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 1ai7_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNMWVIGKSK AQDAKAIMVN GPQFGWYAPA YTYGIGLHGA GYDVTGNTPF DATA SEQUENCE AYPGLVFGHN GVISWGSTAG FGDDVDIFAE RLSAEKPGYY LHNGKWVKML DATA SEQUENCE SREETITVKN GQAETFTVWR TVHGNILQTD QTTQTAYAKS RAWDGKEVAS DATA SEQUENCE LLAWTHQMKA KNWQQWTQQA AKQALTINWY YADVNGNIGY VHTGAYPDRQ DATA SEQUENCE SGHDPRLPVP GTGKWDWKGL LPFEMNPKVY NPQSGYIANW NNSPQKDYPA DATA SEQUENCE SDLFAFLWGG ADRVTEIDRL LEQKPRLTAD QAWDVIRQTS RQDLNLRLFL DATA SEQUENCE PTLQAATSGL TQSDPRRQLV ETLTRWDGIN LLNDDGKTWQ QPGSAILNVW DATA SEQUENCE LTSMLKRTVV AAVPMPFDKW YSASGYETTQ DGPTGSLNIS VGAKILYEAV DATA SEQUENCE QGDKSPIPQA VDLFAGKPQQ EVVLAALEDT WETLSKRYGN NVSNWKTPAM DATA SEQUENCE ALTFRANNFF GVPQAAAEET RHQAEYQNRG TENDMIVFSP TTSDRPVLAW DATA SEQUENCE DVVAPGQSGF IAPDGTVDKH YEDQLKMYEN FGRKSLWLTK QDVEAHKESQ DATA SEQUENCE EVLHVQR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.667 174.600 0.111 0.000 1.055 1 S CA 0.000 58.277 58.200 0.129 0.000 1.107 1 S CB 0.000 63.264 63.200 0.108 0.000 0.593 2 N N 0.729 119.285 118.700 -0.240 0.000 2.629 2 N HA 0.909 5.646 4.740 -0.005 0.000 0.279 2 N C -1.072 174.216 175.510 -0.370 0.000 1.344 2 N CA -0.910 51.933 53.050 -0.345 0.000 0.789 2 N CB 0.920 38.842 38.487 -0.943 0.000 1.508 2 N HN 0.535 nan 8.380 nan 0.000 0.516 3 M N -0.454 118.957 119.600 -0.316 0.000 2.333 3 M HA 0.536 5.013 4.480 -0.005 0.000 0.286 3 M C -2.557 173.662 176.300 -0.134 0.000 1.113 3 M CA -0.439 54.574 55.300 -0.479 0.000 0.959 3 M CB 1.331 33.486 32.600 -0.743 0.000 1.776 3 M HN 0.786 nan 8.290 nan 0.000 0.492 4 W N 3.977 125.135 121.300 -0.236 0.000 2.839 4 W HA 0.845 5.502 4.660 -0.005 0.000 0.334 4 W C -1.948 174.531 176.519 -0.067 0.000 1.064 4 W CA -1.259 56.007 57.345 -0.131 0.000 1.236 4 W CB 0.768 30.144 29.460 -0.140 0.000 1.405 4 W HN 0.501 nan 8.180 nan 0.000 0.478 5 V N 4.673 124.706 119.914 0.199 0.000 2.487 5 V HA 0.470 4.587 4.120 -0.005 0.000 0.298 5 V C -0.360 175.864 176.094 0.217 0.000 1.028 5 V CA -1.050 61.349 62.300 0.165 0.000 0.860 5 V CB 1.456 33.394 31.823 0.191 0.000 0.991 5 V HN 0.601 nan 8.190 nan 0.000 0.427 6 I N 3.937 124.613 120.570 0.176 0.000 2.355 6 I HA 0.623 4.790 4.170 -0.005 0.000 0.288 6 I C 0.979 177.164 176.117 0.113 0.000 0.999 6 I CA 0.067 61.462 61.300 0.158 0.000 1.163 6 I CB 1.660 39.738 38.000 0.130 0.000 1.316 6 I HN 0.744 nan 8.210 nan 0.000 0.454 7 G N 4.107 112.964 108.800 0.094 0.000 2.543 7 G HA2 0.233 4.190 3.960 -0.005 0.000 0.290 7 G HA3 0.233 4.190 3.960 -0.005 0.000 0.290 7 G C 0.649 175.570 174.900 0.035 0.000 1.310 7 G CA -0.443 44.684 45.100 0.046 0.000 1.025 7 G HN 0.628 nan 8.290 nan 0.000 0.502 8 K N -0.754 119.653 120.400 0.010 0.000 2.077 8 K HA -0.214 4.103 4.320 -0.005 0.000 0.213 8 K C 2.801 179.407 176.600 0.011 0.000 1.051 8 K CA 2.273 58.565 56.287 0.008 0.000 0.929 8 K CB -0.188 32.305 32.500 -0.012 0.000 0.715 8 K HN 0.485 nan 8.250 nan 0.000 0.451 9 S N -0.098 115.606 115.700 0.006 0.000 2.522 9 S HA 0.016 4.483 4.470 -0.005 0.000 0.227 9 S C 1.513 176.126 174.600 0.021 0.000 0.986 9 S CA 0.615 58.820 58.200 0.008 0.000 0.929 9 S CB 0.243 63.443 63.200 0.000 0.000 0.769 9 S HN 0.178 nan 8.310 nan 0.000 0.529 10 K N 0.574 120.995 120.400 0.035 0.000 2.380 10 K HA 0.423 4.739 4.320 -0.005 0.000 0.198 10 K C 0.391 177.007 176.600 0.026 0.000 1.070 10 K CA 0.227 56.536 56.287 0.037 0.000 1.040 10 K CB 0.890 33.433 32.500 0.072 0.000 0.903 10 K HN 0.426 nan 8.250 nan 0.000 0.549 11 A N 1.574 124.414 122.820 0.032 0.000 2.316 11 A HA 0.276 4.593 4.320 -0.005 0.000 0.284 11 A C -0.472 177.125 177.584 0.022 0.000 1.115 11 A CA -0.110 51.947 52.037 0.033 0.000 0.812 11 A CB 0.813 19.841 19.000 0.048 0.000 1.064 11 A HN 0.100 nan 8.150 nan 0.000 0.489 12 Q N 1.154 120.964 119.800 0.017 0.000 2.333 12 Q HA 0.458 4.794 4.340 -0.005 0.000 0.268 12 Q C -0.970 175.040 176.000 0.017 0.000 1.007 12 Q CA 0.050 55.859 55.803 0.011 0.000 0.810 12 Q CB 0.900 29.637 28.738 -0.001 0.000 1.264 12 Q HN 0.710 nan 8.270 nan 0.000 0.452 13 D N 1.625 122.036 120.400 0.019 0.000 3.017 13 D HA -0.168 4.469 4.640 -0.005 0.000 0.220 13 D C -1.023 175.298 176.300 0.036 0.000 1.141 13 D CA 1.415 55.429 54.000 0.024 0.000 0.848 13 D CB -1.377 39.435 40.800 0.019 0.000 1.102 13 D HN 0.708 nan 8.370 nan 0.000 0.427 14 A N -1.155 121.690 122.820 0.041 0.000 2.544 14 A HA 0.539 4.856 4.320 -0.005 0.000 0.291 14 A C 0.333 177.954 177.584 0.061 0.000 1.055 14 A CA -0.619 51.452 52.037 0.058 0.000 0.651 14 A CB 1.042 20.081 19.000 0.065 0.000 1.296 14 A HN -0.131 nan 8.150 nan 0.000 0.431 15 K N -0.272 120.177 120.400 0.081 0.000 2.308 15 K HA 0.474 4.791 4.320 -0.005 0.000 0.197 15 K C 0.529 177.178 176.600 0.080 0.000 1.049 15 K CA 1.266 57.593 56.287 0.067 0.000 0.991 15 K CB 0.831 33.366 32.500 0.058 0.000 0.836 15 K HN 1.051 nan 8.250 nan 0.000 0.500 16 A N 1.266 124.165 122.820 0.132 0.000 2.547 16 A HA 0.693 5.009 4.320 -0.005 0.000 0.297 16 A C -1.413 176.261 177.584 0.150 0.000 1.056 16 A CA -0.698 51.428 52.037 0.149 0.000 0.688 16 A CB 1.278 20.385 19.000 0.178 0.000 1.282 16 A HN 0.107 nan 8.150 nan 0.000 0.400 17 I N 2.011 122.650 120.570 0.115 0.000 2.534 17 I HA 0.481 4.648 4.170 -0.005 0.000 0.288 17 I C -0.430 175.723 176.117 0.060 0.000 1.077 17 I CA -0.168 61.178 61.300 0.077 0.000 1.051 17 I CB 2.168 40.218 38.000 0.083 0.000 1.234 17 I HN 0.799 nan 8.210 nan 0.000 0.425 18 M N 7.668 127.269 119.600 0.001 0.000 2.243 18 M HA 0.704 5.181 4.480 -0.005 0.000 0.324 18 M C -2.004 174.197 176.300 -0.165 0.000 1.031 18 M CA -0.505 54.761 55.300 -0.057 0.000 0.949 18 M CB 1.655 34.245 32.600 -0.016 0.000 1.615 18 M HN 0.350 nan 8.290 nan 0.000 0.430 19 V N 5.024 124.700 119.914 -0.397 0.000 2.444 19 V HA 0.487 4.604 4.120 -0.005 0.000 0.294 19 V C -0.837 174.755 176.094 -0.837 0.000 1.022 19 V CA -0.675 61.246 62.300 -0.633 0.000 0.850 19 V CB 1.763 33.001 31.823 -0.974 0.000 0.992 19 V HN 0.982 nan 8.190 nan 0.000 0.426 20 N N 2.577 120.932 118.700 -0.575 0.000 2.258 20 N HA 0.718 5.454 4.740 -0.005 0.000 0.299 20 N C -0.239 174.957 175.510 -0.524 0.000 1.047 20 N CA -0.426 52.318 53.050 -0.509 0.000 0.814 20 N CB 2.036 40.382 38.487 -0.236 0.000 1.413 20 N HN 0.891 nan 8.380 nan 0.000 0.478 21 G N 3.184 111.677 108.800 -0.512 0.000 3.712 21 G HA2 0.286 4.242 3.960 -0.005 0.000 0.327 21 G HA3 0.286 4.242 3.960 -0.005 0.000 0.327 21 G C -2.847 171.828 174.900 -0.376 0.000 1.566 21 G CA -0.912 43.931 45.100 -0.429 0.000 0.953 21 G HN 0.390 nan 8.290 nan 0.000 0.488 22 P HA 0.083 nan 4.420 nan 0.000 0.267 22 P C -0.549 176.313 177.300 -0.729 0.000 1.205 22 P CA 0.306 63.067 63.100 -0.565 0.000 0.765 22 P CB 1.380 32.732 31.700 -0.580 0.000 0.828 23 Q N 2.486 121.876 119.800 -0.683 0.000 2.425 23 Q HA 0.305 4.642 4.340 -0.005 0.000 0.254 23 Q C -0.462 175.176 176.000 -0.603 0.000 1.032 23 Q CA -0.314 55.171 55.803 -0.531 0.000 0.798 23 Q CB 0.658 29.288 28.738 -0.180 0.000 1.210 23 Q HN 0.446 nan 8.270 nan 0.000 0.491 24 F N 0.435 120.082 119.950 -0.505 0.000 2.682 24 F HA 0.346 4.870 4.527 -0.005 0.000 0.308 24 F C 1.162 176.690 175.800 -0.453 0.000 1.093 24 F CA 0.227 57.883 58.000 -0.573 0.000 1.244 24 F CB 1.027 39.325 39.000 -1.170 0.000 1.052 24 F HN 0.700 nan 8.300 nan 0.000 0.573 25 G N -0.398 108.092 108.800 -0.516 0.000 2.655 25 G HA2 -0.167 3.790 3.960 -0.005 0.000 0.680 25 G HA3 -0.167 3.790 3.960 -0.005 0.000 0.680 25 G C -1.222 173.122 174.900 -0.926 0.000 1.302 25 G CA -1.130 43.641 45.100 -0.549 0.000 0.872 25 G HN 0.081 nan 8.290 nan 0.000 0.540 26 W N -0.138 120.744 121.300 -0.697 0.000 2.683 26 W HA 0.653 5.309 4.660 -0.005 0.000 0.329 26 W C -0.962 175.059 176.519 -0.829 0.000 1.037 26 W CA -0.687 56.244 57.345 -0.690 0.000 1.232 26 W CB 1.897 30.797 29.460 -0.933 0.000 1.390 26 W HN 0.558 nan 8.180 nan 0.000 0.465 27 Y N 0.650 121.135 120.300 0.310 0.000 2.605 27 Y HA 0.680 5.227 4.550 -0.005 0.000 0.343 27 Y C -0.132 175.928 175.900 0.267 0.000 1.036 27 Y CA -1.392 56.873 58.100 0.274 0.000 1.065 27 Y CB 1.911 40.502 38.460 0.218 0.000 1.288 27 Y HN 0.359 nan 8.280 nan 0.000 0.481 28 A N 2.557 125.569 122.820 0.321 0.000 2.375 28 A HA 0.743 5.060 4.320 -0.005 0.000 0.295 28 A C -3.024 174.626 177.584 0.109 0.000 1.066 28 A CA -1.867 50.243 52.037 0.121 0.000 0.722 28 A CB 1.034 20.064 19.000 0.051 0.000 1.206 28 A HN 0.350 nan 8.150 nan 0.000 0.435 29 P HA 0.382 nan 4.420 nan 0.000 0.274 29 P C 0.335 177.657 177.300 0.037 0.000 1.256 29 P CA -0.094 62.998 63.100 -0.015 0.000 0.795 29 P CB 0.595 32.290 31.700 -0.008 0.000 1.038 30 A N 0.644 123.469 122.820 0.008 0.000 2.587 30 A HA -0.122 4.195 4.320 -0.005 0.000 0.233 30 A C 0.981 178.564 177.584 -0.001 0.000 1.049 30 A CA 0.216 52.285 52.037 0.052 0.000 0.754 30 A CB -0.920 18.084 19.000 0.008 0.000 0.977 30 A HN 0.691 nan 8.150 nan 0.000 0.509 31 Y N 2.187 122.440 120.300 -0.079 0.000 2.263 31 Y HA -0.019 4.528 4.550 -0.005 0.000 0.292 31 Y C 1.756 177.431 175.900 -0.375 0.000 1.130 31 Y CA 2.042 59.967 58.100 -0.292 0.000 1.179 31 Y CB 0.036 38.395 38.460 -0.169 0.000 0.998 31 Y HN 0.785 nan 8.280 nan 0.000 0.532 32 T N -2.486 112.057 114.554 -0.018 0.000 2.952 32 T HA 0.310 4.656 4.350 -0.005 0.000 0.286 32 T C -1.521 173.185 174.700 0.009 0.000 1.024 32 T CA -0.593 61.488 62.100 -0.031 0.000 1.029 32 T CB 1.749 70.698 68.868 0.135 0.000 1.094 32 T HN 0.126 nan 8.240 nan 0.000 0.515 33 Y N 0.253 120.488 120.300 -0.109 0.000 2.326 33 Y HA 0.568 5.114 4.550 -0.006 0.000 0.329 33 Y C 0.223 176.098 175.900 -0.043 0.000 0.973 33 Y CA -0.714 57.334 58.100 -0.087 0.000 1.162 33 Y CB 1.189 39.574 38.460 -0.124 0.000 1.147 33 Y HN 1.128 nan 8.280 nan 0.000 0.456 34 G N 5.542 114.027 108.800 -0.524 0.000 2.403 34 G HA2 0.466 4.423 3.960 -0.005 0.000 0.259 34 G HA3 0.466 4.423 3.960 -0.005 0.000 0.259 34 G C -1.501 173.189 174.900 -0.350 0.000 1.244 34 G CA -0.206 44.698 45.100 -0.327 0.000 0.849 34 G HN 0.725 nan 8.290 nan 0.000 0.532 35 I N 0.878 121.384 120.570 -0.106 0.000 2.753 35 I HA 0.637 4.804 4.170 -0.005 0.000 0.291 35 I C -0.195 175.914 176.117 -0.013 0.000 1.425 35 I CA -0.376 60.918 61.300 -0.011 0.000 1.039 35 I CB 2.067 40.142 38.000 0.125 0.000 1.349 35 I HN 0.738 nan 8.210 nan 0.000 0.430 36 G N 7.227 116.022 108.800 -0.009 0.000 2.461 36 G HA2 0.702 4.659 3.960 -0.005 0.000 0.323 36 G HA3 0.702 4.659 3.960 -0.005 0.000 0.323 36 G C -1.699 173.056 174.900 -0.242 0.000 1.229 36 G CA -0.621 44.436 45.100 -0.072 0.000 0.941 36 G HN 0.594 nan 8.290 nan 0.000 0.477 37 L N 3.083 123.994 121.223 -0.520 0.000 2.349 37 L HA 0.455 4.792 4.340 -0.005 0.000 0.278 37 L C -0.834 175.646 176.870 -0.649 0.000 0.996 37 L CA -0.915 53.668 54.840 -0.428 0.000 0.825 37 L CB 1.939 43.860 42.059 -0.230 0.000 1.243 37 L HN 0.500 nan 8.230 nan 0.000 0.412 38 H N 3.034 122.153 119.070 0.082 0.000 2.887 38 H HA 0.687 5.240 4.556 -0.006 0.000 0.300 38 H C 0.058 175.446 175.328 0.100 0.000 1.038 38 H CA -0.559 55.547 56.048 0.096 0.000 1.352 38 H CB 2.027 31.829 29.762 0.066 0.000 1.473 38 H HN 0.830 nan 8.280 nan 0.000 0.503 39 G N 0.390 109.314 108.800 0.208 0.000 2.333 39 G HA2 0.361 4.318 3.960 -0.005 0.000 0.330 39 G HA3 0.361 4.318 3.960 -0.005 0.000 0.330 39 G C -0.204 174.821 174.900 0.208 0.000 1.465 39 G CA -0.285 44.917 45.100 0.170 0.000 0.996 39 G HN 0.895 nan 8.290 nan 0.000 0.655 40 A N -1.162 121.745 122.820 0.144 0.000 2.832 40 A HA 0.382 4.699 4.320 -0.005 0.000 0.280 40 A C 2.464 180.072 177.584 0.041 0.000 1.464 40 A CA 2.172 54.285 52.037 0.126 0.000 0.804 40 A CB -1.537 17.583 19.000 0.199 0.000 1.020 40 A HN 3.270 nan 8.150 nan 0.000 0.563 41 G N -3.753 105.039 108.800 -0.012 0.000 2.234 41 G HA2 -0.250 3.707 3.960 -0.005 0.000 0.235 41 G HA3 -0.250 3.707 3.960 -0.005 0.000 0.235 41 G C 0.020 174.790 174.900 -0.216 0.000 0.997 41 G CA 0.588 45.595 45.100 -0.155 0.000 0.623 41 G HN 1.470 nan 8.290 nan 0.000 0.514 42 Y N 0.916 121.251 120.300 0.058 0.000 2.308 42 Y HA 0.615 5.161 4.550 -0.007 0.000 0.329 42 Y C 0.156 176.089 175.900 0.056 0.000 1.111 42 Y CA -0.693 57.440 58.100 0.054 0.000 1.179 42 Y CB 1.718 40.195 38.460 0.029 0.000 1.201 42 Y HN 0.051 nan 8.280 nan 0.000 0.483 43 D N 2.387 122.925 120.400 0.230 0.000 2.586 43 D HA 0.332 4.968 4.640 -0.005 0.000 0.254 43 D C -1.585 174.790 176.300 0.125 0.000 1.248 43 D CA -0.137 53.976 54.000 0.189 0.000 0.843 43 D CB 0.336 41.266 40.800 0.217 0.000 1.332 43 D HN 0.314 nan 8.370 nan 0.000 0.523 44 V N -0.873 119.035 119.914 -0.011 0.000 3.001 44 V HA 0.945 5.061 4.120 -0.005 0.000 0.314 44 V C -0.387 175.633 176.094 -0.122 0.000 1.099 44 V CA -0.504 61.798 62.300 0.003 0.000 0.989 44 V CB 2.067 34.002 31.823 0.186 0.000 1.040 44 V HN 0.186 nan 8.190 nan 0.000 0.434 45 T N 1.026 115.472 114.554 -0.179 0.000 2.933 45 T HA 0.893 5.240 4.350 -0.005 0.000 0.305 45 T C -0.152 174.473 174.700 -0.127 0.000 1.092 45 T CA 0.572 62.587 62.100 -0.142 0.000 1.008 45 T CB 1.138 69.924 68.868 -0.135 0.000 1.102 45 T HN 2.157 nan 8.240 nan 0.000 0.469 46 G N 3.204 111.973 108.800 -0.052 0.000 2.404 46 G HA2 0.422 4.379 3.960 -0.005 0.000 0.253 46 G HA3 0.422 4.379 3.960 -0.005 0.000 0.253 46 G C -1.863 173.058 174.900 0.036 0.000 1.253 46 G CA -0.080 45.017 45.100 -0.005 0.000 0.917 46 G HN 1.244 nan 8.290 nan 0.000 0.480 47 N N -1.837 116.939 118.700 0.127 0.000 2.710 47 N HA 0.721 5.457 4.740 -0.005 0.000 0.257 47 N C -1.125 174.529 175.510 0.240 0.000 1.327 47 N CA 0.023 53.152 53.050 0.132 0.000 0.861 47 N CB 2.330 40.871 38.487 0.091 0.000 1.532 47 N HN 0.810 nan 8.380 nan 0.000 0.499 48 T N -0.228 114.419 114.554 0.155 0.000 2.942 48 T HA 0.533 4.880 4.350 -0.005 0.000 0.327 48 T C -3.130 171.484 174.700 -0.142 0.000 1.360 48 T CA -1.203 60.919 62.100 0.036 0.000 1.055 48 T CB 1.373 70.212 68.868 -0.048 0.000 1.261 48 T HN 0.460 nan 8.240 nan 0.000 0.485 49 P HA 0.306 nan 4.420 nan 0.000 0.268 49 P C 0.047 176.807 177.300 -0.901 0.000 1.204 49 P CA 0.263 62.986 63.100 -0.629 0.000 0.768 49 P CB -0.299 31.047 31.700 -0.591 0.000 0.842 50 F N 1.030 120.519 119.950 -0.768 0.000 3.097 50 F HA -0.277 4.246 4.527 -0.006 0.000 0.278 50 F C 1.294 176.802 175.800 -0.487 0.000 0.917 50 F CA 0.882 58.528 58.000 -0.590 0.000 0.962 50 F CB -2.520 36.161 39.000 -0.531 0.000 0.964 50 F HN 0.560 nan 8.300 nan 0.000 0.668 51 A N -2.293 120.352 122.820 -0.290 0.000 2.704 51 A HA -0.262 4.054 4.320 -0.005 0.000 0.299 51 A C 0.589 178.100 177.584 -0.122 0.000 1.507 51 A CA 0.940 52.845 52.037 -0.219 0.000 0.776 51 A CB -2.254 16.458 19.000 -0.479 0.000 1.027 51 A HN 0.520 nan 8.150 nan 0.000 0.475 52 Y N -1.510 118.739 120.300 -0.084 0.000 2.757 52 Y HA 0.149 4.695 4.550 -0.006 0.000 0.344 52 Y C -0.316 175.516 175.900 -0.114 0.000 1.263 52 Y CA -0.653 57.374 58.100 -0.121 0.000 1.493 52 Y CB -0.536 37.811 38.460 -0.189 0.000 1.342 52 Y HN 0.203 nan 8.280 nan 0.000 0.627 53 P HA -0.101 nan 4.420 nan 0.000 0.215 53 P C 0.409 177.683 177.300 -0.044 0.000 1.157 53 P CA 1.806 64.887 63.100 -0.033 0.000 0.874 53 P CB 0.107 31.769 31.700 -0.062 0.000 0.790 54 G N -0.306 108.486 108.800 -0.013 0.000 2.377 54 G HA2 0.430 4.387 3.960 -0.005 0.000 0.299 54 G HA3 0.430 4.387 3.960 -0.005 0.000 0.299 54 G C -0.942 173.965 174.900 0.012 0.000 1.150 54 G CA -0.304 44.796 45.100 -0.001 0.000 0.847 54 G HN -0.052 nan 8.290 nan 0.000 0.501 55 L N 2.554 123.827 121.223 0.084 0.000 2.315 55 L HA 0.148 4.484 4.340 -0.005 0.000 0.283 55 L C 1.469 178.447 176.870 0.180 0.000 1.089 55 L CA 0.088 55.019 54.840 0.151 0.000 0.833 55 L CB 1.572 43.824 42.059 0.323 0.000 1.170 55 L HN 0.340 nan 8.230 nan 0.000 0.442 56 V N 3.451 123.259 119.914 -0.177 0.000 2.667 56 V HA -0.055 4.062 4.120 -0.005 0.000 0.252 56 V C 0.116 175.951 176.094 -0.431 0.000 1.065 56 V CA 1.087 63.129 62.300 -0.430 0.000 1.083 56 V CB -0.663 30.617 31.823 -0.906 0.000 0.692 56 V HN 0.464 nan 8.190 nan 0.000 0.468 57 F N -0.398 119.731 119.950 0.297 0.000 2.499 57 F HA 0.800 5.324 4.527 -0.005 0.000 0.333 57 F C 0.463 176.189 175.800 -0.123 0.000 1.138 57 F CA -0.350 57.703 58.000 0.087 0.000 0.945 57 F CB 1.608 40.648 39.000 0.067 0.000 1.181 57 F HN 0.043 nan 8.300 nan 0.000 0.435 58 G N 1.701 110.221 108.800 -0.466 0.000 2.323 58 G HA2 0.479 4.436 3.960 -0.005 0.000 0.291 58 G HA3 0.479 4.436 3.960 -0.005 0.000 0.291 58 G C -2.178 172.009 174.900 -1.188 0.000 1.278 58 G CA -0.645 44.123 45.100 -0.554 0.000 0.860 58 G HN 1.063 nan 8.290 nan 0.000 0.504 59 H N -2.047 116.486 119.070 -0.895 0.000 2.981 59 H HA 0.702 5.255 4.556 -0.005 0.000 0.327 59 H C -0.255 175.003 175.328 -0.116 0.000 1.342 59 H CA -0.346 55.255 56.048 -0.745 0.000 1.123 59 H CB 1.472 31.002 29.762 -0.387 0.000 1.851 59 H HN 0.623 nan 8.280 nan 0.000 0.531 60 N N 0.099 118.894 118.700 0.158 0.000 2.351 60 N HA 0.248 4.984 4.740 -0.005 0.000 0.254 60 N C 1.067 176.729 175.510 0.254 0.000 1.241 60 N CA -0.023 53.150 53.050 0.205 0.000 0.883 60 N CB 0.865 39.602 38.487 0.416 0.000 1.202 60 N HN 1.266 nan 8.380 nan 0.000 0.512 61 G N -0.979 108.082 108.800 0.436 0.000 2.284 61 G HA2 -0.339 3.617 3.960 -0.005 0.000 0.247 61 G HA3 -0.339 3.617 3.960 -0.005 0.000 0.247 61 G C 0.567 175.720 174.900 0.422 0.000 1.012 61 G CA 0.601 45.953 45.100 0.420 0.000 0.618 61 G HN 0.295 nan 8.290 nan 0.000 0.521 62 V N 0.906 121.036 119.914 0.360 0.000 2.996 62 V HA 0.462 4.579 4.120 -0.005 0.000 0.235 62 V C 1.249 177.318 176.094 -0.042 0.000 1.205 62 V CA 1.480 63.884 62.300 0.173 0.000 1.225 62 V CB 0.185 32.091 31.823 0.137 0.000 0.995 62 V HN 0.795 nan 8.190 nan 0.000 0.484 63 I N -0.681 119.977 120.570 0.146 0.000 2.910 63 I HA 0.854 5.021 4.170 -0.005 0.000 0.310 63 I C -0.362 175.958 176.117 0.339 0.000 1.043 63 I CA -0.400 60.898 61.300 -0.002 0.000 1.053 63 I CB 2.341 40.302 38.000 -0.065 0.000 1.242 63 I HN 0.173 nan 8.210 nan 0.000 0.452 64 S N 2.107 117.917 115.700 0.184 0.000 2.599 64 S HA 0.823 5.289 4.470 -0.005 0.000 0.287 64 S C -1.315 173.341 174.600 0.094 0.000 1.105 64 S CA -0.658 57.565 58.200 0.038 0.000 0.899 64 S CB 1.229 64.421 63.200 -0.014 0.000 1.100 64 S HN 0.988 nan 8.310 nan 0.000 0.482 65 W N -0.129 121.233 121.300 0.103 0.000 3.032 65 W HA 0.935 5.592 4.660 -0.006 0.000 0.341 65 W C -0.278 176.381 176.519 0.233 0.000 1.202 65 W CA -0.824 56.610 57.345 0.149 0.000 1.132 65 W CB 0.932 30.507 29.460 0.192 0.000 1.465 65 W HN 1.103 nan 8.180 nan 0.000 0.576 66 G N 0.037 109.175 108.800 0.562 0.000 2.523 66 G HA2 0.541 4.498 3.960 -0.005 0.000 0.291 66 G HA3 0.541 4.498 3.960 -0.005 0.000 0.291 66 G C -1.966 173.367 174.900 0.721 0.000 1.450 66 G CA -0.844 44.595 45.100 0.565 0.000 0.790 66 G HN 0.637 nan 8.290 nan 0.000 0.496 67 S N -1.294 114.855 115.700 0.748 0.000 2.588 67 S HA 0.913 5.380 4.470 -0.005 0.000 0.275 67 S C -0.555 174.475 174.600 0.716 0.000 1.130 67 S CA -0.029 58.652 58.200 0.803 0.000 0.855 67 S CB 2.068 65.704 63.200 0.727 0.000 1.116 67 S HN 1.590 nan 8.310 nan 0.000 0.472 68 T N -0.765 114.216 114.554 0.712 0.000 2.916 68 T HA 0.787 5.134 4.350 -0.005 0.000 0.305 68 T C -0.405 174.577 174.700 0.470 0.000 1.119 68 T CA -0.698 61.711 62.100 0.515 0.000 1.008 68 T CB 1.347 70.508 68.868 0.488 0.000 1.129 68 T HN 0.841 nan 8.240 nan 0.000 0.480 69 A N 1.259 124.293 122.820 0.357 0.000 2.546 69 A HA 0.543 4.860 4.320 -0.005 0.000 0.243 69 A C 1.477 179.230 177.584 0.281 0.000 1.063 69 A CA 0.228 52.379 52.037 0.190 0.000 0.757 