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 1dfi_1_C DATA FIRST_RESID 2 DATA SEQUENCE GFLSGKRILV TGVASKLSIA YGIAQAMHRE GAELAFTYQN DKLKGRVEEF DATA SEQUENCE AAQLGSDIVL QCDVAEDASI DTMFAELGKV WPKFDGFVHS IGFAPGDQLD DATA SEQUENCE GDYVNAVTRE GFKIAHDISS YSFVAMAKAC RSMLNPGSAL LTLSYLGAER DATA SEQUENCE AIPNYNVMGL AKASLEANVR YMANAMGPEG VRVNAISAGP IRTLXXXXXX DATA SEQUENCE XXXXMLAHCE AVTPIRRTVT IEDVGNSAAF LCSDLSAGIS GEVVHVDGGF DATA SEQUENCE SIAAMNE 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 2 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 2 G C 0.000 174.844 174.900 -0.093 0.000 0.946 2 G CA 0.000 45.009 45.100 -0.152 0.000 0.502 3 F N -0.738 119.211 119.950 -0.002 0.000 2.722 3 F HA 0.390 4.918 4.527 0.001 0.000 0.298 3 F C 1.466 177.258 175.800 -0.013 0.000 1.175 3 F CA 0.449 58.450 58.000 0.001 0.000 1.462 3 F CB -0.155 38.859 39.000 0.023 0.000 1.111 3 F HN 0.140 8.440 8.300 -0.000 0.000 0.592 4 L N -0.403 120.751 121.223 -0.114 0.000 2.693 4 L HA 0.244 4.585 4.340 0.001 0.000 0.235 4 L C 0.722 177.559 176.870 -0.056 0.000 1.127 4 L CA -0.219 54.592 54.840 -0.049 0.000 0.914 4 L CB -0.137 41.850 42.059 -0.120 0.000 1.193 4 L HN -0.045 8.185 8.230 -0.000 0.000 0.502 5 S N 0.448 116.110 115.700 -0.062 0.000 2.563 5 S HA 0.245 4.716 4.470 0.001 0.000 0.294 5 S C 1.166 175.744 174.600 -0.037 0.000 1.279 5 S CA 0.975 59.145 58.200 -0.050 0.000 1.069 5 S CB 0.629 63.804 63.200 -0.042 0.000 0.828 5 S HN 0.638 8.948 8.310 -0.000 0.000 0.497 6 G N 2.663 111.436 108.800 -0.045 0.000 2.176 6 G HA2 -0.173 3.788 3.960 0.001 0.000 0.232 6 G HA3 -0.173 3.788 3.960 0.001 0.000 0.232 6 G C -0.102 174.747 174.900 -0.085 0.000 0.986 6 G CA -0.294 44.773 45.100 -0.055 0.000 0.643 6 G HN 0.531 8.821 8.290 -0.000 0.000 0.522 7 K N 0.014 120.363 120.400 -0.085 0.000 2.156 7 K HA 0.674 4.995 4.320 0.001 0.000 0.250 7 K C -0.057 176.437 176.600 -0.177 0.000 0.955 7 K CA -0.793 55.425 56.287 -0.115 0.000 0.855 7 K CB 1.668 34.127 32.500 -0.067 0.000 1.101 7 K HN 0.195 8.445 8.250 -0.000 0.000 0.434 8 R N 1.900 122.227 120.500 -0.289 0.000 2.371 8 R HA 0.427 4.768 4.340 0.001 0.000 0.312 8 R C -0.537 175.642 176.300 -0.202 0.000 0.980 8 R CA -0.384 55.351 56.100 -0.608 0.000 0.867 8 R CB 0.742 30.236 30.300 -1.343 0.000 1.163 8 R HN 0.390 8.660 8.270 -0.000 0.000 0.492 9 I N 4.404 125.027 120.570 0.088 0.000 2.433 9 I HA 0.257 4.428 4.170 0.001 0.000 0.292 9 I C -0.452 175.944 176.117 0.465 0.000 1.001 9 I CA -1.121 60.363 61.300 0.306 0.000 1.119 9 I CB 1.645 39.743 38.000 0.163 0.000 1.289 9 I HN 0.429 8.639 8.210 -0.000 0.000 0.438 10 L N 7.949 129.508 121.223 0.560 0.000 2.305 10 L HA 0.488 4.829 4.340 0.001 0.000 0.281 10 L C -0.678 176.311 176.870 0.199 0.000 1.085 10 L CA 0.067 55.102 54.840 0.325 0.000 0.813 10 L CB 1.248 43.509 42.059 0.337 0.000 1.157 10 L HN 0.317 8.547 8.230 -0.000 0.000 0.436 11 V N 4.313 124.172 119.914 -0.091 0.000 2.448 11 V HA 0.588 4.709 4.120 0.001 0.000 0.295 11 V C 0.214 176.304 176.094 -0.006 0.000 1.025 11 V CA -0.218 62.030 62.300 -0.087 0.000 0.859 11 V CB 1.698 33.321 31.823 -0.333 0.000 0.988 11 V HN 0.951 9.141 8.190 -0.000 0.000 0.431 12 T N 0.357 114.954 114.554 0.072 0.000 2.940 12 T HA 0.670 5.020 4.350 0.001 0.000 0.288 12 T C 0.743 175.482 174.700 0.064 0.000 1.033 12 T CA 0.008 62.142 62.100 0.057 0.000 1.033 12 T CB 1.643 70.516 68.868 0.008 0.000 1.079 12 T HN 1.889 10.129 8.240 -0.000 0.000 0.496 13 G N 0.685 109.521 108.800 0.060 0.000 2.272 13 G HA2 -0.157 3.804 3.960 0.001 0.000 0.280 13 G HA3 -0.157 3.804 3.960 0.001 0.000 0.280 13 G C -0.102 174.864 174.900 0.110 0.000 1.067 13 G CA -0.076 45.057 45.100 0.056 0.000 0.902 13 G HN 1.130 9.420 8.290 -0.000 0.000 0.500 14 V N -0.076 119.954 119.914 0.194 0.000 2.408 14 V HA 0.582 4.702 4.120 0.001 0.000 0.267 14 V C 1.127 177.317 176.094 0.161 0.000 1.047 14 V CA 0.752 63.162 62.300 0.183 0.000 0.937 14 V CB 1.055 33.049 31.823 0.285 0.000 0.999 14 V HN 0.975 9.165 8.190 -0.000 0.000 0.472 15 A N 3.962 126.833 122.820 0.086 0.000 2.312 15 A HA 0.591 4.911 4.320 0.001 0.000 0.215 15 A C 0.770 178.419 177.584 0.107 0.000 1.256 15 A CA 0.640 52.749 52.037 0.120 0.000 0.966 15 A CB 0.570 19.617 19.000 0.077 0.000 1.053 15 A HN 0.804 8.954 8.150 -0.000 0.000 0.510 16 S N -1.567 114.085 115.700 -0.080 0.000 2.672 16 S HA 0.370 4.841 4.470 0.001 0.000 0.271 16 S C -0.043 174.190 174.600 -0.612 0.000 1.171 16 S CA -0.035 58.038 58.200 -0.212 0.000 0.817 16 S CB 1.022 64.168 63.200 -0.090 0.000 1.150 16 S