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 1p57_1_B DATA FIRST_RESID 16 DATA SEQUENCE IVGGRDTSLG RWPWQVSLRY XDGAHLcGGS LLSGDWVLTA AHcFPERNRR DATA SEQUENCE VFAGAVAQAS PHGXXLQLGV QAVVYHGGYL PFXNSNDIAL VHLSSPLPLT DATA SEQUENCE EYIQPVCLPA AGQALVDGKI cTVTGWGNTQ YYGXQQAGVL QEARVPIISN DATA SEQUENCE DVcNGADFYQ IKPKMFcAYP IXXDAcQGDS GGPFVcEDSI SRRLCGIVSW DATA SEQUENCE GTXGcLAQKP GVYTKVSDFR EWIFQAIKTH SEASGMVTQ 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 16 I HA 0.000 4.194 4.170 0.040 0.000 0.288 16 I C 0.000 176.134 176.117 0.028 0.000 1.063 16 I CA 0.000 61.314 61.300 0.024 0.000 1.566 16 I CB 0.000 37.996 38.000 -0.007 0.000 1.214 17 V N 5.916 125.856 119.914 0.043 0.000 2.427 17 V HA 0.258 4.560 4.120 0.035 -0.161 0.286 17 V C 0.686 176.807 176.094 0.044 0.000 1.034 17 V CA -1.428 60.898 62.300 0.043 0.000 0.893 17 V CB 0.895 32.751 31.823 0.054 0.000 0.982 17 V HN 0.906 9.128 8.190 0.054 0.000 0.452 18 G N 6.939 115.758 108.800 0.031 0.000 2.176 18 G HA2 -0.406 3.562 3.960 0.014 0.000 0.252 18 G HA3 -0.406 3.720 3.960 0.023 -0.152 0.252 18 G C -0.823 174.091 174.900 0.023 0.000 1.024 18 G CA 0.457 45.570 45.100 0.022 0.000 0.755 18 G HN 0.743 9.050 8.290 0.028 0.000 0.507 19 G N -2.076 106.736 108.800 0.020 0.000 2.795 19 G HA2 0.470 4.461 3.960 0.022 0.000 0.267 19 G HA3 0.470 4.469 3.960 0.004 -0.037 0.267 19 G C -1.705 173.202 174.900 0.012 0.000 1.362 19 G CA -0.978 44.131 45.100 0.014 0.000 1.048 19 G HN -0.416 7.858 8.290 0.019 0.027 0.547 20 R N -2.870 117.637 120.500 0.011 0.000 2.836 20 R HA 0.336 4.685 4.340 0.014 0.000 0.269 20 R C -1.365 174.943 176.300 0.013 0.000 1.010 20 R CA -2.237 53.873 56.100 0.017 0.000 0.930 20 R CB 4.005 34.322 30.300 0.028 0.000 1.218 20 R HN 0.166 8.441 8.270 0.008 0.000 0.473 21 D N 0.452 120.861 120.400 0.015 0.000 2.399 21 D HA 0.189 4.972 4.640 -0.002 -0.143 0.241 21 D C 0.132 176.449 176.300 0.028 0.000 1.133 21 D CA 0.643 54.651 54.000 0.013 0.000 0.890 21 D CB 0.602 41.413 40.800 0.018 0.000 1.201 21 D HN -0.050 8.330 8.370 0.017 0.000 0.432 22 T N 2.333 116.906 114.554 0.031 0.000 2.905 22 T HA 0.288 4.680 4.350 0.070 0.000 0.283 22 T C -1.560 173.152 174.700 0.020 0.000 1.031 22 T CA -2.011 60.131 62.100 0.070 0.000 1.002 22 T CB 1.192 70.175 68.868 0.192 0.000 1.200 22 T HN 0.035 8.280 8.240 0.007 0.000 0.560 23 S N 0.976 116.668 115.700 -0.013 0.000 2.689 23 S HA 0.246 4.694 4.470 -0.036 0.000 0.306 23 S C -0.657 173.891 174.600 -0.087 0.000 1.104 23 S CA -1.354 56.817 58.200 -0.048 0.000 0.973 23 S CB 2.408 65.578 63.200 -0.051 0.000 1.121 23 S HN 0.138 8.432 8.310 -0.026 0.000 0.523 24 L N 1.914 123.068 121.223 -0.116 0.000 2.525 24 L HA -0.221 3.996 4.340 -0.205 0.000 0.278 24 L C 1.484 178.321 176.870 -0.054 0.000 1.218 24 L CA 1.778 56.500 54.840 -0.197 0.000 0.878 24 L CB -0.048 41.750 42.059 -0.434 0.000 1.127 24 L HN 0.362 8.527 8.230 -0.108 0.000 0.492 25 G N 0.393 109.206 108.800 0.022 0.000 2.205 25 G HA2 -0.322 3.807 3.960 0.125 0.000 0.261 25 G HA3 -0.322 3.734 3.960 0.159 0.000 0.261 25 G C -0.572 174.190 174.900 -0.230 0.000 0.980 25 G CA 0.455 45.589 45.100 0.056 0.000 0.632 25 G HN 0.505 8.773 8.290 -0.037 0.000 0.533 26 R N 0.201 120.479 120.500 -0.369 0.000 2.075 26 R HA -0.279 3.667 4.340 -0.657 0.000 0.226 26 R C -1.751 173.843 176.300 -1.177 0.000 1.114 26 R CA 2.131 57.767 56.100 -0.773 0.000 0.972 26 R CB 1.233 31.084 30.300 -0.748 0.000 0.869 26 R HN -0.478 7.549 8.270 -0.268 0.082 0.437 27 W N -4.615 116.393 121.300 -0.487 0.000 1.950 27 W HA 0.332 4.133 4.660 -1.431 0.000 0.289 27 W C -2.013 173.877 176.519 -1.048 0.000 0.883 27 W CA -2.681 54.094 57.345 -0.950 0.000 2.031 27 W CB 0.129 29.283 29.460 -0.510 0.000 2.266 27 W HN -0.005 7.906 8.180 -0.449 0.000 0.400 28 P HA -0.034 4.363 4.420 -0.182 -0.086 0.234 28 P C -0.340 176.894 177.300 -0.110 0.000 1.167 28 P CA 1.642 64.539 63.100 -0.340 0.000 0.763 28 P CB 0.321 31.906 31.700 -0.192 0.000 0.835 29 W N -4.477 116.930 121.300 0.177 0.000 3.003 29 W HA 0.272 5.142 4.660 0.151 -0.120 0.257 29 W C -0.422 176.205 176.519 0.179 0.000 1.308 29 W CA -2.244 55.201 57.345 0.167 0.000 1.529 29 W CB -1.102 28.456 29.460 0.163 0.000 1.115 29 W HN -0.419 6.920 8.180 -1.275 0.076 0.659 30 Q N 3.144 123.039 119.800 0.159 0.000 2.289 30 Q HA 0.207 4.886 4.340 0.315 -0.151 0.273 30 Q C -0.630 175.554 176.000 0.306 0.000 1.029 30 Q CA 0.689 56.626 55.803 0.223 0.000 0.896 30 Q CB 0.478 29.239 28.738 0.038 0.000 1.182 30 Q HN -0.689 7.439 8.270 -0.157 0.048 0.385 31 V N 0.032 120.181 119.914 0.391 0.000 3.102 31 V HA 0.855 5.326 4.120 0.421 -0.098 0.312 31 V C -1.992 174.447 176.094 0.574 0.000 1.135 31 V CA -3.025 59.526 62.300 0.419 0.000 1.022 31 V CB 3.756 35.747 31.823 0.281 0.000 1.056 31 V HN 0.154 8.569 8.190 0.375 0.000 0.436 32 S N 0.412 116.384 115.700 0.454 0.000 2.473 32 S HA 0.478 5.389 4.470 0.535 -0.120 0.307 32 S C -1.118 173.608 174.600 0.211 0.000 1.094 32 S CA -2.016 56.395 58.200 0.351 0.000 1.070 32 S CB 1.627 64.783 63.200 -0.072 0.000 1.019 32 S HN 0.288 8.828 8.310 0.383 0.000 0.480 33 L N 6.848 128.129 121.223 0.097 0.000 2.280 33 L HA 0.596 5.151 4.340 0.101 -0.154 0.287 33 L C -1.177 175.653 176.870 -0.067 0.000 1.023 33 L CA -1.152 53.711 54.840 0.038 0.000 0.819 33 L CB 0.816 42.882 42.059 0.012 0.000 1.212 33 L HN 0.957 9.216 8.230 0.048 0.000 0.420 34 R N 1.598 122.099 120.500 0.001 0.000 2.589 34 R HA 0.921 5.413 4.340 -0.062 -0.189 0.293 34 R C -1.471 174.871 176.300 0.071 0.000 0.963 34 R CA -1.508 54.584 56.100 -0.013 0.000 0.905 34 R CB 3.135 33.413 30.300 -0.038 0.000 1.144 34 R HN 0.553 8.853 8.270 0.051 0.000 0.459 38 G N -2.767 105.970 108.800 -0.106 0.000 2.241 38 G HA2 -0.327 3.577 3.960 -0.093 0.000 0.244 38 G HA3 -0.327 3.585 3.960 -0.081 0.000 0.244 38 G C -1.028 173.831 174.900 -0.069 0.000 0.998 38 G CA 0.483 45.532 45.100 -0.084 0.000 0.621 38 G HN -0.037 8.174 8.290 -0.113 0.011 0.519 39 A N 1.396 124.194 122.820 -0.037 0.000 2.325 39 A HA 0.319 4.615 4.320 -0.041 0.000 0.333 39 A C -2.200 175.372 177.584 -0.019 0.000 1.155 39 A CA -1.328 50.694 52.037 -0.024 0.000 0.814 39 A CB 2.349 21.348 19.000 -0.001 0.000 1.206 39 A HN -0.335 7.643 8.150 -0.020 0.159 0.482 40 H N 2.973 121.982 119.070 -0.102 0.000 2.819 40 H HA -0.064 4.556 4.556 -0.104 -0.126 0.303 40 H C -0.578 174.722 175.328 -0.047 0.000 1.058 40 H CA 1.231 57.216 56.048 -0.105 0.000 1.471 40 H CB -0.195 29.465 29.762 -0.171 0.000 1.480 40 H HN 0.545 8.850 8.280 0.042 0.000 0.517 41 L N 5.377 126.287 121.223 -0.522 0.000 2.526 41 L HA 0.270 4.489 4.340 -0.203 0.000 0.210 41 L C -0.791 175.805 176.870 -0.455 0.000 1.048 41 L CA 0.911 55.535 54.840 -0.359 0.000 0.852 41 L CB 2.054 43.970 42.059 -0.239 0.000 1.128 41 L HN 0.213 8.123 8.230 -0.533 0.000 0.482 42 c N -4.144 114.114 118.600 -0.569 0.000 3.236 42 c HA 0.530 5.055 4.570 -0.172 -0.058 0.312 42 c C -1.305 172.732 174.090 -0.087 0.000 1.374 42 c CA -0.739 55.416 56.329 -0.290 0.000 1.455 42 c CB 4.196 46.549 42.510 -0.261 0.000 1.834 42 c HN -0.428 7.443 8.230 -0.598 0.000 0.460 43 G N -0.835 108.043 108.800 0.130 0.000 2.521 43 G HA2 0.776 5.162 3.960 0.484 0.000 0.323 43 G HA3 0.776 4.932 3.960 0.327 0.000 0.323 43 G C -2.478 172.548 174.900 0.210 0.000 1.211 43 G CA -1.554 43.735 45.100 0.315 0.000 0.979 43 G HN 0.769 9.101 8.290 0.071 0.000 0.490 44 G N -3.877 105.080 108.800 0.261 0.000 2.576 44 G HA2 0.567 4.918 3.960 0.194 0.000 0.290 44 G HA3 0.567 4.666 3.960 0.233 0.000 0.290 44 G C -2.970 172.093 174.900 0.271 0.000 1.442 44 G CA 0.160 45.400 45.100 0.233 0.000 0.792 44 G HN -0.548 7.936 8.290 0.323 0.000 0.491 45 S N 0.308 116.163 115.700 0.258 0.000 2.532 45 S HA 0.730 5.622 4.470 0.371 -0.199 0.299 45 S C -0.514 