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 1e3d_1_C DATA FIRST_RESID 5 DATA SEQUENCE SRPSVVYLHA AECTGCSEAL LRTYQPFIDT LILDTISLDY HETIMAAAGE DATA SEQUENCE AAEEALQAAV NGPDGFICLV EGAIPTGMDN KYGYIAGHTM YDICKNILPK DATA SEQUENCE AKAVVSIGTC ACYGGIQAAK PNPTAAKGIN DCYADLGVKA INVPGCPPNP DATA SEQUENCE LNMVGTLVAF LKGQKIELDE VGRPVMFFGQ SVHDLCERRK HFDAGEFAPS DATA SEQUENCE FNSEEARKGW CLYDVGCKGP ETYNNCPKVL FNETNWPVAA GHPCIGCSEP DATA SEQUENCE NFWDDMTPFY QN 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 5 S HA 0.000 4.489 4.470 0.032 0.000 0.327 5 S C 0.000 174.622 174.600 0.037 0.000 1.055 5 S CA 0.000 58.219 58.200 0.032 0.000 1.107 5 S CB 0.000 63.219 63.200 0.032 0.000 0.593 6 R N 2.935 123.461 120.500 0.043 0.000 2.457 6 R HA 0.319 4.687 4.340 0.047 0.000 0.284 6 R C -2.027 174.311 176.300 0.065 0.000 1.024 6 R CA -1.668 54.463 56.100 0.051 0.000 1.025 6 R CB 0.182 30.513 30.300 0.051 0.000 1.063 6 R HN 0.069 8.364 8.270 0.042 0.000 0.493 7 P HA 0.051 4.527 4.420 0.093 0.000 0.265 7 P C -1.593 175.773 177.300 0.110 0.000 1.193 7 P CA -0.165 62.992 63.100 0.095 0.000 0.765 7 P CB 0.772 32.535 31.700 0.105 0.000 0.823 8 S N 3.321 119.099 115.700 0.130 0.000 2.523 8 S HA 0.374 5.087 4.470 0.129 -0.165 0.275 8 S C -0.632 174.081 174.600 0.188 0.000 1.281 8 S CA -0.542 57.749 58.200 0.151 0.000 1.050 8 S CB 0.786 64.083 63.200 0.162 0.000 0.937 8 S HN 0.415 8.804 8.310 0.132 0.000 0.492 9 V N 8.149 128.171 119.914 0.181 0.000 2.487 9 V HA 0.556 4.976 4.120 0.210 -0.174 0.298 9 V C -1.863 174.373 176.094 0.237 0.000 1.028 9 V CA -1.499 60.923 62.300 0.202 0.000 0.860 9 V CB 2.975 34.901 31.823 0.172 0.000 0.991 9 V HN 0.544 8.831 8.190 0.162 0.000 0.427 10 V N 7.782 127.864 119.914 0.279 0.000 2.370 10 V HA 0.152 4.432 4.120 0.267 0.000 0.279 10 V C -2.141 174.109 176.094 0.261 0.000 1.029 10 V CA -1.456 60.998 62.300 0.256 0.000 0.870 10 V CB 0.784 32.694 31.823 0.146 0.000 0.984 10 V HN 0.933 9.319 8.190 0.326 0.000 0.451 11 Y N 9.582 129.988 120.300 0.177 0.000 2.328 11 Y HA 0.585 5.365 4.550 0.025 -0.214 0.337 11 Y C -1.764 174.167 175.900 0.051 0.000 0.966 11 Y CA -2.413 55.721 58.100 0.058 0.000 1.136 11 Y CB 2.143 40.630 38.460 0.045 0.000 1.170 11 Y HN -0.051 8.501 8.280 0.452 0.000 0.470 12 L N 6.426 127.676 121.223 0.045 0.000 2.317 12 L HA 0.388 4.895 4.340 0.279 0.000 0.281 12 L C -1.668 175.171 176.870 -0.052 0.000 1.024 12 L CA -1.279 53.617 54.840 0.094 0.000 0.810 12 L CB 2.667 44.738 42.059 0.019 0.000 1.240 12 L HN 0.438 8.555 8.230 -0.189 0.000 0.427 13 H N 2.553 121.714 119.070 0.153 0.000 2.551 13 H HA 0.534 5.321 4.556 0.120 -0.159 0.321 13 H C -0.768 174.618 175.328 0.098 0.000 1.028 13 H CA -0.204 55.919 56.048 0.125 0.000 1.215 13 H CB 1.220 31.053 29.762 0.119 0.000 1.414 13 H HN 0.318 8.813 8.280 0.358 0.000 0.480 14 A N 6.358 129.281 122.820 0.171 0.000 3.637 14 A HA 0.257 4.661 4.320 0.141 0.000 0.192 14 A C -1.565 176.096 177.584 0.129 0.000 1.783 14 A CA -1.154 50.964 52.037 0.134 0.000 1.891 14 A CB 1.319 20.378 19.000 0.099 0.000 1.430 14 A HN 0.931 9.162 8.150 0.135 0.000 0.460 15 A N 1.536 124.415 122.820 0.098 0.000 2.506 15 A HA 0.180 4.551 4.320 0.086 0.000 0.320 15 A C -1.783 175.854 177.584 0.088 0.000 1.424 15 A CA -0.280 51.806 52.037 0.082 0.000 1.044 15 A CB -0.797 18.235 19.000 0.053 0.000 1.140 15 A HN -0.159 8.044 8.150 0.088 0.000 0.538 16 E N 1.663 121.928 120.200 0.108 0.000 2.449 16 E HA 0.261 4.681 4.350 0.116 0.000 0.278 16 E C -0.975 175.696 176.600 0.119 0.000 0.992 16 E CA -0.946 55.532 56.400 0.129 0.000 0.807 16 E CB 1.141 30.951 29.700 0.184 0.000 1.350 16 E HN -0.319 8.106 8.360 0.108 0.000 0.462 17 C N -2.380 116.997 119.300 0.128 0.000 3.183 17 C HA 0.610 5.119 4.460 0.081 0.000 0.285 17 C C 0.259 175.319 174.990 0.117 0.000 1.313 17 C CA -0.730 58.350 59.018 0.103 0.000 1.711 17 C CB -0.283 27.512 27.740 0.092 0.000 2.135 17 C HN 0.631 8.947 8.230 0.144 0.000 0.651 18 T N 0.224 114.882 114.554 0.173 0.000 6.157 18 T HA -0.365 4.302 4.350 0.311 -0.131 0.281 18 T C 0.361 175.167 174.700 0.177 0.000 2.039 18 T CA 1.664 63.888 62.100 0.207 0.000 3.312 18 T CB -2.679 66.260 68.868 0.118 0.000 1.589 18 T HN 0.113 8.575 8.240 0.200 -0.102 1.129 19 G N -0.097 108.797 108.800 0.156 0.000 2.443 19 G HA2 -0.285 3.751 3.960 0.127 0.000 0.219 19 G HA3 -0.285 3.744 3.960 0.115 0.000 0.219 19 G C 0.446 175.439 174.900 0.155 0.000 1.131 19 G CA 1.722 46.903 45.100 0.136 0.000 0.775 19 G HN -0.110 8.202 8.290 0.156 0.071 0.547 20 C N 0.376 119.791 119.300 0.192 0.000 2.457 20 C HA -0.185 4.382 4.460 0.178 0.000 0.278 20 C C 2.111 177.249 174.990 0.247 0.000 1.309 20 C CA 2.976 62.118 59.018 0.208 0.000 1.735 20 C CB -1.557 26.306 27.740 0.205 0.000 1.992 20 C HN -0.256 8.321 8.230 0.202 -0.226 0.493 21 S N 0.576 116.446 115.700 0.285 0.000 2.383 21 S HA -0.292 4.304 4.470 0.211 0.000 0.227 21 S C 1.838 176.518 174.600 0.133 0.000 1.026 21 S CA 4.276 62.612 58.200 0.227 0.000 0.981 21 S CB -0.569 62.823 63.200 0.320 0.000 0.818 21 S HN -0.250 8.355 8.310 0.308 -0.111 0.472 22 E N 0.928 121.206 120.200 0.131 0.000 2.077 22 E HA -0.297 4.095 4.350 0.069 0.000 0.193 22 E C 2.212 178.869 176.600 0.096 0.000 0.989 22 E CA 2.686 59.141 56.400 0.091 0.000 0.800 22 E CB -0.154 29.596 29.700 0.083 0.000 0.746 22 E HN -0.653 7.799 8.360 0.152 0.000 0.452 23 A N -1.278 121.613 122.820 0.117 0.000 1.933 23 A HA -0.194 4.202 4.320 0.127 0.000 0.218 23 A C 2.724 180.376 177.584 0.112 0.000 1.175 23 A CA 2.649 54.762 52.037 0.126 0.000 0.628 23 A CB -0.568 18.518 19.000 0.143 0.000 0.814 23 A HN -0.325 7.901 8.150 0.127 0.000 0.444 24 L N -0.472 120.818 121.223 0.112 0.000 2.012 24 L HA -0.307 4.082 4.340 0.082 0.000 0.210 24 L C 1.777 178.683 176.870 0.060 0.000 1.073 24 L CA 2.859 57.752 54.840 0.088 0.000 0.748 24 L CB -0.050 42.073 42.059 0.108 0.000 0.891 24 L HN -0.397 7.912 8.230 0.132 0.000 0.431 25 L N -4.926 116.325 121.223 0.047 0.000 2.450 25 L HA -0.274 4.081 4.340 0.024 0.000 0.224 25 L C 0.968 177.893 176.870 0.092 0.000 1.149 25 L CA 1.816 56.682 54.840 0.042 0.000 0.816 25 L CB -0.754 41.318 42.059 0.021 0.000 0.932 25 L HN -0.469 7.713 8.230 0.049 0.077 0.449 26 R N -5.257 115.312 120.500 0.114 0.000 2.334 26 R HA 0.085 4.528 4.340 0.172 0.000 0.220 26 R C 0.621 177.041 176.300 0.199 0.000 0.917 26 R CA -1.437 54.761 56.100 0.164 0.000 1.073 26 R CB -0.630 29.771 30.300 0.169 0.000 1.056 26 R HN -0.676 7.469 8.270 0.104 0.187 0.506 27 T N 0.581 115.210 114.554 0.125 0.000 2.940 27 T HA -0.114 4.216 4.350 -0.034 0.000 0.309 27 T C -0.310 174.437 174.700 0.078 0.000 1.056 27 T CA 0.738 62.858 62.100 0.033 0.000 1.137 27 T CB 1.374 70.230 68.868 -0.019 0.000 0.976 27 T HN -0.485 7.645 8.240 0.105 0.173 0.547 28 Y N 3.624 123.805 120.300 -0.200 0.000 2.610 28 Y HA 0.236 4.236 4.550 -0.916 0.000 0.254 28 Y C -1.770 173.764 175.900 -0.609 0.000 1.110 28 Y CA -1.258 56.479 58.100 -0.605 0.000 1.238 28 Y CB 0.562 38.743 38.460 -0.465 0.000 1.322 28 Y HN 0.490 8.511 8.280 -0.432 0.000 0.547 29 Q N 1.158 120.655 119.800 -0.505 0.000 3.300 29 Q HA 0.439 4.605 4.340 -0.290 0.000 0.271 29 Q C -2.683 173.188 176.000 -0.214 0.000 0.926 29 Q CA -2.439 53.157 55.803 -0.344 0.000 0.788 29 Q CB 0.506 29.027 28.738 -0.360 0.000 1.385 29 Q HN -0.420 7.535 8.270 -0.525 0.000 0.424 30 P HA 0.214 4.505 4.420 -0.214 0.000 0.287 30 P C -1.253 175.969 177.300 -0.130 0.000 1.296 30 P CA -1.466 61.546 63.100 -0.146 0.000 0.811 30 P CB 0.878 32.564 31.700 -0.023 0.000 1.211 31 F N -4.504 115.476 119.950 0.049 0.000 2.539 31 F HA -0.187 4.622 4.527 0.074 -0.237 0.340 31 F C 2.142 177.959 175.800 0.028 0.000 1.185 31 F CA 0.885 58.917 58.000 0.054 0.000 1.333 31 F CB 0.152 39.184 39.000 0.053 0.000 1.152 31 F HN -0.151 8.090 8.300 -0.098 0.000 0.602 32 I N 2.127 122.841 120.570 0.240 0.000 2.286 32 I HA -0.408 3.813 4.170 0.085 0.000 0.248 32 I C 0.360 176.528 176.117 0.085 0.000 1.115 32 I CA 2.317 63.684 61.300 0.111 0.000 1.392 32 I CB -0.127 37.915 38.000 0.069 0.000 1.065 32 I HN 0.654 9.046 8.210 0.303 0.000 0.418 33 D N -2.578 117.881 120.400 0.097 0.000 2.097 33 D HA -0.301 4.360 4.640 0.035 0.000 0.195 33 D C 1.737 178.078 176.300 0.068 0.000 0.989 33 D CA 3.858 57.893 54.000 0.058 0.000 0.827 33 D CB -1.542 39.280 40.800 0.037 0.000 0.966 33 D HN 0.133 8.563 8.370 0.126 0.015 0.456 34 T N 2.133 116.750 114.554 0.105 0.000 2.720 34 T HA -0.270 4.124 4.350 0.073 0.000 0.268 34 T C 1.965 176.704 174.700 0.064 0.000 1.037 34 T CA 3.905 66.058 62.100 0.087 0.000 1.144 34 T CB -0.368 68.567 68.868 0.112 0.000 0.864 34 T HN -0.265 8.064 8.240 0.148 0.000 0.444 35 L N 1.855 123.116 121.223 0.064 0.000 2.042 35 L HA -0.205 4.163 4.340 0.046 0.000 0.210 35 L C 1.318 178.215 176.870 0.047 0.000 1.076 35 L CA 3.497 58.367 54.840 0.049 0.000 0.749 35 L CB 0.067 42.153 42.059 0.045 0.000 0.893 35 L HN -0.416 7.782 8.230 0.078 0.079 0.432 36 I N -6.741 113.853 120.570 0.039 0.000 3.603 36 I HA -0.097 4.098 4.170 0.041 0.000 0.297 36 I C 1.064 177.201 176.117 0.033 0.000 1.269 36 I CA 2.372 63.692 61.300 0.033 0.000 1.361 36 I CB 0.018 38.025 38.000 0.012 0.000 1.063 36 I HN -0.540 7.694 8.210 0.039 0.000 0.448 37 L N -1.255 119.988 121.223 