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 3p9y_1_D DATA FIRST_RESID 5 DATA SEQUENCE SKLAVAVVDS SNMNRSMEAH NFLAKKGFNV RSYGTGERVK LPGMAFDKPN DATA SEQUENCE VYEFGTKYED IYRDLESKDK EFYTQNGLLH MLDRNRRIKK CPERFQDTKE DATA SEQUENCE QFDIIVTVEE RVYDLVVMHM ESMESVDNRP VHVLNVDVVN NAEDALMGAF DATA SEQUENCE VITDMINMMA KSTDLDNDID ELIQEFEERR KRVILHSVLF Y 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 4.482 4.470 0.020 0.000 0.327 5 S C 0.000 174.616 174.600 0.026 0.000 1.055 5 S CA 0.000 58.212 58.200 0.021 0.000 1.107 5 S CB 0.000 63.217 63.200 0.029 0.000 0.593 6 K N 5.020 125.439 120.400 0.033 0.000 2.345 6 K HA 0.345 4.695 4.320 0.051 0.000 0.255 6 K C -0.842 175.807 176.600 0.081 0.000 0.934 6 K CA -0.503 55.812 56.287 0.048 0.000 0.801 6 K CB 1.299 33.814 32.500 0.025 0.000 1.137 6 K HN 0.039 8.307 8.250 0.030 0.000 0.424 7 L N 1.944 123.240 121.223 0.121 0.000 2.375 7 L HA 0.313 4.885 4.340 0.120 -0.160 0.271 7 L C -0.249 176.722 176.870 0.169 0.000 1.107 7 L CA -0.915 54.009 54.840 0.141 0.000 0.806 7 L CB 0.481 42.632 42.059 0.152 0.000 1.146 7 L HN 0.028 8.341 8.230 0.139 0.000 0.447 8 A N 0.710 123.637 122.820 0.179 0.000 2.276 8 A HA 0.364 4.946 4.320 0.230 -0.125 0.300 8 A C -1.146 176.657 177.584 0.364 0.000 1.235 8 A CA -1.016 51.172 52.037 0.251 0.000 0.867 8 A CB 0.701 19.810 19.000 0.181 0.000 1.137 8 A HN -0.236 8.247 8.150 0.163 -0.235 0.527 9 V N 3.799 123.897 119.914 0.308 0.000 2.628 9 V HA 0.896 5.303 4.120 0.128 -0.210 0.306 9 V C -1.635 174.434 176.094 -0.043 0.000 1.045 9 V CA -2.277 60.101 62.300 0.130 0.000 0.905 9 V CB 3.712 35.542 31.823 0.012 0.000 0.997 9 V HN 0.280 8.635 8.190 0.276 0.000 0.436 10 A N 5.028 127.639 122.820 -0.349 0.000 2.386 10 A HA 0.938 5.261 4.320 -0.346 -0.211 0.311 10 A C -2.065 175.373 177.584 -0.244 0.000 1.068 10 A CA -2.342 49.400 52.037 -0.493 0.000 0.743 10 A CB 3.639 21.946 19.000 -1.156 0.000 1.258 10 A HN 0.416 8.390 8.150 -0.293 0.000 0.429 11 V N 2.687 122.521 119.914 -0.134 0.000 2.495 11 V HA 0.831 5.093 4.120 -0.099 -0.202 0.298 11 V C -1.094 174.992 176.094 -0.013 0.000 1.031 11 V CA -1.626 60.629 62.300 -0.076 0.000 0.871 11 V CB 2.325 34.119 31.823 -0.048 0.000 0.988 11 V HN -0.033 8.090 8.190 -0.112 0.000 0.432 12 V N 6.505 126.395 119.914 -0.041 0.000 2.588 12 V HA 0.754 5.120 4.120 0.060 -0.211 0.304 12 V C -1.187 174.909 176.094 0.002 0.000 1.042 12 V CA -1.837 60.450 62.300 -0.021 0.000 0.877 12 V CB 2.510 34.217 31.823 -0.194 0.000 0.996 12 V HN 0.748 8.898 8.190 -0.066 0.000 0.425 13 D N 6.466 126.902 120.400 0.060 0.000 2.855 13 D HA 0.373 5.041 4.640 0.047 0.000 0.231 13 D C -0.185 176.176 176.300 0.101 0.000 1.225 13 D CA -1.382 52.660 54.000 0.070 0.000 1.074 13 D CB 1.385 42.234 40.800 0.083 0.000 1.235 13 D HN -0.232 8.197 8.370 0.098 0.000 0.635 14 S N -1.568 114.205 115.700 0.122 0.000 2.398 14 S HA -0.015 4.544 4.470 0.148 0.000 0.220 14 S C 1.248 175.999 174.600 0.252 0.000 1.046 14 S CA 2.123 60.416 58.200 0.155 0.000 0.953 14 S CB 0.207 63.478 63.200 0.118 0.000 0.856 14 S HN 0.291 8.667 8.310 0.110 0.000 0.506 15 S N -1.118 114.706 115.700 0.206 0.000 2.539 15 S HA 0.066 4.676 4.470 0.234 0.000 0.221 15 S C -1.045 173.680 174.600 0.209 0.000 0.987 15 S CA -0.208 58.101 58.200 0.181 0.000 0.929 15 S CB 0.631 63.869 63.200 0.062 0.000 0.832 15 S HN -0.257 8.149 8.310 0.160 0.000 0.492 16 N N 1.134 119.990 118.700 0.259 0.000 2.714 16 N HA -0.390 4.673 4.740 0.215 -0.194 0.253 16 N C -1.653 173.998 175.510 0.234 0.000 1.024 16 N CA 1.433 54.639 53.050 0.260 0.000 0.726 16 N CB -1.031 37.681 38.487 0.375 0.000 0.908 16 N HN 0.075 8.914 8.380 0.239 -0.316 0.542 17 M N -4.976 114.719 119.600 0.159 0.000 2.583 17 M HA -0.011 4.576 4.480 0.179 0.000 0.217 17 M C -0.181 176.151 176.300 0.054 0.000 1.655 17 M CA 1.841 57.219 55.300 0.129 0.000 1.114 17 M CB 1.540 34.208 32.600 0.114 0.000 1.384 17 M HN -0.784 7.717 8.290 0.136 -0.129 0.562 18 N N -0.424 118.314 118.700 0.063 0.000 2.531 18 N HA -0.098 4.662 4.740 0.034 0.000 0.223 18 N C 1.898 177.437 175.510 0.049 0.000 1.023 18 N CA 2.281 55.360 53.050 0.048 0.000 1.124 18 N CB 0.411 38.932 38.487 0.056 0.000 1.427 18 N HN -0.071 8.355 8.380 0.077 0.000 0.558 19 R N -0.449 120.084 120.500 0.056 0.000 2.066 19 R HA -0.310 4.057 4.340 0.045 0.000 0.232 19 R C 2.220 178.551 176.300 0.052 0.000 1.131 19 R CA 3.923 60.053 56.100 0.049 0.000 0.955 19 R CB 0.000 30.327 30.300 0.045 0.000 0.851 19 R HN 0.283 8.590 8.270 0.061 0.000 0.432 20 S N -1.239 114.501 115.700 0.066 0.000 2.423 20 S HA -0.290 4.214 4.470 0.058 0.000 0.231 20 S C 1.656 176.316 174.600 0.101 0.000 1.014 20 S CA 3.307 61.553 58.200 0.076 0.000 0.965 20 S CB -0.172 63.086 63.200 0.096 0.000 0.785 20 S HN -0.079 8.607 8.310 0.074 -0.331 0.495 21 M N 1.106 120.750 119.600 0.073 0.000 2.334 21 M HA 0.012 4.528 4.480 0.061 0.000 0.266 21 M C 2.224 178.552 176.300 0.048 0.000 1.082 21 M CA 1.124 56.444 55.300 0.034 0.000 1.141 21 M CB -1.193 31.367 32.600 -0.067 0.000 1.380 21 M HN -0.700 7.604 8.290 0.061 0.022 0.440 22 E N 0.824 121.056 120.200 0.054 0.000 2.106 22 E HA -0.248 4.145 4.350 0.071 0.000 0.192 22 E C 1.746 178.408 176.600 0.104 0.000 0.984 22 E CA 3.069 59.512 56.400 0.073 0.000 0.806 22 E CB -0.300 29.439 29.700 0.065 0.000 0.750 22 E HN -0.216 8.173 8.360 0.049 0.000 0.458 23 A N -0.773 122.099 122.820 0.086 0.000 1.898 23 A HA -0.308 4.051 4.320 0.064 0.000 0.216 23 A C 1.188 178.850 177.584 0.130 0.000 1.181 23 A CA 3.314 55.398 52.037 0.077 0.000 0.620 23 A CB -0.643 18.372 19.000 0.025 0.000 0.819 23 A HN -0.571 7.623 8.150 0.073 0.000 0.442 24 H N -0.360 118.726 119.070 0.027 0.000 2.319 24 H HA -0.421 4.149 4.556 0.023 0.000 0.299 24 H C 2.062 177.414 175.328 0.040 0.000 1.092 24 H CA 3.916 59.978 56.048 0.023 0.000 1.302 24 H CB 0.313 30.074 29.762 -0.002 0.000 1.373 24 H HN -0.201 8.208 8.280 0.215 0.000 0.497 25 N N -1.290 117.555 118.700 0.242 0.000 2.043 25 N HA -0.394 4.423 4.740 0.129 0.000 0.193 25 N C 1.810 177.407 175.510 0.145 0.000 1.037 25 N CA 3.161 56.300 53.050 0.149 0.000 0.851 25 N CB -0.145 38.394 38.487 0.087 0.000 1.027 25 N HN -0.432 8.065 8.380 0.194 0.000 0.422 26 F N 0.449 120.403 119.950 0.007 0.000 2.102 26 F HA -0.300 4.188 4.527 -0.064 0.000 0.298 26 F C 1.800 177.594 175.800 -0.011 0.000 1.105 26 F CA 3.795 61.763 58.000 -0.054 0.000 1.239 26 F CB 0.368 39.283 39.000 -0.142 0.000 0.991 26 F HN -0.702 7.781 8.300 0.304 0.000 0.474 27 L N -2.382 118.949 121.223 0.180 0.000 2.042 27 L HA -0.507 3.936 4.340 0.171 0.000 0.210 27 L C 2.242 179.221 176.870 0.182 0.000 1.076 27 L CA 3.081 58.005 54.840 0.141 0.000 0.749 27 L CB -0.442 41.624 42.059 0.013 0.000 0.893 27 L HN -0.203 8.150 8.230 0.205 0.000 0.432 28 A N -0.893 121.998 122.820 0.118 0.000 1.877 28 A HA -0.250 4.135 