174.252 174.600 0.276 0.000 1.105 45 S CA -1.077 57.301 58.200 0.297 0.000 1.018 45 S CB 3.400 66.744 63.200 0.239 0.000 1.021 45 S HN 0.379 8.827 8.310 0.231 0.000 0.483 46 L N 4.774 126.186 121.223 0.314 0.000 2.367 46 L HA 0.010 4.650 4.340 0.267 -0.140 0.275 46 L C -0.102 176.914 176.870 0.244 0.000 1.129 46 L CA 0.581 55.588 54.840 0.279 0.000 0.839 46 L CB 0.072 42.298 42.059 0.279 0.000 1.133 46 L HN 0.593 8.944 8.230 0.386 0.111 0.453 47 L N 1.577 122.942 121.223 0.236 0.000 2.470 47 L HA 0.295 4.717 4.340 0.137 0.000 0.219 47 L C 0.137 177.128 176.870 0.202 0.000 1.071 47 L CA 0.252 55.202 54.840 0.183 0.000 0.850 47 L CB 1.441 43.596 42.059 0.161 0.000 1.040 47 L HN 0.693 9.089 8.230 0.277 0.000 0.475 48 S N -3.650 112.203 115.700 0.254 0.000 2.757 48 S HA 0.192 4.779 4.470 0.195 0.000 0.285 48 S C 0.511 175.243 174.600 0.219 0.000 1.196 48 S CA -0.659 57.684 58.200 0.238 0.000 0.856 48 S CB 1.936 65.313 63.200 0.297 0.000 1.212 48 S HN -0.695 7.787 8.310 0.286 0.000 0.516 49 G N -1.940 106.968 108.800 0.179 0.000 2.509 49 G HA2 -0.152 3.885 3.960 0.129 0.000 0.218 49 G HA3 -0.152 3.959 3.960 0.108 -0.086 0.218 49 G C -0.273 174.692 174.900 0.109 0.000 1.124 49 G CA 1.833 47.011 45.100 0.131 0.000 0.776 49 G HN 0.462 8.857 8.290 0.175 0.000 0.547 50 D N -3.166 117.313 120.400 0.131 0.000 2.540 50 D HA 0.190 4.815 4.640 -0.025 0.000 0.229 50 D C -1.809 174.454 176.300 -0.063 0.000 1.250 50 D CA -1.716 52.286 54.000 0.003 0.000 0.817 50 D CB 0.178 40.936 40.800 -0.070 0.000 1.060 50 D HN -0.570 7.887 8.370 0.212 0.040 0.508 51 W N -2.348 119.055 121.300 0.171 0.000 2.739 51 W HA 0.630 5.615 4.660 0.196 -0.208 0.331 51 W C -1.617 174.989 176.519 0.145 0.000 1.049 51 W CA -1.023 56.419 57.345 0.163 0.000 1.234 51 W CB 3.896 33.425 29.460 0.114 0.000 1.404 51 W HN -0.679 7.707 8.180 0.343 0.000 0.477 52 V N 2.593 122.754 119.914 0.411 0.000 2.604 52 V HA 0.707 5.182 4.120 0.291 -0.181 0.305 52 V C -2.088 174.191 176.094 0.308 0.000 1.043 52 V CA -1.317 61.169 62.300 0.309 0.000 0.888 52 V CB 3.477 35.451 31.823 0.252 0.000 0.995 52 V HN 0.937 9.389 8.190 0.437 0.000 0.429 53 L N 7.519 128.894 121.223 0.252 0.000 2.307 53 L HA 0.826 5.457 4.340 0.241 -0.146 0.284 53 L C -1.741 175.243 176.870 0.189 0.000 1.023 53 L CA -1.299 53.669 54.840 0.214 0.000 0.810 53 L CB 2.809 44.966 42.059 0.164 0.000 1.231 53 L HN 0.887 9.154 8.230 0.240 0.107 0.423 54 T N 4.827 119.486 114.554 0.174 0.000 2.598 54 T HA 0.627 5.257 4.350 0.106 -0.216 0.289 54 T C -2.183 172.543 174.700 0.043 0.000 1.056 54 T CA -2.953 59.223 62.100 0.127 0.000 1.088 54 T CB 1.824 70.805 68.868 0.188 0.000 1.519 54 T HN 0.691 9.045 8.240 0.189 0.000 0.488 55 A N -0.939 121.854 122.820 -0.046 0.000 2.312 55 A HA 0.448 4.792 4.320 -0.188 -0.137 0.326 55 A C 0.231 177.720 177.584 -0.159 0.000 1.172 55 A CA -1.638 50.285 52.037 -0.189 0.000 0.821 55 A CB 1.438 20.235 19.000 -0.340 0.000 1.166 55 A HN 0.429 8.544 8.150 -0.058 0.000 0.493 56 A N 5.486 128.144 122.820 -0.270 0.000 1.933 56 A HA -0.341 4.097 4.320 0.197 0.000 0.218 56 A C 1.119 178.588 177.584 -0.192 0.000 1.175 56 A CA 2.936 54.853 52.037 -0.199 0.000 0.628 56 A CB -0.322 18.317 19.000 -0.601 0.000 0.814 56 A HN 0.641 8.578 8.150 -0.384 -0.017 0.444 57 H N -3.732 115.024 119.070 -0.522 0.000 2.568 57 H HA -0.145 4.375 4.556 -0.061 0.000 0.281 57 H C 0.583 175.882 175.328 -0.049 0.000 1.028 57 H CA 1.740 57.662 56.048 -0.209 0.000 1.199 57 H CB -0.903 28.738 29.762 -0.203 0.000 1.352 57 H HN 0.182 8.437 8.280 -0.599 -0.335 0.605 58 c N -2.221 116.160 118.600 -0.366 0.000 2.576 58 c HA -0.095 4.204 4.570 -0.452 0.000 0.267 58 c C -1.237 172.322 174.090 -0.885 0.000 1.364 58 c CA 1.134 57.073 56.329 -0.649 0.000 1.723 58 c CB -0.548 41.456 42.510 -0.843 0.000 1.778 58 c HN -0.821 7.031 8.230 -0.320 0.187 0.572 59 F N -1.487 118.470 119.950 0.011 0.000 2.530 59 F HA 0.398 4.818 4.527 -0.178 0.000 0.318 59 F C -2.297 173.342 175.800 -0.269 0.000 1.356 59 F CA -2.728 55.206 58.000 -0.110 0.000 1.135 59 F CB -0.303 38.642 39.000 -0.093 0.000 1.315 59 F HN -0.466 7.879 8.300 0.184 0.066 0.549 60 P HA 0.053 4.177 4.420 -0.494 0.000 0.274 60 P C 0.707 177.839 177.300 -0.280 0.000 1.246 60 P CA -0.661 62.297 63.100 -0.237 0.000 0.795 60 P CB 0.560 32.229 31.700 -0.052 0.000 1.006 61 E N 0.576 120.613 120.200 -0.273 0.000 2.114 61 E HA -0.507 3.721 4.350 -0.202 0.000 0.199 61 E C 2.173 178.699 176.600 -0.124 0.000 1.008 61 E CA 3.899 60.189 56.400 -0.183 0.000 0.810 61 E CB -0.283 29.340 29.700 -0.128 0.000 0.739 61 E HN 0.539 8.729 8.360 -0.282 0.000 0.456 62 R N -5.397 115.032 120.500 -0.117 0.000 2.328 62 R HA -0.229 4.088 4.340 -0.040 0.000 0.207 62 R C 0.072 176.267 176.300 -0.174 0.000 1.056 62 R CA 1.339 57.386 56.100 -0.088 0.000 1.016 62 R CB -0.250 30.011 30.300 -0.065 0.000 0.872 62 R HN -0.044 8.143 8.270 -0.118 0.013 0.471 63 N N -2.178 116.333 118.700 -0.314 0.000 2.599 63 N HA 0.220 4.254 4.740 -1.176 0.000 0.309 63 N C -1.984 173.329 175.510 -0.328 0.000 1.743 63 N CA -0.218 52.381 53.050 -0.751 0.000 0.918 63 N CB 0.314 38.243 38.487 -0.929 0.000 1.339 63 N HN 0.156 8.197 8.380 -0.245 0.192 0.493 64 R N 0.031 120.491 120.500 -0.067 0.000 2.790 64 R HA 0.201 4.602 4.340 0.102 0.000 0.274 64 R C -1.551 174.827 176.300 0.130 0.000 1.334 64 R CA -0.855 55.277 56.100 0.054 0.000 1.543 64 R CB -0.694 29.603 30.300 -0.005 0.000 1.154 64 R HN -0.681 7.563 8.270 -0.043 0.000 0.601 65 R N 0.251 120.797 120.500 0.077 0.000 2.604 65 R HA 0.369 4.903 4.340 0.061 -0.157 0.287 65 R C -1.012 175.349 176.300 0.102 0.000 0.970 65 R CA -3.565 52.575 56.100 0.067 0.000 0.946 65 R CB 1.856 32.182 30.300 0.044 0.000 1.127 65 R HN -0.324 7.999 8.270 0.089 0.000 0.473 66 V N 2.833 122.816 119.914 0.114 0.000 2.417 66 V HA 0.439 4.834 4.120 0.164 -0.177 0.291 66 V C -1.846 174.358 176.094 0.183 0.000 1.024 66 V CA -0.574 61.815 62.300 0.148 0.000 0.861 66 V CB 1.898 33.796 31.823 0.125 0.000 0.985 66 V HN 0.632 8.878 8.190 0.093 0.000 0.436 67 F N 9.126 129.099 119.950 0.038 0.000 2.444 67 F HA 1.004 5.765 4.527 0.019 -0.223 0.342 67 F C -2.291 173.555 175.800 0.077 0.000 1.121 67 F CA -2.893 55.117 58.000 0.017 0.000 0.997 67 F CB 3.551 42.509 39.000 -0.070 0.000 1.130 67 F HN 0.815 9.288 8.300 0.288 0.000 0.454 68 A N 5.733 128.324 122.820 -0.382 0.000 2.527 68 A HA 0.602 4.833 4.320 -0.147 0.000 0.293 68 A C -1.425 175.936 177.584 -0.371 0.000 1.117 68 A CA -1.591 50.288 52.037 -0.264 0.000 0.723 68 A CB 3.453 22.433 19.000 -0.032 0.000 1.313 68 A HN 0.808 8.719 8.150 -0.397 0.000 0.411 69 G N -2.089 106.609 108.800 -0.170 0.000 2.143 69 G HA2 -0.425 3.723 3.960 0.005 0.000 0.248 69 G HA3 -0.425 3.493 3.960 -0.071 0.000 0.248 69 G C -1.938 172.855 174.900 -0.180 0.000 0.991 69 G CA 0.474 45.511 45.100 -0.104 0.000 0.689 69 G HN 0.864 9.115 8.290 -0.065 0.000 0.522 70 A N -2.329 120.371 122.820 -0.200 0.000 2.587 70 A HA 0.431 4.669 4.320 -0.138 0.000 0.293 70 A C -1.748 175.953 177.584 0.195 0.000 1.087 70 A CA -1.000 51.000 52.037 -0.062 0.000 0.692 70 A CB 2.950 21.965 19.000 0.024 0.000 1.291 70 A HN -0.617 7.367 8.150 -0.218 0.036 0.407 71 V N -6.137 113.899 119.914 0.203 0.000 3.621 71 V HA 0.048 4.435 4.120 0.445 0.000 0.263 71 V C -1.253 175.137 176.094 0.493 0.000 1.272 71 V CA 0.589 63.080 62.300 0.318 0.000 1.080 71 V CB 1.014 32.892 31.823 0.092 0.000 0.816 71 V HN -0.043 8.201 8.190 0.090 0.000 0.451 72 A N -0.913 122.124 122.820 0.361 0.000 2.274 72 A HA 0.583 5.293 4.320 0.299 -0.211 0.309 72 A C 0.670 178.386 177.584 0.220 0.000 1.226 72 A CA -1.434 50.769 52.037 0.276 0.000 0.853 72 A CB 0.934 20.028 19.000 0.157 0.000 1.146 72 A HN -0.464 7.854 8.150 0.279 0.000 0.518 73 Q N 5.693 125.488 119.800 -0.008 0.000 2.181 73 Q HA -0.371 3.521 4.340 -0.748 0.000 0.205 73 Q C 1.227 176.976 176.000 -0.418 0.000 0.980 73 Q CA 3.413 58.943 55.803 -0.454 0.000 0.862 73 Q CB 0.204 28.626 28.738 -0.527 0.000 0.905 73 Q HN 0.273 8.585 8.270 0.069 0.000 0.429 74 A N -2.510 120.217 122.820 -0.156 0.000 2.833 74 A HA 0.206 4.417 4.320 -0.181 0.000 0.293 74 A C -0.895 176.700 177.584 0.017 0.000 1.338 74 A CA -1.054 50.920 52.037 -0.105 0.000 0.959 74 A CB -1.025 17.934 19.000 -0.069 0.000 1.094 74 A HN 0.002 8.083 8.150 -0.072 0.026 0.569 75 S N 0.544 116.321 115.700 0.129 0.000 2.513 75 S HA 0.314 4.891 4.470 0.178 0.000 0.276 75 S C 0.006 174.725 174.600 0.197 0.000 1.254 75 S CA -3.417 54.916 58.200 0.222 0.000 1.053 75 S CB 0.780 64.168 63.200 0.313 0.000 0.958 75 S HN -0.572 7.746 8.310 0.153 0.083 0.491 76 P HA 0.061 4.481 4.420 -0.000 0.000 0.236 76 P C -0.408 176.807 177.300 -0.142 0.000 1.177 76 P CA 0.813 63.873 63.100 -0.066 0.000 0.773 76 P CB 0.331 31.924 31.700 -0.179 0.000 0.878 77 H N -1.538 117.576 119.070 0.073 0.000 2.524 77 H HA 0.169 4.746 4.556 0.036 0.000 0.280 77 H C 0.138 175.466 175.328 -0.001 0.000 1.018 77 H CA 0.017 56.086 56.048 0.036 0.000 1.165 77 H CB -0.625 29.145 29.762 0.012 0.000 1.411 77 H HN -0.477 7.875 8.280 0.227 0.064 0.569 82 Q N 0.849 120.691 119.800 0.071 0.000 2.290 82 Q HA 0.821 5.515 4.340 0.135 -0.273 0.269 82 Q C -1.169 174.865 176.000 0.057 0.000 1.016 82 Q CA -0.886 54.981 55.803 0.108 0.000 0.754 82 Q CB 2.256 31.075 28.738 0.134 0.000 1.247 82 Q HN 0.160 8.463 8.270 0.054 0.000 0.451 83 L N 3.180 124.433 121.223 0.050 0.000 2.301 83 L HA 0.385 4.732 4.340 0.012 0.000 0.264 83 L C -0.975 175.907 176.870 0.019 0.000 1.016 83 L CA -1.842 53.010 54.840 0.020 0.000 0.821 83 L CB 3.308 45.369 42.059 0.003 0.000 1.346 83 L HN 0.597 8.868 8.230 0.068 0.000 0.429 84 G N -1.387 107.411 108.800 -0.004 0.000 2.557 84 G HA2 0.334 4.302 3.960 0.013 0.000 0.292 84 G HA3 0.334 4.284 3.960 -0.017 0.000 0.292 84 G C -1.738 173.149 174.900 -0.021 0.000 1.237 84 G CA -1.400 43.696 45.100 -0.006 0.000 0.978 84 G HN -0.105 8.175 8.290 -0.017 0.000 0.498 85 V N -0.999 118.908 119.914 -0.011 0.000 2.495 85 V HA 0.173 4.373 4.120 -0.056 -0.113 0.298 85 V C -0.232 175.831 176.094 -0.052 0.000 1.031 85 V CA -0.493 61.793 62.300 -0.023 0.000 0.871 85 V CB 2.348 34.198 31.823 0.045 0.000 0.988 85 V HN 0.295 8.488 8.190 0.004 0.000 0.432 86 Q N 8.352 128.086 119.800 -0.109 0.000 2.304 86 Q HA 0.058 4.355 4.340 -0.073 0.000 0.204 86 Q C -1.087 174.889 176.000 -0.040 0.000 0.936 86 Q CA 1.356 57.096 55.803 -0.104 0.000 0.878 86 Q CB 2.800 31.396 28.738 -0.236 0.000 0.983 86 Q HN 1.060 9.133 8.270 -0.153 0.105 0.516 87 A N -4.466 118.335 122.820 -0.031 0.000 2.610 87 A HA 0.669 5.171 4.320 -0.010 -0.189 0.291 87 A C -2.822 174.745 177.584 -0.028 0.000 1.086 87 A CA -0.634 51.400 52.037 -0.004 0.000 0.677 87 A CB 3.525 22.552 19.000 0.044 0.000 1.278 87 A HN -0.589 7.524 8.150 -0.061 0.000 0.414 88 V N -0.365 119.510 119.914 -0.064 0.000 2.638 88 V HA 0.781 5.050 4.120 -0.085 -0.200 0.306 88 V C -1.670 174.389 176.094 -0.058 0.000 1.052 88 V CA -1.064 61.150 62.300 -0.144 0.000 0.885 88 V CB 4.193 35.733 31.823 -0.471 0.000 0.999 88 V HN 0.730 8.889 8.190 -0.052 0.000 0.424 89 V N 7.001 126.922 119.914 0.011 0.000 2.378 89 V HA 0.619 4.784 4.120 -0.131 -0.124 0.288 89 V C -1.291 174.934 176.094 0.218 0.000 1.016 89 V CA -1.414 60.873 62.300 -0.021 0.000 0.840 89 V CB 1.322 33.065 31.823 -0.133 0.000 0.994 89 V HN 0.732 8.961 8.190 0.065 0.000 0.431 90 Y N 4.221 124.619 120.300 0.162 0.000 2.587 90 Y HA 0.594 5.302 4.550 0.263 0.000 0.337 90 Y C -1.781 174.320 175.900 0.334 0.000 1.065 90 Y CA -3.672 54.576 58.100 0.245 0.000 1.126 90 Y CB 2.772 41.367 38.460 0.224 0.000 1.279 90 Y HN 0.854 9.074 8.280 -0.101 0.000 0.489 91 H N 3.024 122.255 119.070 0.267 0.000 2.955 91 H HA 0.124 4.992 4.556 0.151 -0.221 0.290 91 H C 1.625 177.074 175.328 0.202 0.000 1.047 91 H CA 1.143 57.215 56.048 0.039 0.000 1.484 91 H CB 1.061 30.582 29.762 -0.402 0.000 1.501 91 H HN -0.268 8.216 8.280 0.340 0.000 0.521 92 G N 6.905 115.830 108.800 0.209 0.000 2.462 92 G HA2 -0.296 3.790 3.960 0.209 0.000 0.220 92 G HA3 -0.296 3.746 3.960 0.135 0.000 0.220 92 G C 0.057 175.168 174.900 0.352 0.000 1.121 92 G CA 1.430 46.668 45.100 0.229 0.000 0.758 92 G HN 0.390 8.572 8.290 0.026 0.123 0.559 93 G N -1.529 107.584 108.800 0.522 0.000 3.061 93 G HA2 -0.149 3.923 3.960 0.187 0.000 0.208 93 G HA3 -0.149 3.931 3.960 0.201 0.000 0.208 93 G C -0.415 174.570 174.900 0.143 0.000 1.175 93 G CA -0.494 44.760 45.100 0.256 0.000 0.812 93 G HN -0.520 8.364 8.290 1.030 0.024 0.523 94 Y N 4.067 124.419 120.300 0.087 0.000 2.636 94 Y HA 0.255 4.906 4.550 -0.148 -0.189 0.334 94 Y C -0.247 175.629 175.900 -0.040 0.000 1.286 94 Y CA -3.563 54.493 58.100 -0.073 0.000 1.688 94 Y CB -1.793 36.567 38.460 -0.167 0.000 1.662 94 Y HN -0.350 7.991 8.280 0.429 0.197 0.465 95 L N 5.857 126.934 121.223 -0.243 0.000 2.123 95 L HA -0.315 3.988 4.340 -0.061 0.000 0.217 95 L C -0.122 176.568 176.870 -0.299 0.000 1.081 95 L CA 3.736 58.450 54.840 -0.210 0.000 0.772 95 L CB -2.739 39.206 42.059 -0.190 0.000 0.890 95 L HN 0.012 8.086 8.230 -0.168 0.055 0.437 96 P HA -0.191 4.070 4.420 -0.265 0.000 0.229 96 P C -0.924 176.397 177.300 0.034 0.000 1.150 96 P CA 1.287 64.109 63.100 -0.463 0.000 0.765 96 P CB 0.165 31.351 31.700 -0.856 0.000 0.783 100 S N 0.716 116.416 115.700 -0.000 0.000 2.593 100 S HA 0.041 4.560 4.470 0.082 0.000 0.269 100 S C -0.603 174.027 174.600 0.051 0.000 1.334 100 S CA 1.053 59.281 58.200 0.047 0.000 1.015 100 S CB 1.137 64.350 63.200 0.022 0.000 0.912 100 S HN -0.238 8.030 8.310 -0.070 0.000 0.541 101 N N -2.684 115.993 118.700 -0.039 0.000 2.780 101 N HA -0.322 4.072 4.740 -0.576 0.000 0.248 101 N C -1.332 173.967 175.510 -0.352 0.000 1.102 101 N CA 0.984 53.819 53.050 -0.357 0.000 0.697 101 N CB -0.920 37.257 38.487 -0.516 0.000 1.028 101 N HN 0.682 9.095 8.380 0.056 0.000 0.554 102 D N -0.732 119.487 120.400 -0.302 0.000 2.517 102 D HA 0.078 4.165 4.640 -0.922 0.000 0.220 102 D C -2.169 173.850 176.300 -0.469 0.000 1.158 102 D CA -0.316 53.390 54.000 -0.490 0.000 0.992 102 D CB -0.696 39.972 40.800 -0.219 0.000 1.058 102 D HN -0.077 8.161 8.370 -0.195 0.016 0.516 103 I N 2.642 122.905 120.570 -0.512 0.000 2.841 103 I HA 0.702 4.877 4.170 -0.280 -0.173 0.298 103 I C -3.282 172.724 176.117 -0.186 0.000 1.304 103 I CA -1.581 59.472 61.300 -0.411 0.000 1.019 103 I CB 4.178 41.718 38.000 -0.767 0.000 1.282 103 I HN -0.107 7.760 8.210 -0.513 0.036 0.432 104 A N 4.958 127.807 122.820 0.049 0.000 2.606 104 A HA 0.855 5.549 4.320 0.432 -0.115 0.293 104 A C -2.928 174.847 177.584 0.319 0.000 1.082 104 A CA -1.223 50.977 52.037 0.272 0.000 0.685 104 A CB 3.918 23.059 19.000 0.236 0.000 1.284 104 A HN 0.576 8.751 8.150 0.042 0.000 0.408 105 L N -0.628 120.801 121.223 0.344 0.000 2.346 105 L HA 0.953 5.691 4.340 0.343 -0.192 0.274 105 L C -1.384 175.672 176.870 0.311 0.000 1.007 105 L CA -1.449 53.602 54.840 0.352 0.000 0.818 105 L CB 4.335 46.583 42.059 0.315 0.000 1.284 105 L HN 0.564 9.002 8.230 0.347 0.000 0.424 106 V N 1.678 121.791 119.914 0.331 0.000 2.487 106 V HA 0.450 4.773 4.120 0.083 -0.153 0.298 106 V C -1.674 174.473 176.094 0.088 0.000 1.028 106 V CA -1.203 61.199 62.300 0.171 0.000 0.860 106 V CB 2.235 34.165 31.823 0.177 0.000 0.991 106 V HN 0.943 9.268 8.190 0.399 0.104 0.427 107 H N 8.574 127.467 119.070 -0.295 0.000 2.556 107 H HA 0.626 4.745 4.556 -1.042 -0.189 0.310 107 H C -0.586 174.525 175.328 -0.362 0.000 1.057 107 H CA -3.114 52.497 56.048 -0.730 0.000 1.264 107 H CB 1.370 30.566 29.762 -0.943 0.000 1.404 107 H HN 0.877 9.142 8.280 -0.024 0.000 0.462 108 L N 5.787 126.788 121.223 -0.370 0.000 2.452 108 L HA 0.008 4.392 4.340 -0.160 -0.140 0.267 108 L C 0.704 177.340 176.870 -0.390 0.000 1.188 108 L CA 0.139 54.823 54.840 -0.260 0.000 0.821 108 L CB 0.384 42.357 42.059 -0.144 0.000 1.102 108 L HN 0.009 8.029 8.230 -0.350 0.000 0.470 109 S N -0.583 114.976 115.700 -0.236 0.000 2.423 109 S HA -0.215 4.086 4.470 -0.282 0.000 0.231 109 S C 0.316 174.799 174.600 -0.196 0.000 1.014 109 S CA 1.994 60.063 58.200 -0.218 0.000 0.965 109 S CB 0.776 63.906 63.200 -0.117 0.000 0.785 109 S HN 0.189 8.297 8.310 -0.151 0.111 0.495 110 S N -0.051 115.555 115.700 -0.155 0.000 2.556 110 S HA 0.283 4.684 4.470 -0.116 0.000 0.271 110 S C -2.670 171.881 174.600 -0.083 0.000 1.135 110 S CA -2.145 55.992 58.200 -0.104 0.000 0.858 110 S CB 1.986 65.150 63.200 -0.059 0.000 1.114 110 S HN -0.758 7.445 8.310 -0.141 0.022 0.468 111 P HA 0.020 4.568 4.420 -0.020 -0.140 0.281 111 P C -1.415 175.891 177.300 0.010 0.000 1.249 111 P CA -0.694 62.401 63.100 -0.010 0.000 0.810 111 P CB 0.927 32.639 31.700 0.020 0.000 1.008 112 L N 1.711 122.952 121.223 0.030 0.000 2.395 112 L HA 0.429 4.784 4.340 0.026 0.000 0.269 112 L C -1.319 175.577 176.870 0.044 0.000 1.133 112 L CA -2.343 52.520 54.840 0.037 0.000 0.812 112 L CB -0.268 41.823 42.059 0.054 0.000 1.125 112 L HN 0.408 8.538 8.230 0.041 0.125 0.452 113 P HA -0.031 4.412 4.420 0.038 0.000 0.271 113 P C -1.744 175.584 177.300 0.047 0.000 1.218 113 P CA -0.463 62.660 63.100 0.038 0.000 0.780 113 P CB 0.511 32.229 31.700 0.029 0.000 0.901 114 L N 0.852 122.102 121.223 0.045 0.000 2.272 114 L HA 0.348 4.862 4.340 0.065 -0.135 0.289 114 L C -0.034 176.850 176.870 0.022 0.000 1.032 114 L CA -0.752 54.119 54.840 0.051 0.000 0.810 114 L CB 0.744 42.841 42.059 0.063 0.000 1.205 114 L HN 0.036 8.290 8.230 0.040 0.000 0.422 115 T N 1.148 115.707 114.554 0.009 0.000 2.693 115 T HA 0.367 4.684 4.350 -0.055 0.000 0.278 115 T C 0.133 174.770 174.700 -0.105 0.000 0.994 115 T CA -1.944 60.124 62.100 -0.053 0.000 1.033 115 T CB 2.011 70.850 68.868 -0.049 0.000 1.342 115 T HN 0.300 8.559 8.240 0.031 0.000 0.538 116 E N -2.083 117.965 120.200 -0.254 0.000 2.472 116 E HA -0.189 4.055 4.350 -0.177 0.000 0.200 116 E C -0.630 175.793 176.600 -0.295 0.000 1.046 116 E CA 1.995 58.200 56.400 -0.325 0.000 0.871 116 E CB -1.061 28.348 29.700 -0.486 0.000 0.806 116 E HN 0.683 8.868 8.360 -0.293 0.000 0.533 117 Y N -3.050 117.225 120.300 -0.042 0.000 2.445 117 Y HA 0.161 4.655 4.550 -0.093 0.000 0.247 117 Y C -0.788 175.082 175.900 -0.049 0.000 1.129 117 Y CA -1.187 56.876 58.100 -0.062 0.000 1.251 117 Y CB 1.553 39.981 38.460 -0.053 0.000 1.176 117 Y HN -0.689 7.427 8.280 -0.158 0.069 0.522 118 I N -0.255 120.380 120.570 0.108 0.000 2.476 118 I HA 0.393 4.828 4.170 0.100 -0.206 0.281 118 I C -1.817 174.366 176.117 0.109 0.000 1.040 118 I CA -1.165 60.194 61.300 0.099 0.000 1.094 118 I CB 1.479 39.531 38.000 0.088 0.000 1.219 118 I HN -0.787 7.342 8.210 0.064 0.119 0.450 119 Q N 5.742 125.639 119.800 0.162 0.000 2.379 119 Q HA 0.537 4.981 4.340 0.173 0.000 0.278 119 Q C -2.928 173.282 176.000 0.351 0.000 1.068 119 Q CA -3.531 52.407 55.803 0.225 0.000 0.816 119 Q CB 3.504 32.385 28.738 0.239 0.000 1.387 119 Q HN -0.028 8.219 8.270 0.170 0.125 0.413 120 P HA 0.133 4.880 4.420 0.337 -0.124 0.276 120 P C -1.531 175.919 177.300 0.250 0.000 1.252 120 P CA -0.592 62.679 63.100 0.286 0.000 0.802 120 P CB 1.225 33.041 31.700 0.193 0.000 1.035 121 V N -0.505 119.450 119.914 0.068 0.000 2.850 121 V HA 0.081 3.905 4.120 -0.494 0.000 0.315 121 V C -0.685 175.307 176.094 -0.169 0.000 1.064 121 V CA -1.772 60.314 62.300 -0.356 0.000 0.979 121 V CB 2.726 34.054 31.823 -0.824 0.000 1.039 121 V HN -0.010 8.252 8.190 0.120 0.000 0.452 122 C N 4.288 123.463 119.300 -0.208 0.000 2.347 122 C HA 0.143 4.588 4.460 -0.026 0.000 0.366 122 C C -0.506 174.443 174.990 -0.069 0.000 1.241 122 C CA 0.184 59.152 59.018 -0.083 0.000 2.360 122 C CB 0.646 28.349 27.740 -0.062 0.000 2.290 122 C HN -0.127 7.906 8.230 -0.328 0.000 0.587 123 L N -0.786 120.432 121.223 -0.009 0.000 2.352 123 L HA 0.409 4.739 4.340 -0.016 0.000 0.269 123 L C -1.521 175.358 176.870 0.014 0.000 1.034 123 L CA -2.766 52.075 54.840 0.002 0.000 0.806 123 L CB 0.487 42.552 42.059 0.012 0.000 1.244 123 L HN 0.109 8.353 8.230 0.023 0.000 0.447 124 P HA 0.035 4.593 4.420 0.005 -0.136 0.267 124 P C -0.965 176.363 177.300 0.046 0.000 1.200 124 P CA -0.323 62.788 63.100 0.019 0.000 0.772 124 P CB 0.078 31.787 31.700 0.015 0.000 0.855 125 A N 2.705 125.547 122.820 0.036 0.000 2.313 125 A HA 0.072 4.438 4.320 0.076 0.000 0.261 125 A C -0.331 177.284 177.584 0.051 0.000 1.090 125 A CA -1.549 50.518 52.037 0.050 0.000 0.807 125 A CB 0.906 19.922 19.000 0.027 0.000 1.055 125 A HN 0.510 9.083 8.150 0.018 -0.412 0.492 126 A N 0.570 123.426 122.820 0.060 0.000 2.546 126 A HA -0.100 4.261 4.320 0.067 0.000 0.243 126 A C 0.976 178.575 177.584 0.025 0.000 1.063 126 A CA 1.751 53.819 52.037 0.052 0.000 0.757 126 A CB -0.596 18.432 19.000 0.047 0.000 0.991 126 A HN -0.058 8.130 8.150 0.062 0.000 0.503 127 G N 2.529 111.339 108.800 0.018 0.000 2.212 127 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.266 127 G HA3 -0.353 3.608 3.960 0.002 0.000 0.266 127 G C -0.218 174.680 174.900 -0.005 0.000 0.978 127 G CA 0.206 45.308 45.100 0.003 0.000 0.632 127 G HN 0.277 8.581 8.290 0.023 0.000 0.537 128 Q N 2.067 121.867 119.800 -0.001 0.000 2.271 128 Q HA -0.114 4.218 4.340 -0.014 0.000 0.273 128 Q C -1.374 174.610 176.000 -0.026 0.000 1.051 128 Q CA 0.350 56.146 55.803 -0.012 0.000 0.901 128 Q CB 0.291 29.026 28.738 -0.006 0.000 1.174 128 Q HN -0.178 7.898 8.270 0.010 0.200 0.385 129 A N 4.942 127.739 122.820 -0.038 0.000 2.281 129 A HA 0.329 4.613 4.320 -0.060 0.000 0.329 129 A C -0.780 176.754 177.584 -0.084 0.000 1.122 129 A CA -0.698 51.304 52.037 -0.058 0.000 0.850 129 A CB 1.521 20.490 19.000 -0.053 0.000 1.207 129 A HN 0.083 8.213 8.150 -0.033 0.000 0.495 130 L N 0.089 121.235 121.223 -0.128 0.000 2.426 130 L HA 0.045 4.286 4.340 -0.165 0.000 0.271 130 L C -0.208 176.582 176.870 -0.133 0.000 1.169 130 L CA -0.714 54.016 54.840 -0.183 0.000 0.836 130 L CB 0.515 42.372 42.059 -0.336 0.000 1.112 130 L HN 0.080 8.231 8.230 -0.131 0.000 0.465 131 V N 4.248 124.094 119.914 -0.113 0.000 2.334 131 V HA 0.008 4.086 4.120 -0.070 0.000 0.267 131 V C -0.692 175.354 176.094 -0.080 0.000 1.040 131 V CA -0.726 61.527 62.300 -0.078 0.000 0.866 131 V CB 0.539 32.329 31.823 -0.055 0.000 1.019 131 V HN 0.030 8.150 8.190 -0.117 0.000 0.468 132 D N 8.743 129.098 120.400 -0.076 0.000 2.488 132 D HA -0.293 4.299 4.640 -0.081 0.000 0.238 132 D C 1.131 177.403 176.300 -0.047 0.000 1.138 132 D CA 1.908 55.867 54.000 -0.067 0.000 0.873 132 D CB 0.253 41.018 40.800 -0.058 0.000 1.183 132 D HN 0.342 8.669 8.370 -0.072 0.000 0.458 133 G N 3.309 112.084 108.800 -0.042 0.000 2.268 133 G HA2 -0.476 3.464 3.960 -0.034 0.000 0.240 133 G HA3 -0.476 3.469 3.960 -0.025 0.000 0.240 133 G C -0.507 174.380 174.900 -0.023 0.000 1.010 133 G CA -0.156 44.926 45.100 -0.031 0.000 0.618 133 G HN 0.108 8.253 8.290 -0.045 0.118 0.516 134 K N 2.086 122.472 120.400 -0.023 0.000 2.382 134 K HA -0.026 4.286 4.320 -0.013 0.000 0.275 134 K C -0.828 175.768 176.600 -0.007 0.000 1.009 134 K CA 0.548 56.825 56.287 -0.016 0.000 0.970 134 K CB 0.903 33.387 32.500 -0.026 0.000 0.934 134 K HN -0.454 7.689 8.250 -0.033 0.087 0.479 135 I N 5.011 125.574 120.570 -0.012 0.000 2.304 135 I HA -0.008 4.322 4.170 -0.014 -0.168 0.291 135 I C -0.754 175.322 176.117 -0.068 0.000 1.018 135 I CA -0.006 61.284 61.300 -0.016 0.000 1.260 135 I CB 0.115 38.125 38.000 0.016 0.000 1.390 135 I HN 0.073 8.278 8.210 -0.008 