0.034 0.000 2.298 37 L HA -0.138 4.219 4.340 0.028 0.000 0.209 37 L C 1.187 178.078 176.870 0.035 0.000 1.084 37 L CA 2.256 57.115 54.840 0.032 0.000 0.816 37 L CB 0.471 42.547 42.059 0.029 0.000 0.967 37 L HN -0.145 8.108 8.230 0.038 0.000 0.460 38 D N -2.777 117.647 120.400 0.039 0.000 2.766 38 D HA 0.175 4.836 4.640 0.035 0.000 0.284 38 D C 1.382 177.706 176.300 0.040 0.000 1.050 38 D CA 2.079 56.102 54.000 0.038 0.000 0.945 38 D CB 1.348 42.172 40.800 0.040 0.000 1.272 38 D HN -0.022 8.373 8.370 0.042 0.000 0.482 39 T N -0.266 114.315 114.554 0.044 0.000 2.866 39 T HA 0.015 4.390 4.350 0.042 0.000 0.250 39 T C -0.086 174.648 174.700 0.056 0.000 1.033 39 T CA 3.190 65.317 62.100 0.046 0.000 1.145 39 T CB 1.550 70.445 68.868 0.045 0.000 0.866 39 T HN -0.474 7.793 8.240 0.045 0.000 0.434 40 I N -6.084 114.523 120.570 0.062 0.000 3.170 40 I HA 0.546 4.853 4.170 0.077 -0.090 0.312 40 I C -1.986 174.173 176.117 0.070 0.000 1.085 40 I CA -2.521 58.824 61.300 0.074 0.000 0.999 40 I CB 3.715 41.769 38.000 0.089 0.000 1.233 40 I HN -0.414 7.831 8.210 0.058 0.000 0.467 41 S N 1.166 116.914 115.700 0.081 0.000 2.532 41 S HA 0.321 4.831 4.470 0.066 0.000 0.318 41 S C -1.270 173.388 174.600 0.097 0.000 1.083 41 S CA -2.131 56.115 58.200 0.077 0.000 1.131 41 S CB 0.630 63.873 63.200 0.072 0.000 0.973 41 S HN 0.476 8.840 8.310 0.090 0.000 0.468 42 L N 9.427 130.704 121.223 0.090 0.000 2.385 42 L HA 0.237 4.799 4.340 0.148 -0.133 0.285 42 L C -0.406 176.536 176.870 0.121 0.000 1.125 42 L CA 0.095 55.005 54.840 0.117 0.000 0.890 42 L CB -0.157 41.955 42.059 0.088 0.000 1.251 42 L HN 0.729 9.003 8.230 0.072 0.000 0.445 43 D N 5.672 126.160 120.400 0.148 0.000 2.354 43 D HA 0.004 4.710 4.640 0.110 0.000 0.209 43 D C -0.637 175.794 176.300 0.217 0.000 1.015 43 D CA 1.182 55.265 54.000 0.139 0.000 0.867 43 D CB 1.288 42.151 40.800 0.105 0.000 0.933 43 D HN -0.080 8.389 8.370 0.165 0.000 0.520 44 Y N -1.899 118.459 120.300 0.097 0.000 2.390 44 Y HA 0.082 4.689 4.550 0.095 0.000 0.324 44 Y C -2.867 173.152 175.900 0.199 0.000 1.151 44 Y CA -0.071 58.094 58.100 0.108 0.000 1.053 44 Y CB 2.853 41.349 38.460 0.059 0.000 1.277 44 Y HN -0.880 7.569 8.280 0.283 0.000 0.432 45 H N 7.377 126.259 119.070 -0.312 0.000 3.278 45 H HA 0.391 4.906 4.556 -0.068 0.000 0.326 45 H C -1.090 174.051 175.328 -0.311 0.000 1.113 45 H CA 0.071 55.994 56.048 -0.208 0.000 1.553 45 H CB 2.313 31.991 29.762 -0.141 0.000 1.997 45 H HN 0.157 8.217 8.280 -0.366 0.000 0.456 46 E N 6.120 126.141 120.200 -0.297 0.000 2.204 46 E HA -0.292 3.866 4.350 -0.320 0.000 0.195 46 E C 0.869 177.398 176.600 -0.118 0.000 0.990 46 E CA 2.953 59.203 56.400 -0.251 0.000 0.821 46 E CB 0.116 29.694 29.700 -0.205 0.000 0.750 46 E HN 0.611 8.793 8.360 -0.295 0.000 0.477 47 T N -1.505 113.061 114.554 0.019 0.000 2.904 47 T HA -0.194 4.119 4.350 -0.061 0.000 0.267 47 T C 0.960 175.667 174.700 0.012 0.000 1.059 47 T CA 3.085 65.200 62.100 0.026 0.000 1.137 47 T CB 0.438 69.376 68.868 0.116 0.000 0.879 47 T HN 0.056 8.348 8.240 0.140 0.033 0.467 48 I N -5.678 114.906 120.570 0.022 0.000 4.338 48 I HA 0.329 4.468 4.170 -0.051 0.000 0.329 48 I C -0.590 175.496 176.117 -0.051 0.000 1.378 48 I CA -0.377 60.890 61.300 -0.056 0.000 1.170 48 I CB 1.255 39.172 38.000 -0.138 0.000 1.206 48 I HN -0.757 7.521 8.210 0.113 0.000 0.432 49 M N 0.689 120.260 119.600 -0.050 0.000 2.238 49 M HA 0.111 4.565 4.480 -0.042 0.000 0.347 49 M C 0.314 176.589 176.300 -0.041 0.000 1.173 49 M CA 0.496 55.763 55.300 -0.055 0.000 1.147 49 M CB 0.639 33.176 32.600 -0.106 0.000 1.547 49 M HN -0.586 7.677 8.290 -0.046 0.000 0.455 50 A N 4.177 126.984 122.820 -0.023 0.000 1.902 50 A HA -0.191 4.120 4.320 -0.016 0.000 0.217 50 A C -0.153 177.426 177.584 -0.007 0.000 1.181 50 A CA 1.767 53.796 52.037 -0.013 0.000 0.623 50 A CB -0.561 18.437 19.000 -0.005 0.000 0.818 50 A HN 0.244 8.382 8.150 -0.019 0.000 0.443 51 A N -2.173 120.647 122.820 -0.000 0.000 2.351 51 A HA 0.067 4.396 4.320 0.014 0.000 0.257 51 A C -1.242 176.349 177.584 0.011 0.000 1.087 51 A CA -0.318 51.728 52.037 0.014 0.000 0.798 51 A CB 0.810 19.831 19.000 0.036 0.000 1.033 51 A HN -0.328 7.822 8.150 -0.000 0.000 0.488 52 A N 0.401 123.235 122.820 0.023 0.000 2.486 52 A HA 0.451 4.789 4.320 0.031 0.000 0.289 52 A C 0.369 177.981 177.584 0.047 0.000 1.176 52 A CA -0.915 51.140 52.037 0.029 0.000 0.757 52 A CB 1.829 20.838 19.000 0.015 0.000 1.337 52 A HN -0.087 8.077 8.150 0.023 0.000 0.423 53 G N -0.148 108.685 108.800 0.055 0.000 2.634 53 G HA2 -0.407 3.577 3.960 0.040 0.000 0.309 53 G HA3 -0.407 3.588 3.960 0.058 0.000 0.309 53 G C 0.486 175.426 174.900 0.066 0.000 1.265 53 G CA 1.117 46.249 45.100 0.055 0.000 0.998 53 G HN 0.167 8.490 8.290 0.055 0.000 0.551 54 E N 3.620 123.849 120.200 0.049 0.000 2.118 54 E HA -0.430 3.951 4.350 0.053 0.000 0.195 54 E C 2.314 178.945 176.600 0.051 0.000 0.992 54 E CA 2.995 59.423 56.400 0.047 0.000 0.804 54 E CB -0.179 29.541 29.700 0.032 0.000 0.741 54 E HN 0.381 8.765 8.360 0.039 0.000 0.458 55 A N -1.763 121.086 122.820 0.048 0.000 1.969 55 A HA -0.120 4.380 4.320 0.042 -0.154 0.218 55 A C 1.411 179.040 177.584 0.075 0.000 1.169 55 A CA 2.539 54.605 52.037 0.049 0.000 0.635 55 A CB -0.606 18.416 19.000 0.037 0.000 0.810 55 A HN -0.283 7.892 8.150 0.043 0.000 0.445 56 A N -1.011 121.869 122.820 0.100 0.000 1.872 56 A HA -0.375 4.051 4.320 0.176 0.000 0.214 56 A C 1.472 179.189 177.584 0.223 0.000 1.187 56 A CA 2.930 55.076 52.037 0.182 0.000 0.614 56 A CB -0.531 18.576 19.000 0.179 0.000 0.826 56 A HN -0.586 7.505 8.150 0.086 0.110 0.442 57 E N -0.846 119.438 120.200 0.139 0.000 2.097 57 E HA -0.425 3.947 4.350 0.037 0.000 0.196 57 E C 2.211 178.822 176.600 0.018 0.000 1.000 57 E CA 3.476 59.914 56.400 0.064 0.000 0.804 57 E CB -0.140 29.600 29.700 0.066 0.000 0.740 57 E HN 0.045 8.481 8.360 0.127 0.000 0.454 58 E N -1.040 119.180 120.200 0.034 0.000 2.106 58 E HA -0.323 4.024 4.350 -0.004 0.000 0.192 58 E C 2.425 179.031 176.600 0.010 0.000 0.984 58 E CA 2.544 58.952 56.400 0.013 0.000 0.806 58 E CB -0.252 29.461 29.700 0.021 0.000 0.750 58 E HN -0.053 8.337 8.360 0.049 0.000 0.458 59 A N -0.092 122.759 122.820 0.052 0.000 1.902 59 A HA -0.206 4.141 4.320 0.045 0.000 0.217 59 A C 2.011 179.614 177.584 0.032 0.000 1.181 59 A CA 3.013 55.092 52.037 0.070 0.000 0.623 59 A CB -0.621 18.458 19.000 0.132 0.000 0.818 59 A HN -0.406 7.789 8.150 0.074 0.000 0.443 60 L N -1.105 120.108 121.223 -0.016 0.000 2.027 60 L HA -0.356 3.850 4.340 -0.223 0.000 0.206 60 L C 1.848 178.572 176.870 -0.244 0.000 1.074 60 L CA 3.096 57.789 54.840 -0.245 0.000 0.745 60 L CB -0.374 41.323 42.059 -0.603 0.000 0.898 60 L HN -0.467 7.782 8.230 0.032 0.000 0.433 61 Q N -1.941 117.756 119.800 -0.172 0.000 2.084 61 Q HA -0.462 3.762 4.340 -0.193 0.000 0.202 61 Q C 2.742 178.663 176.000 -0.132 0.000 0.978 61 Q CA 2.720 58.431 55.803 -0.154 0.000 0.844 61 Q CB -0.695 27.985 28.738 -0.098 0.000 0.898 61 Q HN -0.138 8.051 8.270 -0.136 0.000 0.426 62 A N -1.165 121.602 122.820 -0.089 0.000 1.851 62 A HA -0.295 3.993 4.320 -0.054 0.000 0.216 62 A C 2.351 179.879 177.584 -0.093 0.000 1.195 62 A CA 2.732 54.731 52.037 -0.064 0.000 0.622 62 A CB -0.859 18.125 19.000 -0.027 0.000 0.831 62 A HN -0.071 8.036 8.150 -0.071 0.000 0.444 63 A N -0.973 121.775 122.820 -0.120 0.000 1.892 63 A HA -0.318 3.951 4.320 -0.084 0.000 0.218 63 A C 2.332 179.711 177.584 -0.342 0.000 1.188 63 A CA 2.745 54.684 52.037 -0.163 0.000 0.631 63 A CB -0.529 18.378 19.000 -0.154 0.000 0.822 63 A HN -0.522 7.567 8.150 -0.101 0.000 0.447 64 V N -4.932 114.676 119.914 -0.511 0.000 2.759 64 V HA -0.246 2.940 4.120 -1.556 0.000 0.256 64 V C -0.031 175.894 176.094 -0.282 0.000 1.080 64 V CA 2.647 64.481 62.300 -0.776 0.000 1.101 64 V CB -0.593 30.861 31.823 -0.615 0.000 0.698 64 V HN -0.031 7.910 8.190 -0.415 0.000 0.477 65 N N -2.327 116.283 118.700 -0.149 0.000 2.416 65 N HA 0.081 4.818 4.740 -0.004 0.000 0.267 65 N C -0.278 175.227 175.510 -0.009 0.000 1.294 65 N CA -0.752 52.272 53.050 -0.044 0.000 0.891 65 N CB 1.232 39.690 38.487 -0.050 0.000 1.238 65 N HN -0.734 7.507 8.380 -0.164 0.041 0.508 66 G N 0.775 109.577 108.800 0.004 0.000 2.537 66 G HA2 0.363 4.340 3.960 0.029 0.000 0.273 66 G HA3 0.363 4.331 3.960 0.015 0.000 0.273 66 G C -1.402 173.530 174.900 0.054 0.000 1.189 66 G CA -1.567 43.548 45.100 0.027 0.000 0.881 66 G HN -0.845 7.371 8.290 -0.013 0.067 0.535 67 P HA 0.013 4.458 4.420 0.041 0.000 0.220 67 P C -0.227 177.105 177.300 0.053 0.000 1.152 67 P CA 0.731 63.857 63.100 0.043 0.000 0.812 67 P CB 0.190 31.908 31.700 0.030 0.000 0.792 68 D N -2.585 117.853 120.400 0.063 0.000 2.349 68 D HA 0.019 4.692 4.640 0.054 0.000 0.224 68 D C 0.213 176.568 176.300 0.093 0.000 1.029 68 D CA 0.003 54.044 54.000 0.068 0.000 0.879 68 D CB 0.006 40.846 40.800 0.066 0.000 0.906 68 D HN 0.199 8.606 8.370 0.062 0.000 0.528 69 G N -0.763 108.114 108.800 0.127 0.000 2.855 69 G HA2 -0.413 3.614 3.960 0.111 0.000 0.352 69 G HA3 -0.413 3.691 3.960 0.239 0.000 0.352 69 G C -2.518 172.551 174.900 0.280 0.000 1.415 69 G CA -0.257 44.953 45.100 0.182 0.000 0.871 69 G HN -0.745 7.539 8.290 0.121 0.079 0.543 70 F N -5.733 114.230 119.950 