69 A CB -0.423 18.597 19.000 0.034 0.000 0.991 69 A HN 1.356 nan 8.150 nan 0.000 0.503 70 G N 0.529 109.438 108.800 0.182 0.000 2.459 70 G HA2 0.265 4.222 3.960 -0.005 0.000 0.213 70 G HA3 0.265 4.222 3.960 -0.005 0.000 0.213 70 G C 0.364 175.665 174.900 0.669 0.000 1.155 70 G CA 0.456 45.840 45.100 0.474 0.000 0.811 70 G HN 0.910 nan 8.290 nan 0.000 0.534 71 F N -0.090 120.066 119.950 0.344 0.000 3.080 71 F HA -0.157 4.367 4.527 -0.005 0.000 0.292 71 F C 1.432 177.371 175.800 0.230 0.000 0.891 71 F CA -0.141 57.905 58.000 0.076 0.000 1.086 71 F CB -1.577 37.197 39.000 -0.377 0.000 1.095 71 F HN 0.338 nan 8.300 nan 0.000 0.633 72 G N -0.197 108.950 108.800 0.578 0.000 2.580 72 G HA2 0.409 4.366 3.960 -0.005 0.000 0.278 72 G HA3 0.409 4.366 3.960 -0.005 0.000 0.278 72 G C -0.799 174.307 174.900 0.343 0.000 1.212 72 G CA -0.211 45.248 45.100 0.598 0.000 0.939 72 G HN 0.177 nan 8.290 nan 0.000 0.513 73 D N -0.254 120.278 120.400 0.219 0.000 2.428 73 D HA 0.219 4.856 4.640 -0.005 0.000 0.221 73 D C -0.071 176.369 176.300 0.234 0.000 1.123 73 D CA -0.669 53.421 54.000 0.151 0.000 0.869 73 D CB 1.074 41.894 40.800 0.033 0.000 1.032 73 D HN 0.302 nan 8.370 nan 0.000 0.506 74 D N 1.932 122.476 120.400 0.239 0.000 2.513 74 D HA 0.089 4.725 4.640 -0.005 0.000 0.222 74 D C -0.354 176.049 176.300 0.170 0.000 1.210 74 D CA -0.236 53.867 54.000 0.172 0.000 0.825 74 D CB 0.119 40.996 40.800 0.128 0.000 1.037 74 D HN 0.063 nan 8.370 nan 0.000 0.506 75 V N 0.828 120.864 119.914 0.204 0.000 2.588 75 V HA 0.475 4.592 4.120 -0.005 0.000 0.304 75 V C -0.998 175.250 176.094 0.257 0.000 1.042 75 V CA -0.707 61.730 62.300 0.230 0.000 0.877 75 V CB 2.155 34.076 31.823 0.165 0.000 0.996 75 V HN 0.002 nan 8.190 nan 0.000 0.425 76 D N 3.487 124.097 120.400 0.351 0.000 2.547 76 D HA 0.583 5.220 4.640 -0.005 0.000 0.231 76 D C -1.012 175.366 176.300 0.130 0.000 1.099 76 D CA -0.399 53.750 54.000 0.247 0.000 0.901 76 D CB 2.674 43.678 40.800 0.340 0.000 1.478 76 D HN 0.170 nan 8.370 nan 0.000 0.471 77 I N 1.089 121.654 120.570 -0.008 0.000 2.404 77 I HA 0.357 4.523 4.170 -0.005 0.000 0.293 77 I C -0.586 175.453 176.117 -0.130 0.000 0.992 77 I CA -0.534 60.782 61.300 0.026 0.000 1.149 77 I CB 0.674 38.698 38.000 0.040 0.000 1.315 77 I HN 0.187 nan 8.210 nan 0.000 0.446 78 F N 4.046 123.939 119.950 -0.094 0.000 2.411 78 F HA 0.549 5.073 4.527 -0.005 0.000 0.352 78 F C 0.726 176.437 175.800 -0.149 0.000 1.123 78 F CA -0.723 57.131 58.000 -0.243 0.000 1.044 78 F CB 1.644 40.237 39.000 -0.678 0.000 1.135 78 F HN 0.508 nan 8.300 nan 0.000 0.461 79 A N 4.078 126.879 122.820 -0.032 0.000 2.343 79 A HA 0.405 4.721 4.320 -0.005 0.000 0.305 79 A C -0.054 177.451 177.584 -0.130 0.000 1.308 79 A CA -0.614 51.310 52.037 -0.188 0.000 0.949 79 A CB -0.209 18.692 19.000 -0.165 0.000 1.148 79 A HN 0.590 nan 8.150 nan 0.000 0.545 80 E N 1.689 121.798 120.200 -0.153 0.000 2.249 80 E HA 0.173 4.519 4.350 -0.005 0.000 0.280 80 E C -0.160 176.429 176.600 -0.017 0.000 1.016 80 E CA -0.524 55.849 56.400 -0.044 0.000 0.830 80 E CB 1.444 31.095 29.700 -0.082 0.000 1.081 80 E HN 0.613 nan 8.360 nan 0.000 0.395 81 R N 3.612 124.153 120.500 0.068 0.000 2.248 81 R HA 0.207 4.543 4.340 -0.005 0.000 0.337 81 R C -0.185 176.254 176.300 0.232 0.000 1.085 81 R CA -0.062 56.095 56.100 0.096 0.000 0.934 81 R CB -0.170 30.160 30.300 0.050 0.000 1.034 81 R HN 0.406 nan 8.270 nan 0.000 0.465 82 L N 1.539 122.894 121.223 0.219 0.000 2.472 82 L HA 0.488 4.825 4.340 -0.005 0.000 0.256 82 L C 0.280 177.345 176.870 0.325 0.000 1.111 82 L CA -0.868 54.147 54.840 0.291 0.000 0.800 82 L CB 1.383 43.504 42.059 0.102 0.000 1.286 82 L HN 0.515 nan 8.230 nan 0.000 0.479 83 S N -1.323 114.457 115.700 0.133 0.000 2.614 83 S HA 0.538 5.005 4.470 -0.005 0.000 0.288 83 S C 0.471 175.002 174.600 -0.115 0.000 1.137 83 S CA -0.104 58.035 58.200 -0.102 0.000 0.992 83 S CB 1.761 64.556 63.200 -0.675 0.000 1.026 83 S HN 0.668 nan 8.310 nan 0.000 0.486 84 A N 3.947 126.716 122.820 -0.085 0.000 1.940 84 A HA -0.002 4.315 4.320 -0.005 0.000 0.219 84 A C 0.541 178.063 177.584 -0.103 0.000 1.176 84 A CA 1.304 53.297 52.037 -0.073 0.000 0.631 84 A CB -0.566 18.404 19.000 -0.050 0.000 0.814 84 A HN 0.860 nan 8.150 nan 0.000 0.446 85 E N -0.566 119.539 120.200 -0.158 0.000 2.204 85 E HA 0.479 4.826 4.350 -0.005 0.000 0.276 85 E C -0.347 176.090 176.600 -0.271 0.000 0.974 85 E CA -0.488 55.805 56.400 -0.179 0.000 0.815 85 E CB 0.874 30.465 29.700 -0.181 0.000 1.119 85 E HN 0.383 nan 8.360 nan 0.000 0.393 86 K N 0.169 120.425 120.400 -0.240 0.000 3.244 86 K HA -0.091 4.226 4.320 -0.005 0.000 0.269 86 K C -2.645 173.880 176.600 -0.125 0.000 1.150 86 K CA -0.064 56.032 56.287 -0.319 0.000 0.799 86 K CB -1.723 30.407 32.500 -0.616 0.000 1.286 86 K HN 0.419 nan 8.250 nan 0.000 0.488 87 P HA 0.270 nan 4.420 nan 0.000 0.279 87 P C 0.962 178.354 177.300 0.154 0.000 1.239 87 P CA 1.347 64.468 63.100 0.034 0.000 0.789 87 P CB 1.396 33.085 31.700 -0.019 0.000 0.933 88 G N 0.296 109.113 108.800 0.030 0.000 2.159 88 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.227 88 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.227 88 G C -0.551 174.378 174.900 0.048 0.000 0.986 88 G CA -0.253 44.848 45.100 0.001 0.000 0.651 88 G HN 0.473 nan 8.290 nan 0.000 0.523 89 Y N -0.576 119.812 120.300 0.146 0.000 2.602 89 Y HA 0.745 5.292 4.550 -0.005 0.000 0.342 89 Y C 0.109 176.279 175.900 0.450 0.000 1.029 89 Y CA -1.153 57.103 58.100 0.261 0.000 1.080 89 Y CB 1.786 40.378 38.460 0.220 0.000 1.284 89 Y HN 0.498 nan 8.280 nan 0.000 0.485 90 Y N -0.621 119.966 120.300 0.479 0.000 2.581 90 Y HA 0.619 5.166 4.550 -0.006 0.000 0.337 90 Y C -2.030 173.919 175.900 0.082 0.000 1.108 90 Y CA -1.698 56.594 58.100 0.320 0.000 1.033 90 Y CB 0.521 39.059 38.460 0.130 0.000 1.318 90 Y HN 0.451 nan 8.280 nan 0.000 0.459 91 L N 4.677 125.721 121.223 -0.299 0.000 2.418 91 L HA 0.338 4.675 4.340 -0.005 0.000 0.274 91 L C -0.583 176.200 176.870 -0.145 0.000 1.135 91 L CA 0.540 54.991 54.840 -0.648 0.000 0.870 91 L CB -0.374 41.187 42.059 -0.829 0.000 1.154 91 L HN 0.899 nan 8.230 nan 0.000 0.462 92 H N 5.272 124.155 119.070 -0.312 0.000 3.017 92 H HA 0.206 4.758 4.556 -0.005 0.000 0.340 92 H C -0.176 175.063 175.328 -0.148 0.000 1.014 92 H CA -0.508 55.463 56.048 -0.128 0.000 1.341 92 H CB 0.755 30.480 29.762 -0.062 0.000 1.739 92 H HN 0.789 nan 8.280 nan 0.000 0.506 93 N N 3.261 121.691 118.700 -0.450 0.000 2.705 93 N HA -0.235 4.502 4.740 -0.005 0.000 0.255 93 N C 0.835 176.200 175.510 -0.242 0.000 1.008 93 N CA 0.752 53.575 53.050 -0.377 0.000 0.742 93 N CB -0.732 37.453 38.487 -0.503 0.000 0.906 93 N HN 1.032 nan 8.380 nan 0.000 0.541 94 G N -0.551 108.117 108.800 -0.220 0.000 2.153 94 G HA2 -0.356 3.600 3.960 -0.005 0.000 0.252 94 G HA3 -0.356 3.600 3.960 -0.005 0.000 0.252 94 G C -0.166 174.622 174.900 -0.186 0.000 0.994 94 G CA 1.146 46.134 45.100 -0.187 0.000 0.698 94 G HN 0.617 nan 8.290 nan 0.000 0.521 95 K N -1.751 118.512 120.400 -0.228 0.000 2.480 95 K HA 0.571 4.888 4.320 -0.005 0.000 0.258 95 K C -1.194 175.262 176.600 -0.239 0.000 0.990 95 K CA -1.261 54.935 56.287 -0.151 0.000 0.857 95 K CB 1.367 33.833 32.500 -0.058 0.000 1.384 95 K HN 0.044 nan 8.250 nan 0.000 0.446 96 W N 1.765 123.051 121.300 -0.023 0.000 2.317 96 W HA 0.323 4.980 4.660 -0.006 0.000 0.327 96 W C -0.448 176.129 176.519 0.097 0.000 1.036 96 W CA -0.565 56.788 57.345 0.014 0.000 1.419 96 W CB 0.953 30.411 29.460 -0.002 0.000 1.253 96 W HN 0.112 nan 8.180 nan 0.000 0.392 97 V N 4.375 124.272 119.914 -0.029 0.000 2.546 97 V HA 0.183 4.300 4.120 -0.005 0.000 0.284 97 V C 0.648 176.546 176.094 -0.325 0.000 1.050 97 V CA -1.243 60.918 62.300 -0.231 0.000 0.981 97 V CB 1.019 32.489 31.823 -0.589 0.000 0.990 97 V HN 0.274 nan 8.190 nan 0.000 0.474 98 K N 3.491 123.676 120.400 -0.357 0.000 2.218 98 K HA 0.415 4.732 4.320 -0.005 0.000 0.276 98 K C -0.275 176.284 176.600 -0.068 0.000 1.022 98 K CA -0.407 55.524 56.287 -0.594 0.000 0.946 98 K CB 0.832 32.981 32.500 -0.584 0.000 1.000 98 K HN 0.591 nan 8.250 nan 0.000 0.468 99 M N 3.573 123.222 119.600 0.082 0.000 2.250 99 M HA 0.190 4.667 4.480 -0.005 0.000 0.344 99 M C -0.046 176.349 176.300 0.158 0.000 1.150 99 M CA -0.369 55.096 55.300 0.276 0.000 1.147 99 M CB 0.722 33.594 32.600 0.454 0.000 1.498 99 M HN 0.371 nan 8.290 nan 0.000 0.461 100 L N 1.917 123.197 121.223 0.095 0.000 2.439 100 L HA 0.338 4.675 4.340 -0.005 0.000 0.269 100 L C 0.182 177.005 176.870 -0.079 0.000 1.179 100 L CA -0.153 54.682 54.840 -0.008 0.000 0.828 100 L CB 0.780 42.820 42.059 -0.031 0.000 1.106 100 L HN 0.801 nan 8.230 nan 0.000 0.467 101 S N 2.848 118.392 115.700 -0.260 0.000 2.550 101 S HA 0.776 5.243 4.470 -0.005 0.000 0.270 101 S C -0.996 173.346 174.600 -0.430 0.000 1.145 101 S CA -1.055 56.802 58.200 -0.572 0.000 0.852 101 S CB 2.642 65.161 63.200 -1.134 0.000 1.119 101 S HN 0.807 nan 8.310 nan 0.000 0.465 102 R N 1.156 121.384 120.500 -0.453 0.000 2.668 102 R HA 0.592 4.929 4.340 -0.005 0.000 0.272 102 R C -1.565 174.507 176.300 -0.379 0.000 1.019 102 R CA -0.699 55.204 56.100 -0.327 0.000 0.894 102 R CB 1.580 31.736 30.300 -0.241 0.000 1.228 102 R HN 0.700 nan 8.270 nan 0.000 0.460 103 E N 1.620 121.631 120.200 -0.315 0.000 2.204 103 E HA 0.219 4.566 4.350 -0.005 0.000 0.276 103 E C -0.894 175.496 176.600 -0.350 0.000 0.974 103 E CA -0.756 55.444 56.400 -0.333 0.000 0.815 103 E CB 1.656 31.224 29.700 -0.220 0.000 1.119 103 E HN 0.409 nan 8.360 nan 0.000 0.393 104 E N 1.445 121.342 120.200 -0.506 0.000 2.266 104 E HA 0.353 4.700 4.350 -0.005 0.000 0.268 104 E C -1.128 175.343 176.600 -0.214 0.000 0.879 104 E CA -0.600 55.547 56.400 -0.421 0.000 0.762 104 E CB 2.314 31.613 29.700 -0.669 0.000 1.199 104 E HN 0.293 nan 8.360 nan 0.000 0.422 105 T N 2.793 117.306 114.554 -0.067 0.000 2.809 105 T HA 0.411 4.758 4.350 -0.005 0.000 0.284 105 T C -0.021 174.715 174.700 0.061 0.000 0.992 105 T CA -0.620 61.491 62.100 0.017 0.000 0.957 105 T CB 0.520 69.385 68.868 -0.005 0.000 0.942 105 T HN 0.170 nan 8.240 nan 0.000 0.439 106 I N 3.879 124.517 120.570 0.113 0.000 2.297 106 I HA 0.248 4.414 4.170 -0.005 0.000 0.291 106 I C 0.959 177.106 176.117 0.050 0.000 1.033 106 I CA -0.609 60.746 61.300 0.092 0.000 1.253 106 I CB 0.178 38.242 38.000 0.107 0.000 1.396 106 I HN 0.528 nan 8.210 nan 0.000 0.476 107 T N 6.035 120.606 114.554 0.028 0.000 2.907 107 T HA 0.482 4.829 4.350 -0.005 0.000 0.298 107 T C 0.247 174.954 174.700 0.013 0.000 1.017 107 T CA -0.266 61.844 62.100 0.017 0.000 1.118 107 T CB 1.396 70.268 68.868 0.007 0.000 0.948 107 T HN 0.296 nan 8.240 nan 0.000 0.531 108 V N 3.640 123.561 119.914 0.012 0.000 2.483 108 V HA 0.378 4.495 4.120 -0.005 0.000 0.297 108 V C 0.017 176.115 176.094 0.006 0.000 1.027 108 V CA -1.255 61.050 62.300 0.008 0.000 0.855 108 V CB 1.710 33.540 31.823 0.011 0.000 0.995 108 V HN 0.740 nan 8.190 nan 0.000 0.424 109 K N 4.312 124.714 120.400 0.004 0.000 2.436 109 K HA 0.118 4.435 4.320 -0.005 0.000 0.282 109 K C 0.503 177.107 176.600 0.005 0.000 1.044 109 K CA 0.932 57.222 56.287 0.004 0.000 1.028 109 K CB -0.810 31.691 32.500 0.003 0.000 0.919 109 K HN 0.727 nan 8.250 nan 0.000 0.474 110 N N 1.730 120.433 118.700 0.006 0.000 2.754 110 N HA -0.203 4.534 4.740 -0.005 0.000 0.248 110 N C -0.423 175.091 175.510 0.007 0.000 1.093 110 N CA 0.753 53.807 53.050 0.007 0.000 0.699 110 N CB -0.940 37.551 38.487 0.007 0.000 1.016 110 N HN 0.801 nan 8.380 nan 0.000 0.552 111 G N -0.688 108.116 108.800 0.008 0.000 2.687 111 G HA2 0.506 4.463 3.960 -0.005 0.000 0.291 111 G HA3 0.506 4.463 3.960 -0.005 0.000 0.291 111 G C -1.579 173.327 174.900 0.011 0.000 1.420 111 G CA -0.675 44.431 45.100 0.009 0.000 0.796 111 G HN 0.101 nan 8.290 nan 0.000 0.485 112 Q N -0.343 119.465 119.800 0.013 0.000 2.299 112 Q HA 0.585 4.921 4.340 -0.005 0.000 0.246 112 Q C 0.479 176.491 176.000 0.019 0.000 0.935 112 Q CA -0.357 55.455 55.803 0.015 0.000 0.887 112 Q CB 1.249 29.997 28.738 0.016 0.000 1.223 112 Q HN 0.806 nan 8.270 nan 0.000 0.439 113 A N 3.465 126.298 122.820 0.022 0.000 2.386 113 A HA 0.224 4.541 4.320 -0.005 0.000 0.248 113 A C -0.565 177.044 177.584 0.042 0.000 1.082 113 A CA -0.034 52.021 52.037 0.029 0.000 0.789 113 A CB 0.485 19.500 19.000 0.025 0.000 1.025 113 A HN 0.796 nan 8.150 nan 0.000 0.490 114 E N -0.060 120.178 120.200 0.063 0.000 2.248 114 E HA 0.509 4.856 4.350 -0.005 0.000 0.267 114 E C -0.764 175.929 176.600 0.155 0.000 0.877 114 E CA -0.528 55.926 56.400 0.091 0.000 0.759 114 E CB 2.106 31.854 29.700 0.080 0.000 1.182 114 E HN 0.768 nan 8.360 nan 0.000 0.418 115 T N 0.255 114.905 114.554 0.160 0.000 2.876 115 T HA 0.756 5.102 4.350 -0.005 0.000 0.289 115 T C -0.755 174.103 174.700 0.264 0.000 1.014 115 T CA -0.687 61.511 62.100 0.163 0.000 0.986 115 T CB 0.678 69.569 68.868 0.038 0.000 1.021 115 T HN 0.413 nan 8.240 nan 0.000 0.458 116 F N -0.900 119.050 119.950 0.000 0.000 2.745 116 F HA 0.825 5.349 4.527 -0.005 0.000 0.316 116 F C -1.131 174.658 175.800 -0.018 0.000 1.155 116 F CA -1.116 56.892 58.000 0.014 0.000 0.937 116 F CB 0.991 40.010 39.000 0.031 0.000 1.361 116 F HN 0.588 nan 8.300 nan 0.000 0.472 117 T N 1.673 116.172 114.554 -0.092 0.000 2.856 117 T HA 0.677 5.024 4.350 -0.005 0.000 0.283 117 T C -1.064 173.529 174.700 -0.178 0.000 1.008 117 T CA -0.627 61.298 62.100 -0.291 0.000 0.997 117 T CB 1.833 70.572 68.868 -0.214 0.000 0.992 117 T HN 0.588 nan 8.240 nan 0.000 0.454 118 V N 2.727 122.434 119.914 -0.345 0.000 2.417 118 V HA 0.506 4.623 4.120 -0.005 0.000 0.291 118 V C -1.037 174.889 176.094 -0.279 0.000 1.024 118 V CA -0.984 61.238 62.300 -0.129 0.000 0.861 118 V CB 1.163 32.942 31.823 -0.073 0.000 0.985 118 V HN 0.841 nan 8.190 nan 0.000 0.436 119 W N 3.733 125.037 121.300 0.007 0.000 2.627 119 W HA 0.833 5.490 4.660 -0.005 0.000 0.339 119 W C 0.173 176.671 176.519 -0.036 0.000 1.058 119 W CA -0.603 56.733 57.345 -0.015 0.000 1.223 119 W CB 1.529 30.988 29.460 -0.002 0.000 1.389 119 W HN 0.440 nan 8.180 nan 0.000 0.541 120 R N 1.179 121.788 120.500 0.181 0.000 2.626 120 R HA 0.586 4.923 4.340 -0.005 0.000 0.274 120 R C -0.507 175.780 176.300 -0.021 0.000 1.031 120 R CA -0.351 55.773 56.100 0.039 0.000 0.898 120 R CB 1.665 31.960 30.300 -0.009 0.000 1.222 120 R HN 0.602 nan 8.270 nan 0.000 0.455 121 T N -0.972 113.488 114.554 -0.158 0.000 2.841 121 T HA 0.193 4.539 4.350 -0.005 0.000 0.276 121 T C 0.868 175.401 174.700 -0.278 0.000 1.003 121 T CA -0.402 61.494 62.100 -0.340 0.000 0.995 121 T CB 1.154 69.516 68.868 -0.844 0.000 1.260 121 T HN 0.272 nan 8.240 nan 0.000 0.581 122 V N 0.548 120.250 119.914 -0.353 0.000 2.568 122 V HA -0.150 3.967 4.120 -0.005 0.000 0.253 122 V C 2.041 177.787 176.094 -0.580 0.000 1.072 122 V CA 2.073 64.097 62.300 -0.459 0.000 1.084 122 V CB -1.282 30.177 31.823 -0.607 0.000 0.676 122 V HN 0.950 nan 8.190 nan 0.000 0.469 123 H N -0.650 118.148 119.070 -0.453 0.000 2.497 123 H HA 0.495 5.048 4.556 -0.005 0.000 0.282 123 H C 0.929 176.050 175.328 -0.346 0.000 1.003 123 H CA 0.552 56.271 56.048 -0.548 0.000 1.307 123 H CB 0.477 29.812 29.762 -0.712 0.000 1.437 123 H HN 0.621 nan 8.280 nan 0.000 0.544 124 G N -0.467 108.245 108.800 -0.147 0.000 2.350 124 G HA2 -0.109 3.848 3.960 -0.005 0.000 0.282 124 G HA3 -0.109 3.848 3.960 -0.005 0.000 0.282 124 G C -1.614 173.251 174.900 -0.057 0.000 1.314 124 G CA -1.136 43.902 45.100 -0.104 0.000 0.915 124 G HN 0.054 nan 8.290 nan 0.000 0.499 125 N N 0.428 119.116 118.700 -0.019 0.000 2.492 125 N HA 0.368 5.104 4.740 -0.005 0.000 0.260 125 N C 0.477 176.022 175.510 0.058 0.000 1.215 125 N CA -0.342 52.727 53.050 0.030 0.000 0.923 125 N CB 0.545 39.062 38.487 0.049 0.000 1.092 125 N HN 0.400 nan 8.380 nan 0.000 0.448 126 I N 3.068 123.695 120.570 0.096 0.000 2.505 126 I HA -0.022 4.144 4.170 -0.005 0.000 0.287 126 I C 1.615 177.813 176.117 0.135 0.000 1.104 126 I CA 0.134 61.499 61.300 0.108 0.000 1.387 126 I CB -0.109 37.964 38.000 0.121 0.000 1.404 126 I HN 0.520 nan 8.210 nan 0.000 0.528 127 L N 5.773 127.079 121.223 0.137 0.000 2.049 127 L HA -0.075 4.261 4.340 -0.005 0.000 0.203 127 L C 0.858 177.814 176.870 0.143 0.000 1.074 127 L CA 1.141 56.062 54.840 0.134 0.000 0.749 127 L CB 0.064 42.200 42.059 0.127 0.000 0.907 127 L HN 0.742 nan 8.230 nan 0.000 0.439 128 Q N -1.775 118.134 119.800 0.182 0.000 2.522 128 Q HA 0.482 4.819 4.340 -0.005 0.000 0.285 128 Q C -1.153 174.969 176.000 0.203 0.000 0.982 128 Q CA -0.901 55.011 55.803 0.182 0.000 0.805 128 Q CB 1.759 30.597 28.738 0.167 0.000 1.457 128 Q HN 0.010 nan 8.270 nan 0.000 0.394 129 T N -1.943 112.689 114.554 0.129 0.000 2.907 129 T HA 0.500 4.846 4.350 -0.005 0.000 0.292 129 T C -1.092 173.652 174.700 0.074 0.000 1.043 129 T CA -0.700 61.435 62.100 0.058 0.000 1.003 129 T CB 1.769 70.628 68.868 -0.015 0.000 1.084 129 T HN 0.573 nan 8.240 nan 0.000 0.483 130 D N 1.288 121.710 120.400 0.037 0.000 2.458 130 D HA 0.219 4.856 4.640 -0.005 0.000 0.258 130 D C 1.353 177.661 176.300 0.014 0.000 1.134 130 D CA -0.509 53.520 54.000 0.048 0.000 0.915 130 D CB 0.974 41.820 40.800 0.076 0.000 1.028 130 D HN 0.588 nan 8.370 nan 0.000 0.508 131 Q N 0.734 120.542 119.800 0.013 0.000 2.170 131 Q HA -0.158 4.179 4.340 -0.005 0.000 0.203 131 Q C 1.799 177.805 176.000 0.010 0.000 0.976 131 Q CA 1.679 57.484 55.803 0.003 0.000 0.858 131 Q CB -0.524 28.215 28.738 0.002 0.000 0.907 131 Q HN 0.561 nan 8.270 nan 0.000 0.433 132 T N 0.102 114.668 114.554 0.019 0.000 2.665 132 T HA -0.180 4.167 4.350 -0.005 0.000 0.268 132 T C 2.113 176.825 174.700 0.020 0.000 1.035 132 T CA 2.035 64.147 62.100 0.020 0.000 1.151 132 T CB -0.795 68.089 68.868 0.026 0.000 0.862 132 T HN 0.479 nan 8.240 nan 0.000 0.438 133 T N -1.644 112.922 114.554 0.020 0.000 3.107 133 T HA 0.172 4.519 4.350 -0.005 0.000 0.249 133 T C 0.491 175.196 174.700 0.009 0.000 1.096 133 T CA -0.023 62.087 62.100 0.016 0.000 1.012 133 T CB -0.305 68.573 68.868 0.017 0.000 0.977 133 T HN 0.431 nan 8.240 nan 0.000 0.527 134 Q N 1.020 120.823 119.800 0.004 0.000 2.460 134 Q HA -0.117 4.219 4.340 -0.005 0.000 0.311 134 Q C -0.813 175.179 176.000 -0.014 0.000 1.396 134 Q CA 0.852 56.659 55.803 0.006 0.000 0.838 134 Q CB -2.688 26.071 28.738 0.035 0.000 1.140 134 Q HN 0.635 nan 8.270 nan 0.000 0.415 135 T N -0.208 114.304 114.554 -0.070 0.000 2.861 135 T HA 0.783 5.129 4.350 -0.005 0.000 0.287 135 T C -0.500 174.050 174.700 -0.250 0.000 1.003 135 T CA 0.012 62.003 62.100 -0.181 0.000 0.977 135 T CB 1.988 70.708 68.868 -0.247 0.000 0.996 135 T HN 0.406 nan 8.240 nan 0.000 0.448 136 A N 2.449 125.089 122.820 -0.299 0.000 2.386 136 A HA 0.796 5.112 4.320 -0.005 0.000 0.311 136 A C -1.710 175.677 177.584 -0.328 0.000 1.068 136 A CA -0.717 51.181 52.037 -0.232 0.000 0.743 136 A CB 0.898 19.819 19.000 -0.132 0.000 1.258 136 A HN 0.794 nan 8.150 nan 0.000 0.429 137 Y N 0.792 121.092 120.300 0.001 0.000 2.330 137 Y HA 0.565 5.112 4.550 -0.006 0.000 0.336 137 Y C 0.690 176.595 175.900 0.008 0.000 1.036 137 Y CA -0.051 58.052 58.100 0.005 0.000 1.125 137 Y CB 1.919 40.387 38.460 0.014 0.000 1.194 137 Y HN 0.826 nan 8.280 nan 0.000 0.469 138 A N 3.913 126.820 122.820 0.145 0.000 2.318 138 A HA 0.553 4.870 4.320 -0.005 0.000 0.324 138 A C -0.724 176.932 177.584 0.120 0.000 1.170 138 A CA -1.034 51.055 52.037 0.087 0.000 0.810 138 A CB 0.798 19.809 19.000 0.019 0.000 1.198 138 A HN 0.738 nan 8.150 nan 0.000 0.484 139 K N 1.777 