0.000 0.475 136 c N 7.890 126.395 118.600 -0.158 0.000 2.803 136 c HA 0.390 4.807 4.570 -0.254 0.000 0.389 136 c C -1.512 172.336 174.090 -0.404 0.000 1.433 136 c CA -1.711 54.384 56.329 -0.390 0.000 1.714 136 c CB 3.672 45.704 42.510 -0.796 0.000 2.106 136 c HN 0.632 8.802 8.230 -0.100 0.000 0.480 137 T N 1.029 115.280 114.554 -0.504 0.000 2.856 137 T HA 0.857 5.243 4.350 -0.276 -0.202 0.283 137 T C -1.880 172.526 174.700 -0.490 0.000 1.008 137 T CA -0.352 61.494 62.100 -0.422 0.000 0.997 137 T CB 2.215 70.807 68.868 -0.460 0.000 0.992 137 T HN 0.535 8.438 8.240 -0.562 0.000 0.454 138 V N 5.490 125.225 119.914 -0.298 0.000 2.735 138 V HA 0.965 5.220 4.120 -0.127 -0.212 0.310 138 V C -2.295 173.661 176.094 -0.231 0.000 1.061 138 V CA -3.083 59.140 62.300 -0.128 0.000 0.913 138 V CB 4.024 35.942 31.823 0.158 0.000 1.005 138 V HN 0.766 8.815 8.190 -0.234 0.000 0.428 139 T N 3.803 118.221 114.554 -0.227 0.000 2.901 139 T HA 0.986 5.328 4.350 -0.294 -0.168 0.293 139 T C -1.341 173.245 174.700 -0.191 0.000 1.084 139 T CA -2.857 59.060 62.100 -0.306 0.000 1.008 139 T CB 3.044 71.587 68.868 -0.541 0.000 1.170 139 T HN -0.251 7.912 8.240 -0.129 0.000 0.509 140 G N -0.494 108.135 108.800 -0.285 0.000 2.321 140 G HA2 0.154 3.944 3.960 -0.283 0.000 0.298 140 G HA3 0.154 4.266 3.960 -0.024 -0.166 0.298 140 G C -2.299 172.428 174.900 -0.289 0.000 1.385 140 G CA 0.488 45.458 45.100 -0.218 0.000 0.856 140 G HN -0.100 7.973 8.290 -0.362 0.000 0.584 141 W N 0.413 121.673 121.300 -0.067 0.000 3.102 141 W HA 0.342 4.933 4.660 -0.114 0.000 0.401 141 W C -0.095 176.335 176.519 -0.150 0.000 1.070 141 W CA -0.854 56.380 57.345 -0.185 0.000 1.921 141 W CB 0.906 30.091 29.460 -0.459 0.000 1.118 141 W HN 0.608 8.958 8.180 0.284 0.000 0.647 142 G N 0.849 109.735 108.800 0.143 0.000 2.653 142 G HA2 -0.100 3.963 3.960 0.154 0.000 0.265 142 G HA3 -0.100 4.035 3.960 0.113 -0.107 0.265 142 G C -0.729 174.205 174.900 0.058 0.000 1.237 142 G CA -0.834 44.337 45.100 0.119 0.000 0.946 142 G HN -0.119 8.432 8.290 0.123 -0.186 0.522 143 N N -0.033 118.680 118.700 0.023 0.000 2.353 143 N HA -0.259 4.617 4.740 0.004 -0.133 0.248 143 N C 0.943 176.457 175.510 0.006 0.000 1.240 143 N CA 1.003 54.048 53.050 -0.008 0.000 0.862 143 N CB 0.126 38.565 38.487 -0.079 0.000 1.086 143 N HN 0.171 8.562 8.380 0.017 0.000 0.453 144 T N -4.600 109.963 114.554 0.015 0.000 3.107 144 T HA -0.026 4.487 4.350 0.023 -0.149 0.249 144 T C -0.468 174.250 174.700 0.031 0.000 1.096 144 T CA 0.105 62.219 62.100 0.023 0.000 1.012 144 T CB 1.202 70.085 68.868 0.026 0.000 0.977 144 T HN -0.158 8.091 8.240 0.015 0.000 0.527 145 Q N -2.245 117.571 119.800 0.027 0.000 2.386 145 Q HA 0.317 4.693 4.340 0.060 0.000 0.274 145 Q C -1.459 174.552 176.000 0.018 0.000 1.011 145 Q CA -0.840 54.993 55.803 0.050 0.000 0.867 145 Q CB 3.346 32.129 28.738 0.075 0.000 1.409 145 Q HN -0.653 7.542 8.270 0.009 0.080 0.395 146 Y N 5.970 126.209 120.300 -0.101 0.000 2.114 146 Y HA -0.334 4.121 4.550 -0.159 0.000 0.282 146 Y C 0.864 176.601 175.900 -0.272 0.000 1.165 146 Y CA 3.405 61.362 58.100 -0.238 0.000 1.148 146 Y CB 0.418 38.627 38.460 -0.418 0.000 0.972 146 Y HN 0.637 8.994 8.280 0.128 0.000 0.504 147 Y N -1.103 119.321 120.300 0.206 0.000 2.883 147 Y HA 0.086 4.669 4.550 0.056 0.000 0.385 147 Y C -0.618 175.309 175.900 0.045 0.000 1.067 147 Y CA -1.023 57.149 58.100 0.120 0.000 1.682 147 Y CB -0.627 37.929 38.460 0.160 0.000 1.606 147 Y HN -0.307 8.050 8.280 0.129 0.000 0.508 151 Q N -0.005 119.805 119.800 0.016 0.000 2.524 151 Q HA -0.213 4.261 4.340 0.039 -0.111 0.246 151 Q C -0.577 175.449 176.000 0.044 0.000 1.063 151 Q CA 0.509 56.331 55.803 0.033 0.000 0.945 151 Q CB 0.731 29.486 28.738 0.028 0.000 1.292 151 Q HN 0.150 8.426 8.270 0.011 0.000 0.518 152 A N 1.339 124.206 122.820 0.078 0.000 2.354 152 A HA 0.124 4.485 4.320 0.067 0.000 0.269 152 A C -0.235 177.446 177.584 0.161 0.000 1.109 152 A CA -0.104 51.994 52.037 0.101 0.000 0.800 152 A CB 0.932 19.984 19.000 0.087 0.000 1.045 152 A HN -0.059 8.031 8.150 0.091 0.114 0.489 153 G N 0.896 109.769 108.800 0.122 0.000 2.453 153 G HA2 -0.008 3.992 3.960 0.067 0.000 0.215 153 G HA3 -0.008 3.996 3.960 0.072 0.000 0.215 153 G C -1.343 173.686 174.900 0.215 0.000 1.147 153 G CA 0.884 46.052 45.100 0.113 0.000 0.802 153 G HN 0.581 8.924 8.290 0.088 0.000 0.535 154 V N -1.262 118.776 119.914 0.207 0.000 2.680 154 V HA 0.522 5.033 4.120 0.307 -0.207 0.309 154 V C -0.068 176.075 176.094 0.081 0.000 1.052 154 V CA -1.380 61.041 62.300 0.201 0.000 0.908 154 V CB 3.295 35.177 31.823 0.097 0.000 1.001 154 V HN -0.847 7.430 8.190 0.146 0.000 0.431 155 L N 7.153 128.329 121.223 -0.079 0.000 2.559 155 L HA -0.138 3.488 4.340 -1.190 0.000 0.282 155 L C -1.357 175.344 176.870 -0.281 0.000 1.232 155 L CA 1.140 55.606 54.840 -0.623 0.000 0.885 155 L CB 0.659 42.325 42.059 -0.654 0.000 1.131 155 L HN 0.459 8.664 8.230 0.146 0.113 0.498 156 Q N 3.952 123.573 119.800 -0.299 0.000 2.301 156 Q HA 0.742 5.222 4.340 -0.086 -0.191 0.267 156 Q C -0.662 175.234 176.000 -0.173 0.000 1.035 156 Q CA -2.262 53.452 55.803 -0.148 0.000 0.856 156 Q CB 3.185 31.867 28.738 -0.093 0.000 1.337 156 Q HN 0.249 8.260 8.270 -0.431 0.000 0.450 157 E N -0.979 119.161 120.200 -0.100 0.000 2.317 157 E HA 0.923 5.307 4.350 -0.257 -0.188 0.270 157 E C -2.134 174.430 176.600 -0.061 0.000 0.885 157 E CA -2.099 54.212 56.400 -0.147 0.000 0.760 157 E CB 4.454 34.114 29.700 -0.068 0.000 1.227 157 E HN 0.442 8.775 8.360 -0.044 0.000 0.434 158 A N 1.360 124.135 122.820 -0.075 0.000 2.572 158 A HA 0.503 4.840 4.320 0.029 0.000 0.295 158 A C -2.631 174.954 177.584 0.001 0.000 1.072 158 A CA -0.659 51.382 52.037 0.006 0.000 0.691 158 A CB 3.998 23.026 19.000 0.047 0.000 1.291 158 A HN 0.670 8.729 8.150 -0.152 0.000 0.404 159 R N 1.163 121.703 120.500 0.067 0.000 2.445 159 R HA 0.968 5.512 4.340 -0.019 -0.216 0.308 159 R C -0.838 175.560 176.300 0.164 0.000 0.961 159 R CA -1.097 55.042 56.100 0.066 0.000 0.862 159 R CB 1.808 32.161 30.300 0.088 0.000 1.144 159 R HN 0.372 8.702 8.270 0.100 0.000 0.447 160 V N -1.458 118.504 119.914 0.080 0.000 2.888 160 V HA 0.550 4.612 4.120 -0.097 0.000 0.309 160 V C -2.871 173.187 176.094 -0.059 0.000 1.114 160 V CA -3.976 58.319 62.300 -0.009 0.000 0.940 160 V CB 3.329 35.202 31.823 0.083 0.000 1.021 160 V HN 0.551 8.744 8.190 0.006 0.000 0.426 161 P HA 0.554 5.194 4.420 -0.022 -0.233 0.281 161 P C -0.561 176.717 177.300 -0.036 0.000 1.249 161 P CA -1.646 61.388 63.100 -0.111 0.000 0.810 161 P CB 1.307 32.903 31.700 -0.174 0.000 1.008 162 I N 0.114 120.698 120.570 0.024 0.000 2.575 162 I HA -0.032 4.291 4.170 0.061 -0.116 0.285 162 I C 0.334 176.437 176.117 -0.023 0.000 1.085 162 I CA 0.721 62.034 61.300 0.021 0.000 1.403 162 I CB 0.670 38.645 38.000 -0.041 0.000 1.409 162 I HN -0.029 8.194 8.210 0.022 0.000 0.557 163 I N 6.402 126.968 120.570 -0.007 0.000 2.562 163 I HA 0.188 4.322 4.170 -0.061 0.000 0.301 163 I C -0.699 175.390 176.117 -0.046 0.000 1.003 163 I CA -1.745 59.529 61.300 -0.044 0.000 1.127 163 I CB 2.684 40.657 38.000 -0.046 0.000 1.304 163 I HN 0.507 8.744 8.210 0.044 0.000 0.446 164 S N 2.768 118.421 115.700 -0.078 0.000 2.592 164 S HA 0.098 4.660 4.470 -0.049 -0.122 0.271 164 S C 1.014 175.571 174.600 -0.071 0.000 1.326 164 S CA -0.371 57.789 58.200 -0.067 0.000 1.024 164 S CB 1.111 64.269 63.200 -0.071 0.000 0.921 164 S HN -0.045 8.207 8.310 -0.097 0.000 0.527 165 N N 2.822 121.500 118.700 -0.037 0.000 2.289 165 N HA -0.289 4.444 4.740 -0.013 0.000 0.184 165 N C 1.308 176.792 175.510 -0.043 0.000 1.016 165 N CA 3.754 56.791 53.050 -0.022 0.000 0.872 165 N CB -0.297 38.192 38.487 0.004 0.000 0.973 165 N HN 0.519 8.882 8.380 -0.029 0.000 0.433 166 D N -3.086 