 L N -0.174 121.193 121.223 0.240 0.000 2.056 424 L HA -0.105 4.264 4.340 0.049 0.000 0.207 424 L C 2.741 179.720 176.870 0.182 0.000 1.078 424 L CA 1.402 56.353 54.840 0.185 0.000 0.749 424 L CB -0.785 41.343 42.059 0.115 0.000 0.901 424 L HN 0.358 nan 8.230 nan 0.000 0.433 425 A N 0.171 123.084 122.820 0.154 0.000 1.908 425 A HA -0.197 4.152 4.320 0.049 0.000 0.218 425 A C 2.498 180.161 177.584 0.132 0.000 1.181 425 A CA 1.821 53.931 52.037 0.121 0.000 0.627 425 A CB -0.669 18.382 19.000 0.085 0.000 0.818 425 A HN 0.408 nan 8.150 nan 0.000 0.445 426 A N -0.592 122.312 122.820 0.139 0.000 1.969 426 A HA 0.051 4.401 4.320 0.049 0.000 0.218 426 A C 2.124 179.911 177.584 0.339 0.000 1.169 426 A CA 1.307 53.402 52.037 0.097 0.000 0.635 426 A CB -0.495 18.362 19.000 -0.239 0.000 0.810 426 A HN 0.469 nan 8.150 nan 0.000 0.445 427 L N -0.916 120.580 121.223 0.455 0.000 2.141 427 L HA -0.164 4.205 4.340 0.049 0.000 0.209 427 L C 2.593 179.641 176.870 0.297 0.000 1.094 427 L CA 1.628 56.702 54.840 0.391 0.000 0.763 427 L CB -0.334 41.877 42.059 0.254 0.000 0.908 427 L HN 0.587 nan 8.230 nan 0.000 0.437 428 E N 0.191 120.532 120.200 0.234 0.000 2.072 428 E HA -0.241 4.139 4.350 0.049 0.000 0.191 428 E C 1.564 178.303 176.600 0.231 0.000 0.985 428 E CA 1.342 57.877 56.400 0.225 0.000 0.801 428 E CB 0.168 29.962 29.700 0.157 0.000 0.750 428 E HN 0.402 nan 8.360 nan 0.000 0.452 429 D N -0.181 120.325 120.400 0.177 0.000 2.117 429 D HA -0.127 4.543 4.640 0.049 0.000 0.197 429 D C 1.895 178.285 176.300 0.150 0.000 0.987 429 D CA 1.528 55.605 54.000 0.128 0.000 0.829 429 D CB -0.463 40.384 40.800 0.078 0.000 0.961 429 D HN 0.181 nan 8.370 nan 0.000 0.460 430 T N 0.201 114.890 114.554 0.224 0.000 2.708 430 T HA -0.164 4.216 4.350 0.049 0.000 0.266 430 T C 1.657 176.514 174.700 0.262 0.000 1.037 430 T CA 0.842 63.087 62.100 0.242 0.000 1.146 430 T CB -0.351 68.715 68.868 0.331 0.000 0.865 430 T HN 0.385 nan 8.240 nan 0.000 0.435 431 W N 2.051 123.452 121.300 0.168 0.000 2.358 431 W HA -0.138 4.552 4.660 0.050 0.000 0.303 431 W C 1.926 178.532 176.519 0.145 0.000 1.208 431 W CA 1.061 58.521 57.345 0.191 0.000 1.274 431 W CB -0.033 29.516 29.460 0.148 0.000 1.138 431 W HN 0.226 nan 8.180 nan 0.000 0.515 432 E N -0.041 120.191 120.200 0.053 0.000 2.031 432 E HA -0.162 4.217 4.350 0.049 0.000 0.193 432 E C 2.063 178.563 176.600 -0.166 0.000 0.994 432 E CA 2.133 58.488 56.400 -0.076 0.000 0.800 432 E CB -0.937 28.791 29.700 0.048 0.000 0.752 432 E HN 0.192 nan 8.360 nan 0.000 0.447 433 T N 1.980 116.473 114.554 -0.102 0.000 2.674 433 T HA -0.093 4.287 4.350 0.049 0.000 0.265 433 T C 2.150 176.707 174.700 -0.239 0.000 1.039 433 T CA 0.989 63.008 62.100 -0.134 0.000 1.150 433 T CB -0.236 68.592 68.868 -0.067 0.000 0.864 433 T HN 0.065 nan 8.240 nan 0.000 0.427 434 L N 1.282 122.346 121.223 -0.264 0.000 2.131 434 L HA -0.038 4.331 4.340 0.049 0.000 0.206 434 L C 2.915 179.376 176.870 -0.681 0.000 1.087 434 L CA 1.264 55.831 54.840 -0.456 0.000 0.767 434 L CB -0.624 41.186 42.059 -0.414 0.000 0.917 434 L HN 0.366 nan 8.230 nan 0.000 0.441 435 S N -0.421 114.883 115.700 -0.661 0.000 2.423 435 S HA -0.167 4.332 4.470 0.049 0.000 0.231 435 S C 1.905 176.271 174.600 -0.390 0.000 1.014 435 S CA 0.751 58.587 58.200 -0.606 0.000 0.965 435 S CB -0.223 62.354 63.200 -1.039 0.000 0.785 435 S HN 0.343 nan 8.310 nan 0.000 0.495 436 K N 0.829 121.015 120.400 -0.356 0.000 2.148 436 K HA 0.028 4.378 4.320 0.049 0.000 0.204 436 K C 2.462 178.872 176.600 -0.317 0.000 1.050 436 K CA 1.167 57.298 56.287 -0.259 0.000 0.942 436 K CB -0.117 32.261 32.500 -0.204 0.000 0.724 436 K HN 0.340 nan 8.250 nan 0.000 0.446 437 R N 0.054 120.278 120.500 -0.460 0.000 2.055 437 R HA -0.112 4.257 4.340 0.049 0.000 0.228 437 R C 1.240 177.130 176.300 -0.684 0.000 1.143 437 R CA 1.724 57.425 56.100 -0.666 0.000 0.945 437 R CB -0.219 29.479 30.300 -1.003 0.000 0.841 437 R HN 0.155 nan 8.270 nan 0.000 0.429 438 Y N -0.545 119.449 120.300 -0.511 0.000 2.444 438 Y HA 0.432 5.009 4.550 0.045 0.000 0.249 438 Y C 0.835 176.607 175.900 -0.213 0.000 1.134 438 Y CA 0.283 58.085 58.100 -0.497 0.000 1.261 438 Y CB 0.851 38.602 38.460 -1.181 0.000 1.143 438 Y HN 0.453 nan 8.280 nan 0.000 0.523 439 G N 0.822 109.598 108.800 -0.040 0.000 2.757 439 G HA2 -0.281 3.708 3.960 0.049 0.000 0.638 439 G HA3 -0.281 3.708 3.960 0.049 0.000 0.638 439 G C 0.086 175.169 174.900 0.304 0.000 1.344 439 G CA -0.167 45.000 45.100 0.112 0.000 0.855 439 G HN 0.410 nan 8.290 nan 0.000 0.537 440 N N 0.171 119.044 118.700 0.288 0.000 2.398 440 N HA 0.033 4.802 4.740 0.049 0.000 0.188 440 N C 0.596 176.336 175.510 0.383 0.000 