122.225 120.400 0.081 0.000 2.248 139 K HA 0.405 4.721 4.320 -0.005 0.000 0.281 139 K C -0.361 176.255 176.600 0.025 0.000 1.054 139 K CA -0.018 56.312 56.287 0.072 0.000 0.903 139 K CB 0.693 33.228 32.500 0.058 0.000 1.077 139 K HN 0.598 nan 8.250 nan 0.000 0.474 140 S N 4.753 120.489 115.700 0.061 0.000 2.474 140 S HA 0.407 4.874 4.470 -0.005 0.000 0.321 140 S C -0.787 173.856 174.600 0.072 0.000 1.080 140 S CA -0.910 57.272 58.200 -0.030 0.000 1.106 140 S CB 0.530 63.645 63.200 -0.141 0.000 0.984 140 S HN 0.664 nan 8.310 nan 0.000 0.464 141 R N 2.893 123.321 120.500 -0.120 0.000 2.368 141 R HA 0.577 4.914 4.340 -0.005 0.000 0.302 141 R C 1.174 177.422 176.300 -0.086 0.000 1.002 141 R CA -0.168 55.734 56.100 -0.330 0.000 0.929 141 R CB 1.041 30.589 30.300 -1.253 0.000 1.073 141 R HN 0.728 nan 8.270 nan 0.000 0.464 142 A N 3.663 126.480 122.820 -0.005 0.000 2.119 142 A HA -0.077 4.239 4.320 -0.005 0.000 0.217 142 A C 0.936 178.518 177.584 -0.004 0.000 1.153 142 A CA 0.557 52.604 52.037 0.018 0.000 0.692 142 A CB -0.294 18.587 19.000 -0.198 0.000 0.799 142 A HN 0.942 nan 8.150 nan 0.000 0.458 143 W N -0.688 120.614 121.300 0.003 0.000 3.278 143 W HA 0.259 4.915 4.660 -0.005 0.000 0.308 143 W C -0.542 175.976 176.519 -0.001 0.000 1.253 143 W CA -0.482 56.839 57.345 -0.041 0.000 1.759 143 W CB -0.885 28.530 29.460 -0.074 0.000 1.093 143 W HN 0.215 nan 8.180 nan 0.000 0.648 144 D N 1.672 121.984 120.400 -0.147 0.000 2.493 144 D HA 0.206 4.842 4.640 -0.005 0.000 0.240 144 D C 1.559 177.876 176.300 0.028 0.000 1.142 144 D CA 2.477 56.411 54.000 -0.111 0.000 0.872 144 D CB 0.619 41.309 40.800 -0.183 0.000 1.173 144 D HN 0.348 nan 8.370 nan 0.000 0.467 145 G N 3.710 112.550 108.800 0.066 0.000 2.176 145 G HA2 -0.294 3.663 3.960 -0.005 0.000 0.253 145 G HA3 -0.294 3.663 3.960 -0.005 0.000 0.253 145 G C 0.762 175.699 174.900 0.062 0.000 0.979 145 G CA 0.498 45.626 45.100 0.048 0.000 0.641 145 G HN 0.577 nan 8.290 nan 0.000 0.530 146 K N -0.408 120.057 120.400 0.108 0.000 2.536 146 K HA 0.314 4.631 4.320 -0.005 0.000 0.203 146 K C 1.307 177.953 176.600 0.075 0.000 1.063 146 K CA 0.117 56.449 56.287 0.074 0.000 1.063 146 K CB 0.647 33.178 32.500 0.052 0.000 0.843 146 K HN 0.257 nan 8.250 nan 0.000 0.521 147 E N 0.766 121.031 120.200 0.109 0.000 2.031 147 E HA -0.149 4.198 4.350 -0.005 0.000 0.193 147 E C 1.758 178.350 176.600 -0.012 0.000 0.994 147 E CA 1.356 57.786 56.400 0.052 0.000 0.800 147 E CB -0.017 29.738 29.700 0.091 0.000 0.752 147 E HN -0.020 nan 8.360 nan 0.000 0.447 148 V N 0.987 120.899 119.914 -0.004 0.000 2.358 148 V HA -0.232 3.884 4.120 -0.005 0.000 0.246 148 V C 2.204 178.279 176.094 -0.031 0.000 1.047 148 V CA 1.708 63.992 62.300 -0.026 0.000 1.035 148 V CB -0.812 31.001 31.823 -0.017 0.000 0.658 148 V HN 0.350 nan 8.190 nan 0.000 0.452 149 A N -0.291 122.514 122.820 -0.024 0.000 1.972 149 A HA -0.188 4.129 4.320 -0.005 0.000 0.219 149 A C 2.472 180.022 177.584 -0.056 0.000 1.169 149 A CA 2.129 54.143 52.037 -0.038 0.000 0.635 149 A CB -0.572 18.402 19.000 -0.042 0.000 0.810 149 A HN 0.512 nan 8.150 nan 0.000 0.446 150 S N -0.439 115.229 115.700 -0.054 0.000 2.368 150 S HA -0.100 4.367 4.470 -0.005 0.000 0.224 150 S C 1.869 176.509 174.600 0.067 0.000 1.029 150 S CA 1.146 59.316 58.200 -0.048 0.000 0.988 150 S CB -0.477 62.685 63.200 -0.064 0.000 0.838 150 S HN 0.586 nan 8.310 nan 0.000 0.462 151 L N 1.350 122.587 121.223 0.023 0.000 2.012 151 L HA -0.133 4.204 4.340 -0.005 0.000 0.210 151 L C 2.027 178.893 176.870 -0.008 0.000 1.073 151 L CA 1.524 56.362 54.840 -0.004 0.000 0.748 151 L CB -0.273 41.725 42.059 -0.102 0.000 0.891 151 L HN 0.315 nan 8.230 nan 0.000 0.431 152 L N -0.543 120.633 121.223 -0.078 0.000 2.109 152 L HA -0.139 4.198 4.340 -0.005 0.000 0.207 152 L C 2.846 179.590 176.870 -0.209 0.000 1.086 152 L CA 0.911 55.617 54.840 -0.223 0.000 0.760 152 L CB -0.753 41.202 42.059 -0.173 0.000 0.910 152 L HN 0.346 nan 8.230 nan 0.000 0.437 153 A N -0.577 122.210 122.820 -0.056 0.000 1.908 153 A HA -0.255 4.061 4.320 -0.005 0.000 0.218 153 A C 2.096 179.729 177.584 0.082 0.000 1.181 153 A CA 1.297 53.319 52.037 -0.024 0.000 0.627 153 A CB -0.863 18.048 19.000 -0.149 0.000 0.818 153 A HN 0.571 nan 8.150 nan 0.000 0.445 154 W N 1.065 122.375 121.300 0.015 0.000 2.425 154 W HA -0.067 4.590 4.660 -0.006 0.000 0.277 154 W C 2.023 178.449 176.519 -0.155 0.000 1.231 154 W CA 1.796 59.132 57.345 -0.016 0.000 1.248 154 W CB -0.799 28.664 29.460 0.006 0.000 1.117 154 W HN 0.407 nan 8.180 nan 0.000 0.568 155 T N -1.686 112.901 114.554 0.056 0.000 2.770 155 T HA -0.152 4.194 4.350 -0.005 0.000 0.258 155 T C 1.369 176.112 174.700 0.071 0.000 1.039 155 T CA 1.536 63.615 62.100 -0.034 0.000 1.143 155 T CB -0.595 68.165 68.868 -0.180 0.000 0.866 155 T HN 0.229 nan 8.240 nan 0.000 0.428 156 H N 1.386 120.510 119.070 0.091 0.000 2.421 156 H HA -0.093 4.459 4.556 -0.006 0.000 0.298 156 H C 2.569 177.888 175.328 -0.015 0.000 1.087 156 H CA 1.255 57.339 56.048 0.061 0.000 1.330 156 H CB 0.011 29.774 29.762 0.001 0.000 1.388 156 H HN 0.438 nan 8.280 nan 0.000 0.526 157 Q N 0.904 120.722 119.800 0.030 0.000 2.291 157 Q HA -0.149 4.187 4.340 -0.005 0.000 0.206 157 Q C 1.748 177.613 176.000 -0.224 0.000 0.976 157 Q CA 1.542 57.286 55.803 -0.099 0.000 0.875 157 Q CB -0.399 28.181 28.738 -0.263 0.000 0.927 157 Q HN 0.495 nan 8.270 nan 0.000 0.450 158 M N 0.133 119.560 119.600 -0.288 0.000 2.358 158 M HA -0.069 4.407 4.480 -0.005 0.000 0.264 158 M C 1.396 177.717 176.300 0.035 0.000 1.064 158 M CA 1.436 56.525 55.300 -0.352 0.000 1.093 158 M CB -0.167 32.445 32.600 0.020 0.000 1.401 158 M HN 0.204 nan 8.290 nan 0.000 0.440 159 K N 0.571 121.003 120.400 0.054 0.000 2.400 159 K HA 0.233 4.550 4.320 -0.005 0.000 0.194 159 K C 0.710 177.353 176.600 0.072 0.000 1.033 159 K CA -0.106 56.192 56.287 0.018 0.000 1.021 159 K CB 0.069 32.489 32.500 -0.134 0.000 0.808 159 K HN 0.224 nan 8.250 nan 0.000 0.505 160 A N 1.861 124.756 122.820 0.125 0.000 2.520 160 A HA -0.015 4.301 4.320 -0.005 0.000 0.235 160 A C 0.649 178.371 177.584 0.229 0.000 1.065 160 A CA 0.445 52.599 52.037 0.195 0.000 0.764 160 A CB 0.308 19.512 19.000 0.339 0.000 1.002 160 A HN 0.145 nan 8.150 nan 0.000 0.502 161 K N 0.444 120.968 120.400 0.206 0.000 2.438 161 K HA 0.098 4.415 4.320 -0.005 0.000 0.206 161 K C -0.510 176.230 176.600 0.233 0.000 1.081 161 K CA 0.380 56.783 56.287 0.193 0.000 1.053 161 K CB 0.251 32.831 32.500 0.132 0.000 0.908 161 K HN 0.948 nan 8.250 nan 0.000 0.556 162 N N -2.376 116.508 118.700 0.307 0.000 3.179 162 N HA -0.033 4.704 4.740 -0.005 0.000 0.250 162 N C 0.113 175.867 175.510 0.405 0.000 1.507 162 N CA -0.899 52.388 53.050 0.395 0.000 0.883 162 N CB -0.213 38.427 38.487 0.255 0.000 1.435 162 N HN -0.058 nan 8.380 nan 0.000 0.532 163 W N 0.521 121.807 121.300 -0.024 0.000 2.318 163 W HA -0.288 4.369 4.660 -0.005 0.000 0.313 163 W C 1.037 177.514 176.519 -0.070 0.000 1.221 163 W CA 2.501 59.639 57.345 -0.345 0.000 1.266 163 W CB -0.004 29.069 29.460 -0.644 0.000 1.150 163 W HN 0.701 nan 8.180 nan 0.000 0.496 164 Q N 0.142 119.959 119.800 0.028 0.000 2.050 164 Q HA -0.273 4.064 4.340 -0.005 0.000 0.202 164 Q C 2.299 178.246 176.000 -0.089 0.000 0.980 164 Q CA 2.224 57.977 55.803 -0.082 0.000 0.840 164 Q CB -0.736 28.010 28.738 0.013 0.000 0.898 164 Q HN 0.461 nan 8.270 nan 0.000 0.424 165 Q N -0.752 119.061 119.800 0.022 0.000 2.123 165 Q HA -0.166 4.170 4.340 -0.005 0.000 0.199 165 Q C 1.704 177.726 176.000 0.035 0.000 0.966 165 Q CA 1.067 56.882 55.803 0.021 0.000 0.845 165 Q CB -0.226 28.557 28.738 0.076 0.000 0.907 165 Q HN 0.446 nan 8.270 nan 0.000 0.439 166 W N 1.653 122.907 121.300 -0.077 0.000 2.358 166 W HA -0.199 4.458 4.660 -0.006 0.000 0.303 166 W C 2.304 178.692 176.519 -0.219 0.000 1.208 166 W CA 2.383 59.692 57.345 -0.060 0.000 1.274 166 W CB -0.310 29.232 29.460 0.137 0.000 1.138 166 W HN 0.162 nan 8.180 nan 0.000 0.515 167 T N -1.677 112.648 114.554 -0.381 0.000 2.962 167 T HA -0.207 4.140 4.350 -0.005 0.000 0.270 167 T C 1.524 175.857 174.700 -0.612 0.000 1.088 167 T CA 1.540 63.271 62.100 -0.615 0.000 1.127 167 T CB -0.476 67.995 68.868 -0.662 0.000 0.883 167 T HN 0.322 nan 8.240 nan 0.000 0.493 168 Q N 0.219 119.757 119.800 -0.436 0.000 2.167 168 Q HA -0.044 4.293 4.340 -0.005 0.000 0.202 168 Q C 2.549 178.276 176.000 -0.455 0.000 0.970 168 Q CA 1.061 56.609 55.803 -0.424 0.000 0.855 168 Q CB -0.030 28.550 28.738 -0.264 0.000 0.911 168 Q HN 0.483 nan 8.270 nan 0.000 0.438 169 Q N -0.812 118.741 119.800 -0.413 0.000 2.269 169 Q HA 0.052 4.389 4.340 -0.005 0.000 0.201 169 Q C 1.896 177.529 176.000 -0.612 0.000 0.946 169 Q CA 1.064 56.642 55.803 -0.376 0.000 0.877 169 Q CB -0.049 28.562 28.738 -0.211 0.000 0.963 169 Q HN 0.350 nan 8.270 nan 0.000 0.472 170 A N 1.090 123.403 122.820 -0.845 0.000 1.969 170 A HA 0.011 4.327 4.320 -0.005 0.000 0.218 170 A C 2.224 179.198 177.584 -1.017 0.000 1.169 170 A CA 1.459 52.766 52.037 -1.217 0.000 0.635 170 A CB -0.421 17.934 19.000 -1.075 0.000 0.810 170 A HN 0.309 nan 8.150 nan 0.000 0.445 171 A N -0.493 121.659 122.820 -1.113 0.000 2.121 171 A HA -0.061 4.256 4.320 -0.005 0.000 0.218 171 A C 1.961 179.159 177.584 -0.644 0.000 1.154 171 A CA 1.439 52.758 52.037 -1.197 0.000 0.679 171 A CB -0.235 17.924 19.000 -1.403 0.000 0.795 171 A HN 0.505 nan 8.150 nan 0.000 0.458 172 K N -0.792 119.271 120.400 -0.561 0.000 2.361 172 K HA 0.070 4.386 4.320 -0.005 0.000 0.194 172 K C 0.505 176.876 176.600 -0.382 0.000 1.032 172 K CA -0.152 55.907 56.287 -0.379 0.000 1.048 172 K CB 0.261 32.589 32.500 -0.286 0.000 0.842 172 K HN 0.299 nan 8.250 nan 0.000 0.526 173 Q N 1.073 120.523 119.800 -0.583 0.000 2.307 173 Q HA 0.123 4.459 4.340 -0.005 0.000 0.261 173 Q C 0.128 175.832 176.000 -0.494 0.000 1.051 173 Q CA 0.039 55.473 55.803 -0.616 0.000 0.911 173 Q CB 1.316 29.359 28.738 -1.158 0.000 1.227 173 Q HN 0.214 nan 8.270 nan 0.000 0.418 174 A N 5.423 128.051 122.820 -0.320 0.000 2.267 174 A HA 0.208 4.525 4.320 -0.005 0.000 0.213 174 A C 0.633 178.066 177.584 -0.251 0.000 1.192 174 A CA -0.062 51.834 52.037 -0.235 0.000 0.851 174 A CB 0.345 19.298 19.000 -0.077 0.000 0.881 174 A HN 0.651 nan 8.150 nan 0.000 0.494 175 L N -0.137 120.890 121.223 -0.328 0.000 2.375 175 L HA 0.224 4.561 4.340 -0.005 0.000 0.271 175 L C 0.882 177.581 176.870 -0.285 0.000 1.107 175 L CA -0.401 54.214 54.840 -0.375 0.000 0.806 175 L CB 1.076 42.920 42.059 -0.359 0.000 1.146 175 L HN 0.078 nan 8.230 nan 0.000 0.447 176 T N 4.418 118.857 114.554 -0.190 0.000 3.162 176 T HA 0.287 4.634 4.350 -0.005 0.000 0.264 176 T C -0.255 174.388 174.700 -0.095 0.000 0.959 176 T CA -0.283 61.764 62.100 -0.090 0.000 1.118 176 T CB -0.963 67.992 68.868 0.146 0.000 0.979 176 T HN 0.200 nan 8.240 nan 0.000 0.679 177 I N 4.186 124.662 120.570 -0.155 0.000 2.647 177 I HA 0.418 4.585 4.170 -0.005 0.000 0.295 177 I C -0.070 176.051 176.117 0.006 0.000 1.078 177 I CA -1.270 60.044 61.300 0.023 0.000 1.048 177 I CB 1.997 40.090 38.000 0.156 0.000 1.239 177 I HN 0.428 nan 8.210 nan 0.000 0.421 178 N N 3.905 122.769 118.700 0.274 0.000 2.472 178 N HA 0.263 5.000 4.740 -0.005 0.000 0.277 178 N C -1.186 174.561 175.510 0.395 0.000 1.081 178 N CA -0.145 53.088 53.050 0.305 0.000 0.973 178 N CB 1.513 40.346 38.487 0.577 0.000 1.105 178 N HN 0.399 nan 8.380 nan 0.000 0.470 179 W N 2.107 123.333 121.300 -0.123 0.000 2.666 179 W HA 0.424 5.081 4.660 -0.006 0.000 0.334 179 W C -0.668 175.923 176.519 0.119 0.000 1.051 179 W CA -0.501 56.913 57.345 0.115 0.000 1.224 179 W CB 0.542 30.028 29.460 0.043 0.000 1.405 179 W HN 0.361 nan 8.180 nan 0.000 0.513 180 Y N 1.876 122.685 120.300 0.848 0.000 2.545 180 Y HA 0.471 5.017 4.550 -0.006 0.000 0.348 180 Y C -0.994 175.133 175.900 0.378 0.000 1.002 180 Y CA -1.582 56.903 58.100 0.642 0.000 1.039 180 Y CB 2.024 40.752 38.460 0.448 0.000 1.271 180 Y HN 0.304 nan 8.280 nan 0.000 0.467 181 Y N 1.183 121.582 120.300 0.165 0.000 2.442 181 Y HA 0.859 5.405 4.550 -0.006 0.000 0.344 181 Y C -1.279 174.648 175.900 0.044 0.000 0.976 181 Y CA -0.971 57.005 58.100 -0.207 0.000 1.040 181 Y CB 1.495 39.669 38.460 -0.477 0.000 1.228 181 Y HN 0.796 nan 8.280 nan 0.000 0.451 182 A N 4.138 126.681 122.820 -0.461 0.000 2.556 182 A HA 0.753 5.070 4.320 -0.005 0.000 0.294 182 A C -1.817 175.372 177.584 -0.657 0.000 1.091 182 A CA -0.393 51.479 52.037 -0.275 0.000 0.704 182 A CB 1.613 20.657 19.000 0.074 0.000 1.300 182 A HN 0.810 nan 8.150 nan 0.000 0.406 183 D N -1.360 118.661 120.400 -0.632 0.000 2.610 183 D HA 0.427 5.063 4.640 -0.005 0.000 0.271 183 D C 0.685 176.229 176.300 -1.261 0.000 1.174 183 D CA 0.110 53.502 54.000 -1.015 0.000 0.949 183 D CB 0.429 40.961 40.800 -0.447 0.000 1.430 183 D HN 0.650 nan 8.370 nan 0.000 0.467 184 V N -1.102 118.133 119.914 -1.131 0.000 2.720 184 V HA -0.112 4.004 4.120 -0.005 0.000 0.256 184 V C 1.076 177.057 176.094 -0.189 0.000 1.082 184 V CA 1.257 63.240 62.300 -0.528 0.000 1.101 184 V CB -0.999 30.739 31.823 -0.141 0.000 0.693 184 V HN 0.537 nan 8.190 nan 0.000 0.479 185 N N 0.731 119.332 118.700 -0.165 0.000 2.336 185 N HA 0.190 4.927 4.740 -0.005 0.000 0.189 185 N C 1.596 177.078 175.510 -0.047 0.000 1.113 185 N CA 1.038 54.054 53.050 -0.057 0.000 0.858 185 N CB 1.048 39.527 38.487 -0.014 0.000 0.970 185 N HN 0.719 nan 8.380 nan 0.000 0.471 186 G N 0.822 109.575 108.800 -0.079 0.000 2.159 186 G HA2 -0.225 3.732 3.960 -0.005 0.000 0.227 186 G HA3 -0.225 3.732 3.960 -0.005 0.000 0.227 186 G C -0.137 174.732 174.900 -0.051 0.000 0.986 186 G CA -0.491 44.588 45.100 -0.035 0.000 0.651 186 G HN 0.246 nan 8.290 nan 0.000 0.523 187 N N 0.771 119.442 118.700 -0.048 0.000 2.525 187 N HA 0.620 5.357 4.740 -0.005 0.000 0.271 187 N C 0.563 176.080 175.510 0.012 0.000 1.194 187 N CA 0.732 53.730 53.050 -0.086 0.000 0.964 187 N CB 1.354 39.877 38.487 0.059 0.000 1.126 187 N HN 0.837 nan 8.380 nan 0.000 0.452 188 I N -3.146 117.361 120.570 -0.104 0.000 2.769 188 I HA 0.863 5.030 4.170 -0.005 0.000 0.298 188 I C -0.178 175.974 176.117 0.058 0.000 1.128 188 I CA -0.961 60.399 61.300 0.100 0.000 1.031 188 I CB 2.313 40.365 38.000 0.086 0.000 1.235 188 I HN 0.462 nan 8.210 nan 0.000 0.423 189 G N 2.687 111.692 108.800 0.341 0.000 2.649 189 G HA2 0.631 4.588 3.960 -0.005 0.000 0.290 189 G HA3 0.631 4.588 3.960 -0.005 0.000 0.290 189 G C -2.612 172.704 174.900 0.693 0.000 1.426 189 G CA -0.628 44.690 45.100 0.365 0.000 0.794 189 G HN 0.855 nan 8.290 nan 0.000 0.483 190 Y N -0.243 120.405 120.300 0.580 0.000 2.482 190 Y HA 0.650 5.196 4.550 -0.005 0.000 0.334 190 Y C -1.574 174.566 175.900 0.400 0.000 1.091 190 Y CA -1.102 57.237 58.100 0.399 0.000 1.027 190 Y CB 2.015 40.616 38.460 0.235 0.000 1.306 190 Y HN 0.598 nan 8.280 nan 0.000 0.446 191 V N 5.146 124.837 119.914 -0.371 0.000 2.686 191 V HA 0.238 4.355 4.120 -0.005 0.000 0.306 191 V C -1.185 174.479 176.094 -0.717 0.000 1.065 191 V CA -0.895 61.114 62.300 -0.485 0.000 0.894 191 V CB 1.635 33.358 31.823 -0.167 0.000 1.004 191 V HN 0.848 nan 8.190 nan 0.000 0.424 192 H N 3.190 121.800 119.070 -0.766 0.000 2.908 192 H HA 0.486 5.039 4.556 -0.005 0.000 0.269 192 H C 0.609 175.793 175.328 -0.240 0.000 1.303 192 H CA 0.159 55.966 56.048 -0.402 0.000 1.341 192 H CB 0.488 30.027 29.762 -0.372 0.000 1.519 192 H HN 0.881 nan 8.280 nan 0.000 0.505 193 T N 1.756 116.015 114.554 -0.493 0.000 2.788 193 T HA 0.631 4.977 4.350 -0.005 0.000 0.287 193 T C 0.663 175.158 174.700 -0.342 0.000 1.007 193 T CA 0.079 61.899 62.100 -0.467 0.000 1.005 193 T CB 1.221 69.571 68.868 -0.863 0.000 1.012 193 T HN 1.012 nan 8.240 nan 0.000 0.530 194 G N -0.609 108.017 108.800 -0.289 0.000 2.357 194 G HA2 0.497 4.454 3.960 -0.005 0.000 0.643 194 G HA3 0.497 4.454 3.960 -0.005 0.000 0.643 194 G C -0.703 173.920 174.900 -0.462 0.000 1.358 194 G CA -0.487 44.369 45.100 -0.407 0.000 0.986 194 G HN 1.367 nan 8.290 nan 0.000 0.620 195 A N 0.116 122.620 122.820 -0.527 0.000 2.276 195 A HA 0.782 5.099 4.320 -0.005 0.000 0.300 195 A C -0.899 176.259 177.584 -0.710 0.000 1.235 195 A CA -0.191 51.605 52.037 -0.402 0.000 0.867 195 A CB 0.177 19.067 19.000 -0.183 0.000 1.137 195 A HN 1.115 nan 8.150 nan 0.000 0.527 196 Y N 3.144 123.405 120.300 -0.064 0.000 2.409 196 Y HA 0.479 5.026 4.550 -0.005 0.000 0.343 196 Y C -2.075 173.655 175.900 -0.282 0.000 0.973 196 Y CA -2.719 55.301 58.100 -0.134 0.000 1.064 196 Y CB 1.688 40.128 38.460 -0.032 0.000 1.207 196 Y HN 0.512 nan 8.280 nan 0.000 0.452 197 P HA -0.024 nan 4.420 nan 0.000 0.272 197 P C -0.599 176.465 177.300 -0.394 0.000 1.223 197 P CA -0.047 62.584 63.100 -0.782 0.000 0.784 197 P CB 1.085 31.617 31.700 -1.945 0.000 0.923 198 D N 2.561 122.818 120.400 -0.239 0.000 2.467 198 D HA 0.150 4.787 4.640 -0.005 0.000 0.220 198 D C -0.125 176.180 176.300 0.008 0.000 1.103 198 D CA -0.408 53.551 54.000 -0.068 0.000 0.886 198 D CB 0.082 40.887 40.800 0.008 0.000 1.025 198 D HN 0.158 nan 8.370 nan 0.000 0.514 199 R N 2.177 122.667 120.500 -0.018 0.000 2.500 199 R HA 0.256 4.593 4.340 -0.005 0.000 0.275 199 R C 0.568 177.001 176.300 0.222 0.000 1.051 199 R CA -0.804 55.377 56.100 0.135 0.000 1.088 199 R CB 0.867 31.132 30.300 -0.059 0.000 1.063 199 R HN 0.375 nan 8.270 nan 0.000 0.511 200 Q N 0.746 120.762 119.800 0.361 0.000 2.395 200 Q HA 0.037 4.373 4.340 -0.005 0.000 0.271 200 Q C -0.082 176.100 176.000 0.304 0.000 1.026 200 Q CA 0.343 56.312 55.803 0.277 0.000 0.900 200 Q CB 0.813 29.710 28.738 0.264 0.000 1.266 200 Q HN 0.508 nan 8.270 nan 0.000 0.430 201 S N 0.530 116.345 115.700 0.192 0.000 2.563 201 S HA 0.207 4.674 4.470 -0.005 0.000 0.294 201 S C 1.091 175.877 174.600 0.310 0.000 1.279 201 S CA 1.006 59.321 58.200 0.191 0.000 1.069 201 S CB -0.075 63.191 63.200 0.110 0.000 0.828 201 S HN 0.822 nan 8.310 nan 0.000 0.497 202 G N 2.461 111.432 108.800 0.284 0.000 2.159 202 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.256 202 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.256 202 G C -0.049 175.032 174.900 0.302 0.000 0.977 202 G CA 0.478 45.760 45.100 0.304 0.000 0.652 202 G HN 0.939 nan 8.290 nan 0.000 0.531 203 H N 1.046 120.271 119.070 0.257 0.000 2.944 203 H HA 0.448 5.000 4.556 -0.005 0.000 0.278 203 H C -0.430 174.899 175.328 0.002 0.000 1.083 203 H CA -0.336 55.759 56.048 0.079 0.000 1.479 203 H CB 0.572 30.480 29.762 0.245 0.000 1.486 203 H HN 0.125 nan 8.280 nan 0.000 0.493 204 D N 7.216 127.713 120.400 0.163 0.000 2.339 204 D HA 0.057 4.693 4.640 -0.005 0.000 0.241 204 D C -1.729 174.687 176.300 0.194 0.000 1.183 204 D CA -2.394 51.675 54.000 0.116 0.000 0.859 204 D CB 1.633 42.439 40.800 0.009 0.000 1.067 204 D HN 0.451 nan 8.370 nan 0.000 0.484 205 P HA 0.034 nan 4.420 nan 0.000 0.242 205 P C 0.678 178.015 177.300 0.061 0.000 1.197 205 P CA 0.340 63.481 63.100 0.068 0.000 0.765 205 P CB 0.311 31.975 31.700 -0.061 0.000 0.936 206 R N -1.047 119.480 120.500 0.046 0.000 2.300 206 R HA 0.292 4.629 4.340 -0.005 0.000 0.199 206 R C 0.654 176.968 176.300 0.024 0.000 0.920 206 R CA 0.251 56.372 56.100 0.034 0.000 1.046 206 R CB 0.009 30.329 30.300 0.034 0.000 0.984 206 R HN 0.221 nan 8.270 nan 0.000 0.493 207 L N 0.061 121.287 121.223 0.005 0.000 2.376 207 L HA 0.480 4.817 4.340 -0.005 0.000 0.258 207 L C -2.444 174.374 176.870 -0.087 0.000 1.013 207 L CA -2.690 52.127 54.840 -0.039 0.000 0.822 207 L CB 2.019 44.041 42.059 -0.063 0.000 1.388 207 L HN -0.244 nan 8.230 nan 0.000 0.413 208 P