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 1okw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKI GEGTYGVVYK ARNKLTGEVV ALKKIRLDTE TEGVPSTAIR DATA SEQUENCE EISLLKELNH PNIVKLLDVI HTENKLYLVF EFLHQDLKKF MDASALTGIP DATA SEQUENCE LPLIKSYLFQ LLQGLAFCHS HRVLHRDLKP QNLLINTEGA IKLADFGLAR DATA SEQUENCE AFGVPVRTYT HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHL 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 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.291 176.300 -0.015 0.000 1.140 1 M CA 0.000 55.251 55.300 -0.081 0.000 0.988 1 M CB 0.000 32.372 32.600 -0.380 0.000 1.302 2 E N 0.768 120.949 120.200 -0.033 0.000 2.208 2 E HA 0.051 4.401 4.350 -0.001 0.000 0.193 2 E C 1.237 177.780 176.600 -0.095 0.000 0.988 2 E CA 1.033 57.401 56.400 -0.053 0.000 0.828 2 E CB -0.154 29.517 29.700 -0.049 0.000 0.763 2 E HN 0.380 8.740 8.360 -0.000 0.000 0.478 3 N N 0.007 118.606 118.700 -0.168 0.000 2.461 3 N HA 0.019 4.759 4.740 -0.001 0.000 0.188 3 N C -0.716 174.474 175.510 -0.534 0.000 1.134 3 N CA 0.387 53.232 53.050 -0.341 0.000 0.878 3 N CB 0.120 38.346 38.487 -0.434 0.000 0.972 3 N HN 0.084 8.464 8.380 -0.000 0.000 0.456 4 F N 0.606 120.494 119.950 -0.104 0.000 2.443 4 F HA 0.340 4.867 4.527 -0.000 0.000 0.335 4 F C 0.472 176.212 175.800 -0.099 0.000 1.104 4 F CA -1.101 56.837 58.000 -0.103 0.000 1.013 4 F CB 1.576 40.495 39.000 -0.135 0.000 1.136 4 F HN -0.228 8.072 8.300 -0.000 0.000 0.470 5 Q N 3.555 123.413 119.800 0.097 0.000 2.327 5 Q HA 0.361 4.701 4.340 -0.001 0.000 0.270 5 Q C -1.265 174.759 176.000 0.039 0.000 1.022 5 Q CA -0.782 55.038 55.803 0.029 0.000 0.773 5 Q CB 1.330 30.064 28.738 -0.007 0.000 1.251 5 Q HN 0.513 8.783 8.270 -0.000 0.000 0.457 6 K N 2.108 122.509 120.400 0.000 0.000 2.326 6 K HA 0.268 4.588 4.320 -0.001 0.000 0.275 6 K C 0.016 176.637 176.600 0.036 0.000 1.018 6 K CA 0.010 56.294 56.287 -0.005 0.000 0.962 6 K CB 1.079 33.492 32.500 -0.144 0.000 0.953 6 K HN 0.566 8.816 8.250 -0.000 0.000 0.475 7 V N 1.563 121.529 119.914 0.086 0.000 3.058 7 V HA 0.064 4.184 4.120 -0.001 0.000 0.233 7 V C -0.457 175.702 176.094 0.108 0.000 1.255 7 V CA 0.547 62.885 62.300 0.064 0.000 1.267 7 V CB 0.259 32.092 31.823 0.017 0.000 1.049 7 V HN 0.966 9.156 8.190 -0.000 0.000 0.486 8 E N 0.205 120.511 120.200 0.176 0.000 2.388 8 E HA 0.332 4.682 4.350 -0.001 0.000 0.282 8 E C -1.024 175.677 176.600 0.168 0.000 1.026 8 E CA -0.946 55.561 56.400 0.179 0.000 0.820 8 E CB 1.505 31.260 29.700 0.091 0.000 1.226 8 E HN 0.167 8.527 8.360 -0.000 0.000 0.432 9 K N 2.559 122.943 120.400 -0.026 0.000 2.448 9 K HA 0.147 4.466 4.320 -0.001 0.000 0.278 9 K C 0.343 176.870 176.600 -0.123 0.000 1.009 9 K CA 0.198 56.264 56.287 -0.368 0.000 0.995 9 K CB 0.307 32.518 32.500 -0.482 0.000 0.917 9 K HN 0.664 8.914 8.250 -0.000 0.000 0.481 10 I N 0.811 121.319 120.570 -0.102 0.000 3.426 10 I HA 0.494 4.664 4.170 -0.001 0.000 0.329 10 I C 0.184 176.277 176.117 -0.039 0.000 1.553 10 I CA -0.419 60.876 61.300 -0.007 0.000 1.019 10 I CB 0.274 38.337 38.000 0.104 0.000 1.376 10 I HN 0.863 9.073 8.210 -0.000 0.000 0.525 11 G N 1.500 110.250 108.800 -0.084 0.000 2.479 11 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.686 11 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.686 11 G C -1.211 173.640 174.900 -0.080 0.000 1.295 11 G CA -0.570 44.486 45.100 -0.074 0.000 0.922 11 G HN 0.509 8.799 8.290 -0.000 0.000 0.582 12 E N -0.815 119.345 120.200 -0.066 0.000 2.428 12 E HA 0.848 5.198 4.350 -0.001 0.000 0.259 12 E C 0.378 176.941 176.600 -0.061 0.000 0.930 12 E CA -0.755 55.614 56.400 -0.052 0.000 0.823 12 E CB 2.171 31.845 29.700 -0.043 0.000 1.403 12 E HN 1.894 10.254 8.360 -0.000 0.000 0.415 13 G N 0.041 108.805 108.800 -0.060 0.000 2.435 13 G HA2 0.269 4.229 3.960 -0.001 0.000 0.296 13 G HA3 0.269 4.229 3.960 -0.001 0.000 0.296 13 G C -0.956 173.875 174.900 -0.115 0.000 1.240 13 G CA -0.268 44.769 45.100 -0.105 0.000 0.872 13 G HN 0.575 8.865 8.290 -0.000 0.000 0.480 14 T N -1.268 113.160 114.554 -0.211 0.000 2.905 14 T HA 0.360 4.709 4.350 -0.001 0.000 0.299 14 T C 0.421 174.945 174.700 -0.293 0.000 1.024 14 T CA 1.445 63.383 62.100 -0.270 0.000 1.151 14 T CB 0.624 69.243 68.868 -0.414 0.000 0.987 14 T HN 1.392 9.632 8.240 -0.000 0.000 0.535 15 Y N 0.530 120.837 120.300 0.011 0.000 2.738 15 Y HA 0.044 4.594 4.550 -0.001 0.000 0.468 15 Y C 0.858 176.767 175.900 0.015 0.000 1.328 15 Y CA 1.000 59.111 58.100 0.018 0.000 2.377 15 Y CB -1.728 36.755 38.460 0.038 0.000 1.156 15 Y HN 1.732 10.012 8.280 -0.000 0.000 0.572 16 G N -0.409 108.508 108.800 0.195 0.000 2.435 16 G HA2 0.513 4.473 3.960 -0.001 0.000 0.603 16 G HA3 0.513 4.473 3.960 -0.001 0.000 0.603 16 G C -0.510 174.445 174.900 0.091 0.000 1.496 16 G CA -0.189 44.973 45.100 0.103 0.000 0.896 16 G HN 1.596 9.886 8.290 -0.000 0.000 0.657 17 V N -1.805 118.123 119.914 0.023 0.000 3.370 17 V HA 0.013 4.132 4.120 -0.001 0.000 0.272 17 V C 0.531 176.604 176.094 -0.035 0.000 1.784 17 V CA 0.575 62.835 62.300 -0.067 0.000 1.705 17 V CB -0.889 30.851 31.823 -0.138 0.000 0.943 17 V HN 1.822 10.012 8.190 -0.000 0.000 0.391 18 V N 7.106 126.972 119.914 -0.080 0.000 2.407 18 V HA 0.494 4.614 4.120 -0.001 0.000 0.278 18 V C -0.031 176.007 176.094 -0.092 0.000 1.037 18 V CA -0.302 62.007 62.300 0.014 0.000 0.900 18 V CB 1.264 33.107 31.823 0.034 0.000 0.983 18 V HN 0.823 9.013 8.190 -0.000 0.000 0.459 19 Y N 3.300 123.660 120.300 0.100 0.000 2.330 19 Y HA 0.402 4.952 4.550 -0.001 0.000 0.336 19 Y C 0.521 176.476 175.900 0.091 0.000 1.036 19 Y CA -0.555 57.596 58.100 0.086 0.000 1.125 19 Y CB 1.381 39.884 38.460 0.072 0.000 1.194 19 Y HN 0.556 8.836 8.280 -0.000 0.000 0.469 20 K N 2.745 123.274 120.400 0.214 0.000 2.368 20 K HA 0.658 4.978 4.320 -0.001 0.000 0.282 20 K C -0.966 175.681 176.600 0.079 0.000 1.035 20 K CA -0.059 56.289 56.287 0.102 0.000 0.973 20 K CB 0.321 32.818 32.500 -0.005 0.000 0.957 20 K HN 0.752 9.002 8.250 -0.000 0.000 0.474 21 A N 4.212 127.055 122.820 0.038 0.000 2.515 21 A HA 0.647 4.966 4.320 -0.001 0.000 0.296 21 A C -1.405 176.229 177.584 0.084 0.000 1.094 21 A CA -1.158 50.925 52.037 0.076 0.000 0.718 21 A CB 1.210 20.270 19.000 0.100 0.000 1.307 21 A HN 0.931 9.081 8.150 -0.000 0.000 0.408 22 R N 1.394 121.961 120.500 0.112 0.000 2.599 22 R HA 0.473 4.812 4.340 -0.001 0.000 0.295 22 R C -1.102 175.239 176.300 0.068 0.000 0.963 22 R CA -0.779 55.372 56.100 0.085 0.000 0.883 22 R CB 1.329 31.626 30.300 -0.005 0.000 1.171 22 R HN 0.590 8.860 8.270 -0.000 0.000 0.450 23 N N 2.734 121.429 118.700 -0.008 0.000 2.416 23 N HA 0.002 4.742 4.740 -0.001 0.000 0.265 23 N C 0.008 175.390 175.510 -0.212 0.000 1.195 23 N CA 0.174 53.042 53.050 -0.304 0.000 0.943 23 N CB 1.099 39.430 38.487 -0.260 0.000 1.115 23 N HN 0.664 9.044 8.380 -0.000 0.000 0.481 24 K N 3.028 123.282 120.400 -0.244 0.000 2.283 24 K HA -0.003 4.317 4.320 -0.001 0.000 0.202 24 K C 1.364 177.882 176.600 -0.136 0.000 1.048 24 K CA 0.852 57.048 56.287 -0.152 0.000 0.948 24 K CB 0.332 32.748 32.500 -0.141 0.000 0.742 24 K HN 0.554 8.804 8.250 -0.000 0.000 0.458 25 L N -0.303 120.819 121.223 -0.169 0.000 2.298 25 L HA -0.035 4.305 4.340 -0.001 0.000 0.209 25 L C 2.286 179.098 176.870 -0.097 0.000 1.084 25 L CA 1.063 55.828 54.840 -0.126 0.000 0.816 25 L CB -0.089 41.888 42.059 -0.137 0.000 0.967 25 L HN 0.221 8.451 8.230 -0.000 0.000 0.460 26 T N -4.993 109.500 114.554 -0.103 0.000 3.001 26 T HA 0.282 4.632 4.350 -0.001 0.000 0.251 26 T C 1.499 176.169 174.700 -0.050 0.000 1.040 26 T CA 0.563 62.623 62.100 -0.067 0.000 0.985 26 T CB 0.967 69.800 68.868 -0.059 0.000 1.011 26 T HN 0.366 8.606 8.240 -0.000 0.000 0.509 27 G N 1.538 110.303 108.800 -0.058 0.000 2.225 27 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.254 27 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.254 27 G C -0.073 174.814 174.900 -0.022 0.000 0.988 27 G CA 0.281 45.358 45.100 -0.039 0.000 0.625 27 G HN 0.875 9.165 8.290 -0.000 0.000 0.527 28 E N 0.614 120.809 120.200 -0.009 0.000 2.465 28 E HA 0.345 4.694 4.350 -0.001 0.000 0.260 28 E C 0.258 176.885 176.600 0.045 0.000 0.980 28 E CA -0.181 56.236 56.400 0.029 0.000 0.927 28 E CB 0.528 30.261 29.700 0.056 0.000 0.934 28 E HN 0.184 8.544 8.360 -0.000 0.000 0.459 29 V N 6.261 126.193 119.914 0.030 0.000 2.407 29 V HA 0.285 4.405 4.120 -0.001 0.000 0.278 29 V C 0.203 176.333 176.094 0.060 0.000 1.037 29 V CA -0.344 61.942 62.300 -0.022 0.000 0.900 29 V CB 0.964 32.675 31.823 -0.187 0.000 0.983 29 V HN 0.572 8.762 8.190 -0.000 0.000 0.459 30 V N 2.411 122.374 119.914 0.081 0.000 3.126 30 V HA 1.024 5.144 4.120 -0.001 0.000 0.314 30 V C -0.051 176.164 176.094 0.203 0.000 1.138 30 V CA -1.059 61.343 62.300 0.171 0.000 1.034 30 V CB 2.020 33.924 31.823 0.134 0.000 1.075 30 V HN 0.960 9.150 8.190 -0.000 0.000 0.442 31 A N 2.169 125.166 122.820 0.295 0.000 2.276 31 A HA 0.786 5.106 4.320 -0.001 0.000 0.316 31 A C -0.571 177.149 177.584 0.225 0.000 1.229 31 A CA -0.604 51.612 52.037 0.299 0.000 0.851 31 A CB 0.498 19.694 19.000 0.326 0.000 1.165 31 A HN 0.927 9.077 8.150 -0.000 0.000 0.513 32 L N 3.204 124.536 121.223 0.181 0.000 2.265 32 L HA 0.330 4.670 4.340 -0.001 0.000 0.289 32 L C -0.093 176.925 176.870 0.246 0.000 1.033 32 L CA -0.283 54.646 54.840 0.148 0.000 0.814 32 L CB 1.363 43.477 42.059 0.092 0.000 1.203 32 L HN 0.717 8.947 8.230 -0.000 0.000 0.423 33 K N 4.939 125.495 120.400 0.260 0.000 2.234 33 K HA 0.313 4.632 4.320 -0.001 0.000 0.277 33 K C -0.498 176.180 176.600 0.130 0.000 1.038 33 K CA -0.555 55.877 56.287 0.243 0.000 0.888 33 K CB 1.783 34.492 32.500 0.349 0.000 1.091 33 K HN 0.458 8.708 8.250 -0.000 0.000 0.467 34 K N 3.456 123.924 120.400 0.113 0.000 2.259 34 K HA 0.493 4.812 4.320 -0.001 0.000 0.252 34 K C -0.927 175.618 176.600 -0.092 0.000 0.936 34 K CA -0.666 55.576 56.287 -0.074 0.000 0.810 34 K CB 1.188 33.625 32.500 -0.105 0.000 1.143 34 K HN 0.407 8.657 8.250 -0.000 0.000 0.427 35 I N 2.760 123.203 120.570 -0.212 0.000 2.436 35 I HA 0.297 4.466 4.170 -0.001 0.000 0.289 35 I C 0.277 176.307 176.117 -0.146 0.000 1.010 35 I CA -0.842 60.377 61.300 -0.134 0.000 1.098 35 I CB 2.037 39.937 38.000 -0.166 0.000 1.266 35 I HN 0.688 8.898 8.210 -0.000 0.000 0.434 36 R N 5.566 126.022 120.500 -0.073 0.000 2.721 36 R HA 0.333 4.672 4.340 -0.001 0.000 0.296 36 R C 0.464 176.742 176.300 -0.037 0.000 1.174 36 R CA -0.266 55.797 56.100 -0.062 0.000 1.129 36 R CB -0.227 30.059 30.300 -0.023 0.000 1.316 36 R HN 0.643 