1.122 440 N CA 0.195 53.489 53.050 0.407 0.000 0.866 440 N CB 0.155 38.866 38.487 0.373 0.000 0.970 440 N HN 0.432 nan 8.380 nan 0.000 0.462 441 N N 1.043 119.905 118.700 0.270 0.000 2.678 441 N HA 0.089 4.859 4.740 0.049 0.000 0.231 441 N C 0.752 176.127 175.510 -0.224 0.000 1.038 441 N CA -0.192 52.897 53.050 0.065 0.000 0.932 441 N CB 0.707 39.245 38.487 0.086 0.000 1.176 441 N HN -0.198 nan 8.380 nan 0.000 0.511 442 V N 2.100 121.658 119.914 -0.593 0.000 2.392 442 V HA -0.211 3.939 4.120 0.049 0.000 0.249 442 V C 1.844 177.541 176.094 -0.662 0.000 1.059 442 V CA 1.806 63.318 62.300 -1.313 0.000 1.051 442 V CB -0.507 30.713 31.823 -1.004 0.000 0.658 442 V HN 0.611 nan 8.190 nan 0.000 0.455 443 S N 1.388 116.897 115.700 -0.319 0.000 2.547 443 S HA -0.108 4.391 4.470 0.049 0.000 0.235 443 S C 1.553 176.102 174.600 -0.084 0.000 0.980 443 S CA 1.165 59.260 58.200 -0.175 0.000 0.941 443 S CB -0.429 62.703 63.200 -0.114 0.000 0.763 443 S HN 0.920 nan 8.310 nan 0.000 0.532 444 N N -0.481 118.201 118.700 -0.030 0.000 2.236 444 N HA -0.010 4.759 4.740 0.049 0.000 0.196 444 N C -0.713 174.898 175.510 0.168 0.000 1.114 444 N CA -0.352 52.739 53.050 0.069 0.000 0.859 444 N CB -0.370 38.170 38.487 0.089 0.000 0.982 444 N HN 0.174 nan 8.380 nan 0.000 0.493 445 W N 2.082 123.305 121.300 -0.129 0.000 2.469 445 W HA 0.275 4.964 4.660 0.049 0.000 0.321 445 W C 0.160 176.489 176.519 -0.316 0.000 1.415 445 W CA -0.794 56.366 57.345 -0.308 0.000 1.308 445 W CB 0.052 29.244 29.460 -0.448 0.000 1.368 445 W HN -0.076 nan 8.180 nan 0.000 0.546 446 K N 2.964 123.312 120.400 -0.087 0.000 2.357 446 K HA 0.207 4.556 4.320 0.049 0.000 0.251 446 K C 0.457 177.002 176.600 -0.092 0.000 1.069 446 K CA -0.296 55.965 56.287 -0.043 0.000 0.994 446 K CB 0.647 33.162 32.500 0.024 0.000 1.411 446 K HN 0.339 nan 8.250 nan 0.000 0.450 447 T N -0.191 114.290 114.554 -0.122 0.000 2.913 447 T HA 0.354 4.734 4.350 0.049 0.000 0.287 447 T C -2.248 172.441 174.700 -0.017 0.000 1.008 447 T CA -2.093 59.963 62.100 -0.073 0.000 1.067 447 T CB 1.032 69.865 68.868 -0.059 0.000 0.996 447 T HN 0.201 nan 8.240 nan 0.000 0.513 448 P HA 0.338 nan 4.420 nan 0.000 0.271 448 P C -0.550 176.456 177.300 -0.490 0.000 1.220 448 P CA -0.343 62.652 63.100 -0.176 0.000 0.768 448 P CB 0.467 32.101 31.700 -0.110 0.000 0.848 449 A N 4.733 127.103 122.820 -0.751 0.000 2.302 449 A HA 0.528 4.878 4.320 0.049 0.000 0.285 449 A C 0.500 177.555 177.584 -0.883 0.000 1.105 449 A CA -0.707 50.356 52.037 -1.624 0.000 0.816 449 A CB 0.128 18.296 19.000 -1.388 0.000 1.067 449 A HN 0.530 nan 8.150 nan 0.000 0.489 450 M N 1.211 120.347 119.600 -0.773 0.000 2.250 450 M HA 0.452 4.962 4.480 0.049 0.000 0.344 450 M C 0.496 176.764 176.300 -0.054 0.000 1.150 450 M CA 0.141 55.317 55.300 -0.206 0.000 1.147 450 M CB 1.273 33.868 32.600 -0.009 0.000 1.498 450 M HN 0.821 nan 8.290 nan 0.000 0.461 451 A N 2.789 125.594 122.820 -0.025 0.000 2.312 451 A HA 0.933 5.283 4.320 0.049 0.000 0.310 451 A C -1.414 176.199 177.584 0.049 0.000 1.139 451 A CA -0.777 51.274 52.037 0.024 0.000 0.886 451 A CB 1.190 20.192 19.000 0.004 0.000 1.350 451 A HN 0.845 nan 8.150 nan 0.000 0.479 452 L N -0.362 120.844 121.223 -0.028 0.000 2.386 452 L HA 0.714 5.083 4.340 0.049 0.000 0.271 452 L C -1.035 175.709 176.870 -0.210 0.000 0.993 452 L CA -0.084 54.619 54.840 -0.229 0.000 0.819 452 L CB 2.457 44.210 42.059 -0.510 0.000 1.294 452 L HN 0.687 nan 8.230 nan 0.000 0.414 453 T N 3.969 118.357 114.554 -0.277 0.000 2.841 453 T HA 0.460 4.839 4.350 0.049 0.000 0.285 453 T C -0.731 173.795 174.700 -0.290 0.000 0.991 453 T CA -0.105 61.854 62.100 -0.234 0.000 0.966 453 T CB 0.707 69.496 68.868 -0.132 0.000 0.962 453 T HN 0.244 nan 8.240 nan 0.000 0.438 454 F N 3.134 122.982 119.950 -0.170 0.000 2.464 454 F HA 0.341 4.921 4.527 0.087 0.000 0.353 454 F C 1.316 177.058 175.800 -0.097 0.000 1.191 454 F CA -0.808 57.133 58.000 -0.097 0.000 1.147 454 F CB 0.000 38.947 39.000 -0.088 0.000 1.294 454 F HN 0.207 nan 8.300 nan 0.000 0.583 455 R N 1.289 121.807 120.500 0.030 0.000 2.543 455 R HA 0.343 4.713 4.340 0.049 0.000 0.277 455 R C 1.095 177.530 176.300 0.225 0.000 1.074 455 R CA 0.145 56.306 56.100 0.101 0.000 1.076 455 R CB 0.779 31.142 30.300 0.106 0.000 0.993 455 R HN 0.746 nan 8.270 nan 0.000 0.459 456 A N 3.212 126.140 122.820 0.180 0.000 2.178 456 A HA 0.003 4.353 4.320 0.049 0.000 0.211 456 A C 0.233 177.935 177.584 0.198 0.000 1.157 456 A CA 0.430 52.572 52.037 0.176 0.000 0.780 456 A CB -0.219 18.856 19.000 0.126 0.000 0.828 456 A HN 0.779 nan 8.150 nan 0.000 0.476 457 N N 1.554 120.391 118.700 0.228 0.000 2.455 457 N HA 0.247 5.016 4.740 