HA 0.136 nan 4.420 nan 0.000 0.268 208 P C -1.184 175.931 177.300 -0.309 0.000 1.208 208 P CA -0.254 62.761 63.100 -0.143 0.000 0.777 208 P CB 0.554 32.261 31.700 0.012 0.000 0.875 209 V N -1.112 118.517 119.914 -0.475 0.000 2.769 209 V HA 0.632 4.749 4.120 -0.005 0.000 0.312 209 V C -2.703 173.166 176.094 -0.375 0.000 1.061 209 V CA -3.272 58.648 62.300 -0.633 0.000 0.931 209 V CB 1.444 32.717 31.823 -0.916 0.000 1.010 209 V HN 0.294 nan 8.190 nan 0.000 0.433 210 P HA 0.213 nan 4.420 nan 0.000 0.265 210 P C 0.775 178.166 177.300 0.152 0.000 1.193 210 P CA 0.449 63.544 63.100 -0.009 0.000 0.765 210 P CB 0.676 32.439 31.700 0.105 0.000 0.823 211 G N 1.235 110.120 108.800 0.141 0.000 3.383 211 G HA2 -0.006 3.951 3.960 -0.005 0.000 0.251 211 G HA3 -0.006 3.951 3.960 -0.005 0.000 0.251 211 G C 0.928 176.040 174.900 0.353 0.000 1.203 211 G CA 0.078 45.296 45.100 0.197 0.000 0.852 211 G HN 0.537 nan 8.290 nan 0.000 0.531 212 T N -3.798 110.927 114.554 0.284 0.000 3.113 212 T HA 0.387 4.734 4.350 -0.005 0.000 0.256 212 T C 1.755 176.583 174.700 0.213 0.000 1.131 212 T CA 1.184 63.418 62.100 0.224 0.000 1.074 212 T CB 0.327 69.249 68.868 0.091 0.000 0.944 212 T HN 0.890 nan 8.240 nan 0.000 0.516 213 G N 1.486 110.453 108.800 0.279 0.000 3.134 213 G HA2 -0.184 3.773 3.960 -0.005 0.000 0.195 213 G HA3 -0.184 3.773 3.960 -0.005 0.000 0.195 213 G C 0.850 175.786 174.900 0.060 0.000 1.054 213 G CA -0.024 45.145 45.100 0.115 0.000 0.828 213 G HN 0.440 nan 8.290 nan 0.000 0.462 214 K N 0.137 120.522 120.400 -0.024 0.000 2.296 214 K HA 0.216 4.533 4.320 -0.005 0.000 0.200 214 K C 1.391 177.738 176.600 -0.420 0.000 1.048 214 K CA 0.947 57.076 56.287 -0.264 0.000 0.966 214 K CB -0.230 32.018 32.500 -0.421 0.000 0.754 214 K HN 0.590 nan 8.250 nan 0.000 0.466 215 W N 1.689 123.079 121.300 0.149 0.000 3.278 215 W HA 0.168 4.825 4.660 -0.006 0.000 0.308 215 W C -0.469 176.269 176.519 0.365 0.000 1.253 215 W CA -0.771 56.680 57.345 0.176 0.000 1.759 215 W CB 0.222 29.692 29.460 0.016 0.000 1.093 215 W HN -0.146 nan 8.180 nan 0.000 0.648 216 D N 0.337 121.025 120.400 0.480 0.000 2.506 216 D HA -0.110 4.527 4.640 -0.005 0.000 0.234 216 D C 0.489 177.082 176.300 0.487 0.000 1.143 216 D CA 0.428 54.680 54.000 0.420 0.000 0.871 216 D CB 0.464 41.426 40.800 0.269 0.000 1.190 216 D HN -0.197 nan 8.370 nan 0.000 0.459 217 W N 1.725 123.261 121.300 0.394 0.000 2.187 217 W HA 0.011 4.668 4.660 -0.006 0.000 0.348 217 W C 1.589 178.209 176.519 0.169 0.000 1.282 217 W CA -0.419 57.094 57.345 0.279 0.000 1.271 217 W CB -0.089 29.512 29.460 0.236 0.000 1.170 217 W HN 0.403 nan 8.180 nan 0.000 0.583 218 K N 0.998 121.611 120.400 0.356 0.000 2.314 218 K HA 0.247 4.564 4.320 -0.005 0.000 0.198 218 K C 1.088 177.792 176.600 0.173 0.000 1.045 218 K CA 0.967 57.378 56.287 0.206 0.000 0.988 218 K CB 0.471 33.055 32.500 0.141 0.000 0.783 218 K HN 0.614 nan 8.250 nan 0.000 0.484 219 G N 0.387 109.303 108.800 0.194 0.000 2.455 219 G HA2 0.191 4.148 3.960 -0.005 0.000 0.223 219 G HA3 0.191 4.148 3.960 -0.005 0.000 0.223 219 G C -1.887 173.057 174.900 0.073 0.000 1.226 219 G CA -0.980 44.202 45.100 0.137 0.000 0.948 219 G HN -0.025 nan 8.290 nan 0.000 0.478 220 L N 0.694 121.933 121.223 0.027 0.000 2.342 220 L HA 0.623 4.959 4.340 -0.005 0.000 0.271 220 L C 0.178 177.046 176.870 -0.003 0.000 1.008 220 L CA -0.880 53.943 54.840 -0.027 0.000 0.818 220 L CB 1.884 43.928 42.059 -0.024 0.000 1.296 220 L HN 0.411 nan 8.230 nan 0.000 0.427 221 L N 2.471 123.697 121.223 0.004 0.000 2.464 221 L HA 0.304 4.641 4.340 -0.005 0.000 0.264 221 L C -1.854 175.044 176.870 0.047 0.000 1.199 221 L CA -1.578 53.281 54.840 0.031 0.000 0.818 221 L CB 0.170 42.262 42.059 0.054 0.000 1.102 221 L HN 0.372 nan 8.230 nan 0.000 0.473 222 P HA -0.003 nan 4.420 nan 0.000 0.274 222 P C 0.339 177.692 177.300 0.089 0.000 1.256 222 P CA -0.351 62.786 63.100 0.061 0.000 0.795 222 P CB 0.473 32.200 31.700 0.045 0.000 1.038 223 F N 1.034 120.954 119.950 -0.050 0.000 2.269 223 F HA -0.141 4.383 4.527 -0.005 0.000 0.301 223 F C 2.164 177.931 175.800 -0.055 0.000 1.082 223 F CA 1.647 59.602 58.000 -0.074 0.000 1.360 223 F CB -0.285 38.638 39.000 -0.128 0.000 1.041 223 F HN 0.450 nan 8.300 nan 0.000 0.512 224 E N -0.158 119.996 120.200 -0.076 0.000 2.204 224 E HA -0.216 4.131 4.350 -0.005 0.000 0.195 224 E C 1.956 178.453 176.600 -0.171 0.000 0.990 224 E CA 1.520 57.834 56.400 -0.143 0.000 0.821 224 E CB -0.142 29.539 29.700 -0.033 0.000 0.750 224 E HN 0.373 nan 8.360 nan 0.000 0.477 225 M N 0.799 120.332 119.600 -0.111 0.000 2.476 225 M HA 0.017 4.494 4.480 -0.005 0.000 0.262 225 M C 0.089 176.318 176.300 -0.118 0.000 1.079 225 M CA 0.429 55.683 55.300 -0.077 0.000 1.104 225 M CB -0.941 31.654 32.600 -0.009 0.000 1.409 225 M HN -0.032 nan 8.290 nan 0.000 0.467 226 N N 2.275 120.835 118.700 -0.234 0.000 2.468 226 N HA 0.124 4.860 4.740 -0.005 0.000 0.265 226 N C -2.471 172.869 175.510 -0.283 0.000 1.199 226 N CA -0.757 52.151 53.050 -0.238 0.000 0.928 226 N CB 0.023 38.302 38.487 -0.346 0.000 1.059 226 N HN 0.003 nan 8.380 nan 0.000 0.467 227 P HA -0.033 nan 4.420 nan 0.000 0.263 227 P C -0.675 176.484 177.300 -0.235 0.000 1.175 227 P CA 0.441 63.404 63.100 -0.228 0.000 0.761 227 P CB 0.295 31.791 31.700 -0.341 0.000 0.794 228 K N 0.536 120.871 120.400 -0.109 0.000 2.610 228 K HA 0.730 5.047 4.320 -0.005 0.000 0.278 228 K C -2.178 174.518 176.600 0.159 0.000 0.964 228 K CA -1.052 55.218 56.287 -0.028 0.000 0.859 228 K CB 1.657 34.127 32.500 -0.050 0.000 1.434 228 K HN 0.212 nan 8.250 nan 0.000 0.410 229 V N 2.165 122.258 119.914 0.299 0.000 3.048 229 V HA 0.605 4.722 4.120 -0.005 0.000 0.303 229 V C -2.285 173.944 176.094 0.225 0.000 1.214 229 V CA -0.532 61.909 62.300 0.235 0.000 0.984 229 V CB 2.150 34.083 31.823 0.183 0.000 1.054 229 V HN 0.814 nan 8.190 nan 0.000 0.430 230 Y N 5.423 125.649 120.300 -0.123 0.000 2.406 230 Y HA 0.532 5.078 4.550 -0.005 0.000 0.340 230 Y C 0.356 176.088 175.900 -0.280 0.000 0.975 230 Y CA -0.891 56.934 58.100 -0.458 0.000 1.056 230 Y CB 1.534 39.474 38.460 -0.867 0.000 1.210 230 Y HN 0.838 nan 8.280 nan 0.000 0.448 231 N N 4.940 123.202 118.700 -0.729 0.000 2.669 231 N HA -0.152 4.585 4.740 -0.005 0.000 0.266 231 N C -2.740 172.624 175.510 -0.243 0.000 1.024 231 N CA 0.799 53.546 53.050 -0.506 0.000 0.766 231 N CB -0.863 37.217 38.487 -0.680 0.000 0.898 231 N HN 0.472 nan 8.380 nan 0.000 0.548 232 P HA -0.052 nan 4.420 nan 0.000 0.266 232 P C 0.851 178.086 177.300 -0.108 0.000 1.193 232 P CA 0.144 63.178 63.100 -0.109 0.000 0.770 232 P CB 0.726 32.357 31.700 -0.115 0.000 0.836 233 Q N 1.207 120.955 119.800 -0.088 0.000 2.181 233 Q HA -0.158 4.179 4.340 -0.005 0.000 0.205 233 Q C 2.072 178.029 176.000 -0.072 0.000 0.980 233 Q CA 2.088 57.849 55.803 -0.070 0.000 0.862 233 Q CB -0.356 28.350 28.738 -0.054 0.000 0.905 233 Q HN 0.666 nan 8.270 nan 0.000 0.429 234 S N -1.108 114.521 115.700 -0.118 0.000 2.423 234 S HA -0.009 4.457 4.470 -0.005 0.000 0.231 234 S C 1.617 176.194 174.600 -0.039 0.000 1.014 234 S CA 0.933 59.057 58.200 -0.127 0.000 0.965 234 S CB 0.058 63.042 63.200 -0.360 0.000 0.785 234 S HN 0.567 nan 8.310 nan 0.000 0.495 235 G N -0.026 108.748 108.800 -0.044 0.000 2.194 235 G HA2 -0.181 3.776 3.960 -0.005 0.000 0.236 235 G HA3 -0.181 3.776 3.960 -0.005 0.000 0.236 235 G C -0.075 174.911 174.900 0.142 0.000 0.987 235 G CA 0.318 45.448 45.100 0.050 0.000 0.635 235 G HN 1.370 nan 8.290 nan 0.000 0.520 236 Y N -1.300 119.001 120.300 0.002 0.000 2.624 236 Y HA 0.780 5.327 4.550 -0.006 0.000 0.334 236 Y C -1.092 174.832 175.900 0.040 0.000 1.155 236 Y CA -2.358 55.759 58.100 0.028 0.000 1.046 236 Y CB 0.938 39.411 38.460 0.023 0.000 1.316 236 Y HN 0.186 nan 8.280 nan 0.000 0.457 237 I N 2.807 123.495 120.570 0.196 0.000 2.418 237 I HA 0.814 4.981 4.170 -0.005 0.000 0.287 237 I C -0.673 175.596 176.117 0.253 0.000 1.008 237 I CA -0.980 60.398 61.300 0.130 0.000 1.104 237 I CB 1.876 40.000 38.000 0.207 0.000 1.264 237 I HN 0.900 nan 8.210 nan 0.000 0.438 238 A N 6.031 128.974 122.820 0.204 0.000 2.393 238 A HA 0.748 5.065 4.320 -0.005 0.000 0.306 238 A C -1.168 176.498 177.584 0.137 0.000 1.050 238 A CA -0.597 51.572 52.037 0.221 0.000 0.724 238 A CB 1.742 20.922 19.000 0.300 0.000 1.248 238 A HN 0.710 nan 8.150 nan 0.000 0.424 239 N N 1.532 120.321 118.700 0.149 0.000 2.369 239 N HA 0.236 4.973 4.740 -0.005 0.000 0.287 239 N C -1.880 173.806 175.510 0.293 0.000 1.067 239 N CA -0.183 52.989 53.050 0.204 0.000 0.888 239 N CB 1.760 40.412 38.487 0.275 0.000 1.616 239 N HN 0.719 nan 8.380 nan 0.000 0.482 240 W N 4.591 125.975 121.300 0.140 0.000 1.513 240 W HA 0.389 5.046 4.660 -0.005 0.000 0.311 240 W C -0.033 176.616 176.519 0.218 0.000 0.821 240 W CA -0.447 56.992 57.345 0.157 0.000 2.622 240 W CB -1.057 28.468 29.460 0.107 0.000 1.907 240 W HN 0.671 nan 8.180 nan 0.000 0.562 241 N N 1.295 120.330 118.700 0.557 0.000 2.829 241 N HA -0.203 4.533 4.740 -0.005 0.000 0.250 241 N C 0.094 175.980 175.510 0.626 0.000 1.090 241 N CA 1.319 54.752 53.050 0.639 0.000 0.781 241 N CB -1.564 37.300 38.487 0.629 0.000 1.124 241 N HN 0.477 nan 8.380 nan 0.000 0.559 242 N N -0.444 118.423 118.700 0.279 0.000 2.405 242 N HA 0.171 4.908 4.740 -0.005 0.000 0.269 242 N C 0.125 175.181 175.510 -0.756 0.000 1.249 242 N CA -0.270 52.700 53.050 -0.133 0.000 0.974 242 N CB 0.551 38.973 38.487 -0.108 0.000 1.204 242 N HN 0.065 nan 8.380 nan 0.000 0.565 243 S N -0.273 114.563 115.700 -1.441 0.000 2.533 243 S HA 0.130 4.596 4.470 -0.005 0.000 0.282 243 S C -1.446 172.746 174.600 -0.680 0.000 1.304 243 S CA -1.127 56.110 58.200 -1.606 0.000 1.063 243 S CB 0.228 62.865 63.200 -0.937 0.000 0.881 243 S HN 0.405 nan 8.310 nan 0.000 0.493 244 P HA -0.022 nan 4.420 nan 0.000 0.216 244 P C 0.062 177.253 177.300 -0.181 0.000 1.153 244 P CA 1.011 63.950 63.100 -0.267 0.000 0.848 244 P CB 0.146 31.554 31.700 -0.488 0.000 0.787 245 Q N -2.117 117.560 119.800 -0.206 0.000 2.522 245 Q HA 0.265 4.602 4.340 -0.005 0.000 0.285 245 Q C -1.066 174.928 176.000 -0.010 0.000 0.982 245 Q CA -0.960 54.792 55.803 -0.084 0.000 0.805 245 Q CB 1.715 30.402 28.738 -0.084 0.000 1.457 245 Q HN -0.283 nan 8.270 nan 0.000 0.394 246 K N 1.619 122.022 120.400 0.005 0.000 2.491 246 K HA -0.104 4.213 4.320 -0.005 0.000 0.279 246 K C -0.736 175.907 176.600 0.071 0.000 1.026 246 K CA 1.352 57.660 56.287 0.035 0.000 1.070 246 K CB 0.184 32.699 32.500 0.024 0.000 0.887 246 K HN 0.635 nan 8.250 nan 0.000 0.481 247 D N 1.316 121.772 120.400 0.093 0.000 3.006 247 D HA -0.260 4.377 4.640 -0.005 0.000 0.205 247 D C -0.861 175.513 176.300 0.124 0.000 1.075 247 D CA 0.914 54.971 54.000 0.095 0.000 1.000 247 D CB -1.470 39.368 40.800 0.063 0.000 1.097 247 D HN 0.558 nan 8.370 nan 0.000 0.426 248 Y N 2.306 122.631 120.300 0.041 0.000 2.336 248 Y HA 0.400 4.946 4.550 -0.005 0.000 0.335 248 Y C -1.908 174.113 175.900 0.202 0.000 1.046 248 Y CA -1.487 56.643 58.100 0.049 0.000 1.198 248 Y CB 0.919 39.347 38.460 -0.052 0.000 1.182 248 Y HN -0.170 nan 8.280 nan 0.000 0.502 249 P HA 0.339 nan 4.420 nan 0.000 0.279 249 P C -1.224 176.033 177.300 -0.072 0.000 1.239 249 P CA -0.329 62.698 63.100 -0.121 0.000 0.789 249 P CB 1.395 32.981 31.700 -0.190 0.000 0.933 250 A N 2.033 124.813 122.820 -0.068 0.000 2.256 250 A HA 0.510 4.827 4.320 -0.005 0.000 0.318 250 A C 0.601 178.064 177.584 -0.202 0.000 1.103 250 A CA -0.523 51.266 52.037 -0.413 0.000 0.860 250 A CB 0.121 18.577 19.000 -0.906 0.000 1.182 250 A HN 0.573 nan 8.150 nan 0.000 0.501 251 S N -0.966 114.604 115.700 -0.217 0.000 2.525 251 S HA -0.079 4.388 4.470 -0.005 0.000 0.282 251 S C 0.783 175.338 174.600 -0.075 0.000 1.324 251 S CA 0.861 58.994 58.200 -0.112 0.000 1.025 251 S CB 0.011 63.066 63.200 -0.242 0.000 0.820 251 S HN 0.784 nan 8.310 nan 0.000 0.514 252 D N 1.953 122.336 120.400 -0.028 0.000 2.340 252 D HA 0.090 4.726 4.640 -0.005 0.000 0.220 252 D C 0.410 176.703 176.300 -0.011 0.000 1.039 252 D CA -0.014 53.983 54.000 -0.004 0.000 0.866 252 D CB -0.498 40.315 40.800 0.020 0.000 0.913 252 D HN 0.436 nan 8.370 nan 0.000 0.523 253 L N 1.458 122.641 121.223 -0.066 0.000 2.601 253 L HA -0.012 4.325 4.340 -0.005 0.000 0.277 253 L C 1.250 178.037 176.870 -0.138 0.000 1.219 253 L CA -0.536 54.203 54.840 -0.167 0.000 0.915 253 L CB 0.182 42.115 42.059 -0.209 0.000 1.160 253 L HN 0.124 nan 8.230 nan 0.000 0.494 254 F N 2.032 121.911 119.950 -0.119 0.000 2.269 254 F HA -0.057 4.467 4.527 -0.005 0.000 0.301 254 F C 1.897 177.648 175.800 -0.082 0.000 1.082 254 F CA 0.848 58.794 58.000 -0.090 0.000 1.360 254 F CB -0.643 38.231 39.000 -0.211 0.000 1.041 254 F HN 0.418 nan 8.300 nan 0.000 0.512 255 A N -0.883 121.659 122.820 -0.463 0.000 2.238 255 A HA 0.183 4.499 4.320 -0.005 0.000 0.208 255 A C 0.017 177.535 177.584 -0.109 0.000 1.177 255 A CA -0.099 51.799 52.037 -0.232 0.000 0.804 255 A CB -1.116 17.602 19.000 -0.469 0.000 0.823 255 A HN 0.406 nan 8.150 nan 0.000 0.482 256 F N 0.084 119.882 119.950 -0.252 0.000 2.467 256 F HA 0.690 5.213 4.527 -0.005 0.000 0.336 256 F C -0.812 174.824 175.800 -0.273 0.000 1.123 256 F CA -1.029 56.789 58.000 -0.304 0.000 0.964 256 F CB 1.130 39.884 39.000 -0.410 0.000 1.136 256 F HN -0.058 nan 8.300 nan 0.000 0.447 257 L N 4.717 125.565 121.223 -0.623 0.000 2.424 257 L HA 0.405 4.742 4.340 -0.005 0.000 0.258 257 L C -1.630 174.982 176.870 -0.430 0.000 0.995 257 L CA -0.804 53.817 54.840 -0.365 0.000 0.821 257 L CB 2.414 44.404 42.059 -0.116 0.000 1.383 257 L HN 0.532 nan 8.230 nan 0.000 0.410 258 W N 2.016 123.247 121.300 -0.114 0.000 2.338 258 W HA 0.665 5.321 4.660 -0.006 0.000 0.315 258 W C 0.199 176.704 176.519 -0.024 0.000 1.005 258 W CA -0.976 56.327 57.345 -0.069 0.000 1.380 258 W CB 1.429 30.915 29.460 0.043 0.000 1.235 258 W HN 0.539 nan 8.180 nan 0.000 0.409 259 G N 0.278 109.173 108.800 0.158 0.000 3.211 259 G HA2 0.480 4.436 3.960 -0.005 0.000 0.262 259 G HA3 0.480 4.436 3.960 -0.005 0.000 0.262 259 G C 0.756 175.708 174.900 0.087 0.000 1.352 259 G CA -0.152 45.020 45.100 0.120 0.000 1.004 259 G HN 0.363 nan 8.290 nan 0.000 0.559 260 G N -0.491 108.383 108.800 0.125 0.000 2.448 260 G HA2 0.298 4.254 3.960 -0.005 0.000 0.219 260 G HA3 0.298 4.254 3.960 -0.005 0.000 0.219 260 G C 0.862 175.706 174.900 -0.094 0.000 1.127 260 G CA 1.462 46.636 45.100 0.124 0.000 0.766 260 G HN 1.101 nan 8.290 nan 0.000 0.552 261 A N 0.438 123.091 122.820 -0.278 0.000 2.279 261 A HA 0.555 4.872 4.320 -0.005 0.000 0.306 261 A C -0.835 176.593 177.584 -0.259 0.000 1.300 261 A CA -0.450 51.260 52.037 -0.545 0.000 0.925 261 A CB 0.489 19.060 19.000 -0.716 0.000 1.152 261 A HN 0.179 nan 8.150 nan 0.000 0.544 262 D N 2.172 122.440 120.400 -0.220 0.000 2.947 262 D HA 0.163 4.800 4.640 -0.005 0.000 0.224 262 D C 1.002 177.207 176.300 -0.158 0.000 1.230 262 D CA -0.478 53.434 54.000 -0.147 0.000 0.871 262 D CB 1.381 42.140 40.800 -0.069 0.000 1.671 262 D HN 0.625 nan 8.370 nan 0.000 0.507 263 R N 2.069 122.440 120.500 -0.216 0.000 2.237 263 R HA -0.044 4.292 4.340 -0.005 0.000 0.219 263 R C 1.586 177.888 176.300 0.004 0.000 1.080 263 R CA 0.636 56.584 56.100 -0.254 0.000 0.995 263 R CB -0.371 29.528 30.300 -0.668 0.000 0.875 263 R HN 0.213 nan 8.270 nan 0.000 0.462 264 V N 1.876 121.857 119.914 0.111 0.000 2.568 264 V HA -0.228 3.889 4.120 -0.005 0.000 0.253 264 V C 1.518 177.684 176.094 0.119 0.000 1.072 264 V CA 2.499 64.943 62.300 0.239 0.000 1.084 264 V CB -0.484 31.453 31.823 0.189 0.000 0.676 264 V HN 0.541 nan 8.190 nan 0.000 0.469 265 T N -0.078 114.494 114.554 0.030 0.000 2.822 265 T HA -0.173 4.174 4.350 -0.005 0.000 0.270 265 T C 1.711 176.398 174.700 -0.021 0.000 1.064 265 T CA 1.523 63.618 62.100 -0.009 0.000 1.131 265 T CB -0.284 68.552 68.868 -0.054 0.000 0.858 265 T HN 0.540 nan 8.240 nan 0.000 0.483 266 E N 0.701 120.905 120.200 0.007 0.000 2.150 266 E HA 0.014 4.361 4.350 -0.005 0.000 0.193 266 E C 2.139 178.694 176.600 -0.074 0.000 0.985 266 E CA 0.692 57.086 56.400 -0.011 0.000 0.814 266 E CB -0.236 29.515 29.700 0.085 0.000 0.752 266 E HN 0.555 nan 8.360 nan 0.000 0.466 267 I N 1.104 121.640 120.570 -0.055 0.000 2.339 267 I HA -0.181 3.985 4.170 -0.005 0.000 0.245 267 I C 1.819 177.783 176.117 -0.256 0.000 1.096 267 I CA 0.666 61.812 61.300 -0.257 0.000 1.408 267 I CB -0.177 37.692 38.000 -0.219 0.000 1.092 267 I HN -0.087 nan 8.210 nan 0.000 0.423 268 D N 1.631 121.969 120.400 -0.105 0.000 2.106 268 D HA -0.209 4.427 4.640 -0.005 0.000 0.191 268 D C 2.202 178.411 176.300 -0.151 0.000 0.997 268 D CA 1.547 55.499 54.000 -0.079 0.000 0.834 268 D CB -0.412 40.416 40.800 0.047 0.000 0.956 268 D HN 0.398 nan 8.370 nan 0.000 0.448 269 R N 0.730 121.155 120.500 -0.125 0.000 2.113 269 R HA -0.130 4.207 4.340 -0.005 0.000 0.244 269 R C 2.697 178.884 176.300 -0.189 0.000 1.142 269 R CA 1.101 57.122 56.100 -0.133 0.000 0.953 269 R CB -0.867 29.362 30.300 -0.117 0.000 0.860 269 R HN 0.234 nan 8.270 nan 0.000 0.438 270 L N 0.903 121.976 121.223 -0.249 0.000 2.093 270 L HA -0.114 4.223 4.340 -0.005 0.000 0.208 270 L C 2.434 179.100 176.870 -0.341 0.000 1.085 270 L CA 1.088 55.751 54.840 -0.296 0.000 0.755 270 L CB -0.445 41.397 42.059 -0.363 0.000 0.904 270 L HN 0.151 nan 8.230 nan 0.000 0.435 271 L N -0.852 120.106 121.223 -0.441 0.000 2.240 271 L HA -0.097 4.239 4.340 -0.005 0.000 0.211 271 L C 2.165 178.794 176.870 -0.402 0.000 1.106 271 L CA 0.862 55.382 54.840 -0.534 0.000 0.793 271 L CB -0.362 41.134 42.059 -0.938 0.000 0.927 271 L HN 0.231 nan 8.230 nan 0.000 0.446 272 E N -0.312 119.717 120.200 -0.286 0.000 2.435 272 E HA -0.145 4.201 4.350 -0.005 0.000 0.195 272 E C 2.026 178.557 176.600 -0.114 0.000 1.029 272 E CA 0.104 56.420 56.400 -0.140 0.000 0.865 272 E CB 0.189 29.855 29.700 -0.056 0.000 0.833 272 E HN 0.448 nan 8.360 nan 0.000 0.510 273 Q N 0.479 120.194 119.800 -0.142 0.000 2.167 273 Q HA -0.041 4.296 4.340 -0.005 0.000 0.202 273 Q C 0.163 176.103 176.000 -0.100 0.000 0.970 273 Q CA 0.989 56.722 55.803 -0.116 0.000 0.855 273 Q CB 0.353 29.010 28.738 -0.134 0.000 0.911 273 Q HN -0.071 nan 8.270 nan 0.000 0.438 274 K N -0.712 119.621 120.400 -0.111 0.000 2.324 274 K HA 0.193 4.510 4.320 -0.005 0.000 0.253 274 K C -2.091 174.466 176.600 -0.073 0.000 0.932 274 K CA -2.044 54.191 56.287 -0.087 0.000 0.799 274 K CB 1.800 34.243 32.500 -0.095 0.000 1.154 274 K HN -0.212 nan 8.250 nan 0.000 0.425 275 P HA -0.118 nan 4.420 nan 0.000 0.215 275 P C -0.402 176.881 177.300 -0.029 0.000 1.157 275 P CA 1.264 64.345 63.100 -0.032 0.000 0.868 275 P CB 0.365 32.051 31.700 -0.023 0.000 0.788 276 R N -1.399 119.082 120.500 -0.032 0.000 2.837 276 R HA 0.669 5.005 4.340 -0.005 0.000 0.271 276 R C -1.000 175.278 176.300 -0.037 0.000 0.993 276 R CA -0.969 55.116 56.100 -0.025 0.000 0.931 276 R CB 1.486 31.779 30.300 -0.012 0.000 1.206 276 R HN -0.114 nan 8.270 nan 0.000 0.474 277 L N 0.292 121.497 121.223 -0.030 0.000 2.370 277 L HA 0.478 4.815 4.340 -0.005 0.000 0.266 277 L C 0.369 177.234 176.870 -0.010 0.000 1.002 277 L CA -0.562 54.258 54.840 -0.034 0.000 0.818 277 L CB 2.165 44.196 42.059 -0.047 0.000 1.325 277 L HN 0.772 nan 8.230 nan 0.000 0.418 278 T N -1.490 113.056 114.554 -0.013 0.000 2.862 278 T HA 0.584 4.931 4.350 -0.005 0.000 0.276 278 T C 1.220 175.923 174.700 0.006 0.000 0.974 278 T CA -0.077 62.021 62.100 -0.004 0.000 0.966 278 T CB 1.315 70.173 68.868 -0.017 0.000 1.072 278 T HN 0.608 nan 8.240 nan 0.000 0.538 279 A N 