4.320 0.109 0.000 0.216 28 A C 2.701 180.297 177.584 0.020 0.000 1.186 28 A CA 2.699 54.795 52.037 0.097 0.000 0.620 28 A CB -0.557 18.527 19.000 0.140 0.000 0.822 28 A HN -0.291 7.937 8.150 0.129 0.000 0.443 29 K N -1.838 118.530 120.400 -0.054 0.000 2.152 29 K HA -0.297 3.966 4.320 -0.096 0.000 0.206 29 K C 1.920 178.427 176.600 -0.155 0.000 1.048 29 K CA 2.579 58.784 56.287 -0.137 0.000 0.933 29 K CB -0.082 32.265 32.500 -0.255 0.000 0.721 29 K HN -0.553 7.663 8.250 -0.057 0.000 0.447 30 K N -4.653 115.672 120.400 -0.125 0.000 2.426 30 K HA 0.029 4.264 4.320 -0.141 0.000 0.193 30 K C 0.187 176.704 176.600 -0.137 0.000 1.028 30 K CA -0.821 55.417 56.287 -0.082 0.000 1.047 30 K CB -0.104 32.448 32.500 0.086 0.000 0.821 30 K HN -0.619 7.454 8.250 -0.081 0.129 0.513 31 G N -0.699 108.039 108.800 -0.102 0.000 2.215 31 G HA2 -0.363 3.530 3.960 -0.111 0.000 0.198 31 G HA3 -0.363 3.446 3.960 -0.251 0.000 0.198 31 G C -1.156 173.560 174.900 -0.307 0.000 1.047 31 G CA -0.075 44.908 45.100 -0.194 0.000 0.747 31 G HN -0.409 7.709 8.290 -0.019 0.160 0.495 32 F N -1.803 118.132 119.950 -0.024 0.000 2.470 32 F HA 0.160 4.686 4.527 -0.002 0.000 0.329 32 F C -0.866 174.931 175.800 -0.005 0.000 1.072 32 F CA -1.193 56.801 58.000 -0.010 0.000 0.989 32 F CB 1.801 40.795 39.000 -0.010 0.000 1.193 32 F HN -0.777 7.647 8.300 0.207 0.000 0.481 33 N N 3.218 122.044 118.700 0.210 0.000 2.508 33 N HA 0.048 4.852 4.740 0.107 0.000 0.253 33 N C -2.076 173.516 175.510 0.138 0.000 1.145 33 N CA -0.320 52.814 53.050 0.140 0.000 0.973 33 N CB -0.206 38.355 38.487 0.123 0.000 1.305 33 N HN 0.612 9.136 8.380 0.239 0.000 0.506 34 V N 4.360 124.303 119.914 0.048 0.000 2.735 34 V HA 0.928 5.279 4.120 -0.005 -0.233 0.310 34 V C -1.934 174.017 176.094 -0.237 0.000 1.061 34 V CA -3.042 59.200 62.300 -0.096 0.000 0.913 34 V CB 2.880 34.562 31.823 -0.234 0.000 1.005 34 V HN -0.382 7.828 8.190 0.033 0.000 0.428 35 R N 4.767 125.181 120.500 -0.143 0.000 2.930 35 R HA 0.410 4.710 4.340 -0.067 0.000 0.257 35 R C -1.927 174.281 176.300 -0.154 0.000 1.107 35 R CA -2.018 54.035 56.100 -0.078 0.000 0.999 35 R CB 3.894 34.351 30.300 0.261 0.000 1.209 35 R HN 0.417 8.652 8.270 -0.058 0.000 0.486 36 S N -1.704 113.902 115.700 -0.157 0.000 2.556 36 S HA 0.892 5.534 4.470 0.003 -0.171 0.271 36 S C -1.689 172.661 174.600 -0.416 0.000 1.135 36 S CA -1.032 57.117 58.200 -0.085 0.000 0.858 36 S CB 3.185 66.502 63.200 0.195 0.000 1.114 36 S HN 0.184 8.347 8.310 -0.246 0.000 0.468 37 Y N -2.910 117.475 120.300 0.142 0.000 2.689 37 Y HA 0.472 5.277 4.550 0.193 -0.140 0.333 37 Y C -1.172 174.818 175.900 0.150 0.000 1.190 37 Y CA -1.135 57.063 58.100 0.164 0.000 1.063 37 Y CB 4.036 42.620 38.460 0.206 0.000 1.294 37 Y HN -0.219 8.204 8.280 0.239 0.000 0.466 38 G N -2.683 106.317 108.800 0.333 0.000 2.533 38 G HA2 0.731 5.114 3.960 0.241 0.000 0.304 38 G HA3 0.731 5.073 3.960 0.470 -0.100 0.304 38 G C -1.190 173.783 174.900 0.121 0.000 1.263 38 G CA -1.566 43.710 45.100 0.294 0.000 0.964 38 G HN 0.046 8.510 8.290 0.290 0.000 0.479 39 T N -1.702 112.928 114.554 0.127 0.000 3.023 39 T HA 0.505 5.050 4.350 0.014 -0.187 0.253 39 T C 0.873 175.625 174.700 0.086 0.000 1.038 39 T CA -1.482 60.651 62.100 0.055 0.000 0.962 39 T CB 1.265 70.153 68.868 0.032 0.000 1.018 39 T HN -0.239 8.097 8.240 0.160 0.000 0.521 40 G N 1.230 110.153 108.800 0.206 0.000 2.636 40 G HA2 -0.064 3.991 3.960 0.158 0.000 0.246 40 G HA3 -0.064 4.057 3.960 0.268 0.000 0.246 40 G C 0.272 175.345 174.900 0.288 0.000 1.216 40 G CA -0.929 44.312 45.100 0.234 0.000 0.854 40 G HN -0.549 7.907 8.290 0.277 0.000 0.572 41 E N -0.946 119.382 120.200 0.214 0.000 2.274 41 E HA -0.193 4.261 4.350 0.173 0.000 0.194 41 E C 0.151 176.937 176.600 0.311 0.000 0.996 41 E CA 2.318 58.840 56.400 0.203 0.000 0.840 41 E CB 0.225 29.995 29.700 0.116 0.000 0.772 41 E HN 0.482 8.940 8.360 0.164 0.000 0.491 42 R N -5.371 115.295 120.500 0.277 0.000 2.799 42 R HA 0.242 4.665 4.340 0.137 0.000 0.270 42 R C -1.694 174.536 176.300 -0.117 0.000 1.010 42 R CA -1.160 55.003 56.100 0.105 0.000 0.916 42 R CB 3.689 34.002 30.300 0.023 0.000 1.228 42 R HN -0.673 7.718 8.270 0.235 0.021 0.469 43 V N 0.770 120.430 119.914 -0.423 0.000 2.530 43 V HA -0.047 3.861 4.120 -0.355 0.000 0.282 43 V C -1.179 174.871 176.094 -0.073 0.000 1.048 43 V CA 0.284 62.367 62.300 -0.361 0.000 0.997 43 V CB 0.518 32.065 31.823 -0.462 0.000 0.987 43 V HN 0.222 8.150 8.190 -0.437 0.000 0.477 44 K N 6.247 126.635 120.400 -0.020 0.000 2.541 44 K HA 0.516 5.002 4.320 -0.000 -0.167 0.250 44 K C -0.941 175.684 176.600 0.041 0.000 0.950 44 K CA -1.138 55.152 56.287 0.005 0.000 0.805 44 K CB 2.772 35.260 32.500 -0.021 0.000 1.166 44 K HN -0.176 8.062 8.250 -0.020 0.000 0.430 45 L N 3.965 125.232 121.223 0.074 0.000 2.319 45 L HA 0.530 4.921 4.340 0.085 0.000 0.267 45 L C -2.564 174.360 176.870 0.090 0.000 1.011 45 L CA -3.054 51.845 54.840 0.098 0.000 0.818 45 L CB 1.009 43.153 42.059 0.141 0.000 1.316 45 L HN 0.269 8.547 8.230 0.080 0.000 0.432 46 P HA 0.004 4.466 4.420 0.071 0.000 0.269 46 P C -1.046 176.410 177.300 0.260 0.000 1.209 46 P CA -0.011 63.173 63.100 0.141 0.000 0.776 46 P CB 0.418 32.212 31.700 0.157 0.000 0.876 47 G N -0.039 108.888 108.800 0.211 0.000 3.122 47 G HA2 0.386 4.623 3.960 0.461 0.000 0.180 47 G HA3 0.386 4.635 3.960 0.157 -0.194 0.180 47 G C -0.840 174.182 174.900 0.203 0.000 1.279 47 G CA -0.682 44.579 45.100 0.268 0.000 0.987 47 G HN -0.046 8.320 8.290 0.127 0.000 0.589 48 M N -0.352 119.229 119.600 -0.033 0.000 2.495 48 M HA 0.105 4.420 4.480 -0.275 0.000 0.237 48 M C -0.617 175.653 176.300 -0.051 0.000 1.131 48 M CA 0.736 55.880 55.300 -0.259 0.000 1.032 48 M CB 0.305 32.558 32.600 -0.579 0.000 1.513 48 M HN 0.298 8.566 8.290 -0.037 0.000 0.488 49 A N -2.038 120.798 122.820 0.026 0.000 2.604 49 A HA 0.285 4.664 4.320 0.100 0.000 0.295 49 A C -1.231 176.419 177.584 0.110 0.000 1.067 49 A CA -0.531 51.550 52.037 0.074 0.000 0.683 49 A CB 1.750 20.774 19.000 0.040 0.000 1.281 49 A HN -0.809 7.301 8.150 0.030 0.058 0.407 50 F N 0.937 120.906 119.950 0.032 0.000 2.171 50 F HA -0.314 4.240 4.527 0.046 0.000 0.300 50 F C -0.160 175.656 175.800 0.026 0.000 1.090 50 F CA 2.199 60.220 58.000 0.035 0.000 1.293 50 F CB 0.320 39.338 39.000 0.029 0.000 1.013 50 F HN 0.461 8.943 8.300 0.303 0.000 0.486 51 D N -2.952 117.535 120.400 0.146 0.000 2.349 51 D HA -0.084 4.570 4.640 0.024 0.000 0.224 51 D C -0.332 175.941 176.300 -0.045 0.000 1.029 51 D CA 0.585 54.618 54.000 0.054 0.000 0.879 51 D CB -0.799 40.072 40.800 0.118 0.000 0.906 51 D HN 0.210 8.707 8.370 0.211 0.000 0.528 52 K N 0.018 120.378 120.400 -0.066 0.000 2.827 52 K HA 0.528 4.806 4.320 -0.070 0.000 0.186 52 K C -2.689 173.868 176.600 -0.072 0.000 1.093 52 K CA -3.022 53.228 56.287 -0.062 0.000 0.993 