HN 0.092 8.402 8.310 -0.000 0.000 0.478 17 K N 0.269 120.270 120.400 -0.665 0.000 2.400 17 K HA 0.303 4.624 4.320 0.001 0.000 0.194 17 K C 1.115 177.429 176.600 -0.477 0.000 1.033 17 K CA 0.222 55.884 56.287 -1.041 0.000 1.021 17 K CB -0.158 31.864 32.500 -0.797 0.000 0.808 17 K HN 0.622 8.872 8.250 -0.000 0.000 0.505 18 L N 0.684 121.761 121.223 -0.244 0.000 2.446 18 L HA 0.082 4.422 4.340 0.001 0.000 0.219 18 L C 0.649 177.494 176.870 -0.042 0.000 1.116 18 L CA 0.174 54.954 54.840 -0.100 0.000 0.844 18 L CB 0.050 42.065 42.059 -0.074 0.000 0.970 18 L HN -0.014 8.216 8.230 -0.000 0.000 0.457 19 S N 0.311 115.981 115.700 -0.050 0.000 2.558 19 S HA 0.006 4.476 4.470 0.001 0.000 0.287 19 S C 1.607 176.239 174.600 0.053 0.000 1.321 19 S CA -0.188 58.015 58.200 0.005 0.000 1.048 19 S CB 0.995 64.200 63.200 0.008 0.000 0.844 19 S HN 0.137 8.447 8.310 -0.000 0.000 0.512 20 I N 1.984 122.578 120.570 0.040 0.000 2.315 20 I HA -0.185 3.986 4.170 0.001 0.000 0.248 20 I C 2.451 178.605 176.117 0.061 0.000 1.117 20 I CA 1.148 62.475 61.300 0.045 0.000 1.404 20 I CB -0.617 37.399 38.000 0.027 0.000 1.071 20 I HN 0.783 8.993 8.210 -0.000 0.000 0.419 21 A N 0.174 123.034 122.820 0.066 0.000 1.972 21 A HA -0.291 4.030 4.320 0.001 0.000 0.219 21 A C 2.234 179.884 177.584 0.111 0.000 1.169 21 A CA 1.488 53.577 52.037 0.086 0.000 0.635 21 A CB -0.902 18.156 19.000 0.097 0.000 0.810 21 A HN 0.529 8.679 8.150 -0.000 0.000 0.446 22 Y N 0.564 120.852 120.300 -0.021 0.000 2.163 22 Y HA 0.008 4.559 4.550 0.001 0.000 0.288 22 Y C 2.461 178.359 175.900 -0.004 0.000 1.136 22 Y CA 1.442 59.506 58.100 -0.060 0.000 1.147 22 Y CB -0.715 37.611 38.460 -0.223 0.000 0.987 22 Y HN 0.238 8.518 8.280 -0.000 0.000 0.509 23 G N 0.373 109.220 108.800 0.078 0.000 2.442 23 G HA2 -0.263 3.698 3.960 0.001 0.000 0.219 23 G HA3 -0.263 3.698 3.960 0.001 0.000 0.219 23 G C 1.662 176.551 174.900 -0.018 0.000 1.141 23 G CA 1.393 46.507 45.100 0.023 0.000 0.763 23 G HN 0.495 8.785 8.290 -0.000 0.000 0.554 24 I N 1.278 121.852 120.570 0.008 0.000 2.163 24 I HA -0.111 4.060 4.170 0.001 0.000 0.240 24 I C 3.295 179.412 176.117 -0.000 0.000 1.081 24 I CA 1.011 62.324 61.300 0.022 0.000 1.353 24 I CB -0.264 37.763 38.000 0.045 0.000 1.054 24 I HN 0.222 8.432 8.210 -0.000 0.000 0.407 25 A N 0.026 122.835 122.820 -0.018 0.000 1.883 25 A HA -0.328 3.993 4.320 0.001 0.000 0.217 25 A C 2.316 179.885 177.584 -0.026 0.000 1.186 25 A CA 2.146 54.181 52.037 -0.002 0.000 0.624 25 A CB -0.896 18.163 19.000 0.098 0.000 0.822 25 A HN 0.516 8.666 8.150 -0.000 0.000 0.444 26 Q N -0.747 118.945 119.800 -0.180 0.000 2.045 26 Q HA -0.206 4.135 4.340 0.001 0.000 0.206 26 Q C 2.262 178.256 176.000 -0.011 0.000 0.991 26 Q CA 2.019 57.732 55.803 -0.150 0.000 0.851 26 Q CB -0.370 28.191 28.738 -0.295 0.000 0.911 26 Q HN 0.634 8.904 8.270 -0.000 0.000 0.418 27 A N 0.403 123.210 122.820 -0.021 0.000 1.902 27 A HA -0.185 4.136 4.320 0.001 0.000 0.217 27 A C 2.060 179.627 177.584 -0.028 0.000 1.181 27 A CA 1.633 53.666 52.037 -0.007 0.000 0.623 27 A CB -0.518 18.498 19.000 0.027 0.000 0.818 27 A HN 0.461 8.611 8.150 -0.000 0.000 0.443 28 M N -1.774 117.828 119.600 0.002 0.000 2.132 28 M HA -0.132 4.349 4.480 0.001 0.000 0.263 28 M C 2.257 178.553 176.300 -0.006 0.000 1.065 28 M CA 1.935 57.229 55.300 -0.010 0.000 1.122 28 M CB -0.700 31.918 32.600 0.030 0.000 1.365 28 M HN 0.711 9.001 8.290 -0.000 0.000 0.411 29 H N 0.756 119.799 119.070 -0.046 0.000 2.290 29 H HA -0.121 4.436 4.556 0.001 0.000 0.298 29 H C 2.082 177.377 175.328 -0.055 0.000 1.087 29 H CA 2.092 58.125 56.048 -0.025 0.000 1.291 29 H CB -0.244 29.516 29.762 -0.002 0.000 1.369 29 H HN 0.164 8.444 8.280 -0.000 0.000 0.492 30 R N 0.134 120.530 120.500 -0.175 0.000 2.154 30 R HA -0.134 4.207 4.340 0.001 0.000 0.248 30 R C 1.140 177.276 176.300 -0.274 0.000 1.155 30 R CA 1.758 57.719 56.100 -0.231 0.000 0.979 30 R CB 0.054 30.290 30.300 -0.106 0.000 0.869 30 R HN 0.409 8.679 8.270 -0.000 0.000 0.452 31 E N -1.078 118.935 120.200 -0.312 0.000 2.489 31 E HA 0.059 4.410 4.350 0.001 0.000 0.193 31 E C 0.716 177.117 176.600 -0.331 0.000 1.057 31 E CA 0.729 56.850 56.400 -0.466 0.000 0.866 31 E CB 0.819 29.990 29.700 -0.882 0.000 0.916 31 E HN 0.596 8.956 8.360 -0.000 0.000 0.500 32 G N 0.890 109.536 108.800 -0.257 0.000 2.131 32 G HA2 -0.220 3.741 3.960 0.001 0.000 0.201 32 G HA3 -0.220 3.741 3.960 0.001 0.000 0.201 32 G C 0.392 175.233 174.900 -0.098 0.000 1.000 32 G CA 0.092 45.084 45.100 -0.180 0.000 0.680 32 G HN 