0.049 0.000 0.280 457 N C -0.382 175.319 175.510 0.317 0.000 1.055 457 N CA -0.588 52.596 53.050 0.223 0.000 0.961 457 N CB 0.728 39.331 38.487 0.193 0.000 1.121 457 N HN 0.564 nan 8.380 nan 0.000 0.476 458 N N 1.575 120.387 118.700 0.186 0.000 2.255 458 N HA -0.079 4.691 4.740 0.049 0.000 0.253 458 N C 0.758 176.294 175.510 0.044 0.000 1.313 458 N CA -0.211 52.847 53.050 0.015 0.000 0.912 458 N CB 0.043 38.563 38.487 0.055 0.000 1.145 458 N HN 0.553 nan 8.380 nan 0.000 0.511 459 F N -2.370 117.484 119.950 -0.159 0.000 2.333 459 F HA 0.165 4.714 4.527 0.038 0.000 0.300 459 F C 1.244 177.076 175.800 0.052 0.000 1.083 459 F CA 0.342 58.348 58.000 0.011 0.000 1.395 459 F CB -0.714 38.250 39.000 -0.059 0.000 1.056 459 F HN 0.253 nan 8.300 nan 0.000 0.529 460 F N 1.500 121.092 119.950 -0.597 0.000 2.604 460 F HA 0.285 4.843 4.527 0.053 0.000 0.298 460 F C 2.129 177.880 175.800 -0.082 0.000 1.131 460 F CA 0.815 58.599 58.000 -0.360 0.000 1.457 460 F CB -0.522 38.200 39.000 -0.462 0.000 1.095 460 F HN 0.258 nan 8.300 nan 0.000 0.574 461 G N 0.298 109.195 108.800 0.162 0.000 2.132 461 G HA2 -0.224 3.766 3.960 0.049 0.000 0.234 461 G HA3 -0.224 3.766 3.960 0.049 0.000 0.234 461 G C -0.205 174.763 174.900 0.113 0.000 0.989 461 G CA -0.011 45.179 45.100 0.151 0.000 0.676 461 G HN 0.150 nan 8.290 nan 0.000 0.522 462 V N 1.337 121.310 119.914 0.098 0.000 2.394 462 V HA 0.463 4.613 4.120 0.049 0.000 0.282 462 V C -1.713 174.421 176.094 0.068 0.000 1.031 462 V CA -1.866 60.463 62.300 0.048 0.000 0.881 462 V CB 1.807 33.614 31.823 -0.027 0.000 0.982 462 V HN 0.068 nan 8.190 nan 0.000 0.451 463 P HA 0.015 nan 4.420 nan 0.000 0.261 463 P C -0.032 177.308 177.300 0.067 0.000 1.173 463 P CA 0.388 63.532 63.100 0.073 0.000 0.760 463 P CB 0.152 31.885 31.700 0.055 0.000 0.783 464 Q N 2.626 122.480 119.800 0.090 0.000 2.112 464 Q HA 0.632 5.002 4.340 0.049 0.000 0.222 464 Q C -0.263 175.787 176.000 0.084 0.000 0.798 464 Q CA -0.607 55.246 55.803 0.082 0.000 1.060 464 Q CB 0.770 29.564 28.738 0.093 0.000 1.184 464 Q HN 0.319 nan 8.270 nan 0.000 0.475 465 A N 0.180 123.051 122.820 0.085 0.000 2.549 465 A HA 0.721 5.070 4.320 0.049 0.000 0.291 465 A C -1.406 176.225 177.584 0.079 0.000 1.034 465 A CA -0.492 51.597 52.037 0.087 0.000 0.655 465 A CB 0.105 19.168 19.000 0.106 0.000 1.299 465 A HN 0.413 nan 8.150 nan 0.000 0.427 466 A N 0.189 123.052 122.820 0.072 0.000 2.366 466 A HA 0.634 4.983 4.320 0.049 0.000 0.249 466 A C 1.538 179.168 177.584 0.076 0.000 1.084 466 A CA 0.613 52.687 52.037 0.062 0.000 0.794 466 A CB -0.089 18.938 19.000 0.045 0.000 1.034 466 A HN 2.432 nan 8.150 nan 0.000 0.491 467 A N 0.420 123.282 122.820 0.071 0.000 1.940 467 A HA -0.185 4.165 4.320 0.049 0.000 0.219 467 A C 1.823 179.460 177.584 0.087 0.000 1.176 467 A CA 1.879 53.965 52.037 0.081 0.000 0.631 467 A CB -0.698 18.346 19.000 0.073 0.000 0.814 467 A HN 0.986 nan 8.150 nan 0.000 0.446 468 E N 0.220 120.467 120.200 0.078 0.000 2.401 468 E HA -0.197 4.182 4.350 0.049 0.000 0.199 468 E C 1.099 177.760 176.600 0.102 0.000 1.023 468 E CA 1.212 57.662 56.400 0.083 0.000 0.859 468 E CB -0.341 29.395 29.700 0.060 0.000 0.780 468 E HN 0.774 nan 8.360 nan 0.000 0.523 469 E N 0.996 121.263 120.200 0.111 0.000 2.481 469 E HA 0.021 4.400 4.350 0.049 0.000 0.195 469 E C 0.020 176.677 176.600 0.095 0.000 1.047 469 E CA 0.157 56.642 56.400 0.142 0.000 0.867 469 E CB 0.180 29.983 29.700 0.170 0.000 0.858 469 E HN 0.139 nan 8.360 nan 0.000 0.513 470 T N 2.449 117.052 114.554 0.081 0.000 2.934 470 T HA 0.044 4.423 4.350 0.049 0.000 0.306 470 T C 0.273 174.961 174.700 -0.020 0.000 1.042 470 T CA 0.262 62.375 62.100 0.022 0.000 1.145 470 T CB 0.420 69.297 68.868 0.014 0.000 0.982 470 T HN -0.039 nan 8.240 nan 0.000 0.544 471 R N 2.050 122.512 120.500 -0.062 0.000 2.711 471 R HA 0.510 4.879 4.340 0.049 0.000 0.284 471 R C -0.831 175.411 176.300 -0.097 0.000 0.968 471 R CA -0.757 55.332 56.100 -0.019 0.000 0.924 471 R CB 1.153 31.421 30.300 -0.053 0.000 1.162 471 R HN 0.726 nan 8.270 nan 0.000 0.465 472 H N 0.032 119.193 119.070 0.152 0.000 2.572 472 H HA 0.358 4.935 4.556 0.035 0.000 0.359 472 H C -0.662 174.735 175.328 0.116 0.000 1.134 472 H CA -0.553 55.563 56.048 0.115 0.000 1.187 472 H CB 2.498 32.297 29.762 0.061 0.000 1.597 472 H HN 0.336 nan 8.280 nan 0.000 0.524 473 Q N 2.169 122.085 119.800 0.194 0.000 2.337 473 Q HA 0.545 4.915 4.340 0.049 0.000 0.270 473 Q C -0.177 175.864 176.000 0.069 0.000 1.043 473 Q CA -0.688 55.191 55.803 0.125 0.000 0.794 473 Q CB 1.874 30.679 28.738 0.111 0.000 1.281 473 Q HN 0.847 nan 8.270 nan 0.000 0.446 474 A N 3.675 126.527 122.820 0.054 0.000 