0.021 0.000 2.645 70 F HA 0.630 5.295 4.527 0.039 -0.115 0.310 70 F C -2.422 173.381 175.800 0.005 0.000 1.102 70 F CA -2.741 55.272 58.000 0.022 0.000 0.952 70 F CB 2.288 41.292 39.000 0.008 0.000 1.326 70 F HN -0.069 8.256 8.300 0.042 0.000 0.456 71 I N -0.479 120.086 120.570 -0.008 0.000 2.385 71 I HA 0.309 4.391 4.170 -0.340 -0.116 0.294 71 I C -1.734 174.372 176.117 -0.018 0.000 0.988 71 I CA -1.153 60.052 61.300 -0.157 0.000 1.265 71 I CB 2.316 40.254 38.000 -0.104 0.000 1.388 71 I HN 0.116 8.420 8.210 0.157 0.000 0.480 72 C N 7.899 127.115 119.300 -0.140 0.000 2.322 72 C HA 0.856 5.598 4.460 0.120 -0.211 0.324 72 C C -1.680 173.239 174.990 -0.118 0.000 1.284 72 C CA -2.402 56.611 59.018 -0.008 0.000 1.606 72 C CB 1.304 29.061 27.740 0.027 0.000 2.251 72 C HN 0.406 8.472 8.230 -0.274 0.000 0.502 73 L N 8.728 129.871 121.223 -0.134 0.000 2.282 73 L HA 0.713 5.082 4.340 -0.256 -0.182 0.288 73 L C -1.360 175.241 176.870 -0.448 0.000 1.033 73 L CA -1.195 53.463 54.840 -0.303 0.000 0.807 73 L CB 1.657 43.500 42.059 -0.360 0.000 1.209 73 L HN 0.612 8.805 8.230 -0.063 0.000 0.423 74 V N 3.550 123.241 119.914 -0.372 0.000 2.409 74 V HA 0.425 4.487 4.120 -0.343 -0.148 0.291 74 V C -1.580 174.318 176.094 -0.326 0.000 1.020 74 V CA -1.931 60.180 62.300 -0.315 0.000 0.848 74 V CB 1.074 32.808 31.823 -0.149 0.000 0.990 74 V HN 0.389 8.397 8.190 -0.304 0.000 0.430 75 E N 7.260 127.254 120.200 -0.344 0.000 2.151 75 E HA 0.538 4.969 4.350 -0.129 -0.159 0.275 75 E C -0.840 175.746 176.600 -0.023 0.000 0.936 75 E CA -2.341 53.961 56.400 -0.163 0.000 0.777 75 E CB 2.962 32.603 29.700 -0.100 0.000 1.108 75 E HN 0.574 8.689 8.360 -0.408 0.000 0.401 76 G N 3.964 112.776 108.800 0.020 0.000 2.612 76 G HA2 -0.315 3.739 3.960 0.080 0.000 0.686 76 G HA3 -0.315 3.732 3.960 0.076 -0.042 0.686 76 G C -2.053 172.874 174.900 0.045 0.000 1.274 76 G CA -0.895 44.241 45.100 0.060 0.000 0.849 76 G HN -0.142 8.152 8.290 0.006 0.000 0.595 77 A N -0.935 121.918 122.820 0.054 0.000 2.287 77 A HA 0.353 4.770 4.320 0.034 -0.077 0.273 77 A C -0.887 176.728 177.584 0.052 0.000 1.091 77 A CA -1.070 50.993 52.037 0.043 0.000 0.817 77 A CB 2.137 21.160 19.000 0.038 0.000 1.069 77 A HN 0.010 8.197 8.150 0.062 0.000 0.492 78 I N -1.482 119.112 120.570 0.041 0.000 2.304 78 I HA 0.384 4.606 4.170 0.087 0.000 0.291 78 I C -1.986 174.158 176.117 0.046 0.000 1.018 78 I CA -4.572 56.765 61.300 0.062 0.000 1.260 78 I CB -0.119 37.914 38.000 0.056 0.000 1.390 78 I HN 0.360 8.584 8.210 0.022 0.000 0.475 79 P HA 0.265 4.704 4.420 0.031 0.000 0.287 79 P C -0.329 177.010 177.300 0.064 0.000 1.294 79 P CA -0.510 62.626 63.100 0.061 0.000 0.776 79 P CB -0.057 31.703 31.700 0.100 0.000 0.889 80 T N 1.274 115.843 114.554 0.026 0.000 3.001 80 T HA 0.252 4.737 4.350 -0.072 -0.178 0.251 80 T C 1.079 175.773 174.700 -0.009 0.000 1.040 80 T CA -0.310 61.764 62.100 -0.045 0.000 0.985 80 T CB 1.114 69.910 68.868 -0.120 0.000 1.011 80 T HN 0.047 8.182 8.240 0.019 0.117 0.509 81 G N 1.559 110.424 108.800 0.108 0.000 2.684 81 G HA2 -0.149 3.958 3.960 0.245 0.000 0.255 81 G HA3 -0.149 3.848 3.960 0.061 0.000 0.255 81 G C -0.556 174.393 174.900 0.082 0.000 1.219 81 G CA -0.974 44.214 45.100 0.147 0.000 0.901 81 G HN -0.343 8.029 8.290 0.137 0.000 0.548 82 M N -1.043 118.560 119.600 0.004 0.000 2.212 82 M HA -0.455 3.966 4.480 -0.098 0.000 0.193 82 M C -1.052 175.155 176.300 -0.155 0.000 0.493 82 M CA 1.435 56.647 55.300 -0.147 0.000 0.427 82 M CB -0.620 31.716 32.600 -0.440 0.000 1.120 82 M HN 0.260 8.579 8.290 0.048 0.000 0.929 83 D N -3.267 117.071 120.400 -0.103 0.000 2.772 83 D HA -0.336 4.238 4.640 -0.109 0.000 0.233 83 D C -1.023 175.202 176.300 -0.125 0.000 1.143 83 D CA 1.764 55.702 54.000 -0.104 0.000 0.700 83 D CB -1.829 38.927 40.800 -0.072 0.000 1.076 83 D HN 0.526 8.846 8.370 -0.084 0.000 0.430 84 N N -10.112 108.513 118.700 -0.125 0.000 2.828 84 N HA -0.499 4.374 4.740 -0.055 -0.166 0.248 84 N C 0.197 175.596 175.510 -0.184 0.000 1.044 84 N CA 2.029 55.013 53.050 -0.110 0.000 0.851 84 N CB -1.638 36.792 38.487 -0.096 0.000 1.136 84 N HN 0.164 8.348 8.380 -0.105 0.133 0.572 85 K N -1.956 118.311 120.400 -0.223 0.000 2.458 85 K HA -0.044 3.991 4.320 -0.476 0.000 0.194 85 K C -0.067 176.459 176.600 -0.122 0.000 1.024 85 K CA 0.456 56.604 56.287 -0.231 0.000 1.108 85 K CB -0.704 31.771 32.500 -0.041 0.000 0.846 85 K HN -0.660 7.410 8.250 -0.221 0.047 0.518 86 Y N -3.047 117.244 120.300 -0.015 0.000 2.516 86 Y HA -0.143 4.441 4.550 0.056 0.000 0.291 86 Y C 0.602 176.524 175.900 0.037 0.000 1.131 86 Y CA 1.294 59.409 58.100 0.025 0.000 1.281 86 Y CB 0.414 38.877 38.460 0.004 0.000 1.013 86 Y HN -0.319 7.871 8.280 -0.036 0.068 0.554 87 G N -1.753 107.113 108.800 0.110 0.000 2.760 87 G HA2 0.271 4.280 3.960 0.082 0.000 0.285 87 G HA3 0.271 4.317 3.960 0.143 0.000 0.285 87 G C -2.946 171.933 174.900 -0.036 0.000 1.496 87 G CA 0.059 45.209 45.100 0.084 0.000 1.026 87 G HN -0.884 7.362 8.290 0.019 0.055 0.536 88 Y N 3.372 123.728 120.300 0.093 0.000 2.485 88 Y HA 0.679 5.452 4.550 0.097 -0.165 0.345 88 Y C -0.588 175.364 175.900 0.086 0.000 0.998 88 Y CA -1.172 56.977 58.100 0.082 0.000 1.059 88 Y CB 3.870 42.359 38.460 0.047 0.000 1.234 88 Y HN 0.106 8.548 8.280 0.270 0.000 0.461 89 I N 0.966 121.705 120.570 0.282 0.000 2.569 89 I HA 0.282 4.563 4.170 0.186 0.000 0.290 89 I C -0.485 175.756 176.117 0.206 0.000 1.088 89 I CA -0.888 60.540 61.300 0.213 0.000 1.047 89 I CB 3.666 41.780 38.000 0.189 0.000 1.237 89 I HN 0.509 8.895 8.210 0.294 0.000 0.421 90 A N 5.085 127.984 122.820 0.131 0.000 2.799 90 A HA -0.279 4.066 4.320 0.041 0.000 0.287 90 A C 0.420 177.956 177.584 -0.080 0.000 1.484 90 A CA 1.450 53.530 52.037 0.072 0.000 0.813 90 A CB -2.163 16.931 19.000 0.156 0.000 1.009 90 A HN 0.818 9.037 8.150 0.115 0.000 0.545 91 G N -5.362 103.400 108.800 -0.063 0.000 2.179 91 G HA2 -0.293 3.505 3.960 -0.270 0.000 0.260 91 G HA3 -0.293 3.558 3.960 -0.182 0.000 0.260 91 G C -0.640 174.222 174.900 -0.062 0.000 0.977 91 G CA -0.106 44.895 45.100 -0.165 0.000 0.641 91 G HN 0.192 8.457 8.290 0.025 0.040 0.533 92 H N 0.560 119.809 119.070 0.298 0.000 2.469 92 H HA 0.406 5.107 4.556 0.241 0.000 0.342 92 H C -0.386 175.035 175.328 0.155 0.000 1.115 92 H CA -1.695 54.491 56.048 0.230 0.000 1.204 92 H CB 1.546 31.370 29.762 0.104 0.000 1.492 92 H HN -0.197 7.993 8.280 0.149 0.180 0.499 93 T N -0.288 114.293 114.554 0.044 0.000 2.900 93 T HA -0.031 4.153 4.350 -0.529 -0.151 0.307 93 T C 1.272 175.976 174.700 0.007 0.000 1.065 93 T CA 0.513 62.469 62.100 -0.239 0.000 1.105 93 T CB 1.032 69.742 68.868 -0.263 0.000 0.979 93 T HN 0.540 8.847 8.240 0.112 0.000 0.544 94 M N 3.525 123.128 119.600 0.006 0.000 2.149 94 M HA -0.444 4.087 4.480 0.085 0.000 0.261 94 M C 1.700 178.081 176.300 0.134 0.000 1.064 94 M CA 4.747 60.098 55.300 0.084 0.000 1.102 94 M CB -0.382 32.275 32.600 0.094 0.000 1.369 94 M HN 0.140 8.293 8.290 -0.063 0.099 0.408 95 Y N -0.144 120.184 120.300 0.048 0.000 2.097 95 Y HA -0.401 4.282 4.550 0.220 0.000 0.282 95 Y C 2.250 178.246 175.900 0.159 0.000 1.152 95 Y CA 2.959 61.138 58.100 0.132 0.000 1.136 95 Y CB -0.293 38.195 38.460 0.047 0.000 0.975 95 Y HN -0.171 8.224 8.280 0.212 0.012 0.498 96 D N -0.027 120.437 120.400 0.107 0.000 2.123 96 D HA -0.353 4.235 4.640 -0.086 0.000 0.196 96 D C 2.431 178.664 176.300 -0.112 0.000 0.992 96 D CA 3.400 57.393 54.000 -0.011 0.000 0.833 96 D CB -0.502 40.359 40.800 0.102 0.000 0.954 96 D HN -0.554 7.963 8.370 0.244 0.000 0.455 97 I N -0.212 120.323 120.570 -0.059 0.000 2.226 97 I HA -0.496 3.585 4.170 -0.148 0.000 0.245 97 I C 1.882 177.901 176.117 -0.163 0.000 1.100 97 I CA 4.165 65.403 61.300 -0.103 0.000 1.374 97 I CB 0.051 38.036 38.000 -0.026 0.000 1.057 97 I HN -0.080 8.133 8.210 0.005 0.000 0.413 98 C N -1.851 117.346 119.300 -0.172 0.000 2.485 98 C HA -0.251 4.063 4.460 -0.244 0.000 0.277 98 C C 1.877 176.460 174.990 -0.678 0.000 1.376 98 C CA 3.118 61.953 59.018 -0.305 0.000 1.759 98 C CB -1.832 25.848 27.740 -0.100 0.000 1.970 98 C HN -0.299 7.849 8.230 -0.105 0.019 0.509 99 K N 1.763 121.763 120.400 -0.668 0.000 2.057 99 K HA -0.383 3.388 4.320 -0.915 0.000 0.207 99 K C 1.116 177.488 176.600 -0.380 0.000 1.049 99 K CA 3.296 59.196 56.287 -0.645 0.000 0.931 99 K CB -0.372 31.825 32.500 -0.505 0.000 0.714 99 K HN 0.006 7.958 8.250 -0.497 0.000 0.440 100 N N -1.914 116.621 118.700 -0.275 0.000 2.106 100 N HA -0.168 4.476 4.740 -0.159 0.000 0.188 100 N C 1.440 176.854 175.510 -0.160 0.000 1.029 100 N CA 2.876 55.813 53.050 -0.188 0.000 0.848 100 N CB 0.738 39.119 38.487 -0.177 0.000 1.007 100 N HN -0.618 7.596 8.380 -0.277 0.000 0.423 101 I N -2.182 118.287 120.570 -0.167 0.000 2.628 101 I HA -0.261 3.898 4.170 -0.018 0.000 0.255 101 I C 1.091 177.209 176.117 0.002 0.000 1.119 101 I CA 2.273 63.538 61.300 -0.058 0.000 1.448 101 I CB 0.705 38.653 38.000 -0.086 0.000 1.133 101 I HN -0.810 7.272 8.210 -0.213 0.000 0.438 102 L N -1.181 119.946 121.223 -0.158 0.000 2.083 102 L HA -0.138 4.138 4.340 -0.106 0.000 0.209 102 L C 0.053 176.823 176.870 -0.167 0.000 1.083 102 L CA 5.225 59.962 54.840 -0.172 0.000 0.752 102 L CB -2.999 38.888 42.059 -0.286 0.000 0.899 102 L HN -0.705 7.370 8.230 -0.258 0.000 0.433 103 P HA -0.140 4.205 4.420 -0.125 0.000 0.220 103 P C 0.098 177.343 177.300 -0.091 0.000 1.148 103 P CA 1.687 64.713 63.100 -0.123 0.000 0.803 103 P CB -0.553 31.081 31.700 -0.109 0.000 0.782 104 K N -5.115 115.262 120.400 -0.038 0.000 2.486 104 K HA -0.095 4.231 4.320 0.010 0.000 0.194 104 K C -0.127 176.390 176.600 -0.140 0.000 1.033 104 K CA -0.123 56.187 56.287 0.038 0.000 1.004 104 K CB -0.131 32.490 32.500 0.203 0.000 0.798 104 K HN -0.494 7.612 8.250 -0.025 0.129 0.495 105 A N -0.974 121.577 122.820 -0.448 0.000 2.371 105 A HA -0.092 3.184 4.320 -1.927 -0.113 0.257 105 A C -0.024 177.249 177.584 -0.518 0.000 1.089 105 A CA 0.118 51.563 52.037 -0.987 0.000 0.794 105 A CB 1.242 19.797 19.000 -0.743 0.000 1.029 105 A HN -0.618 7.196 8.150 -0.273 0.173 0.488 106 K N 1.465 121.583 120.400 -0.470 0.000 2.459 106 K HA -0.079 4.162 4.320 -0.131 0.000 0.193 106 K C -0.338 176.188 176.600 -0.124 0.000 1.030 106 K CA 0.843 57.023 56.287 -0.178 0.000 1.026 106 K CB 0.519 32.991 32.500 -0.046 0.000 0.809 106 K HN 0.058 7.923 8.250 -0.642 0.000 0.504 107 A N -3.220 119.411 122.820 -0.316 0.000 2.586 107 A HA 0.142 4.301 4.320 -0.268 0.000 0.296 107 A C -3.051 174.293 177.584 -0.400 0.000 1.040 107 A CA 0.191 51.990 52.037 -0.396 0.000 0.701 107 A CB 2.142 20.618 19.000 -0.874 0.000 1.277 107 A HN -0.514 7.324 8.150 -0.406 0.069 0.413 108 V N 1.647 121.379 119.914 -0.304 0.000 2.487 108 V HA 0.818 4.990 4.120 -0.252 -0.203 0.298 108 V C -1.229 174.734 176.094 -0.219 0.000 1.028 108 V CA -1.928 60.228 62.300 -0.241 0.000 0.860 108 V CB 2.597 34.315 31.823 -0.174 0.000 0.991 108 V HN 0.510 8.541 8.190 -0.265 0.000 0.427 109 V N 7.388 127.177 119.914 -0.209 0.000 2.357 109 V HA 0.372 4.545 4.120 -0.149 -0.142 0.284 109 V C -1.009 174.991 176.094 -0.158 0.000 1.018 109 V CA -1.981 60.219 62.300 -0.167 0.000 0.841 109 V CB 0.509 32.242 31.823 -0.149 0.000 0.991 109 V HN 0.512 8.573 8.190 -0.216 0.000 0.437 110 S N 8.384 124.000 115.700 -0.141 0.000 2.474 110 S HA 0.307 4.814 4.470 -0.153 -0.129 0.276 110 S C -0.845 173.674 174.600 -0.134 0.000 1.227 110 S CA 0.331 58.442 58.200 -0.148 0.000 1.050 110 S CB 0.377 63.480 63.200 -0.162 0.000 0.939 110 S HN 0.401 8.631 8.310 -0.132 0.000 0.490 111 I N 0.053 120.543 120.570 -0.134 0.000 2.362 111 I HA 0.575 4.847 4.170 -0.050 -0.132 0.289 111 I C -0.751 175.351 176.117 -0.025 0.000 0.994 111 I CA -2.182 59.075 61.300 -0.071 0.000 1.158 111 I CB 1.583 39.541 38.000 -0.069 0.000 1.315 111 I HN 0.413 8.524 8.210 -0.165 0.000 0.451 112 G N 6.312 115.120 108.800 0.014 0.000 2.697 112 G HA2 -0.329 3.678 3.960 0.079 0.000 0.686 112 G HA3 -0.329 3.857 3.960 0.099 -0.166 0.686 112 G C -0.017 174.910 174.900 0.045 0.000 1.179 112 G CA -0.377 44.761 45.100 0.064 0.000 0.765 112 G HN 0.386 8.684 8.290 0.014 0.000 0.649 113 T N 3.299 117.933 114.554 0.134 0.000 2.803 113 T HA -0.346 4.084 4.350 0.134 0.000 0.269 113 T C 1.562 176.366 174.700 0.175 0.000 1.052 113 T CA 5.054 67.272 62.100 0.196 0.000 1.136 113 T CB 0.028 69.129 68.868 0.389 0.000 0.864 113 T HN 0.004 8.344 8.240 0.167 0.000 0.467 114 C N -0.957 118.448 119.300 0.175 0.000 2.436 114 C HA -0.243 4.436 4.460 0.180 -0.110 0.277 114 C C 2.226 177.244 174.990 0.047 0.000 1.241 114 C CA 4.083 63.185 59.018 0.139 0.000 1.721 114 C CB -1.542 26.278 27.740 0.133 0.000 2.043 114 C HN 0.249 8.568 8.230 0.188 0.024 0.472 115 A N 0.323 123.141 122.820 -0.004 0.000 1.933 115 A HA -0.215 4.227 4.320 -0.025 -0.136 0.218 115 A C 1.986 179.486 177.584 -0.141 0.000 1.175 115 A CA 2.999 55.003 52.037 -0.055 0.000 0.628 115 A CB -1.115 17.840 19.000 -0.076 0.000 0.814 115 A HN -0.071 8.085 8.150 0.010 0.000 0.444 116 C N -2.740 116.396 119.300 -0.273 0.000 2.462 116 C HA -0.055 4.237 4.460 -0.531 -0.151 0.278 116 C C 2.042 176.636 174.990 -0.660 0.000 1.253 116 C CA 3.420 62.041 59.018 -0.661 0.000 1.713 116 C CB -0.742 26.314 27.740 -1.141 0.000 2.049 116 C HN -0.448 7.635 8.230 -0.214 0.019 0.477 117 Y N -5.478 114.853 120.300 0.051 0.000 2.666 117 Y HA 0.076 4.647 4.550 0.035 0.000 0.260 117 Y C 0.291 176.233 175.900 0.070 0.000 1.089 117 Y CA -1.259 56.874 58.100 0.056 0.000 1.246 117 Y CB 1.742 40.245 38.460 0.072 0.000 1.353 117 Y HN -0.191 8.017 8.280 -0.120 0.000 0.558 118 G N -2.022 106.880 108.800 0.169 0.000 2.561 118 G HA2 -0.198 3.843 3.960 0.134 0.000 0.203 118 G HA3 -0.198 3.814 3.960 0.087 0.000 0.203 118 G C -0.505 174.489 174.900 0.158 0.000 1.101 118 G CA -0.321 44.859 45.100 0.133 0.000 0.711 118 G HN -0.053 8.213 8.290 0.119 0.096 0.511 119 G N 0.472 109.433 108.800 0.268 0.000 2.645 119 G HA2 -0.394 3.750 3.960 0.306 0.000 0.239 119 G HA3 -0.394 3.894 3.960 0.547 0.000 0.239 119 G C 0.693 175.718 174.900 0.208 0.000 1.331 119 G CA 0.051 45.370 45.100 0.365 0.000 0.890 119 G HN -0.667 7.810 8.290 0.312 0.000 0.572 120 I N 2.036 122.621 120.570 0.025 0.000 2.163 120 I HA -0.383 2.907 4.170 -1.466 0.000 0.243 120 I C 1.259 177.138 176.117 -0.396 0.000 1.085 120 I CA 2.544 63.456 61.300 -0.647 0.000 1.347 120 I CB 0.089 37.742 38.000 -0.579 0.000 1.044 120 I HN 0.109 8.452 8.210 0.221 0.000 0.408 121 Q N -1.806 117.883 119.800 -0.184 0.000 2.369 121 Q HA -0.259 3.967 4.340 -0.190 0.000 0.206 121 Q C 0.859 176.786 176.000 -0.122 0.000 0.963 121 Q CA 2.468 58.180 55.803 -0.152 0.000 0.894 121 Q CB -1.543 27.136 28.738 -0.098 0.000 0.965 121 Q HN 0.522 8.724 8.270 -0.113 0.000 0.475 122 A N -1.460 121.315 122.820 -0.074 0.000 2.218 122 A HA -0.015 4.463 4.320 -0.045 -0.185 0.209 122 A C -0.612 176.947 177.584 -0.043 0.000 1.168 122 A CA -0.667 51.349 52.037 -0.034 0.000 0.804 122 A CB -0.153 18.864 19.000 0.028 0.000 0.834 122 A HN -0.656 7.421 8.150 -0.055 0.040 0.482 123 A N -1.060 121.700 122.820 -0.101 0.000 2.483 123 A HA -0.165 4.278 4.320 -0.023 -0.137 0.238 123 A C -0.180 177.352 177.584 -0.086 0.000 1.070 123 A CA -0.341 51.639 52.037 -0.094 0.000 0.770 123 A CB 0.710 19.578 19.000 -0.220 0.000 1.008 123 A HN -0.795 7.090 8.150 -0.160 0.169 0.497 124 K N 2.020 122.388 120.400 -0.054 0.000 2.511 124 K HA -0.143 4.149 4.320 -0.046 0.000 0.280 124 K C -0.795 175.765 176.600 -0.068 0.000 1.008 124 K CA 0.036 56.293 56.287 -0.051 0.000 1.050 124 K CB -0.676 31.802 32.500 -0.035 0.000 0.889 124 K HN -0.362 8.276 8.250 -0.035 -0.408 0.484 125 P HA 0.154 4.548 4.420 -0.044 0.000 0.259 125 P C -1.206 176.057 177.300 -0.062 0.000 1.530 125 P CA -0.922 62.146 63.100 -0.053 0.000 1.022 125 P CB 0.041 31.713 31.700 -0.046 0.000 1.514 126 N N 1.007 119.659 118.700 -0.081 0.000 2.641 126 N HA -0.360 4.498 4.740 -0.107 -0.182 0.267 126 N C -0.924 174.521 175.510 -0.107 0.000 1.087 126 N CA 0.346 53.342 53.050 -0.090 0.000 0.731 126 N CB -0.916 37.536 38.487 -0.060 0.000 0.886 126 N HN -0.076 8.174 8.380 -0.088 0.077 0.547 127 P HA -0.192 4.154 4.420 -0.122 0.000 0.218 127 P C -0.537 176.589 177.300 -0.291 0.000 1.148 127 P CA 1.971 64.962 63.100 -0.183 0.000 0.822 127 P CB 0.186 31.758 31.700 -0.214 0.000 0.784 128 T N -7.410 106.933 114.554 -0.353 0.000 3.145 128 T HA 0.065 4.011 4.350 -0.673 0.000 0.255 128 T C -0.293 174.350 174.700 -0.094 0.000 1.039 128 T CA -1.981 59.853 62.100 -0.444 0.000 0.928 128 T CB 0.057 68.609 68.868 -0.528 0.000 1.029 128 T HN -0.492 7.549 8.240 -0.280 0.031 0.554 129 A N 1.205 123.984 122.820 -0.068 0.000 2.610 129 A HA -0.468 3.864 4.320 -0.033 -0.032 0.299 129 A C -1.369 176.200 177.584 -0.024 0.000 1.487 129 A CA 0.744 52.765 52.037 -0.027 0.000 0.743 129 A CB -1.948 17.053 19.000 0.002 0.000 1.070 129 A HN -0.350 7.610 8.150 -0.092 0.135 0.439 130 A N -1.112 121.687 122.820 -0.035 0.000 2.440 130 A HA 0.047 4.549 4.320 -0.010 -0.188 0.251 130 A C -0.331 177.248 177.584 -0.008 0.000 1.089 130 A CA -0.033 51.993 52.037 -0.019 0.000 0.779 130 A CB 0.751 19.735 19.000 -0.027 0.000 1.022 130 A HN -0.225 8.255 8.150 -0.053 -0.362 0.492 131 K N 4.123 124.518 120.400 -0.008 0.000 2.426 131 K HA 0.291 4.614 4.320 0.005 0.000 0.251 131 K C -0.424 176.172 176.600 -0.007 0.000 0.941 131 K CA -1.687 54.593 56.287 -0.011 0.000 0.808 131 K CB 4.628 37.099 32.500 -0.049 0.000 1.265 131 K HN 0.020 8.265 8.250 -0.007 0.000 0.432 132 G N 1.106 109.912 108.800 0.011 0.000 2.614 132 G HA2 0.042 4.006 3.960 0.006 0.000 0.239 132 G HA3 0.042 4.074 3.960 -0.005 -0.075 0.239 132 G C 0.996 175.880 174.900 -0.027 0.000 1.240 132 G CA -0.340 44.758 45.100 -0.003 0.000 0.842 132 G HN 0.472 8.780 8.290 0.030 0.000 0.584 133 I N 1.787 122.348 120.570 -0.016 0.000 2.142 133 I HA -0.431 3.782 4.170 0.071 0.000 0.240 133 I C 1.875 178.022 176.117 0.050 0.000 1.078 133 I CA 2.404 63.733 61.300 0.048 0.000 1.343 133 I CB -1.022 37.013 38.000 0.058 0.000 1.046 133 I HN 0.349 8.540 8.210 -0.031 0.000 0.405 134 N N -1.407 117.301 118.700 0.013 0.000 2.166 134 N HA -0.335 4.434 4.740 0.048 0.000 0.186 134 N C 1.779 177.305 175.510 0.026 0.000 1.019 134 N CA 2.968 56.034 53.050 0.027 0.000 0.856 134 N CB -0.820 37.672 38.487 0.008 0.000 0.993 134 N HN 0.092 8.461 8.380 -0.019 0.000 0.426 135 D N -0.748 119.657 120.400 0.008 0.000 2.123 135 D HA -0.128 4.520 4.640 0.014 0.000 0.200 135 D C 1.105 177.377 176.300 -0.046 0.000 0.976 135 D CA 2.418 