0.466 8.756 8.290 -0.000 0.000 0.514 33 A N -0.313 122.469 122.820 -0.063 0.000 2.286 33 A HA 0.719 5.040 4.320 0.001 0.000 0.286 33 A C 0.365 178.005 177.584 0.093 0.000 1.097 33 A CA -0.255 51.783 52.037 0.002 0.000 0.821 33 A CB 0.576 19.582 19.000 0.011 0.000 1.076 33 A HN 0.380 8.530 8.150 -0.000 0.000 0.490 34 E N 0.762 121.014 120.200 0.087 0.000 2.200 34 E HA 0.439 4.789 4.350 0.001 0.000 0.283 34 E C -1.099 175.697 176.600 0.327 0.000 1.015 34 E CA -0.105 56.415 56.400 0.201 0.000 0.819 34 E CB 1.070 30.860 29.700 0.149 0.000 1.081 34 E HN 0.498 8.858 8.360 -0.000 0.000 0.397 35 L N 1.883 123.322 121.223 0.361 0.000 2.331 35 L HA 0.733 5.073 4.340 0.001 0.000 0.275 35 L C -0.102 176.894 176.870 0.209 0.000 1.022 35 L CA -0.820 54.180 54.840 0.266 0.000 0.812 35 L CB 1.675 43.770 42.059 0.060 0.000 1.257 35 L HN 0.512 8.742 8.230 -0.000 0.000 0.435 36 A N 1.951 124.752 122.820 -0.031 0.000 2.423 36 A HA 0.909 5.230 4.320 0.001 0.000 0.304 36 A C -1.443 175.934 177.584 -0.345 0.000 1.104 36 A CA -0.362 51.521 52.037 -0.257 0.000 0.757 36 A CB 1.414 20.005 19.000 -0.682 0.000 1.313 36 A HN 0.499 8.649 8.150 -0.000 0.000 0.423 37 F N -0.405 119.507 119.950 -0.064 0.000 2.603 37 F HA 0.714 5.242 4.527 0.001 0.000 0.317 37 F C 0.700 176.500 175.800 0.000 0.000 1.066 37 F CA 0.039 58.046 58.000 0.012 0.000 0.941 37 F CB 2.874 41.910 39.000 0.060 0.000 1.291 37 F HN 0.741 9.041 8.300 -0.000 0.000 0.472 38 T N -0.776 113.920 114.554 0.236 0.000 2.901 38 T HA 0.797 5.148 4.350 0.001 0.000 0.293 38 T C -1.603 173.227 174.700 0.215 0.000 1.084 38 T CA -0.666 61.491 62.100 0.096 0.000 1.008 38 T CB 2.077 70.880 68.868 -0.110 0.000 1.170 38 T HN 0.619 8.859 8.240 -0.000 0.000 0.509 39 Y N -1.042 119.255 120.300 -0.005 0.000 2.544 39 Y HA 0.566 5.117 4.550 0.001 0.000 0.342 39 Y C 0.966 176.849 175.900 -0.029 0.000 1.062 39 Y CA -1.310 56.791 58.100 0.002 0.000 1.023 39 Y CB 1.334 39.796 38.460 0.003 0.000 1.308 39 Y HN 0.706 8.986 8.280 -0.000 0.000 0.457 40 Q N 1.783 121.567 119.800 -0.027 0.000 1.994 40 Q HA -0.080 4.260 4.340 0.001 0.000 0.198 40 Q C -0.477 175.467 176.000 -0.094 0.000 0.976 40 Q CA 1.974 57.718 55.803 -0.098 0.000 0.828 40 Q CB 0.149 28.860 28.738 -0.045 0.000 0.894 40 Q HN 0.951 9.221 8.270 -0.000 0.000 0.432 41 N N -1.651 117.085 118.700 0.060 0.000 2.697 41 N HA 0.083 4.823 4.740 0.001 0.000 0.272 41 N C -0.189 175.443 175.510 0.204 0.000 1.381 41 N CA -0.397 52.703 53.050 0.082 0.000 0.797 41 N CB 0.351 38.847 38.487 0.015 0.000 1.523 41 N HN -0.215 8.165 8.380 -0.000 0.000 0.518 42 D N 0.250 120.731 120.400 0.134 0.000 2.192 42 D HA -0.239 4.402 4.640 0.001 0.000 0.189 42 D C 1.025 177.346 176.300 0.034 0.000 1.007 42 D CA 2.075 56.132 54.000 0.096 0.000 0.859 42 D CB -0.043 40.781 40.800 0.040 0.000 0.936 42 D HN 0.659 9.029 8.370 -0.000 0.000 0.447 43 K N 0.107 120.521 120.400 0.023 0.000 2.113 43 K HA -0.125 4.196 4.320 0.001 0.000 0.208 43 K C 2.131 178.715 176.600 -0.026 0.000 1.047 43 K CA 0.679 56.962 56.287 -0.007 0.000 0.928 43 K CB -0.011 32.489 32.500 0.000 0.000 0.716 43 K HN 0.133 8.383 8.250 -0.000 0.000 0.446 44 L N 1.544 122.775 121.223 0.013 0.000 2.072 44 L HA -0.079 4.261 4.340 0.001 0.000 0.205 44 L C 2.308 179.076 176.870 -0.171 0.000 1.079 44 L CA 1.530 56.367 54.840 -0.006 0.000 0.752 44 L CB -1.043 41.085 42.059 0.116 0.000 0.906 44 L HN 0.219 8.449 8.230 -0.000 0.000 0.436 45 K N -0.116 120.084 120.400 -0.333 0.000 2.137 45 K HA -0.288 4.033 4.320 0.001 0.000 0.216 45 K C 1.921 178.247 176.600 -0.456 0.000 1.052 45 K CA 2.117 57.973 56.287 -0.719 0.000 0.939 45 K CB -0.418 31.735 32.500 -0.578 0.000 0.724 45 K HN 0.418 8.668 8.250 -0.000 0.000 0.465 46 G N 0.208 108.825 108.800 -0.305 0.000 2.511 46 G HA2 -0.302 3.659 3.960 0.001 0.000 0.216 46 G HA3 -0.302 3.659 3.960 0.001 0.000 0.216 46 G C 1.483 176.164 174.900 -0.364 0.000 1.218 46 G CA 1.156 46.091 45.100 -0.276 0.000 0.788 46 G HN 0.327 8.617 8.290 -0.000 0.000 0.560 47 R N -0.396 119.889 120.500 -0.357 0.000 2.097 47 R HA -0.104 4.237 4.340 0.001 0.000 0.236 47 R C 2.837 178.551 176.300 -0.976 0.000 1.135 47 R CA 1.857 57.604 56.100 -0.589 0.000 0.934 47 R CB -0.733 29.438 30.300 -0.215 0.000 0.846 47 R HN 0.246 8.516 8.270 -0.000 0.000 0.431 48 V N 1.089 120.727 119.914 -0.460 0.000 2.252 48 V HA -0.311 3.810 4.120 0.001 0.000 0.249 48 V C 2.072 177.914 176.094 -0.420 0.000 1.056 48 V CA 2.262 64.398 62.300 -0.274 0.000 1.022 48 V CB -0.582 31.154 31.823 -0.144 0.000 0.641 48 V HN 0.454 8.644 