52 K CB 0.514 32.994 32.500 -0.033 0.000 1.199 52 K HN -0.497 7.536 8.250 -0.061 0.181 0.598 53 P HA 0.236 4.683 4.420 -0.055 -0.060 0.276 53 P C -0.968 176.273 177.300 -0.098 0.000 1.244 53 P CA -1.158 61.885 63.100 -0.095 0.000 0.801 53 P CB 1.031 32.647 31.700 -0.141 0.000 1.006 54 N N 1.469 120.127 118.700 -0.071 0.000 2.406 54 N HA 0.142 4.721 4.740 -0.268 0.000 0.251 54 N C -1.119 174.175 175.510 -0.361 0.000 1.069 54 N CA -0.083 52.846 53.050 -0.201 0.000 0.947 54 N CB 0.450 38.913 38.487 -0.040 0.000 1.111 54 N HN -0.000 8.377 8.380 -0.004 0.000 0.497 55 V N 3.655 123.233 119.914 -0.560 0.000 2.483 55 V HA 0.541 4.688 4.120 -0.272 -0.189 0.295 55 V C -0.929 174.715 176.094 -0.750 0.000 1.035 55 V CA -1.081 60.947 62.300 -0.453 0.000 0.896 55 V CB 1.942 33.617 31.823 -0.246 0.000 0.986 55 V HN 0.126 7.992 8.190 -0.540 0.000 0.447 56 Y N 4.435 124.662 120.300 -0.121 0.000 2.553 56 Y HA 0.190 4.684 4.550 -0.095 0.000 0.347 56 Y C -1.330 174.478 175.900 -0.154 0.000 1.019 56 Y CA -1.750 56.273 58.100 -0.128 0.000 1.032 56 Y CB 3.150 41.519 38.460 -0.153 0.000 1.284 56 Y HN 0.498 8.751 8.280 -0.046 0.000 0.466 57 E N -0.357 119.876 120.200 0.055 0.000 2.366 57 E HA 0.131 4.511 4.350 0.050 0.000 0.266 57 E C 0.098 176.696 176.600 -0.003 0.000 1.051 57 E CA -0.999 55.426 56.400 0.043 0.000 0.884 57 E CB 1.188 30.930 29.700 0.071 0.000 1.006 57 E HN 0.614 9.022 8.360 0.080 0.000 0.417 58 F N 0.026 119.992 119.950 0.027 0.000 2.595 58 F HA -0.420 4.094 4.527 -0.023 0.000 0.359 58 F C 1.661 177.450 175.800 -0.018 0.000 1.147 58 F CA 2.384 60.383 58.000 -0.001 0.000 1.341 58 F CB 0.305 39.318 39.000 0.022 0.000 1.104 58 F HN 0.306 8.799 8.300 0.321 0.000 0.603 59 G N 3.534 112.409 108.800 0.126 0.000 2.258 59 G HA2 -0.338 3.645 3.960 0.038 0.000 0.233 59 G HA3 -0.338 3.658 3.960 0.060 0.000 0.233 59 G C -0.184 174.691 174.900 -0.042 0.000 1.006 59 G CA -0.414 44.711 45.100 0.041 0.000 0.620 59 G HN 0.160 8.524 8.290 0.123 0.000 0.511 60 T N 5.348 119.856 114.554 -0.078 0.000 2.888 60 T HA -0.224 4.073 4.350 -0.087 0.000 0.301 60 T C -0.642 173.911 174.700 -0.245 0.000 1.001 60 T CA 1.829 63.850 62.100 -0.131 0.000 1.147 60 T CB 0.342 69.133 68.868 -0.127 0.000 0.931 60 T HN -0.530 7.596 8.240 -0.061 0.078 0.541 61 K N 5.152 125.435 120.400 -0.195 0.000 2.237 61 K HA -0.082 4.185 4.320 -0.268 -0.108 0.270 61 K C 1.239 177.698 176.600 -0.235 0.000 1.015 61 K CA 0.329 56.490 56.287 -0.210 0.000 0.949 61 K CB 0.724 33.168 32.500 -0.093 0.000 0.976 61 K HN 0.307 8.474 8.250 -0.138 0.000 0.472 62 Y N 2.438 122.677 120.300 -0.102 0.000 2.207 62 Y HA -0.481 3.983 4.550 -0.143 0.000 0.287 62 Y C 2.007 177.862 175.900 -0.075 0.000 1.156 62 Y CA 4.723 62.758 58.100 -0.108 0.000 1.182 62 Y CB -0.407 37.999 38.460 -0.089 0.000 0.979 62 Y HN 0.215 8.380 8.280 -0.192 0.000 0.521 63 E N -2.022 118.221 120.200 0.072 0.000 2.152 63 E HA -0.370 3.997 4.350 0.028 0.000 0.192 63 E C 1.894 178.517 176.600 0.038 0.000 0.983 63 E CA 3.145 59.560 56.400 0.026 0.000 0.818 63 E CB -0.935 28.746 29.700 -0.032 0.000 0.758 63 E HN 0.284 8.665 8.360 0.057 0.013 0.467 64 D N 0.387 120.775 120.400 -0.021 0.000 2.149 64 D HA -0.181 4.455 4.640 -0.006 0.000 0.201 64 D C 2.279 178.526 176.300 -0.088 0.000 0.972 64 D CA 2.847 56.824 54.000 -0.040 0.000 0.835 64 D CB -0.556 40.207 40.800 -0.062 0.000 0.966 64 D HN -0.795 7.459 8.370 -0.043 0.090 0.476 65 I N 0.129 120.580 120.570 -0.198 0.000 2.252 65 I HA -0.510 3.354 4.170 -0.510 0.000 0.245 65 I C 1.184 177.213 176.117 -0.147 0.000 1.102 65 I CA 3.892 64.965 61.300 -0.378 0.000 1.385 65 I CB -0.010 37.639 38.000 -0.584 0.000 1.064 65 I HN -0.488 7.605 8.210 -0.194 0.000 0.414 66 Y N 0.081 120.300 120.300 -0.136 0.000 2.165 66 Y HA -0.574 3.928 4.550 -0.079 0.000 0.286 66 Y C 1.769 177.634 175.900 -0.059 0.000 1.155 66 Y CA 4.299 62.353 58.100 -0.077 0.000 1.164 66 Y CB 0.104 38.539 38.460 -0.041 0.000 0.978 66 Y HN -0.175 8.181 8.280 0.127 0.000 0.513 67 R N -2.677 117.938 120.500 0.191 0.000 2.115 67 R HA -0.270 4.178 4.340 0.180 0.000 0.226 67 R C 2.144 178.453 176.300 0.015 0.000 1.100 67 R CA 2.983 59.160 56.100 0.127 0.000 0.980 67 R CB -0.219 30.147 30.300 0.111 0.000 0.875 67 R HN -0.477 7.892 8.270 0.178 0.008 0.445 68 D N 0.725 121.115 120.400 -0.017 0.000 2.097 68 D HA -0.178 4.469 4.640 0.011 0.000 0.197 68 D C 2.165 178.420 176.300 -0.074 0.000 0.984 68 D CA 3.132 57.125 54.000 -0.011 0.000 0.826 68 D CB -0.108 40.725 40.800 0.056 0.000 0.973 68 D HN -0.618 7.642 8.370 -0.024 0.095 0.460 69 L N -1.975 119.132 121.223 -0.193 0.000 2.156 69 L HA -0.317 3.761 4.340 -0.435 0.000 0.208 69 L C 2.029 178.800 176.870 -0.165 0.000 1.095 69 L CA 2.750 57.359 54.840 -0.384 0.000 0.770 69 L CB -0.194 41.453 42.059 -0.686 0.000 0.914 69 L HN -0.422 7.687 8.230 -0.203 0.000 0.439 70 E N 0.017 120.117 120.200 -0.166 0.000 2.077 70 E HA -0.474 3.834 4.350 -0.071 0.000 0.193 70 E C 1.817 178.424 176.600 0.013 0.000 0.989 70 E CA 3.150 59.499 56.400 -0.084 0.000 0.800 70 E CB -0.140 29.505 29.700 -0.092 0.000 0.746 70 E HN -0.412 7.823 8.360 -0.210 0.000 0.452 71 S N -1.720 113.987 115.700 0.010 0.000 2.383 71 S HA -0.216 4.276 4.470 0.036 0.000 0.227 71 S C 2.229 176.856 174.600 0.045 0.000 1.026 71 S CA 2.385 60.603 58.200 0.030 0.000 0.981 71 S CB -0.072 63.143 63.200 0.024 0.000 0.818 71 S HN -0.436 7.869 8.310 -0.008 0.000 0.472 72 K N -0.881 119.551 120.400 0.053 0.000 2.001 72 K HA -0.181 4.176 4.320 0.061 0.000 0.208 72 K C 0.260 176.941 176.600 0.135 0.000 1.048 72 K CA 2.018 58.358 56.287 0.090 0.000 0.932 72 K CB 0.821 33.387 32.500 0.109 0.000 0.715 72 K HN -0.792 7.475 8.250 0.029 0.000 0.437 73 D N -3.520 117.014 120.400 0.223 0.000 2.684 73 D HA 0.117 4.835 4.640 0.129 0.000 0.233 73 D C -1.448 175.009 176.300 0.261 0.000 1.374 73 D CA 0.152 54.274 54.000 0.203 0.000 0.906 73 D CB 0.272 41.158 40.800 0.143 0.000 1.526 73 D HN -0.485 8.044 8.370 0.266 0.000 0.518 74 K N 4.634 125.128 120.400 0.156 0.000 2.074 74 K HA -0.461 3.928 4.320 0.115 0.000 0.209 74 K C 1.178 177.846 176.600 0.114 0.000 1.048 74 K CA 3.520 59.877 56.287 0.117 0.000 0.926 74 K CB 0.097 32.637 32.500 0.066 0.000 0.713 74 K HN -0.068 8.252 8.250 0.117 0.000 0.444 75 E N -1.576 118.684 120.200 0.101 0.000 2.051 75 E HA -0.303 4.075 4.350 0.047 0.000 0.192 75 E C 2.000 178.634 176.600 0.056 0.000 0.991 75 E CA 2.937 59.379 56.400 0.069 0.000 0.799 75 E CB -0.232 29.505 29.700 0.063 0.000 0.748 75 E HN -0.512 7.980 8.360 0.100 -0.072 0.449 76 F N 0.871 120.768 119.950 -0.088 0.000 2.102 76 F HA -0.382 4.040 4.527 -0.176 0.000 0.298 76 F C 1.853 177.493 175.800 -0.267 0.000 1.105 76 F CA 3.700 61.565 58.000 -0.225 0.000 1.239 76 F CB 0.438 39.208 39.000 -0.383 0.000 0.991 76 F HN -0.659 8.051 8.300 0.218 -0.279 0.474 77 Y N -5.171 115.191 120.300 0.103 0.000 2.529 77 Y HA 0.038 4.713 4.550 -0.080 -0.173 0.290 77 Y C 1.600 177.452 175.900 -0.080 0.000 1.177 77 Y CA 1.487 59.581 58.100 -0.009 0.000 1.305 77 Y CB -1.025 37.469 38.460 0.057 0.000 1.047 77 Y HN -0.411 8.011 8.280 0.237 0.000 0.522 78 T N 2.768 117.337 114.554 0.026 0.000 2.976 78 T HA -0.228 4.139 4.350 0.030 0.000 0.257 78 T C 1.589 176.258 174.700 -0.053 0.000 1.051 78 T CA 3.844 65.947 62.100 0.005 0.000 1.141 78 T CB -0.071 68.809 68.868 0.019 0.000 0.881 78 T HN -0.472 7.619 8.240 0.020 0.161 0.461 79 Q N 0.774 120.496 119.800 -0.128 0.000 2.079 79 Q HA -0.192 4.083 4.340 -0.108 0.000 0.200 79 Q C 1.890 177.773 176.000 -0.195 0.000 0.974 79 Q CA 2.542 58.249 55.803 -0.161 0.000 0.840 79 Q CB 0.039 28.657 28.738 -0.200 0.000 0.898 79 Q HN -0.449 7.730 8.270 -0.151 0.000 0.430 80 N N -3.346 115.171 118.700 -0.305 0.000 2.521 80 N HA -0.060 4.549 4.740 -0.218 0.000 0.188 80 N C 0.728 176.181 175.510 -0.095 0.000 1.146 80 N CA -0.292 52.605 53.050 -0.254 0.000 0.893 80 N CB -0.345 37.888 38.487 -0.422 0.000 0.975 80 N HN -0.578 7.554 8.380 -0.414 0.000 0.451 81 G N -0.832 107.940 108.800 -0.047 0.000 2.179 81 G HA2 -0.384 3.600 3.960 0.039 0.000 0.260 81 G HA3 -0.384 3.592 3.960 0.026 0.000 0.260 81 G C 0.303 175.260 174.900 0.096 0.000 0.977 81 G CA 0.912 46.031 45.100 0.032 0.000 0.641 81 G HN -0.690 7.389 8.290 -0.064 0.172 0.533 82 L N 1.249 122.527 121.223 0.091 0.000 2.109 82 L HA -0.354 4.046 4.340 0.099 0.000 0.207 82 L C 1.102 178.019 176.870 0.078 0.000 1.086 82 L CA 2.735 57.640 54.840 0.109 0.000 0.760 82 L CB -0.321 41.845 42.059 0.179 0.000 0.910 82 L HN -0.522 7.982 8.230 0.079 -0.226 0.437 83 L N -2.415 118.841 121.223 0.056 0.000 2.056 83 L HA -0.498 3.761 4.340 -0.136 0.000 0.207 83 L C 1.829 178.832 176.870 0.222 0.000 1.078 83 L CA 3.701 58.539 54.840 -0.004 0.000 0.749 83 L CB -0.508 41.474 42.059 -0.128 0.000 0.901 83 L HN -0.277 7.994 8.230 0.068 0.000 0.433 84 H N -1.205 117.926 119.070 0.102 0.000 2.353 84 H HA -0.320 4.306 4.556 0.117 0.000 0.300 84 H C 1.538 176.903 175.328 0.060 0.000 1.090 84 H CA 3.536 59.638 56.048 0.090 0.000 1.327 84 H CB -0.153 29.639 29.762 0.050 0.000 1.383 84 H HN -0.219 8.216 8.280 0.259 0.000 0.508 85 M N -0.075 119.537 119.600 0.020 0.000 2.086 85 M HA -0.404 3.997 4.480 -0.131 0.000 0.261 85 M C 1.596 177.823 176.300 -0.121 0.000 1.067 85 M CA 4.204 59.465 55.300 -0.065 0.000 1.116 85 M CB -0.063 32.555 32.600 0.030 0.000 1.348 85 M HN -0.658 7.712 8.290 0.134 0.000 0.407 86 L N -2.178 119.039 121.223 -0.009 0.000 2.141 86 L HA -0.389 3.911 4.340 -0.067 0.000 0.209 86 L C 2.228 179.078 176.870 -0.033 0.000 1.094 86 L CA 2.702 57.555 54.840 0.021 0.000 0.763 86 L CB -0.597 41.577 42.059 0.192 0.000 0.908 86 L HN -0.115 8.146 8.230 0.052 0.000 0.437 87 D N -0.790 119.604 120.400 -0.009 0.000 2.097 87 D HA -0.269 4.256 4.640 -0.192 0.000 0.197 87 D C 2.090 178.256 176.300 -0.222 0.000 0.984 87 D CA 3.250 57.169 54.000 -0.136 0.000 0.826 87 D CB -0.023 40.730 40.800 -0.079 0.000 0.973 87 D HN -0.354 7.942 8.370 0.054 0.107 0.460 88 R N -1.397 118.923 120.500 -0.299 0.000 2.096 88 R HA -0.321 3.871 4.340 -0.247 0.000 0.235 88 R C 1.881 177.998 176.300 -0.304 0.000 1.127 88 R CA 2.959 58.882 56.100 -0.294 0.000 0.968 88 R CB -0.039 30.060 30.300 -0.335 0.000 0.861 88 R HN -0.426 7.633 8.270 -0.351 0.000 0.440 89 N N -2.240 116.214 118.700 -0.409 0.000 2.188 89 N HA -0.220 4.156 4.740 -0.606 0.000 0.184 89 N C 1.629 176.789 175.510 -0.583 0.000 1.018 89 N CA 2.569 55.203 53.050 -0.692 0.000 0.858 89 N CB -0.186 37.541 38.487 -1.268 0.000 0.989 89 N HN -0.467 7.682 8.380 -0.384 0.000 0.426 90 R N 0.317 120.609 120.500 -0.347 0.000 2.115 90 R HA -0.174 4.314 4.340 -0.029 -0.166 0.230 90 R C 1.579 177.802 176.300 -0.129 0.000 1.111 90 R CA 2.451 58.470 56.100 -0.135 0.000 0.976 90 R CB -0.183 30.058 30.300 -0.099 0.000 0.870 90 R HN -0.601 7.481 8.270 -0.314 0.000 0.445 91 R N -3.153 117.249 120.500 -0.163 0.000 2.316 91 R HA -0.137 4.143 4.340 -0.101 0.000 0.202 91 R C 0.885 177.111 176.300 -0.124 0.000 1.029 91 R CA 1.983 58.008 56.100 -0.125 0.000 1.018 91 R CB -0.069 30.158 30.300 -0.121 0.000 0.888 91 R HN -0.533 7.605 8.270 -0.195 0.015 0.471 92 I N -4.144 116.321 120.570 -0.175 0.000 2.947 92 I HA -0.115 3.963 4.170 -0.153 0.000 0.263 92 I C -0.540 175.488 176.117 -0.149 0.000 1.130 92 I CA 1.098 62.278 61.300 -0.200 0.000 1.448 92 I CB 1.395 39.181 38.000 -0.357 0.000 1.222 92 I HN -0.623 7.280 8.210 -0.214 0.179 0.453 93 K N -2.659 117.679 120.400 -0.103 0.000 2.614 93 K HA 0.256 4.575 4.320 -0.000 0.000 0.293 93 K C -1.916 174.757 176.600 0.123 0.000 1.045 93 K CA -0.843 55.447 56.287 0.006 0.000 0.880 93 K CB 1.606 34.112 32.500 0.011 0.000 1.552 93 K HN -0.544 7.631 8.250 -0.126 0.000 0.404 94 K N -0.660 119.804 120.400 0.107 0.000 2.044 94 K HA -0.151 4.224 4.320 0.090 0.000 0.204 94 K C -1.180 175.459 176.600 0.065 0.000 1.049 94 K CA 2.745 59.085 56.287 0.089 0.000 0.945 94 K CB 0.382 32.898 32.500 0.025 0.000 0.724 94 K HN 0.381 8.675 8.250 0.074 0.000 0.440 95 C N -7.197 112.073 119.300 -0.049 0.000 3.173 95 C HA 0.433 4.342 4.460 -0.919 0.000 0.310 95 C C -2.576 172.186 174.990 -0.381 0.000 1.306 95 C CA -4.000 54.752 59.018 -0.444 0.000 1.426 95 C CB 2.191 29.784 27.740 -0.244 0.000 1.800 95 C HN -0.678 7.566 8.230 0.023 0.000 0.470 96 P HA -0.027 4.464 4.420 0.118 0.000 0.267 96 P C -1.531 175.940 177.300 0.285 0.000 1.205 96 P CA 0.170 63.237 63.100 -0.054 0.000 0.765 96 P CB 0.525 32.118 31.700 -0.179 0.000 0.828 97 E N 2.648 123.039 120.200 0.317 0.000 2.207 97 E HA 0.222 4.727 4.350 0.258 0.000 0.270 97 E C -1.193 175.477 176.600 0.117 0.000 0.927 97 E CA -1.978 54.577 56.400 0.258 0.000 0.799 97 E CB 3.346 33.141 29.700 0.159 0.000 1.172 97 E HN 0.133 8.643 8.360 0.250 0.000 0.404 98 R N 2.664 122.992 120.500 -0.286 0.000 2.312 98 R HA 0.295 4.316 4.340 -0.829 -0.178 0.311 98 R C 1.192 177.398 176.300 -0.157 0.000 1.004 98 R CA -0.709 54.998 56.100 -0.655 0.000 0.902 98 R CB 1.419 31.102 30.300 -1.029 0.000 1.073 98 R HN 0.438 8.595 8.270 -0.188 0.000 0.457 99 F N 8.563 128.370 119.950 -0.238 0.000 2.171 99 F HA -0.318 3.852 4.527 -0.595 0.000 0.300 99 F C 1.009 176.511 175.800 -0.498 0.000 1.090 99 F CA 3.581 61.347 58.000 -0.390 0.000 1.293 99 F CB 0.554 39.370 39.000 -0.306 0.000 1.013 99 F HN 0.546 8.879 8.300 0.054 0.000 0.486 100 Q N -4.899 114.558 119.800 -0.571 0.000 2.515 100 Q HA -0.156 3.029 4.340 -1.925 0.000 0.212 100 Q C 0.200 175.919 176.000 -0.468 0.000 0.970 100 Q CA 2.004 57.244 55.803 -0.939 0.000 0.941 100 Q CB -0.583 27.850 28.738 -0.508 0.000 0.998 100 Q HN 0.368 8.433 8.270 -0.341 0.000 0.518 101 D N -3.354 116.837 120.400 -0.348 0.000 2.449 101 D HA 0.205 4.775 4.640 -0.117 