8.913 8.270 -0.000 0.000 0.571 37 L N 2.942 124.140 121.223 -0.041 0.000 4.564 37 L HA -0.266 4.073 4.340 -0.001 0.000 0.491 37 L C -0.654 176.210 176.870 -0.009 0.000 1.026 37 L CA 0.581 55.407 54.840 -0.022 0.000 0.596 37 L CB -1.122 40.922 42.059 -0.026 0.000 1.435 37 L HN 0.480 8.710 8.230 -0.000 0.000 0.698 38 D N -1.050 119.348 120.400 -0.002 0.000 2.372 38 D HA 0.103 4.743 4.640 -0.001 0.000 0.243 38 D C 0.472 176.775 176.300 0.006 0.000 1.121 38 D CA -0.253 53.749 54.000 0.003 0.000 0.898 38 D CB 0.865 41.668 40.800 0.006 0.000 1.202 38 D HN 0.183 8.553 8.370 -0.000 0.000 0.428 39 T N 0.916 115.473 114.554 0.005 0.000 3.275 39 T HA 0.158 4.508 4.350 -0.001 0.000 0.265 39 T C 0.440 175.144 174.700 0.006 0.000 0.978 39 T CA -0.332 61.771 62.100 0.005 0.000 0.923 39 T CB -0.178 68.691 68.868 0.003 0.000 1.126 39 T HN 0.657 8.897 8.240 -0.000 0.000 0.538 40 E N 0.256 120.461 120.200 0.007 0.000 2.568 40 E HA 0.088 4.437 4.350 -0.001 0.000 0.220 40 E C 1.418 178.023 176.600 0.009 0.000 0.869 40 E CA 0.445 56.849 56.400 0.007 0.000 1.268 40 E CB 0.374 30.078 29.700 0.007 0.000 1.252 40 E HN 0.299 8.659 8.360 -0.000 0.000 0.606 41 T N -0.831 113.729 114.554 0.010 0.000 3.610 41 T HA 0.224 4.574 4.350 -0.001 0.000 0.209 41 T C 0.939 175.648 174.700 0.014 0.000 0.889 41 T CA 0.396 62.504 62.100 0.012 0.000 1.469 41 T CB -0.227 68.649 68.868 0.014 0.000 1.557 41 T HN -0.070 8.170 8.240 -0.000 0.000 0.431 42 E N 0.009 120.219 120.200 0.017 0.000 2.676 42 E HA 0.416 4.766 4.350 -0.001 0.000 0.225 42 E C 0.722 177.335 176.600 0.022 0.000 0.944 42 E CA 0.468 56.880 56.400 0.019 0.000 1.156 42 E CB 0.513 30.226 29.700 0.022 0.000 1.117 42 E HN 0.756 9.116 8.360 -0.000 0.000 0.523 43 G N 0.224 109.036 108.800 0.020 0.000 2.569 43 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.259 43 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.259 43 G C -0.198 174.718 174.900 0.026 0.000 1.263 43 G CA -0.270 44.844 45.100 0.023 0.000 0.928 43 G HN 0.239 8.529 8.290 -0.000 0.000 0.572 44 V N 3.415 123.347 119.914 0.030 0.000 2.493 44 V HA 0.325 4.444 4.120 -0.001 0.000 0.292 44 V C -1.127 174.991 176.094 0.040 0.000 1.016 44 V CA -0.049 62.268 62.300 0.028 0.000 1.097 44 V CB 0.531 32.372 31.823 0.029 0.000 0.947 44 V HN 0.676 8.866 8.190 -0.000 0.000 0.479 45 P HA 0.162 4.582 4.420 -0.000 0.000 0.271 45 P C 0.848 178.206 177.300 0.096 0.000 1.218 45 P CA -0.248 62.901 63.100 0.082 0.000 0.780 45 P CB 0.646 32.418 31.700 0.121 0.000 0.901 46 S N 0.105 115.859 115.700 0.090 0.000 2.428 46 S HA -0.153 4.317 4.470 -0.001 0.000 0.230 46 S C 1.617 176.291 174.600 0.123 0.000 1.014 46 S CA 1.525 59.779 58.200 0.091 0.000 0.957 46 S CB -1.711 61.534 63.200 0.075 0.000 0.784 46 S HN 0.620 8.930 8.310 -0.000 0.000 0.499 47 T N 1.307 115.951 114.554 0.151 0.000 2.746 47 T HA 0.040 4.390 4.350 -0.001 0.000 0.267 47 T C 2.056 176.946 174.700 0.316 0.000 1.039 47 T CA 1.149 63.359 62.100 0.183 0.000 1.142 47 T CB -0.956 67.992 68.868 0.132 0.000 0.866 47 T HN 0.541 8.781 8.240 -0.000 0.000 0.444 48 A N 1.750 124.795 122.820 0.375 0.000 1.933 48 A HA 0.061 4.381 4.320 -0.001 0.000 0.218 48 A C 2.385 180.030 177.584 0.101 0.000 1.175 48 A CA 1.202 53.359 52.037 0.200 0.000 0.628 48 A CB -0.737 18.232 19.000 -0.051 0.000 0.814 48 A HN 0.459 8.609 8.150 -0.000 0.000 0.444 49 I N -0.479 120.146 120.570 0.091 0.000 2.286 49 I HA -0.188 3.982 4.170 -0.001 0.000 0.248 49 I C 2.540 178.702 176.117 0.076 0.000 1.115 49 I CA 1.535 62.872 61.300 0.062 0.000 1.392 49 I CB -1.073 36.963 38.000 0.060 0.000 1.065 49 I HN 0.345 8.555 8.210 -0.000 0.000 0.418 50 R N 0.189 120.755 120.500 0.110 0.000 2.075 50 R HA -0.086 4.254 4.340 -0.001 0.000 0.220 50 R C 2.208 178.589 176.300 0.134 0.000 1.118 50 R CA 0.794 56.963 56.100 0.116 0.000 0.986 50 R CB -0.182 30.192 30.300 0.123 0.000 0.884 50 R HN 0.298 8.568 8.270 -0.000 0.000 0.439 51 E N 1.002 121.311 120.200 0.182 0.000 2.051 51 E HA -0.189 4.161 4.350 -0.001 0.000 0.192 51 E C 1.743 178.414 176.600 0.118 0.000 0.991 51 E CA 1.348 57.877 56.400 0.216 0.000 0.799 51 E CB -0.010 29.909 29.700 0.364 0.000 0.748 51 E HN 0.251 8.611 8.360 -0.000 0.000 0.449 52 I N 0.767 121.383 120.570 0.077 0.000 2.252 52 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 52 I C 2.561 178.671 176.117 -0.011 0.000 1.102 52 I CA 1.303 62.600 61.300 -0.006 0.000 1.385 52 I CB -0.272 37.695 38.000 -0.055 0.000 1.064 52 I HN 0.221 8.431 8.210 -0.000 0.000 0.414 53 S N 1.041 116.750 115.700 0.015 0.000 2.395 53 S HA -0.023 4.447 4.470 -0.001 0.000 0.225 53 S C 1.962 176.571 174.600 0.015 0.000 1.027 53 S CA 0.598 58.806 58.200 0.014 0.000 0.965 53 S CB -0.714 62.504 63.200 0.029 0.000 0.812 53 S HN 0.353 8.663 8.310 -0.000 0.000 0.482 54 L N 0.157 121.398 121.223 0.031 0.000 2.044 54 L HA 0.023 4.363 4.340 -0.001 0.000 0.205 54 L C 2.550 179.380 176.870 -0.068 0.000 1.075 54 L CA 0.680 55.534 54.840 0.024 0.000 0.747 54 L CB -0.656 41.464 42.059 0.101 0.000 0.903 54 L HN 0.268 8.498 8.230 -0.000 0.000 0.435 55 L N 0.282 121.427 121.223 -0.129 0.000 2.083 55 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 55 L C 2.466 179.266 176.870 -0.117 0.000 1.083 55 L CA 1.651 56.363 54.840 -0.212 0.000 0.752 55 L CB -0.803 41.163 42.059 -0.156 0.000 0.899 55 L HN 0.155 8.385 8.230 -0.000 0.000 0.433 56 K N -0.721 119.636 120.400 -0.072 0.000 2.281 56 K HA -0.183 4.136 4.320 -0.001 0.000 0.203 56 K C 1.724 178.309 176.600 -0.025 0.000 1.046 56 K CA 1.212 57.469 56.287 -0.051 0.000 0.938 56 K CB 0.097 32.574 32.500 -0.039 0.000 0.737 56 K HN 0.443 8.693 8.250 -0.000 0.000 0.458 57 E N -0.291 119.901 120.200 -0.014 0.000 2.340 57 E HA 0.033 4.383 4.350 -0.001 0.000 0.194 57 E C -0.255 176.367 176.600 0.037 0.000 0.996 57 E CA 0.147 56.562 56.400 0.025 0.000 0.869 57 E CB 0.414 30.140 29.700 0.044 0.000 0.835 57 E HN 0.157 8.517 8.360 -0.000 0.000 0.493 58 L N 2.323 123.540 121.223 -0.010 0.000 2.360 58 L HA 0.270 4.609 4.340 -0.001 0.000 0.265 58 L C -0.160 176.674 176.870 -0.060 0.000 1.066 58 L CA -0.405 54.449 54.840 0.024 0.000 0.929 58 L CB 0.435 42.474 42.059 -0.032 0.000 1.306 58 L HN -0.026 8.204 8.230 -0.000 0.000 0.434 59 N N 2.973 121.641 118.700 -0.054 0.000 2.439 59 N HA 0.238 4.978 4.740 -0.001 0.000 0.249 59 N C -1.293 173.998 175.510 -0.365 0.000 1.003 59 N CA -0.270 52.694 53.050 -0.143 0.000 0.942 59 N CB 0.737 39.185 38.487 -0.065 0.000 1.115 59 N HN 0.605 8.985 8.380 -0.000 0.000 0.505 60 H N 2.683 121.469 119.070 -0.473 0.000 3.094 60 H HA 0.280 4.836 4.556 -0.001 0.000 0.346 60 H C -2.230 172.900 175.328 -0.331 0.000 1.238 60 H CA -0.906 54.776 56.048 -0.610 0.000 1.209 60 H CB 1.842 31.009 29.762 -0.993 0.000 1.911 60 H HN 0.294 8.574 8.280 -0.000 0.000 0.540 61 P HA -0.008 4.412 4.420 -0.000 0.000 0.222 61 P C -0.196 177.052 177.300 -0.087 0.000 1.147 61 P CA 1.202 64.110 63.100 -0.319 0.000 0.790 61 P CB 0.234 31.694 31.700 -0.401 0.000 0.780 62 N N -1.133 117.682 118.700 0.191 0.000 2.273 62 N HA 0.233 4.973 4.740 -0.001 0.000 0.231 62 N C -0.293 175.260 175.510 0.072 0.000 1.134 62 N CA -0.071 53.059 53.050 0.133 0.000 0.856 62 N CB 0.254 38.814 38.487 0.122 0.000 1.068 62 N HN 0.109 8.489 8.380 -0.000 0.000 0.510 63 I N 1.216 121.822 120.570 0.060 0.000 2.466 63 I HA 0.227 4.396 4.170 -0.001 0.000 0.289 63 I C 0.109 176.229 176.117 0.004 0.000 1.026 63 I CA -1.414 59.903 61.300 0.027 0.000 1.078 63 I CB 1.866 39.847 38.000 -0.031 0.000 1.249 63 I HN -0.157 8.053 8.210 -0.000 0.000 0.429 64 V N 3.388 123.323 119.914 0.036 0.000 2.752 64 V HA 0.036 4.155 4.120 -0.001 0.000 0.306 64 V C 0.336 176.476 176.094 0.078 0.000 1.099 64 V CA -0.262 62.073 62.300 0.058 0.000 1.240 64 V CB -0.376 31.493 31.823 0.077 0.000 0.887 64 V HN 0.658 8.848 8.190 -0.000 0.000 0.499 65 K N 3.551 124.010 120.400 0.097 0.000 2.234 65 K HA 0.465 4.785 4.320 -0.001 0.000 0.282 65 K C -0.576 176.079 176.600 0.092 0.000 1.039 65 K CA -0.748 55.573 56.287 0.056 0.000 0.928 65 K CB 1.680 34.195 32.500 0.025 0.000 1.039 65 K HN 0.696 8.946 8.250 -0.000 0.000 0.470 66 L N 5.208 126.404 121.223 -0.046 0.000 2.260 66 L HA 0.134 4.474 4.340 -0.001 0.000 0.289 66 L C 0.495 177.238 176.870 -0.211 0.000 1.057 66 L CA 0.353 55.020 54.840 -0.287 0.000 0.811 66 L CB 0.371 42.239 42.059 -0.318 0.000 1.184 66 L HN 0.709 8.939 8.230 -0.000 0.000 0.429 67 L N 2.806 123.899 121.223 -0.218 0.000 2.202 67 L HA 0.303 4.643 4.340 -0.001 0.000 0.205 67 L C -0.016 176.793 176.870 -0.102 0.000 1.083 67 L CA 0.403 55.183 54.840 -0.100 0.000 0.790 67 L CB 0.060 42.097 42.059 -0.037 0.000 0.942 67 L HN 0.646 8.876 8.230 -0.000 0.000 0.452 68 D N -1.723 118.580 120.400 -0.162 0.000 2.706 68 D HA 0.327 4.967 4.640 -0.001 0.000 0.225 68 D C -1.440 174.758 176.300 -0.170 0.000 1.241 68 D CA -0.167 53.764 54.000 -0.116 0.000 0.784 68 D CB 2.686 43.462 40.800 -0.041 0.000 1.521 68 D HN -0.348 8.022 8.370 -0.000 0.000 0.461 69 V N 3.166 123.003 119.914 -0.128 0.000 2.448 69 V HA 0.558 4.677 4.120 -0.001 0.000 0.295 69 V C 0.088 176.138 176.094 -0.074 0.000 1.025 69 V CA -0.611 61.602 62.300 -0.145 0.000 0.859 69 V CB 1.518 33.228 31.823 -0.188 0.000 0.988 69 V HN 0.435 8.625 8.190 -0.000 0.000 0.431 70 I N 4.517 125.069 120.570 -0.030 0.000 2.382 70 I HA 0.419 4.588 4.170 -0.001 0.000 0.286 70 I C -0.598 175.607 176.117 0.145 0.000 1.002 70 I CA -0.445 60.902 61.300 0.078 0.000 1.135 70 I CB 1.149 39.207 38.000 0.098 0.000 1.288 70 I HN 0.553 8.763 8.210 -0.000 0.000 0.448 71 H N 5.100 124.207 119.070 0.062 0.000 2.581 71 H HA 0.453 5.008 4.556 -0.001 0.000 0.308 71 H C -0.239 175.121 175.328 0.054 0.000 1.040 71 H CA -0.307 55.763 56.048 0.036 0.000 1.231 71 H CB 1.380 31.149 29.762 0.012 0.000 1.396 71 H HN 0.681 8.961 8.280 -0.000 0.000 0.467 72 T N -0.492 114.194 114.554 0.220 0.000 2.905 72 T HA 0.209 4.559 4.350 -0.001 0.000 0.283 72 T C 1.283 176.019 174.700 0.060 0.000 1.031 72 T CA -0.868 61.303 62.100 0.118 0.000 1.002 72 T CB 1.881 70.829 68.868 0.134 0.000 1.200 72 T HN 0.555 8.795 8.240 -0.000 0.000 0.560 73 E N 0.678 120.892 120.200 0.022 0.000 2.058 73 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 73 E C 1.288 177.893 176.600 0.009 0.000 0.997 73 E CA 1.756 58.154 56.400 -0.003 0.000 0.801 73 E CB -0.134 29.564 29.700 -0.003 0.000 0.746 73 E HN 0.754 9.114 8.360 -0.000 0.000 0.450 74 N N -0.467 118.244 118.700 0.018 0.000 2.184 74 N HA 0.105 4.845 4.740 -0.001 0.000 0.206 74 N C -0.234 175.264 175.510 -0.020 0.000 