56.417 54.000 -0.001 0.000 0.831 135 D CB 0.138 40.945 40.800 0.011 0.000 0.974 135 D HN -0.097 8.264 8.370 0.007 0.014 0.469 136 C N -0.704 118.518 119.300 -0.130 0.000 2.440 136 C HA -0.088 4.250 4.460 -0.202 0.000 0.278 136 C C 1.286 176.080 174.990 -0.326 0.000 1.295 136 C CA 1.709 60.542 59.018 -0.308 0.000 1.738 136 C CB -0.520 26.876 27.740 -0.572 0.000 1.987 136 C HN -0.311 7.768 8.230 -0.113 0.083 0.492 137 Y N -3.287 117.040 120.300 0.045 0.000 2.612 137 Y HA 0.248 4.819 4.550 0.036 0.000 0.250 137 Y C 0.651 176.555 175.900 0.006 0.000 1.175 137 Y CA -1.417 56.693 58.100 0.016 0.000 1.205 137 Y CB -0.744 37.696 38.460 -0.033 0.000 1.201 137 Y HN -0.413 7.857 8.280 -0.016 0.000 0.532 138 A N 1.181 124.072 122.820 0.118 0.000 1.948 138 A HA -0.326 4.035 4.320 0.068 0.000 0.220 138 A C 0.285 177.910 177.584 0.069 0.000 1.177 138 A CA 3.147 55.229 52.037 0.074 0.000 0.636 138 A CB -0.176 18.852 19.000 0.045 0.000 0.815 138 A HN -0.572 7.629 8.150 0.084 0.000 0.449 139 D N -4.874 115.575 120.400 0.081 0.000 2.347 139 D HA -0.193 4.479 4.640 0.052 0.000 0.215 139 D C 0.626 176.972 176.300 0.076 0.000 0.976 139 D CA 1.464 55.506 54.000 0.070 0.000 0.884 139 D CB -0.852 39.989 40.800 0.069 0.000 0.915 139 D HN 0.035 8.434 8.370 0.091 0.026 0.526 140 L N -2.200 119.084 121.223 0.102 0.000 2.567 140 L HA 0.214 4.586 4.340 0.054 0.000 0.225 140 L C 0.805 177.692 176.870 0.029 0.000 1.119 140 L CA -0.093 54.788 54.840 0.067 0.000 0.871 140 L CB -0.001 42.099 42.059 0.068 0.000 1.036 140 L HN -0.487 7.651 8.230 0.135 0.173 0.459 141 G N -2.194 106.629 108.800 0.038 0.000 2.136 141 G HA2 -0.381 3.583 3.960 0.006 0.000 0.242 141 G HA3 -0.381 3.591 3.960 0.019 0.000 0.242 141 G C -0.281 174.621 174.900 0.004 0.000 0.989 141 G CA 0.265 45.374 45.100 0.016 0.000 0.682 141 G HN -0.519 7.608 8.290 0.055 0.196 0.522 142 V N 2.066 121.992 119.914 0.020 0.000 2.530 142 V HA -0.115 3.983 4.120 -0.037 0.000 0.282 142 V C -1.051 175.047 176.094 0.006 0.000 1.048 142 V CA -0.096 62.202 62.300 -0.005 0.000 0.997 142 V CB -0.011 31.811 31.823 -0.002 0.000 0.987 142 V HN -0.472 7.714 8.190 0.052 0.035 0.477 143 K N 7.348 127.736 120.400 -0.020 0.000 2.575 143 K HA 0.290 4.721 4.320 -0.006 -0.115 0.236 143 K C -1.444 175.130 176.600 -0.043 0.000 0.976 143 K CA -1.021 55.255 56.287 -0.018 0.000 0.985 143 K CB 0.891 33.385 32.500 -0.011 0.000 1.198 143 K HN 0.255 8.483 8.250 -0.037 0.000 0.464 144 A N 4.668 127.460 122.820 -0.047 0.000 2.304 144 A HA 0.369 4.799 4.320 -0.097 -0.168 0.301 144 A C -0.135 177.406 177.584 -0.072 0.000 1.132 144 A CA -1.536 50.455 52.037 -0.078 0.000 0.819 144 A CB 1.897 20.845 19.000 -0.086 0.000 1.094 144 A HN 0.598 9.151 8.150 -0.032 -0.423 0.492 145 I N 1.987 122.510 120.570 -0.080 0.000 2.505 145 I HA -0.246 3.900 4.170 -0.040 0.000 0.287 145 I C -0.526 175.540 176.117 -0.084 0.000 1.104 145 I CA 0.678 61.943 61.300 -0.057 0.000 1.387 145 I CB 0.025 38.005 38.000 -0.033 0.000 1.404 145 I HN -0.204 7.947 8.210 -0.098 0.000 0.528 146 N N 9.230 127.867 118.700 -0.106 0.000 2.422 146 N HA 0.117 4.732 4.740 -0.209 0.000 0.264 146 N C -1.400 174.004 175.510 -0.177 0.000 1.063 146 N CA -0.149 52.786 53.050 -0.192 0.000 0.959 146 N CB 0.554 38.875 38.487 -0.277 0.000 1.087 146 N HN -0.039 8.290 8.380 -0.084 0.000 0.483 147 V N 4.624 124.460 119.914 -0.130 0.000 2.266 147 V HA 0.515 4.596 4.120 -0.065 0.000 0.266 147 V C -2.700 173.388 176.094 -0.010 0.000 1.036 147 V CA -4.242 58.049 62.300 -0.014 0.000 0.828 147 V CB 0.123 32.022 31.823 0.126 0.000 1.081 147 V HN 0.426 8.536 8.190 -0.133 0.000 0.449 148 P HA 0.080 4.402 4.420 0.016 0.107 0.297 148 P C -1.000 176.421 177.300 0.203 0.000 1.307 148 P CA -1.452 61.657 63.100 0.014 0.000 0.773 148 P CB 1.492 33.205 31.700 0.021 0.000 1.265 149 G N -3.342 105.559 108.800 0.168 0.000 2.459 149 G HA2 -0.268 3.808 3.960 0.193 0.000 0.685 149 G HA3 -0.268 3.842 3.960 0.067 -0.110 0.685 149 G C -2.339 172.631 174.900 0.117 0.000 1.303 149 G CA -0.596 44.587 45.100 0.138 0.000 0.907 149 G HN -0.502 7.873 8.290 0.142 0.000 0.632 150 C N 1.951 121.290 119.300 0.065 0.000 3.335 150 C HA 0.587 5.155 4.460 0.180 0.000 0.217 150 C C -1.710 173.327 174.990 0.078 0.000 1.330 150 C CA -2.729 56.368 59.018 0.132 0.000 1.470 150 C CB -1.976 25.898 27.740 0.223 0.000 1.806 150 C HN 0.038 8.269 8.230 0.002 0.000 0.468 151 P HA 0.488 5.106 4.420 0.140 -0.114 0.283 151 P C -2.440 174.951 177.300 0.152 0.000 1.278 151 P CA -1.863 61.310 63.100 0.121 0.000 0.834 151 P CB -0.368 31.405 31.700 0.121 0.000 1.150 152 P HA -0.080 4.484 4.420 0.240 0.000 0.272 152 P C -0.866 176.567 177.300 0.223 0.000 1.240 152 P CA -0.674 62.549 63.100 0.206 0.000 0.791 152 P CB 0.907 32.713 31.700 0.176 0.000 0.978 153 N N -0.287 118.521 118.700 0.179 0.000 2.454 153 N HA -0.056 4.808 4.740 0.206 0.000 0.260 153 N C 0.474 175.954 175.510 -0.051 0.000 1.218 153 N CA -1.181 51.894 53.050 0.042 0.000 0.904 153 N CB 1.166 39.488 38.487 -0.275 0.000 1.065 153 N HN 0.294 8.764 8.380 0.150 0.000 0.462 154 P HA -0.127 4.277 4.420 -0.027 0.000 0.219 154 P C 1.200 178.372 177.300 -0.214 0.000 1.146 154 P CA 2.219 65.277 63.100 -0.070 0.000 0.808 154 P CB 0.483 32.167 31.700 -0.026 0.000 0.779 155 L N -3.555 117.475 121.223 -0.322 0.000 2.079 155 L HA -0.416 3.666 4.340 -0.429 0.000 0.210 155 L C 1.518 177.999 176.870 -0.649 0.000 1.081 155 L CA 2.986 57.553 54.840 -0.455 0.000 0.752 155 L CB -0.571 41.211 42.059 -0.462 0.000 0.896 155 L HN -0.322 7.972 8.230 -0.286 -0.236 0.433 156 N N -2.230 116.044 118.700 -0.710 0.000 2.251 156 N HA -0.195 3.324 4.740 -2.035 0.000 0.181 156 N C 2.118 177.388 175.510 -0.400 0.000 1.019 156 N CA 2.296 54.742 53.050 -1.008 0.000 0.862 156 N CB -0.196 37.880 38.487 -0.686 0.000 0.992 156 N HN -0.700 7.247 8.380 -0.524 0.119 0.429 157 M N 0.604 120.103 119.600 -0.169 0.000 2.067 157 M HA -0.479 4.007 4.480 0.009 0.000 0.260 157 M C 1.874 178.157 176.300 -0.027 0.000 1.069 157 M CA 4.845 60.124 55.300 -0.035 0.000 1.117 157 M CB 0.013 32.624 32.600 0.019 0.000 1.334 157 M HN -0.590 7.600 8.290 -0.166 0.000 0.407 158 V N -2.369 117.506 119.914 -0.065 0.000 2.407 158 V HA -0.384 3.740 4.120 0.007 0.000 0.248 158 V C 2.116 178.202 176.094 -0.012 0.000 1.055 158 V CA 4.232 66.512 62.300 -0.034 0.000 1.049 158 V CB -1.238 30.541 31.823 -0.073 0.000 0.662 158 V HN 0.071 8.202 8.190 -0.098 0.000 0.455 159 G N -1.639 107.125 108.800 -0.061 0.000 2.422 159 G HA2 -0.298 3.835 3.960 0.138 0.000 0.218 159 G HA3 -0.298 3.714 3.960 0.086 0.000 0.218 159 G C 1.062 176.110 174.900 0.247 0.000 1.146 159 G CA 2.444 47.604 45.100 0.100 0.000 0.769 159 G HN -0.353 7.832 8.290 -0.176 0.000 0.547 160 T N 4.829 119.534 114.554 0.251 0.000 2.777 160 T HA -0.328 4.216 4.350 0.323 0.000 0.266 160 T C 1.416 176.222 174.700 0.177 0.000 1.040 160 T CA 5.372 67.631 62.100 0.266 0.000 1.141 160 T CB -0.172 68.836 68.868 0.234 0.000 0.868 160 T HN -0.585 7.731 8.240 0.148 0.013 0.444 161 L N 1.171 122.466 121.223 0.120 0.000 1.989 161 L HA -0.279 4.121 4.340 0.100 0.000 0.211 161 L C 1.265 178.232 176.870 0.163 0.000 1.071 161 L CA 3.323 58.231 54.840 0.114 0.000 0.749 161 L CB -0.444 41.661 42.059 0.077 0.000 0.890 161 L HN -0.526 7.688 8.230 0.097 0.074 0.431 162 V N -1.301 118.686 119.914 0.122 0.000 2.261 162 V HA -0.572 3.608 4.120 0.099 0.000 0.246 162 V C 1.830 177.988 176.094 0.106 0.000 1.047 162 V CA 3.772 66.132 62.300 0.101 0.000 1.015 162 V CB -1.257 30.603 31.823 0.062 0.000 0.642 162 V HN -0.056 8.196 8.190 0.103 0.000 0.446 163 A N 0.459 123.349 122.820 0.117 0.000 1.896 163 A HA -0.415 3.940 4.320 0.059 0.000 0.220 163 A C 1.776 179.424 177.584 0.107 0.000 1.206 163 A CA 3.248 55.344 52.037 0.099 0.000 0.647 163 A CB -0.976 18.095 19.000 0.117 0.000 0.828 163 A HN -0.510 7.716 8.150 0.127 0.000 0.455 164 F N -0.539 119.425 119.950 0.023 0.000 2.102 164 F HA -0.309 4.220 4.527 0.004 0.000 0.298 164 F C 2.542 178.345 175.800 0.005 0.000 1.105 164 F CA 3.436 61.441 58.000 0.009 0.000 1.239 164 F CB 0.328 39.333 39.000 0.008 0.000 0.991 164 F HN -0.657 7.827 8.300 0.307 0.000 0.474 165 L N -1.178 120.136 121.223 0.151 0.000 2.127 165 L HA -0.417 3.941 4.340 0.030 0.000 0.211 165 L C 1.656 178.478 176.870 -0.079 0.000 1.089 165 L CA 2.574 57.440 54.840 0.043 0.000 0.757 165 L CB -0.273 41.856 42.059 0.116 0.000 0.899 165 L HN -0.422 7.968 8.230 0.267 0.000 0.434 166 K N -4.057 116.310 120.400 -0.056 0.000 2.487 166 K HA -0.031 4.255 4.320 -0.055 0.000 0.192 166 K C 0.717 177.248 176.600 -0.114 0.000 1.027 166 K CA -0.041 56.208 56.287 -0.064 0.000 1.054 166 K CB -0.028 32.457 32.500 -0.025 0.000 0.824 166 K HN -0.296 7.920 8.250 -0.014 0.026 0.510 167 G N -0.346 108.326 108.800 -0.213 0.000 2.258 167 G HA2 -0.413 3.420 3.960 -0.213 0.000 0.274 167 G HA3 -0.413 3.378 3.960 -0.363 -0.049 0.274 167 G C -0.035 174.782 174.900 -0.139 0.000 1.021 167 G CA 0.894 45.849 45.100 -0.242 0.000 0.798 167 G HN -0.164 7.743 8.290 -0.273 0.219 0.507 168 Q N -0.962 118.781 119.800 -0.094 0.000 2.373 168 Q HA -0.144 4.164 4.340 -0.053 0.000 0.255 168 Q C -0.348 175.628 176.000 -0.039 0.000 0.980 168 Q CA 0.271 56.043 55.803 -0.052 0.000 0.882 168 Q CB 0.966 29.688 