0.730 123.552 122.820 0.003 0.000 1.865 279 A HA -0.123 4.194 4.320 -0.005 0.000 0.217 279 A C 2.058 179.625 177.584 -0.028 0.000 1.191 279 A CA 1.896 53.929 52.037 -0.006 0.000 0.623 279 A CB -1.221 17.757 19.000 -0.038 0.000 0.826 279 A HN 0.913 nan 8.150 nan 0.000 0.444 280 D N -0.468 119.889 120.400 -0.072 0.000 2.123 280 D HA -0.161 4.475 4.640 -0.005 0.000 0.196 280 D C 2.216 178.520 176.300 0.006 0.000 0.992 280 D CA 1.634 55.594 54.000 -0.066 0.000 0.833 280 D CB -0.388 40.356 40.800 -0.093 0.000 0.954 280 D HN 0.681 nan 8.370 nan 0.000 0.455 281 Q N 0.183 119.975 119.800 -0.012 0.000 2.172 281 Q HA 0.016 4.353 4.340 -0.005 0.000 0.200 281 Q C 2.178 178.175 176.000 -0.006 0.000 0.964 281 Q CA 1.133 56.919 55.803 -0.029 0.000 0.855 281 Q CB -0.024 28.680 28.738 -0.056 0.000 0.918 281 Q HN 0.196 nan 8.270 nan 0.000 0.444 282 A N 0.957 123.815 122.820 0.065 0.000 1.930 282 A HA -0.173 4.144 4.320 -0.005 0.000 0.217 282 A C 1.722 179.483 177.584 0.295 0.000 1.175 282 A CA 0.816 52.964 52.037 0.184 0.000 0.627 282 A CB -0.935 18.207 19.000 0.236 0.000 0.815 282 A HN 0.673 nan 8.150 nan 0.000 0.443 283 W N 0.887 122.191 121.300 0.006 0.000 2.388 283 W HA -0.160 4.497 4.660 -0.005 0.000 0.294 283 W C 1.293 177.783 176.519 -0.048 0.000 1.212 283 W CA 1.942 59.266 57.345 -0.035 0.000 1.271 283 W CB -0.302 29.055 29.460 -0.171 0.000 1.126 283 W HN 0.494 nan 8.180 nan 0.000 0.535 284 D N 0.186 120.592 120.400 0.011 0.000 2.265 284 D HA -0.169 4.468 4.640 -0.005 0.000 0.208 284 D C 2.101 178.248 176.300 -0.255 0.000 0.977 284 D CA 1.084 54.995 54.000 -0.148 0.000 0.871 284 D CB -0.063 40.675 40.800 -0.103 0.000 0.925 284 D HN -0.059 nan 8.370 nan 0.000 0.485 285 V N 0.337 120.109 119.914 -0.236 0.000 2.594 285 V HA -0.218 3.898 4.120 -0.005 0.000 0.253 285 V C 2.332 178.231 176.094 -0.325 0.000 1.069 285 V CA 1.026 63.082 62.300 -0.407 0.000 1.082 285 V CB -0.376 30.949 31.823 -0.829 0.000 0.680 285 V HN 0.326 nan 8.190 nan 0.000 0.469 286 I N -0.044 120.414 120.570 -0.186 0.000 2.179 286 I HA -0.273 3.894 4.170 -0.005 0.000 0.242 286 I C 2.728 178.656 176.117 -0.315 0.000 1.088 286 I CA 2.012 63.183 61.300 -0.215 0.000 1.357 286 I CB -0.436 37.280 38.000 -0.473 0.000 1.051 286 I HN 0.219 nan 8.210 nan 0.000 0.409 287 R N 0.867 121.025 120.500 -0.571 0.000 2.075 287 R HA -0.205 4.132 4.340 -0.005 0.000 0.232 287 R C 2.292 178.348 176.300 -0.408 0.000 1.126 287 R CA 1.600 57.202 56.100 -0.830 0.000 0.963 287 R CB -0.141 29.448 30.300 -1.185 0.000 0.858 287 R HN 0.394 nan 8.270 nan 0.000 0.435 288 Q N -0.307 119.296 119.800 -0.327 0.000 2.020 288 Q HA -0.148 4.189 4.340 -0.005 0.000 0.202 288 Q C 2.185 178.087 176.000 -0.163 0.000 0.982 288 Q CA 2.537 58.200 55.803 -0.233 0.000 0.838 288 Q CB -0.198 28.390 28.738 -0.249 0.000 0.899 288 Q HN 0.555 nan 8.270 nan 0.000 0.423 289 T N -2.105 112.345 114.554 -0.173 0.000 2.867 289 T HA -0.068 4.278 4.350 -0.005 0.000 0.268 289 T C 2.055 176.799 174.700 0.074 0.000 1.057 289 T CA 1.290 63.359 62.100 -0.052 0.000 1.136 289 T CB -0.277 68.493 68.868 -0.164 0.000 0.874 289 T HN 0.015 nan 8.240 nan 0.000 0.466 290 S N 1.377 117.095 115.700 0.031 0.000 2.383 290 S HA -0.019 4.447 4.470 -0.005 0.000 0.229 290 S C 2.055 176.739 174.600 0.140 0.000 1.030 290 S CA 1.052 59.319 58.200 0.110 0.000 1.002 290 S CB -0.241 63.041 63.200 0.137 0.000 0.829 290 S HN 0.569 nan 8.310 nan 0.000 0.467 291 R N 0.151 120.695 120.500 0.073 0.000 2.362 291 R HA 0.210 4.547 4.340 -0.005 0.000 0.227 291 R C 0.252 176.545 176.300 -0.011 0.000 0.905 291 R CA -0.094 56.044 56.100 0.063 0.000 1.067 291 R CB 0.274 30.589 30.300 0.025 0.000 1.078 291 R HN 0.195 nan 8.270 nan 0.000 0.516 292 Q N 1.844 121.640 119.800 -0.007 0.000 2.279 292 Q HA 0.012 4.348 4.340 -0.005 0.000 0.256 292 Q C -0.782 175.177 176.000 -0.068 0.000 0.937 292 Q CA -0.182 55.569 55.803 -0.086 0.000 0.933 292 Q CB 0.990 29.685 28.738 -0.072 0.000 1.189 292 Q HN -0.010 nan 8.270 nan 0.000 0.417 293 D N 4.287 124.596 120.400 -0.151 0.000 2.425 293 D HA -0.025 4.612 4.640 -0.005 0.000 0.247 293 D C 0.294 176.557 176.300 -0.061 0.000 1.147 293 D CA 0.142 54.117 54.000 -0.042 0.000 0.879 293 D CB 0.882 41.696 40.800 0.023 0.000 1.179 293 D HN 0.794 nan 8.370 nan 0.000 0.456 294 L N 3.447 124.642 121.223 -0.045 0.000 2.492 294 L HA -0.020 4.317 4.340 -0.005 0.000 0.223 294 L C 1.373 178.223 176.870 -0.033 0.000 1.132 294 L CA 0.395 55.184 54.840 -0.086 0.000 0.850 294 L CB -0.236 41.728 42.059 -0.158 0.000 0.966 294 L HN 0.348 nan 8.230 nan 0.000 0.454 295 N N -0.585 118.172 118.700 0.095 0.000 2.356 295 N HA -0.034 4.703 4.740 -0.005 0.000 0.178 295 N C 1.545 177.205 175.510 0.250 0.000 1.075 295 N CA -0.064 53.135 53.050 0.248 0.000 0.889 295 N CB 0.223 38.992 38.487 0.470 0.000 0.999 295 N HN 0.046 nan 8.380 nan 0.000 0.464 296 L N 1.705 123.012 121.223 0.140 0.000 1.990 296 L HA -0.113 4.224 4.340 -0.005 0.000 0.213 296 L C 2.248 179.144 176.870 0.044 0.000 1.072 296 L CA 1.779 56.680 54.840 0.102 0.000 0.755 296 L CB -0.454 41.568 42.059 -0.062 0.000 0.889 296 L HN 0.072 nan 8.230 nan 0.000 0.432 297 R N -0.807 119.667 120.500 -0.042 0.000 2.103 297 R HA -0.191 4.146 4.340 -0.005 0.000 0.242 297 R C 2.290 178.540 176.300 -0.083 0.000 1.142 297 R CA 2.094 58.149 56.100 -0.074 0.000 0.960 297 R CB -0.372 29.861 30.300 -0.113 0.000 0.858 297 R HN 0.483 nan 8.270 nan 0.000 0.439 298 L N -1.001 120.123 121.223 -0.166 0.000 2.056 298 L HA -0.109 4.228 4.340 -0.005 0.000 0.207 298 L C 1.370 178.043 176.870 -0.329 0.000 1.078 298 L CA 1.254 55.861 54.840 -0.388 0.000 0.749 298 L CB -0.142 41.420 42.059 -0.827 0.000 0.901 298 L HN 0.187 nan 8.230 nan 0.000 0.433 299 F N -2.257 117.803 119.950 0.184 0.000 2.706 299 F HA 0.131 4.655 4.527 -0.005 0.000 0.313 299 F C 1.571 177.378 175.800 0.012 0.000 1.096 299 F CA -0.332 57.776 58.000 0.180 0.000 1.219 299 F CB 0.006 39.189 39.000 0.304 0.000 1.051 299 F HN -0.151 nan 8.300 nan 0.000 0.568 300 L N 2.462 123.763 121.223 0.129 0.000 2.017 300 L HA -0.006 4.331 4.340 -0.005 0.000 0.208 300 L C -0.672 176.212 176.870 0.024 0.000 1.073 300 L CA 2.229 57.094 54.840 0.041 0.000 0.745 300 L CB -1.548 40.528 42.059 0.029 0.000 0.894 300 L HN -0.125 nan 8.230 nan 0.000 0.432 301 P HA -0.141 nan 4.420 nan 0.000 0.216 301 P C 1.613 178.937 177.300 0.040 0.000 1.153 301 P CA 1.887 65.005 63.100 0.029 0.000 0.858 301 P CB -0.254 31.464 31.700 0.029 0.000 0.789 302 T N -0.333 114.275 114.554 0.090 0.000 2.788 302 T HA -0.076 4.271 4.350 -0.005 0.000 0.268 302 T C 1.734 176.467 174.700 0.055 0.000 1.044 302 T CA 1.076 63.244 62.100 0.114 0.000 1.139 302 T CB -0.835 68.195 68.868 0.271 0.000 0.867 302 T HN 0.061 nan 8.240 nan 0.000 0.454 303 L N 0.521 121.729 121.223 -0.026 0.000 2.093 303 L HA -0.090 4.247 4.340 -0.005 0.000 0.208 303 L C 2.860 179.688 176.870 -0.070 0.000 1.085 303 L CA 1.260 56.024 54.840 -0.127 0.000 0.755 303 L CB -0.513 41.369 42.059 -0.295 0.000 0.904 303 L HN 0.276 nan 8.230 nan 0.000 0.435 304 Q N -0.217 119.556 119.800 -0.044 0.000 2.046 304 Q HA -0.165 4.172 4.340 -0.005 0.000 0.200 304 Q C 2.504 178.490 176.000 -0.023 0.000 0.975 304 Q CA 1.533 57.316 55.803 -0.033 0.000 0.836 304 Q CB -0.294 28.431 28.738 -0.022 0.000 0.896 304 Q HN 0.547 nan 8.270 nan 0.000 0.428 305 A N 1.216 124.030 122.820 -0.011 0.000 1.883 305 A HA -0.164 4.152 4.320 -0.005 0.000 0.217 305 A C 2.258 179.835 177.584 -0.011 0.000 1.186 305 A CA 1.784 53.816 52.037 -0.010 0.000 0.624 305 A CB -0.806 18.192 19.000 -0.004 0.000 0.822 305 A HN 0.405 nan 8.150 nan 0.000 0.444 306 A N -0.854 121.964 122.820 -0.003 0.000 2.119 306 A HA 0.073 4.390 4.320 -0.005 0.000 0.217 306 A C 2.034 179.614 177.584 -0.008 0.000 1.153 306 A CA 1.975 54.013 52.037 0.002 0.000 0.692 306 A CB -0.746 18.273 19.000 0.032 0.000 0.799 306 A HN 0.788 nan 8.150 nan 0.000 0.458 307 T N -2.960 111.581 114.554 -0.021 0.000 3.085 307 T HA 0.100 4.446 4.350 -0.005 0.000 0.264 307 T C 1.589 176.268 174.700 -0.035 0.000 1.019 307 T CA 0.785 62.866 62.100 -0.032 0.000 0.910 307 T CB -0.237 68.603 68.868 -0.048 0.000 1.059 307 T HN 0.493 nan 8.240 nan 0.000 0.542 308 S N 1.362 117.045 115.700 -0.029 0.000 2.399 308 S HA 0.062 4.529 4.470 -0.005 0.000 0.231 308 S C 2.017 176.600 174.600 -0.028 0.000 1.022 308 S CA 0.914 59.097 58.200 -0.028 0.000 0.983 308 S CB -0.947 62.239 63.200 -0.023 0.000 0.803 308 S HN 0.617 nan 8.310 nan 0.000 0.480 309 G N 0.757 109.542 108.800 -0.026 0.000 3.434 309 G HA2 0.475 4.432 3.960 -0.005 0.000 0.258 309 G HA3 0.475 4.432 3.960 -0.005 0.000 0.258 309 G C 0.135 175.018 174.900 -0.029 0.000 1.128 309 G CA -0.510 44.575 45.100 -0.025 0.000 0.792 309 G HN 0.400 nan 8.290 nan 0.000 0.539 310 L N 1.510 122.712 121.223 -0.035 0.000 2.379 310 L HA 0.390 4.726 4.340 -0.005 0.000 0.269 310 L C 1.172 178.013 176.870 -0.049 0.000 1.084 310 L CA -0.770 54.044 54.840 -0.043 0.000 0.802 310 L CB 1.401 43.428 42.059 -0.053 0.000 1.175 310 L HN 0.144 nan 8.230 nan 0.000 0.448 311 T N -1.960 112.562 114.554 -0.053 0.000 2.828 311 T HA 0.041 4.387 4.350 -0.005 0.000 0.290 311 T C 0.715 175.373 174.700 -0.070 0.000 1.019 311 T CA -0.467 61.601 62.100 -0.055 0.000 1.031 311 T CB 1.228 70.066 68.868 -0.050 0.000 1.001 311 T HN 0.693 nan 8.240 nan 0.000 0.531 312 Q N 0.886 120.647 119.800 -0.065 0.000 2.181 312 Q HA -0.151 4.186 4.340 -0.005 0.000 0.205 312 Q C 1.940 177.883 176.000 -0.095 0.000 0.980 312 Q CA 1.993 57.752 55.803 -0.073 0.000 0.862 312 Q CB -0.397 28.306 28.738 -0.059 0.000 0.905 312 Q HN 0.875 nan 8.270 nan 0.000 0.429 313 S N -0.896 114.749 115.700 -0.092 0.000 2.556 313 S HA 0.060 4.527 4.470 -0.005 0.000 0.216 313 S C 0.164 174.672 174.600 -0.154 0.000 0.970 313 S CA -0.276 57.857 58.200 -0.111 0.000 0.912 313 S CB 0.235 63.389 63.200 -0.078 0.000 0.790 313 S HN 0.304 nan 8.310 nan 0.000 0.504 314 D N 3.243 123.550 120.400 -0.154 0.000 2.343 314 D HA 0.219 4.856 4.640 -0.005 0.000 0.255 314 D C -1.611 174.508 176.300 -0.301 0.000 1.187 314 D CA -1.918 51.966 54.000 -0.193 0.000 0.875 314 D CB 1.758 42.474 40.800 -0.138 0.000 1.136 314 D HN 0.055 nan 8.370 nan 0.000 0.469 315 P HA -0.093 nan 4.420 nan 0.000 0.218 315 P C 1.144 178.119 177.300 -0.542 0.000 1.149 315 P CA 0.990 63.580 63.100 -0.850 0.000 0.817 315 P CB 0.320 30.914 31.700 -1.844 0.000 0.785 316 R N -0.256 120.056 120.500 -0.313 0.000 2.105 316 R HA -0.105 4.232 4.340 -0.005 0.000 0.239 316 R C 2.570 178.800 176.300 -0.117 0.000 1.135 316 R CA 1.431 57.458 56.100 -0.122 0.000 0.967 316 R CB -0.613 29.657 30.300 -0.050 0.000 0.861 316 R HN 0.140 nan 8.270 nan 0.000 0.442 317 R N 1.000 121.414 120.500 -0.144 0.000 2.115 317 R HA -0.108 4.229 4.340 -0.005 0.000 0.226 317 R C 1.942 178.162 176.300 -0.132 0.000 1.100 317 R CA 1.350 57.379 56.100 -0.118 0.000 0.980 317 R CB 0.112 30.348 30.300 -0.108 0.000 0.875 317 R HN 0.270 nan 8.270 nan 0.000 0.445 318 Q N 0.114 119.803 119.800 -0.185 0.000 2.230 318 Q HA -0.061 4.276 4.340 -0.005 0.000 0.202 318 Q C 2.094 178.005 176.000 -0.148 0.000 0.963 318 Q CA 1.041 56.739 55.803 -0.176 0.000 0.866 318 Q CB 0.071 28.669 28.738 -0.232 0.000 0.931 318 Q HN 0.375 nan 8.270 nan 0.000 0.452 319 L N -0.196 120.956 121.223 -0.118 0.000 2.042 319 L HA -0.214 4.123 4.340 -0.005 0.000 0.210 319 L C 2.199 179.026 176.870 -0.071 0.000 1.076 319 L CA 1.005 55.813 54.840 -0.054 0.000 0.749 319 L CB -0.463 41.624 42.059 0.046 0.000 0.893 319 L HN 0.138 nan 8.230 nan 0.000 0.432 320 V N -0.579 119.284 119.914 -0.084 0.000 2.548 320 V HA -0.187 3.930 4.120 -0.005 0.000 0.249 320 V C 2.324 178.380 176.094 -0.063 0.000 1.055 320 V CA 1.396 63.645 62.300 -0.083 0.000 1.065 320 V CB -0.444 31.323 31.823 -0.093 0.000 0.681 320 V HN 0.453 nan 8.190 nan 0.000 0.462 321 E N 0.150 120.307 120.200 -0.072 0.000 2.107 321 E HA -0.151 4.196 4.350 -0.005 0.000 0.191 321 E C 2.285 178.852 176.600 -0.054 0.000 0.982 321 E CA 1.657 58.021 56.400 -0.060 0.000 0.809 321 E CB -0.326 29.330 29.700 -0.073 0.000 0.756 321 E HN 0.584 nan 8.360 nan 0.000 0.459 322 T N 2.381 116.885 114.554 -0.082 0.000 2.635 322 T HA -0.176 4.171 4.350 -0.005 0.000 0.267 322 T C 2.078 176.759 174.700 -0.032 0.000 1.040 322 T CA 1.053 63.096 62.100 -0.095 0.000 1.156 322 T CB -0.341 68.430 68.868 -0.161 0.000 0.863 322 T HN 0.099 nan 8.240 nan 0.000 0.430 323 L N 0.642 121.864 121.223 -0.001 0.000 2.042 323 L HA -0.136 4.201 4.340 -0.005 0.000 0.210 323 L C 2.897 179.855 176.870 0.147 0.000 1.076 323 L CA 1.298 56.210 54.840 0.120 0.000 0.749 323 L CB -1.100 41.008 42.059 0.082 0.000 0.893 323 L HN 0.307 nan 8.230 nan 0.000 0.432 324 T N -1.023 113.567 114.554 0.059 0.000 2.915 324 T HA -0.136 4.211 4.350 -0.005 0.000 0.269 324 T C 1.937 176.671 174.700 0.056 0.000 1.071 324 T CA 0.985 63.110 62.100 0.042 0.000 1.132 324 T CB -0.134 68.735 68.868 0.003 0.000 0.878 324 T HN 0.269 nan 8.240 nan 0.000 0.479 325 R N -0.948 119.593 120.500 0.069 0.000 2.299 325 R HA 0.077 4.414 4.340 -0.005 0.000 0.197 325 R C 0.137 176.527 176.300 0.151 0.000 0.971 325 R CA -0.052 56.090 56.100 0.069 0.000 1.030 325 R CB 0.200 30.518 30.300 0.031 0.000 0.932 325 R HN 0.302 nan 8.270 nan 0.000 0.477 326 W N 1.985 123.256 121.300 -0.047 0.000 2.449 326 W HA 0.093 4.750 4.660 -0.005 0.000 0.331 326 W C 0.116 176.606 176.519 -0.049 0.000 1.119 326 W CA -1.476 55.840 57.345 -0.049 0.000 1.240 326 W CB 1.027 30.457 29.460 -0.049 0.000 1.251 326 W HN 0.051 nan 8.180 nan 0.000 0.576 327 D N 1.306 121.546 120.400 -0.267 0.000 2.349 327 D HA 0.184 4.821 4.640 -0.005 0.000 0.214 327 D C 1.572 177.417 176.300 -0.759 0.000 1.063 327 D CA 0.489 54.262 54.000 -0.378 0.000 0.847 327 D CB -0.058 40.602 40.800 -0.234 0.000 0.933 327 D HN 0.716 nan 8.370 nan 0.000 0.513 328 G N 0.203 107.955 108.800 -1.746 0.000 2.176 328 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.253 328 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.253 328 G C -0.034 174.214 174.900 -1.085 0.000 0.979 328 G CA 0.082 43.977 45.100 -2.008 0.000 0.641 328 G HN 0.324 nan 8.290 nan 0.000 0.530 329 I N 1.873 122.052 120.570 -0.651 0.000 2.379 329 I HA 0.210 4.377 4.170 -0.005 0.000 0.290 329 I C 0.173 176.261 176.117 -0.048 0.000 1.063 329 I CA -0.948 60.200 61.300 -0.254 0.000 1.351 329 I CB 0.385 38.285 38.000 -0.167 0.000 1.410 329 I HN 0.030 nan 8.210 nan 0.000 0.505 330 N N 7.590 126.230 118.700 -0.099 0.000 2.458 330 N HA 0.405 5.142 4.740 -0.005 0.000 0.270 330 N C -0.538 174.947 175.510 -0.042 0.000 1.102 330 N CA -0.145 52.754 53.050 -0.252 0.000 0.967 330 N CB 1.509 39.431 38.487 -0.941 0.000 1.078 330 N HN 0.426 nan 8.380 nan 0.000 0.471 331 L N 2.145 123.425 121.223 0.096 0.000 2.354 331 L HA 0.485 4.822 4.340 -0.005 0.000 0.269 331 L C 0.182 177.287 176.870 0.391 0.000 1.005 331 L CA -0.835 54.139 54.840 0.224 0.000 0.819 331 L CB 2.004 44.154 42.059 0.151 0.000 1.311 331 L HN 0.211 nan 8.230 nan 0.000 0.423 332 L N 2.288 123.720 121.223 0.347 0.000 2.439 332 L HA 0.185 4.522 4.340 -0.005 0.000 0.269 332 L C 0.492 177.469 176.870 0.178 0.000 1.179 332 L CA -0.269 54.736 54.840 0.274 0.000 0.828 332 L CB 0.459 42.621 42.059 0.172 0.000 1.106 332 L HN 0.637 nan 8.230 nan 0.000 0.467 333 N N 1.121 119.903 118.700 0.136 0.000 2.294 333 N HA -0.037 4.700 4.740 -0.005 0.000 0.248 333 N C 0.501 176.050 175.510 0.065 0.000 1.300 333 N CA -0.315 52.788 53.050 0.088 0.000 0.925 333 N CB 0.418 38.944 38.487 0.066 0.000 1.188 333 N HN 0.487 nan 8.380 nan 0.000 0.512 334 D N -0.042 120.387 120.400 0.049 0.000 2.263 334 D HA -0.147 4.489 4.640 -0.005 0.000 0.208 334 D C 0.871 177.188 176.300 0.027 0.000 0.971 334 D CA 0.922 54.944 54.000 0.038 0.000 0.867 334 D CB -0.208 40.610 40.800 0.031 0.000 0.929 334 D HN 0.594 nan 8.370 nan 0.000 0.492 335 D N -0.247 120.166 120.400 0.022 0.000 2.348 335 D HA -0.004 4.633 4.640 -0.005 0.000 0.216 335 D C 1.613 177.914 176.300 0.003 0.000 0.970 335 D CA 0.928 54.933 54.000 0.009 0.000 0.889 335 D CB -0.587 40.215 40.800 0.003 0.000 0.912 335 D HN 0.174 nan 8.370 nan 0.000 0.524 336 G N 1.141 109.947 108.800 0.009 0.000 2.168 336 G HA2 -0.374 3.583 3.960 -0.005 0.000 0.257 336 G HA3 -0.374 3.583 3.960 -0.005 0.000 0.257 336 G C 0.706 175.585 174.900 -0.034 0.000 0.997 336 G CA 0.876 45.976 45.100 0.000 0.000 0.708 336 G HN 0.658 nan 8.290 nan 0.000 0.520 337 K N -1.522 118.846 120.400 -0.053 0.000 2.608 337 K HA 0.285 4.601 4.320 -0.005 0.000 0.214 337 K C 0.487 176.990 176.600 -0.161 0.000 1.469 337 K CA 0.525 56.748 56.287 -0.107 0.000 1.012 337 K CB 0.474 32.925 32.500 -0.082 0.000 1.211 337 K HN 0.701 nan 8.250 nan 0.000 0.627 338 T N -2.219 112.269 114.554 -0.110 0.000 2.907 338 T HA 0.462 4.809 4.350 -0.005 0.000 0.292 338 T C -0.916 173.785 174.700 0.001 0.000 1.043 338 T CA -0.735 61.305 62.100 -0.100 0.000 1.003 338 T CB 1.425 70.275 68.868 -0.030 0.000 1.084 338 T HN 0.142 nan 8.240 nan 0.000 0.483 339 W N 1.319 122.623 121.300 0.006 0.000 2.303 339 W HA 0.351 5.008 4.660 -0.006 0.000 0.334 339 W C 1.624 178.139 176.519 -0.006 0.000 1.197 339 W CA -0.977 56.380 57.345 0.021 0.000 1.262 339 W CB 0.740 30.221 29.460 0.034 0.000 1.153 339 W HN 0.924 nan 8.180 nan 0.000 0.596 340 Q N 0.379 120.337 119.800 0.262 0.000 2.167 340 Q HA -0.145 4.192 4.340 -0.005 0.000 0.202 340 Q C 0.322 176.337 176.000 0.025 0.000 0.970 340 Q CA 1.081 56.956 55.803 0.120 0.000 0.855 340 Q CB 0.273 29.078 28.738 0.113 0.000 0.911 340 Q HN 0.284 nan 8.270 nan 0.000 0.438 341 Q N -0.767 119.000 119.800 -0.054 0.000 2.413 341 Q HA 0.238 4.575 4.340 -0.005 0.000 0.276 341 Q C -2.108 173.709 176.000 -0.305 0.000 1.099 341 Q CA -1.963 53.673 55.803 -0.279 0.000 0.814 341 Q CB 1.397 29.757 28.738 -0.630 0.000 1.379 341 Q HN -0.067 nan 8.270 nan 0.000 0.436 342 P HA 0.055 nan 4.420 nan 0.000 0.255 342 P C 1.048 178.182 177.300 -0.276 0.000 1.248 342 P CA 0.367 63.377 63.100 -0.149 0.000 0.807 342 P CB 0.210 31.977 31.700 0.111 0.000 1.150 343 G N 1.164 109.526 108.800 -0.730 0.000 2.556 343 G HA2 -0.329 3.628 3.960 -0.005 0.000 0.220 343 G HA3 -0.329 3.628 3.960 -0.005 0.000 0.220 343 G C 1.657 176.427 174.900 -0.218 0.000 1.156 343 G CA 1.228 45.844 45.100 -0.806 0.000 0.766 343 G HN 0.261 nan 8.290 nan 0.000 0.583 344 S N 0.809 116.431 115.700 -0.129 0.000 2.402 344 S HA 0.111 4.578 4.470 -0.005 0.000 0.229 344 S C 2.748 177.248 174.600 -0.167 0.000 1.021 344 S CA 1.091 59.306 58.200 0.026 0.000 0.974 344 S CB -0.278 63.009 63.200 0.146 0.000 0.800 344 S HN 0.647 nan 8.310 nan 0.000 0.484 345 A N 1.638 124.429 122.820 -0.050 0.000 1.898 345 A HA 0.001 4.318 4.320 -0.005 0.000 0.216 345 A C 2.032 179.614 177.584 -0.004 0.000 1.181 345 A CA 1.023 53.041 52.037 -0.033 0.000 0.620 345 A CB -0.663 18.359 19.000 0.035 0.000 0.819 345 A HN 0.471 nan 8.150 nan 0.000 0.442 346 I N -0.358 120.247 120.570 0.058 0.000 2.179 346 I HA -0.276 3.891 4.170 -0.005 0.000 0.242 346 I C 2.392 178.595 176.117 0.144 0.000 1.088 346 I CA 1.250 62.629 61.300 0.131 0.000 1.357 346 I CB -0.424 37.649 38.000 0.122 0.000 1.051 346 I HN 0.281 nan 8.210 nan 0.000 0.409 347 L N 0.461 121.750 121.223 0.110 0.000 2.046 347 L HA -0.250 4.087 4.340 -0.005 0.000 0.208 347 L C 2.437 179.418 176.870 0.185 0.000 1.077 347 L CA 1.652 56.627 54.840 0.225 0.000 0.747 347 L CB -0.854 41.394 42.059 0.314 0.000 0.896 347 L HN 0.418 nan 8.230 nan 0.000 0.432 348 N N 0.163 118.758 118.700 -0.175 0.000 2.043 348 N HA -0.183 4.554 