1.902 474 A HA -0.131 4.219 4.320 0.049 0.000 0.217 474 A C 0.742 178.340 177.584 0.023 0.000 1.181 474 A CA 1.290 53.344 52.037 0.028 0.000 0.623 474 A CB -0.157 18.857 19.000 0.024 0.000 0.818 474 A HN 0.774 nan 8.150 nan 0.000 0.443 475 E N -0.294 119.927 120.200 0.035 0.000 2.044 475 E HA 0.283 4.663 4.350 0.049 0.000 0.282 475 E C -1.143 175.486 176.600 0.049 0.000 1.031 475 E CA -0.804 55.642 56.400 0.078 0.000 0.824 475 E CB 0.199 29.957 29.700 0.097 0.000 1.076 475 E HN 0.395 nan 8.360 nan 0.000 0.395 476 Y N 3.970 124.275 120.300 0.008 0.000 2.610 476 Y HA -0.041 4.558 4.550 0.082 0.000 0.332 476 Y C -0.550 175.388 175.900 0.062 0.000 1.201 476 Y CA 0.647 58.724 58.100 -0.040 0.000 1.465 476 Y CB 0.531 39.012 38.460 0.036 0.000 1.283 476 Y HN 0.484 nan 8.280 nan 0.000 0.563 477 Q N 4.788 124.022 119.800 -0.944 0.000 2.292 477 Q HA 0.175 4.544 4.340 0.049 0.000 0.270 477 Q C -1.107 174.496 176.000 -0.661 0.000 1.024 477 Q CA -0.989 54.512 55.803 -0.503 0.000 0.768 477 Q CB 1.344 29.944 28.738 -0.230 0.000 1.250 477 Q HN 0.596 nan 8.270 nan 0.000 0.447 478 N N 3.815 122.391 118.700 -0.207 0.000 2.895 478 N HA 0.066 4.835 4.740 0.049 0.000 0.277 478 N C -1.169 174.513 175.510 0.286 0.000 1.185 478 N CA 0.064 53.227 53.050 0.188 0.000 1.106 478 N CB 0.083 38.832 38.487 0.438 0.000 1.422 478 N HN 0.597 nan 8.380 nan 0.000 0.521 479 R N -0.426 120.230 120.500 0.260 0.000 2.795 479 R HA 0.654 5.023 4.340 0.049 0.000 0.268 479 R C -0.012 176.397 176.300 0.182 0.000 1.041 479 R CA -1.113 55.080 56.100 0.155 0.000 0.927 479 R CB -0.093 30.259 30.300 0.086 0.000 1.235 479 R HN 0.092 nan 8.270 nan 0.000 0.463 480 G N 0.103 108.909 108.800 0.011 0.000 2.391 480 G HA2 0.079 4.069 3.960 0.049 0.000 0.234 480 G HA3 0.079 4.069 3.960 0.049 0.000 0.234 480 G C 0.462 175.424 174.900 0.105 0.000 1.284 480 G CA -0.004 45.059 45.100 -0.061 0.000 0.873 480 G HN 0.598 nan 8.290 nan 0.000 0.549 481 T N 1.206 115.674 114.554 -0.142 0.000 2.759 481 T HA -0.073 4.307 4.350 0.049 0.000 0.269 481 T C 0.958 175.720 174.700 0.103 0.000 1.042 481 T CA 2.077 64.072 62.100 -0.175 0.000 1.140 481 T CB -0.128 68.591 68.868 -0.247 0.000 0.864 481 T HN 0.855 nan 8.240 nan 0.000 0.455 482 E N 0.502 120.741 120.200 0.065 0.000 2.336 482 E HA 0.586 4.965 4.350 0.049 0.000 0.267 482 E C -1.392 175.204 176.600 -0.006 0.000 0.906 482 E CA -1.044 55.413 56.400 0.096 0.000 0.781 482 E CB 0.921 30.632 29.700 0.019 0.000 1.261 482 E HN 0.082 nan 8.360 nan 0.000 0.436 483 N N 0.530 119.262 118.700 0.053 0.000 2.249 483 N HA 0.400 5.169 4.740 0.049 0.000 0.296 483 N C -1.879 173.690 175.510 0.098 0.000 1.051 483 N CA -0.832 52.179 53.050 -0.064 0.000 0.815 483 N CB 1.478 39.836 38.487 -0.215 0.000 1.487 483 N HN 0.652 nan 8.380 nan 0.000 0.475 484 D N 1.173 121.591 120.400 0.029 0.000 2.819 484 D HA 0.379 5.048 4.640 0.049 0.000 0.232 484 D C -1.104 175.287 176.300 0.152 0.000 1.160 484 D CA -0.528 53.553 54.000 0.135 0.000 0.858 484 D CB 2.109 42.937 40.800 0.047 0.000 1.610 484 D HN 0.365 nan 8.370 nan 0.000 0.481 485 M N 1.829 121.576 119.600 0.244 0.000 2.393 485 M HA 0.515 5.024 4.480 0.049 0.000 0.299 485 M C -2.150 174.224 176.300 0.123 0.000 1.103 485 M CA -0.698 54.719 55.300 0.195 0.000 0.910 485 M CB 1.850 34.653 32.600 0.339 0.000 1.659 485 M HN 0.416 nan 8.290 nan 0.000 0.445 486 I N 4.781 125.335 120.570 -0.028 0.000 2.465 486 I HA 0.537 4.736 4.170 0.049 0.000 0.291 486 I C -1.000 174.977 176.117 -0.233 0.000 1.014 486 I CA -0.640 60.511 61.300 -0.249 0.000 1.093 486 I CB 2.111 39.855 38.000 -0.427 0.000 1.267 486 I HN 0.364 nan 8.210 nan 0.000 0.431 487 V N 6.155 125.896 119.914 -0.289 0.000 2.448 487 V HA 0.464 4.614 4.120 0.049 0.000 0.295 487 V C -0.832 175.059 176.094 -0.339 0.000 1.025 487 V CA -0.564 61.642 62.300 -0.155 0.000 0.859 487 V CB 1.414 33.275 31.823 0.063 0.000 0.988 487 V HN 0.365 nan 8.190 nan 0.000 0.431 488 F N 2.108 122.025 119.950 -0.055 0.000 2.444 488 F HA 0.480 5.036 4.527 0.049 0.000 0.342 488 F C 1.115 176.896 175.800 -0.032 0.000 1.121 488 F CA -0.536 57.423 58.000 -0.068 0.000 0.997 488 F CB 1.943 40.898 39.000 -0.075 0.000 1.130 488 F HN 0.576 nan 8.300 nan 0.000 0.454 489 S N 2.482 118.298 115.700 0.194 0.000 3.628 489 S HA -0.123 4.376 4.470 0.049 0.000 0.373 489 S C -2.499 172.143 174.600 0.071 0.000 0.968 489 S CA -0.376 57.888 58.200 0.108 0.000 1.215 489 S CB -1.790 61.468 63.200 0.098 0.000 0.912 489 S HN 0.381 nan 8.310 nan 0.000 0.495 490 P HA 0.092 nan 4.420 nan 0.000 0.267 490 P C 1.153 178.475 177.300 0.038 0.000 1.200 490 P CA 0.164 63.291 63.100 0.044 0.000 0.772 490 P CB 0.475 32.200 31.700 0.042 0.000 0.855 