1.151 74 N CA -0.055 52.998 53.050 0.005 0.000 0.878 74 N CB 1.117 39.608 38.487 0.006 0.000 1.014 74 N HN -0.117 8.263 8.380 -0.000 0.000 0.512 75 K N 0.905 121.293 120.400 -0.020 0.000 2.498 75 K HA 0.422 4.742 4.320 -0.001 0.000 0.254 75 K C -1.644 174.877 176.600 -0.131 0.000 0.933 75 K CA -0.544 55.657 56.287 -0.144 0.000 0.806 75 K CB 2.954 35.279 32.500 -0.291 0.000 1.301 75 K HN -0.078 8.172 8.250 -0.000 0.000 0.432 76 L N 4.367 125.442 121.223 -0.248 0.000 2.298 76 L HA 0.444 4.784 4.340 -0.001 0.000 0.284 76 L C -1.436 175.222 176.870 -0.353 0.000 1.013 76 L CA -0.675 54.033 54.840 -0.220 0.000 0.824 76 L CB 0.533 42.464 42.059 -0.214 0.000 1.221 76 L HN 0.666 8.896 8.230 -0.000 0.000 0.418 77 Y N 4.735 124.964 120.300 -0.118 0.000 2.330 77 Y HA 0.466 5.016 4.550 -0.000 0.000 0.336 77 Y C 0.043 175.825 175.900 -0.197 0.000 1.036 77 Y CA -0.619 57.400 58.100 -0.135 0.000 1.125 77 Y CB 1.634 40.019 38.460 -0.125 0.000 1.194 77 Y HN 0.332 8.612 8.280 -0.000 0.000 0.469 78 L N 4.427 125.620 121.223 -0.050 0.000 2.322 78 L HA 0.661 5.001 4.340 -0.001 0.000 0.281 78 L C -1.004 175.751 176.870 -0.192 0.000 1.014 78 L CA -1.146 53.577 54.840 -0.195 0.000 0.815 78 L CB 1.638 43.567 42.059 -0.218 0.000 1.247 78 L HN 0.321 8.551 8.230 -0.000 0.000 0.421 79 V N 3.380 123.081 119.914 -0.355 0.000 2.409 79 V HA 0.483 4.603 4.120 -0.001 0.000 0.291 79 V C -0.541 175.354 176.094 -0.331 0.000 1.020 79 V CA -0.360 61.782 62.300 -0.264 0.000 0.848 79 V CB 1.523 33.190 31.823 -0.261 0.000 0.990 79 V HN 0.421 8.611 8.190 -0.000 0.000 0.430 80 F N 1.926 121.877 119.950 0.002 0.000 2.579 80 F HA 0.483 5.009 4.527 -0.001 0.000 0.324 80 F C 0.758 176.594 175.800 0.059 0.000 1.058 80 F CA -0.974 57.042 58.000 0.027 0.000 0.944 80 F CB 1.459 40.485 39.000 0.042 0.000 1.245 80 F HN 0.629 8.929 8.300 -0.000 0.000 0.477 81 E N 1.258 121.610 120.200 0.253 0.000 2.442 81 E HA -0.013 4.337 4.350 -0.001 0.000 0.262 81 E C -1.108 175.634 176.600 0.237 0.000 1.004 81 E CA -0.209 56.310 56.400 0.198 0.000 0.928 81 E CB 0.646 30.420 29.700 0.123 0.000 0.937 81 E HN 0.531 8.891 8.360 -0.000 0.000 0.446 82 F N 3.753 123.758 119.950 0.092 0.000 2.420 82 F HA 0.371 4.898 4.527 -0.001 0.000 0.352 82 F C -1.111 174.723 175.800 0.056 0.000 1.108 82 F CA -0.626 57.419 58.000 0.076 0.000 1.162 82 F CB 0.492 39.538 39.000 0.077 0.000 1.118 82 F HN 0.375 8.675 8.300 -0.000 0.000 0.510 83 L N 7.079 127.881 121.223 -0.701 0.000 2.409 83 L HA 0.224 4.563 4.340 -0.001 0.000 0.272 83 L C 0.845 177.243 176.870 -0.787 0.000 0.980 83 L CA -0.698 53.775 54.840 -0.612 0.000 0.826 83 L CB 1.832 43.707 42.059 -0.306 0.000 1.268 83 L HN 0.680 8.910 8.230 -0.000 0.000 0.407 84 H N 2.398 121.064 119.070 -0.672 0.000 2.548 84 H HA 0.130 4.686 4.556 -0.001 0.000 0.268 84 H C -0.261 174.906 175.328 -0.269 0.000 0.975 84 H CA 0.339 56.059 56.048 -0.547 0.000 1.195 84 H CB 0.896 30.558 29.762 -0.167 0.000 1.397 84 H HN 0.751 9.031 8.280 -0.000 0.000 0.572 85 Q N 0.688 120.078 119.800 -0.684 0.000 2.756 85 Q HA 0.255 4.594 4.340 -0.001 0.000 0.295 85 Q C -2.031 173.745 176.000 -0.373 0.000 0.903 85 Q CA -0.868 54.634 55.803 -0.503 0.000 0.768 85 Q CB 1.279 29.663 28.738 -0.590 0.000 1.472 85 Q HN 0.239 8.509 8.270 -0.000 0.000 0.416 86 D N 0.033 120.290 120.400 -0.239 0.000 2.385 86 D HA 0.272 4.911 4.640 -0.001 0.000 0.254 86 D C 0.605 176.838 176.300 -0.112 0.000 1.053 86 D CA -0.939 52.949 54.000 -0.186 0.000 0.992 86 D CB 1.064 41.776 40.800 -0.146 0.000 1.145 86 D HN 0.504 8.874 8.370 -0.000 0.000 0.523 87 L N -0.327 120.836 121.223 -0.101 0.000 2.083 87 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 87 L C 2.163 179.078 176.870 0.075 0.000 1.083 87 L CA 1.539 56.387 54.840 0.014 0.000 0.752 87 L CB -0.279 41.753 42.059 -0.046 0.000 0.899 87 L HN 0.560 8.790 8.230 -0.000 0.000 0.433 88 K N 0.615 121.020 120.400 0.009 0.000 1.991 88 K HA -0.259 4.061 4.320 -0.001 0.000 0.212 88 K C 2.066 178.688 176.600 0.035 0.000 1.049 88 K CA 1.799 58.097 56.287 0.019 0.000 0.932 88 K CB -0.089 32.402 32.500 -0.014 0.000 0.717 88 K HN -0.052 8.198 8.250 -0.000 0.000 0.441 89 K N -0.574 119.841 120.400 0.024 0.000 2.057 89 K HA -0.085 4.234 4.320 -0.001 0.000 0.207 89 K C 1.879 178.542 176.600 0.104 0.000 1.049 89 K CA 1.400 57.710 56.287 0.037 0.000 0.931 89 K CB -0.416 32.088 32.500 0.007 0.000 0.714 89 K HN 0.165 8.415 8.250 -0.000 0.000 0.440 90 F N 0.795 120.717 119.950 -0.046 0.000 2.171 90 F HA -0.147 4.379 4.527 -0.001 0.000 0.300 90 F C 1.831 177.644 175.800 0.022 0.000 1.090 90 F CA 1.464 59.456 58.000 -0.012 0.000 1.293 90 F CB -0.147 38.849 39.000 -0.007 0.000 1.013 90 F HN 0.008 8.308 8.300 -0.000 0.000 0.486 91 M N -0.434 119.155 119.600 -0.017 0.000 2.123 91 M HA -0.186 4.294 4.480 -0.001 0.000 0.263 91 M C 1.899 178.148 176.300 -0.085 0.000 1.069 91 M CA 1.671 56.911 55.300 -0.100 0.000 1.133 91 M CB -0.515 32.087 32.600 0.004 0.000 1.356 91 M HN -0.073 8.217 8.290 -0.000 0.000 0.415 92 D N 0.688 121.073 120.400 -0.026 0.000 2.149 92 D HA -0.165 4.474 4.640 -0.001 0.000 0.194 92 D C 1.670 177.951 176.300 -0.031 0.000 1.001 92 D CA 1.789 55.779 54.000 -0.015 0.000 0.849 92 D CB -0.209 40.596 40.800 0.007 0.000 0.939 92 D HN 0.376 8.746 8.370 -0.000 0.000 0.449 93 A N -0.392 122.407 122.820 -0.035 0.000 2.235 93 A HA 0.075 4.395 4.320 -0.001 0.000 0.208 93 A C 1.947 179.477 177.584 -0.090 0.000 1.172 93 A CA 0.598 52.618 52.037 -0.028 0.000 0.786 93 A CB 0.209 19.231 19.000 0.035 0.000 0.804 93 A HN 0.069 8.219 8.150 -0.000 0.000 0.479 94 S N -0.799 114.793 115.700 -0.180 0.000 2.603 94 S HA 0.453 4.923 4.470 -0.001 0.000 0.232 94 S C 0.839 175.361 174.600 -0.130 0.000 1.016 94 S CA 0.140 58.206 58.200 -0.223 0.000 0.976 94 S CB 0.223 63.138 63.200 -0.476 0.000 0.921 94 S HN 0.700 9.010 8.310 -0.000 0.000 0.516 95 A N 1.531 124.297 122.820 -0.090 0.000 2.540 95 A HA 0.501 4.821 4.320 -0.001 0.000 0.239 95 A C 0.895 178.455 177.584 -0.040 0.000 1.061 95 A CA 0.509 52.514 52.037 -0.054 0.000 0.758 95 A CB -0.104 18.876 19.000 -0.033 0.000 0.991 95 A HN 1.004 9.154 8.150 -0.000 0.000 0.502 96 L N 1.017 122.220 121.223 -0.034 0.000 2.001 96 L HA -0.244 4.096 4.340 -0.001 0.000 0.497 96 L C 1.523 178.378 176.870 -0.025 0.000 0.721 96 L CA 3.659 58.485 54.840 -0.024 0.000 3.287 96 L CB -1.563 40.486 42.059 -0.017 0.000 0.626 96 L HN 1.159 9.389 8.230 -0.000 0.000 0.787 97 T N -1.421 113.115 114.554 -0.029 0.000 2.983 97 T HA 0.604 4.954 4.350 -0.001 0.000 0.250 97 T C 1.544 176.225 174.700 -0.032 0.000 1.037 97 T CA 1.270 63.355 62.100 -0.024 0.000 1.142 97 T CB -0.356 68.502 68.868 -0.017 0.000 0.876 97 T HN 2.364 10.604 8.240 -0.000 0.000 0.455 98 G N 1.044 109.813 108.800 -0.052 0.000 2.692 98 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.686 98 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.686 98 G C -0.678 174.180 174.900 -0.071 0.000 1.243 98 G CA -0.652 44.414 45.100 -0.056 0.000 0.782 98 G HN 0.666 8.956 8.290 -0.000 0.000 0.625 99 I N 2.788 123.310 120.570 -0.079 0.000 2.533 99 I HA 0.204 4.373 4.170 -0.001 0.000 0.284 99 I C -1.441 174.685 176.117 0.014 0.000 1.109 99 I CA -1.425 59.847 61.300 -0.046 0.000 1.412 99 I CB 0.940 38.939 38.000 -0.001 0.000 1.396 99 I HN 0.263 8.473 8.210 -0.000 0.000 0.543 100 P HA -0.009 4.411 4.420 -0.000 0.000 0.269 100 P C 0.814 178.133 177.300 0.032 0.000 1.209 100 P CA -0.377 62.736 63.100 0.023 0.000 0.776 100 P CB 0.632 32.345 31.700 0.021 0.000 0.876 101 L N 4.262 125.507 121.223 0.037 0.000 2.043 101 L HA -0.122 4.217 4.340 -0.001 0.000 0.212 101 L C -0.737 176.160 176.870 0.044 0.000 1.075 101 L CA 2.736 57.617 54.840 0.068 0.000 0.752 101 L CB -2.315 39.782 42.059 0.063 0.000 0.891 101 L HN 0.411 8.641 8.230 -0.000 0.000 0.432 102 P HA -0.086 4.334 4.420 -0.000 0.000 0.229 102 P C 1.747 179.005 177.300 -0.071 0.000 1.160 102 P CA 0.623 63.696 63.100 -0.046 0.000 0.777 102 P CB 0.119 31.790 31.700 -0.049 0.000 0.814 103 L N -1.061 120.110 121.223 -0.087 0.000 2.249 103 L HA 0.136 4.475 4.340 -0.001 0.000 0.207 103 L C 2.056 178.780 176.870 -0.243 0.000 1.090 103 L CA 1.126 55.816 54.840 -0.249 0.000 0.802 103 L CB -0.834 41.076 42.059 -0.248 0.000 0.947 103 L HN -0.189 8.041 8.230 -0.000 0.000 0.453 104 I N -0.221 120.345 120.570 -0.007 0.000 2.226 104 I HA -0.327 3.843 4.170 -0.001 0.000 0.245 104 I C 2.449 178.669 176.117 0.173 0.000 1.100 104 I CA 1.575 62.966 61.300 0.151 0.000 1.374 104 I CB -0.321 37.822 38.000 0.239 0.000 1.057 104 I HN 0.292 8.502 8.210 -0.000 0.000 0.413 105 K N 0.512 120.996 120.400 0.141 0.000 2.097 105 K HA -0.184 4.136 4.320 -0.001 0.000 0.205 105 K C 2.317 179.045 176.600 0.214 0.000 1.050 105 K CA 1.693 58.082 56.287 0.170 0.000 0.938 105 K CB -0.062 32.386 32.500 -0.086 0.000 0.718 105 K HN 0.113 8.363 8.250 -0.000 0.000 0.442 106 S N -0.569 115.183 115.700 0.087 0.000 2.338 106 S HA -0.130 4.339 4.470 -0.001 0.000 0.218 106 S C 1.780 176.535 174.600 0.258 0.000 1.032 106 S CA 0.846 59.121 58.200 0.125 0.000 0.999 106 S CB -0.453 62.736 63.200 -0.018 0.000 0.905 106 S HN 0.393 8.703 8.310 -0.000 0.000 0.439 107 Y N 1.621 121.986 120.300 0.108 0.000 2.040 107 Y HA -0.155 4.395 4.550 -0.000 0.000 0.275 107 Y C 2.436 178.363 175.900 0.046 0.000 1.171 107 Y CA 1.082 59.220 58.100 0.065 0.000 1.123 107 Y CB -1.579 36.921 38.460 0.067 0.000 0.963 107 Y HN 0.312 8.592 8.280 -0.000 0.000 0.493 108 L N -0.695 120.668 121.223 0.233 0.000 2.081 108 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 108 L C 2.229 179.154 176.870 0.090 0.000 1.080 108 L CA 1.578 56.480 54.840 0.103 0.000 0.754 108 L CB -1.065 40.965 42.059 -0.048 0.000 0.893 108 L HN 0.170 8.400 8.230 -0.000 0.000 0.433 109 F N -0.046 119.851 119.950 -0.088 0.000 2.146 109 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 109 F C 2.448 178.103 175.800 -0.243 0.000 1.096 109 F CA 1.817 59.543 58.000 -0.457 0.000 1.275 109 F CB -0.397 38.349 39.000 -0.423 0.000 1.008 109 F HN 0.210 8.510 8.300 -0.000 0.000 0.480 110 Q N 0.044 119.784 119.800 -0.099 0.000 2.079 110 Q HA -0.141 4.198 4.340 -0.001 0.000 0.200 110 Q C 2.338 178.239 176.000 -0.164 0.000 0.974 110 Q CA 1.790 57.501 55.803 -0.154 0.000 0.840 110 Q CB -0.272 28.478 28.738 0.019 0.000 0.898 110 Q HN 0.442 8.712 8.270 -0.000 0.000 0.430 111 L N 0.194 121.352 121.223 -0.109 0.000 2.141 111 L HA -0.181 4.158 4.340 -0.001 0.000 0.209 111 L C 2.136 178.908 176.870 -0.164 0.000 1.094 111 L CA 0.676 55.440 54.840 -0.127 0.000 0.763 