4.740 -0.005 0.000 0.193 348 N C 1.819 177.351 175.510 0.038 0.000 1.037 348 N CA 1.782 54.713 53.050 -0.198 0.000 0.851 348 N CB 0.122 38.302 38.487 -0.511 0.000 1.027 348 N HN 0.079 nan 8.380 nan 0.000 0.422 349 V N -0.011 119.937 119.914 0.057 0.000 2.358 349 V HA -0.183 3.933 4.120 -0.005 0.000 0.246 349 V C 1.987 178.172 176.094 0.151 0.000 1.047 349 V CA 1.749 64.105 62.300 0.093 0.000 1.035 349 V CB -0.990 30.887 31.823 0.090 0.000 0.658 349 V HN 0.517 nan 8.190 nan 0.000 0.452 350 W N 0.441 121.758 121.300 0.028 0.000 2.318 350 W HA -0.238 4.419 4.660 -0.006 0.000 0.313 350 W C 2.145 178.659 176.519 -0.008 0.000 1.221 350 W CA 1.795 59.155 57.345 0.026 0.000 1.266 350 W CB -0.457 29.024 29.460 0.035 0.000 1.150 350 W HN 0.162 nan 8.180 nan 0.000 0.496 351 L N 0.540 121.776 121.223 0.021 0.000 2.046 351 L HA -0.164 4.173 4.340 -0.005 0.000 0.208 351 L C 2.460 179.211 176.870 -0.198 0.000 1.077 351 L CA 2.600 57.300 54.840 -0.234 0.000 0.747 351 L CB -1.418 40.668 42.059 0.044 0.000 0.896 351 L HN -0.030 nan 8.230 nan 0.000 0.432 352 T N -1.991 112.527 114.554 -0.059 0.000 2.746 352 T HA -0.183 4.164 4.350 -0.005 0.000 0.267 352 T C 2.111 176.751 174.700 -0.100 0.000 1.039 352 T CA 1.549 63.623 62.100 -0.043 0.000 1.142 352 T CB -0.300 68.573 68.868 0.008 0.000 0.866 352 T HN 0.374 nan 8.240 nan 0.000 0.444 353 S N 0.462 116.081 115.700 -0.135 0.000 2.368 353 S HA -0.053 4.414 4.470 -0.005 0.000 0.224 353 S C 2.124 176.584 174.600 -0.232 0.000 1.029 353 S CA 0.748 58.861 58.200 -0.144 0.000 0.988 353 S CB -0.323 62.821 63.200 -0.093 0.000 0.838 353 S HN 0.181 nan 8.310 nan 0.000 0.462 354 M N 0.959 120.292 119.600 -0.445 0.000 2.159 354 M HA 0.030 4.507 4.480 -0.005 0.000 0.263 354 M C 2.033 178.154 176.300 -0.300 0.000 1.063 354 M CA 1.203 56.209 55.300 -0.490 0.000 1.110 354 M CB -1.326 30.694 32.600 -0.966 0.000 1.374 354 M HN 0.374 nan 8.290 nan 0.000 0.411 355 L N -0.659 120.419 121.223 -0.242 0.000 2.109 355 L HA -0.182 4.155 4.340 -0.005 0.000 0.207 355 L C 2.508 179.321 176.870 -0.094 0.000 1.086 355 L CA 0.988 55.746 54.840 -0.136 0.000 0.760 355 L CB -0.567 41.453 42.059 -0.065 0.000 0.910 355 L HN 0.286 nan 8.230 nan 0.000 0.437 356 K N 0.558 120.906 120.400 -0.087 0.000 2.148 356 K HA -0.156 4.160 4.320 -0.005 0.000 0.204 356 K C 2.176 178.737 176.600 -0.066 0.000 1.050 356 K CA 1.213 57.465 56.287 -0.058 0.000 0.942 356 K CB 0.107 32.578 32.500 -0.047 0.000 0.724 356 K HN 0.205 nan 8.250 nan 0.000 0.446 357 R N -0.243 120.206 120.500 -0.085 0.000 2.193 357 R HA -0.030 4.306 4.340 -0.005 0.000 0.213 357 R C 1.962 178.202 176.300 -0.100 0.000 1.055 357 R CA 1.517 57.574 56.100 -0.070 0.000 0.995 357 R CB 0.139 30.408 30.300 -0.053 0.000 0.893 357 R HN 0.442 nan 8.270 nan 0.000 0.459 358 T N -3.069 111.394 114.554 -0.153 0.000 3.479 358 T HA 0.077 4.424 4.350 -0.005 0.000 0.197 358 T C 1.849 176.433 174.700 -0.194 0.000 0.912 358 T CA 0.187 62.145 62.100 -0.236 0.000 1.281 358 T CB -0.632 68.010 68.868 -0.377 0.000 1.588 358 T HN -0.144 nan 8.240 nan 0.000 0.389 359 V N 2.313 122.121 119.914 -0.176 0.000 2.287 359 V HA -0.131 3.986 4.120 -0.005 0.000 0.248 359 V C 2.987 179.017 176.094 -0.108 0.000 1.053 359 V CA 1.767 63.971 62.300 -0.159 0.000 1.027 359 V CB -1.184 30.566 31.823 -0.122 0.000 0.646 359 V HN 0.441 nan 8.190 nan 0.000 0.447 360 V N 0.592 120.480 119.914 -0.043 0.000 2.332 360 V HA -0.299 3.818 4.120 -0.005 0.000 0.248 360 V C 2.765 178.838 176.094 -0.035 0.000 1.055 360 V CA 2.223 64.522 62.300 -0.001 0.000 1.038 360 V CB -1.246 30.582 31.823 0.008 0.000 0.651 360 V HN 0.577 nan 8.190 nan 0.000 0.450 361 A N -0.326 122.459 122.820 -0.058 0.000 2.019 361 A HA -0.006 4.310 4.320 -0.005 0.000 0.219 361 A C 2.262 179.808 177.584 -0.062 0.000 1.164 361 A CA 1.795 53.799 52.037 -0.056 0.000 0.644 361 A CB -0.523 18.442 19.000 -0.059 0.000 0.805 361 A HN 0.599 nan 8.150 nan 0.000 0.449 362 A N -0.939 121.829 122.820 -0.086 0.000 2.169 362 A HA 0.428 4.745 4.320 -0.005 0.000 0.212 362 A C 0.643 178.178 177.584 -0.082 0.000 1.153 362 A CA 0.460 52.444 52.037 -0.089 0.000 0.756 362 A CB -0.132 18.797 19.000 -0.119 0.000 0.813 362 A HN 0.266 nan 8.150 nan 0.000 0.471 363 V N 1.708 121.579 119.914 -0.070 0.000 2.435 363 V HA 0.321 4.438 4.120 -0.005 0.000 0.290 363 V C -2.519 173.570 176.094 -0.008 0.000 1.030 363 V CA -2.010 60.264 62.300 -0.044 0.000 0.881 363 V CB 1.357 33.167 31.823 -0.023 0.000 0.983 363 V HN 0.154 nan 8.190 nan 0.000 0.445 364 P HA 0.198 nan 4.420 nan 0.000 0.269 364 P C -0.171 177.140 177.300 0.018 0.000 1.209 364 P CA -0.165 62.955 63.100 0.033 0.000 0.776 364 P CB 0.380 32.124 31.700 0.074 0.000 0.876 365 M N 4.466 124.022 119.600 -0.073 0.000 2.245 365 M HA 0.100 4.576 4.480 -0.005 0.000 0.344 365 M C -1.380 174.717 176.300 -0.337 0.000 1.170 365 M CA -0.771 54.410 55.300 -0.198 0.000 1.135 365 M CB 0.259 32.771 32.600 -0.147 0.000 1.574 365 M HN 0.280 nan 8.290 nan 0.000 0.452 366 P HA 0.182 nan 4.420 nan 0.000 0.266 366 P C 0.018 176.775 177.300 -0.906 0.000 1.561 366 P CA 0.223 62.934 63.100 -0.648 0.000 1.089 366 P CB -0.082 31.284 31.700 -0.557 0.000 1.534 367 F N 1.372 120.996 119.950 -0.542 0.000 2.710 367 F HA -0.041 4.483 4.527 -0.006 0.000 0.298 367 F C 2.125 177.595 175.800 -0.551 0.000 1.137 367 F CA 0.614 58.022 58.000 -0.987 0.000 1.444 367 F CB -0.713 37.713 39.000 -0.957 0.000 1.111 367 F HN 0.003 nan 8.300 nan 0.000 0.580 368 D N 0.520 120.829 120.400 -0.152 0.000 2.182 368 D HA -0.211 4.425 4.640 -0.005 0.000 0.201 368 D C 1.687 178.006 176.300 0.033 0.000 0.986 368 D CA 1.037 55.045 54.000 0.014 0.000 0.847 368 D CB -0.278 40.509 40.800 -0.022 0.000 0.942 368 D HN 0.078 nan 8.370 nan 0.000 0.467 369 K N 0.080 120.442 120.400 -0.062 0.000 2.280 369 K HA -0.081 4.235 4.320 -0.005 0.000 0.202 369 K C 1.672 178.354 176.600 0.138 0.000 1.047 369 K CA 0.418 56.719 56.287 0.023 0.000 0.942 369 K CB -0.670 31.831 32.500 0.001 0.000 0.739 369 K HN 0.363 nan 8.250 nan 0.000 0.457 370 W N -0.585 120.617 121.300 -0.163 0.000 2.525 370 W HA -0.068 4.589 4.660 -0.005 0.000 0.259 370 W C 0.699 176.940 176.519 -0.463 0.000 1.253 370 W CA 0.556 57.686 57.345 -0.359 0.000 1.262 370 W CB -0.674 28.309 29.460 -0.795 0.000 1.122 370 W HN 0.117 nan 8.180 nan 0.000 0.607 371 Y N -0.409 120.036 120.300 0.242 0.000 2.612 371 Y HA 0.069 4.616 4.550 -0.005 0.000 0.250 371 Y C 2.108 178.062 175.900 0.091 0.000 1.175 371 Y CA 0.405 58.601 58.100 0.161 0.000 1.205 371 Y CB -0.519 38.010 38.460 0.115 0.000 1.201 371 Y HN -0.139 nan 8.280 nan 0.000 0.532 372 S N -0.639 115.163 115.700 0.169 0.000 2.501 372 S HA 0.312 4.779 4.470 -0.005 0.000 0.220 372 S C 1.208 175.860 174.600 0.087 0.000 0.997 372 S CA 0.029 58.292 58.200 0.104 0.000 0.919 372 S CB -0.121 63.122 63.200 0.072 0.000 0.778 372 S HN 0.197 nan 8.310 nan 0.000 0.523 373 A N 2.241 125.119 122.820 0.096 0.000 2.425 373 A HA 0.547 4.863 4.320 -0.005 0.000 0.249 373 A C 1.351 178.993 177.584 0.096 0.000 1.084 373 A CA 0.071 52.161 52.037 0.089 0.000 0.781 373 A CB 0.322 19.370 19.000 0.080 0.000 1.019 373 A HN 0.511 nan 8.150 nan 0.000 0.490 374 S N 1.554 117.327 115.700 0.123 0.000 2.501 374 S HA 0.356 4.822 4.470 -0.005 0.000 0.220 374 S C 1.339 176.025 174.600 0.144 0.000 0.997 374 S CA 0.978 59.281 58.200 0.172 0.000 0.919 374 S CB -0.048 63.308 63.200 0.260 0.000 0.778 374 S HN 2.567 nan 8.310 nan 0.000 0.523 375 G N -0.042 108.805 108.800 0.080 0.000 2.176 375 G HA2 -0.253 3.703 3.960 -0.005 0.000 0.232 375 G HA3 -0.253 3.703 3.960 -0.005 0.000 0.232 375 G C 0.259 175.078 174.900 -0.135 0.000 0.986 375 G CA 0.281 45.348 45.100 -0.055 0.000 0.643 375 G HN 0.565 nan 8.290 nan 0.000 0.522 376 Y N 0.764 121.103 120.300 0.065 0.000 2.458 376 Y HA 0.408 4.955 4.550 -0.005 0.000 0.256 376 Y C 1.184 177.107 175.900 0.040 0.000 1.159 376 Y CA -0.008 58.133 58.100 0.069 0.000 1.261 376 Y CB 0.506 39.030 38.460 0.107 0.000 1.119 376 Y HN 0.247 nan 8.280 nan 0.000 0.524 377 E N 1.408 121.701 120.200 0.156 0.000 2.585 377 E HA 0.093 4.440 4.350 -0.005 0.000 0.252 377 E C 0.573 177.209 176.600 0.060 0.000 0.981 377 E CA 0.529 56.989 56.400 0.101 0.000 0.943 377 E CB 0.249 29.996 29.700 0.078 0.000 0.923 377 E HN 0.323 nan 8.360 nan 0.000 0.486 378 T N -0.461 114.122 114.554 0.048 0.000 2.647 378 T HA 0.767 5.114 4.350 -0.005 0.000 0.295 378 T C 0.013 174.724 174.700 0.018 0.000 1.126 378 T CA -0.514 61.597 62.100 0.017 0.000 1.040 378 T CB 1.585 70.438 68.868 -0.024 0.000 1.472 378 T HN 0.379 nan 8.240 nan 0.000 0.500 379 T N -2.109 112.451 114.554 0.009 0.000 2.626 379 T HA 0.452 4.799 4.350 -0.005 0.000 0.279 379 T C 0.994 175.692 174.700 -0.003 0.000 0.983 379 T CA -0.810 61.296 62.100 0.010 0.000 1.059 379 T CB 1.054 69.938 68.868 0.026 0.000 1.396 379 T HN 0.581 nan 8.240 nan 0.000 0.519 380 Q N 0.049 119.850 119.800 0.002 0.000 2.124 380 Q HA -0.151 4.186 4.340 -0.005 0.000 0.202 380 Q C 1.286 177.295 176.000 0.015 0.000 0.977 380 Q CA 1.679 57.479 55.803 -0.006 0.000 0.850 380 Q CB -0.253 28.482 28.738 -0.006 0.000 0.901 380 Q HN 0.555 nan 8.270 nan 0.000 0.429 381 D N -0.628 119.800 120.400 0.047 0.000 2.312 381 D HA 0.032 4.669 4.640 -0.005 0.000 0.211 381 D C 0.863 177.186 176.300 0.039 0.000 0.964 381 D CA 1.094 55.142 54.000 0.080 0.000 0.877 381 D CB 0.200 41.059 40.800 0.098 0.000 0.924 381 D HN 0.390 nan 8.370 nan 0.000 0.515 382 G N 0.785 109.589 108.800 0.008 0.000 2.655 382 G HA2 -0.156 3.801 3.960 -0.005 0.000 0.680 382 G HA3 -0.156 3.801 3.960 -0.005 0.000 0.680 382 G C -2.693 172.202 174.900 -0.009 0.000 1.302 382 G CA -1.042 44.039 45.100 -0.031 0.000 0.872 382 G HN -0.074 nan 8.290 nan 0.000 0.540 383 P HA 0.188 nan 4.420 nan 0.000 0.266 383 P C 1.269 178.697 177.300 0.214 0.000 1.195 383 P CA 0.819 63.936 63.100 0.028 0.000 0.768 383 P CB 0.576 32.214 31.700 -0.104 0.000 0.838 384 T N -0.313 114.366 114.554 0.209 0.000 3.088 384 T HA 0.256 4.603 4.350 -0.005 0.000 0.259 384 T C 0.895 175.774 174.700 0.298 0.000 1.122 384 T CA 0.854 63.097 62.100 0.237 0.000 1.095 384 T CB -0.346 68.627 68.868 0.176 0.000 0.930 384 T HN 0.525 nan 8.240 nan 0.000 0.508 385 G N 0.974 109.984 108.800 0.350 0.000 2.772 385 G HA2 0.490 4.447 3.960 -0.005 0.000 0.284 385 G HA3 0.490 4.447 3.960 -0.005 0.000 0.284 385 G C -0.722 174.436 174.900 0.430 0.000 1.217 385 G CA -0.214 45.044 45.100 0.264 0.000 0.831 385 G HN 0.535 nan 8.290 nan 0.000 0.523 386 S N -0.581 115.284 115.700 0.274 0.000 2.579 386 S HA 0.482 4.949 4.470 -0.005 0.000 0.275 386 S C 0.008 174.760 174.600 0.253 0.000 1.345 386 S CA -0.336 58.072 58.200 0.347 0.000 1.031 386 S CB 1.018 64.380 63.200 0.269 0.000 0.892 386 S HN 0.525 nan 8.310 nan 0.000 0.529 387 L N 2.801 124.178 121.223 0.256 0.000 2.416 387 L HA 0.437 4.773 4.340 -0.005 0.000 0.272 387 L C 0.529 177.341 176.870 -0.096 0.000 1.161 387 L CA 0.686 55.564 54.840 0.063 0.000 0.845 387 L CB 0.011 42.136 42.059 0.110 0.000 1.119 387 L HN 0.959 nan 8.230 nan 0.000 0.464 388 N N 1.855 120.459 118.700 -0.159 0.000 2.571 388 N HA 0.537 5.274 4.740 -0.005 0.000 0.273 388 N C -1.155 174.228 175.510 -0.212 0.000 1.340 388 N CA -0.937 51.970 53.050 -0.240 0.000 0.789 388 N CB 1.434 39.797 38.487 -0.206 0.000 1.514 388 N HN 0.373 nan 8.380 nan 0.000 0.499 389 I N 1.783 122.229 120.570 -0.207 0.000 2.416 389 I HA 0.084 4.251 4.170 -0.005 0.000 0.288 389 I C 0.781 176.846 176.117 -0.087 0.000 1.051 389 I CA -0.130 61.093 61.300 -0.129 0.000 1.375 389 I CB 0.971 38.894 38.000 -0.127 0.000 1.407 389 I HN 0.479 nan 8.210 nan 0.000 0.516 390 S N 5.292 120.977 115.700 -0.026 0.000 2.589 390 S HA 0.127 4.593 4.470 -0.005 0.000 0.265 390 S C 1.403 176.023 174.600 0.034 0.000 1.342 390 S CA -0.753 57.447 58.200 0.001 0.000 1.005 390 S CB 1.211 64.437 63.200 0.044 0.000 0.909 390 S HN 0.443 nan 8.310 nan 0.000 0.555 391 V N 1.318 121.264 119.914 0.053 0.000 2.255 391 V HA -0.039 4.078 4.120 -0.005 0.000 0.247 391 V C 2.791 179.008 176.094 0.205 0.000 1.051 391 V CA 2.039 64.408 62.300 0.115 0.000 1.018 391 V CB -2.297 29.656 31.823 0.216 0.000 0.641 391 V HN 1.009 nan 8.190 nan 0.000 0.445 392 G N 0.045 108.996 108.800 0.251 0.000 2.469 392 G HA2 -0.210 3.747 3.960 -0.005 0.000 0.219 392 G HA3 -0.210 3.747 3.960 -0.005 0.000 0.219 392 G C 1.704 176.705 174.900 0.170 0.000 1.150 392 G CA 1.360 46.606 45.100 0.245 0.000 0.763 392 G HN 0.768 nan 8.290 nan 0.000 0.561 393 A N 0.337 123.262 122.820 0.175 0.000 2.015 393 A HA 0.097 4.414 4.320 -0.005 0.000 0.219 393 A C 2.294 180.073 177.584 0.324 0.000 1.163 393 A CA 1.821 54.023 52.037 0.274 0.000 0.646 393 A CB -0.235 18.943 19.000 0.297 0.000 0.806 393 A HN 0.395 nan 8.150 nan 0.000 0.448 394 K N -0.439 120.076 120.400 0.192 0.000 2.103 394 K HA 0.097 4.413 4.320 -0.005 0.000 0.204 394 K C 1.660 178.378 176.600 0.196 0.000 1.052 394 K CA 1.183 57.562 56.287 0.154 0.000 0.945 394 K CB -0.224 32.310 32.500 0.057 0.000 0.722 394 K HN 0.501 nan 8.250 nan 0.000 0.443 395 I N 0.872 121.537 120.570 0.158 0.000 2.315 395 I HA -0.234 3.932 4.170 -0.005 0.000 0.248 395 I C 2.210 178.398 176.117 0.118 0.000 1.117 395 I CA 0.609 61.974 61.300 0.107 0.000 1.404 395 I CB -0.111 37.913 38.000 0.041 0.000 1.071 395 I HN 0.119 nan 8.210 nan 0.000 0.419 396 L N 0.123 121.444 121.223 0.163 0.000 2.131 396 L HA -0.250 4.087 4.340 -0.005 0.000 0.210 396 L C 2.441 179.521 176.870 0.349 0.000 1.092 396 L CA 1.780 56.731 54.840 0.186 0.000 0.759 396 L CB -0.826 41.316 42.059 0.138 0.000 0.903 396 L HN 0.234 nan 8.230 nan 0.000 0.435 397 Y N 0.145 120.612 120.300 0.279 0.000 2.242 397 Y HA -0.173 4.374 4.550 -0.005 0.000 0.291 397 Y C 2.338 178.311 175.900 0.123 0.000 1.137 397 Y CA 1.764 59.977 58.100 0.189 0.000 1.181 397 Y CB 0.024 38.489 38.460 0.009 0.000 0.989 397 Y HN 0.271 nan 8.280 nan 0.000 0.527 398 E N 0.455 120.732 120.200 0.127 0.000 2.051 398 E HA -0.195 4.152 4.350 -0.005 0.000 0.192 398 E C 2.465 179.072 176.600 0.011 0.000 0.991 398 E CA 1.156 57.575 56.400 0.031 0.000 0.799 398 E CB -0.860 28.889 29.700 0.081 0.000 0.748 398 E HN 0.556 nan 8.360 nan 0.000 0.449 399 A N 1.409 124.269 122.820 0.067 0.000 1.908 399 A HA -0.168 4.148 4.320 -0.005 0.000 0.218 399 A C 2.450 180.180 177.584 0.242 0.000 1.181 399 A CA 2.118 54.227 52.037 0.121 0.000 0.627 399 A CB -0.775 18.249 19.000 0.041 0.000 0.818 399 A HN 0.223 nan 8.150 nan 0.000 0.445 400 V N -3.113 116.933 119.914 0.219 0.000 3.573 400 V HA -0.024 4.093 4.120 -0.005 0.000 0.270 400 V C 1.502 177.593 176.094 -0.004 0.000 1.221 400 V CA 1.334 63.749 62.300 0.192 0.000 1.163 400 V CB -0.484 31.503 31.823 0.274 0.000 0.847 400 V HN 0.477 nan 8.190 nan 0.000 0.468 401 Q N 1.250 120.988 119.800 -0.104 0.000 2.424 401 Q HA 0.283 4.619 4.340 -0.005 0.000 0.204 401 Q C 1.567 177.532 176.000 -0.058 0.000 0.933 401 Q CA 0.906 56.617 55.803 -0.155 0.000 0.929 401 Q CB 0.283 28.868 28.738 -0.255 0.000 1.037 401 Q HN 0.927 nan 8.270 nan 0.000 0.511 402 G N 2.409 111.205 108.800 -0.006 0.000 2.527 402 G HA2 -0.363 3.593 3.960 -0.005 0.000 0.268 402 G HA3 -0.363 3.593 3.960 -0.005 0.000 0.268 402 G C -0.046 174.857 174.900 0.005 0.000 1.175 402 G CA 0.273 45.378 45.100 0.009 0.000 0.962 402 G HN 0.429 nan 8.290 nan 0.000 0.560 403 D N 0.355 120.757 120.400 0.002 0.000 2.349 403 D HA 0.279 4.916 4.640 -0.005 0.000 0.224 403 D C 1.615 177.915 176.300 -0.001 0.000 1.029 403 D CA 0.944 54.946 54.000 0.004 0.000 0.879 403 D CB 0.320 41.123 40.800 0.005 0.000 0.906 403 D HN 0.469 nan 8.370 nan 0.000 0.528 404 K N 0.469 120.863 120.400 -0.010 0.000 2.459 404 K HA 0.076 4.393 4.320 -0.005 0.000 0.193 404 K C 0.289 176.883 176.600 -0.010 0.000 1.030 404 K CA -0.060 56.220 56.287 -0.012 0.000 1.026 404 K CB 0.204 32.689 32.500 -0.025 0.000 0.809 404 K HN 0.105 nan 8.250 nan 0.000 0.504 405 S N 0.588 116.282 115.700 -0.010 0.000 2.525 405 S HA 0.284 4.751 4.470 -0.005 0.000 0.278 405 S C -1.718 172.893 174.600 0.019 0.000 1.234 405 S CA -1.492 56.711 58.200 0.004 0.000 1.058 405 S CB 0.985 64.185 63.200 -0.000 0.000 0.983 405 S HN 0.080 nan 8.310 nan 0.000 0.495 406 P HA 0.131 nan 4.420 nan 0.000 0.237 406 P C -0.101 177.219 177.300 0.032 0.000 1.178 406 P CA 0.254 63.373 63.100 0.032 0.000 0.766 406 P CB -0.070 31.654 31.700 0.040 0.000 0.876 407 I N 2.663 123.254 120.570 0.034 0.000 2.301 407 I HA 0.233 4.400 4.170 -0.005 0.000 0.292 407 I C -2.336 173.795 176.117 0.022 0.000 1.046 407 I CA -3.502 57.817 61.300 0.031 0.000 1.282 407 I CB 0.237 38.260 38.000 0.038 0.000 1.409 407 I HN -0.210 nan 8.210 nan 0.000 0.484 408 P HA 0.022 nan 4.420 nan 0.000 0.262 408 P C -0.350 176.954 177.300 0.007 0.000 1.199 408 P CA -0.110 62.998 63.100 0.013 0.000 0.763 408 P CB 0.276 31.983 31.700 0.011 0.000 0.790 409 Q N 2.896 122.701 119.800 0.009 0.000 2.664 409 Q HA 0.181 4.518 4.340 -0.005 0.000 0.223 409 Q C 1.369 177.367 176.000 -0.004 0.000 1.298 409 Q CA -0.158 55.646 55.803 0.002 0.000 0.965 409 Q CB 0.309 29.055 28.738 0.015 0.000 1.510 409 Q HN 0.475 nan 8.270 nan 0.000 0.567 410 A N 2.062 124.875 122.820 -0.012 0.000 1.940 410 A HA -0.068 4.249 4.320 -0.005 0.000 0.219 410 A C 1.075 178.647 177.584 -0.020 0.000 1.176 410 A CA 1.231 53.259 52.037 -0.014 0.000 0.631 410 A CB 0.077 19.066 19.000 -0.019 0.000 0.814 410 A HN 0.424 nan 8.150 nan 0.000 0.446 411 V N -1.610 118.285 119.914 -0.032 0.000 2.581 411 V HA 0.542 4.659 4.120 -0.005 0.000 0.303 411 V C -0.800 175.274 176.094 -0.034 0.000 1.041 411 V CA -1.160 61.119 62.300 -0.036 0.000 0.907 411 V CB 1.628 33.418 31.823 -0.055 0.000 0.994 411 V HN 0.244 nan 8.190 nan 0.000 0.442 412 D N 2.654 123.044 120.400 -0.017 0.000 2.325 412 D HA 0.280 4.916 4.640 -0.005 0.000 0.251 412 D C 0.728 176.999 176.300 -0.049 0.000 1.196 412 D CA -0.019 53.984 54.000 0.005 0.000 0.866 412 D CB 1.275 42.105 40.800 0.049 0.000 1.101 412 D HN 0.587 nan 8.370 nan 0.000 0.476 413 L N 3.081 124.219 121.223 -0.141 0.000 2.313 413 L HA -0.021 4.315 4.340 -0.005 0.000 0.214 413 L C 1.207 177.825 176.870 -0.420 0.000 1.119 413 L CA 0.381 55.033 54.840 -0.313 0.000 0.809 413 L CB -0.146 41.640 42.059 -0.454 0.000 0.933 413 L HN 0.455 nan 8.230 nan 0.000 0.449 414 F N 0.162 120.106 119.950 -0.011 0.000 2.797 414 F HA 0.226 4.749 4.527 -0.005 0.000 0.302 414 F C 1.650 177.446 175.800 -0.007 0.000 1.130 414 F CA 0.199 58.195 58.000 -0.006 0.000 1.387 414 F CB -0.612 38.390 39.000 0.004 0.000 1.107 414 F HN 0.040 nan 8.300 nan 0.000 0.577 415 A N 0.483 123.354 122.820 0.085 0.000 2.596 415 A HA 0.012 4.328 4.320 -0.005 0.000 0.300 415 A C 1.826 179.450 177.584 0.067 0.000 1.495 415 A CA 1.074 53.142 52.037 0.051 0.000 0.769 415 A CB -1.846 17.166 19.000 0.021 0.000 1.047 415 A HN 1.398 nan 8.150 nan 0.000 0.436 416 G N -1.811 107.038 108.800 0.083 0.000 2.241 416 G HA2 -0.283 3.674 3.960 -0.005 0.000 0.244 416 G HA3 -0.283 3.674 3.960 -0.005 0.000 0.244 416 G C 0.187 175.123 174.900 0.060 0.000 0.998 416 G CA 0.886 46.022 45.100 0.060 0.000 0.621 416 G HN 1.270 nan 8.290 nan 0.000 0.519 417 K N 1.696 122.147 120.400 0.085 0.000 2.144 417 K HA 0.510 4.827 4.320 -0.005 0.000 0.270 417 K C -2.478 174.137 176.600 0.025 0.000 1.005 417 K CA -1.775 54.547 56.287 0.059 0.000 0.932 417 K CB 0.895 33.440 32.500 0.075 0.000 1.021 417 K HN 0.051 nan 8.250 nan 0.000 0.462 418 P HA -0.053 nan 4.420 nan 0.000 0.265 418 P C 0.218 177.408 177.300 -0.184 0.000 1.193 418 P CA 0.158 63.206 63.100 -0.087 0.000 0.765 418 