117.281 120.400 -0.056 0.000 2.117 166 D HA -0.240 4.378 4.640 -0.036 0.000 0.197 166 D C 1.017 177.254 176.300 -0.106 0.000 0.987 166 D CA 2.844 56.809 54.000 -0.059 0.000 0.829 166 D CB -0.569 40.200 40.800 -0.052 0.000 0.961 166 D HN 0.217 8.528 8.370 -0.053 0.026 0.460 167 V N -0.739 119.068 119.914 -0.178 0.000 2.255 167 V HA -0.444 3.498 4.120 -0.297 0.000 0.243 167 V C 1.331 177.129 176.094 -0.492 0.000 1.038 167 V CA 3.273 65.358 62.300 -0.359 0.000 1.008 167 V CB 0.370 31.947 31.823 -0.411 0.000 0.645 167 V HN -0.786 7.230 8.190 -0.154 0.082 0.449 168 c N 0.279 118.669 118.600 -0.351 0.000 2.411 168 c HA -0.412 3.991 4.570 -0.279 0.000 0.279 168 c C 1.152 175.285 174.090 0.072 0.000 1.288 168 c CA 3.604 59.846 56.329 -0.144 0.000 1.764 168 c CB -1.965 40.553 42.510 0.013 0.000 1.974 168 c HN 0.406 8.480 8.230 -0.260 0.000 0.498 169 N N -3.011 115.709 118.700 0.034 0.000 2.398 169 N HA -0.005 4.836 4.740 0.168 0.000 0.188 169 N C 0.270 175.835 175.510 0.091 0.000 1.122 169 N CA 0.554 53.663 53.050 0.098 0.000 0.866 169 N CB 0.110 38.634 38.487 0.062 0.000 0.970 169 N HN 0.090 8.332 8.380 -0.027 0.122 0.462 170 G N -0.263 108.577 108.800 0.066 0.000 2.527 170 G HA2 0.079 4.075 3.960 0.061 0.000 0.248 170 G HA3 0.079 4.085 3.960 0.076 0.000 0.248 170 G C -0.579 174.407 174.900 0.143 0.000 1.231 170 G CA -0.493 44.659 45.100 0.087 0.000 0.838 170 G HN -0.182 7.919 8.290 0.002 0.189 0.570 171 A N 1.859 124.741 122.820 0.102 0.000 2.042 171 A HA -0.343 4.024 4.320 0.079 0.000 0.222 171 A C 0.284 177.915 177.584 0.079 0.000 1.167 171 A CA 2.583 54.669 52.037 0.082 0.000 0.649 171 A CB -0.207 18.825 19.000 0.053 0.000 0.809 171 A HN 0.489 8.686 8.150 0.079 0.000 0.457 172 D N -2.668 117.808 120.400 0.126 0.000 2.349 172 D HA 0.007 4.635 4.640 -0.021 0.000 0.215 172 D C 0.099 176.364 176.300 -0.057 0.000 1.016 172 D CA 0.541 54.571 54.000 0.049 0.000 0.870 172 D CB -0.120 40.724 40.800 0.073 0.000 0.917 172 D HN -0.020 8.413 8.370 0.175 0.042 0.524 173 F N 0.334 120.226 119.950 -0.096 0.000 2.243 173 F HA 0.511 5.108 4.527 -0.290 -0.244 0.205 173 F C -0.393 175.233 175.800 -0.289 0.000 1.141 173 F CA 0.869 58.743 58.000 -0.208 0.000 1.193 173 F CB 1.742 40.689 39.000 -0.089 0.000 1.576 173 F HN -0.173 8.147 8.300 0.329 0.177 0.484 174 Y N -3.937 116.519 120.300 0.259 0.000 3.113 174 Y HA -0.182 4.460 4.550 0.154 0.000 0.327 174 Y C 0.513 176.498 175.900 0.142 0.000 1.171 174 Y CA 1.695 59.900 58.100 0.175 0.000 1.200 174 Y CB 2.101 40.671 38.460 0.182 0.000 1.110 174 Y HN -0.161 8.365 8.280 0.410 0.000 0.794 175 Q N -6.846 113.056 119.800 0.170 0.000 2.523 175 Q HA -0.244 4.156 4.340 0.100 0.000 0.158 175 Q C -0.747 175.367 176.000 0.190 0.000 0.566 175 Q CA 0.954 56.860 55.803 0.171 0.000 1.297 175 Q CB -0.607 28.286 28.738 0.258 0.000 0.964 175 Q HN 0.007 8.416 8.270 0.224 -0.004 1.099 176 I N -0.082 120.581 120.570 0.155 0.000 2.301 176 I HA -0.065 4.187 4.170 0.137 0.000 0.292 176 I C -0.305 175.861 176.117 0.082 0.000 1.046 176 I CA -2.068 59.297 61.300 0.108 0.000 1.282 176 I CB -1.640 36.396 38.000 0.061 0.000 1.409 176 I HN -0.076 8.555 8.210 0.152 -0.330 0.484 177 K N 7.398 127.849 120.400 0.085 0.000 2.098 177 K HA 0.237 4.585 4.320 0.046 0.000 0.244 177 K C -1.181 175.452 176.600 0.055 0.000 1.014 177 K CA -2.822 53.499 56.287 0.058 0.000 0.917 177 K CB -0.786 31.744 32.500 0.051 0.000 1.072 177 K HN -0.509 7.809 8.250 0.113 0.000 0.477 178 P HA -0.164 4.275 4.420 0.031 0.000 0.220 178 P C -0.619 176.706 177.300 0.042 0.000 1.148 178 P CA 2.116 65.233 63.100 0.028 0.000 0.803 178 P CB 0.304 32.007 31.700 0.004 0.000 0.782 179 K N -4.035 116.400 120.400 0.058 0.000 2.684 179 K HA 0.313 4.869 4.320 0.066 -0.197 0.215 179 K C -0.955 175.764 176.600 0.197 0.000 1.073 179 K CA -1.128 55.221 56.287 0.103 0.000 1.197 179 K CB -0.946 31.607 32.500 0.089 0.000 0.955 179 K HN 0.139 8.391 8.250 0.055 0.030 0.473 180 M N -3.172 116.521 119.600 0.156 0.000 2.622 180 M HA 0.772 5.463 4.480 0.146 -0.124 0.276 180 M C -2.151 174.243 176.300 0.156 0.000 1.265 180 M CA -0.641 54.729 55.300 0.117 0.000 0.850 180 M CB 4.206 36.831 32.600 0.042 0.000 1.720 180 M HN -0.676 7.597 8.290 0.124 0.092 0.465 181 F N -6.948 112.966 119.950 -0.061 0.000 2.685 181 F HA 0.672 5.149 4.527 -0.084 0.000 0.315 181 F C -2.550 173.180 175.800 -0.116 0.000 1.126 181 F CA -2.255 55.686 58.000 -0.099 0.000 0.950 181 F CB 2.430 41.353 39.000 -0.129 0.000 1.360 181 F HN 0.251 8.335 8.300 -0.361 0.000 0.469 182 c N -1.413 117.201 118.600 0.022 0.000 2.454 182 c HA 1.051 5.730 4.570 -0.162 -0.207 0.336 182 c C -1.295 172.817 174.090 0.037 0.000 1.189 182 c CA -1.780 54.520 56.329 -0.049 0.000 1.877 182 c CB 3.190 45.707 42.510 0.011 0.000 2.348 182 c HN 0.732 9.063 8.230 0.168 0.000 0.508 183 A N 1.470 124.297 122.820 0.012 0.000 2.429 183 A HA 0.800 5.273 4.320 -0.001 -0.154 0.289 183 A C -2.435 175.181 177.584 0.053 0.000 1.043 183 A CA -0.560 51.468 52.037 -0.016 0.000 0.722 183 A CB 3.068 21.923 19.000 -0.242 0.000 1.243 183 A HN 0.632 8.826 8.150 0.074 0.000 0.415 184 Y N 2.467 122.834 120.300 0.111 0.000 2.323 184 Y HA 0.145 4.756 4.550 0.103 0.000 0.331 184 Y C -1.353 174.617 175.900 0.116 0.000 1.092 184 Y CA -2.326 55.834 58.100 0.100 0.000 1.150 184 Y CB 0.917 39.419 38.460 0.069 0.000 1.200 184 Y HN 0.340 8.806 8.280 0.310 0.000 0.472 185 P HA -0.160 4.429 4.420 0.281 0.000 0.303 185 P C -0.918 176.440 177.300 0.096 0.000 1.438 185 P CA 0.803 64.041 63.100 0.230 0.000 0.737 185 P CB -1.777 30.085 31.700 0.269 0.000 1.402 190 A N -1.142 121.741 122.820 0.106 0.000 2.246 190 A HA 0.210 4.575 4.320 0.075 0.000 0.291 190 A C -1.775 175.835 177.584 0.043 0.000 1.103 190 A CA -0.699 51.381 52.037 0.072 0.000 0.844 190 A CB 1.817 20.847 19.000 0.051 0.000 1.136 190 A HN 0.301 8.520 8.150 0.116 0.000 0.500 191 c N -3.235 115.387 118.600 0.036 0.000 3.293 191 c HA 0.262 4.860 4.570 0.046 0.000 0.362 191 c C -1.549 172.554 174.090 0.022 0.000 1.539 191 c CA -0.755 55.593 56.329 0.032 0.000 1.201 191 c CB 3.431 45.955 42.510 0.024 0.000 1.770 191 c HN 0.062 8.580 8.230 0.040 -0.264 0.440 192 Q N 1.950 121.739 119.800 -0.019 0.000 2.269 192 Q HA -0.282 4.068 4.340 0.017 0.000 0.300 192 Q C 0.758 176.776 176.000 0.030 0.000 1.070 192 Q CA 2.200 57.989 55.803 -0.024 0.000 0.957 192 Q CB 0.626 29.275 28.738 -0.149 0.000 1.131 192 Q HN 0.627 8.865 8.270 -0.053 0.000 0.377 193 G N 6.510 115.358 108.800 0.079 0.000 2.213 193 G HA2 -0.409 3.797 3.960 0.153 0.000 0.226 193 G HA3 -0.409 3.685 3.960 0.223 0.000 0.226 193 G C 0.238 175.299 174.900 0.269 0.000 0.992 193 G CA 0.898 46.111 45.100 0.189 0.000 0.632 193 G HN 0.776 9.105 8.290 0.065 0.000 0.511 194 D N 0.439 120.933 120.400 0.158 0.000 2.367 194 D HA 0.148 4.922 4.640 0.222 0.000 0.207 194 D C 0.011 176.371 176.300 0.101 0.000 1.034 194 D CA 0.387 54.477 54.000 0.150 0.000 0.861 194 D CB 0.716 41.570 40.800 0.090 0.000 0.943 194 D HN 0.175 8.527 8.370 0.105 0.082 0.515 195 S N -0.565 115.175 115.700 0.066 0.000 2.573 195 S HA -0.497 4.117 4.470 0.019 -0.133 0.297 195 S C 0.886 175.453 174.600 -0.056 0.000 1.280 195 S CA 3.310 61.517 58.200 0.011 0.000 1.061 195 S CB 0.004 63.225 63.200 0.034 0.000 0.812 195 S HN -0.381 7.933 8.310 0.082 0.045 0.500 196 G N 5.086 113.846 108.800 -0.066 0.000 2.268 196 G HA2 -0.433 3.569 3.960 -0.058 0.000 0.240 196 G HA3 -0.433 3.607 3.960 -0.054 -0.112 0.240 196 G C -0.161 174.784 174.900 0.076 0.000 1.010 196 G CA 0.213 45.294 45.100 -0.031 0.000 0.618 196 G HN 0.911 9.059 8.290 -0.058 0.107 0.516 197 G N 0.908 109.775 108.800 0.112 0.000 2.563 197 G HA2 0.403 4.538 3.960 0.189 0.000 0.283 197 G HA3 0.403 4.463 3.960 0.167 0.000 0.283 197 G C -2.710 172.302 174.900 