28.738 -0.027 0.000 1.249 168 Q HN -0.535 7.628 8.270 -0.092 0.052 0.438 169 K N 1.318 121.699 120.400 -0.032 0.000 2.237 169 K HA -0.013 4.300 4.320 -0.012 0.000 0.270 169 K C -0.281 176.316 176.600 -0.006 0.000 1.015 169 K CA 0.146 56.422 56.287 -0.017 0.000 0.949 169 K CB 0.683 33.170 32.500 -0.022 0.000 0.976 169 K HN 0.192 8.420 8.250 -0.036 0.000 0.472 170 I N 1.691 122.271 120.570 0.017 0.000 2.420 170 I HA 0.079 4.243 4.170 -0.010 0.000 0.282 170 I C -0.805 175.317 176.117 0.009 0.000 1.019 170 I CA -0.827 60.483 61.300 0.016 0.000 1.130 170 I CB 0.987 39.023 38.000 0.062 0.000 1.262 170 I HN 0.096 8.322 8.210 0.026 0.000 0.454 171 E N 8.671 128.863 120.200 -0.013 0.000 2.344 171 E HA -0.017 4.331 4.350 -0.003 0.000 0.270 171 E C -1.429 175.174 176.600 0.005 0.000 1.021 171 E CA -0.237 56.158 56.400 -0.009 0.000 0.887 171 E CB 0.971 30.658 29.700 -0.021 0.000 0.997 171 E HN 0.124 8.466 8.360 -0.030 0.000 0.429 172 L N 4.707 125.936 121.223 0.010 0.000 2.330 172 L HA 0.371 4.919 4.340 0.031 -0.189 0.271 172 L C 0.182 177.055 176.870 0.005 0.000 1.013 172 L CA -1.710 53.140 54.840 0.017 0.000 0.816 172 L CB 2.191 44.259 42.059 0.015 0.000 1.287 172 L HN 0.209 8.443 8.230 0.006 0.000 0.435 173 D N 1.231 121.633 120.400 0.003 0.000 2.478 173 D HA 0.046 4.671 4.640 -0.024 0.000 0.269 173 D C 0.819 177.104 176.300 -0.025 0.000 1.232 173 D CA -1.922 52.065 54.000 -0.022 0.000 1.059 173 D CB 0.637 41.410 40.800 -0.045 0.000 1.104 173 D HN 0.201 8.579 8.370 0.014 0.000 0.566 174 E N -2.336 117.838 120.200 -0.044 0.000 2.333 174 E HA -0.151 4.185 4.350 -0.022 0.000 0.198 174 E C -0.045 176.543 176.600 -0.019 0.000 1.007 174 E CA 2.073 58.453 56.400 -0.034 0.000 0.845 174 E CB 0.020 29.690 29.700 -0.050 0.000 0.766 174 E HN 0.265 8.588 8.360 -0.062 0.000 0.507 175 V N -6.842 113.062 119.914 -0.017 0.000 3.006 175 V HA 0.423 4.576 4.120 0.056 0.000 0.357 175 V C -0.149 176.005 176.094 0.099 0.000 1.377 175 V CA -1.961 60.367 62.300 0.046 0.000 1.198 175 V CB -0.895 30.920 31.823 -0.013 0.000 1.216 175 V HN -0.457 7.928 8.190 -0.035 -0.217 0.520 176 G N 1.547 110.367 108.800 0.033 0.000 2.159 176 G HA2 -0.479 3.488 3.960 0.011 0.000 0.256 176 G HA3 -0.479 3.485 3.960 0.007 0.000 0.256 176 G C -1.068 173.820 174.900 -0.021 0.000 0.977 176 G CA 0.696 45.802 45.100 0.010 0.000 0.652 176 G HN 0.040 8.199 8.290 0.016 0.141 0.531 177 R N 0.578 121.053 120.500 -0.042 0.000 2.297 177 R HA 0.610 5.095 4.340 -0.144 -0.231 0.308 177 R C -2.069 174.283 176.300 0.087 0.000 1.029 177 R CA -3.234 52.806 56.100 -0.101 0.000 0.929 177 R CB 0.372 30.461 30.300 -0.352 0.000 1.046 177 R HN -0.454 8.036 8.270 -0.027 -0.237 0.461 178 P HA -0.127 4.555 4.420 0.107 -0.198 0.261 178 P C 0.317 177.751 177.300 0.224 0.000 1.203 178 P CA 0.313 63.538 63.100 0.208 0.000 0.767 178 P CB 0.140 32.002 31.700 0.270 0.000 0.785 179 V N 5.659 125.618 119.914 0.076 0.000 2.490 179 V HA -0.430 3.762 4.120 0.121 0.000 0.250 179 V C 1.694 177.762 176.094 -0.044 0.000 1.061 179 V CA 3.984 66.314 62.300 0.051 0.000 1.064 179 V CB -0.575 31.252 31.823 0.006 0.000 0.670 179 V HN 0.252 8.466 8.190 0.040 0.000 0.461 180 M N -2.591 116.879 119.600 -0.217 0.000 2.446 180 M HA -0.297 4.014 4.480 -0.282 0.000 0.263 180 M C 0.621 176.605 176.300 -0.526 0.000 1.066 180 M CA 3.299 58.337 55.300 -0.436 0.000 1.087 180 M CB -0.350 31.850 32.600 -0.667 0.000 1.406 180 M HN -0.188 7.952 8.290 -0.209 0.025 0.459 181 F N -4.808 115.103 119.950 -0.064 0.000 2.711 181 F HA 0.103 4.455 4.527 -0.291 0.000 0.296 181 F C 0.126 175.633 175.800 -0.488 0.000 1.096 181 F CA -0.046 57.756 58.000 -0.331 0.000 1.280 181 F CB 2.179 40.876 39.000 -0.506 0.000 1.060 181 F HN -0.654 7.405 8.300 -0.156 0.147 0.608 182 F N -5.235 114.819 119.950 0.174 0.000 2.683 182 F HA 0.267 4.905 4.527 0.186 0.000 0.306 182 F C 0.749 176.650 175.800 0.168 0.000 1.102 182 F CA -0.215 57.888 58.000 0.172 0.000 1.244 182 F CB 0.833 39.932 39.000 0.165 0.000 1.029 182 F HN -0.399 8.072 8.300 0.285 0.000 0.545 183 G N -2.206 106.724 108.800 0.216 0.000 2.534 183 G HA2 -0.153 3.937 3.960 0.096 0.000 0.217 183 G HA3 -0.153 3.897 3.960 0.149 0.000 0.217 183 G C -0.794 174.249 174.900 0.237 0.000 1.128 183 G CA 0.460 45.660 45.100 0.166 0.000 0.784 183 G HN -0.548 7.827 8.290 0.142 0.000 0.542 184 Q N -1.323 118.620 119.800 0.237 0.000 2.387 184 Q HA 0.267 4.738 4.340 0.219 0.000 0.273 184 Q C -1.229 174.792 176.000 0.035 0.000 1.089 184 Q CA -2.094 53.809 55.803 0.166 0.000 0.824 184 Q CB 3.445 32.199 28.738 0.026 0.000 1.367 184 Q HN -0.593 7.747 8.270 0.193 0.046 0.443 185 S N 0.522 116.079 115.700 -0.237 0.000 2.585 185 S HA 0.037 4.139 4.470 -0.859 -0.148 0.273 185 S C 1.420 175.880 174.600 -0.234 0.000 1.339 185 S CA -0.824 57.041 58.200 -0.559 0.000 1.028 185 S CB 1.283 64.125 63.200 -0.597 0.000 0.906 185 S HN 0.385 8.622 8.310 -0.121 0.000 0.528 186 V N 2.167 121.968 119.914 -0.189 0.000 2.278 186 V HA -0.444 3.578 4.120 -0.164 0.000 0.251 186 V C 2.346 178.411 176.094 -0.048 0.000 1.062 186 V CA 4.267 66.507 62.300 -0.101 0.000 1.038 186 V CB -0.615 31.221 31.823 0.022 0.000 0.646 186 V HN 0.505 8.556 8.190 -0.232 0.000 0.447 187 H N 0.307 119.304 119.070 -0.122 0.000 2.387 187 H HA -0.306 4.215 4.556 -0.059 0.000 0.299 187 H C 1.715 176.964 175.328 -0.132 0.000 1.099 187 H CA 3.479 59.454 56.048 -0.122 0.000 1.315 187 H CB 0.020 29.663 29.762 -0.199 0.000 1.380 187 H HN -0.655 7.639 8.280 0.039 0.009 0.513 188 D N -1.748 118.568 120.400 -0.140 0.000 2.347 188 D HA 0.027 4.532 4.640 -0.226 0.000 0.215 188 D C 0.996 177.199 176.300 -0.162 0.000 0.976 188 D CA 2.197 56.097 54.000 -0.167 0.000 0.884 188 D CB -0.195 40.554 40.800 -0.086 0.000 0.915 188 D HN -0.338 7.872 8.370 -0.092 0.104 0.526 189 L N -2.591 118.530 121.223 -0.169 0.000 2.590 189 L HA 0.137 4.382 4.340 -0.159 0.000 0.227 189 L C -0.182 176.575 176.870 -0.187 0.000 1.099 189 L CA -0.157 54.571 54.840 -0.188 0.000 0.872 189 L CB 0.964 42.879 42.059 -0.240 0.000 1.088 189 L HN -0.657 7.292 8.230 -0.164 0.183 0.479 190 C N 1.357 120.580 119.300 -0.129 0.000 2.632 190 C HA 0.001 4.495 4.460 0.057 0.000 0.415 190 C C 1.886 176.922 174.990 0.077 0.000 1.332 190 C CA -0.592 58.457 59.018 0.052 0.000 1.874 190 C CB 1.067 28.937 27.740 0.217 0.000 2.596 190 C HN -0.452 7.692 8.230 -0.143 0.000 0.590 191 E N 7.473 127.788 120.200 0.193 0.000 2.418 191 E HA -0.252 4.140 4.350 0.069 0.000 0.197 191 E C 0.522 177.216 176.600 0.157 0.000 1.026 191 E CA 2.476 58.964 56.400 0.146 0.000 0.862 191 E CB -0.753 29.060 29.700 0.187 0.000 0.799 191 E HN 0.465 9.008 8.360 0.305 0.000 0.518 192 R N -2.413 118.217 120.500 0.217 0.000 2.359 192 R HA 0.205 4.733 4.340 0.313 0.000 0.231 192 R C 0.922 177.321 176.300 0.166 0.000 0.913 192 R CA -0.368 55.888 56.100 0.259 0.000 1.075 192 R CB -0.014 30.471 30.300 0.309 0.000 1.087 192 R HN -0.842 7.532 8.270 0.261 0.053 0.515 193 R N 0.640 121.164 120.500 0.040 0.000 2.152 193 R HA -0.321 4.000 4.340 -0.032 0.000 0.232 193 R C 0.980 177.266 176.300 -0.023 0.000 1.117 193 R CA 2.406 58.473 56.100 -0.055 0.000 0.981 193 R CB -0.625 29.542 30.300 -0.221 0.000 0.870 193 R HN -0.579 7.620 8.270 0.031 0.090 0.451 194 K N -3.411 116.922 120.400 -0.112 0.000 2.155 194 K HA -0.215 4.017 4.320 -0.146 0.000 0.203 194 K C 1.611 178.025 176.600 -0.310 0.000 1.052 194 K CA 2.981 59.141 56.287 -0.211 0.000 0.948 194 K CB -0.845 31.492 32.500 -0.271 0.000 0.728 194 K HN 0.030 8.178 8.250 -0.107 0.038 0.448 195 H N 1.273 120.243 119.070 -0.166 0.000 2.321 195 H HA -0.148 4.279 4.556 -0.500 -0.171 0.300 195 H C 2.312 177.408 175.328 -0.388 0.000 1.087 195 H CA 2.941 58.772 56.048 -0.362 0.000 1.319 195 H CB -0.251 29.306 29.762 -0.341 0.000 1.379 195 H HN -0.847 7.238 8.280 -0.325 0.000 0.501 196 F N 1.160 120.995 119.950 -0.190 0.000 2.065 196 F HA -0.497 3.763 4.527 -0.444 0.000 0.298 196 F C 2.172 177.853 175.800 -0.198 0.000 1.112 196 F CA 3.604 61.489 58.000 -0.193 0.000 1.212 196 F CB 0.078 39.165 39.000 0.146 0.000 0.975 196 F HN -0.388 8.033 8.300 0.202 0.000 0.476 197 D N 0.501 120.952 120.400 0.086 0.000 2.221 197 D HA -0.250 4.429 4.640 0.066 0.000 0.204 197 D C 1.048 177.252 176.300 -0.160 0.000 0.982 197 D CA 3.057 57.058 54.000 0.002 0.000 0.857 197 D CB -0.547 40.267 40.800 0.022 0.000 0.934 197 D HN -0.134 8.336 8.370 0.167 0.000 0.475 198 A N -3.651 119.018 122.820 -0.253 0.000 2.275 198 A HA 0.114 4.308 4.320 -0.210 0.000 0.212 198 A C 0.143 177.509 177.584 -0.363 0.000 1.201 198 A CA -0.011 51.858 52.037 -0.280 0.000 0.843 198 A CB 0.003 18.823 19.000 -0.300 0.000 0.873 198 A HN -0.668 7.176 8.150 -0.264 0.148 0.492 199 G N -1.314 107.163 108.800 -0.538 0.000 2.137 199 G HA2 -0.393 3.412 3.960 -0.258 0.000 0.237 199 G HA3 -0.393 3.242 3.960 -0.542 0.000 0.237 199 G C -0.472 174.029 174.900 -0.665 0.000 1.002 199 G CA -0.131 44.655 45.100 -0.524 0.000 0.702 199 G HN -0.295 7.453 8.290 -0.617 0.171 0.515 200 E N 1.639 121.277 120.200 -0.937 0.000 1.998 200 E HA 0.193 4.156 4.350 -0.644 0.000 0.257 200 E C -1.598 174.662 176.600 -0.567 0.000 1.038 200 E CA -1.616 54.259 56.400 -0.874 0.000 0.869 200 E CB 0.030 28.913 29.700 -1.363 0.000 1.135 200 E HN -0.273 