P CB 0.577 32.242 31.700 -0.057 0.000 0.823 419 Q N 1.748 121.310 119.800 -0.397 0.000 2.096 419 Q HA -0.318 4.019 4.340 -0.005 0.000 0.208 419 Q C 2.063 177.902 176.000 -0.267 0.000 0.993 419 Q CA 2.149 57.538 55.803 -0.689 0.000 0.862 419 Q CB -0.177 28.125 28.738 -0.726 0.000 0.915 419 Q HN 0.615 nan 8.270 nan 0.000 0.416 420 Q N 0.576 120.289 119.800 -0.145 0.000 2.181 420 Q HA -0.252 4.085 4.340 -0.005 0.000 0.205 420 Q C 1.779 177.780 176.000 0.002 0.000 0.980 420 Q CA 1.764 57.542 55.803 -0.042 0.000 0.862 420 Q CB -0.086 28.631 28.738 -0.035 0.000 0.905 420 Q HN 0.420 nan 8.270 nan 0.000 0.429 421 E N -0.404 119.790 120.200 -0.010 0.000 2.106 421 E HA -0.139 4.208 4.350 -0.005 0.000 0.192 421 E C 1.838 178.475 176.600 0.061 0.000 0.984 421 E CA 1.248 57.664 56.400 0.025 0.000 0.806 421 E CB 0.176 29.887 29.700 0.018 0.000 0.750 421 E HN 0.343 nan 8.360 nan 0.000 0.458 422 V N 0.475 120.433 119.914 0.074 0.000 2.453 422 V HA -0.183 3.934 4.120 -0.005 0.000 0.247 422 V C 2.363 178.556 176.094 0.164 0.000 1.048 422 V CA 1.088 63.471 62.300 0.138 0.000 1.049 422 V CB -0.036 31.950 31.823 0.271 0.000 0.672 422 V HN 0.191 nan 8.190 nan 0.000 0.457 423 V N -0.025 120.004 119.914 0.191 0.000 2.295 423 V HA -0.249 3.868 4.120 -0.005 0.000 0.246 423 V C 2.310 178.597 176.094 0.322 0.000 1.049 423 V CA 1.980 64.487 62.300 0.344 0.000 1.024 423 V CB -0.514 31.505 31.823 0.326 0.000 0.648 423 V HN 0.435 nan 8.190 nan 0.000 0.447 424 L N -0.063 121.270 121.223 0.183 0.000 2.093 424 L HA -0.106 4.231 4.340 -0.005 0.000 0.208 424 L C 2.710 179.667 176.870 0.145 0.000 1.085 424 L CA 1.374 56.298 54.840 0.140 0.000 0.755 424 L CB -0.751 41.355 42.059 0.077 0.000 0.904 424 L HN 0.352 nan 8.230 nan 0.000 0.435 425 A N 0.099 122.995 122.820 0.127 0.000 1.902 425 A HA -0.169 4.148 4.320 -0.005 0.000 0.217 425 A C 2.516 180.178 177.584 0.131 0.000 1.181 425 A CA 1.738 53.841 52.037 0.109 0.000 0.623 425 A CB -0.652 18.397 19.000 0.081 0.000 0.818 425 A HN 0.394 nan 8.150 nan 0.000 0.443 426 A N -0.497 122.414 122.820 0.152 0.000 1.930 426 A HA 0.034 4.351 4.320 -0.005 0.000 0.217 426 A C 2.127 179.903 177.584 0.319 0.000 1.175 426 A CA 1.317 53.434 52.037 0.133 0.000 0.627 426 A CB -0.519 18.423 19.000 -0.098 0.000 0.815 426 A HN 0.460 nan 8.150 nan 0.000 0.443 427 L N -0.825 120.643 121.223 0.407 0.000 2.141 427 L HA -0.173 4.164 4.340 -0.005 0.000 0.209 427 L C 2.601 179.637 176.870 0.276 0.000 1.094 427 L CA 1.647 56.702 54.840 0.357 0.000 0.763 427 L CB -0.299 41.891 42.059 0.217 0.000 0.908 427 L HN 0.616 nan 8.230 nan 0.000 0.437 428 E N 0.098 120.430 120.200 0.221 0.000 2.107 428 E HA -0.223 4.123 4.350 -0.005 0.000 0.191 428 E C 1.527 178.266 176.600 0.233 0.000 0.982 428 E CA 1.179 57.708 56.400 0.215 0.000 0.809 428 E CB 0.195 29.984 29.700 0.148 0.000 0.756 428 E HN 0.392 nan 8.360 nan 0.000 0.459 429 D N -0.092 120.417 120.400 0.182 0.000 2.144 429 D HA -0.121 4.516 4.640 -0.005 0.000 0.199 429 D C 1.864 178.259 176.300 0.159 0.000 0.984 429 D CA 1.510 55.593 54.000 0.138 0.000 0.834 429 D CB -0.394 40.463 40.800 0.094 0.000 0.955 429 D HN 0.183 nan 8.370 nan 0.000 0.465 430 T N 0.188 114.879 114.554 0.228 0.000 2.737 430 T HA -0.150 4.197 4.350 -0.005 0.000 0.265 430 T C 1.672 176.536 174.700 0.273 0.000 1.038 430 T CA 0.744 62.990 62.100 0.244 0.000 1.144 430 T CB -0.327 68.734 68.868 0.321 0.000 0.866 430 T HN 0.372 nan 8.240 nan 0.000 0.434 431 W N 2.511 123.907 121.300 0.159 0.000 2.338 431 W HA -0.136 4.521 4.660 -0.005 0.000 0.304 431 W C 2.172 178.775 176.519 0.140 0.000 1.212 431 W CA 1.566 59.019 57.345 0.179 0.000 1.264 431 W CB -0.214 29.330 29.460 0.139 0.000 1.142 431 W HN 0.308 nan 8.180 nan 0.000 0.512 432 E N -0.075 120.179 120.200 0.090 0.000 2.038 432 E HA -0.214 4.133 4.350 -0.005 0.000 0.195 432 E C 1.937 178.452 176.600 -0.143 0.000 1.000 432 E CA 2.565 58.937 56.400 -0.046 0.000 0.803 432 E CB -0.508 29.229 29.700 0.062 0.000 0.750 432 E HN 0.109 nan 8.360 nan 0.000 0.448 433 T N 1.941 116.447 114.554 -0.081 0.000 2.684 433 T HA -0.129 4.218 4.350 -0.005 0.000 0.267 433 T C 2.060 176.623 174.700 -0.228 0.000 1.036 433 T CA 1.510 63.535 62.100 -0.125 0.000 1.148 433 T CB -0.212 68.621 68.868 -0.058 0.000 0.863 433 T HN 0.157 nan 8.240 nan 0.000 0.436 434 L N 1.354 122.441 121.223 -0.227 0.000 2.095 434 L HA -0.045 4.292 4.340 -0.005 0.000 0.204 434 L C 2.978 179.499 176.870 -0.582 0.000 1.080 434 L CA 1.326 55.926 54.840 -0.400 0.000 0.759 434 L CB -0.794 41.064 42.059 -0.336 0.000 0.914 434 L HN 0.367 nan 8.230 nan 0.000 0.439 435 S N -0.343 115.012 115.700 -0.575 0.000 2.382 435 S HA -0.232 4.235 4.470 -0.005 0.000 0.228 435 S C 2.021 176.385 174.600 -0.394 0.000 1.027 435 S CA 1.001 58.858 58.200 -0.572 0.000 0.991 435 S CB -0.329 62.187 63.200 -1.141 0.000 0.823 435 S HN 0.300 nan 8.310 nan 0.000 0.469 436 K N 1.293 121.472 120.400 -0.369 0.000 2.057 436 K HA -0.104 4.213 4.320 -0.005 0.000 0.207 436 K C 2.607 179.012 176.600 -0.326 0.000 1.049 436 K CA 1.505 57.627 56.287 -0.274 0.000 0.931 436 K CB -0.167 32.200 32.500 -0.221 0.000 0.714 436 K HN 0.547 nan 8.250 nan 0.000 0.440 437 R N -0.953 119.251 120.500 -0.493 0.000 2.140 437 R HA -0.064 4.272 4.340 -0.005 0.000 0.213 437 R C 1.162 176.991 176.300 -0.784 0.000 1.059 437 R CA 0.999 56.698 56.100 -0.668 0.000 1.000 437 R CB 0.095 29.863 30.300 -0.888 0.000 0.910 437 R HN 0.140 nan 8.270 nan 0.000 0.455 438 Y N -0.520 119.495 120.300 -0.475 0.000 2.462 438 Y HA 0.424 4.970 4.550 -0.005 0.000 0.253 438 Y C 1.029 176.815 175.900 -0.191 0.000 1.095 438 Y CA 0.355 58.165 58.100 -0.482 0.000 1.283 438 Y CB 1.047 38.809 38.460 -1.162 0.000 1.138 438 Y HN 0.343 nan 8.280 nan 0.000 0.522 439 G N 0.700 109.482 108.800 -0.029 0.000 2.610 439 G HA2 -0.244 3.712 3.960 -0.005 0.000 0.304 439 G HA3 -0.244 3.712 3.960 -0.005 0.000 0.304 439 G C 0.089 175.156 174.900 0.277 0.000 1.309 439 G CA -0.159 45.008 45.100 0.112 0.000 0.906 439 G HN 0.168 nan 8.290 nan 0.000 0.521 440 N N 0.261 119.122 118.700 0.268 0.000 2.299 440 N HA -0.009 4.728 4.740 -0.005 0.000 0.187 440 N C 0.721 176.437 175.510 0.342 0.000 1.099 440 N CA 0.338 53.605 53.050 0.361 0.000 0.867 440 N CB 0.336 39.034 38.487 0.352 0.000 0.974 440 N HN 0.623 nan 8.380 nan 0.000 0.477 441 N N 1.546 120.402 118.700 0.261 0.000 2.521 441 N HA 0.094 4.831 4.740 -0.005 0.000 0.236 441 N C 0.930 176.364 175.510 -0.126 0.000 1.067 441 N CA -0.244 52.859 53.050 0.089 0.000 0.939 441 N CB 0.935 39.477 38.487 0.091 0.000 1.201 441 N HN -0.275 nan 8.380 nan 0.000 0.511 442 V N 2.659 122.300 119.914 -0.455 0.000 2.469 442 V HA -0.212 3.904 4.120 -0.005 0.000 0.251 442 V C 2.046 177.746 176.094 -0.657 0.000 1.064 442 V CA 1.554 63.159 62.300 -1.158 0.000 1.066 442 V CB -0.345 30.938 31.823 -0.900 0.000 0.667 442 V HN 0.655 nan 8.190 nan 0.000 0.461 443 S N 1.520 117.039 115.700 -0.302 0.000 2.469 443 S HA -0.130 4.337 4.470 -0.005 0.000 0.238 443 S C 1.521 176.084 174.600 -0.062 0.000 0.998 443 S CA 1.397 59.504 58.200 -0.155 0.000 0.957 443 S CB -0.392 62.751 63.200 -0.096 0.000 0.764 443 S HN 0.925 nan 8.310 nan 0.000 0.514 444 N N -0.758 117.943 118.700 0.003 0.000 2.204 444 N HA 0.020 4.757 4.740 -0.005 0.000 0.219 444 N C -0.895 174.740 175.510 0.209 0.000 1.151 444 N CA -0.500 52.606 53.050 0.093 0.000 0.867 444 N CB -0.463 38.083 38.487 0.097 0.000 1.043 444 N HN 0.135 nan 8.380 nan 0.000 0.516 445 W N 2.034 123.264 121.300 -0.117 0.000 2.417 445 W HA 0.210 4.867 4.660 -0.006 0.000 0.332 445 W C 0.345 176.690 176.519 -0.290 0.000 1.413 445 W CA -0.491 56.688 57.345 -0.277 0.000 1.299 445 W CB 0.221 29.481 29.460 -0.333 0.000 1.304 445 W HN -0.075 nan 8.180 nan 0.000 0.565 446 K N 3.216 123.530 120.400 -0.143 0.000 2.419 446 K HA 0.202 4.518 4.320 -0.005 0.000 0.244 446 K C 0.259 176.740 176.600 -0.198 0.000 1.045 446 K CA -0.337 55.894 56.287 -0.094 0.000 1.004 446 K CB 0.731 33.222 32.500 -0.016 0.000 1.376 446 K HN 0.357 nan 8.250 nan 0.000 0.460 447 T N -0.147 114.295 114.554 -0.187 0.000 2.909 447 T HA 0.358 4.705 4.350 -0.005 0.000 0.286 447 T C -2.296 172.375 174.700 -0.048 0.000 1.002 447 T CA -2.181 59.830 62.100 -0.148 0.000 1.074 447 T CB 1.082 69.894 68.868 -0.094 0.000 0.984 447 T HN 0.190 nan 8.240 nan 0.000 0.495 448 P HA 0.311 nan 4.420 nan 0.000 0.267 448 P C -0.413 176.610 177.300 -0.461 0.000 1.205 448 P CA -0.284 62.705 63.100 -0.185 0.000 0.765 448 P CB 0.293 31.920 31.700 -0.121 0.000 0.828 449 A N 4.679 127.041 122.820 -0.763 0.000 2.304 449 A HA 0.501 4.817 4.320 -0.005 0.000 0.271 449 A C 0.448 177.484 177.584 -0.914 0.000 1.091 449 A CA -0.683 50.402 52.037 -1.587 0.000 0.812 449 A CB 0.101 18.328 19.000 -1.288 0.000 1.056 449 A HN 0.541 nan 8.150 nan 0.000 0.489 450 M N 1.310 120.425 119.600 -0.809 0.000 2.211 450 M HA 0.437 4.914 4.480 -0.005 0.000 0.356 450 M C 0.503 176.739 176.300 -0.107 0.000 1.216 450 M CA 0.152 55.290 55.300 -0.270 0.000 1.134 450 M CB 1.255 33.789 32.600 -0.109 0.000 1.564 450 M HN 0.846 nan 8.290 nan 0.000 0.463 451 A N 2.861 125.644 122.820 -0.062 0.000 2.352 451 A HA 0.909 5.226 4.320 -0.005 0.000 0.299 451 A C -1.471 176.128 177.584 0.026 0.000 1.160 451 A CA -0.654 51.381 52.037 -0.004 0.000 0.933 451 A CB 1.118 20.111 19.000 -0.011 0.000 1.387 451 A HN 0.676 nan 8.150 nan 0.000 0.487 452 L N -0.356 120.842 121.223 -0.042 0.000 2.409 452 L HA 0.624 4.961 4.340 -0.005 0.000 0.272 452 L C -0.688 176.059 176.870 -0.206 0.000 0.980 452 L CA 0.209 54.912 54.840 -0.229 0.000 0.826 452 L CB 1.921 43.690 42.059 -0.483 0.000 1.268 452 L HN 0.616 nan 8.230 nan 0.000 0.407 453 T N 5.421 119.836 114.554 -0.231 0.000 2.771 453 T HA 0.486 4.833 4.350 -0.005 0.000 0.281 453 T C -0.509 174.037 174.700 -0.256 0.000 0.982 453 T CA 0.105 62.082 62.100 -0.205 0.000 0.978 453 T CB 0.247 69.057 68.868 -0.097 0.000 0.930 453 T HN 0.247 nan 8.240 nan 0.000 0.447 454 F N 3.491 123.334 119.950 -0.179 0.000 2.423 454 F HA 0.341 4.865 4.527 -0.005 0.000 0.356 454 F C 1.356 177.103 175.800 -0.089 0.000 1.170 454 F CA -0.852 57.091 58.000 -0.095 0.000 1.163 454 F CB 0.224 39.171 39.000 -0.088 0.000 1.318 454 F HN 0.226 nan 8.300 nan 0.000 0.569 455 R N 1.356 121.891 120.500 0.058 0.000 2.594 455 R HA 0.383 4.720 4.340 -0.005 0.000 0.272 455 R C 0.969 177.409 176.300 0.233 0.000 1.074 455 R CA 0.112 56.286 56.100 0.122 0.000 1.105 455 R CB 0.756 31.137 30.300 0.135 0.000 1.008 455 R HN 0.742 nan 8.270 nan 0.000 0.472 456 A N 2.400 125.333 122.820 0.189 0.000 2.147 456 A HA 0.038 4.355 4.320 -0.005 0.000 0.211 456 A C 0.228 177.923 177.584 0.186 0.000 1.160 456 A CA 0.346 52.486 52.037 0.172 0.000 0.781 456 A CB 0.041 19.116 19.000 0.125 0.000 0.842 456 A HN 0.557 nan 8.150 nan 0.000 0.475 457 N N 1.471 120.303 118.700 0.220 0.000 2.473 457 N HA 0.224 4.961 4.740 -0.005 0.000 0.291 457 N C -0.297 175.381 175.510 0.280 0.000 1.083 457 N CA -0.377 52.798 53.050 0.209 0.000 0.951 457 N CB 0.787 39.388 38.487 0.191 0.000 1.164 457 N HN 0.710 nan 8.380 nan 0.000 0.480 458 N N -0.065 118.726 118.700 0.153 0.000 2.418 458 N HA 0.117 4.854 4.740 -0.005 0.000 0.283 458 N C 0.951 176.496 175.510 0.057 0.000 1.267 458 N CA -0.615 52.443 53.050 0.013 0.000 0.975 458 N CB 0.570 39.042 38.487 -0.023 0.000 1.167 458 N HN 0.450 nan 8.380 nan 0.000 0.581 459 F N -0.968 118.929 119.950 -0.088 0.000 2.307 459 F HA 0.019 4.542 4.527 -0.006 0.000 0.301 459 F C 1.037 176.853 175.800 0.026 0.000 1.076 459 F CA 0.477 58.497 58.000 0.032 0.000 1.383 459 F CB -0.733 38.242 39.000 -0.042 0.000 1.055 459 F HN 0.291 nan 8.300 nan 0.000 0.526 460 F N 1.287 120.919 119.950 -0.529 0.000 2.748 460 F HA 0.341 4.864 4.527 -0.006 0.000 0.299 460 F C 2.123 177.892 175.800 -0.053 0.000 1.154 460 F CA 0.549 58.383 58.000 -0.277 0.000 1.446 460 F CB -0.524 38.244 39.000 -0.388 0.000 1.112 460 F HN 0.254 nan 8.300 nan 0.000 0.584 461 G N 0.121 109.025 108.800 0.172 0.000 2.157 461 G HA2 -0.218 3.739 3.960 -0.005 0.000 0.239 461 G HA3 -0.218 3.739 3.960 -0.005 0.000 0.239 461 G C -0.124 174.845 174.900 0.114 0.000 0.982 461 G CA -0.047 45.145 45.100 0.153 0.000 0.650 461 G HN 0.162 nan 8.290 nan 0.000 0.527 462 V N 1.688 121.661 119.914 0.098 0.000 2.472 462 V HA 0.537 4.654 4.120 -0.005 0.000 0.290 462 V C -1.782 174.352 176.094 0.067 0.000 1.037 462 V CA -1.928 60.402 62.300 0.051 0.000 0.908 462 V CB 1.761 33.574 31.823 -0.017 0.000 0.985 462 V HN 0.086 nan 8.190 nan 0.000 0.454 463 P HA 0.118 nan 4.420 nan 0.000 0.267 463 P C -0.306 177.030 177.300 0.061 0.000 1.205 463 P CA 0.081 63.223 63.100 0.069 0.000 0.765 463 P CB 0.183 31.916 31.700 0.055 0.000 0.828 464 Q N 2.044 121.891 119.800 0.079 0.000 2.086 464 Q HA 0.650 4.987 4.340 -0.005 0.000 0.220 464 Q C -0.428 175.621 176.000 0.081 0.000 0.792 464 Q CA -0.640 55.206 55.803 0.071 0.000 1.062 464 Q CB 0.741 29.520 28.738 0.069 0.000 1.198 464 Q HN 0.338 nan 8.270 nan 0.000 0.466 465 A N 0.241 123.114 122.820 0.088 0.000 2.586 465 A HA 0.788 5.105 4.320 -0.005 0.000 0.291 465 A C -1.336 176.299 177.584 0.084 0.000 1.062 465 A CA -0.453 51.641 52.037 0.094 0.000 0.666 465 A CB 0.472 19.541 19.000 0.114 0.000 1.281 465 A HN 0.398 nan 8.150 nan 0.000 0.421 466 A N 0.102 122.967 122.820 0.076 0.000 2.313 466 A HA 0.630 4.946 4.320 -0.005 0.000 0.261 466 A C 1.515 179.145 177.584 0.076 0.000 1.090 466 A CA 0.512 52.587 52.037 0.064 0.000 0.807 466 A CB -0.122 18.906 19.000 0.046 0.000 1.055 466 A HN 2.385 nan 8.150 nan 0.000 0.492 467 A N 0.260 123.122 122.820 0.071 0.000 1.978 467 A HA -0.126 4.191 4.320 -0.005 0.000 0.220 467 A C 1.526 179.161 177.584 0.085 0.000 1.170 467 A CA 2.083 54.168 52.037 0.079 0.000 0.636 467 A CB -0.654 18.390 19.000 0.073 0.000 0.810 467 A HN 0.869 nan 8.150 nan 0.000 0.448 468 E N 0.397 120.642 120.200 0.075 0.000 2.409 468 E HA -0.095 4.252 4.350 -0.005 0.000 0.198 468 E C 1.391 178.048 176.600 0.095 0.000 1.024 468 E CA 0.974 57.422 56.400 0.080 0.000 0.861 468 E CB -0.152 29.583 29.700 0.058 0.000 0.788 468 E HN 0.748 nan 8.360 nan 0.000 0.521 469 E N 0.530 120.792 120.200 0.103 0.000 2.502 469 E HA 0.015 4.361 4.350 -0.005 0.000 0.194 469 E C -0.019 176.635 176.600 0.091 0.000 1.062 469 E CA 0.140 56.618 56.400 0.130 0.000 0.867 469 E CB 0.134 29.930 29.700 0.160 0.000 0.888 469 E HN 0.085 nan 8.360 nan 0.000 0.510 470 T N 2.137 116.737 114.554 0.076 0.000 2.934 470 T HA 0.052 4.398 4.350 -0.005 0.000 0.306 470 T C 0.249 174.926 174.700 -0.039 0.000 1.042 470 T CA 0.309 62.420 62.100 0.018 0.000 1.145 470 T CB 0.421 69.296 68.868 0.011 0.000 0.982 470 T HN -0.073 nan 8.240 nan 0.000 0.544 471 R N 1.910 122.354 120.500 -0.093 0.000 2.740 471 R HA 0.423 4.760 4.340 -0.005 0.000 0.282 471 R C -0.481 175.721 176.300 -0.163 0.000 0.969 471 R CA -0.705 55.355 56.100 -0.066 0.000 0.918 471 R CB 1.236 31.485 30.300 -0.084 0.000 1.175 471 R HN 0.689 nan 8.270 nan 0.000 0.464 472 H N 1.322 120.469 119.070 0.128 0.000 2.495 472 H HA 0.303 4.856 4.556 -0.005 0.000 0.348 472 H C -0.651 174.739 175.328 0.104 0.000 1.113 472 H CA -0.494 55.617 56.048 0.106 0.000 1.195 472 H CB 2.780 32.574 29.762 0.053 0.000 1.521 472 H HN 0.320 nan 8.280 nan 0.000 0.509 473 Q N 1.345 121.255 119.800 0.183 0.000 2.330 473 Q HA 0.486 4.823 4.340 -0.005 0.000 0.269 473 Q C -0.009 176.027 176.000 0.060 0.000 1.022 473 Q CA -0.666 55.207 55.803 0.117 0.000 0.796 473 Q CB 1.800 30.604 28.738 0.110 0.000 1.271 473 Q HN 0.822 nan 8.270 nan 0.000 0.450 474 A N 3.749 126.598 122.820 0.048 0.000 1.898 474 A HA -0.098 4.218 4.320 -0.005 0.000 0.216 474 A C 0.710 178.303 177.584 0.015 0.000 1.181 474 A CA 1.084 53.135 52.037 0.022 0.000 0.620 474 A CB -0.063 18.948 19.000 0.019 0.000 0.819 474 A HN 0.759 nan 8.150 nan 0.000 0.442 475 E N -0.449 119.769 120.200 0.029 0.000 2.115 475 E HA 0.305 4.652 4.350 -0.005 0.000 0.282 475 E C -1.253 175.370 176.600 0.039 0.000 0.987 475 E CA -0.848 55.594 56.400 0.069 0.000 0.797 475 E CB 0.356 30.113 29.700 0.095 0.000 1.086 475 E HN 0.389 nan 8.360 nan 0.000 0.397 476 Y N 4.068 124.364 120.300 -0.007 0.000 2.526 476 Y HA 0.030 4.577 4.550 -0.005 0.000 0.330 476 Y C -0.645 175.277 175.900 0.037 0.000 1.156 476 Y CA 0.468 58.534 58.100 -0.056 0.000 1.419 476 Y CB 0.615 39.082 38.460 0.011 0.000 1.250 476 Y HN 0.499 nan 8.280 nan 0.000 0.540 477 Q N 4.858 124.151 119.800 -0.844 0.000 2.310 477 Q HA 0.187 4.524 4.340 -0.005 0.000 0.270 477 Q C -1.007 174.625 176.000 -0.612 0.000 1.025 477 Q CA -0.907 54.610 55.803 -0.477 0.000 0.772 477 Q CB 1.234 29.827 28.738 -0.241 0.000 1.253 477 Q HN 0.601 nan 8.270 nan 0.000 0.450 478 N N 3.752 122.353 118.700 -0.165 0.000 3.050 478 N HA 0.046 4.782 4.740 -0.005 0.000 0.289 478 N C -1.171 174.490 175.510 0.252 0.000 1.209 478 N CA 0.056 53.213 53.050 0.178 0.000 1.154 478 N CB 0.058 38.812 38.487 0.445 0.000 1.444 478 N HN 0.572 nan 8.380 nan 0.000 0.529 479 R N -0.682 119.951 120.500 0.221 0.000 2.831 479 R HA 0.690 5.027 4.340 -0.005 0.000 0.266 479 R C 0.013 176.385 176.300 0.120 0.000 1.051 479 R CA -1.131 55.044 56.100 0.124 0.000 0.943 479 R CB 0.008 30.341 30.300 0.055 0.000 1.228 479 R HN 0.080 nan 8.270 nan 0.000 0.467 480 G N -0.043 108.731 108.800 -0.042 0.000 2.491 480 G HA2 0.142 4.099 3.960 -0.005 0.000 0.238 480 G HA3 0.142 4.099 3.960 -0.005 0.000 0.238 480 G C 0.473 175.380 174.900 0.012 0.000 1.277 480 G CA -0.236 44.788 45.100 -0.126 0.000 0.851 480 G HN 0.604 nan 8.290 nan 0.000 0.573 481 T N 1.011 115.438 114.554 -0.211 0.000 2.737 481 T HA -0.106 4.240 4.350 -0.005 0.000 0.269 481 T C 0.913 175.646 174.700 0.056 0.000 1.040 481 T CA 2.143 64.094 62.100 -0.248 0.000 1.142 481 T CB -0.157 68.556 68.868 -0.258 0.000 0.861 481 T HN 0.841 nan 8.240 nan 0.000 0.456 482 E N 0.457 120.673 120.200 0.026 0.000 2.336 482 E HA 0.599 4.945 4.350 -0.005 0.000 0.267 482 E C -1.439 175.143 176.600 -0.030 0.000 0.906 482 E CA -1.069 55.372 56.400 0.068 0.000 0.781 482 E CB 0.842 30.543 29.700 0.001 0.000 1.261 482 E HN 0.031 nan 8.360 nan 0.000 0.436 483 N N 0.574 119.292 118.700 0.030 0.000 2.258 483 N HA 0.428 5.165 4.740 -0.005 0.000 0.299 483 N C -1.869 173.695 175.510 0.089 0.000 1.047 483 N CA -0.759 52.246 53.050 -0.074 0.000 0.814 483 N CB 1.465 39.819 38.487 -0.222 0.000 1.413 483 N HN 0.647 nan 8.380 nan 0.000 0.478 484 D N 1.222 121.627 120.400 0.009 0.000 2.857 484 D HA 0.343 4.980 4.640 -0.005 0.000 0.227 484 D C -1.156 175.208 176.300 0.106 0.000 1.192 484 D CA -0.522 53.536 54.000 0.097 0.000 0.857 484 D CB 1.930 42.732 40.800 0.003 0.000 1.645 484 D HN 0.355 nan 8.370 nan 0.000 0.482 485 M N 2.082 121.799 119.600 0.196 0.000 2.395 485 M HA 0.514 4.991 4.480 -0.005 0.000 0.307 485 M C -2.103 174.240 176.300 0.071 0.000 1.091 485 M CA -0.710 54.686 55.300 0.159 0.000 0.919 485 M CB 1.827 34.603 32.600 0.294 0.000 1.662 485 M HN 0.419 nan 8.290 nan 0.000 0.440 486 I N 4.908 125.432 120.570 -0.077 0.000 2.436 486 I HA 0.471 4.638 4.170 -0.005 0.000 0.289 486 I C -1.036 174.910 176.117 -0.284 0.000 1.010 486 I CA -0.564 60.548 61.300 -0.312 0.000 1.098 486 I CB 2.068 39.769 38.000 -0.499 0.000 1.266 486 I HN 0.346 nan 8.210 nan 0.000 0.434 487 V N 6.568 126.288 119.914 -0.324 0.000 2.378 487 V HA 0.432 4.548 4.120 -0.005 0.000 0.288 487 V C -0.546 175.355 176.094 -0.321 0.000 1.016 487 V CA -0.549 61.646 62.300 -0.175 0.000 0.840 487 V CB 1.043 32.894 31.823 0.046 0.000 0.994 487 V HN 0.353 nan 8.190 nan 0.000 0.431 488 F N 2.186 122.097 