491 T N -2.827 111.747 114.554 0.033 0.000 3.100 491 T HA -0.029 4.350 4.350 0.049 0.000 0.253 491 T C 1.220 175.935 174.700 0.025 0.000 1.118 491 T CA 0.987 63.103 62.100 0.027 0.000 1.058 491 T CB -1.108 67.773 68.868 0.022 0.000 0.953 491 T HN 0.483 nan 8.240 nan 0.000 0.515 492 T N -1.174 113.397 114.554 0.029 0.000 3.107 492 T HA 0.357 4.736 4.350 0.049 0.000 0.249 492 T C 0.594 175.314 174.700 0.034 0.000 1.096 492 T CA -0.099 62.019 62.100 0.030 0.000 1.012 492 T CB 0.007 68.894 68.868 0.033 0.000 0.977 492 T HN 0.370 nan 8.240 nan 0.000 0.527 493 S N 0.738 116.458 115.700 0.033 0.000 2.570 493 S HA 0.323 4.822 4.470 0.049 0.000 0.270 493 S C -0.274 174.342 174.600 0.027 0.000 1.149 493 S CA -0.391 57.827 58.200 0.031 0.000 0.837 493 S CB 1.677 64.896 63.200 0.031 0.000 1.124 493 S HN 0.335 nan 8.310 nan 0.000 0.465 494 D N 1.398 121.812 120.400 0.025 0.000 2.348 494 D HA 0.002 4.671 4.640 0.049 0.000 0.211 494 D C -0.077 176.239 176.300 0.026 0.000 0.998 494 D CA -0.155 53.860 54.000 0.025 0.000 0.873 494 D CB 0.077 40.891 40.800 0.023 0.000 0.925 494 D HN 0.245 nan 8.370 nan 0.000 0.524 495 R N 1.486 121.998 120.500 0.020 0.000 2.491 495 R HA 0.187 4.557 4.340 0.049 0.000 0.283 495 R C -1.673 174.637 176.300 0.017 0.000 1.072 495 R CA -1.765 54.344 56.100 0.016 0.000 1.048 495 R CB -0.201 30.099 30.300 -0.000 0.000 0.983 495 R HN 0.030 nan 8.270 nan 0.000 0.450 496 P HA -0.053 nan 4.420 nan 0.000 0.219 496 P C -0.124 177.213 177.300 0.062 0.000 1.150 496 P CA 0.904 64.055 63.100 0.085 0.000 0.814 496 P CB 0.434 32.205 31.700 0.119 0.000 0.787 497 V N -0.306 119.559 119.914 -0.081 0.000 2.760 497 V HA 0.350 4.499 4.120 0.049 0.000 0.309 497 V C -0.438 175.411 176.094 -0.409 0.000 1.077 497 V CA -0.704 61.358 62.300 -0.397 0.000 0.910 497 V CB 2.457 33.912 31.823 -0.613 0.000 1.008 497 V HN -0.179 nan 8.190 nan 0.000 0.424 498 L N 3.326 124.237 121.223 -0.520 0.000 2.362 498 L HA 1.014 5.383 4.340 0.049 0.000 0.271 498 L C -0.100 176.269 176.870 -0.836 0.000 1.002 498 L CA -0.589 53.876 54.840 -0.626 0.000 0.818 498 L CB 2.147 43.887 42.059 -0.531 0.000 1.298 498 L HN 0.831 nan 8.230 nan 0.000 0.420 499 A N 2.076 124.254 122.820 -1.070 0.000 2.594 499 A HA 0.844 5.194 4.320 0.049 0.000 0.295 499 A C -2.127 174.925 177.584 -0.886 0.000 1.071 499 A CA -0.523 51.082 52.037 -0.720 0.000 0.685 499 A CB 1.614 20.404 19.000 -0.349 0.000 1.285 499 A HN 0.677 nan 8.150 nan 0.000 0.405 500 W N 0.836 121.978 121.300 -0.265 0.000 3.107 500 W HA 0.540 5.228 4.660 0.048 0.000 0.331 500 W C -1.151 175.265 176.519 -0.173 0.000 1.204 500 W CA -0.301 56.867 57.345 -0.295 0.000 1.184 500 W CB 2.361 31.575 29.460 -0.411 0.000 1.421 500 W HN 1.033 nan 8.180 nan 0.000 0.544 501 D N -0.843 119.604 120.400 0.078 0.000 2.759 501 D HA 0.562 5.231 4.640 0.049 0.000 0.321 501 D C -1.871 174.502 176.300 0.122 0.000 1.267 501 D CA -0.649 53.421 54.000 0.117 0.000 0.933 501 D CB 2.014 42.846 40.800 0.054 0.000 1.431 501 D HN 0.134 nan 8.370 nan 0.000 0.504 502 V N -0.266 119.744 119.914 0.159 0.000 2.697 502 V HA 0.518 4.667 4.120 0.049 0.000 0.300 502 V C -1.759 174.426 176.094 0.152 0.000 1.115 502 V CA -0.466 61.939 62.300 0.175 0.000 0.912 502 V CB 1.685 33.681 31.823 0.289 0.000 1.024 502 V HN 0.576 nan 8.190 nan 0.000 0.431 503 V N 7.155 127.114 119.914 0.076 0.000 2.320 503 V HA 0.755 4.905 4.120 0.049 0.000 0.268 503 V C 0.482 176.564 176.094 -0.019 0.000 1.021 503 V CA 0.095 62.413 62.300 0.030 0.000 0.813 503 V CB 1.153 32.964 31.823 -0.020 0.000 1.054 503 V HN 1.099 nan 8.190 nan 0.000 0.444 504 A N 5.587 128.381 122.820 -0.042 0.000 2.303 504 A HA 0.835 5.185 4.320 0.049 0.000 0.317 504 A C -1.805 175.597 177.584 -0.305 0.000 1.149 504 A CA -1.593 50.320 52.037 -0.207 0.000 0.822 504 A CB 1.270 20.093 19.000 -0.295 0.000 1.131 504 A HN 0.534 nan 8.150 nan 0.000 0.493 505 P HA 0.138 nan 4.420 nan 0.000 0.222 505 P C 0.682 177.830 177.300 -0.253 0.000 1.153 505 P CA 1.558 64.366 63.100 -0.488 0.000 0.798 505 P CB 0.298 31.665 31.700 -0.554 0.000 0.796 506 G N -1.829 106.861 108.800 -0.183 0.000 2.441 506 G HA2 0.181 4.170 3.960 0.049 0.000 0.294 506 G HA3 0.181 4.170 3.960 0.049 0.000 0.294 506 G C -0.384 174.477 174.900 -0.064 0.000 1.393 506 G CA -0.236 44.816 45.100 -0.079 0.000 0.796 506 G HN -0.191 nan 8.290 nan 0.000 0.494 507 Q N 0.010 119.788 119.800 -0.035 0.000 2.119 507 Q HA 0.129 4.498 4.340 0.049 0.000 0.201 507 Q C 1.398 177.403 176.000 0.009 0.000 0.972 507 Q CA 1.900 57.654 55.803 -0.081 0.000 0.847 507 Q CB -0.125 28.526 28.738 -0.145 0.000 0.903 507 Q HN 0.602 nan 8.270 nan 0.000 0.433 508 S N -1.572 114.189 115.700 0.102 