8.190 -0.000 0.000 0.445 49 E N -0.540 119.411 120.200 -0.415 0.000 2.171 49 E HA -0.297 4.053 4.350 0.001 0.000 0.197 49 E C 2.273 178.672 176.600 -0.336 0.000 0.997 49 E CA 1.500 57.699 56.400 -0.335 0.000 0.810 49 E CB -0.098 29.425 29.700 -0.295 0.000 0.738 49 E HN 0.734 9.094 8.360 -0.000 0.000 0.467 50 E N -0.157 119.760 120.200 -0.472 0.000 2.072 50 E HA -0.160 4.191 4.350 0.001 0.000 0.190 50 E C 1.641 178.052 176.600 -0.315 0.000 0.982 50 E CA 0.830 56.968 56.400 -0.436 0.000 0.803 50 E CB 0.033 29.390 29.700 -0.571 0.000 0.755 50 E HN 0.140 8.500 8.360 -0.000 0.000 0.453 51 F N 0.852 120.694 119.950 -0.179 0.000 2.146 51 F HA 0.032 4.560 4.527 0.001 0.000 0.298 51 F C 2.366 178.005 175.800 -0.269 0.000 1.096 51 F CA 0.843 58.762 58.000 -0.134 0.000 1.275 51 F CB -1.201 37.726 39.000 -0.122 0.000 1.008 51 F HN 0.094 8.394 8.300 -0.000 0.000 0.480 52 A N 0.517 123.151 122.820 -0.310 0.000 1.865 52 A HA -0.116 4.205 4.320 0.001 0.000 0.217 52 A C 2.519 180.030 177.584 -0.121 0.000 1.191 52 A CA 2.253 54.061 52.037 -0.382 0.000 0.623 52 A CB -1.409 17.371 19.000 -0.366 0.000 0.826 52 A HN 0.305 8.455 8.150 -0.000 0.000 0.444 53 A N -1.011 121.740 122.820 -0.115 0.000 1.892 53 A HA -0.311 4.010 4.320 0.001 0.000 0.218 53 A C 2.185 179.743 177.584 -0.044 0.000 1.188 53 A CA 2.035 54.031 52.037 -0.069 0.000 0.631 53 A CB -0.778 18.172 19.000 -0.083 0.000 0.822 53 A HN 0.662 8.812 8.150 -0.000 0.000 0.447 54 Q N -0.858 118.929 119.800 -0.022 0.000 2.308 54 Q HA -0.110 4.230 4.340 0.001 0.000 0.209 54 Q C 0.713 176.682 176.000 -0.051 0.000 0.985 54 Q CA 1.220 57.035 55.803 0.021 0.000 0.881 54 Q CB -0.146 28.671 28.738 0.132 0.000 0.917 54 Q HN 0.719 8.989 8.270 -0.000 0.000 0.443 55 L N -1.190 119.956 121.223 -0.128 0.000 3.168 55 L HA 0.366 4.707 4.340 0.001 0.000 0.277 55 L C 0.674 177.311 176.870 -0.389 0.000 1.245 55 L CA 0.017 54.611 54.840 -0.409 0.000 1.035 55 L CB 0.659 42.564 42.059 -0.257 0.000 1.399 55 L HN 0.185 8.415 8.230 -0.000 0.000 0.580 56 G N 0.985 109.704 108.800 -0.135 0.000 2.295 56 G HA2 -0.280 3.681 3.960 0.001 0.000 0.287 56 G HA3 -0.280 3.681 3.960 0.001 0.000 0.287 56 G C 0.026 174.960 174.900 0.057 0.000 1.055 56 G CA 0.727 45.824 45.100 -0.005 0.000 0.922 56 G HN 0.411 8.701 8.290 -0.000 0.000 0.503 57 S N -1.158 114.577 115.700 0.059 0.000 2.526 57 S HA 0.604 5.075 4.470 0.001 0.000 0.293 57 S C 0.111 174.741 174.600 0.051 0.000 1.092 57 S CA -0.153 58.114 58.200 0.113 0.000 0.980 57 S CB 1.924 65.280 63.200 0.260 0.000 1.048 57 S HN 0.150 8.460 8.310 -0.000 0.000 0.483 58 D N 2.930 123.350 120.400 0.034 0.000 2.395 58 D HA 0.309 4.949 4.640 0.001 0.000 0.213 58 D C -0.201 176.081 176.300 -0.030 0.000 1.110 58 D CA 0.047 54.042 54.000 -0.008 0.000 0.835 58 D CB 0.154 40.948 40.800 -0.009 0.000 0.965 58 D HN 0.620 8.990 8.370 -0.000 0.000 0.505 59 I N 1.442 122.000 120.570 -0.020 0.000 2.307 59 I HA 0.240 4.411 4.170 0.001 0.000 0.287 59 I C -0.616 175.510 176.117 0.015 0.000 1.054 59 I CA -0.617 60.630 61.300 -0.087 0.000 1.218 59 I CB 1.550 39.373 38.000 -0.294 0.000 1.398 59 I HN -0.344 7.866 8.210 -0.000 0.000 0.475 60 V N 7.581 127.504 119.914 0.014 0.000 2.419 60 V HA 0.412 4.533 4.120 0.001 0.000 0.287 60 V C -0.381 175.822 176.094 0.183 0.000 1.017 60 V CA -0.465 61.900 62.300 0.108 0.000 0.844 60 V CB 1.633 33.455 31.823 -0.001 0.000 1.011 60 V HN 0.394 8.584 8.190 -0.000 0.000 0.429 61 L N 3.467 124.794 121.223 0.173 0.000 2.342 61 L HA 0.603 4.944 4.340 0.001 0.000 0.271 61 L C 0.032 176.751 176.870 -0.253 0.000 1.008 61 L CA -0.408 54.449 54.840 0.028 0.000 0.818 61 L CB 1.495 43.464 42.059 -0.149 0.000 1.296 61 L HN 0.547 8.777 8.230 -0.000 0.000 0.427 62 Q N 1.370 120.832 119.800 -0.564 0.000 2.259 62 Q HA 0.461 4.802 4.340 0.001 0.000 0.249 62 Q C -1.435 174.235 176.000 -0.549 0.000 0.914 62 Q CA -0.077 55.071 55.803 -1.093 0.000 0.904 62 Q CB 1.680 29.942 28.738 -0.793 0.000 1.213 62 Q HN 0.798 9.068 8.270 -0.000 0.000 0.428 63 C N 3.997 123.004 119.300 -0.488 0.000 2.817 63 C HA 0.281 4.742 4.460 0.001 0.000 0.385 63 C C -1.569 173.290 174.990 -0.219 0.000 1.050 63 C CA -0.730 58.107 59.018 -0.301 0.000 1.245 63 C CB 1.273 28.837 27.740 -0.295 0.000 1.706 63 C HN 0.873 9.103 8.230 -0.000 0.000 0.488 64 D N 3.360 123.664 120.400 -0.160 0.000 2.427 64 D HA 0.272 4.912 4.640 0.001 0.000 0.226 64 D C 1.224 177.488 176.300 -0.061 0.000 1.076 64 D CA -0.181 53.755 54.000 -0.107 0.000 0.849 64 D CB 1.738 42.481 40.800 -0.095 0.000 1.052 64 D HN 0.571 