0.187 0.000 1.309 197 G CA -1.961 43.238 45.100 0.165 0.000 1.022 197 G HN -0.403 7.852 8.290 0.091 0.090 0.501 198 P HA 0.264 4.814 4.420 0.215 0.000 0.284 198 P C -2.033 175.391 177.300 0.206 0.000 1.253 198 P CA -0.852 62.371 63.100 0.205 0.000 0.800 198 P CB 1.287 33.126 31.700 0.232 0.000 0.961 199 F N 4.395 124.382 119.950 0.062 0.000 2.513 199 F HA 0.644 5.310 4.527 -0.067 -0.180 0.358 199 F C -2.421 173.366 175.800 -0.021 0.000 1.118 199 F CA -2.095 55.890 58.000 -0.024 0.000 1.037 199 F CB 2.798 41.740 39.000 -0.097 0.000 1.276 199 F HN -0.327 8.146 8.300 0.288 0.000 0.446 200 V N 3.456 123.137 119.914 -0.388 0.000 2.628 200 V HA 0.950 5.156 4.120 -0.151 -0.176 0.306 200 V C -1.996 173.904 176.094 -0.323 0.000 1.045 200 V CA -3.150 59.000 62.300 -0.250 0.000 0.905 200 V CB 2.609 34.378 31.823 -0.091 0.000 0.997 200 V HN 0.686 8.578 8.190 -0.496 0.000 0.436 201 c N 4.813 123.301 118.600 -0.187 0.000 2.507 201 c HA 0.383 4.859 4.570 -0.156 0.000 0.319 201 c C -1.071 172.987 174.090 -0.054 0.000 1.208 201 c CA -0.542 55.707 56.329 -0.133 0.000 1.619 201 c CB 2.790 45.236 42.510 -0.107 0.000 2.230 201 c HN 0.455 8.605 8.230 -0.134 0.000 0.492 202 E N 2.786 122.977 120.200 -0.015 0.000 2.191 202 E HA 0.153 4.721 4.350 0.006 -0.215 0.278 202 E C -1.564 175.035 176.600 -0.001 0.000 0.972 202 E CA -0.770 55.637 56.400 0.012 0.000 0.804 202 E CB 1.975 31.707 29.700 0.052 0.000 1.110 202 E HN 0.403 8.752 8.360 -0.018 0.000 0.394 203 D N 4.003 124.401 120.400 -0.003 0.000 2.596 203 D HA 0.198 4.837 4.640 -0.003 0.000 0.262 203 D C -1.297 175.003 176.300 0.000 0.000 1.210 203 D CA -1.127 52.870 54.000 -0.005 0.000 0.873 203 D CB 2.440 43.232 40.800 -0.012 0.000 1.408 203 D HN -0.048 8.321 8.370 -0.002 0.000 0.441 204 S N -1.392 114.308 115.700 0.000 0.000 2.711 204 S HA 0.380 4.982 4.470 0.004 -0.130 0.247 204 S C 1.034 175.634 174.600 0.000 0.000 1.079 204 S CA -0.562 57.639 58.200 0.002 0.000 1.050 204 S CB 0.122 63.324 63.200 0.004 0.000 0.885 204 S HN 0.231 8.540 8.310 -0.002 0.000 0.498 205 I N -2.401 118.168 120.570 -0.002 0.000 2.756 205 I HA -0.124 4.044 4.170 -0.002 0.000 0.262 205 I C 0.017 176.134 176.117 -0.000 0.000 1.225 205 I CA 2.349 63.648 61.300 -0.002 0.000 1.472 205 I CB -0.227 37.771 38.000 -0.004 0.000 1.094 205 I HN -0.498 7.949 8.210 -0.003 -0.239 0.454 206 S N -0.924 114.777 115.700 0.001 0.000 2.614 206 S HA 0.002 4.474 4.470 0.002 0.000 0.230 206 S C -0.238 174.364 174.600 0.003 0.000 0.952 206 S CA -0.484 57.718 58.200 0.003 0.000 0.949 206 S CB 1.145 64.347 63.200 0.005 0.000 0.786 206 S HN -0.340 7.932 8.310 0.001 0.039 0.478 207 R N -2.554 117.947 120.500 0.003 0.000 3.872 207 R HA -0.407 3.995 4.340 0.002 -0.060 0.341 207 R C -1.508 174.795 176.300 0.005 0.000 1.172 207 R CA 1.348 57.450 56.100 0.003 0.000 0.901 207 R CB -2.041 28.261 30.300 0.002 0.000 1.422 207 R HN -0.198 7.857 8.270 0.002 0.216 0.523 208 R N -6.892 113.500 120.500 -0.180 0.000 4.162 208 R HA 0.030 4.397 4.340 -0.212 -0.155 0.260 208 R C -2.527 173.684 176.300 -0.148 0.000 0.964 208 R CA -0.435 55.566 56.100 -0.165 0.000 1.072 208 R CB 1.625 31.880 30.300 -0.076 0.000 1.259 208 R HN -0.049 8.147 8.270 -0.123 0.000 0.593 209 L N 2.542 123.692 121.223 -0.122 0.000 2.334 209 L HA 0.203 4.640 4.340 -0.034 -0.118 0.286 209 L C -0.537 176.372 176.870 0.065 0.000 1.108 209 L CA -0.409 54.412 54.840 -0.032 0.000 0.875 209 L CB -0.009 42.033 42.059 -0.028 0.000 1.246 209 L HN 0.531 8.685 8.230 -0.127 0.000 0.439 210 C N 5.776 125.161 119.300 0.142 0.000 2.551 210 C HA 0.175 4.700 4.460 0.107 0.000 0.277 210 C C -0.269 174.936 174.990 0.359 0.000 1.349 210 C CA 0.626 59.760 59.018 0.193 0.000 1.750 210 C CB 0.984 28.824 27.740 0.166 0.000 2.058 210 C HN 0.219 8.531 8.230 0.137 0.000 0.518 211 G N -2.434 106.662 108.800 0.494 0.000 2.690 211 G HA2 0.564 5.025 3.960 0.455 0.000 0.291 211 G HA3 0.564 4.806 3.960 0.468 0.000 0.291 211 G C -3.324 171.784 174.900 0.347 0.000 1.403 211 G CA -0.485 44.897 45.100 0.470 0.000 0.864 211 G HN -0.410 8.171 8.290 0.486 0.000 0.480 212 I N -0.795 119.924 120.570 0.247 0.000 2.436 212 I HA 0.518 5.003 4.170 0.207 -0.190 0.289 212 I C -0.389 175.794 176.117 0.110 0.000 1.010 212 I CA -1.349 60.051 61.300 0.166 0.000 1.098 212 I CB 3.862 41.888 38.000 0.044 0.000 1.266 212 I HN -0.320 8.002 8.210 0.187 0.000 0.434 213 V N 8.828 128.806 119.914 0.108 0.000 2.475 213 V HA -0.243 3.476 4.120 -0.668 0.000 0.292 213 V C -0.758 175.221 176.094 -0.192 0.000 1.003 213 V CA 2.290 64.477 62.300 -0.188 0.000 1.120 213 V CB -1.010 30.794 31.823 -0.032 0.000 0.937 213 V HN 0.577 8.875 8.190 0.180 0.000 0.476 214 S N 8.007 123.504 115.700 -0.338 0.000 2.979 214 S HA 0.287 4.823 4.470 0.111 0.000 0.243 214 S C -1.353 173.306 174.600 0.098 0.000 1.036 214 S CA 0.526 58.704 58.200 -0.037 0.000 0.846 214 S CB 2.599 65.781 63.200 -0.030 0.000 0.806 214 S HN 0.095 7.979 8.310 -0.710 0.000 0.568 215 W N -3.630 117.490 121.300 -0.301 0.000 2.826 215 W HA 0.236 4.781 4.660 -0.191 0.000 0.410 215 W C -2.877 173.491 176.519 -0.252 0.000 1.128 215 W CA -0.573 56.622 57.345 -0.249 0.000 1.176 215 W CB 1.873 31.181 29.460 -0.254 0.000 1.475 215 W HN -0.170 7.651 8.180 -0.599 0.000 0.588 216 G N -2.660 106.229 108.800 0.149 0.000 2.387 216 G HA2 0.236 4.039 3.960 -0.262 0.000 0.294 216 G HA3 0.236 4.170 3.960 -0.043 0.000 0.294 216 G C -2.123 172.954 174.900 0.294 0.000 1.509 216 G CA 0.330 45.451 45.100 0.035 0.000 0.806 216 G HN 0.071 8.614 8.290 0.423 0.000 0.546 220 c N 2.189 120.833 118.600 0.073 0.000 3.421 220 c HA 0.258 5.015 4.570 0.091 -0.132 0.194 220 c C -1.776 172.350 174.090 0.060 0.000 1.418 220 c CA -0.623 55.769 56.329 0.104 0.000 1.226 220 c CB -1.386 41.214 42.510 0.150 0.000 1.875 220 c HN 0.029 8.252 8.230 -0.012 0.000 0.561 221 L N -0.139 121.083 121.223 -0.003 0.000 3.150 221 L HA 0.072 4.391 4.340 -0.035 0.000 0.231 221 L C -1.958 174.874 176.870 -0.063 0.000 0.994 221 L CA 0.117 54.931 54.840 -0.043 0.000 1.050 221 L CB 2.452 44.464 42.059 -0.078 0.000 1.506 221 L HN 0.262 8.494 8.230 0.002 0.000 0.420 222 A N -0.809 121.960 122.820 -0.086 0.000 2.407 222 A HA 0.033 4.392 4.320 -0.065 -0.077 0.248 222 A C 0.170 177.599 177.584 -0.258 0.000 1.082 222 A CA 1.018 52.984 52.037 -0.118 0.000 0.785 222 A CB 0.405 19.343 19.000 -0.103 0.000 1.020 222 A HN 0.237 8.341 8.150 -0.077 0.000 0.489 223 Q N -3.338 116.223 119.800 -0.397 0.000 2.452 223 Q HA -0.473 2.941 4.340 -1.543 0.000 0.248 223 Q C -0.923 174.635 176.000 -0.736 0.000 0.874 223 Q CA 1.688 56.922 55.803 -0.949 0.000 1.208 223 Q CB -1.635 26.525 28.738 -0.964 0.000 1.569 223 Q HN 0.312 8.318 8.270 -0.258 0.109 0.579 224 K N -2.800 117.371 120.400 -0.382 0.000 3.029 224 K HA 0.540 4.348 4.320 -0.853 0.000 0.169 224 K C -2.453 174.161 176.600 0.024 0.000 1.090 224 K CA -2.849 53.219 56.287 -0.365 0.000 0.883 224 K CB 0.427 32.775 32.500 -0.253 0.000 1.080 224 K HN -0.796 7.243 8.250 -0.246 0.063 0.613 225 P HA -0.013 4.492 4.420 0.143 0.000 0.273 225 P C -0.383 176.996 177.300 0.131 0.000 1.250 225 P CA -0.335 62.883 63.100 0.196 0.000 0.793 225 P CB 1.159 33.002 31.700 0.238 0.000 1.011 226 G N -2.097 106.723 108.800 0.034 0.000 2.503 226 G HA2 0.309 4.183 3.960 -0.290 0.000 0.257 226 G HA3 0.309 4.222 3.960 -0.209 -0.079 0.257 226 G C -1.806 172.833 174.900 -0.436 0.000 1.214 226 G CA -0.665 44.300 45.100 -0.225 0.000 0.839 226 G HN -0.351 8.004 8.290 0.108 0.000 0.559 227 V N 1.983 121.335 119.914 -0.935 0.000 2.513 227 V HA 0.763 4.649 4.120 -0.693 -0.183 0.299 227 V C -1.041 174.367 176.094 -1.143 0.000 1.035 227 V CA -1.127 60.543 62.300 -1.051 0.000 0.889 227 V CB 1.911 32.669 31.823 -1.774 0.000 0.988 227 V HN 0.529 8.114 8.190 -1.009 0.000 0.440 