0.000 0.210 101 D C -0.187 176.026 176.300 -0.145 0.000 1.094 101 D CA 0.399 54.296 54.000 -0.171 0.000 0.846 101 D CB 1.457 42.187 40.800 -0.118 0.000 1.003 101 D HN -0.466 7.597 8.370 -0.379 0.080 0.504 102 T N 2.276 116.681 114.554 -0.249 0.000 2.868 102 T HA -0.098 4.225 4.350 -0.045 0.000 0.292 102 T C 0.032 174.633 174.700 -0.164 0.000 1.028 102 T CA 0.137 62.137 62.100 -0.165 0.000 1.059 102 T CB 0.386 69.099 68.868 -0.259 0.000 0.991 102 T HN -0.679 7.319 8.240 -0.404 0.000 0.531 103 K N 2.147 122.490 120.400 -0.096 0.000 2.374 103 K HA 0.198 4.457 4.320 -0.101 0.000 0.202 103 K C -0.225 176.277 176.600 -0.163 0.000 1.040 103 K CA -0.680 55.543 56.287 -0.105 0.000 1.085 103 K CB 0.066 32.522 32.500 -0.075 0.000 0.873 103 K HN 0.162 8.378 8.250 -0.056 0.000 0.539 104 E N 1.356 121.460 120.200 -0.160 0.000 2.398 104 E HA -0.059 4.094 4.350 -0.327 0.000 0.263 104 E C -1.043 175.225 176.600 -0.553 0.000 1.046 104 E CA 0.885 57.092 56.400 -0.323 0.000 0.908 104 E CB 0.622 30.201 29.700 -0.201 0.000 0.963 104 E HN -0.700 7.605 8.360 -0.091 0.000 0.431 105 Q N -0.368 118.923 119.800 -0.847 0.000 2.351 105 Q HA 0.190 4.047 4.340 -0.804 0.000 0.273 105 Q C -1.076 174.358 176.000 -0.943 0.000 1.077 105 Q CA -1.118 54.103 55.803 -0.970 0.000 0.843 105 Q CB 2.567 30.596 28.738 -1.182 0.000 1.367 105 Q HN 0.234 8.042 8.270 -0.770 0.000 0.449 106 F N -0.943 119.050 119.950 0.072 0.000 2.626 106 F HA 0.195 4.777 4.527 0.093 0.000 0.311 106 F C -1.114 174.805 175.800 0.197 0.000 1.088 106 F CA -0.697 57.395 58.000 0.154 0.000 0.949 106 F CB 3.252 42.369 39.000 0.195 0.000 1.322 106 F HN -0.398 8.108 8.300 0.344 0.000 0.461 107 D N -1.486 119.110 120.400 0.327 0.000 2.213 107 D HA 0.046 4.805 4.640 0.199 0.000 0.205 107 D C -0.490 175.944 176.300 0.223 0.000 0.961 107 D CA 2.440 56.577 54.000 0.229 0.000 0.853 107 D CB 1.890 42.800 40.800 0.184 0.000 0.967 107 D HN -0.041 8.522 8.370 0.322 0.000 0.496 108 I N -3.125 117.583 120.570 0.230 0.000 2.571 108 I HA 0.489 4.949 4.170 0.168 -0.189 0.289 108 I C -2.152 174.008 176.117 0.072 0.000 1.115 108 I CA -0.708 60.682 61.300 0.152 0.000 1.045 108 I CB 3.760 41.818 38.000 0.096 0.000 1.238 108 I HN -0.698 7.673 8.210 0.268 0.000 0.424 109 I N 6.524 127.110 120.570 0.027 0.000 2.362 109 I HA 0.461 4.701 4.170 -0.170 -0.172 0.289 109 I C -1.159 174.912 176.117 -0.077 0.000 0.994 109 I CA -1.255 59.987 61.300 -0.096 0.000 1.158 109 I CB 1.983 39.902 38.000 -0.134 0.000 1.315 109 I HN 0.390 8.634 8.210 0.058 0.000 0.451 110 V N 8.823 128.675 119.914 -0.103 0.000 2.370 110 V HA 0.738 5.070 4.120 -0.038 -0.236 0.279 110 V C -0.275 175.777 176.094 -0.070 0.000 1.029 110 V CA -1.628 60.630 62.300 -0.071 0.000 0.870 110 V CB 1.366 33.135 31.823 -0.089 0.000 0.984 110 V HN 0.800 8.911 8.190 -0.132 0.000 0.451 111 T N 2.181 116.722 114.554 -0.022 0.000 2.943 111 T HA 0.914 5.460 4.350 -0.042 -0.221 0.284 111 T C 0.888 175.587 174.700 -0.002 0.000 1.015 111 T CA -2.725 59.368 62.100 -0.011 0.000 1.042 111 T CB 2.449 71.347 68.868 0.050 0.000 1.055 111 T HN 0.393 8.644 8.240 0.020 0.000 0.500 112 V N -6.179 113.737 119.914 0.004 0.000 3.427 112 V HA 0.696 5.046 4.120 -0.006 -0.233 0.305 112 V C -1.446 174.654 176.094 0.010 0.000 1.412 112 V CA -1.639 60.663 62.300 0.004 0.000 1.086 112 V CB 1.150 32.981 31.823 0.013 0.000 0.964 112 V HN -0.142 8.053 8.190 0.009 0.000 0.439 113 E N -2.779 117.432 120.200 0.018 0.000 2.388 113 E HA 0.335 4.856 4.350 -0.001 -0.172 0.281 113 E C -1.193 175.430 176.600 0.039 0.000 1.046 113 E CA -1.133 55.278 56.400 0.017 0.000 0.825 113 E CB 2.636 32.353 29.700 0.029 0.000 1.243 113 E HN -0.797 7.617 8.360 0.028 -0.037 0.438 114 E N 2.746 122.958 120.200 0.021 0.000 2.160 114 E HA -0.401 3.978 4.350 0.047 0.000 0.195 114 E C 1.430 178.104 176.600 0.124 0.000 0.991 114 E CA 3.936 60.368 56.400 0.053 0.000 0.810 114 E CB 0.080 29.784 29.700 0.007 0.000 0.742 114 E HN 0.692 9.054 8.360 0.003 0.000 0.466 115 R N -2.638 117.911 120.500 0.081 0.000 2.092 115 R HA -0.269 4.117 4.340 0.077 0.000 0.231 115 R C 2.430 178.773 176.300 0.071 0.000 1.119 115 R CA 3.084 59.229 56.100 0.075 0.000 0.970 115 R CB -0.186 30.150 30.300 0.060 0.000 0.864 115 R HN 0.091 8.383 8.270 0.063 0.015 0.440 116 V N 0.762 120.717 119.914 0.068 0.000 2.307 116 V HA -0.478 3.654 4.120 0.021 0.000 0.245 116 V C 1.589 177.696 176.094 0.021 0.000 1.045 116 V CA 3.746 66.067 62.300 0.034 0.000 1.024 116 V CB 0.057 31.894 31.823 0.023 0.000 0.651 116 V HN -0.587 7.644 8.190 0.069 0.000 0.449 117 Y N 0.405 120.664 120.300 -0.069 0.000 2.030 117 Y HA -0.672 3.812 4.550 -0.109 0.000 0.272 117 Y C 1.523 177.388 175.900 -0.059 0.000 1.185 117 Y CA 4.021 62.075 58.100 -0.077 0.000 1.120 117 Y CB -0.227 38.203 38.460 -0.049 0.000 0.955 117 Y HN -0.370 8.030 8.280 0.200 0.000 0.495 118 D N -1.919 118.508 120.400 0.045 0.000 2.144 118 D HA -0.311 4.259 4.640 -0.117 0.000 0.199 118 D C 2.710 178.972 176.300 -0.063 0.000 0.984 118 D CA 3.426 57.404 54.000 -0.035 0.000 0.834 118 D CB -0.542 40.293 40.800 0.057 0.000 0.955 118 D HN -0.279 8.195 8.370 0.173 0.000 0.465 119 L N -1.027 120.179 121.223 -0.028 0.000 2.093 119 L HA -0.298 4.056 4.340 0.023 0.000 0.208 119 L C 2.174 179.047 176.870 0.005 0.000 1.085 119 L CA 2.911 57.752 54.840 0.002 0.000 0.755 119 L CB 0.007 42.076 42.059 0.017 0.000 0.904 119 L HN -0.728 7.496 8.230 -0.010 0.000 0.435 120 V N -0.362 119.485 119.914 -0.111 0.000 2.323 120 V HA -0.531 3.587 4.120 -0.004 0.000 0.244 120 V C 1.818 177.880 176.094 -0.053 0.000 1.041 120 V CA 4.729 66.938 62.300 -0.152 0.000 1.025 120 V CB -0.104 31.428 31.823 -0.484 0.000 0.656 120 V HN -0.370 7.723 8.190 -0.161 0.000 0.451 121 V N -0.327 119.453 119.914 -0.223 0.000 2.343 121 V HA -0.585 3.404 4.120 -0.218 0.000 0.247 121 V C 1.741 177.778 176.094 -0.096 0.000 1.051 121 V CA 4.604 66.768 62.300 -0.226 0.000 1.036 121 V CB -0.079 31.514 31.823 -0.384 0.000 0.654 121 V HN -0.358 7.636 8.190 -0.326 0.000 0.451 122 M N -1.397 118.172 119.600 -0.050 0.000 2.229 122 M HA -0.388 4.073 4.480 -0.032 0.000 0.264 122 M C 1.543 177.863 176.300 0.033 0.000 1.063 122 M CA 3.221 58.515 55.300 -0.009 0.000 1.114 122 M CB -0.043 32.562 32.600 0.008 0.000 1.387 122 M HN -0.474 7.779 8.290 -0.061 0.000 0.420 123 H N 0.238 119.311 119.070 0.005 0.000 2.395 123 H HA -0.182 4.379 4.556 0.008 0.000 0.299 123 H C 1.858 177.189 175.328 0.005 0.000 1.070 123 H CA 3.586 59.650 56.048 0.027 0.000 1.356 123 H CB 0.286 30.109 29.762 0.102 0.000 1.401 123 H HN -0.545 7.859 8.280 0.207 0.000 0.524 124 M N -3.779 115.831 119.600 0.017 0.000 2.419 124 M HA -0.192 4.207 4.480 -0.134 0.000 0.264 124 M C 1.087 177.310 176.300 -0.127 0.000 1.082 124 M CA 2.915 58.165 55.300 -0.083 0.000 1.119 124 M CB 0.379 32.944 32.600 -0.058 0.000 1.398 