8.941 8.370 -0.000 0.000 0.515 65 V N 2.497 122.391 119.914 -0.034 0.000 2.913 65 V HA -0.054 4.067 4.120 0.001 0.000 0.260 65 V C 2.085 178.219 176.094 0.068 0.000 1.098 65 V CA 1.378 63.694 62.300 0.027 0.000 1.121 65 V CB -0.972 30.892 31.823 0.068 0.000 0.714 65 V HN 0.477 8.667 8.190 -0.000 0.000 0.487 66 A N 0.335 123.176 122.820 0.035 0.000 2.076 66 A HA -0.082 4.239 4.320 0.001 0.000 0.220 66 A C 1.143 178.757 177.584 0.050 0.000 1.160 66 A CA 1.180 53.246 52.037 0.048 0.000 0.653 66 A CB -0.412 18.591 19.000 0.005 0.000 0.801 66 A HN 0.776 8.926 8.150 -0.000 0.000 0.455 67 E N -0.210 120.010 120.200 0.033 0.000 2.165 67 E HA 0.231 4.582 4.350 0.001 0.000 0.266 67 E C -0.703 175.926 176.600 0.047 0.000 0.889 67 E CA -0.689 55.730 56.400 0.031 0.000 0.756 67 E CB 1.327 31.028 29.700 0.002 0.000 1.131 67 E HN 0.137 8.497 8.360 -0.000 0.000 0.411 68 D N 2.453 122.894 120.400 0.068 0.000 2.182 68 D HA -0.178 4.462 4.640 0.001 0.000 0.201 68 D C 1.730 178.062 176.300 0.053 0.000 0.986 68 D CA 1.207 55.257 54.000 0.083 0.000 0.847 68 D CB 0.002 40.855 40.800 0.090 0.000 0.942 68 D HN 0.546 8.916 8.370 -0.000 0.000 0.467 69 A N 0.575 123.413 122.820 0.031 0.000 1.858 69 A HA -0.203 4.117 4.320 0.001 0.000 0.216 69 A C 2.343 179.927 177.584 -0.000 0.000 1.190 69 A CA 2.259 54.306 52.037 0.016 0.000 0.617 69 A CB -0.895 18.108 19.000 0.005 0.000 0.827 69 A HN 0.256 8.406 8.150 -0.000 0.000 0.443 70 S N -0.457 115.232 115.700 -0.019 0.000 2.382 70 S HA -0.136 4.334 4.470 0.001 0.000 0.228 70 S C 1.907 176.464 174.600 -0.072 0.000 1.027 70 S CA 1.512 59.677 58.200 -0.058 0.000 0.991 70 S CB -0.605 62.550 63.200 -0.076 0.000 0.823 70 S HN 0.463 8.773 8.310 -0.000 0.000 0.469 71 I N 1.477 122.028 120.570 -0.031 0.000 2.163 71 I HA -0.143 4.027 4.170 0.001 0.000 0.240 71 I C 2.313 178.465 176.117 0.058 0.000 1.081 71 I CA 1.421 62.710 61.300 -0.018 0.000 1.353 71 I CB -0.511 37.527 38.000 0.063 0.000 1.054 71 I HN 0.253 8.463 8.210 -0.000 0.000 0.407 72 D N 0.578 121.031 120.400 0.088 0.000 2.133 72 D HA -0.167 4.473 4.640 0.001 0.000 0.195 72 D C 2.197 178.546 176.300 0.082 0.000 0.997 72 D CA 1.798 55.868 54.000 0.117 0.000 0.840 72 D CB -0.349 40.496 40.800 0.075 0.000 0.947 72 D HN 0.295 8.665 8.370 -0.000 0.000 0.452 73 T N 1.441 116.005 114.554 0.016 0.000 2.674 73 T HA -0.157 4.194 4.350 0.001 0.000 0.265 73 T C 1.859 176.525 174.700 -0.057 0.000 1.039 73 T CA 0.939 63.029 62.100 -0.017 0.000 1.150 73 T CB -0.222 68.622 68.868 -0.041 0.000 0.864 73 T HN 0.100 8.340 8.240 -0.000 0.000 0.427 74 M N 0.407 119.926 119.600 -0.135 0.000 2.089 74 M HA -0.135 4.345 4.480 0.001 0.000 0.257 74 M C 1.721 177.856 176.300 -0.275 0.000 1.071 74 M CA 1.932 57.075 55.300 -0.261 0.000 1.096 74 M CB -0.792 31.562 32.600 -0.409 0.000 1.330 74 M HN 0.249 8.539 8.290 -0.000 0.000 0.403 75 F N 0.219 120.119 119.950 -0.083 0.000 2.325 75 F HA 0.025 4.552 4.527 0.001 0.000 0.299 75 F C 2.556 178.328 175.800 -0.048 0.000 1.090 75 F CA 1.049 59.006 58.000 -0.072 0.000 1.392 75 F CB -1.115 37.874 39.000 -0.018 0.000 1.053 75 F HN 0.250 8.550 8.300 -0.000 0.000 0.521 76 A N -0.045 122.848 122.820 0.120 0.000 1.873 76 A HA -0.175 4.146 4.320 0.001 0.000 0.215 76 A C 2.205 179.806 177.584 0.028 0.000 1.186 76 A CA 1.647 53.727 52.037 0.073 0.000 0.616 76 A CB -0.692 18.334 19.000 0.044 0.000 0.823 76 A HN 0.360 8.510 8.150 -0.000 0.000 0.442 77 E N -0.734 119.454 120.200 -0.019 0.000 2.110 77 E HA -0.198 4.153 4.350 0.001 0.000 0.193 77 E C 1.966 178.518 176.600 -0.079 0.000 0.988 77 E CA 1.337 57.705 56.400 -0.053 0.000 0.804 77 E CB -0.267 29.382 29.700 -0.085 0.000 0.745 77 E HN 0.541 8.901 8.360 -0.000 0.000 0.458 78 L N 0.494 121.653 121.223 -0.105 0.000 2.141 78 L HA 0.007 4.347 4.340 0.001 0.000 0.209 78 L C 2.118 178.953 176.870 -0.058 0.000 1.094 78 L CA 1.963 56.700 54.840 -0.172 0.000 0.763 78 L CB -0.593 41.317 42.059 -0.248 0.000 0.908 78 L HN 0.036 8.266 8.230 -0.000 0.000 0.437 79 G N -0.854 107.972 108.800 0.043 0.000 2.625 79 G HA2 -0.193 3.768 3.960 0.001 0.000 0.214 79 G HA3 -0.193 3.768 3.960 0.001 0.000 0.214 79 G C 1.581 176.530 174.900 0.082 0.000 1.132 79 G CA 0.540 45.704 45.100 0.107 0.000 0.782 79 G HN 0.416 8.706 8.290 -0.000 0.000 0.538 80 K N -0.084 120.334 120.400 0.030 0.000 2.007 80 K HA -0.034 4.286 4.320 0.001 0.000 0.206 80 K C 2.699 179.323 176.600 0.040 0.000 1.047 80 K CA 1.576 57.878 56.287 0.025 0.000 0.937 80 K CB -0.197 32.300 32.500 -0.005 0.000 0.718 80 K HN 0.348 8.598 8.250 -0.000 0.000 0.438 81 V N -2.248 117.667 119.914 0.002 0.000 2.446 81 V HA -0.002 4.119 4.120 0.001 0.000 0.244 81 V C 0.453 176.706 176.094 0.265 0.000 1.039 81 V CA 0.434 62.757 62.300 0.039 0.000 1.045 81 V CB -0.306 31.424 31.823 -0.155 0.000 0.681 81 V HN 0.212 8.402 8.190 -0.000 0.000 0.459 82 W N 2.142 123.448 121.300 0.009 0.000 2.443 82 W HA 0.546 5.207 4.660 0.001 0.000 0.303 82 W C -2.187 174.375 176.519 0.072 0.000 0.991 82 W CA -3.049 54.319 57.345 0.039 0.000 1.522 82 W CB 0.521 29.982 29.460 0.002 0.000 1.315 82 W HN 0.167 8.347 8.180 -0.000 0.000 0.419 83 P HA -0.108 4.312 4.420 -0.000 0.000 0.223 83 P C 0.253 177.702 177.300 0.248 0.000 1.151 83 P CA 1.450 64.679 63.100 0.215 0.000 0.787 83 P CB 0.883 32.671 31.700 0.147 0.000 0.788 84 K N -0.234 120.332 120.400 0.276 0.000 2.469 84 K HA 0.533 4.854 4.320 0.001 0.000 0.254 84 K C -0.386 176.426 176.600 0.354 0.000 0.939 84 K CA -0.591 55.850 56.287 0.258 0.000 0.812 84 K CB 2.410 34.968 32.500 0.096 0.000 1.301 84 K HN -0.026 8.224 8.250 -0.000 0.000 0.433 85 F N -1.567 118.387 119.950 0.007 0.000 2.779 85 F HA 0.462 4.990 4.527 0.001 0.000 0.316 85 F C -0.479 175.286 175.800 -0.058 0.000 1.164 85 F CA -1.089 56.865 58.000 -0.077 0.000 0.924 85 F CB 0.849 39.899 39.000 0.083 0.000 1.348 85 F HN 0.334 8.634 8.300 -0.000 0.000 0.467 86 D N 0.536 120.830 120.400 -0.176 0.000 2.424 86 D HA 0.459 5.100 4.640 0.001 0.000 0.220 86 D C 0.610 176.784 176.300 -0.210 0.000 1.150 86 D CA 0.837 54.704 54.000 -0.221 0.000 0.831 86 D CB 0.786 41.503 40.800 -0.139 0.000 0.981 86 D HN 1.098 9.468 8.370 -0.000 0.000 0.500 87 G N 1.315 109.957 108.800 -0.265 0.000 2.354 87 G HA2 0.177 4.138 3.960 0.001 0.000 0.582 87 G HA3 0.177 4.138 3.960 0.001 0.000 0.582 87 G C -1.323 173.761 174.900 0.308 0.000 1.316 87 G CA -0.927 44.102 45.100 -0.118 0.000 0.995 87 G HN 0.138 8.428 8.290 -0.000 0.000 0.573 88 F N -2.106 117.987 119.950 0.239 0.000 2.643 88 F HA 0.854 5.381 4.527 0.001 0.000 0.314 88 F C -0.680 175.272 175.800 0.253 0.000 1.096 88 F CA -1.641 56.547 58.000 0.313 0.000 0.953 88 F CB 1.612 40.874 39.000 0.437 0.000 1.345 88 F HN 0.541 8.841 8.300 -0.000 0.000 0.468 89 V N 1.947 122.139 119.914 0.464 0.000 2.384 89 V HA 0.268 4.388 4.120 0.001 0.000 0.287 89 V C -0.764 175.597 176.094 0.445 0.000 1.020 89 V CA -0.483 62.011 62.300 0.323 0.000 0.850 89 V CB 1.083 33.013 31.823 0.179 0.000 0.987 89 V HN 0.931 9.121 8.190 -0.000 0.000 0.436 90 H N 4.078 123.337 119.070 0.314 0.000 2.685 90 H HA 0.362 4.918 4.556 0.001 0.000 0.286 90 H C -0.331 175.038 175.328 0.068 0.000 1.102 90 H CA -0.029 56.178 56.048 0.266 0.000 1.254 90 H CB 1.456 31.410 29.762 0.321 0.000 1.397 90 H HN 0.591 8.871 8.280 -0.000 0.000 0.473 91 S N 7.144 122.745 115.700 -0.165 0.000 2.384 91 S HA 0.361 4.831 4.470 0.001 0.000 0.227 91 S C -0.404 174.090 174.600 -0.177 0.000 1.257 91 S CA -0.584 57.546 58.200 -0.117 0.000 1.249 91 S CB -0.739 62.457 63.200 -0.008 0.000 1.018 91 S HN 0.584 8.894 8.310 -0.000 0.000 0.478 92 I N 1.620 121.967 120.570 -0.373 0.000 2.436 92 I HA 0.676 4.847 4.170 0.001 0.000 0.289 92 I C 0.306 176.389 176.117 -0.057 0.000 1.010 92 I CA -0.799 60.361 61.300 -0.233 0.000 1.098 92 I CB 2.156 39.950 38.000 -0.342 0.000 1.266 92 I HN 0.439 8.649 8.210 -0.000 0.000 0.434 93 G N 5.449 114.268 108.800 0.033 0.000 2.759 93 G HA2 0.686 4.647 3.960 0.001 0.000 0.297 93 G HA3 0.686 4.647 3.960 0.001 0.000 0.297 93 G C -2.041 172.958 174.900 0.165 0.000 1.434 93 G CA -0.399 44.751 45.100 0.082 0.000 0.980 93 G HN 0.401 8.691 8.290 -0.000 0.000 0.531 94 F N 1.277 121.215 119.950 -0.021 0.000 2.650 94 F HA 0.790 5.318 4.527 0.001 0.000 0.310 94 F C -0.980 174.800 175.800 -0.032 0.000 1.112 94 F CA -0.401 57.586 58.000 -0.021 0.000 0.986 94 F CB 2.004 41.002 39.000 -0.003 0.000 1.285 94 F HN 1.040 9.340 8.300 -0.000 0.000 0.440 95 A N 5.049 127.202 122.820 -1.111 0.000 2.574 95 A HA 0.817 5.137 4.320 0.001 0.000 0.297 95 A C -3.134 173.709 177.584 -1.236 0.000 1.062 95 A CA -1.721 49.779 52.037 -0.895 0.000 0.686 95 A CB 1.560 20.293 19.000 -0.444 0.000 1.285 95 A HN 0.412 8.562 8.150 -0.000 0.000 0.403 96 P HA 0.179 4.599 4.420 -0.000 0.000 0.268 96 P C 1.232 178.385 177.300 -0.244 0.000 1.208 96 P CA 0.646 63.529 63.100 -0.360 0.000 0.777 96 P CB 0.769 32.423 31.700 -0.076 0.000 0.875 97 G N 2.163 110.893 108.800 -0.117 0.000 2.432 97 G HA2 -0.238 3.723 3.960 0.001 0.000 0.219 97 G HA3 -0.238 3.723 3.960 0.001 0.000 0.219 97 G C 1.095 175.969 174.900 -0.043 0.000 