111 L CB -0.230 41.769 42.059 -0.099 0.000 0.908 111 L HN 0.242 8.472 8.230 -0.000 0.000 0.437 112 L N -1.000 120.111 121.223 -0.185 0.000 2.109 112 L HA -0.184 4.156 4.340 -0.001 0.000 0.207 112 L C 2.696 179.429 176.870 -0.228 0.000 1.086 112 L CA 1.104 55.834 54.840 -0.183 0.000 0.760 112 L CB -0.376 41.586 42.059 -0.162 0.000 0.910 112 L HN 0.279 8.509 8.230 -0.000 0.000 0.437 113 Q N -0.446 119.163 119.800 -0.319 0.000 2.050 113 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 113 Q C 2.279 178.079 176.000 -0.333 0.000 0.980 113 Q CA 1.574 57.213 55.803 -0.275 0.000 0.840 113 Q CB -0.407 28.160 28.738 -0.285 0.000 0.898 113 Q HN 0.627 8.897 8.270 -0.000 0.000 0.424 114 G N 1.018 109.609 108.800 -0.349 0.000 2.433 114 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.216 114 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.216 114 G C 1.420 176.170 174.900 -0.250 0.000 1.186 114 G CA 0.272 45.114 45.100 -0.430 0.000 0.779 114 G HN 0.179 8.469 8.290 -0.000 0.000 0.543 115 L N 0.646 121.730 121.223 -0.232 0.000 1.990 115 L HA -0.202 4.138 4.340 -0.001 0.000 0.213 115 L C 3.415 180.064 176.870 -0.369 0.000 1.072 115 L CA 1.730 56.372 54.840 -0.331 0.000 0.755 115 L CB -0.564 41.294 42.059 -0.336 0.000 0.889 115 L HN 0.359 8.589 8.230 -0.000 0.000 0.432 116 A N -0.558 122.143 122.820 -0.198 0.000 1.883 116 A HA -0.317 4.002 4.320 -0.001 0.000 0.217 116 A C 2.117 179.721 177.584 0.034 0.000 1.186 116 A CA 1.904 53.911 52.037 -0.049 0.000 0.624 116 A CB -0.991 18.000 19.000 -0.015 0.000 0.822 116 A HN 0.447 8.597 8.150 -0.000 0.000 0.444 117 F N 0.296 120.150 119.950 -0.161 0.000 2.126 117 F HA -0.260 4.267 4.527 -0.001 0.000 0.299 117 F C 2.573 178.387 175.800 0.024 0.000 1.096 117 F CA 1.776 59.719 58.000 -0.094 0.000 1.255 117 F CB -0.481 38.298 39.000 -0.368 0.000 0.997 117 F HN 0.327 8.627 8.300 -0.000 0.000 0.479 118 C N -0.368 119.014 119.300 0.137 0.000 2.436 118 C HA -0.213 4.247 4.460 -0.001 0.000 0.277 118 C C 2.656 177.819 174.990 0.289 0.000 1.241 118 C CA 1.559 60.696 59.018 0.200 0.000 1.721 118 C CB -1.692 26.186 27.740 0.231 0.000 2.043 118 C HN 0.531 8.761 8.230 -0.000 0.000 0.472 119 H N 0.722 119.908 119.070 0.194 0.000 2.387 119 H HA -0.123 4.433 4.556 -0.001 0.000 0.299 119 H C 2.339 177.750 175.328 0.139 0.000 1.090 119 H CA 1.478 57.678 56.048 0.255 0.000 1.332 119 H CB -0.065 29.827 29.762 0.217 0.000 1.386 119 H HN 0.592 8.872 8.280 -0.000 0.000 0.516 120 S N 0.158 115.969 115.700 0.186 0.000 2.607 120 S HA -0.076 4.394 4.470 -0.001 0.000 0.224 120 S C 0.558 175.038 174.600 -0.201 0.000 0.969 120 S CA 0.417 58.614 58.200 -0.007 0.000 0.927 120 S CB -0.113 63.054 63.200 -0.054 0.000 0.772 120 S HN 0.460 8.770 8.310 -0.000 0.000 0.533 121 H N 1.681 120.637 119.070 -0.190 0.000 2.467 121 H HA 0.390 4.945 4.556 -0.001 0.000 0.275 121 H C 0.381 175.585 175.328 -0.206 0.000 1.131 121 H CA -0.221 55.704 56.048 -0.205 0.000 0.989 121 H CB 0.033 29.669 29.762 -0.210 0.000 1.696 121 H HN 0.509 8.789 8.280 -0.000 0.000 0.574 122 R N -1.420 118.917 120.500 -0.271 0.000 3.405 122 R HA -0.149 4.191 4.340 -0.001 0.000 0.258 122 R C -1.571 174.459 176.300 -0.451 0.000 1.030 122 R CA 0.576 56.177 56.100 -0.833 0.000 0.691 122 R CB -3.174 26.663 30.300 -0.773 0.000 1.093 122 R HN 0.115 8.385 8.270 -0.000 0.000 0.448 123 V N 1.335 121.304 119.914 0.091 0.000 2.448 123 V HA 0.460 4.579 4.120 -0.001 0.000 0.295 123 V C 0.604 177.051 176.094 0.588 0.000 1.025 123 V CA -0.854 61.651 62.300 0.341 0.000 0.859 123 V CB 1.782 33.792 31.823 0.311 0.000 0.988 123 V HN 0.317 8.507 8.190 -0.000 0.000 0.431 124 L N 3.926 125.446 121.223 0.495 0.000 2.325 124 L HA 0.465 4.805 4.340 -0.001 0.000 0.279 124 L C 1.215 178.169 176.870 0.140 0.000 1.054 124 L CA -0.574 54.436 54.840 0.283 0.000 0.804 124 L CB 1.474 43.564 42.059 0.052 0.000 1.200 124 L HN 0.780 9.010 8.230 -0.000 0.000 0.436 125 H N 3.638 122.687 119.070 -0.035 0.000 2.370 125 H HA 0.084 4.639 4.556 -0.001 0.000 0.304 125 H C 1.112 176.289 175.328 -0.251 0.000 1.055 125 H CA 1.208 57.096 56.048 -0.266 0.000 1.373 125 H CB 0.653 30.180 29.762 -0.393 0.000 1.423 125 H HN 0.640 8.920 8.280 -0.000 0.000 0.533 126 R N -0.597 119.905 120.500 0.003 0.000 3.769 126 R HA -0.186 4.154 4.340 -0.001 0.000 0.443 126 R C -0.448 175.830 176.300 -0.038 0.000 0.647 126 R CA 1.563 57.573 56.100 -0.150 0.000 1.563 126 R CB -1.480 28.587 30.300 -0.388 0.000 2.174 126 R HN 0.397 8.667 8.270 -0.000 0.000 0.403 127 D N 0.747 121.228 120.400 0.134 0.000 2.938 127 D HA 0.274 4.914 4.640 -0.001 0.000 0.369 127 D C -0.526 175.833 176.300 0.099 0.000 1.301 127 D CA -0.144 53.901 54.000 0.075 0.000 0.805 127 D CB 0.238 41.014 40.800 -0.040 0.000 1.161 127 D HN 0.114 8.484 8.370 -0.000 0.000 0.474 128 L N 2.045 123.243 121.223 -0.041 0.000 2.331 128 L HA 0.383 4.723 4.340 -0.001 0.000 0.278 128 L C 0.315 176.999 176.870 -0.311 0.000 1.106 128 L CA 0.171 54.832 54.840 -0.298 0.000 0.824 128 L CB 0.626 42.494 42.059 -0.318 0.000 1.142 128 L HN 0.227 8.457 8.230 -0.000 0.000 0.443 129 K N 2.103 122.270 120.400 -0.387 0.000 2.685 129 K HA 0.338 4.657 4.320 -0.001 0.000 0.290 129 K C -2.822 173.553 176.600 -0.375 0.000 1.018 129 K CA -1.347 54.579 56.287 -0.602 0.000 0.860 129 K CB 0.917 33.099 32.500 -0.530 0.000 1.498 129 K HN -0.076 8.174 8.250 -0.000 0.000 0.390 130 P HA -0.166 4.254 4.420 -0.000 0.000 0.218 130 P C 0.752 177.966 177.300 -0.144 0.000 1.148 130 P CA 1.409 64.406 63.100 -0.171 0.000 0.822 130 P CB 0.156 31.814 31.700 -0.070 0.000 0.784 131 Q N -1.072 118.645 119.800 -0.139 0.000 2.224 131 Q HA -0.083 4.257 4.340 -0.001 0.000 0.203 131 Q C 1.189 177.107 176.000 -0.135 0.000 0.970 131 Q CA 0.938 56.669 55.803 -0.121 0.000 0.865 131 Q CB -0.513 28.161 28.738 -0.107 0.000 0.922 131 Q HN 0.299 8.569 8.270 -0.000 0.000 0.445 132 N N 0.111 118.722 118.700 -0.149 0.000 2.383 132 N HA 0.095 4.835 4.740 -0.001 0.000 0.192 132 N C -0.625 174.794 175.510 -0.153 0.000 1.141 132 N CA 0.412 53.384 53.050 -0.130 0.000 0.851 132 N CB 0.465 38.896 38.487 -0.092 0.000 0.976 132 N HN 0.194 8.574 8.380 -0.000 0.000 0.465 133 L N 1.348 122.464 121.223 -0.179 0.000 2.298 133 L HA 0.457 4.796 4.340 -0.001 0.000 0.284 133 L C -0.313 176.427 176.870 -0.216 0.000 1.013 133 L CA -0.445 54.276 54.840 -0.198 0.000 0.824 133 L CB 1.552 43.479 42.059 -0.220 0.000 1.221 133 L HN -0.249 7.981 8.230 -0.000 0.000 0.418 134 L N 5.242 126.337 121.223 -0.215 0.000 2.309 134 L HA 0.622 4.962 4.340 -0.001 0.000 0.282 134 L C -0.008 176.692 176.870 -0.284 0.000 1.036 134 L CA -0.658 54.035 54.840 -0.246 0.000 0.806 134 L CB 1.688 43.615 42.059 -0.219 0.000 1.220 134 L HN 0.588 8.818 8.230 -0.000 0.000 0.429 135 I N -0.161 120.209 120.570 -0.334 0.000 2.797 135 I HA 0.602 4.771 4.170 -0.001 0.000 0.307 135 I C -0.658 175.317 176.117 -0.237 0.000 1.033 135 I CA -0.784 60.323 61.300 -0.322 0.000 1.071 135 I CB 2.042 39.784 38.000 -0.430 0.000 1.255 135 I HN 0.606 8.816 8.210 -0.000 0.000 0.445 136 N N 0.801 119.432 118.700 -0.114 0.000 2.725 136 N HA 0.317 5.057 4.740 -0.001 0.000 0.312 136 N C 0.500 176.042 175.510 0.054 0.000 1.295 136 N CA -0.137 52.919 53.050 0.011 0.000 0.914 136 N CB 0.421 38.915 38.487 0.011 0.000 1.177 136 N HN 0.724 9.104 8.380 -0.000 0.000 0.601 137 T N -4.177 110.428 114.554 0.086 0.000 3.219 137 T HA 0.222 4.571 4.350 -0.001 0.000 0.249 137 T C -0.077 174.641 174.700 0.029 0.000 1.099 137 T CA 0.297 62.423 62.100 0.043 0.000 0.988 137 T CB -0.580 68.281 68.868 -0.012 0.000 0.999 137 T HN 0.611 8.851 8.240 -0.000 0.000 0.550 138 E N 0.364 120.582 120.200 0.031 0.000 2.603 138 E HA 0.460 4.809 4.350 -0.001 0.000 0.211 138 E C 1.271 177.895 176.600 0.039 0.000 0.995 138 E CA 0.032 56.450 56.400 0.030 0.000 0.990 138 E CB 0.561 30.276 29.700 0.024 0.000 1.036 138 E HN 0.471 8.831 8.360 -0.000 0.000 0.475 139 G N 0.678 109.512 108.800 0.056 0.000 2.141 139 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.231 139 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.231 139 G C 0.344 175.349 174.900 0.176 0.000 0.984 139 G CA -0.080 45.081 45.100 0.101 0.000 0.660 139 G HN 0.467 8.757 8.290 -0.000 0.000 0.525 140 A N -0.387 122.496 122.820 0.105 0.000 2.302 140 A HA 0.862 5.182 4.320 -0.001 0.000 0.285 140 A C 0.037 177.626 177.584 0.008 0.000 1.105 140 A CA -0.010 52.069 52.037 0.070 0.000 0.816 140 A CB 1.048 20.054 19.000 0.009 0.000 1.067 140 A HN 1.340 9.490 8.150 -0.000 0.000 0.489 141 I N 0.328 120.867 120.570 -0.053 0.000 2.730 141 I HA 0.551 4.720 4.170 -0.001 0.000 0.298 141 I C -1.092 174.943 176.117 -0.138 0.000 1.089 141 I CA -0.672 60.492 61.300 -0.226 0.000 1.041 141 I CB 1.939 39.635 38.000 -0.507 0.000 1.235 141 I HN 0.699 8.909 8.210 -0.000 0.000 0.423 142 K N 7.308 127.620 120.400 -0.147 0.000 2.501 142 K HA 0.487 4.807 4.320 -0.001 0.000 0.252 142 K C -1.465 175.091 176.600 -0.072 0.000 0.934 142 K CA -0.808 55.431 56.287 -0.079 0.000 0.797 142 K CB 2.529 34.996 32.500 -0.056 0.000 1.270 142 K HN 0.493 8.743 8.250 -0.000 0.000 0.431 143 L N 2.247 123.460 121.223 -0.015 0.000 2.453 143 L HA 0.335 4.675 4.340 -0.001 0.000 0.272 143 L C 0.314 177.304 176.870 0.200 0.000 1.182 143 L CA 0.108 54.970 54.840 0.036 0.000 0.858 143 L CB 0.472 42.591 42.059 0.100 0.000 1.120 143 L HN 0.774 9.004 8.230 -0.000 0.000 0.474 144 A N 1.839 124.756 122.820 0.162 0.000 2.530 144 A HA 0.610 4.930 4.320 -0.001 0.000 0.288 144 A C -0.571 177.159 177.584 0.244 0.000 1.172 144 A CA -0.408 51.748 52.037 0.197 0.000 0.733 144 A CB 1.313 20.294 19.000 -0.031 0.000 1.320 144 A HN 0.683 8.833 8.150 -0.000 0.000 0.419 145 D N -1.605 118.891 120.400 0.160 0.000 3.026 145 D HA -0.128 4.511 4.640 -0.001 0.000 0.248 145 D C -0.786 175.504 176.300 -0.017 0.000 1.100 145 D CA 0.666 54.685 54.000 0.031 0.000 0.855 145 D CB -1.267 39.492 40.800 -0.069 0.000 1.011 145 D HN 0.407 8.777 8.370 -0.000 0.000 0.423 146 F N -0.394 119.481 119.950 -0.125 0.000 2.713 146 F HA 0.369 4.896 4.527 -0.001 0.000 0.294 146 F C 2.180 177.895 175.800 -0.142 0.000 1.152 146 F CA 0.288 58.160 58.000 -0.214 0.000 1.385 146 F CB 0.443 39.405 39.000 -0.064 0.000 0.981 146 F HN 0.289 8.589 8.300 -0.000 0.000 0.514 147 G N -0.240 108.553 108.800 -0.013 0.000 2.471 147 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.219 147 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.219 147 G C 1.473 176.355 174.900 -0.030 0.000 1.125 147 G CA 0.401 45.497 45.100 -0.006 0.000 0.775 147 G HN 0.394 