124 M HN -0.662 7.691 8.290 0.104 0.000 0.453 125 E N -4.185 115.955 120.200 -0.099 0.000 2.385 125 E HA -0.059 4.248 4.350 -0.072 0.000 0.194 125 E C 0.958 177.511 176.600 -0.080 0.000 1.013 125 E CA 1.109 57.462 56.400 -0.079 0.000 0.866 125 E CB 0.630 30.293 29.700 -0.063 0.000 0.832 125 E HN -0.576 7.710 8.360 -0.080 0.026 0.500 126 S N -1.887 113.746 115.700 -0.111 0.000 2.461 126 S HA -0.134 4.291 4.470 -0.075 0.000 0.228 126 S C 0.578 175.104 174.600 -0.123 0.000 1.005 126 S CA 1.417 59.551 58.200 -0.110 0.000 0.942 126 S CB 0.426 63.551 63.200 -0.124 0.000 0.776 126 S HN -0.630 7.573 8.310 -0.132 0.028 0.514 127 M N 2.388 121.893 119.600 -0.159 0.000 2.211 127 M HA 0.033 4.445 4.480 -0.113 0.000 0.356 127 M C -0.310 175.952 176.300 -0.063 0.000 1.216 127 M CA -0.973 54.255 55.300 -0.120 0.000 1.134 127 M CB 0.107 32.626 32.600 -0.136 0.000 1.564 127 M HN -0.781 7.372 8.290 -0.191 0.023 0.463 128 E N 4.319 124.494 120.200 -0.042 0.000 2.257 128 E HA -0.085 4.251 4.350 -0.023 0.000 0.278 128 E C -0.392 176.205 176.600 -0.004 0.000 1.049 128 E CA 0.135 56.522 56.400 -0.023 0.000 0.876 128 E CB 0.677 30.364 29.700 -0.022 0.000 1.035 128 E HN 0.091 8.424 8.360 -0.044 0.000 0.419 129 S N 6.407 122.111 115.700 0.007 0.000 2.549 129 S HA -0.138 4.513 4.470 0.058 -0.146 0.286 129 S C -0.021 174.588 174.600 0.016 0.000 1.314 129 S CA 0.367 58.587 58.200 0.033 0.000 1.062 129 S CB 0.596 63.823 63.200 0.045 0.000 0.865 129 S HN 0.364 8.676 8.310 0.003 0.000 0.498 130 V N 2.443 122.379 119.914 0.036 0.000 3.229 130 V HA 0.380 4.499 4.120 -0.001 0.000 0.239 130 V C -0.263 175.843 176.094 0.020 0.000 1.390 130 V CA -0.042 62.267 62.300 0.016 0.000 1.231 130 V CB 1.569 33.401 31.823 0.015 0.000 1.025 130 V HN -0.067 8.046 8.190 0.066 0.116 0.461 131 D N -0.522 119.913 120.400 0.057 0.000 2.271 131 D HA 0.027 4.686 4.640 0.032 0.000 0.206 131 D C 0.035 176.368 176.300 0.055 0.000 0.967 131 D CA 0.953 54.989 54.000 0.059 0.000 0.867 131 D CB -0.160 40.695 40.800 0.091 0.000 0.960 131 D HN -0.279 8.036 8.370 0.090 0.109 0.509 132 N N -4.025 114.710 118.700 0.058 0.000 2.714 132 N HA -0.431 4.250 4.740 -0.099 0.000 0.250 132 N C -0.801 174.810 175.510 0.169 0.000 1.117 132 N CA 1.059 54.093 53.050 -0.025 0.000 0.719 132 N CB -0.716 37.668 38.487 -0.172 0.000 1.081 132 N HN -0.459 7.967 8.380 0.076 0.000 0.557 133 R N -0.116 120.549 120.500 0.274 0.000 2.248 133 R HA 0.315 4.788 4.340 0.223 0.000 0.328 133 R C -2.436 174.075 176.300 0.353 0.000 1.067 133 R CA -1.919 54.348 56.100 0.279 0.000 0.924 133 R CB 0.471 30.903 30.300 0.221 0.000 1.013 133 R HN -0.341 8.045 8.270 0.259 0.038 0.454 134 P HA 0.077 4.392 4.420 -0.433 -0.155 0.268 134 P C -1.689 175.468 177.300 -0.239 0.000 1.204 134 P CA 0.019 63.059 63.100 -0.101 0.000 0.768 134 P CB 0.535 32.215 31.700 -0.033 0.000 0.842 135 V N 2.257 121.895 119.914 -0.459 0.000 2.567 135 V HA 0.337 4.497 4.120 -0.173 -0.144 0.298 135 V C -2.253 173.628 176.094 -0.355 0.000 1.047 135 V CA -1.823 60.310 62.300 -0.277 0.000 0.880 135 V CB 2.672 34.439 31.823 -0.093 0.000 1.009 135 V HN 0.171 7.967 8.190 -0.656 0.000 0.429 136 H N 8.774 127.849 119.070 0.008 0.000 2.668 136 H HA 0.370 5.089 4.556 0.019 -0.151 0.303 136 H C -0.312 175.049 175.328 0.056 0.000 1.074 136 H CA -0.735 55.350 56.048 0.061 0.000 1.406 136 H CB 0.689 30.547 29.762 0.159 0.000 1.442 136 H HN -0.091 8.134 8.280 -0.092 0.000 0.482 137 V N 5.550 125.548 119.914 0.140 0.000 2.383 137 V HA 0.469 4.840 4.120 0.068 -0.211 0.275 137 V C -1.292 174.971 176.094 0.282 0.000 1.036 137 V CA -0.592 61.772 62.300 0.107 0.000 0.889 137 V CB 0.799 32.582 31.823 -0.067 0.000 0.985 137 V HN 0.228 8.468 8.190 0.082 0.000 0.459 138 L N 6.547 127.890 121.223 0.200 0.000 2.376 138 L HA 0.781 5.482 4.340 0.192 -0.246 0.275 138 L C -1.394 175.518 176.870 0.069 0.000 0.987 138 L CA -1.875 53.049 54.840 0.140 0.000 0.828 138 L CB 2.588 44.655 42.059 0.013 0.000 1.249 138 L HN 0.559 8.862 8.230 0.122 0.000 0.409 139 N N 3.578 122.250 118.700 -0.047 0.000 2.426 139 N HA 0.312 5.221 4.740 -0.026 -0.185 0.275 139 N C -1.324 174.119 175.510 -0.111 0.000 1.019 139 N CA -0.468 52.511 53.050 -0.119 0.000 0.941 139 N CB 2.316 40.574 38.487 -0.382 0.000 1.123 139 N HN 0.206 8.502 8.380 -0.140 0.000 0.486 140 V N 6.444 126.319 119.914 -0.065 0.000 2.376 140 V HA 0.239 4.336 4.120 -0.038 0.000 0.287 140 V C -1.500 174.580 176.094 -0.024 0.000 1.015 140 V CA -1.261 61.014 62.300 -0.040 0.000 0.834 140 V CB 1.957 33.760 31.823 -0.033 0.000 1.001 140 V HN 0.403 8.564 8.190 -0.049 0.000 0.428 141 D N 8.703 129.090 120.400 -0.023 0.000 2.487 141 D HA -0.179 4.604 4.640 -0.014 -0.152 0.243 141 D C -0.837 175.463 176.300 0.001 0.000 1.154 141 D CA 1.632 55.624 54.000 -0.013 0.000 0.876 141 D CB -0.058 40.734 40.800 -0.014 0.000 1.161 141 D HN 0.498 8.852 8.370 -0.027 0.000 0.478 142 V N 3.807 123.724 119.914 0.006 0.000 2.443 142 V HA 0.285 4.411 4.120 0.010 0.000 0.293 142 V C -0.876 175.228 176.094 0.017 0.000 1.021 142 V CA -1.392 60.914 62.300 0.011 0.000 0.848 142 V CB 3.010 34.841 31.823 0.014 0.000 0.998 142 V HN -0.079 8.116 8.190 0.007 0.000 0.424 143 V N 7.073 126.996 119.914 0.014 0.000 2.673 143 V HA -0.260 3.873 4.120 0.021 0.000 0.303 143 V C -0.086 176.024 176.094 0.027 0.000 1.046 143 V CA 0.673 62.985 62.300 0.019 0.000 1.126 143 V CB 0.600 32.431 31.823 0.012 0.000 0.934 143 V HN 0.210 8.406 8.190 0.010 0.000 0.487 144 N N 7.817 126.538 118.700 0.035 0.000 3.124 144 N HA 0.009 4.775 4.740 0.043 0.000 0.284 144 N C -1.770 173.767 175.510 0.045 0.000 1.209 144 N CA -0.212 52.864 53.050 0.044 0.000 1.149 144 N CB -1.136 37.383 38.487 0.054 0.000 1.434 144 N HN 0.346 8.748 8.380 0.037 0.000 0.529 145 N N 1.638 120.360 118.700 0.038 0.000 2.732 145 N HA 0.116 4.881 4.740 0.042 0.000 0.259 145 N C -0.834 174.698 175.510 0.036 0.000 1.402 145 N CA -1.217 51.855 53.050 0.036 0.000 0.829 145 N CB 2.209 40.712 38.487 0.027 0.000 1.495 145 N HN -0.622 7.728 8.380 0.033 0.050 0.511 146 A N -0.603 122.239 122.820 0.037 0.000 1.933 146 A HA -0.163 4.190 4.320 0.055 0.000 0.218 146 A C 1.676 179.283 177.584 0.039 0.000 1.175 146 A CA 2.857 54.922 52.037 0.047 0.000 0.628 146 A CB -0.110 18.922 19.000 0.053 0.000 0.814 146 A HN 0.635 8.806 8.150 0.034 0.000 0.444 147 E N -1.695 118.518 120.200 0.021 0.000 2.047 147 E HA -0.280 4.078 4.350 0.013 0.000 0.191 147 E C 2.366 178.969 176.600 0.005 0.000 0.987 147 E CA 3.049 59.454 56.400 0.009 0.000 0.799 147 E CB -0.325 29.370 29.700 -0.007 0.000 0.752 147 E HN -0.435 8.040 8.360 0.016 -0.106 0.449 148 D N -0.620 119.784 120.400 0.006 0.000 2.269 148 D HA -0.111 4.523 4.640 -0.009 0.000 0.208 148 D C 2.123 178.432 176.300 0.015 0.000 0.963 148 D CA 2.754 56.755 54.000 0.003 0.000 0.864 148 D CB -0.142 40.660 