7.468 8.360 -0.966 0.039 0.430 201 F N 1.810 121.883 119.950 0.205 0.000 2.522 201 F HA 0.396 5.235 4.527 0.246 -0.164 0.324 201 F C 0.067 176.031 175.800 0.272 0.000 1.077 201 F CA -2.032 56.112 58.000 0.240 0.000 0.944 201 F CB 3.060 42.148 39.000 0.147 0.000 1.175 201 F HN -0.512 7.882 8.300 0.156 0.000 0.468 202 A N 3.056 126.093 122.820 0.362 0.000 2.404 202 A HA 0.324 4.705 4.320 0.103 0.000 0.273 202 A C -1.740 175.873 177.584 0.048 0.000 1.144 202 A CA -2.391 49.724 52.037 0.129 0.000 0.806 202 A CB 0.049 19.060 19.000 0.019 0.000 1.080 202 A HN 0.465 8.845 8.150 0.382 0.000 0.509 203 P HA 0.045 4.461 4.420 -0.006 0.000 0.227 203 P C -1.105 176.125 177.300 -0.117 0.000 1.161 203 P CA 0.452 63.537 63.100 -0.026 0.000 0.788 203 P CB 0.813 32.513 31.700 0.001 0.000 0.822 204 S N -3.109 112.484 115.700 -0.178 0.000 2.636 204 S HA 0.039 4.286 4.470 -0.372 0.000 0.268 204 S C -1.275 173.139 174.600 -0.309 0.000 1.159 204 S CA -0.501 57.542 58.200 -0.261 0.000 0.815 204 S CB 1.234 64.366 63.200 -0.112 0.000 1.130 204 S HN -0.921 7.264 8.310 -0.151 0.034 0.471 205 F N -1.972 117.955 119.950 -0.038 0.000 2.206 205 F HA -0.171 4.338 4.527 -0.030 0.000 0.298 205 F C 1.188 176.962 175.800 -0.042 0.000 1.090 205 F CA 2.249 60.225 58.000 -0.040 0.000 1.323 205 F CB 0.174 39.142 39.000 -0.055 0.000 1.028 205 F HN -0.065 8.161 8.300 -0.123 0.000 0.492 206 N N 0.692 119.456 118.700 0.106 0.000 3.124 206 N HA 0.003 4.769 4.740 0.044 0.000 0.284 206 N C -1.475 174.028 175.510 -0.011 0.000 1.209 206 N CA -0.197 52.877 53.050 0.040 0.000 1.149 206 N CB -1.038 37.466 38.487 0.029 0.000 1.434 206 N HN -0.156 8.289 8.380 0.109 0.000 0.529 207 S N 1.444 117.122 115.700 -0.037 0.000 2.579 207 S HA 0.283 4.711 4.470 -0.069 0.000 0.272 207 S C 0.049 174.573 174.600 -0.127 0.000 1.141 207 S CA -1.006 57.147 58.200 -0.079 0.000 0.843 207 S CB 2.761 65.909 63.200 -0.086 0.000 1.122 207 S HN -0.514 7.739 8.310 -0.024 0.042 0.468 208 E N 2.147 122.247 120.200 -0.166 0.000 2.153 208 E HA -0.363 3.872 4.350 -0.191 0.000 0.194 208 E C 1.876 178.231 176.600 -0.408 0.000 0.988 208 E CA 3.457 59.715 56.400 -0.236 0.000 0.811 208 E CB -0.171 29.393 29.700 -0.226 0.000 0.746 208 E HN 0.615 8.888 8.360 -0.144 0.000 0.466 209 E N -0.903 119.014 120.200 -0.472 0.000 2.077 209 E HA -0.274 3.248 4.350 -1.380 0.000 0.193 209 E C 1.739 178.075 176.600 -0.441 0.000 0.989 209 E CA 3.033 58.992 56.400 -0.736 0.000 0.800 209 E CB -0.836 28.649 29.700 -0.359 0.000 0.746 209 E HN 0.288 8.420 8.360 -0.348 0.019 0.452 210 A N -0.660 122.036 122.820 -0.207 0.000 1.898 210 A HA -0.253 4.043 4.320 -0.040 0.000 0.216 210 A C 2.245 179.776 177.584 -0.087 0.000 1.181 210 A CA 2.851 54.839 52.037 -0.083 0.000 0.620 210 A CB -0.567 18.422 19.000 -0.018 0.000 0.819 210 A HN -0.669 7.366 8.150 -0.191 0.000 0.442 211 R N -0.961 119.463 120.500 -0.126 0.000 2.096 211 R HA -0.261 4.048 4.340 -0.051 0.000 0.235 211 R C 1.902 178.132 176.300 -0.117 0.000 1.127 211 R CA 2.594 58.636 56.100 -0.097 0.000 0.968 211 R CB 0.091 30.331 30.300 -0.101 0.000 0.861 211 R HN -0.213 7.967 8.270 -0.150 0.000 0.440 212 K N -4.771 115.488 120.400 -0.236 0.000 2.486 212 K HA -0.060 4.189 4.320 -0.117 0.000 0.194 212 K C -0.234 176.325 176.600 -0.069 0.000 1.033 212 K CA 0.119 56.275 56.287 -0.218 0.000 1.004 212 K CB 0.329 32.521 32.500 -0.513 0.000 0.798 212 K HN -0.559 7.380 8.250 -0.333 0.111 0.495 213 G N -1.490 107.278 108.800 -0.052 0.000 2.165 213 G HA2 -0.252 3.767 3.960 0.099 0.000 0.226 213 G HA3 -0.252 3.742 3.960 0.058 0.000 0.226 213 G C -0.040 174.922 174.900 0.103 0.000 1.035 213 G CA -0.044 45.094 45.100 0.062 0.000 0.744 213 G HN -0.442 7.597 8.290 -0.099 0.192 0.501 214 W N -1.838 119.294 121.300 -0.280 0.000 2.030 214 W HA 0.008 4.126 4.660 -0.903 0.000 0.371 214 W C -0.427 176.041 176.519 -0.086 0.000 1.456 214 W CA -2.373 54.715 57.345 -0.429 0.000 1.570 214 W CB 0.459 29.712 29.460 -0.345 0.000 1.249 214 W HN -0.470 7.747 8.180 0.062 0.000 0.677 215 C N -1.126 118.317 119.300 0.239 0.000 2.657 215 C HA -0.022 4.638 4.460 0.334 0.000 0.420 215 C C 0.180 175.420 174.990 0.417 0.000 1.323 215 C CA 0.504 59.738 59.018 0.360 0.000 1.894 215 C CB 0.140 28.140 27.740 0.434 0.000 2.681 215 C HN 0.017 8.330 8.230 0.139 0.000 0.613 216 L N 4.762 126.204 121.223 0.364 0.000 2.700 216 L HA 0.175 4.626 4.340 0.185 0.000 0.234 216 L C 0.959 177.983 176.870 0.257 0.000 1.156 216 L CA -0.403 54.584 54.840 0.245 0.000 0.946 216 L CB -0.676 41.480 42.059 0.162 0.000 1.216 216 L HN 0.264 8.713 8.230 0.365 0.000 0.493 217 Y N 2.216 122.697 120.300 0.302 0.000 2.165 217 Y HA -0.457 4.193 4.550 0.166 0.000 0.286 217 Y C 1.148 177.062 175.900 0.023 0.000 1.155 217 Y CA 4.153 62.370 58.100 0.194 0.000 1.164 217 Y CB 0.125 38.779 38.460 0.323 0.000 0.978 217 Y HN -0.871 7.756 8.280 0.689 0.067 0.513 218 D N -4.054 116.379 120.400 0.056 0.000 2.348 218 D HA -0.123 4.438 4.640 -0.131 0.000 0.216 218 D C 0.771 177.008 176.300 -0.106 0.000 0.970 218 D CA 2.487 56.435 54.000 -0.087 0.000 0.889 218 D CB -0.431 40.320 40.800 -0.082 0.000 0.912 218 D HN 0.330 8.811 8.370 0.184 0.000 0.524 219 V N -8.728 111.126 119.914 -0.100 0.000 3.177 219 V HA 0.331 4.398 4.120 -0.089 0.000 0.342 219 V C -0.084 176.024 176.094 0.023 0.000 1.379 219 V CA -1.863 60.371 62.300 -0.110 0.000 1.191 219 V CB -1.588 29.981 31.823 -0.423 0.000 1.167 219 V HN -0.824 7.291 8.190 -0.056 0.041 0.471 220 G N -0.715 108.034 108.800 -0.086 0.000 2.192 220 G HA2 -0.324 3.800 3.960 -0.022 0.000 0.193 220 G HA3 -0.324 3.588 3.960 -0.156 -0.046 0.193 220 G C -1.292 173.536 174.900 -0.121 0.000 0.999 220 G CA -0.125 44.914 45.100 -0.101 0.000 0.659 220 G HN -0.360 7.648 8.290 -0.168 0.181 0.503 221 C N 2.346 121.596 119.300 -0.082 0.000 2.592 221 C HA -0.163 4.448 4.460 0.037 -0.129 0.408 221 C C 1.178 176.170 174.990 0.004 0.000 1.436 221 C CA 0.289 59.320 59.018 0.022 0.000 1.595 221 C CB -1.162 26.669 27.740 0.152 0.000 2.487 221 C HN -0.486 7.702 8.230 -0.070 0.000 0.610 222 K N 7.665 128.089 120.400 0.040 0.000 2.410 222 K HA 0.204 4.548 4.320 0.040 0.000 0.200 222 K C 1.581 178.217 176.600 0.060 0.000 1.023 222 K CA -1.020 55.297 56.287 0.050 0.000 1.149 222 K CB -1.212 31.324 32.500 0.059 0.000 0.859 222 K HN -0.074 8.204 8.250 0.047 0.000 0.514 223 G N 1.431 110.291 108.800 0.101 0.000 2.574 223 G HA2 -0.251 3.819 3.960 0.183 0.000 0.220 223 G HA3 -0.251 3.776 3.960 0.111 0.000 0.220 223 G C -0.840 174.060 174.900 -0.000 0.000 1.173 223 G CA 3.072 48.237 45.100 0.109 0.000 0.772 223 G HN -0.423 7.864 8.290 0.128 0.080 0.585 224 P HA -0.145 4.081 4.420 -0.323 0.000 0.219 224 P C -0.318 176.907 177.300 -0.126 0.000 1.146 224 P CA 1.567 64.506 63.100 -0.268 0.000 0.808 224 P CB -0.193 31.276 31.700 -0.385 0.000 0.779 225 E N -7.841 112.334 120.200 -0.042 0.000 2.501 225 E HA 0.140 4.519 4.350 0.049 0.000 0.201 225 E C -0.734 175.887 176.600 0.035 0.000 1.016 225 E CA -1.124 55.292 56.400 0.027 0.000 0.920 225 E CB 0.617 30.362 29.700 0.076 0.000 1.023 225 E HN -0.286 7.921 8.360 -0.016 0.143 0.474 226 T N 3.510 118.008 114.554 -0.092 0.000 2.779 226 T HA 0.273 4.808 4.350 0.095 -0.128 0.280 226 T C -2.214 172.374 174.700 -0.186 0.000 0.987 226 T CA 0.086 62.170 62.100 -0.027 0.000 0.966 226 T CB 1.780 70.648 68.868 0.000 0.000 0.933 226 T HN -0.511 7.475 8.240 -0.139 0.171 0.442 227 Y N 6.679 127.042 120.300 0.105 0.000 2.417 227 Y HA 0.233 4.994 4.550 0.120 -0.139 0.336 227 Y C -0.874 175.196 175.900 0.284 0.000 0.961 227 Y CA -0.572 57.624 58.100 0.161 0.000 1.215 227 Y CB 0.818 39.378 38.460 0.166 0.000 1.120 227 Y HN 0.267 9.054 8.280 0.365 -0.288 0.499 228 N N 2.270 121.098 118.700 0.213 0.000 3.185 228 N HA 0.099 4.820 4.740 -0.032 0.000 0.238 228 N C -2.353 173.080 175.510 -0.127 0.000 1.451 228 N CA -0.157 52.922 53.050 0.048 0.000 0.888 228 N CB 4.196 42.749 38.487 0.110 0.000 1.413 228 N HN -0.555 7.883 8.380 0.097 0.000 0.511 229 N N -1.240 117.309 118.700 -0.250 0.000 2.275 229 N HA 0.288 4.890 4.740 -0.229 0.000 0.236 229 N C 0.697 175.999 175.510 -0.347 0.000 1.154 229 N CA -0.547 52.344 53.050 -0.265 0.000 0.866 229 N CB -1.163 37.180 38.487 -0.241 0.000 1.093 229 N HN 0.245 8.439 8.380 -0.311 0.000 0.515 230 C N -0.269 118.836 119.300 -0.325 0.000 2.385 230 C HA -0.193 3.998 4.460 -0.450 0.000 0.275 230 C C 0.371 174.941 174.990 -0.700 0.000 1.207 230 C CA 4.622 63.415 59.018 -0.374 0.000 1.760 230 C CB -2.261 25.503 27.740 0.039 0.000 2.051 230 C HN 0.473 8.491 8.230 -0.227 0.076 0.467 231 P HA -0.113 2.986 4.420 -2.201 0.000 0.225 231 P C -0.229 176.683 177.300 -0.647 0.000 1.156 231 P CA 1.217 63.456 63.100 -1.434 0.000 0.787 231 P CB -0.627 30.274 31.700 -1.332 0.000 0.802 232 K N -3.007 117.122 120.400 -0.452 0.000 2.128 232 K HA -0.117 4.063 4.320 -0.233 0.000 0.202 232 K C 1.071 177.538 176.600 -0.221 0.000 1.050 232 K CA 2.051 58.176 56.287 -0.270 0.000 0.966 232 K CB 1.129 33.502 32.500 -0.211 0.000 0.759 232 K HN -0.561 7.361 8.250 -0.473 0.044 0.454 233 V N -5.929 113.826 119.914 -0.266 0.000 3.471 233 V HA 0.149 4.183 4.120 -0.143 0.000 0.258 233 V C -0.310 175.661 176.094 -0.205 0.000 1.192 233 V CA 0.136 62.309 62.300 -0.210 0.000 1.116 