8.684 8.290 -0.000 0.000 0.548 148 L N 0.546 121.693 121.223 -0.127 0.000 2.592 148 L HA 0.369 4.709 4.340 -0.001 0.000 0.227 148 L C 1.591 178.381 176.870 -0.133 0.000 1.127 148 L CA -0.486 54.285 54.840 -0.115 0.000 0.884 148 L CB 0.011 41.969 42.059 -0.167 0.000 1.065 148 L HN 0.189 8.419 8.230 -0.000 0.000 0.457 149 A N 0.701 123.447 122.820 -0.123 0.000 2.332 149 A HA 0.602 4.921 4.320 -0.001 0.000 0.258 149 A C 0.019 177.637 177.584 0.056 0.000 1.087 149 A CA -0.159 51.833 52.037 -0.076 0.000 0.802 149 A CB 0.456 19.472 19.000 0.026 0.000 1.042 149 A HN 0.157 8.307 8.150 -0.000 0.000 0.489 150 R N -0.015 120.539 120.500 0.091 0.000 2.621 150 R HA 0.548 4.888 4.340 -0.001 0.000 0.284 150 R C -0.585 175.837 176.300 0.203 0.000 0.998 150 R CA -0.402 55.780 56.100 0.137 0.000 0.895 150 R CB 1.853 32.223 30.300 0.116 0.000 1.195 150 R HN 0.897 9.167 8.270 -0.000 0.000 0.450 151 A N 3.045 125.965 122.820 0.166 0.000 2.450 151 A HA 0.314 4.633 4.320 -0.001 0.000 0.255 151 A C 0.328 178.032 177.584 0.200 0.000 1.096 151 A CA -0.161 51.953 52.037 0.130 0.000 0.778 151 A CB -0.374 18.666 19.000 0.067 0.000 1.031 151 A HN 0.718 8.868 8.150 -0.000 0.000 0.494 152 F N 1.431 121.420 119.950 0.064 0.000 2.735 152 F HA 0.448 4.974 4.527 -0.001 0.000 0.304 152 F C 1.249 177.066 175.800 0.028 0.000 1.119 152 F CA -0.238 57.793 58.000 0.052 0.000 1.280 152 F CB -0.303 38.726 39.000 0.049 0.000 0.994 152 F HN 0.536 8.836 8.300 -0.000 0.000 0.520 153 G N 1.143 109.884 108.800 -0.098 0.000 2.596 153 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.223 153 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.223 153 G C 0.527 175.445 174.900 0.031 0.000 1.120 153 G CA 1.388 46.453 45.100 -0.058 0.000 0.752 153 G HN 0.346 8.636 8.290 -0.000 0.000 0.596 154 V N 0.586 120.550 119.914 0.083 0.000 2.864 154 V HA 0.460 4.580 4.120 -0.001 0.000 0.314 154 V C -2.114 174.063 176.094 0.138 0.000 1.073 154 V CA -1.839 60.513 62.300 0.086 0.000 0.956 154 V CB 2.465 34.333 31.823 0.075 0.000 1.023 154 V HN -0.039 8.151 8.190 -0.000 0.000 0.435 155 P HA 0.139 4.559 4.420 -0.000 0.000 0.269 155 P C -1.141 176.302 177.300 0.239 0.000 1.209 155 P CA 0.063 63.178 63.100 0.026 0.000 0.776 155 P CB 0.411 31.830 31.700 -0.468 0.000 0.876 156 V N 4.370 124.491 119.914 0.346 0.000 2.370 156 V HA 0.301 4.421 4.120 -0.001 0.000 0.283 156 V C 0.701 177.106 176.094 0.518 0.000 1.023 156 V CA -0.535 62.009 62.300 0.407 0.000 0.857 156 V CB 0.937 32.973 31.823 0.355 0.000 0.985 156 V HN 0.447 8.637 8.190 -0.000 0.000 0.443 157 R N 2.517 123.255 120.500 0.397 0.000 2.390 157 R HA 0.444 4.783 4.340 -0.001 0.000 0.291 157 R C 0.247 176.688 176.300 0.235 0.000 1.070 157 R CA -0.357 55.857 56.100 0.190 0.000 1.014 157 R CB 0.808 31.171 30.300 0.105 0.000 1.007 157 R HN 0.808 9.078 8.270 -0.000 0.000 0.466 158 T N 0.311 114.867 114.554 0.004 0.000 2.910 158 T HA 0.160 4.510 4.350 -0.001 0.000 0.293 158 T C -0.170 174.659 174.700 0.214 0.000 1.015 158 T CA -0.618 61.459 62.100 -0.039 0.000 1.094 158 T CB 0.454 69.115 68.868 -0.344 0.000 0.968 158 T HN 0.240 8.480 8.240 -0.000 0.000 0.521 159 Y N 3.071 123.372 120.300 0.002 0.000 2.674 159 Y HA 0.141 4.691 4.550 -0.001 0.000 0.354 159 Y C 2.334 178.164 175.900 -0.117 0.000 1.089 159 Y CA -0.952 57.142 58.100 -0.009 0.000 1.444 159 Y CB -1.454 37.052 38.460 0.077 0.000 1.187 159 Y HN 1.009 9.289 8.280 -0.000 0.000 0.523 160 T N 0.095 114.584 114.554 -0.108 0.000 2.374 160 T HA -0.318 4.031 4.350 -0.001 0.000 0.217 160 T C 0.260 174.761 174.700 -0.331 0.000 1.488 160 T CA 2.150 64.049 62.100 -0.335 0.000 1.061 160 T CB -0.965 67.548 68.868 -0.591 0.000 0.819 160 T HN 0.694 8.934 8.240 -0.000 0.000 0.445 161 H N 1.955 121.070 119.070 0.075 0.000 2.860 161 H HA 0.662 5.218 4.556 0.000 0.000 0.312 161 H C -0.376 175.032 175.328 0.133 0.000 0.995 161 H CA -0.874 55.221 56.048 0.078 0.000 1.311 161 H CB 0.964 30.753 29.762 0.045 0.000 1.478 161 H HN 0.751 9.031 8.280 -0.000 0.000 0.508 162 E N 2.898 123.240 120.200 0.238 0.000 2.283 162 E HA 0.194 4.544 4.350 -0.001 0.000 0.278 162 E C -0.657 176.055 176.600 0.188 0.000 1.027 162 E CA -0.799 55.761 56.400 0.267 0.000 0.843 162 E CB 1.836 31.636 29.700 0.166 0.000 1.062 162 E HN 0.336 8.696 8.360 -0.000 0.000 0.401 163 V N 6.319 126.353 119.914 0.200 0.000 2.054 163 V HA 0.172 4.292 4.120 -0.001 0.000 0.243 163 V C -0.824 175.314 176.094 0.072 0.000 1.480 163 V CA 0.181 62.552 62.300 0.119 0.000 1.440 163 V CB -0.363 31.527 31.823 0.113 0.000 1.489 163 V HN 0.547 8.737 8.190 -0.000 0.000 0.502 164 V N 3.727 123.674 119.914 0.055 0.000 3.078 164 V HA 0.420 4.540 4.120 -0.001 0.000 0.311 164 V C 0.403 176.529 176.094 0.054 0.000 1.138 164 V CA -0.482 61.838 62.300 0.032 0.000 1.007 164 V CB 2.601 34.435 31.823 0.018 0.000 1.045 164 V HN 0.613 8.803 8.190 -0.000 0.000 0.432 165 T N 1.425 116.015 114.554 0.060 0.000 2.734 165 T HA 0.123 4.473 4.350 -0.001 0.000 0.314 165 T C 0.609 175.389 174.700 0.134 0.000 1.057 165 T CA 0.538 62.676 62.100 0.063 0.000 1.047 165 T CB 0.418 69.339 68.868 0.088 0.000 0.991 165 T HN 0.524 8.764 8.240 -0.000 0.000 0.540 166 L N 1.784 123.087 121.223 0.133 0.000 2.425 166 L HA 0.370 4.710 4.340 -0.001 0.000 0.215 166 L C 1.610 178.674 176.870 0.323 0.000 1.065 166 L CA 0.880 55.845 54.840 0.208 0.000 0.842 166 L CB -0.509 41.681 42.059 0.218 0.000 1.033 166 L HN 0.726 8.956 8.230 -0.000 0.000 0.474 167 W N -0.716 120.553 121.300 -0.052 0.000 2.465 167 W HA -0.096 4.563 4.660 -0.001 0.000 0.268 167 W C 1.172 177.472 176.519 -0.365 0.000 1.242 167 W CA 0.648 57.814 57.345 -0.299 0.000 1.248 167 W CB -0.698 28.403 29.460 -0.598 0.000 1.118 167 W HN 0.215 8.395 8.180 -0.000 0.000 0.587 168 Y N -1.134 119.414 120.300 0.414 0.000 2.660 168 Y HA 0.313 4.862 4.550 -0.001 0.000 0.254 168 Y C 1.058 177.209 175.900 0.419 0.000 1.176 168 Y CA -0.812 57.523 58.100 0.393 0.000 1.195 168 Y CB -0.313 38.302 38.460 0.258 0.000 1.190 168 Y HN -0.373 7.907 8.280 -0.000 0.000 0.535 169 R N 1.417 122.142 120.500 0.374 0.000 2.410 169 R HA 0.671 5.010 4.340 -0.001 0.000 0.288 169 R C 0.078 176.341 176.300 -0.061 0.000 1.051 169 R CA -0.321 55.897 56.100 0.197 0.000 1.021 169 R CB 0.757 31.130 30.300 0.121 0.000 1.032 169 R HN 0.253 8.523 8.270 -0.000 0.000 0.481 170 A N 4.914 127.589 122.820 -0.241 0.000 2.332 170 A HA 0.295 4.614 4.320 -0.001 0.000 0.258 170 A C -1.716 175.518 177.584 -0.584 0.000 1.087 170 A CA -1.311 50.216 52.037 -0.851 0.000 0.802 170 A CB 0.277 19.027 19.000 -0.417 0.000 1.042 170 A HN 0.674 8.824 8.150 -0.000 0.000 0.489 171 P HA -0.112 4.308 4.420 -0.000 0.000 0.225 171 P C 0.842 178.203 177.300 0.101 0.000 1.156 171 P CA 1.075 64.051 63.100 -0.207 0.000 0.787 171 P CB 0.165 31.830 31.700 -0.057 0.000 0.802 172 E N 0.506 120.753 120.200 0.079 0.000 2.268 172 E HA -0.112 4.238 4.350 -0.001 0.000 0.195 172 E C 1.977 178.626 176.600 0.083 0.000 0.995 172 E CA 0.808 57.360 56.400 0.253 0.000 0.836 172 E CB -1.017 28.814 29.700 0.218 0.000 0.763 172 E HN 0.323 8.683 8.360 -0.000 0.000 0.491 173 I N 0.652 121.212 120.570 -0.016 0.000 2.585 173 I HA -0.124 4.045 4.170 -0.001 0.000 0.254 173 I C 2.446 178.546 176.117 -0.028 0.000 1.129 173 I CA 0.303 61.569 61.300 -0.055 0.000 1.455 173 I CB -0.032 37.936 38.000 -0.054 0.000 1.111 173 I HN -0.013 8.197 8.210 -0.000 0.000 0.433 174 L N 0.224 121.432 121.223 -0.024 0.000 2.127 174 L HA -0.195 4.145 4.340 -0.001 0.000 0.211 174 L C 2.012 178.896 176.870 0.025 0.000 1.089 174 L CA 1.242 56.071 54.840 -0.018 0.000 0.757 174 L CB -0.435 41.583 42.059 -0.067 0.000 0.899 174 L HN 0.266 8.496 8.230 -0.000 0.000 0.434 175 L N -0.263 121.000 121.223 0.067 0.000 2.612 175 L HA 0.164 4.503 4.340 -0.001 0.000 0.230 175 L C 1.345 178.248 176.870 0.055 0.000 1.140 175 L CA 0.421 55.321 54.840 0.101 0.000 0.896 175 L CB -0.400 41.731 42.059 0.120 0.000 1.065 175 L HN 0.436 8.666 8.230 -0.000 0.000 0.447 176 G N -0.420 108.389 108.800 0.017 0.000 2.147 176 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.244 176 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.244 176 G C 0.463 175.338 174.900 -0.042 0.000 1.005 176 G CA 0.065 45.155 45.100 -0.017 0.000 0.713 176 G HN 0.379 8.669 8.290 -0.000 0.000 0.515 177 C N -0.414 118.867 119.300 -0.031 0.000 2.652 177 C HA 0.344 4.803 4.460 -0.001 0.000 0.401 177 C C 2.142 177.042 174.990 -0.151 0.000 1.292 177 C CA 1.494 60.480 59.018 -0.054 0.000 1.785 177 C CB 0.592 28.331 27.740 -0.003 0.000 2.659 177 C HN 0.681 8.911 8.230 -0.000 0.000 0.634 178 K N 1.207 121.493 120.400 -0.191 0.000 2.348 178 K HA 0.198 4.518 4.320 -0.001 0.000 0.194 178 K C -0.556 175.707 176.600 -0.562 0.000 1.052 178 K CA 0.484 56.541 56.287 -0.383 0.000 1.004 178 K CB 0.173 32.404 32.500 -0.449 0.000 0.873 178 K HN 0.763 9.013 8.250 -0.000 0.000 0.523 179 Y N -1.031 119.217 120.300 -0.086 0.000 2.570 179 Y HA 0.329 4.878 4.550 -0.000 0.000 0.345 179 Y C -0.653 175.173 175.900 -0.123 0.000 1.014 179 Y CA -1.212 56.854 58.100 -0.057 0.000 1.063 179 Y CB 1.001 39.468 38.460 0.013 0.000 1.272 179 Y HN -0.172 8.108 8.280 -0.000 0.000 0.477 180 Y N 0.483 120.878 120.300 0.157 0.000 2.335 180 Y HA 0.516 5.065 4.550 -0.001 0.000 0.323 180 Y C 0.593 176.466 175.900 -0.046 0.000 1.224 180 Y CA -0.236 57.882 58.100 0.031 0.000 1.241 180 Y CB 1.596 40.048 38.460 -0.015 0.000 1.235 180 Y HN 0.618 8.898 8.280 -0.000 0.000 0.492 181 S N -1.818 113.926 115.700 0.073 0.000 2.745 181 S HA 0.242 4.712 4.470 -0.001 0.000 0.306 181 S C 0.689 175.151 174.600 -0.229 0.000 1.137 181 S CA -0.217 57.898 58.200 -0.142 0.000 0.900 181 S CB 1.005 64.156 63.200 -0.081 0.000 1.176 181 S HN 0.704 9.014 8.310 -0.000 0.000 0.520 182 T N -1.906 112.399 114.554 -0.415 0.000 3.025 182 T HA 0.045 4.395 4.350 -0.001 0.000 0.270 182 T C 1.791 176.415 174.700 -0.127 0.000 1.126 182 T CA 0.900 62.704 62.100 -0.493 0.000 1.105 182 T CB -0.836 67.508 68.868 -0.872 0.000 0.884 182 T HN 0.899 9.139 8.240 -0.000 0.000 0.522 183 A N 1.941 124.735 122.820 -0.043 0.000 2.015 183 A HA 0.097 4.417 4.320 -0.001 0.000 0.219 183 A C 2.660 180.336 177.584 0.154 0.000 1.163 183 A CA 1.428 53.507 52.037 0.070 0.000 0.646 183 A CB -1.007 18.024 19.000 0.052 0.000 0.806 183 A HN 0.715 8.865 8.150 -0.000 0.000 0.448 184 V N -1.803 118.194 119.914 0.137 0.000 2.407 184 V HA -0.227 3.893 4.120 -0.001 0.000 0.248 184 V C 1.758 177.994 176.094 0.236 0.000 1.055 184 V CA 2.436 64.858 62.300 0.203 0.000 1.049 184 V CB -0.922 