40.800 0.004 0.000 0.936 148 D HN -0.155 8.564 8.370 0.009 -0.344 0.505 149 A N 0.164 123.001 122.820 0.028 0.000 1.969 149 A HA -0.250 4.088 4.320 0.030 0.000 0.218 149 A C 1.539 179.149 177.584 0.043 0.000 1.169 149 A CA 3.124 55.182 52.037 0.036 0.000 0.635 149 A CB -0.382 18.645 19.000 0.044 0.000 0.810 149 A HN -0.008 8.142 8.150 0.030 0.018 0.445 150 L N -1.036 120.220 121.223 0.055 0.000 2.044 150 L HA -0.215 4.188 4.340 0.104 0.000 0.205 150 L C 1.715 178.651 176.870 0.111 0.000 1.075 150 L CA 3.042 57.939 54.840 0.096 0.000 0.747 150 L CB -0.136 41.990 42.059 0.111 0.000 0.903 150 L HN -0.754 7.403 8.230 0.049 0.102 0.435 151 M N -2.790 116.825 119.600 0.024 0.000 2.149 151 M HA -0.336 4.096 4.480 -0.079 0.000 0.261 151 M C 2.644 178.962 176.300 0.029 0.000 1.064 151 M CA 1.880 57.168 55.300 -0.020 0.000 1.102 151 M CB -1.664 30.901 32.600 -0.058 0.000 1.369 151 M HN -0.462 7.830 8.290 0.004 0.000 0.408 152 G N -2.291 106.521 108.800 0.019 0.000 2.408 152 G HA2 -0.332 3.638 3.960 0.017 0.000 0.217 152 G HA3 -0.332 3.634 3.960 0.010 0.000 0.217 152 G C 0.395 175.287 174.900 -0.014 0.000 1.150 152 G CA 1.873 46.980 45.100 0.011 0.000 0.776 152 G HN 0.264 8.453 8.290 0.018 0.112 0.542 153 A N 2.450 125.245 122.820 -0.042 0.000 1.877 153 A HA -0.310 3.953 4.320 -0.096 0.000 0.216 153 A C 1.766 179.126 177.584 -0.374 0.000 1.186 153 A CA 2.740 54.682 52.037 -0.159 0.000 0.620 153 A CB -0.510 18.392 19.000 -0.164 0.000 0.822 153 A HN -0.443 7.612 8.150 -0.012 0.087 0.443 154 F N -1.944 117.666 119.950 -0.566 0.000 2.126 154 F HA -0.402 3.571 4.527 -0.922 0.000 0.299 154 F C 2.101 177.781 175.800 -0.200 0.000 1.096 154 F CA 4.729 62.391 58.000 -0.564 0.000 1.255 154 F CB 0.013 38.785 39.000 -0.380 0.000 0.997 154 F HN -0.610 7.671 8.300 -0.031 0.000 0.479 155 V N -0.403 119.561 119.914 0.083 0.000 2.379 155 V HA -0.473 3.773 4.120 0.209 0.000 0.245 155 V C 1.999 178.159 176.094 0.109 0.000 1.044 155 V CA 3.801 66.190 62.300 0.149 0.000 1.036 155 V CB 0.064 31.971 31.823 0.140 0.000 0.664 155 V HN -0.524 7.707 8.190 0.068 0.000 0.453 156 I N -0.637 119.931 120.570 -0.005 0.000 2.454 156 I HA -0.465 3.637 4.170 -0.113 0.000 0.254 156 I C 1.849 177.889 176.117 -0.127 0.000 1.156 156 I CA 4.082 65.332 61.300 -0.084 0.000 1.433 156 I CB -0.415 37.534 38.000 -0.084 0.000 1.082 156 I HN -0.049 8.150 8.210 -0.017 0.000 0.432 157 T N 2.551 117.057 114.554 -0.080 0.000 2.896 157 T HA -0.321 3.905 4.350 -0.205 0.000 0.263 157 T C 1.807 176.494 174.700 -0.022 0.000 1.050 157 T CA 5.381 67.437 62.100 -0.073 0.000 1.140 157 T CB -0.177 68.781 68.868 0.150 0.000 0.877 157 T HN -0.402 7.772 8.240 -0.070 0.024 0.457 158 D N 1.962 122.413 120.400 0.085 0.000 2.178 158 D HA -0.238 4.506 4.640 0.173 0.000 0.201 158 D C 1.825 178.192 176.300 0.113 0.000 0.980 158 D CA 3.302 57.410 54.000 0.180 0.000 0.842 158 D CB -0.476 40.507 40.800 0.306 0.000 0.948 158 D HN -0.585 7.845 8.370 0.101 0.000 0.472 159 M N 0.125 119.655 119.600 -0.118 0.000 2.123 159 M HA -0.316 3.740 4.480 -0.706 0.000 0.263 159 M C 1.348 177.463 176.300 -0.308 0.000 1.069 159 M CA 3.791 58.774 55.300 -0.530 0.000 1.133 159 M CB 0.387 32.480 32.600 -0.845 0.000 1.356 159 M HN -0.685 7.442 8.290 -0.100 0.103 0.415 160 I N -2.196 118.206 120.570 -0.280 0.000 2.361 160 I HA -0.412 3.616 4.170 -0.237 0.000 0.251 160 I C 1.901 177.909 176.117 -0.180 0.000 1.133 160 I CA 2.183 63.306 61.300 -0.295 0.000 1.413 160 I CB -1.475 36.221 38.000 -0.507 0.000 1.073 160 I HN -0.310 7.730 8.210 -0.283 0.000 0.424 161 N N -0.206 118.437 118.700 -0.094 0.000 2.216 161 N HA -0.257 4.705 4.740 0.369 0.000 0.183 161 N C 2.150 177.734 175.510 0.125 0.000 1.017 161 N CA 2.919 56.070 53.050 0.168 0.000 0.861 161 N CB 0.188 38.811 38.487 0.228 0.000 0.986 161 N HN -0.256 8.036 8.380 -0.118 0.018 0.428 162 M N -0.043 119.592 119.600 0.058 0.000 2.132 162 M HA -0.336 4.193 4.480 0.082 0.000 0.263 162 M C 2.220 178.536 176.300 0.026 0.000 1.065 162 M CA 3.617 58.951 55.300 0.057 0.000 1.122 162 M CB 0.163 32.803 32.600 0.067 0.000 1.365 162 M HN -0.686 7.619 8.290 0.025 0.000 0.411 163 M N -2.250 117.340 119.600 -0.017 0.000 2.419 163 M HA -0.162 4.300 4.480 -0.030 0.000 0.264 163 M C 2.066 178.386 176.300 0.034 0.000 1.082 163 M CA 2.819 58.105 55.300 -0.024 0.000 1.119 163 M CB -0.057 32.496 32.600 -0.079 0.000 1.398 163 M HN -0.560 7.702 8.290 -0.048 0.000 0.453 164 A N -2.125 120.746 122.820 0.086 0.000 2.119 164 A HA -0.156 4.240 4.320 0.126 0.000 0.217 164 A C 0.452 178.095 177.584 0.098 0.000 1.153 164 A CA 1.787 53.906 52.037 0.138 0.000 0.692 164 A CB -0.704 18.467 19.000 0.286 0.000 0.799 164 A HN -0.531 7.674 8.150 0.093 0.000 0.458 165 K N -3.150 117.298 120.400 0.079 0.000 2.459 165 K HA -0.072 4.282 4.320 0.056 0.000 0.193 165 K C -0.014 176.613 176.600 0.044 0.000 1.030 165 K CA 0.069 56.391 56.287 0.059 0.000 1.026 165 K CB -0.075 32.460 32.500 0.057 0.000 0.809 165 K HN -0.650 7.611 8.250 0.078 0.036 0.504 166 S N -0.882 114.843 115.700 0.042 0.000 2.523 166 S HA -0.005 4.482 4.470 0.029 0.000 0.275 166 S C 1.255 175.879 174.600 0.040 0.000 1.281 166 S CA 0.364 58.584 58.200 0.034 0.000 1.050 166 S CB 0.614 63.828 63.200 0.023 0.000 0.937 166 S HN -0.699 7.473 8.310 0.045 0.165 0.492 167 T N 2.085 116.660 114.554 0.036 0.000 3.129 167 T HA 0.081 4.455 4.350 0.039 0.000 0.251 167 T C 0.133 174.858 174.700 0.043 0.000 1.117 167 T CA 0.372 62.495 62.100 0.037 0.000 1.034 167 T CB 0.277 69.163 68.868 0.031 0.000 0.968 167 T HN 0.476 8.735 8.240 0.032 0.000 0.526 168 D N 1.655 122.081 120.400 0.044 0.000 2.978 168 D HA 0.152 4.829 4.640 0.061 0.000 0.268 168 D C -0.948 175.386 176.300 0.056 0.000 1.252 168 D CA -0.183 53.849 54.000 0.053 0.000 0.771 168 D CB 0.389 41.216 40.800 0.045 0.000 1.361 168 D HN -0.693 7.641 8.370 0.040 0.060 0.558 169 L N 2.900 124.166 121.223 0.071 0.000 2.042 169 L HA -0.208 4.142 4.340 0.016 0.000 0.210 169 L C 0.676 177.590 176.870 0.072 0.000 1.076 169 L CA 2.419 57.294 54.840 0.059 0.000 0.749 169 L CB 0.144 42.262 42.059 0.098 0.000 0.893 169 L HN 0.280 8.559 8.230 0.081 0.000 0.432 170 D N -4.031 116.473 120.400 0.173 0.000 2.182 170 D HA -0.273 4.600 4.640 0.388 0.000 0.201 170 D C 1.092 177.471 176.300 0.131 0.000 0.986 170 D CA 2.835 56.977 54.000 0.238 0.000 0.847 170 D CB -0.545 40.389 40.800 0.222 0.000 0.942 170 D HN 0.462 8.935 8.370 0.171 0.000 0.467 171 N N -4.189 114.560 118.700 0.081 0.000 2.254 171 N HA 0.172 4.952 4.740 0.066 0.000 0.190 171 N C -0.195 175.328 175.510 0.023 0.000 1.107 171 N CA 0.418 53.501 53.050 0.056 0.000 0.869 171 N CB 1.180 39.700 38.487 0.055 0.000 0.983 171 N HN -0.685 7.721 8.380 0.077 0.020 0.487 172 D N -0.933 119.467 120.400 0.000 0.000 2.388 172 D HA 0.201 4.835 4.640 -0.010 0.000 0.208 172 D C 0.595 176.853 