0.000 2.525 508 S HA 0.600 5.100 4.470 0.049 0.000 0.290 508 S C 0.550 175.260 174.600 0.184 0.000 1.152 508 S CA -0.283 58.027 58.200 0.184 0.000 1.072 508 S CB 1.358 64.717 63.200 0.265 0.000 1.027 508 S HN 0.412 nan 8.310 nan 0.000 0.500 509 G N 2.995 111.926 108.800 0.218 0.000 3.126 509 G HA2 0.175 4.165 3.960 0.049 0.000 0.224 509 G HA3 0.175 4.165 3.960 0.049 0.000 0.224 509 G C -0.045 175.067 174.900 0.354 0.000 1.142 509 G CA -0.348 44.891 45.100 0.232 0.000 0.759 509 G HN 0.620 nan 8.290 nan 0.000 0.550 510 F N 1.800 121.876 119.950 0.210 0.000 2.495 510 F HA 0.550 5.106 4.527 0.049 0.000 0.365 510 F C -0.078 175.771 175.800 0.081 0.000 1.090 510 F CA -0.890 57.189 58.000 0.131 0.000 1.235 510 F CB 0.510 39.567 39.000 0.095 0.000 1.119 510 F HN -0.161 nan 8.300 nan 0.000 0.562 511 I N 6.173 126.232 120.570 -0.852 0.000 2.466 511 I HA 0.422 4.621 4.170 0.049 0.000 0.289 511 I C -0.091 175.320 176.117 -1.175 0.000 1.026 511 I CA -1.021 59.819 61.300 -0.767 0.000 1.078 511 I CB 1.580 39.329 38.000 -0.418 0.000 1.249 511 I HN 0.753 nan 8.210 nan 0.000 0.429 512 A N 7.425 129.774 122.820 -0.785 0.000 2.327 512 A HA 0.422 4.772 4.320 0.049 0.000 0.255 512 A C -1.676 175.771 177.584 -0.229 0.000 1.099 512 A CA -0.931 50.865 52.037 -0.402 0.000 0.801 512 A CB -0.288 18.700 19.000 -0.021 0.000 1.062 512 A HN 0.589 nan 8.150 nan 0.000 0.496 513 P HA -0.175 nan 4.420 nan 0.000 0.216 513 P C 0.517 177.781 177.300 -0.060 0.000 1.150 513 P CA 1.761 64.825 63.100 -0.060 0.000 0.843 513 P CB -0.019 31.677 31.700 -0.007 0.000 0.787 514 D N -2.032 118.338 120.400 -0.050 0.000 2.336 514 D HA 0.070 4.740 4.640 0.049 0.000 0.229 514 D C 1.385 177.644 176.300 -0.068 0.000 1.061 514 D CA 0.655 54.628 54.000 -0.045 0.000 0.875 514 D CB -0.869 39.915 40.800 -0.026 0.000 0.904 514 D HN 0.258 nan 8.370 nan 0.000 0.525 515 G N -0.563 108.173 108.800 -0.107 0.000 2.194 515 G HA2 -0.251 3.738 3.960 0.049 0.000 0.236 515 G HA3 -0.251 3.738 3.960 0.049 0.000 0.236 515 G C 0.362 175.167 174.900 -0.159 0.000 0.987 515 G CA 0.176 45.197 45.100 -0.130 0.000 0.635 515 G HN 0.428 nan 8.290 nan 0.000 0.520 516 T N 2.300 116.773 114.554 -0.135 0.000 2.769 516 T HA 0.458 4.837 4.350 0.049 0.000 0.293 516 T C 0.982 175.572 174.700 -0.184 0.000 0.931 516 T CA 0.356 62.383 62.100 -0.122 0.000 1.139 516 T CB 1.467 70.304 68.868 -0.052 0.000 0.881 516 T HN 1.414 nan 8.240 nan 0.000 0.532 517 V N 1.537 121.301 119.914 -0.250 0.000 2.881 517 V HA 0.378 4.527 4.120 0.049 0.000 0.303 517 V C 0.381 176.408 176.094 -0.112 0.000 1.070 517 V CA -1.140 60.938 62.300 -0.371 0.000 1.074 517 V CB 0.837 32.184 31.823 -0.794 0.000 1.012 517 V HN 0.756 nan 8.190 nan 0.000 0.482 518 D N 2.076 122.501 120.400 0.042 0.000 2.378 518 D HA 0.108 4.778 4.640 0.049 0.000 0.238 518 D C 1.408 177.746 176.300 0.064 0.000 1.180 518 D CA 0.445 54.540 54.000 0.159 0.000 0.895 518 D CB 0.967 41.949 40.800 0.303 0.000 1.192 518 D HN 0.818 nan 8.370 nan 0.000 0.438 519 K N 1.073 121.445 120.400 -0.046 0.000 2.209 519 K HA -0.159 4.190 4.320 0.049 0.000 0.204 519 K C 0.522 176.910 176.600 -0.352 0.000 1.048 519 K CA 1.187 57.337 56.287 -0.229 0.000 0.940 519 K CB -0.076 32.214 32.500 -0.351 0.000 0.729 519 K HN 0.456 nan 8.250 nan 0.000 0.451 520 H N -0.705 118.436 119.070 0.119 0.000 2.472 520 H HA 0.067 4.652 4.556 0.048 0.000 0.287 520 H C 0.096 175.496 175.328 0.120 0.000 1.112 520 H CA -0.409 55.694 56.048 0.092 0.000 1.021 520 H CB 0.055 29.852 29.762 0.058 0.000 1.635 520 H HN 0.288 nan 8.280 nan 0.000 0.559 521 Y N 2.238 122.579 120.300 0.068 0.000 2.395 521 Y HA -0.078 4.504 4.550 0.052 0.000 0.293 521 Y C 1.334 177.234 175.900 0.001 0.000 1.123 521 Y CA 1.340 59.464 58.100 0.041 0.000 1.227 521 Y CB 0.823 39.296 38.460 0.022 0.000 1.012 521 Y HN 0.345 nan 8.280 nan 0.000 0.552 522 E N -1.522 118.728 120.200 0.082 0.000 2.835 522 E HA 0.042 4.421 4.350 0.049 0.000 0.183 522 E C 0.027 176.629 176.600 0.003 0.000 0.934 522 E CA 0.411 56.799 56.400 -0.020 0.000 1.324 522 E CB -0.456 29.291 29.700 0.079 0.000 1.038 522 E HN 0.417 nan 8.360 nan 0.000 0.481 523 D N 1.009 121.436 120.400 0.045 0.000 2.349 523 D HA -0.081 4.588 4.640 0.049 0.000 0.224 523 D C 1.134 177.462 176.300 0.046 0.000 1.029 523 D CA 0.170 54.209 54.000 0.065 0.000 0.879 523 D CB 0.221 41.097 40.800 0.126 0.000 0.906 523 D HN 0.326 nan 8.370 nan 0.000 0.528 524 Q N -0.335 119.469 119.800 0.006 0.000 2.189 524 Q HA 0.288 4.658 4.340 0.049 0.000 0.223 524 Q C 1.885 177.890 176.000 0.009 0.000 0.828 524 Q CA -0.226 55.587 55.803 0.017 0.000 0.967 524 Q CB 0.899 29.644 28.738 0.012 0.000 1.139 524 Q HN 0.212 nan 8.270 nan 