233 V CB 1.408 33.087 31.823 -0.239 0.000 0.792 233 V HN -0.441 7.554 8.190 -0.326 0.000 0.459 234 L N -4.156 116.898 121.223 -0.282 0.000 0.644 234 L HA -0.446 3.932 4.340 -0.122 -0.111 0.356 234 L C -0.452 176.208 176.870 -0.349 0.000 1.009 234 L CA 0.989 55.724 54.840 -0.175 0.000 1.223 234 L CB -1.170 40.895 42.059 0.010 0.000 0.099 234 L HN -0.706 7.312 8.230 -0.353 0.000 0.100 235 F N -0.323 119.689 119.950 0.104 0.000 2.443 235 F HA 0.177 4.761 4.527 0.094 0.000 0.335 235 F C 0.167 176.022 175.800 0.092 0.000 1.104 235 F CA 0.067 58.127 58.000 0.099 0.000 1.013 235 F CB 1.962 41.021 39.000 0.099 0.000 1.136 235 F HN 0.313 8.787 8.300 0.290 0.000 0.470 236 N N 0.840 119.700 118.700 0.266 0.000 2.721 236 N HA -0.391 4.435 4.740 0.144 0.000 0.249 236 N C -1.090 174.437 175.510 0.028 0.000 1.072 236 N CA 0.741 53.879 53.050 0.147 0.000 0.710 236 N CB -1.463 37.108 38.487 0.141 0.000 0.993 236 N HN 0.630 9.194 8.380 0.307 0.000 0.547 237 E N -8.793 111.409 120.200 0.004 0.000 2.805 237 E HA -0.457 3.883 4.350 -0.016 0.000 0.266 237 E C -0.423 176.176 176.600 -0.000 0.000 1.092 237 E CA 1.551 57.912 56.400 -0.065 0.000 0.781 237 E CB -1.731 27.805 29.700 -0.273 0.000 1.379 237 E HN 0.316 8.706 8.360 0.087 0.022 0.433 238 T N -4.187 110.407 114.554 0.068 0.000 3.177 238 T HA 0.091 4.479 4.350 0.063 0.000 0.267 238 T C -1.181 173.604 174.700 0.142 0.000 0.858 238 T CA 0.182 62.331 62.100 0.081 0.000 0.846 238 T CB 1.615 70.516 68.868 0.055 0.000 1.256 238 T HN -0.023 8.143 8.240 0.103 0.136 0.601 239 N N -0.599 118.231 118.700 0.216 0.000 3.020 239 N HA 0.302 5.216 4.740 0.291 0.000 0.248 239 N C -2.752 173.048 175.510 0.482 0.000 1.480 239 N CA -0.480 52.739 53.050 0.282 0.000 0.874 239 N CB 2.331 40.921 38.487 0.171 0.000 1.433 239 N HN -0.386 8.132 8.380 0.231 0.000 0.530 240 W N -2.408 118.998 121.300 0.177 0.000 3.066 240 W HA 0.557 5.423 4.660 0.343 0.000 0.330 240 W C -2.659 173.938 176.519 0.131 0.000 1.253 240 W CA -1.727 55.763 57.345 0.241 0.000 1.187 240 W CB -0.247 29.364 29.460 0.252 0.000 1.434 240 W HN -0.166 8.203 8.180 0.315 0.000 0.572 241 P HA -0.348 3.987 4.420 -0.142 0.000 0.214 241 P C 1.036 178.070 177.300 -0.443 0.000 1.163 241 P CA 2.617 65.599 63.100 -0.196 0.000 0.889 241 P CB 0.048 31.695 31.700 -0.087 0.000 0.790 242 V N -3.407 115.907 119.914 -0.999 0.000 2.407 242 V HA -0.304 3.721 4.120 -0.413 -0.153 0.248 242 V C 2.618 178.321 176.094 -0.653 0.000 1.055 242 V CA 3.425 65.215 62.300 -0.850 0.000 1.049 242 V CB -0.701 30.474 31.823 -1.079 0.000 0.662 242 V HN 0.100 7.474 8.190 -1.361 0.000 0.455 243 A N -1.675 120.611 122.820 -0.890 0.000 2.119 243 A HA -0.135 4.069 4.320 -0.194 0.000 0.217 243 A C 0.083 177.579 177.584 -0.148 0.000 1.153 243 A CA 1.791 53.632 52.037 -0.327 0.000 0.692 243 A CB -0.612 18.307 19.000 -0.135 0.000 0.799 243 A HN -0.581 6.645 8.150 -1.516 0.014 0.458 244 A N -3.755 118.964 122.820 -0.169 0.000 2.278 244 A HA 0.032 4.328 4.320 -0.039 0.000 0.212 244 A C 0.306 177.873 177.584 -0.028 0.000 1.213 244 A CA -0.123 51.872 52.037 -0.069 0.000 0.840 244 A CB -0.026 18.936 19.000 -0.063 0.000 0.866 244 A HN -0.666 7.179 8.150 -0.269 0.144 0.489 245 G N -1.308 107.471 108.800 -0.035 0.000 2.143 245 G HA2 -0.394 3.610 3.960 0.074 0.000 0.249 245 G HA3 -0.394 3.636 3.960 0.053 -0.039 0.249 245 G C -1.359 173.626 174.900 0.141 0.000 0.981 245 G CA 0.038 45.172 45.100 0.055 0.000 0.665 245 G HN -0.332 7.687 8.290 -0.100 0.210 0.528 246 H N 1.236 120.292 119.070 -0.022 0.000 2.495 246 H HA 0.472 5.134 4.556 0.177 0.000 0.348 246 H C -1.959 173.383 175.328 0.024 0.000 1.113 246 H CA -2.683 53.389 56.048 0.041 0.000 1.195 246 H CB 2.950 32.677 29.762 -0.058 0.000 1.521 246 H HN -0.340 7.967 8.280 0.044 0.000 0.509 247 P HA -0.179 4.290 4.420 0.081 0.000 0.267 247 P C -1.249 176.148 177.300 0.162 0.000 1.200 247 P CA 0.034 63.187 63.100 0.087 0.000 0.772 247 P CB 0.559 32.264 31.700 0.007 0.000 0.855 248 C N 1.849 121.204 119.300 0.091 0.000 2.642 248 C HA -0.056 4.435 4.460 0.052 0.000 0.420 248 C C 1.663 176.648 174.990 -0.009 0.000 1.349 248 C CA 0.537 59.595 59.018 0.066 0.000 1.821 248 C CB 0.656 28.480 27.740 0.139 0.000 2.637 248 C HN -0.020 8.266 8.230 0.094 0.000 0.605 249 I N 2.652 123.143 120.570 -0.131 0.000 3.976 249 I HA 0.257 4.390 4.170 -0.060 0.000 0.337 249 I C -0.278 175.764 176.117 -0.125 0.000 1.359 249 I CA -1.062 60.111 61.300 -0.211 0.000 1.098 249 I CB 0.258 37.816 38.000 -0.735 0.000 1.027 249 I HN 0.187 8.299 8.210 -0.164 0.000 0.394 250 G N 0.546 109.231 108.800 -0.192 0.000 2.212 250 G HA2 -0.324 3.590 3.960 -0.077 0.000 0.255 250 G HA3 -0.324 3.556 3.960 -0.133 0.000 0.255 250 G C 0.479 174.967 174.900 -0.686 0.000 1.062 250 G CA 0.749 45.716 45.100 -0.223 0.000 0.815 250 G HN -0.531 7.598 8.290 -0.159 0.065 0.497 251 C N -4.299 114.424 119.300 -0.961 0.000 2.491 251 C HA -0.078 2.003 4.460 -3.964 0.000 0.277 251 C C 0.348 174.842 174.990 -0.826 0.000 1.455 251 C CA -0.916 57.049 59.018 -1.755 0.000 1.758 251 C CB -1.870 25.272 27.740 -0.996 0.000 1.745 251 C HN 0.292 8.153 8.230 -0.616 0.000 0.558 252 S N -2.973 112.534 115.700 -0.321 0.000 2.557 252 S HA 0.033 4.603 4.470 0.046 -0.072 0.223 252 S C -0.359 174.283 174.600 0.070 0.000 0.969 252 S CA -0.485 57.719 58.200 0.007 0.000 0.927 252 S CB 0.395 63.724 63.200 0.215 0.000 0.806 252 S HN -0.362 7.714 8.310 -0.294 0.058 0.489 253 E N 3.048 123.246 120.200 -0.004 0.000 2.231 253 E HA 0.460 4.810 4.350 0.001 0.000 0.277 253 E C -2.364 174.273 176.600 0.061 0.000 0.999 253 E CA -2.863 53.557 56.400 0.034 0.000 0.827 253 E CB 0.390 30.126 29.700 0.061 0.000 1.101 253 E HN -0.665 7.532 8.360 -0.153 0.071 0.393 254 P HA -0.067 4.258 4.420 -0.157 0.000 0.265 254 P C -0.912 176.391 177.300 0.005 0.000 1.193 254 P CA 0.703 63.632 63.100 -0.285 0.000 0.765 254 P CB 0.223 31.517 31.700 -0.676 0.000 0.823 255 N N -2.794 115.972 118.700 0.110 0.000 2.714 255 N HA -0.407 4.405 4.740 0.121 0.000 0.250 255 N C 0.651 176.207 175.510 0.075 0.000 1.117 255 N CA 1.305 54.412 53.050 0.095 0.000 0.719 255 N CB -1.409 37.107 38.487 0.049 0.000 1.081 255 N HN 0.438 8.918 8.380 0.166 0.000 0.557 256 F N -2.661 117.271 119.950 -0.030 0.000 2.216 256 F HA -0.235 4.275 4.527 -0.029 0.000 0.300 256 F C 1.161 176.942 175.800 -0.032 0.000 1.085 256 F CA 3.188 61.142 58.000 -0.076 0.000 1.326 256 F CB -0.867 38.037 39.000 -0.161 0.000 1.027 256 F HN -0.902 7.564 8.300 0.318 0.024 0.497 257 W N -1.735 119.174 121.300 -0.652 0.000 2.321 257 W HA -0.419 4.030 4.660 -0.352 0.000 0.306 257 W C 1.666 178.031 176.519 -0.256 0.000 1.217 257 W CA 3.000 60.078 57.345 -0.446 0.000 1.257 257 W CB -0.172 29.029 29.460 -0.431 0.000 1.145 257 W HN -0.135 7.341 8.180 -1.144 0.017 0.509 258 D N -4.428 115.995 120.400 0.039 0.000 2.338 258 D HA 0.102 4.721 4.640 -0.034 0.000 0.208 258 D C 0.978 177.259 176.300 -0.032 0.000 0.997 258 D CA 1.472 55.466 54.000 -0.010 0.000 0.880 258 D CB 0.092 40.897 40.800 0.008 0.000 0.980 258 D HN -0.699 7.703 8.370 0.054 0.000 0.509 259 D N -1.408 118.990 120.400 -0.004 0.000 2.271 259 D HA 0.049 4.688 4.640 -0.001 0.000 0.206 259 D C 0.852 177.157 176.300 0.008 0.000 0.967 259 D CA 2.102 56.108 54.000 0.010 0.000 0.867 259 D CB 0.775 41.599 40.800 0.041 0.000 0.960 259 D HN -0.089 8.288 8.370 0.012 0.000 0.509 260 M N -3.713 115.897 119.600 0.017 0.000 2.333 260 M HA 0.266 4.773 4.480 0.046 0.000 0.257 260 M C -0.854 175.354 176.300 -0.153 0.000 1.078 260 M CA -0.939 54.389 55.300 0.047 0.000 1.005 260 M CB 0.631 33.398 32.600 0.279 0.000 1.444 260 M HN -0.095 8.107 8.290 0.018 0.099 0.496 261 T N 1.959 116.291 114.554 -0.369 0.000 2.909 261 T HA 0.263 4.254 4.350 -0.756 -0.095 0.289 261 T C -1.804 172.759 174.700 -0.229 0.000 1.005 261 T CA -2.423 59.351 62.100 -0.544 0.000 1.084 261 T CB -0.198 68.311 68.868 -0.599 0.000 0.975 261 T HN -0.572 7.447 8.240 -0.277 0.055 0.509 262 P HA 0.101 4.399 4.420 -0.203 0.000 0.271 262 P C 0.243 177.478 177.300 -0.108 0.000 1.216 262 P CA -0.762 62.255 63.100 -0.140 0.000 0.771 262 P CB 0.500 32.197 31.700 -0.004 0.000 0.864 263 F N 1.487 121.421 119.950 -0.026 0.000 2.365 263 F HA -0.145 4.443 4.527 -0.127 -0.137 0.300 263 F C 1.103 176.716 175.800 -0.312 0.000 1.090 263 F CA 1.882 59.767 58.000 -0.192 0.000 1.408 263 F CB -0.080 38.745 39.000 -0.292 0.000 1.060 263 F HN 0.340 8.565 8.300 -0.125 0.000 0.534 264 Y N -5.171 115.251 120.300 0.203 0.000 2.625 264 Y HA 0.205 4.989 4.550 0.122 -0.161 0.285 264 Y C -1.011 174.902 175.900 0.022 0.000 1.168 264 Y CA -1.049 57.123 58.100 0.121 0.000 1.250 264 Y CB -1.116 37.438 38.460 0.156 0.000 1.130 264 Y HN -0.466 7.929 8.280 0.246 0.032 0.526 265 Q N -2.975 116.869 119.800 0.073 0.000 2.423 265 Q HA 0.354 4.682 4.340 -0.020 0.000 0.278 265 Q C -1.901 174.036 176.000 -0.105 0.000 1.097 265 Q CA -1.654 54.142 55.803 -0.012 0.000 0.809 265 Q CB 4.104 32.844 28.738 0.003 0.000 1.391 265 Q HN -0.826 7.398 8.270 0.057 0.080 0.428 266 N N 0.000 118.598 118.700 -0.171 0.000 1.763 266 N HA 0.000 4.646 4.740 -0.156 0.000 0.220 266 N CA 0.000 52.922 53.050 -0.213 0.000 0.885 266 N CB 0.000 38.115 38.487 -0.620 0.000 1.341 266 N HN 0.000 8.288 8.380 -0.153 0.000 0.667