1.135 97 G CA 0.651 45.709 45.100 -0.070 0.000 0.767 97 G HN 0.635 8.925 8.290 -0.000 0.000 0.550 98 D N 0.256 120.641 120.400 -0.025 0.000 2.149 98 D HA -0.172 4.469 4.640 0.001 0.000 0.198 98 D C 1.924 178.218 176.300 -0.010 0.000 0.990 98 D CA 0.937 54.932 54.000 -0.008 0.000 0.839 98 D CB -0.371 40.431 40.800 0.003 0.000 0.948 98 D HN 0.219 8.589 8.370 -0.000 0.000 0.460 99 Q N 0.281 120.064 119.800 -0.028 0.000 2.181 99 Q HA 0.009 4.350 4.340 0.001 0.000 0.205 99 Q C 2.110 178.109 176.000 -0.002 0.000 0.980 99 Q CA 0.589 56.384 55.803 -0.013 0.000 0.862 99 Q CB -0.186 28.522 28.738 -0.050 0.000 0.905 99 Q HN 0.515 8.785 8.270 -0.000 0.000 0.429 100 L N 0.835 122.038 121.223 -0.033 0.000 2.737 100 L HA 0.204 4.545 4.340 0.001 0.000 0.236 100 L C -0.194 176.685 176.870 0.016 0.000 1.219 100 L CA -0.233 54.594 54.840 -0.021 0.000 1.021 100 L CB -0.024 41.999 42.059 -0.060 0.000 1.291 100 L HN -0.066 8.164 8.230 -0.000 0.000 0.470 101 D N 0.160 120.576 120.400 0.027 0.000 2.696 101 D HA 0.556 5.197 4.640 0.001 0.000 0.251 101 D C 0.373 176.700 176.300 0.044 0.000 1.188 101 D CA 0.575 54.596 54.000 0.034 0.000 0.876 101 D CB 1.711 42.524 40.800 0.021 0.000 1.334 101 D HN 0.193 8.563 8.370 -0.000 0.000 0.540 102 G N 3.622 112.454 108.800 0.053 0.000 2.642 102 G HA2 -0.227 3.734 3.960 0.001 0.000 0.231 102 G HA3 -0.227 3.734 3.960 0.001 0.000 0.231 102 G C -0.241 174.709 174.900 0.083 0.000 1.338 102 G CA -0.270 44.863 45.100 0.056 0.000 0.883 102 G HN 0.779 9.069 8.290 -0.000 0.000 0.570 103 D N -0.541 119.902 120.400 0.072 0.000 2.570 103 D HA 0.138 4.779 4.640 0.001 0.000 0.243 103 D C 1.329 177.698 176.300 0.116 0.000 1.171 103 D CA 0.923 54.976 54.000 0.088 0.000 0.879 103 D CB 0.097 40.927 40.800 0.049 0.000 1.143 103 D HN 0.695 9.065 8.370 -0.000 0.000 0.511 104 Y N 4.257 124.579 120.300 0.038 0.000 2.165 104 Y HA -0.210 4.341 4.550 0.001 0.000 0.286 104 Y C 1.651 177.576 175.900 0.041 0.000 1.155 104 Y CA 1.469 59.594 58.100 0.043 0.000 1.164 104 Y CB -0.417 38.078 38.460 0.057 0.000 0.978 104 Y HN 0.398 8.678 8.280 -0.000 0.000 0.513 105 V N 1.191 120.987 119.914 -0.197 0.000 2.407 105 V HA -0.307 3.814 4.120 0.001 0.000 0.248 105 V C 2.001 177.966 176.094 -0.214 0.000 1.055 105 V CA 2.173 64.283 62.300 -0.317 0.000 1.049 105 V CB -0.725 31.024 31.823 -0.124 0.000 0.662 105 V HN 0.448 8.638 8.190 -0.000 0.000 0.455 106 N N 0.242 118.878 118.700 -0.107 0.000 2.354 106 N HA 0.014 4.755 4.740 0.001 0.000 0.179 106 N C 1.794 177.263 175.510 -0.068 0.000 1.021 106 N CA 1.370 54.377 53.050 -0.070 0.000 0.887 106 N CB -0.271 38.199 38.487 -0.029 0.000 0.974 106 N HN 0.488 8.868 8.380 -0.000 0.000 0.437 107 A N 0.683 123.465 122.820 -0.064 0.000 1.898 107 A HA 0.039 4.360 4.320 0.001 0.000 0.214 107 A C 1.196 178.753 177.584 -0.044 0.000 1.183 107 A CA 0.190 52.209 52.037 -0.029 0.000 0.622 107 A CB -0.597 18.418 19.000 0.026 0.000 0.824 107 A HN 0.092 8.242 8.150 -0.000 0.000 0.444 108 V N 1.570 121.413 119.914 -0.118 0.000 2.901 108 V HA 0.374 4.495 4.120 0.001 0.000 0.307 108 V C 0.540 176.611 176.094 -0.038 0.000 1.084 108 V CA 1.160 63.419 62.300 -0.068 0.000 1.184 108 V CB 0.878 32.596 31.823 -0.176 0.000 0.941 108 V HN 0.803 8.993 8.190 -0.000 0.000 0.493 109 T N 3.184 117.756 114.554 0.029 0.000 2.883 109 T HA 0.417 4.767 4.350 0.001 0.000 0.301 109 T C 0.690 175.418 174.700 0.046 0.000 1.158 109 T CA -0.330 61.778 62.100 0.013 0.000 1.007 109 T CB 1.516 70.396 68.868 0.019 0.000 1.186 109 T HN 0.661 8.901 8.240 -0.000 0.000 0.499 110 R N 0.297 120.794 120.500 -0.005 0.000 2.083 110 R HA -0.144 4.197 4.340 0.001 0.000 0.237 110 R C 2.038 178.389 176.300 0.085 0.000 1.137 110 R CA 2.121 58.211 56.100 -0.017 0.000 0.951 110 R CB -0.388 29.878 30.300 -0.056 0.000 0.851 110 R HN 0.789 9.059 8.270 -0.000 0.000 0.434 111 E N -0.501 119.743 120.200 0.074 0.000 2.077 111 E HA -0.086 4.265 4.350 0.001 0.000 0.193 111 E C 1.767 178.452 176.600 0.141 0.000 0.989 111 E CA 1.713 58.173 56.400 0.099 0.000 0.800 111 E CB -0.594 29.149 29.700 0.071 0.000 0.746 111 E HN 0.501 8.861 8.360 -0.000 0.000 0.452 112 G N -0.496 108.381 108.800 0.128 0.000 2.432 112 G HA2 -0.273 3.688 3.960 0.001 0.000 0.219 112 G HA3 -0.273 3.688 3.960 0.001 0.000 0.219 112 G C 1.496 176.509 174.900 0.189 0.000 1.135 112 G CA 0.786 45.957 45.100 0.119 0.000 0.767 112 G HN 0.384 8.674 8.290 -0.000 0.000 0.550 113 F N 1.015 121.010 119.950 0.075 0.000 2.234 113 F HA 0.231 4.758 4.527 0.000 0.000 0.296 113 F C 2.464 178.366 