228 Y N 3.965 123.718 120.300 -0.912 0.000 2.536 228 Y HA 0.612 4.993 4.550 -0.521 -0.144 0.347 228 Y C 0.272 175.830 175.900 -0.569 0.000 1.000 228 Y CA -2.268 55.335 58.100 -0.829 0.000 1.051 228 Y CB 4.082 41.711 38.460 -1.385 0.000 1.259 228 Y HN 1.148 8.877 8.280 -0.741 0.106 0.468 229 T N 4.356 118.830 114.554 -0.134 0.000 2.869 229 T HA 0.031 4.401 4.350 0.034 0.000 0.295 229 T C -1.198 173.630 174.700 0.213 0.000 0.987 229 T CA 1.223 63.328 62.100 0.009 0.000 1.109 229 T CB 0.798 69.607 68.868 -0.099 0.000 0.932 229 T HN 0.477 8.653 8.240 -0.107 0.000 0.518 230 K N 7.352 127.977 120.400 0.375 0.000 2.250 230 K HA 0.143 4.967 4.320 0.616 -0.134 0.280 230 K C 1.224 178.066 176.600 0.404 0.000 1.098 230 K CA -0.852 55.707 56.287 0.452 0.000 0.916 230 K CB 0.544 33.248 32.500 0.339 0.000 1.209 230 K HN 0.055 8.432 8.250 0.369 0.094 0.461 231 V N 7.424 127.536 119.914 0.330 0.000 2.392 231 V HA -0.567 3.776 4.120 0.373 0.000 0.249 231 V C 1.396 177.628 176.094 0.230 0.000 1.059 231 V CA 3.905 66.379 62.300 0.290 0.000 1.051 231 V CB -0.188 31.744 31.823 0.182 0.000 0.658 231 V HN 0.147 8.537 8.190 0.333 0.000 0.455 232 S N -0.889 114.888 115.700 0.129 0.000 2.387 232 S HA -0.362 4.140 4.470 0.052 0.000 0.230 232 S C 1.682 176.287 174.600 0.009 0.000 1.035 232 S CA 3.235 61.467 58.200 0.054 0.000 1.014 232 S CB -0.626 62.581 63.200 0.012 0.000 0.836 232 S HN 0.340 8.720 8.310 0.118 0.000 0.466 233 D N 1.937 122.308 120.400 -0.049 0.000 2.371 233 D HA -0.115 4.394 4.640 -0.218 0.000 0.221 233 D C 0.643 176.607 176.300 -0.560 0.000 0.986 233 D CA 1.932 55.737 54.000 -0.324 0.000 0.899 233 D CB -0.210 40.295 40.800 -0.492 0.000 0.902 233 D HN -0.443 7.927 8.370 0.038 0.023 0.530 234 F N -2.935 117.046 119.950 0.051 0.000 2.688 234 F HA 0.250 4.871 4.527 0.156 0.000 0.310 234 F C 0.073 175.938 175.800 0.109 0.000 1.098 234 F CA -0.780 57.287 58.000 0.112 0.000 1.228 234 F CB 0.264 39.308 39.000 0.075 0.000 1.042 234 F HN -0.118 8.089 8.300 0.168 0.194 0.557 235 R N 0.901 121.467 120.500 0.110 0.000 2.115 235 R HA -0.507 3.675 4.340 -0.263 0.000 0.239 235 R C 1.560 177.795 176.300 -0.109 0.000 1.133 235 R CA 4.876 60.922 56.100 -0.089 0.000 0.935 235 R CB -0.554 29.763 30.300 0.028 0.000 0.853 235 R HN -0.832 7.424 8.270 0.079 0.061 0.433 236 E N -2.453 117.823 120.200 0.127 0.000 2.153 236 E HA -0.236 4.324 4.350 0.351 0.000 0.194 236 E C 1.718 178.418 176.600 0.166 0.000 0.988 236 E CA 2.892 59.416 56.400 0.206 0.000 0.811 236 E CB -1.019 28.783 29.700 0.171 0.000 0.746 236 E HN 0.329 8.763 8.360 0.124 0.000 0.466 237 W N -0.587 120.737 121.300 0.041 0.000 2.358 237 W HA -0.258 4.421 4.660 0.031 0.000 0.303 237 W C 1.651 178.151 176.519 -0.032 0.000 1.208 237 W CA 3.233 60.606 57.345 0.047 0.000 1.274 237 W CB 0.191 29.764 29.460 0.188 0.000 1.138 237 W HN -0.443 7.851 8.180 0.360 0.102 0.515 238 I N -1.050 119.551 120.570 0.052 0.000 2.142 238 I HA -0.670 3.248 4.170 -0.420 0.000 0.240 238 I C 1.998 177.893 176.117 -0.370 0.000 1.078 238 I CA 4.531 65.670 61.300 -0.267 0.000 1.343 238 I CB -0.173 37.688 38.000 -0.231 0.000 1.046 238 I HN 0.136 8.494 8.210 0.247 0.000 0.405 239 F N -1.812 118.054 119.950 -0.141 0.000 2.126 239 F HA -0.462 3.942 4.527 -0.205 0.000 0.299 239 F C 2.321 177.984 175.800 -0.229 0.000 1.096 239 F CA 2.958 60.855 58.000 -0.172 0.000 1.255 239 F CB -1.230 37.716 39.000 -0.090 0.000 0.997 239 F HN -0.088 7.943 8.300 -0.449 0.000 0.479 240 Q N -0.021 119.750 119.800 -0.048 0.000 1.993 240 Q HA -0.494 3.789 4.340 -0.095 0.000 0.202 240 Q C 1.966 177.802 176.000 -0.274 0.000 0.984 240 Q CA 3.360 59.074 55.803 -0.147 0.000 0.837 240 Q CB 0.132 28.783 28.738 -0.145 0.000 0.902 240 Q HN 0.007 8.268 8.270 -0.010 0.003 0.423 241 A N 0.108 122.658 122.820 -0.450 0.000 1.903 241 A HA -0.312 4.113 4.320 -0.175 -0.210 0.219 241 A C 2.440 179.811 177.584 -0.355 0.000 1.191 241 A CA 3.065 54.844 52.037 -0.431 0.000 0.638 241 A CB -0.809 17.665 19.000 -0.877 0.000 0.823 241 A HN 0.081 7.848 8.150 -0.568 0.043 0.451 242 I N -2.545 117.689 120.570 -0.561 0.000 2.179 242 I HA -0.641 2.913 4.170 -1.026 0.000 0.242 242 I C 2.132 178.090 176.117 -0.265 0.000 1.088 242 I CA 4.033 64.914 61.300 -0.698 0.000 1.357 242 I CB -0.317 37.169 38.000 -0.857 0.000 1.051 242 I HN -0.259 7.612 8.210 -0.552 0.008 0.409 243 K N 0.023 120.300 120.400 -0.205 0.000 1.978 243 K HA -0.397 3.876 4.320 -0.079 0.000 0.214 243 K C 2.697 179.210 176.600 -0.146 0.000 1.049 243 K CA 3.663 59.876 56.287 -0.124 0.000 0.939 243 K CB -0.179 32.255 32.500 -0.108 0.000 0.721 243 K HN -0.605 7.512 8.250 -0.221 0.000 0.441 244 T N 0.108 114.520 114.554 -0.236 0.000 2.620 244 T HA -0.350 3.810 4.350 -0.316 0.000 0.267 244 T C 2.031 176.430 174.700 -0.502 0.000 1.044 244 T CA 3.989 65.836 62.100 -0.421 0.000 1.161 244 T CB 0.035 68.537 68.868 -0.612 0.000 0.862 244 T HN 0.157 8.258 8.240 -0.231 0.000 0.438 245 H N -2.333 116.709 119.070 -0.047 0.000 2.520 245 H HA 0.340 4.908 4.556 0.019 0.000 0.284 245 H C 1.383 176.764 175.328 0.089 0.000 1.037 245 H CA -0.741 55.324 56.048 0.029 0.000 1.168 245 H CB -0.128 29.659 29.762 0.042 0.000 1.497 245 H HN -0.020 8.049 8.280 -0.173 0.107 0.547 246 S N 0.581 116.375 115.700 0.157 0.000 2.407 246 S HA -0.424 4.108 4.470 0.104 0.000 0.235 246 S C -0.119 174.570 174.600 0.149 0.000 1.036 246 S CA 4.657 62.940 58.200 0.138 0.000 1.013 246 S CB -0.017 63.274 63.200 0.152 0.000 0.820 246 S HN -0.386 7.968 8.310 0.074 0.000 0.476 247 E N -2.992 117.288 120.200 0.133 0.000 2.499 247 E HA 0.092 4.534 4.350 0.154 0.000 0.207 247 E C -1.434 175.239 176.600 0.121 0.000 1.034 247 E CA -1.494 54.982 56.400 0.126 0.000 1.098 247 E CB -1.145 28.600 29.700 0.076 0.000 1.148 247 E HN -0.041 8.341 8.360 0.100 0.038 0.447 248 A N 1.408 124.325 122.820 0.161 0.000 2.269 248 A HA 0.151 4.538 4.320 0.113 0.000 0.319 248 A C -1.646 176.005 177.584 0.113 0.000 1.110 248 A CA -0.598 51.524 52.037 0.142 0.000 0.847 248 A CB 1.233 20.353 19.000 0.201 0.000 1.161 248 A HN -0.277 7.835 8.150 0.192 0.154 0.497 249 S N 0.676 116.419 115.700 0.072 0.000 2.548 249 S HA 0.409 5.100 4.470 0.036 -0.199 0.276 249 S C -0.259 174.359 174.600 0.030 0.000 1.129 249 S CA -1.026 57.199 58.200 0.041 0.000 0.931 249 S CB 1.891 65.108 63.200 0.029 0.000 1.068 249 S HN -0.007 8.345 8.310 0.069 0.000 0.480 250 G N 6.337 115.148 108.800 0.018 0.000 2.466 250 G HA2 -0.176 3.796 3.960 0.020 0.000 0.316 250 G HA3 -0.176 3.797 3.960 0.022 0.000 0.316 250 G C -2.220 172.683 174.900 0.004 0.000 1.270 250 G CA -0.485 44.625 45.100 0.017 0.000 0.982 250 G HN 0.557 8.854 8.290 0.012 0.000 0.506 251 M N 0.595 120.206 119.600 0.018 0.000 2.113 251 M HA 0.649 5.317 4.480 0.008 -0.183 0.352 251 M C 0.003 176.318 176.300 0.025 0.000 1.170 251 M CA -1.413 53.912 55.300 0.041 0.000 1.053 251 M CB -0.075 32.586 32.600 0.102 0.000 1.601 251 M HN -0.013 8.294 8.290 0.029 0.000 0.459 252 V N 4.380 124.265 119.914 -0.048 0.000 3.160 252 V HA 0.781 4.840 4.120 -0.102 0.000 0.310 252 V C -2.328 173.558 176.094 -0.346 0.000 1.181 252 V CA -2.429 59.773 62.300 -0.163 0.000 1.047 252 V CB 4.401 36.095 31.823 -0.215 0.000 1.068 252 V HN 0.796 8.857 8.190 -0.042 0.104 0.441 253 T N -1.210 113.112 114.554 -0.387 0.000 2.907 253 T HA 0.829 5.048 4.350 -0.592 -0.224 0.292 253 T C -1.429 173.152 174.700 -0.200 0.000 1.043 253 T CA -2.367 59.438 62.100 -0.491 0.000 1.003 253 T CB 2.602 71.119 68.868 -0.584 0.000 1.084 253 T HN -0.045 8.043 8.240 -0.253 0.000 0.483 254 Q N 0.000 119.771 119.800 -0.048 0.000 2.315 254 Q HA 0.000 4.369 4.340 0.048 0.000 0.214 254 Q CA 0.000 55.848 55.803 0.075 0.000 1.022 254 Q CB 0.000 28.673 28.738 -0.108 0.000 1.108 254 Q HN 0.000 8.273 8.270 0.005 0.000 0.481