31.025 31.823 0.206 0.000 0.662 184 V HN 0.367 8.557 8.190 -0.000 0.000 0.455 185 D N 0.431 120.943 120.400 0.188 0.000 2.144 185 D HA -0.058 4.581 4.640 -0.001 0.000 0.200 185 D C 2.145 178.556 176.300 0.186 0.000 0.978 185 D CA 1.362 55.473 54.000 0.185 0.000 0.833 185 D CB -0.107 40.863 40.800 0.283 0.000 0.961 185 D HN 0.414 8.784 8.370 -0.000 0.000 0.470 186 I N 0.181 120.883 120.570 0.221 0.000 2.233 186 I HA -0.193 3.977 4.170 -0.001 0.000 0.243 186 I C 2.362 178.597 176.117 0.196 0.000 1.093 186 I CA 0.613 62.024 61.300 0.186 0.000 1.380 186 I CB -1.079 37.031 38.000 0.183 0.000 1.067 186 I HN 0.277 8.487 8.210 -0.000 0.000 0.413 187 W N 2.226 123.589 121.300 0.105 0.000 2.318 187 W HA -0.262 4.398 4.660 -0.001 0.000 0.313 187 W C 2.547 179.164 176.519 0.162 0.000 1.221 187 W CA 2.036 59.455 57.345 0.123 0.000 1.266 187 W CB -0.412 29.114 29.460 0.111 0.000 1.150 187 W HN 0.105 8.285 8.180 -0.000 0.000 0.496 188 S N 1.149 117.059 115.700 0.350 0.000 2.359 188 S HA -0.232 4.238 4.470 -0.001 0.000 0.224 188 S C 1.726 176.398 174.600 0.120 0.000 1.035 188 S CA 1.548 59.917 58.200 0.282 0.000 1.018 188 S CB -0.953 62.369 63.200 0.203 0.000 0.876 188 S HN 0.147 8.457 8.310 -0.000 0.000 0.448 189 L N 2.040 123.302 121.223 0.066 0.000 2.042 189 L HA -0.047 4.292 4.340 -0.001 0.000 0.210 189 L C 2.467 179.380 176.870 0.073 0.000 1.076 189 L CA 1.934 56.795 54.840 0.036 0.000 0.749 189 L CB -1.747 40.327 42.059 0.026 0.000 0.893 189 L HN 0.377 8.607 8.230 -0.000 0.000 0.432 190 G N -1.578 107.235 108.800 0.023 0.000 2.469 190 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.219 190 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.219 190 G C 1.697 176.550 174.900 -0.079 0.000 1.150 190 G CA 1.187 46.270 45.100 -0.027 0.000 0.763 190 G HN 0.514 8.804 8.290 -0.000 0.000 0.561 191 C N 0.330 119.570 119.300 -0.101 0.000 2.466 191 C HA 0.135 4.594 4.460 -0.001 0.000 0.278 191 C C 2.846 177.890 174.990 0.090 0.000 1.288 191 C CA 0.272 59.254 59.018 -0.061 0.000 1.722 191 C CB -0.907 26.922 27.740 0.148 0.000 2.017 191 C HN 0.465 8.695 8.230 -0.000 0.000 0.488 192 I N 0.506 121.182 120.570 0.176 0.000 2.208 192 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 192 I C 2.546 178.774 176.117 0.185 0.000 1.097 192 I CA 1.696 63.086 61.300 0.151 0.000 1.363 192 I CB -0.778 37.247 38.000 0.041 0.000 1.051 192 I HN 0.266 8.476 8.210 -0.000 0.000 0.413 193 F N 2.455 122.399 119.950 -0.010 0.000 2.046 193 F HA -0.252 4.275 4.527 -0.001 0.000 0.297 193 F C 2.605 178.376 175.800 -0.048 0.000 1.123 193 F CA 1.403 59.397 58.000 -0.009 0.000 1.199 193 F CB -1.069 37.906 39.000 -0.041 0.000 0.972 193 F HN 0.045 8.345 8.300 -0.000 0.000 0.474 194 A N 0.097 122.811 122.820 -0.175 0.000 1.884 194 A HA -0.326 3.993 4.320 -0.001 0.000 0.219 194 A C 2.305 179.790 177.584 -0.164 0.000 1.197 194 A CA 2.198 54.045 52.037 -0.317 0.000 0.637 194 A CB -1.312 17.447 19.000 -0.400 0.000 0.827 194 A HN 0.603 8.753 8.150 -0.000 0.000 0.450 195 E N -0.898 119.262 120.200 -0.066 0.000 2.077 195 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 195 E C 2.096 178.706 176.600 0.016 0.000 0.989 195 E CA 1.402 57.790 56.400 -0.020 0.000 0.800 195 E CB -0.202 29.553 29.700 0.091 0.000 0.746 195 E HN 0.674 9.034 8.360 -0.000 0.000 0.452 196 M N -0.116 119.531 119.600 0.079 0.000 2.202 196 M HA -0.166 4.313 4.480 -0.001 0.000 0.262 196 M C 2.179 178.516 176.300 0.061 0.000 1.063 196 M CA 0.992 56.356 55.300 0.106 0.000 1.097 196 M CB 0.100 32.825 32.600 0.209 0.000 1.382 196 M HN 0.106 8.396 8.290 -0.000 0.000 0.413 197 V N -0.379 119.547 119.914 0.021 0.000 2.379 197 V HA -0.154 3.966 4.120 -0.001 0.000 0.243 197 V C 2.400 178.458 176.094 -0.061 0.000 1.035 197 V CA 2.150 64.438 62.300 -0.020 0.000 1.035 197 V CB -0.659 31.097 31.823 -0.111 0.000 0.673 197 V HN 0.584 8.774 8.190 -0.000 0.000 0.457 198 T N -2.872 111.622 114.554 -0.100 0.000 3.100 198 T HA 0.065 4.415 4.350 -0.001 0.000 0.253 198 T C 1.125 175.778 174.700 -0.079 0.000 1.118 198 T CA 0.247 62.282 62.100 -0.108 0.000 1.058 198 T CB -0.080 68.690 68.868 -0.163 0.000 0.953 198 T HN 0.493 8.733 8.240 -0.000 0.000 0.515 199 R N 0.175 120.643 120.500 -0.054 0.000 3.994 199 R HA -0.172 4.168 4.340 -0.001 0.000 0.403 199 R C 0.137 176.416 176.300 -0.035 0.000 1.126 199 R CA 1.377 57.455 56.100 -0.038 0.000 1.143 199 R CB -1.964 28.310 30.300 -0.043 0.000 1.695 199 R HN 0.792 9.062 8.270 -0.000 0.000 0.555 200 R N -0.533 119.930 120.500 -0.063 0.000 2.668 200 R HA 0.711 5.050 4.340 -0.001 0.000 0.272 200 R C -0.765 175.463 176.300 -0.120 0.000 1.019 200 R CA -0.224 55.835 56.100 -0.068 0.000 0.894 200 R CB 1.426 31.671 30.300 -0.092 0.000 1.228 200 R HN 0.065 8.335 8.270 -0.000 0.000 0.460 201 A N 3.038 125.791 122.820 -0.112 0.000 2.587 201 A HA 0.016 4.336 4.320 -0.001 0.000 0.235 201 A C 0.954 178.287 177.584 -0.419 0.000 1.044 201 A CA -0.248 51.652 52.037 -0.229 0.000 0.754 201 A CB 0.057 18.805 19.000 -0.421 0.000 0.968 201 A HN 0.873 9.023 8.150 -0.000 0.000 0.509 202 L N 0.893 121.812 121.223 -0.507 0.000 2.072 202 L HA 0.047 4.387 4.340 -0.001 0.000 0.205 202 L C -0.096 176.238 176.870 -0.893 0.000 1.079 202 L CA 1.304 55.648 54.840 -0.826 0.000 0.752 202 L CB -0.075 41.270 42.059 -1.191 0.000 0.906 202 L HN 0.734 8.964 8.230 -0.000 0.000 0.436 203 F N 0.176 119.866 119.950 -0.433 0.000 2.710 203 F HA 0.320 4.846 4.527 -0.001 0.000 0.345 203 F C -2.227 173.119 175.800 -0.757 0.000 1.362 203 F CA -2.917 54.825 58.000 -0.431 0.000 1.175 203 F CB 0.374 39.246 39.000 -0.213 0.000 1.561 203 F HN -0.071 8.229 8.300 -0.000 0.000 0.593 204 P HA 0.227 4.647 4.420 -0.000 0.000 0.232 204 P C 0.447 177.367 177.300 -0.633 0.000 1.814 204 P CA 0.269 62.337 63.100 -1.719 0.000 1.085 204 P CB 0.717 31.486 31.700 -1.552 0.000 1.901 205 G N 1.295 109.918 108.800 -0.296 0.000 2.425 205 G HA2 0.222 4.181 3.960 -0.001 0.000 0.302 205 G HA3 0.222 4.181 3.960 -0.001 0.000 0.302 205 G C 0.247 175.245 174.900 0.163 0.000 1.159 205 G CA -0.478 44.610 45.100 -0.019 0.000 0.865 205 G HN 0.210 8.500 8.290 -0.000 0.000 0.515 206 D N -0.677 119.772 120.400 0.081 0.000 2.363 206 D HA 0.125 4.764 4.640 -0.001 0.000 0.214 206 D C 0.866 177.190 176.300 0.041 0.000 1.093 206 D CA 0.591 54.646 54.000 0.091 0.000 0.837 206 D CB 0.569 41.408 40.800 0.064 0.000 0.948 206 D HN 0.451 8.821 8.370 -0.000 0.000 0.507 207 S N -1.135 114.570 115.700 0.008 0.000 2.595 207 S HA 0.112 4.582 4.470 -0.001 0.000 0.270 207 S C 0.717 175.286 174.600 -0.050 0.000 1.145 207 S CA -0.779 57.413 58.200 -0.014 0.000 0.825 207 S CB 2.092 65.271 63.200 -0.035 0.000 1.107 207 S HN -0.151 8.159 8.310 -0.000 0.000 0.461 208 E N 0.178 120.350 120.200 -0.046 0.000 2.119 208 E HA -0.270 4.079 4.350 -0.001 0.000 0.221 208 E C 1.629 178.125 176.600 -0.174 0.000 1.062 208 E CA 2.211 58.566 56.400 -0.075 0.000 0.894 208 E CB -0.392 29.279 29.700 -0.047 0.000 0.785 208 E HN 0.588 8.948 8.360 -0.000 0.000 0.472 209 I N 1.486 121.920 120.570 -0.227 0.000 2.315 209 I HA -0.227 3.943 4.170 -0.001 0.000 0.248 209 I C 2.001 177.770 176.117 -0.579 0.000 1.117 209 I CA 1.652 62.685 61.300 -0.445 0.000 1.404 209 I CB -0.208 37.525 38.000 -0.445 0.000 1.071 209 I HN 0.054 8.264 8.210 -0.000 0.000 0.419 210 D N -0.827 119.368 120.400 -0.341 0.000 2.263 210 D HA -0.252 4.387 4.640 -0.001 0.000 0.208 210 D C 2.055 178.234 176.300 -0.201 0.000 0.971 210 D CA 0.887 54.741 54.000 -0.244 0.000 0.867 210 D CB 0.037 40.769 40.800 -0.114 0.000 0.929 210 D HN 0.327 8.697 8.370 -0.000 0.000 0.492 211 Q N -0.040 119.636 119.800 -0.206 0.000 2.033 211 Q HA 0.039 4.379 4.340 -0.001 0.000 0.196 211 Q C 2.166 177.999 176.000 -0.279 0.000 0.970 211 Q CA 1.052 56.750 55.803 -0.174 0.000 0.828 211 Q CB -0.535 28.145 28.738 -0.097 0.000 0.895 211 Q HN 0.390 8.660 8.270 -0.000 0.000 0.440 212 L N -0.353 120.648 121.223 -0.369 0.000 1.990 212 L HA -0.218 4.122 4.340 -0.001 0.000 0.213 212 L C 2.151 178.665 176.870 -0.595 0.000 1.072 212 L CA 1.380 55.863 54.840 -0.595 0.000 0.755 212 L CB -0.478 41.133 42.059 -0.747 0.000 0.889 212 L HN 0.273 8.503 8.230 -0.000 0.000 0.432 213 F N 0.058 119.664 119.950 -0.574 0.000 2.186 213 F HA -0.152 4.375 4.527 0.000 0.000 0.299 213 F C 2.679 178.244 175.800 -0.393 0.000 1.090 213 F CA 1.049 58.819 58.000 -0.384 0.000 1.307 213 F CB -0.932 38.013 39.000 -0.090 0.000 1.019 213 F HN 0.011 8.311 8.300 -0.000 0.000 0.489 214 R N 0.114 120.528 120.500 -0.144 0.000 2.091 214 R HA -0.155 4.185 4.340 -0.001 0.000 0.238 214 R C 2.268 178.430 176.300 -0.230 0.000 1.136 214 R CA 1.511 57.509 56.100 -0.171 0.000 0.959 214 R CB -0.546 29.689 30.300 -0.107 0.000 0.856 214 R HN 0.253 8.523 8.270 -0.000 0.000 0.437 215 I N -0.071 120.219 120.570 -0.467 0.000 2.142 215 I HA -0.290 3.879 4.170 -0.001 0.000 0.240 215 I C 1.809 177.955 176.117 0.047 0.000 1.078 215 I CA 1.199 62.131 61.300 -0.614 0.000 1.343 215 I CB -0.308 37.404 38.000 -0.480 0.000 1.046 215 I HN 0.048 8.258 8.210 -0.000 0.000 0.405 216 F N 1.344 121.291 119.950 -0.005 0.000 2.126 216 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 216 F C 2.678 178.448 175.800 -0.049 0.000 1.096 216 F CA 1.227 59.303 58.000 0.127 0.000 1.255 216 F CB -1.281 37.859 39.000 0.234 0.000 0.997 216 F HN 0.050 8.350 8.300 -0.000 0.000 0.479 217 R N -0.603 119.763 120.500 -0.222 0.000 2.139 217 R HA -0.145 4.195 4.340 -0.001 0.000 0.243 217 R C 1.947 178.140 176.300 -0.179 0.000 1.145 217 R CA 1.916 57.685 56.100 -0.553 0.000 0.976 217 R CB -0.862 29.037 30.300 -0.667 0.000 0.866 217 R HN 0.294 8.564 8.270 -0.000 0.000 0.449 218 T N 0.689 115.234 114.554 -0.014 0.000 2.925 218 T HA 0.121 4.470 4.350 -0.001 0.000 0.245 218 T C 1.743 176.496 174.700 0.088 0.000 1.025 218 T CA 0.514 62.636 62.100 0.038 0.000 1.149 218 T CB 0.124 69.091 68.868 0.165 0.000 0.866 218 T HN 0.092 8.332 8.240 -0.000 0.000 0.437 219 L N 0.722 122.049 121.223 0.173 0.000 2.567 219 L HA 0.365 4.705 4.340 -0.001 0.000 0.225 219 L C 1.246 178.296 176.870 0.300 0.000 1.119 219 L CA -0.180 54.785 54.840 0.208 0.000 0.871 219 L CB -0.737 41.368 42.059 0.077 0.000 1.036 219 L HN 0.462 8.692 8.230 -0.000 0.000 0.459 220 G N 0.246 109.224 108.800 0.296 0.000 2.712 220 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.686 220 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.686 220 G C -0.282 174.708 174.900 0.150 0.000 1.321 220 G CA -0.798 44.456 45.100 0.255 0.000 0.813 220 G HN -0.038 8.252 8.290 -0.000 0.000 