0.000 0.497 525 L N 0.590 121.781 121.223 -0.053 0.000 1.976 525 L HA -0.205 4.165 4.340 0.049 0.000 0.209 525 L C 2.144 179.049 176.870 0.058 0.000 1.071 525 L CA 1.138 55.938 54.840 -0.066 0.000 0.746 525 L CB -0.281 41.701 42.059 -0.128 0.000 0.890 525 L HN 0.087 nan 8.230 nan 0.000 0.432 526 K N -0.321 120.102 120.400 0.038 0.000 2.097 526 K HA -0.186 4.163 4.320 0.049 0.000 0.206 526 K C 1.992 178.624 176.600 0.053 0.000 1.049 526 K CA 1.520 57.835 56.287 0.047 0.000 0.933 526 K CB -0.474 32.048 32.500 0.036 0.000 0.717 526 K HN 0.303 nan 8.250 nan 0.000 0.442 527 M N -0.407 119.232 119.600 0.066 0.000 2.117 527 M HA -0.239 4.270 4.480 0.049 0.000 0.262 527 M C 2.145 178.496 176.300 0.085 0.000 1.065 527 M CA 1.584 56.927 55.300 0.070 0.000 1.114 527 M CB -0.277 32.368 32.600 0.076 0.000 1.361 527 M HN 0.094 nan 8.290 nan 0.000 0.408 528 Y N 1.009 121.313 120.300 0.006 0.000 2.097 528 Y HA -0.326 4.249 4.550 0.041 0.000 0.282 528 Y C 2.340 178.158 175.900 -0.138 0.000 1.152 528 Y CA 2.584 60.686 58.100 0.004 0.000 1.136 528 Y CB -0.499 38.016 38.460 0.092 0.000 0.975 528 Y HN 0.456 nan 8.280 nan 0.000 0.498 529 E N 0.140 120.318 120.200 -0.037 0.000 2.153 529 E HA -0.246 4.134 4.350 0.049 0.000 0.194 529 E C 1.237 177.602 176.600 -0.392 0.000 0.988 529 E CA 1.429 57.698 56.400 -0.217 0.000 0.811 529 E CB -0.374 29.317 29.700 -0.016 0.000 0.746 529 E HN 0.678 nan 8.360 nan 0.000 0.466 530 N N -0.258 118.315 118.700 -0.211 0.000 2.314 530 N HA -0.075 4.694 4.740 0.049 0.000 0.200 530 N C -0.460 175.100 175.510 0.083 0.000 1.135 530 N CA 0.090 53.102 53.050 -0.063 0.000 0.835 530 N CB -0.456 38.051 38.487 0.034 0.000 0.989 530 N HN 0.217 nan 8.380 nan 0.000 0.478 531 F N -1.814 118.135 119.950 -0.001 0.000 3.018 531 F HA -0.166 4.390 4.527 0.049 0.000 0.287 531 F C 1.141 177.094 175.800 0.255 0.000 0.813 531 F CA 0.435 58.496 58.000 0.102 0.000 1.209 531 F CB -1.784 37.265 39.000 0.080 0.000 1.321 531 F HN 0.274 nan 8.300 nan 0.000 0.477 532 G N 0.323 109.245 108.800 0.204 0.000 2.563 532 G HA2 0.747 4.736 3.960 0.049 0.000 0.283 532 G HA3 0.747 4.736 3.960 0.049 0.000 0.283 532 G C -0.121 174.816 174.900 0.062 0.000 1.309 532 G CA -0.241 44.907 45.100 0.081 0.000 1.022 532 G HN 0.484 nan 8.290 nan 0.000 0.501 533 R N -1.429 119.010 120.500 -0.101 0.000 2.709 533 R HA 0.487 4.857 4.340 0.049 0.000 0.270 533 R C -1.345 174.921 176.300 -0.056 0.000 1.038 533 R CA -1.091 54.939 56.100 -0.116 0.000 0.872 533 R CB 1.252 31.250 30.300 -0.503 0.000 1.259 533 R HN 0.690 nan 8.270 nan 0.000 0.473 534 K N 0.713 121.116 120.400 0.004 0.000 2.267 534 K HA 0.493 4.842 4.320 0.049 0.000 0.246 534 K C -0.799 175.728 176.600 -0.122 0.000 0.954 534 K CA -0.858 55.411 56.287 -0.030 0.000 0.824 534 K CB 2.195 34.655 32.500 -0.067 0.000 1.167 534 K HN 0.438 nan 8.250 nan 0.000 0.431 535 S N 1.946 117.419 115.700 -0.378 0.000 2.533 535 S HA 0.149 4.649 4.470 0.049 0.000 0.282 535 S C -0.069 173.834 174.600 -1.160 0.000 1.304 535 S CA -0.612 56.999 58.200 -0.983 0.000 1.063 535 S CB 0.002 62.310 63.200 -1.485 0.000 0.881 535 S HN 0.385 nan 8.310 nan 0.000 0.493 536 L N 3.570 124.201 121.223 -0.987 0.000 2.276 536 L HA 0.386 4.755 4.340 0.049 0.000 0.286 536 L C -0.526 175.893 176.870 -0.752 0.000 1.061 536 L CA -0.400 54.002 54.840 -0.729 0.000 0.807 536 L CB 0.581 42.411 42.059 -0.382 0.000 1.177 536 L HN 0.693 nan 8.230 nan 0.000 0.429 537 W N 3.995 125.198 121.300 -0.162 0.000 2.449 537 W HA 0.379 5.069 4.660 0.051 0.000 0.331 537 W C 0.518 177.001 176.519 -0.060 0.000 1.119 537 W CA -0.728 56.541 57.345 -0.125 0.000 1.240 537 W CB 1.235 30.632 29.460 -0.104 0.000 1.251 537 W HN 0.365 nan 8.180 nan 0.000 0.576 538 L N 1.557 122.916 121.223 0.227 0.000 2.588 538 L HA 0.204 4.573 4.340 0.049 0.000 0.194 538 L C 1.417 178.340 176.870 0.088 0.000 1.070 538 L CA 0.978 55.914 54.840 0.160 0.000 0.852 538 L CB -0.600 41.542 42.059 0.138 0.000 1.199 538 L HN 0.397 nan 8.230 nan 0.000 0.486 539 T N -2.509 112.088 114.554 0.071 0.000 2.868 539 T HA 0.114 4.493 4.350 0.049 0.000 0.292 539 T C 1.025 175.675 174.700 -0.083 0.000 1.028 539 T CA -0.286 61.810 62.100 -0.007 0.000 1.059 539 T CB 0.846 69.724 68.868 0.016 0.000 0.991 539 T HN 0.198 nan 8.240 nan 0.000 0.531 540 K N 0.732 121.064 120.400 -0.113 0.000 2.097 540 K HA -0.165 4.184 4.320 0.049 0.000 0.206 540 K C 2.551 179.087 176.600 -0.106 0.000 1.049 540 K CA 1.642 57.850 56.287 -0.131 0.000 0.933 540 K CB -0.152 32.289 32.500 -0.098 0.000 0.717 540 K HN 0.602 nan 8.250 nan 0.000 0.442 541 Q N 0.733 120.481 119.800 -0.086 0.000 2.079 541 Q HA -0.142 4.228 4.340 0.049 0.000 0.200 541 Q C 1.609 