119.950 -0.065 0.000 2.399 488 F HA 0.423 4.947 4.527 -0.006 0.000 0.334 488 F C 1.295 177.079 175.800 -0.027 0.000 1.097 488 F CA -0.406 57.555 58.000 -0.065 0.000 1.076 488 F CB 1.698 40.659 39.000 -0.064 0.000 1.162 488 F HN 0.613 nan 8.300 nan 0.000 0.495 489 S N 2.191 118.014 115.700 0.205 0.000 3.405 489 S HA -0.134 4.333 4.470 -0.005 0.000 0.373 489 S C -2.589 172.057 174.600 0.076 0.000 0.939 489 S CA -0.574 57.697 58.200 0.118 0.000 1.295 489 S CB -1.960 61.301 63.200 0.103 0.000 0.919 489 S HN 0.325 nan 8.310 nan 0.000 0.535 490 P HA 0.132 nan 4.420 nan 0.000 0.267 490 P C 1.359 178.684 177.300 0.042 0.000 1.205 490 P CA -0.019 63.109 63.100 0.046 0.000 0.765 490 P CB 0.608 32.331 31.700 0.039 0.000 0.828 491 T N -1.502 113.075 114.554 0.039 0.000 3.035 491 T HA -0.102 4.245 4.350 -0.005 0.000 0.268 491 T C 1.261 175.979 174.700 0.030 0.000 1.109 491 T CA 1.523 63.642 62.100 0.032 0.000 1.119 491 T CB -1.171 67.713 68.868 0.026 0.000 0.900 491 T HN 0.470 nan 8.240 nan 0.000 0.503 492 T N -0.847 113.728 114.554 0.034 0.000 3.188 492 T HA 0.390 4.737 4.350 -0.005 0.000 0.250 492 T C 0.529 175.252 174.700 0.038 0.000 1.077 492 T CA -0.001 62.120 62.100 0.035 0.000 0.967 492 T CB -0.252 68.639 68.868 0.039 0.000 1.006 492 T HN 0.471 nan 8.240 nan 0.000 0.552 493 S N 0.420 116.141 115.700 0.035 0.000 2.656 493 S HA 0.447 4.914 4.470 -0.005 0.000 0.273 493 S C -0.703 173.915 174.600 0.029 0.000 1.168 493 S CA -0.239 57.981 58.200 0.034 0.000 0.817 493 S CB 1.460 64.680 63.200 0.034 0.000 1.146 493 S HN 0.204 nan 8.310 nan 0.000 0.475 494 D N 0.276 120.693 120.400 0.028 0.000 2.366 494 D HA 0.156 4.792 4.640 -0.005 0.000 0.205 494 D C 0.377 176.695 176.300 0.030 0.000 1.022 494 D CA 0.038 54.055 54.000 0.027 0.000 0.868 494 D CB -0.144 40.670 40.800 0.023 0.000 0.953 494 D HN 0.334 nan 8.370 nan 0.000 0.514 495 R N 1.452 121.968 120.500 0.028 0.000 2.491 495 R HA 0.140 4.477 4.340 -0.005 0.000 0.283 495 R C -1.584 174.734 176.300 0.029 0.000 1.072 495 R CA -0.964 55.152 56.100 0.027 0.000 1.048 495 R CB 0.309 30.618 30.300 0.015 0.000 0.983 495 R HN 0.088 nan 8.270 nan 0.000 0.450 496 P HA -0.065 nan 4.420 nan 0.000 0.219 496 P C 0.140 177.490 177.300 0.083 0.000 1.150 496 P CA 0.952 64.103 63.100 0.087 0.000 0.814 496 P CB 0.317 32.089 31.700 0.121 0.000 0.787 497 V N -0.792 119.109 119.914 -0.021 0.000 2.876 497 V HA 0.465 4.581 4.120 -0.005 0.000 0.312 497 V C -0.359 175.552 176.094 -0.305 0.000 1.085 497 V CA -0.899 61.251 62.300 -0.250 0.000 0.945 497 V CB 2.556 34.132 31.823 -0.413 0.000 1.017 497 V HN -0.199 nan 8.190 nan 0.000 0.428 498 L N 2.446 123.387 121.223 -0.470 0.000 2.408 498 L HA 0.968 5.305 4.340 -0.005 0.000 0.268 498 L C -0.226 176.139 176.870 -0.842 0.000 0.986 498 L CA -0.598 53.861 54.840 -0.636 0.000 0.820 498 L CB 2.183 43.890 42.059 -0.588 0.000 1.303 498 L HN 0.909 nan 8.230 nan 0.000 0.411 499 A N 2.381 124.602 122.820 -0.998 0.000 2.556 499 A HA 0.907 5.224 4.320 -0.005 0.000 0.294 499 A C -2.050 175.050 177.584 -0.806 0.000 1.091 499 A CA -0.483 51.136 52.037 -0.696 0.000 0.704 499 A CB 1.845 20.573 19.000 -0.453 0.000 1.300 499 A HN 0.683 nan 8.150 nan 0.000 0.406 500 W N 0.590 121.711 121.300 -0.297 0.000 3.167 500 W HA 0.510 5.167 4.660 -0.005 0.000 0.324 500 W C -1.237 175.160 176.519 -0.203 0.000 1.230 500 W CA -0.258 56.893 57.345 -0.323 0.000 1.184 500 W CB 2.305 31.506 29.460 -0.431 0.000 1.414 500 W HN 1.033 nan 8.180 nan 0.000 0.551 501 D N -0.699 119.739 120.400 0.062 0.000 2.759 501 D HA 0.549 5.186 4.640 -0.005 0.000 0.321 501 D C -1.895 174.462 176.300 0.094 0.000 1.267 501 D CA -0.580 53.472 54.000 0.087 0.000 0.933 501 D CB 2.052 42.867 40.800 0.025 0.000 1.431 501 D HN 0.166 nan 8.370 nan 0.000 0.504 502 V N -0.273 119.720 119.914 0.132 0.000 2.737 502 V HA 0.509 4.626 4.120 -0.005 0.000 0.298 502 V C -1.875 174.296 176.094 0.130 0.000 1.163 502 V CA -0.436 61.953 62.300 0.150 0.000 0.925 502 V CB 1.593 33.571 31.823 0.259 0.000 1.037 502 V HN 0.576 nan 8.190 nan 0.000 0.433 503 V N 7.173 127.122 119.914 0.057 0.000 2.327 503 V HA 0.804 4.921 4.120 -0.005 0.000 0.272 503 V C 0.510 176.586 176.094 -0.029 0.000 1.019 503 V CA 0.176 62.485 62.300 0.014 0.000 0.814 503 V CB 1.157 32.960 31.823 -0.033 0.000 1.040 503 V HN 1.167 nan 8.190 nan 0.000 0.440 504 A N 5.801 128.584 122.820 -0.061 0.000 2.312 504 A HA 0.859 5.176 4.320 -0.005 0.000 0.328 504 A C -1.741 175.687 177.584 -0.260 0.000 1.158 504 A CA -1.634 50.284 52.037 -0.199 0.000 0.821 504 A CB 1.314 20.138 19.000 -0.294 0.000 1.170 504 A HN 0.550 nan 8.150 nan 0.000 0.490 505 P HA 0.121 nan 4.420 nan 0.000 0.219 505 P C 0.707 177.860 177.300 -0.244 0.000 1.150 505 P CA 1.631 64.474 63.100 -0.428 0.000 0.814 505 P CB 0.265 31.649 31.700 -0.527 0.000 0.787 506 G N -1.715 106.975 108.800 -0.184 0.000 2.495 506 G HA2 0.204 4.161 3.960 -0.005 0.000 0.294 506 G HA3 0.204 4.161 3.960 -0.005 0.000 0.294 506 G C -0.440 174.421 174.900 -0.065 0.000 1.397 506 G CA -0.178 44.870 45.100 -0.086 0.000 0.790 506 G HN -0.088 nan 8.290 nan 0.000 0.486 507 Q N -0.278 119.497 119.800 -0.041 0.000 2.245 507 Q HA 0.215 4.552 4.340 -0.005 0.000 0.201 507 Q C 1.319 177.325 176.000 0.010 0.000 0.955 507 Q CA 1.577 57.325 55.803 -0.093 0.000 0.870 507 Q CB 0.013 28.643 28.738 -0.181 0.000 0.945 507 Q HN 0.578 nan 8.270 nan 0.000 0.461 508 S N -1.711 114.053 115.700 0.106 0.000 2.617 508 S HA 0.620 5.087 4.470 -0.005 0.000 0.283 508 S C 0.367 175.094 174.600 0.212 0.000 1.189 508 S CA -0.318 58.002 58.200 0.200 0.000 1.036 508 S CB 1.441 64.812 63.200 0.284 0.000 1.014 508 S HN 0.384 nan 8.310 nan 0.000 0.522 509 G N 2.529 111.487 108.800 0.263 0.000 3.735 509 G HA2 0.238 4.195 3.960 -0.005 0.000 0.283 509 G HA3 0.238 4.195 3.960 -0.005 0.000 0.283 509 G C -0.369 174.764 174.900 0.388 0.000 1.007 509 G CA -0.341 44.938 45.100 0.299 0.000 0.821 509 G HN 0.590 nan 8.290 nan 0.000 0.505 510 F N 1.752 121.832 119.950 0.216 0.000 2.412 510 F HA 0.644 5.168 4.527 -0.004 0.000 0.348 510 F C -0.233 175.590 175.800 0.038 0.000 1.102 510 F CA -1.418 56.651 58.000 0.116 0.000 1.196 510 F CB 0.661 39.713 39.000 0.086 0.000 1.144 510 F HN -0.123 nan 8.300 nan 0.000 0.541 511 I N 6.361 126.419 120.570 -0.853 0.000 2.439 511 I HA 0.406 4.573 4.170 -0.005 0.000 0.285 511 I C -0.029 175.397 176.117 -1.152 0.000 1.021 511 I CA -0.969 59.822 61.300 -0.849 0.000 1.091 511 I CB 1.429 39.152 38.000 -0.461 0.000 1.242 511 I HN 0.799 nan 8.210 nan 0.000 0.439 512 A N 7.991 130.204 122.820 -1.013 0.000 2.429 512 A HA 0.349 4.666 4.320 -0.005 0.000 0.242 512 A C -1.533 175.904 177.584 -0.245 0.000 1.088 512 A CA -0.758 50.981 52.037 -0.497 0.000 0.784 512 A CB -0.343 18.571 19.000 -0.142 0.000 1.038 512 A HN 0.594 nan 8.150 nan 0.000 0.501 513 P HA -0.150 nan 4.420 nan 0.000 0.218 513 P C 0.531 177.797 177.300 -0.057 0.000 1.148 513 P CA 1.628 64.699 63.100 -0.048 0.000 0.822 513 P CB -0.117 31.585 31.700 0.004 0.000 0.784 514 D N -1.427 118.939 120.400 -0.056 0.000 2.352 514 D HA 0.060 4.696 4.640 -0.005 0.000 0.232 514 D C 1.340 177.592 176.300 -0.080 0.000 1.055 514 D CA 0.588 54.556 54.000 -0.053 0.000 0.891 514 D CB -1.070 39.709 40.800 -0.035 0.000 0.897 514 D HN 0.261 nan 8.370 nan 0.000 0.529 515 G N -0.434 108.293 108.800 -0.122 0.000 2.143 515 G HA2 -0.257 3.700 3.960 -0.005 0.000 0.249 515 G HA3 -0.257 3.700 3.960 -0.005 0.000 0.249 515 G C 0.257 175.049 174.900 -0.180 0.000 0.981 515 G CA 0.294 45.304 45.100 -0.149 0.000 0.665 515 G HN 0.443 nan 8.290 nan 0.000 0.528 516 T N 1.104 115.552 114.554 -0.176 0.000 2.779 516 T HA 0.462 4.808 4.350 -0.005 0.000 0.296 516 T C 0.597 175.146 174.700 -0.251 0.000 0.938 516 T CA -0.183 61.820 62.100 -0.163 0.000 1.119 516 T CB 2.226 71.038 68.868 -0.094 0.000 0.891 516 T HN 0.314 nan 8.240 nan 0.000 0.526 517 V N 4.018 123.772 119.914 -0.267 0.000 2.583 517 V HA 0.106 4.223 4.120 -0.005 0.000 0.287 517 V C 0.743 176.729 176.094 -0.181 0.000 1.051 517 V CA -0.561 61.511 62.300 -0.379 0.000 1.010 517 V CB 1.361 32.876 31.823 -0.512 0.000 0.988 517 V HN 0.916 nan 8.190 nan 0.000 0.478 518 D N 3.299 123.652 120.400 -0.078 0.000 2.419 518 D HA -0.049 4.588 4.640 -0.005 0.000 0.236 518 D C 1.349 177.686 176.300 0.060 0.000 1.165 518 D CA 0.405 54.475 54.000 0.117 0.000 0.882 518 D CB 0.579 41.553 40.800 0.291 0.000 1.201 518 D HN 0.633 nan 8.370 nan 0.000 0.443 519 K N 1.448 121.839 120.400 -0.015 0.000 2.280 519 K HA -0.194 4.122 4.320 -0.005 0.000 0.202 519 K C 0.326 176.733 176.600 -0.322 0.000 1.047 519 K CA 1.290 57.459 56.287 -0.198 0.000 0.942 519 K CB -0.071 32.236 32.500 -0.321 0.000 0.739 519 K HN 0.602 nan 8.250 nan 0.000 0.457 520 H N -1.283 117.860 119.070 0.122 0.000 2.469 520 H HA 0.070 4.622 4.556 -0.006 0.000 0.286 520 H C 0.095 175.498 175.328 0.125 0.000 1.106 520 H CA -0.426 55.681 56.048 0.099 0.000 1.055 520 H CB 0.351 30.154 29.762 0.069 0.000 1.618 520 H HN 0.198 nan 8.280 nan 0.000 0.559 521 Y N 2.186 122.532 120.300 0.078 0.000 2.293 521 Y HA -0.145 4.402 4.550 -0.006 0.000 0.291 521 Y C 1.215 177.117 175.900 0.003 0.000 1.137 521 Y CA 1.684 59.809 58.100 0.042 0.000 1.202 521 Y CB 0.646 39.113 38.460 0.011 0.000 0.990 521 Y HN 0.420 nan 8.280 nan 0.000 0.537 522 E N -1.455 118.778 120.200 0.055 0.000 2.933 522 E HA 0.058 4.405 4.350 -0.005 0.000 0.175 522 E C -0.095 176.498 176.600 -0.011 0.000 0.932 522 E CA 0.384 56.747 56.400 -0.062 0.000 1.340 522 E CB -0.526 29.177 29.700 0.005 0.000 1.025 522 E HN 0.414 nan 8.360 nan 0.000 0.461 523 D N 0.789 121.212 120.400 0.037 0.000 2.336 523 D HA -0.076 4.560 4.640 -0.005 0.000 0.229 523 D C 1.155 177.476 176.300 0.035 0.000 1.061 523 D CA 0.114 54.146 54.000 0.053 0.000 0.875 523 D CB 0.286 41.150 40.800 0.106 0.000 0.904 523 D HN 0.297 nan 8.370 nan 0.000 0.525 524 Q N -0.643 119.155 119.800 -0.003 0.000 2.189 524 Q HA 0.152 4.489 4.340 -0.005 0.000 0.223 524 Q C 1.397 177.394 176.000 -0.005 0.000 0.828 524 Q CA -0.308 55.498 55.803 0.005 0.000 0.967 524 Q CB 0.555 29.290 28.738 -0.005 0.000 1.139 524 Q HN 0.108 nan 8.270 nan 0.000 0.497 525 L N 1.279 122.461 121.223 -0.069 0.000 2.046 525 L HA -0.151 4.186 4.340 -0.005 0.000 0.208 525 L C 1.897 178.771 176.870 0.007 0.000 1.077 525 L CA 1.856 56.630 54.840 -0.110 0.000 0.747 525 L CB -0.047 41.889 42.059 -0.205 0.000 0.896 525 L HN -0.055 nan 8.230 nan 0.000 0.432 526 K N -1.083 119.328 120.400 0.018 0.000 2.167 526 K HA -0.094 4.223 4.320 -0.005 0.000 0.203 526 K C 2.035 178.663 176.600 0.047 0.000 1.052 526 K CA 1.285 57.592 56.287 0.034 0.000 0.956 526 K CB -0.413 32.103 32.500 0.026 0.000 0.735 526 K HN 0.401 nan 8.250 nan 0.000 0.451 527 M N -0.123 119.513 119.600 0.061 0.000 2.108 527 M HA -0.243 4.234 4.480 -0.005 0.000 0.261 527 M C 2.145 178.501 176.300 0.093 0.000 1.066 527 M CA 1.668 57.011 55.300 0.071 0.000 1.107 527 M CB -0.266 32.377 32.600 0.072 0.000 1.356 527 M HN 0.056 nan 8.290 nan 0.000 0.406 528 Y N 1.117 121.417 120.300 -0.000 0.000 2.097 528 Y HA -0.322 4.225 4.550 -0.005 0.000 0.282 528 Y C 2.329 178.144 175.900 -0.141 0.000 1.152 528 Y CA 2.582 60.679 58.100 -0.004 0.000 1.136 528 Y CB -0.644 37.856 38.460 0.068 0.000 0.975 528 Y HN 0.427 nan 8.280 nan 0.000 0.498 529 E N -0.220 119.977 120.200 -0.004 0.000 2.114 529 E HA -0.275 4.072 4.350 -0.005 0.000 0.199 529 E C 1.279 177.654 176.600 -0.375 0.000 1.008 529 E CA 1.732 58.025 56.400 -0.179 0.000 0.810 529 E CB -0.243 29.448 29.700 -0.015 0.000 0.739 529 E HN 0.477 nan 8.360 nan 0.000 0.456 530 N N -0.428 118.162 118.700 -0.183 0.000 2.383 530 N HA -0.011 4.726 4.740 -0.005 0.000 0.192 530 N C -0.481 175.099 175.510 0.118 0.000 1.141 530 N CA 0.371 53.400 53.050 -0.034 0.000 0.851 530 N CB 0.206 38.719 38.487 0.043 0.000 0.976 530 N HN 0.159 nan 8.380 nan 0.000 0.465 531 F N -1.019 118.928 119.950 -0.005 0.000 3.074 531 F HA -0.202 4.321 4.527 -0.005 0.000 0.289 531 F C 1.280 177.223 175.800 0.239 0.000 0.863 531 F CA 0.476 58.525 58.000 0.081 0.000 1.121 531 F CB -1.872 37.165 39.000 0.061 0.000 1.169 531 F HN -0.021 nan 8.300 nan 0.000 0.570 532 G N 0.174 109.107 108.800 0.220 0.000 2.543 532 G HA2 0.778 4.735 3.960 -0.005 0.000 0.290 532 G HA3 0.778 4.735 3.960 -0.005 0.000 0.290 532 G C -0.174 174.766 174.900 0.067 0.000 1.310 532 G CA -0.340 44.818 45.100 0.096 0.000 1.025 532 G HN 0.465 nan 8.290 nan 0.000 0.502 533 R N -1.346 119.087 120.500 -0.112 0.000 2.664 533 R HA 0.493 4.830 4.340 -0.005 0.000 0.266 533 R C -1.134 175.123 176.300 -0.071 0.000 1.046 533 R CA -1.097 54.919 56.100 -0.141 0.000 0.885 533 R CB 1.392 31.348 30.300 -0.573 0.000 1.254 533 R HN 0.676 nan 8.270 nan 0.000 0.465 534 K N 1.070 121.466 120.400 -0.006 0.000 2.208 534 K HA 0.482 4.798 4.320 -0.005 0.000 0.247 534 K C -0.785 175.753 176.600 -0.103 0.000 0.953 534 K CA -0.790 55.479 56.287 -0.029 0.000 0.837 534 K CB 2.125 34.583 32.500 -0.068 0.000 1.131 534 K HN 0.487 nan 8.250 nan 0.000 0.431 535 S N 1.667 117.143 115.700 -0.375 0.000 2.564 535 S HA 0.199 4.666 4.470 -0.005 0.000 0.278 535 S C -0.087 173.835 174.600 -1.129 0.000 1.333 535 S CA -0.630 56.983 58.200 -0.978 0.000 1.048 535 S CB 0.154 62.439 63.200 -1.524 0.000 0.900 535 S HN 0.404 nan 8.310 nan 0.000 0.505 536 L N 2.839 123.452 121.223 -1.015 0.000 2.282 536 L HA 0.454 4.791 4.340 -0.005 0.000 0.288 536 L C -0.771 175.663 176.870 -0.727 0.000 1.033 536 L CA -0.446 53.973 54.840 -0.702 0.000 0.807 536 L CB 0.832 42.682 42.059 -0.347 0.000 1.209 536 L HN 0.700 nan 8.230 nan 0.000 0.423 537 W N 3.983 125.208 121.300 -0.125 0.000 2.512 537 W HA 0.445 5.102 4.660 -0.006 0.000 0.335 537 W C 0.460 176.967 176.519 -0.021 0.000 1.088 537 W CA -0.646 56.648 57.345 -0.085 0.000 1.236 537 W CB 1.455 30.877 29.460 -0.063 0.000 1.307 537 W HN 0.371 nan 8.180 nan 0.000 0.567 538 L N 1.363 122.742 121.223 0.261 0.000 2.666 538 L HA 0.223 4.560 4.340 -0.005 0.000 0.184 538 L C 1.403 178.345 176.870 0.121 0.000 1.092 538 L CA 0.727 55.680 54.840 0.189 0.000 0.857 538 L CB -0.502 41.627 42.059 0.117 0.000 1.281 538 L HN 0.382 nan 8.230 nan 0.000 0.489 539 T N -1.909 112.703 114.554 0.096 0.000 2.900 539 T HA 0.048 4.394 4.350 -0.005 0.000 0.307 539 T C 1.072 175.735 174.700 -0.062 0.000 1.065 539 T CA -0.024 62.087 62.100 0.017 0.000 1.105 539 T CB 0.693 69.578 68.868 0.028 0.000 0.979 539 T HN 0.265 nan 8.240 nan 0.000 0.544 540 K N 0.531 120.869 120.400 -0.103 0.000 2.063 540 K HA -0.192 4.124 4.320 -0.005 0.000 0.208 540 K C 2.466 178.997 176.600 -0.115 0.000 1.048 540 K CA 1.727 57.935 56.287 -0.131 0.000 0.928 540 K CB -0.218 32.222 32.500 -0.100 0.000 0.713 540 K HN 0.802 nan 8.250 nan 0.000 0.442 541 Q N 0.861 120.605 119.800 -0.094 0.000 2.030 541 Q HA -0.224 4.113 4.340 -0.005 0.000 0.204 541 Q C 1.374 177.267 176.000 -0.178 0.000 0.986 541 Q CA 1.970 57.703 55.803 -0.116 0.000 0.843 541 Q CB 0.016 28.702 28.738 -0.087 0.000 0.904 541 Q HN 0.244 nan 8.270 nan 0.000 0.420 542 D N -0.476 119.824 120.400 -0.166 0.000 2.144 542 D HA -0.119 4.518 4.640 -0.005 0.000 0.199 542 D C 1.968 178.048 176.300 -0.366 0.000 0.984 542 D CA 0.976 54.798 54.000 -0.297 0.000 0.834 542 D CB -0.041 40.668 40.800 -0.152 0.000 0.955 542 D HN 0.142 nan 8.370 nan 0.000 0.465 543 V N 1.384 121.184 119.914 -0.189 0.000 2.307 543 V HA -0.170 3.947 4.120 -0.005 0.000 0.245 543 V C 2.400 178.401 176.094 -0.155 0.000 1.045 543 V CA 1.381 63.601 62.300 -0.132 0.000 1.024 543 V CB -0.308 31.471 31.823 -0.074 0.000 0.651 543 V HN 0.101 nan 8.190 nan 0.000 0.449 544 E N 0.562 120.664 120.200 -0.163 0.000 2.077 544 E HA -0.169 4.178 4.350 -0.005 0.000 0.193 544 E C 2.363 178.835 176.600 -0.213 0.000 0.989 544 E CA 1.549 57.859 56.400 -0.150 0.000 0.800 544 E CB -0.557 29.065 29.700 -0.131 0.000 0.746 544 E HN 0.558 nan 8.360 nan 0.000 0.452 545 A N 0.903 123.525 122.820 -0.331 0.000 2.070 545 A HA -0.157 4.160 4.320 -0.005 0.000 0.220 545 A C 1.439 178.613 177.584 -0.683 0.000 1.159 545 A CA 1.195 52.924 52.037 -0.513 0.000 0.656 545 A CB -0.415 18.197 19.000 -0.647 0.000 0.800 545 A HN 0.233 nan 8.150 nan 0.000 0.453 546 H N -1.260 117.610 119.070 -0.334 0.000 2.528 546 H HA 0.189 4.742 4.556 -0.006 0.000 0.282 546 H C 0.080 175.348 175.328 -0.099 0.000 1.097 546 H CA -0.208 55.696 56.048 -0.241 0.000 1.121 546 H CB 0.019 29.524 29.762 -0.430 0.000 1.590 546 H HN 0.471 nan 8.280 nan 0.000 0.553 547 K N 2.331 122.710 120.400 -0.035 0.000 2.448 547 K HA -0.045 4.272 4.320 -0.005 0.000 0.278 547 K C 1.103 177.719 176.600 0.027 0.000 1.009 547 K CA 0.156 56.443 56.287 0.001 0.000 0.995 547 K CB 0.721 33.202 32.500 -0.031 0.000 0.917 547 K HN 0.467 nan 8.250 nan 0.000 0.481 548 E N 1.608 121.840 120.200 0.053 0.000 2.413 548 E HA 0.051 4.397 4.350 -0.005 0.000 0.203 548 E C -0.355 176.277 176.600 0.054 0.000 0.957 548 E CA -0.265 56.176 56.400 0.067 0.000 0.950 548 E CB 0.493 30.261 29.700 0.113 0.000 0.957 548 E HN 0.469 nan 8.360 nan 0.000 0.497 549 S N -0.716 115.010 115.700 0.044 0.000 2.611 549 S HA 0.393 4.860 4.470 -0.005 0.000 0.268 549 S C -1.370 173.244 174.600 0.024 0.000 1.156 549 S CA -0.997 57.224 58.200 0.035 0.000 0.817 549 S CB 1.889 65.117 63.200 0.046 0.000 1.122 549 S HN 0.146 nan 8.310 nan 0.000 0.466 550 Q N -0.029 119.782 119.800 0.018 0.000 2.340 550 Q HA 0.561 4.898 4.340 -0.005 0.000 0.276 550 Q C -2.093 173.912 176.000 0.009 0.000 1.048 550 Q CA -0.310 55.500 55.803 0.011 0.000 0.832 550 Q CB 2.176 30.917 28.738 0.005 0.000 1.373 550 Q HN 0.830 nan 8.270 nan 0.000 0.409 551 E N 2.594 122.797 120.200 0.004 0.000 2.278 551 E HA 0.489 4.836 4.350 -0.005 0.000 0.272 551 E C -1.801 174.788 176.600 -0.018 0.000 0.890 551 E CA -0.605 55.794 56.400 -0.001 0.000 0.770 551 E CB 2.031 31.730 29.700 -0.001 0.000 1.212 551 E HN 0.370 nan 8.360 nan 0.000 0.415 552 V N 5.536 125.436 119.914 -0.023 0.000 2.513 552 V HA 0.478 4.595 4.120 -0.005 0.000 0.299 552 V C -0.191 175.833 176.094 -0.117 0.000 1.035 552 V CA -0.616 61.636 62.300 -0.078 0.000 0.889 552 V CB 1.433 33.222 31.823 -0.055 0.000 0.988 552 V HN 0.638 nan 8.190 nan 0.000 0.440 553 L N 4.180 125.276 121.223 -0.213 0.000 2.342 553 L HA 0.635 4.971 4.340 -0.005 0.000 0.271 553 L C -1.057 175.582 176.870 -0.386 0.000 1.008 553 L CA -0.757 53.980 54.840 -0.172 0.000 0.818 553 L CB 2.020 44.027 42.059 -0.086 0.000 1.296 553 L HN 0.652 nan 8.230 nan 0.000 0.427 554 H N 1.087 120.161 119.070 0.007 0.000 2.708 554 H HA 0.629 5.187 4.556 0.002 0.000 0.320 554 H C -1.063 174.269 175.328 0.007 0.000 0.991 554 H CA -0.402 55.650 56.048 0.008 0.000 1.243 554 H CB 1.837 31.603 29.762 0.007 0.000 1.446 554 H HN 0.170 nan 8.280 nan 0.000 0.502 555 V N 2.814 122.773 119.914 0.074 0.000 2.841 555 V HA 0.379 4.496 4.120 -0.005 0.000 0.310 555 V C -0.765 175.355 176.094 0.044 0.000 1.090 555 V CA -0.845 61.485 62.300 0.049 0.000 0.930 555 V CB 2.257 34.092 31.823 0.019 0.000 1.014 555 V HN 0.598 nan 8.190 nan 0.000 0.425 556 Q N 2.482 122.303 119.800 0.036 0.000 2.372 556 Q HA 0.554 4.891 4.340 -0.005 0.000 0.273 556 Q C -0.411 175.601 176.000 0.020 0.000 1.078 556 Q CA -0.550 55.270 55.803 0.029 0.000 0.806 556 Q CB 2.109 30.865 28.738 0.030 0.000 1.332 556 Q HN 0.741 nan 8.270 nan 0.000 0.435 557 R N 0.000 120.511 120.500 0.018 0.000 2.786 557 R HA 0.000 4.337 4.340 -0.005 0.000 0.208 557 R CA 0.000 56.108 56.100 0.013 0.000 0.921 557 R CB 0.000 30.308 30.300 0.013 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535