0.599 221 T N 4.392 118.925 114.554 -0.034 0.000 2.779 221 T HA 0.504 4.854 4.350 -0.001 0.000 0.296 221 T C -1.394 173.046 174.700 -0.433 0.000 0.938 221 T CA -0.032 61.789 62.100 -0.465 0.000 1.119 221 T CB 1.106 69.801 68.868 -0.289 0.000 0.891 221 T HN 0.635 8.875 8.240 -0.000 0.000 0.526 222 P HA 0.250 4.670 4.420 -0.000 0.000 0.269 222 P C -0.757 176.377 177.300 -0.277 0.000 1.209 222 P CA -0.252 62.553 63.100 -0.492 0.000 0.776 222 P CB 0.723 32.066 31.700 -0.594 0.000 0.876 223 D N -0.548 119.753 120.400 -0.164 0.000 2.781 223 D HA 0.153 4.793 4.640 -0.001 0.000 0.295 223 D C 0.644 176.874 176.300 -0.116 0.000 1.143 223 D CA -0.560 53.349 54.000 -0.152 0.000 1.076 223 D CB 0.129 40.877 40.800 -0.088 0.000 1.444 223 D HN 0.117 8.487 8.370 -0.000 0.000 0.567 224 E N -0.659 119.471 120.200 -0.116 0.000 2.472 224 E HA -0.005 4.345 4.350 -0.001 0.000 0.200 224 E C 1.643 178.239 176.600 -0.006 0.000 1.046 224 E CA 0.360 56.709 56.400 -0.086 0.000 0.871 224 E CB 0.148 29.792 29.700 -0.092 0.000 0.806 224 E HN 0.310 8.670 8.360 -0.000 0.000 0.533 225 V N 0.280 120.199 119.914 0.007 0.000 2.374 225 V HA -0.148 3.972 4.120 -0.001 0.000 0.241 225 V C 2.400 178.542 176.094 0.080 0.000 1.034 225 V CA 0.850 63.173 62.300 0.038 0.000 1.037 225 V CB -0.176 31.662 31.823 0.026 0.000 0.682 225 V HN 0.048 8.238 8.190 -0.000 0.000 0.463 226 V N -1.673 118.290 119.914 0.083 0.000 2.469 226 V HA -0.174 3.946 4.120 -0.001 0.000 0.251 226 V C 0.943 177.181 176.094 0.241 0.000 1.064 226 V CA 1.379 63.755 62.300 0.127 0.000 1.066 226 V CB -0.382 31.502 31.823 0.102 0.000 0.667 226 V HN 0.713 8.902 8.190 -0.000 0.000 0.461 227 W N 1.557 122.840 121.300 -0.028 0.000 1.982 227 W HA 0.449 5.109 4.660 -0.001 0.000 0.299 227 W C -3.227 173.262 176.519 -0.050 0.000 1.011 227 W CA -3.417 53.916 57.345 -0.020 0.000 1.324 227 W CB 0.499 29.918 29.460 -0.069 0.000 1.372 227 W HN 0.078 8.258 8.180 -0.000 0.000 0.323 228 P HA 0.202 4.622 4.420 -0.000 0.000 0.253 228 P C 0.931 178.229 177.300 -0.004 0.000 1.170 228 P CA 2.468 65.617 63.100 0.082 0.000 0.806 228 P CB 0.324 32.092 31.700 0.113 0.000 0.775 229 G N 1.561 110.256 108.800 -0.176 0.000 2.380 229 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.197 229 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.197 229 G C 0.937 175.553 174.900 -0.473 0.000 1.001 229 G CA 0.068 45.022 45.100 -0.242 0.000 0.668 229 G HN 0.313 8.603 8.290 -0.000 0.000 0.483 230 V N 2.006 121.440 119.914 -0.800 0.000 2.278 230 V HA -0.216 3.904 4.120 -0.001 0.000 0.251 230 V C 3.212 178.765 176.094 -0.901 0.000 1.062 230 V CA 3.474 65.124 62.300 -1.083 0.000 1.038 230 V CB -1.928 29.176 31.823 -1.199 0.000 0.646 230 V HN 0.933 9.123 8.190 -0.000 0.000 0.447 231 T N -1.104 112.908 114.554 -0.903 0.000 2.849 231 T HA -0.155 4.194 4.350 -0.001 0.000 0.270 231 T C 1.564 176.107 174.700 -0.261 0.000 1.066 231 T CA 1.618 63.229 62.100 -0.815 0.000 1.130 231 T CB -0.596 68.007 68.868 -0.442 0.000 0.864 231 T HN 0.537 8.777 8.240 -0.000 0.000 0.481 232 S N 1.070 116.623 115.700 -0.245 0.000 2.631 232 S HA 0.353 4.822 4.470 -0.001 0.000 0.217 232 S C 0.570 175.112 174.600 -0.098 0.000 0.958 232 S CA -0.165 57.961 58.200 -0.123 0.000 0.920 232 S CB -0.465 62.670 63.200 -0.109 0.000 0.776 232 S HN 0.512 8.822 8.310 -0.000 0.000 0.517 233 M N 2.085 121.611 119.600 -0.124 0.000 2.180 233 M HA 0.216 4.696 4.480 -0.001 0.000 0.358 233 M C -1.688 174.626 176.300 0.023 0.000 1.233 233 M CA -2.236 53.024 55.300 -0.066 0.000 1.114 233 M CB 0.655 33.179 32.600 -0.126 0.000 1.594 233 M HN -0.136 8.154 8.290 -0.000 0.000 0.467 234 P HA -0.249 4.171 4.420 -0.000 0.000 0.222 234 P C 0.375 177.698 177.300 0.039 0.000 1.155 234 P CA 1.680 64.787 63.100 0.012 0.000 0.890 234 P CB 0.126 31.823 31.700 -0.006 0.000 0.790 235 D N -3.987 116.461 120.400 0.080 0.000 2.369 235 D HA 0.027 4.667 4.640 -0.001 0.000 0.211 235 D C 0.408 176.826 176.300 0.196 0.000 1.077 235 D CA -0.152 53.913 54.000 0.109 0.000 0.842 235 D CB -0.096 40.766 40.800 0.104 0.000 0.947 235 D HN 0.226 8.596 8.370 -0.000 0.000 0.509 236 Y N 1.903 122.254 120.300 0.085 0.000 2.304 236 Y HA 0.259 4.809 4.550 -0.000 0.000 0.327 236 Y C -0.197 175.549 175.900 -0.257 0.000 1.209 236 Y CA -0.006 58.166 58.100 0.121 0.000 1.299 236 Y CB 0.664 39.181 38.460 0.096 0.000 1.249 236 Y HN -0.409 7.871 8.280 -0.000 0.000 0.519 237 K N 6.599 125.874 120.400 -1.876 0.000 2.513 237 K HA 0.235 4.555 4.320 -0.001 0.000 0.251 237 K C -2.414 173.316 176.600 -1.450 0.000 0.939 237 K CA -1.833 53.596 56.287 -1.431 0.000 0.793 237 K CB 2.285 33.983 32.500 -1.338 0.000 1.241 237 K HN 0.338 8.588 8.250 -0.000 0.000 0.431 238 P HA -0.179 4.241 4.420 -0.000 0.000 0.219 238 P C 0.695 177.802 177.300 -0.322 0.000 1.146 238 P CA 1.210 64.103 63.100 -0.345 0.000 0.808 238 P CB 0.237 31.832 31.700 -0.174 0.000 0.779 239 S N -2.582 112.884 115.700 -0.390 0.000 2.603 239 S HA 0.046 4.516 4.470 -0.001 0.000 0.220 239 S C 0.461 174.978 174.600 -0.138 0.000 0.967 239 S CA -0.233 57.830 58.200 -0.229 0.000 0.920 239 S CB -0.996 62.095 63.200 -0.182 0.000 0.773 239 S HN -0.110 8.200 8.310 -0.000 0.000 0.529 240 F N 3.851 123.688 119.950 -0.188 0.000 2.571 240 F HA 0.327 4.853 4.527 -0.001 0.000 0.384 240 F C -2.070 173.533 175.800 -0.328 0.000 1.058 240 F CA -2.759 55.151 58.000 -0.151 0.000 1.200 240 F CB -0.672 38.328 39.000 0.001 0.000 1.077 240 F HN 0.026 8.326 8.300 -0.000 0.000 0.558 241 P HA -0.031 4.389 4.420 -0.000 0.000 0.266 241 P C -0.622 176.227 177.300 -0.752 0.000 1.193 241 P CA -0.006 62.626 63.100 -0.781 0.000 0.770 241 P CB 0.507 31.321 31.700 -1.477 0.000 0.836 242 K N 2.881 122.908 120.400 -0.622 0.000 2.347 242 K HA 0.283 4.603 4.320 -0.001 0.000 0.262 242 K C -0.885 175.529 176.600 -0.310 0.000 1.052 242 K CA -0.162 55.922 56.287 -0.339 0.000 0.946 242 K CB 0.097 32.481 32.500 -0.192 0.000 1.220 242 K HN 0.412 8.662 8.250 -0.000 0.000 0.450 243 W N 1.454 122.723 121.300 -0.052 0.000 2.485 243 W HA 0.676 5.335 4.660 -0.001 0.000 0.364 243 W C 0.196 176.709 176.519 -0.009 0.000 1.171 243 W CA -1.181 56.153 57.345 -0.019 0.000 1.304 243 W CB 1.389 30.854 29.460 0.009 0.000 1.335 243 W HN 0.432 8.612 8.180 -0.000 0.000 0.643 244 A N 1.348 124.325 122.820 0.263 0.000 2.330 244 A HA 0.595 4.915 4.320 -0.001 0.000 0.329 244 A C -0.274 177.399 177.584 0.147 0.000 1.135 244 A CA -0.971 51.158 52.037 0.153 0.000 0.817 244 A CB 1.102 20.167 19.000 0.109 0.000 1.269 244 A HN 0.623 8.773 8.150 -0.000 0.000 0.469 245 R N 1.461 122.037 120.500 0.127 0.000 2.351 245 R HA 0.110 4.450 4.340 -0.001 0.000 0.321 245 R C 0.387 176.754 176.300 0.112 0.000 1.182 245 R CA -0.053 56.129 56.100 0.137 0.000 1.011 245 R CB -0.131 30.254 30.300 0.141 0.000 1.048 245 R HN 0.851 9.121 8.270 -0.000 0.000 0.490 246 Q N 2.420 122.273 119.800 0.088 0.000 2.421 246 Q HA 0.014 4.354 4.340 -0.001 0.000 0.255 246 Q C -0.900 175.142 176.000 0.070 0.000 1.013 246 Q CA -0.261 55.573 55.803 0.053 0.000 0.895 246 Q CB 0.971 29.712 28.738 0.006 0.000 1.271 246 Q HN 0.422 8.692 8.270 -0.000 0.000 0.460 247 D N 0.902 121.338 120.400 0.060 0.000 2.264 247 D HA 0.124 4.763 4.640 -0.001 0.000 0.249 247 D C -0.255 176.107 176.300 0.104 0.000 1.070 247 D CA -0.477 53.591 54.000 0.113 0.000 0.912 247 D CB 0.558 41.402 40.800 0.073 0.000 1.193 247 D HN 0.574 8.944 8.370 -0.000 0.000 0.427 248 F N 0.817 120.733 119.950 -0.057 0.000 2.365 248 F HA -0.112 4.414 4.527 -0.000 0.000 0.300 248 F C 2.521 178.263 175.800 -0.098 0.000 1.090 248 F CA 0.773 58.718 58.000 -0.091 0.000 1.408 248 F CB -0.347 38.589 39.000 -0.106 0.000 1.060 248 F HN 0.351 8.651 8.300 -0.000 0.000 0.534 249 S N -0.489 115.260 115.700 0.081 0.000 2.419 249 S HA -0.167 4.303 4.470 -0.001 0.000 0.233 249 S C 1.734 176.311 174.600 -0.038 0.000 1.016 249 S CA 0.970 59.179 58.200 0.015 0.000 0.974 249 S CB -0.314 62.898 63.200 0.020 0.000 0.786 249 S HN 0.365 8.675 8.310 -0.000 0.000 0.492 250 K N 0.624 120.989 120.400 -0.057 0.000 2.352 250 K HA 0.286 4.606 4.320 -0.001 0.000 0.194 250 K C 1.855 178.366 176.600 -0.149 0.000 1.038 250 K CA 0.347 56.583 56.287 -0.086 0.000 1.023 250 K CB -0.083 32.377 32.500 -0.065 0.000 0.840 250 K HN 0.313 8.563 8.250 -0.000 0.000 0.519 251 V N 1.732 121.512 119.914 -0.223 0.000 2.302 251 V HA -0.098 4.021 4.120 -0.001 0.000 0.243 251 V C 1.334 177.233 176.094 -0.325 0.000 1.036 251 V CA 1.144 63.235 62.300 -0.349 0.000 1.020 251 V CB -0.025 31.421 31.823 -0.630 0.000 0.657 251 V HN 0.089 8.279 8.190 -0.000 0.000 0.453 252 V N -2.089 117.654 119.914 -0.285 0.000 2.260 252 V HA 0.398 4.517 4.120 -0.001 0.000 0.263 252 V C -1.924 174.089 176.094 -0.135 0.000 1.036 252 V CA -1.554 60.611 62.300 -0.226 0.000 0.874 252 V CB 0.372 32.028 31.823 -0.279 0.000 1.116 252 V HN 0.238 8.428 8.190 -0.000 0.000 0.454 253 P HA 0.015 4.435 4.420 -0.000 0.000 0.215 253 P C -1.221 176.049 177.300 -0.049 0.000 1.157 253 P CA 1.629 64.688 63.100 -0.068 0.000 0.863 253 P CB -1.026 30.635 31.700 -0.065 0.000 0.787 254 P HA -0.007 4.413 4.420 -0.000 0.000 0.239 254 P C 0.205 177.502 177.300 -0.004 0.000 1.184 254 P CA 0.491 63.577 63.100 -0.023 0.000 0.760 254 P CB -0.180 31.506 31.700 -0.022 0.000 0.884 255 L N 1.141 122.350 121.223 -0.024 0.000 2.375 255 L HA 0.228 4.567 4.340 -0.001 0.000 0.271 255 L C 0.588 177.473 176.870 0.026 0.000 1.107 255 L CA -0.728 54.113 54.840 0.001 0.000 0.806 255 L CB 0.478 42.481 42.059 -0.093 0.000 1.146 255 L HN -0.102 8.128 8.230 -0.000 0.000 0.447 256 D N 1.166 121.615 120.400 0.081 0.000 2.398 256 D HA 0.054 4.694 4.640 -0.001 0.000 0.264 256 D C 0.457 176.791 176.300 0.058 0.000 1.263 256 D CA -0.071 53.974 54.000 0.074 0.000 1.037 256 D CB 0.394 41.255 40.800 0.102 0.000 1.101 256 D HN 0.544 8.914 8.370 -0.000 0.000 0.551 257 E N -1.460 118.773 120.200 0.056 0.000 2.371 257 E HA -0.054 4.295 4.350 -0.001 0.000 0.194 257 E C 0.809 177.440 176.600 0.051 0.000 1.012 257 E CA 0.435 56.855 56.400 0.034 0.000 0.860 257 E CB 0.143 29.859 29.700 0.028 0.000 0.811 257 E HN 0.344 8.704 8.360 -0.000 0.000 0.502 258 D N -0.680 119.794 120.400 0.122 0.000 2.183 258 D HA -0.025 4.615 4.640 -0.001 0.000 0.205 258 D C 1.911 178.234 176.300 0.039 0.000 0.962 258 D CA 0.998 55.132 54.000 0.223 0.000 0.849 258 D CB -0.287 40.714 40.800 0.335 0.000 0.978 258 D HN 0.249 8.619 8.370 -0.000 0.000 0.488 259 G N 1.017 109.748 108.800 -0.114 0.000 2.480 259 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.216 259 