176.300 -0.070 0.000 1.035 172 D CA 0.788 54.775 54.000 -0.021 0.000 0.875 172 D CB 1.562 42.355 40.800 -0.011 0.000 0.984 172 D HN -0.708 7.551 8.370 0.002 0.112 0.508 173 I N 0.340 120.830 120.570 -0.133 0.000 2.226 173 I HA -0.501 3.525 4.170 -0.239 0.000 0.245 173 I C -0.009 175.956 176.117 -0.253 0.000 1.100 173 I CA 3.872 65.012 61.300 -0.266 0.000 1.374 173 I CB 0.073 37.751 38.000 -0.536 0.000 1.057 173 I HN -0.453 7.685 8.210 -0.120 0.000 0.413 174 D N -1.196 119.106 120.400 -0.163 0.000 2.104 174 D HA -0.330 4.218 4.640 -0.154 0.000 0.194 174 D C 2.449 178.708 176.300 -0.068 0.000 0.994 174 D CA 3.988 57.926 54.000 -0.102 0.000 0.830 174 D CB -0.990 39.809 40.800 -0.003 0.000 0.959 174 D HN 0.419 8.722 8.370 -0.111 0.000 0.452 175 E N -0.413 119.761 120.200 -0.043 0.000 2.204 175 E HA -0.212 4.132 4.350 -0.010 0.000 0.194 175 E C 2.691 179.279 176.600 -0.019 0.000 0.989 175 E CA 2.432 58.820 56.400 -0.020 0.000 0.824 175 E CB -0.146 29.549 29.700 -0.007 0.000 0.756 175 E HN -0.453 7.883 8.360 -0.040 0.000 0.477 176 L N -0.606 120.591 121.223 -0.044 0.000 2.072 176 L HA -0.303 4.041 4.340 0.007 0.000 0.205 176 L C 2.138 179.002 176.870 -0.010 0.000 1.079 176 L CA 3.041 57.865 54.840 -0.026 0.000 0.752 176 L CB -0.140 41.883 42.059 -0.061 0.000 0.906 176 L HN -0.522 7.559 8.230 -0.068 0.108 0.436 177 I N -1.049 119.474 120.570 -0.077 0.000 2.179 177 I HA -0.610 3.520 4.170 -0.067 0.000 0.242 177 I C 1.933 178.069 176.117 0.032 0.000 1.088 177 I CA 4.417 65.678 61.300 -0.064 0.000 1.357 177 I CB -0.183 37.721 38.000 -0.160 0.000 1.051 177 I HN -0.097 8.039 8.210 -0.124 0.000 0.409 178 Q N -0.024 119.782 119.800 0.011 0.000 2.084 178 Q HA -0.283 4.310 4.340 0.028 -0.236 0.202 178 Q C 2.056 178.081 176.000 0.042 0.000 0.978 178 Q CA 2.777 58.595 55.803 0.025 0.000 0.844 178 Q CB -0.527 28.218 28.738 0.011 0.000 0.898 178 Q HN -0.447 7.815 8.270 -0.012 0.000 0.426 179 E N 0.152 120.381 120.200 0.049 0.000 2.110 179 E HA -0.290 4.074 4.350 0.024 0.000 0.193 179 E C 2.198 178.839 176.600 0.069 0.000 0.988 179 E CA 2.510 58.939 56.400 0.048 0.000 0.804 179 E CB -0.548 29.181 29.700 0.049 0.000 0.745 179 E HN -0.623 7.762 8.360 0.042 0.000 0.458 180 F N -0.059 119.871 119.950 -0.035 0.000 2.163 180 F HA -0.277 4.235 4.527 -0.025 0.000 0.297 180 F C 1.605 177.386 175.800 -0.031 0.000 1.094 180 F CA 3.631 61.611 58.000 -0.033 0.000 1.290 180 F CB 0.540 39.514 39.000 -0.043 0.000 1.017 180 F HN -0.450 7.911 8.300 0.248 0.087 0.483 181 E N 0.212 120.502 120.200 0.150 0.000 2.051 181 E HA -0.407 4.162 4.350 0.080 -0.171 0.192 181 E C 2.725 179.305 176.600 -0.032 0.000 0.991 181 E CA 3.115 59.551 56.400 0.059 0.000 0.799 181 E CB -0.160 29.576 29.700 0.059 0.000 0.748 181 E HN -0.174 8.297 8.360 0.185 0.000 0.449 182 E N -1.660 118.523 120.200 -0.030 0.000 2.106 182 E HA -0.322 4.004 4.350 -0.039 0.000 0.192 182 E C 2.266 178.815 176.600 -0.085 0.000 0.984 182 E CA 2.736 59.109 56.400 -0.045 0.000 0.806 182 E CB -0.152 29.532 29.700 -0.026 0.000 0.750 182 E HN -0.365 7.991 8.360 -0.007 0.000 0.458 183 R N -1.059 119.361 120.500 -0.134 0.000 2.080 183 R HA -0.163 4.104 4.340 -0.120 0.000 0.222 183 R C 2.263 178.425 176.300 -0.229 0.000 1.107 183 R CA 2.520 58.518 56.100 -0.170 0.000 0.980 183 R CB 0.222 30.410 30.300 -0.186 0.000 0.879 183 R HN -0.633 7.553 8.270 -0.140 0.000 0.439 184 R N -4.319 115.970 120.500 -0.351 0.000 2.312 184 R HA 0.152 4.316 4.340 -0.293 0.000 0.205 184 R C -0.929 175.257 176.300 -0.191 0.000 0.904 184 R CA -1.350 54.535 56.100 -0.357 0.000 1.052 184 R CB 0.311 30.194 30.300 -0.695 0.000 1.014 184 R HN -0.367 7.662 8.270 -0.403 0.000 0.503 185 K N -4.554 115.763 120.400 -0.137 0.000 3.150 185 K HA -0.362 3.989 4.320 -0.061 -0.068 0.267 185 K C -0.844 175.728 176.600 -0.047 0.000 1.028 185 K CA 0.882 57.124 56.287 -0.075 0.000 0.753 185 K CB -3.522 28.938 32.500 -0.066 0.000 1.288 185 K HN -0.332 7.786 8.250 -0.146 0.044 0.473 186 R N -2.756 117.730 120.500 -0.024 0.000 2.604 186 R HA 0.236 4.577 4.340 0.002 0.000 0.281 186 R C -1.902 174.421 176.300 0.038 0.000 1.020 186 R CA -1.715 54.395 56.100 0.016 0.000 0.899 186 R CB 3.202 33.533 30.300 0.053 0.000 1.205 186 R HN -0.776 7.477 8.270 -0.028 0.000 0.450 187 V N 3.452 123.374 119.914 0.014 0.000 2.583 187 V HA -0.147 3.980 4.120 0.012 0.000 0.287 187 V C -1.122 174.966 176.094 -0.009 0.000 1.051 187 V CA -0.012 62.289 62.300 0.002 0.000 1.010 187 V CB 0.674 32.485 31.823 -0.020 0.000 0.988 187 V HN 0.275 8.466 8.190 0.002 0.000 0.478 188 I N 6.298 126.861 120.570 -0.013 0.000 2.406 188 I HA 0.373 4.702 4.170 -0.072 -0.202 0.290 188 I C -0.571 175.498 176.117 -0.080 0.000 0.999 188 I CA -1.812 59.459 61.300 -0.050 0.000 1.124 188 I CB 2.166 40.143 38.000 -0.038 0.000 1.289 188 I HN -0.315 8.194 8.210 -0.001 -0.299 0.441 189 L N 6.200 127.308 121.223 -0.192 0.000 2.326 189 L HA 0.218 4.468 4.340 -0.150 0.000 0.278 189 L C -1.569 175.268 176.870 -0.055 0.000 1.092 189 L CA -0.755 53.920 54.840 -0.275 0.000 0.810 189 L CB 0.914 42.490 42.059 -0.805 0.000 1.153 189 L HN -0.206 7.874 8.230 -0.250 0.000 0.439 190 H N 4.220 123.295 119.070 0.009 0.000 2.877 190 H HA 0.748 5.631 4.556 0.155 -0.234 0.347 190 H C -1.359 174.073 175.328 0.173 0.000 1.042 190 H CA -1.723 54.392 56.048 0.113 0.000 1.276 190 H CB 2.686 32.465 29.762 0.029 0.000 1.681 190 H HN 0.172 8.537 8.280 0.141 0.000 0.521 191 S N 6.293 121.857 115.700 -0.227 0.000 2.538 191 S HA 0.289 4.545 4.470 -0.355 0.000 0.288 191 S C -1.907 172.446 174.600 -0.413 0.000 1.108 191 S CA -0.735 57.270 58.200 -0.324 0.000 0.971 191 S CB 2.578 65.678 63.200 -0.168 0.000 1.041 191 S HN 0.252 8.547 8.310 -0.025 0.000 0.483 192 V N 5.789 125.465 119.914 -0.396 0.000 2.348 192 V HA -0.141 3.765 4.120 -0.358 0.000 0.270 192 V C -1.107 174.646 176.094 -0.568 0.000 1.037 192 V CA -0.004 62.058 62.300 -0.396 0.000 0.872 192 V CB 0.200 31.864 31.823 -0.265 0.000 1.002 192 V HN 0.442 8.418 8.190 -0.356 0.000 0.464 193 L N 6.507 127.322 121.223 -0.680 0.000 2.298 193 L HA 0.424 4.444 4.340 -0.533 0.000 0.268 193 L C -1.647 174.624 176.870 -0.999 0.000 1.010 193 L CA -1.375 53.069 54.840 -0.661 0.000 0.812 193 L CB 3.916 45.731 42.059 -0.407 0.000 1.331 193 L HN -0.000 7.862 8.230 -0.613 0.000 0.450 194 F N -4.128 115.697 119.950 -0.208 0.000 2.574 194 F HA 0.563 5.223 4.527 -0.137 -0.215 0.313 194 F C 0.181 175.877 175.800 -0.174 0.000 1.130 194 F CA -1.146 56.762 58.000 -0.154 0.000 0.936 194 F CB 3.456 42.413 39.000 -0.072 0.000 1.219 194 F HN -0.119 8.078 8.300 -0.172 0.000 0.445 195 Y N 0.000 120.381 120.300 0.135 0.000 2.660 195 Y HA 0.000 4.576 4.550 0.043 0.000 0.201 195 Y CA 0.000 58.139 58.100 0.064 0.000 1.940 195 Y CB 0.000 38.479 38.460 0.032 0.000 1.050 195 Y HN 0.000 8.423 8.280 0.238 0.000 0.758