177.519 176.000 -0.149 0.000 0.974 541 Q CA 1.500 57.243 55.803 -0.100 0.000 0.840 541 Q CB -0.005 28.689 28.738 -0.074 0.000 0.898 541 Q HN 0.231 nan 8.270 nan 0.000 0.430 542 D N -0.581 119.735 120.400 -0.140 0.000 2.117 542 D HA -0.096 4.573 4.640 0.049 0.000 0.198 542 D C 1.876 177.951 176.300 -0.375 0.000 0.982 542 D CA 0.783 54.621 54.000 -0.270 0.000 0.828 542 D CB -0.111 40.613 40.800 -0.127 0.000 0.967 542 D HN 0.046 nan 8.370 nan 0.000 0.464 543 V N 0.964 120.762 119.914 -0.193 0.000 2.255 543 V HA -0.254 3.895 4.120 0.049 0.000 0.247 543 V C 2.465 178.465 176.094 -0.156 0.000 1.051 543 V CA 1.926 64.145 62.300 -0.135 0.000 1.018 543 V CB -0.463 31.327 31.823 -0.054 0.000 0.641 543 V HN 0.129 nan 8.190 nan 0.000 0.445 544 E N 0.850 120.959 120.200 -0.152 0.000 2.110 544 E HA -0.181 4.198 4.350 0.049 0.000 0.193 544 E C 2.032 178.508 176.600 -0.207 0.000 0.988 544 E CA 1.630 57.946 56.400 -0.141 0.000 0.804 544 E CB -0.497 29.133 29.700 -0.117 0.000 0.745 544 E HN 0.524 nan 8.360 nan 0.000 0.458 545 A N -0.661 121.978 122.820 -0.303 0.000 2.121 545 A HA -0.122 4.227 4.320 0.049 0.000 0.218 545 A C 0.984 178.133 177.584 -0.725 0.000 1.154 545 A CA 1.576 53.326 52.037 -0.478 0.000 0.679 545 A CB -0.573 18.091 19.000 -0.559 0.000 0.795 545 A HN 0.427 nan 8.150 nan 0.000 0.458 546 H N -1.438 117.413 119.070 -0.364 0.000 2.512 546 H HA 0.252 4.838 4.556 0.050 0.000 0.276 546 H C 0.175 175.434 175.328 -0.115 0.000 1.126 546 H CA -0.268 55.619 56.048 -0.268 0.000 1.060 546 H CB 0.217 29.698 29.762 -0.469 0.000 1.646 546 H HN 0.368 nan 8.280 nan 0.000 0.571 547 K N 1.558 121.923 120.400 -0.059 0.000 2.368 547 K HA -0.024 4.325 4.320 0.049 0.000 0.282 547 K C 0.932 177.538 176.600 0.010 0.000 1.035 547 K CA 0.089 56.367 56.287 -0.015 0.000 0.973 547 K CB 0.911 33.388 32.500 -0.038 0.000 0.957 547 K HN 0.416 nan 8.250 nan 0.000 0.474 548 E N 2.345 122.569 120.200 0.041 0.000 2.244 548 E HA -0.012 4.368 4.350 0.049 0.000 0.196 548 E C -0.568 176.059 176.600 0.045 0.000 0.939 548 E CA 0.242 56.677 56.400 0.058 0.000 0.884 548 E CB 0.419 30.184 29.700 0.109 0.000 0.850 548 E HN 0.691 nan 8.360 nan 0.000 0.481 549 S N -0.534 115.189 115.700 0.038 0.000 2.615 549 S HA 0.418 4.918 4.470 0.049 0.000 0.269 549 S C -1.213 173.398 174.600 0.018 0.000 1.161 549 S CA -1.029 57.188 58.200 0.028 0.000 0.817 549 S CB 1.734 64.957 63.200 0.038 0.000 1.131 549 S HN 0.237 nan 8.310 nan 0.000 0.467 550 Q N -0.044 119.763 119.800 0.011 0.000 2.482 550 Q HA 0.768 5.137 4.340 0.049 0.000 0.286 550 Q C -1.644 174.356 176.000 0.001 0.000 1.007 550 Q CA -0.861 54.945 55.803 0.005 0.000 0.801 550 Q CB 1.993 30.731 28.738 -0.000 0.000 1.455 550 Q HN 0.816 nan 8.270 nan 0.000 0.398 551 E N 0.823 121.020 120.200 -0.006 0.000 2.331 551 E HA 0.564 4.944 4.350 0.049 0.000 0.275 551 E C -1.748 174.831 176.600 -0.035 0.000 0.895 551 E CA -0.953 55.438 56.400 -0.015 0.000 0.753 551 E CB 2.642 32.333 29.700 -0.015 0.000 1.216 551 E HN 0.466 nan 8.360 nan 0.000 0.434 552 V N 5.119 124.999 119.914 -0.056 0.000 2.407 552 V HA 0.398 4.547 4.120 0.049 0.000 0.291 552 V C -0.264 175.693 176.094 -0.229 0.000 1.018 552 V CA -0.614 61.605 62.300 -0.135 0.000 0.842 552 V CB 1.134 32.886 31.823 -0.118 0.000 0.996 552 V HN 0.583 nan 8.190 nan 0.000 0.426 553 L N 4.463 125.521 121.223 -0.275 0.000 2.334 553 L HA 0.653 5.023 4.340 0.049 0.000 0.272 553 L C -0.737 175.852 176.870 -0.468 0.000 1.020 553 L CA -0.772 53.923 54.840 -0.242 0.000 0.812 553 L CB 1.523 43.519 42.059 -0.105 0.000 1.264 553 L HN 0.651 nan 8.230 nan 0.000 0.439 554 H N 0.832 119.907 119.070 0.008 0.000 2.887 554 H HA 0.565 5.151 4.556 0.049 0.000 0.300 554 H C -1.191 174.142 175.328 0.007 0.000 1.038 554 H CA -0.468 55.585 56.048 0.008 0.000 1.352 554 H CB 1.580 31.346 29.762 0.007 0.000 1.473 554 H HN 0.190 nan 8.280 nan 0.000 0.503 555 V N 3.028 122.992 119.914 0.083 0.000 2.760 555 V HA 0.309 4.458 4.120 0.049 0.000 0.309 555 V C -0.446 175.674 176.094 0.044 0.000 1.077 555 V CA -0.966 61.364 62.300 0.051 0.000 0.910 555 V CB 2.163 33.999 31.823 0.021 0.000 1.008 555 V HN 0.702 nan 8.190 nan 0.000 0.424 556 Q N 2.719 122.541 119.800 0.036 0.000 2.293 556 Q HA 0.543 4.913 4.340 0.049 0.000 0.261 556 Q C -0.158 175.854 176.000 0.020 0.000 0.960 556 Q CA -0.632 55.188 55.803 0.029 0.000 0.882 556 Q CB 2.801 31.555 28.738 0.026 0.000 1.275 556 Q HN 0.666 nan 8.270 nan 0.000 0.445 557 R N 0.000 120.511 120.500 0.018 0.000 2.786 557 R HA 0.000 4.369 4.340 0.049 0.000 0.208 557 R CA 0.000 56.108 56.100 0.014 0.000 0.921 557 R CB 0.000 30.308 30.300 0.014 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535