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.216 259 G C 1.700 176.371 174.900 -0.382 0.000 1.200 259 G CA 0.434 45.160 45.100 -0.623 0.000 0.782 259 G HN 0.214 8.504 8.290 -0.000 0.000 0.554 260 R N 0.116 120.498 120.500 -0.197 0.000 2.120 260 R HA -0.041 4.299 4.340 -0.001 0.000 0.234 260 R C 2.887 179.039 176.300 -0.247 0.000 1.123 260 R CA 1.245 57.252 56.100 -0.154 0.000 0.975 260 R CB -0.471 29.795 30.300 -0.057 0.000 0.866 260 R HN 0.402 8.672 8.270 -0.000 0.000 0.446 261 S N 0.957 116.563 115.700 -0.156 0.000 2.356 261 S HA -0.118 4.352 4.470 -0.001 0.000 0.223 261 S C 1.842 176.346 174.600 -0.161 0.000 1.032 261 S CA 1.012 59.155 58.200 -0.094 0.000 1.005 261 S CB -0.103 63.168 63.200 0.118 0.000 0.867 261 S HN 0.202 8.512 8.310 -0.000 0.000 0.449 262 L N 1.412 122.423 121.223 -0.354 0.000 2.072 262 L HA 0.141 4.481 4.340 -0.001 0.000 0.205 262 L C 2.099 178.859 176.870 -0.185 0.000 1.079 262 L CA 1.525 56.084 54.840 -0.468 0.000 0.752 262 L CB -0.955 40.641 42.059 -0.772 0.000 0.906 262 L HN 0.404 8.634 8.230 -0.000 0.000 0.436 263 L N -0.397 120.729 121.223 -0.161 0.000 2.081 263 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 263 L C 2.660 179.483 176.870 -0.079 0.000 1.080 263 L CA 2.287 57.075 54.840 -0.086 0.000 0.754 263 L CB -0.975 40.977 42.059 -0.178 0.000 0.893 263 L HN 0.625 8.855 8.230 -0.000 0.000 0.433 264 S N -2.287 113.263 115.700 -0.250 0.000 2.470 264 S HA -0.098 4.371 4.470 -0.001 0.000 0.225 264 S C 1.785 176.312 174.600 -0.123 0.000 1.006 264 S CA 0.540 58.503 58.200 -0.396 0.000 0.934 264 S CB -0.309 62.358 63.200 -0.888 0.000 0.778 264 S HN 0.673 8.983 8.310 -0.000 0.000 0.517 265 Q N 0.183 119.947 119.800 -0.059 0.000 2.212 265 Q HA 0.221 4.561 4.340 -0.001 0.000 0.199 265 Q C 2.080 178.121 176.000 0.068 0.000 0.950 265 Q CA 0.995 56.824 55.803 0.042 0.000 0.863 265 Q CB -0.226 28.534 28.738 0.037 0.000 0.944 265 Q HN 0.608 8.878 8.270 -0.000 0.000 0.465 266 M N 0.156 119.776 119.600 0.033 0.000 2.296 266 M HA -0.094 4.385 4.480 -0.001 0.000 0.265 266 M C 1.271 177.592 176.300 0.036 0.000 1.064 266 M CA 1.171 56.501 55.300 0.050 0.000 1.109 266 M CB 0.144 32.768 32.600 0.041 0.000 1.396 266 M HN 0.130 8.420 8.290 -0.000 0.000 0.430 267 L N -1.097 120.116 121.223 -0.017 0.000 2.685 267 L HA 0.127 4.467 4.340 -0.001 0.000 0.233 267 L C 0.684 177.635 176.870 0.135 0.000 1.173 267 L CA -0.394 54.392 54.840 -0.090 0.000 0.961 267 L CB -0.673 41.264 42.059 -0.205 0.000 1.217 267 L HN 0.231 8.461 8.230 -0.000 0.000 0.478 268 H N -0.339 118.772 119.070 0.070 0.000 2.964 268 H HA -0.085 4.471 4.556 -0.001 0.000 0.328 268 H C 0.559 175.913 175.328 0.042 0.000 1.030 268 H CA 0.733 56.804 56.048 0.039 0.000 1.445 268 H CB 0.920 30.693 29.762 0.019 0.000 1.449 268 H HN 0.083 8.363 8.280 -0.000 0.000 0.581 269 Y N 1.628 121.843 120.300 -0.141 0.000 2.181 269 Y HA -0.205 4.344 4.550 -0.001 0.000 0.288 269 Y C 1.363 176.673 175.900 -0.983 0.000 1.146 269 Y CA 1.531 59.370 58.100 -0.435 0.000 1.164 269 Y CB -0.048 38.231 38.460 -0.302 0.000 0.982 269 Y HN 0.594 8.874 8.280 -0.000 0.000 0.515 270 D N 0.356 120.488 120.400 -0.447 0.000 2.339 270 D HA 0.087 4.726 4.640 -0.001 0.000 0.241 270 D C -2.034 174.146 176.300 -0.200 0.000 1.183 270 D CA -2.472 51.169 54.000 -0.599 0.000 0.859 270 D CB 1.312 42.042 40.800 -0.117 0.000 1.067 270 D HN -0.026 8.344 8.370 -0.000 0.000 0.484 271 P HA -0.146 4.274 4.420 -0.000 0.000 0.216 271 P C 0.915 178.208 177.300 -0.011 0.000 1.150 271 P CA 0.924 63.992 63.100 -0.054 0.000 0.843 271 P CB 0.261 31.963 31.700 0.003 0.000 0.787 272 N N -0.707 117.995 118.700 0.004 0.000 2.381 272 N HA -0.094 4.645 4.740 -0.001 0.000 0.182 272 N C 1.234 176.726 175.510 -0.031 0.000 1.025 272 N CA 0.954 54.008 53.050 0.007 0.000 0.888 272 N CB -0.123 38.386 38.487 0.037 0.000 0.965 272 N HN 0.241 8.621 8.380 -0.000 0.000 0.438 273 K N 0.628 120.982 120.400 -0.076 0.000 2.361 273 K HA 0.096 4.415 4.320 -0.001 0.000 0.194 273 K C 0.743 177.181 176.600 -0.269 0.000 1.032 273 K CA -0.193 55.954 56.287 -0.233 0.000 1.048 273 K CB 0.638 32.843 32.500 -0.492 0.000 0.842 273 K HN 0.118 8.368 8.250 -0.000 0.000 0.526 274 R N 1.612 122.056 120.500 -0.093 0.000 2.623 274 R HA 0.132 4.471 4.340 -0.001 0.000 0.271 274 R C 0.022 176.325 176.300 0.006 0.000 1.043 274 R CA -0.069 56.035 56.100 0.007 0.000 1.083 274 R CB 0.295 30.656 30.300 0.101 0.000 0.974 274 R HN 0.051 8.321 8.270 -0.000 0.000 0.436 275 I N 3.328 123.918 120.570 0.033 0.000 2.588 275 I HA -0.013 4.157 4.170 -0.001 0.000 0.283 275 I C 0.420 176.587 176.117 0.084 0.000 1.119 275 I CA 0.255 61.586 61.300 0.052 0.000 1.419 275 I CB 0.927 38.972 38.000 0.075 0.000 1.394 275 I HN 0.836 9.046 8.210 -0.000 0.000 0.562 276 S N 5.898 121.650 115.700 0.087 0.000 2.617 276 S HA 0.319 4.788 4.470 -0.001 0.000 0.259 276 S C 1.113 175.793 174.600 0.134 0.000 1.301 276 S CA -0.022 58.248 58.200 0.117 0.000 0.984 276 S CB 1.535 64.799 63.200 0.107 0.000 0.954 276 S HN 0.807 9.117 8.310 -0.000 0.000 0.572 277 A N 1.302 124.218 122.820 0.160 0.000 1.873 277 A HA -0.014 4.306 4.320 -0.001 0.000 0.215 277 A C 2.210 179.848 177.584 0.090 0.000 1.186 277 A CA 1.621 53.722 52.037 0.105 0.000 0.616 277 A CB -1.125 17.907 19.000 0.055 0.000 0.823 277 A HN 0.945 9.095 8.150 -0.000 0.000 0.442 278 K N -0.465 119.994 120.400 0.099 0.000 2.052 278 K HA -0.251 4.069 4.320 -0.001 0.000 0.215 278 K C 2.209 178.873 176.600 0.106 0.000 1.053 278 K CA 1.703 58.043 56.287 0.088 0.000 0.934 278 K CB -0.343 32.210 32.500 0.089 0.000 0.717 278 K HN 0.445 8.695 8.250 -0.000 0.000 0.450 279 A N 0.621 123.510 122.820 0.115 0.000 1.873 279 A HA -0.087 4.232 4.320 -0.001 0.000 0.215 279 A C 2.294 179.993 177.584 0.191 0.000 1.186 279 A CA 1.854 53.971 52.037 0.133 0.000 0.616 279 A CB -0.857 18.210 19.000 0.113 0.000 0.823 279 A HN 0.456 8.606 8.150 -0.000 0.000 0.442 280 A N -0.208 122.733 122.820 0.201 0.000 1.986 280 A HA -0.128 4.192 4.320 -0.001 0.000 0.220 280 A C 2.099 179.934 177.584 0.418 0.000 1.171 280 A CA 1.605 53.816 52.037 0.290 0.000 0.640 280 A CB -0.686 18.454 19.000 0.234 0.000 0.811 280 A HN 0.501 8.651 8.150 -0.000 0.000 0.451 281 L N -1.109 120.270 121.223 0.260 0.000 2.191 281 L HA -0.183 4.157 4.340 -0.001 0.000 0.212 281 L C 2.852 179.945 176.870 0.371 0.000 1.103 281 L CA 0.832 55.822 54.840 0.251 0.000 0.769 281 L CB -0.373 41.740 42.059 0.090 0.000 0.908 281 L HN 0.452 8.682 8.230 -0.000 0.000 0.438 282 A N -2.054 120.949 122.820 0.304 0.000 2.167 282 A HA -0.113 4.206 4.320 -0.001 0.000 0.214 282 A C 1.111 178.868 177.584 0.287 0.000 1.151 282 A CA 0.175 52.361 52.037 0.249 0.000 0.735 282 A CB -0.611 18.485 19.000 0.159 0.000 0.802 282 A HN 0.319 8.469 8.150 -0.000 0.000 0.467 283 H N 0.463 119.709 119.070 0.294 0.000 2.848 283 H HA 0.088 4.644 4.556 -0.000 0.000 0.341 283 H C -1.727 173.704 175.328 0.171 0.000 1.060 283 H CA -1.214 54.959 56.048 0.209 0.000 1.444 283 H CB 1.129 31.007 29.762 0.194 0.000 1.446 283 H HN 0.029 8.309 8.280 -0.000 0.000 0.583 284 P HA -0.175 4.245 4.420 -0.000 0.000 0.222 284 P C 1.360 178.748 177.300 0.147 0.000 1.142 284 P CA 0.749 63.879 63.100 0.051 0.000 0.788 284 P CB -0.252 31.411 31.700 -0.062 0.000 0.767 285 F N -0.510 119.538 119.950 0.164 0.000 2.236 285 F HA -0.141 4.386 4.527 -0.001 0.000 0.302 285 F C 1.236 176.816 175.800 -0.367 0.000 1.073 285 F CA 1.347 59.231 58.000 -0.193 0.000 1.336 285 F CB -0.482 38.221 39.000 -0.495 0.000 1.040 285 F HN -0.176 8.124 8.300 -0.000 0.000 0.507 286 F N -0.450 119.488 119.950 -0.021 0.000 2.641 286 F HA 0.203 4.729 4.527 -0.001 0.000 0.302 286 F C 1.944 177.570 175.800 -0.290 0.000 1.098 286 F CA -0.115 57.723 58.000 -0.271 0.000 1.318 286 F CB -0.756 38.099 39.000 -0.242 0.000 1.035 286 F HN -0.071 8.229 8.300 -0.000 0.000 0.551 287 Q N 0.633 120.389 119.800 -0.072 0.000 2.167 287 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 287 Q C 1.031 176.965 176.000 -0.109 0.000 0.970 287 Q CA 1.556 57.320 55.803 -0.065 0.000 0.855 287 Q CB 0.079 28.794 28.738 -0.038 0.000 0.911 287 Q HN 0.345 8.615 8.270 -0.000 0.000 0.438 288 D N -0.561 119.747 120.400 -0.154 0.000 2.491 288 D HA 0.013 4.653 4.640 -0.001 0.000 0.228 288 D C -0.077 176.113 176.300 -0.182 0.000 1.183 288 D CA -0.199 53.711 54.000 -0.150 0.000 0.827 288 D CB -0.167 40.551 40.800 -0.137 0.000 0.989 288 D HN 0.003 8.373 8.370 -0.000 0.000 0.494 289 V N 1.730 121.509 119.914 -0.226 0.000 2.599 289 V HA 0.233 4.352 4.120 -0.001 0.000 0.300 289 V C 0.435 176.428 176.094 -0.168 0.000 1.034 289 V CA 0.588 62.744 62.300 -0.240 0.000 1.115 289 V CB 0.585 32.136 31.823 -0.454 0.000 0.934 289 V HN 0.539 8.729 8.190 -0.000 0.000 0.485 290 T N 3.436 117.923 114.554 -0.112 0.000 2.718 290 T HA 0.494 4.843 4.350 -0.001 0.000 0.267 290 T C -0.260 174.422 174.700 -0.030 0.000 0.957 290 T CA -0.793 61.270 62.100 -0.063 0.000 1.025 290 T CB 1.405 70.241 68.868 -0.054 0.000 1.355 290 T HN 0.615 8.855 8.240 -0.000 0.000 0.572 291 K N 2.162 122.554 120.400 -0.013 0.000 2.954 291 K HA 0.344 4.663 4.320 -0.001 0.000 0.171 291 K C -2.430 174.164 176.600 -0.010 0.000 1.079 291 K CA -1.692 54.597 56.287 0.003 0.000 0.908 291 K CB 0.440 32.957 32.500 0.029 0.000 1.142 291 K HN 0.483 8.733 8.250 -0.000 0.000 0.613 292 P HA 0.065 4.485 4.420 -0.000 0.000 0.275 292 P C -0.555 176.734 177.300 -0.020 0.000 1.266 292 P CA -0.568 62.517 63.100 -0.025 0.000 0.793 292 P CB 1.107 32.785 31.700 -0.037 0.000 1.074 293 V N -1.728 118.192 119.914 0.009 0.000 2.555 293 V HA 0.559 4.679 4.120 -0.001 0.000 0.302 293 V C -2.552 173.581 176.094 0.064 0.000 1.038 293 V CA -2.331 59.987 62.300 0.030 0.000 0.887 293 V CB 1.196 33.042 31.823 0.039 0.000 0.991 293 V HN 0.475 8.665 8.190 -0.000 0.000 0.434 294 P HA 0.147 4.567 4.420 -0.000 0.000 0.271 294 P C -0.740 176.688 177.300 0.214 0.000 1.216 294 P CA 0.091 63.285 63.100 0.157 0.000 0.776 294 P CB 0.332 31.975 31.700 -0.096 0.000 0.881 295 H N 4.370 123.567 119.070 0.211 0.000 2.872 295 H HA 0.154 4.710 4.556 -0.001 0.000 0.273 295 H C -0.063 175.419 175.328 0.257 0.000 1.205 295 H CA -0.652 55.500 56.048 0.173 0.000 1.342 295 H CB 0.368 30.202 29.762 0.119 0.000 1.469 295 H HN 0.174 8.454 8.280 -0.000 0.000 0.487 296 L N 0.000 121.163 121.223 -0.099 0.000 2.949 296 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 296 L CA 0.000 54.890 54.840 0.083 0.000 0.813 296 L CB 0.000 42.120 42.059 0.101 0.000 0.961 296 L HN 0.000 8.230 8.230 -0.000 0.000 0.502