175.800 0.169 0.000 1.089 113 F CA 1.388 59.471 58.000 0.140 0.000 1.343 113 F CB -0.106 38.937 39.000 0.071 0.000 1.040 113 F HN 0.060 8.360 8.300 -0.000 0.000 0.498 114 K N 0.658 121.318 120.400 0.433 0.000 2.009 114 K HA -0.180 4.140 4.320 0.001 0.000 0.210 114 K C 2.136 178.852 176.600 0.194 0.000 1.049 114 K CA 2.280 58.739 56.287 0.286 0.000 0.929 114 K CB -0.407 32.211 32.500 0.197 0.000 0.714 114 K HN 0.349 8.599 8.250 -0.000 0.000 0.440 115 I N 0.517 121.195 120.570 0.181 0.000 2.127 115 I HA -0.313 3.857 4.170 0.001 0.000 0.241 115 I C 2.421 178.642 176.117 0.173 0.000 1.075 115 I CA 1.321 62.735 61.300 0.190 0.000 1.334 115 I CB -0.408 37.729 38.000 0.229 0.000 1.040 115 I HN 0.268 8.478 8.210 -0.000 0.000 0.405 116 A N 0.217 123.091 122.820 0.089 0.000 1.892 116 A HA -0.303 4.018 4.320 0.001 0.000 0.218 116 A C 2.083 179.634 177.584 -0.055 0.000 1.188 116 A CA 2.218 54.241 52.037 -0.024 0.000 0.631 116 A CB -1.127 17.798 19.000 -0.126 0.000 0.822 116 A HN 0.468 8.618 8.150 -0.000 0.000 0.447 117 H N -1.050 117.945 119.070 -0.126 0.000 2.357 117 H HA -0.046 4.510 4.556 0.001 0.000 0.301 117 H C 1.971 177.337 175.328 0.063 0.000 1.082 117 H CA 1.539 57.529 56.048 -0.096 0.000 1.342 117 H CB -0.229 29.401 29.762 -0.220 0.000 1.389 117 H HN 0.642 8.922 8.280 -0.000 0.000 0.511 118 D N 0.106 120.631 120.400 0.208 0.000 2.077 118 D HA -0.135 4.505 4.640 0.001 0.000 0.193 118 D C 1.933 178.384 176.300 0.252 0.000 0.989 118 D CA 1.207 55.343 54.000 0.226 0.000 0.831 118 D CB -0.070 40.830 40.800 0.167 0.000 0.979 118 D HN 0.097 8.467 8.370 -0.000 0.000 0.449 119 I N 0.452 121.149 120.570 0.212 0.000 2.252 119 I HA -0.143 4.028 4.170 0.001 0.000 0.245 119 I C 2.381 178.626 176.117 0.213 0.000 1.102 119 I CA 1.049 62.476 61.300 0.211 0.000 1.385 119 I CB -1.345 36.798 38.000 0.238 0.000 1.064 119 I HN 0.026 8.236 8.210 -0.000 0.000 0.414 120 S N -0.547 115.247 115.700 0.158 0.000 2.446 120 S HA -0.026 4.444 4.470 0.001 0.000 0.225 120 S C 2.027 176.717 174.600 0.149 0.000 1.016 120 S CA 1.097 59.378 58.200 0.134 0.000 0.943 120 S CB 0.231 63.443 63.200 0.021 0.000 0.786 120 S HN 0.472 8.782 8.310 -0.000 0.000 0.508 121 S N -0.398 115.380 115.700 0.131 0.000 2.979 121 S HA 0.153 4.623 4.470 0.001 0.000 0.243 121 S C 1.531 176.235 174.600 0.174 0.000 1.036 121 S CA -0.302 57.974 58.200 0.127 0.000 0.846 121 S CB -0.695 62.553 63.200 0.079 0.000 0.806 121 S HN 0.406 8.716 8.310 -0.000 0.000 0.568 122 Y N 3.505 123.882 120.300 0.129 0.000 2.207 122 Y HA -0.139 4.412 4.550 0.001 0.000 0.287 122 Y C 2.558 178.547 175.900 0.148 0.000 1.156 122 Y CA 2.208 60.382 58.100 0.123 0.000 1.182 122 Y CB -0.759 37.765 38.460 0.107 0.000 0.979 122 Y HN 0.487 8.767 8.280 -0.000 0.000 0.521 123 S N -0.231 115.552 115.700 0.139 0.000 2.407 123 S HA -0.301 4.170 4.470 0.001 0.000 0.235 123 S C 1.958 176.624 174.600 0.110 0.000 1.036 123 S CA 1.380 59.669 58.200 0.149 0.000 1.013 123 S CB -1.479 61.912 63.200 0.319 0.000 0.820 123 S HN 0.498 8.808 8.310 -0.000 0.000 0.476 124 F N 2.242 122.074 119.950 -0.196 0.000 2.051 124 F HA 0.008 4.535 4.527 0.001 0.000 0.296 124 F C 2.529 178.261 175.800 -0.113 0.000 1.122 124 F CA 1.259 59.052 58.000 -0.345 0.000 1.201 124 F CB -1.007 37.635 39.000 -0.596 0.000 0.978 124 F HN 0.169 8.469 8.300 -0.000 0.000 0.472 125 V N 0.493 120.224 119.914 -0.305 0.000 2.667 125 V HA -0.080 4.040 4.120 0.001 0.000 0.252 125 V C 2.358 178.248 176.094 -0.341 0.000 1.065 125 V CA 1.557 63.632 62.300 -0.374 0.000 1.083 125 V CB -0.891 30.768 31.823 -0.272 0.000 0.692 125 V HN 0.443 8.633 8.190 -0.000 0.000 0.468 126 A N -0.191 122.334 122.820 -0.491 0.000 1.902 126 A HA -0.232 4.089 4.320 0.001 0.000 0.217 126 A C 2.186 179.727 177.584 -0.072 0.000 1.181 126 A CA 2.366 54.205 52.037 -0.331 0.000 0.623 126 A CB -0.503 18.308 19.000 -0.315 0.000 0.818 126 A HN 0.559 8.709 8.150 -0.000 0.000 0.443 127 M N -0.640 118.948 119.600 -0.020 0.000 2.229 127 M HA -0.103 4.377 4.480 0.001 0.000 0.264 127 M C 2.470 178.794 176.300 0.041 0.000 1.063 127 M CA 1.263 56.592 55.300 0.050 0.000 1.114 127 M CB -0.338 32.148 32.600 -0.189 0.000 1.387 127 M HN 0.486 8.776 8.290 -0.000 0.000 0.420 128 A N 0.257 123.120 122.820 0.073 0.000 1.898 128 A HA -0.166 4.155 4.320 0.001 0.000 0.216 128 A C 2.182 179.731 177.584 -0.059 0.000 1.181 128 A CA 1.579 53.651 52.037 0.058 0.000 0.620 128 A CB -0.581 18.347 19.000 -0.119 0.000 0.819 128 A HN 0.387 8.537 8.150 -0.000 0.000 0.442 129 K N -0.270 120.087 120.400 -0.072 0.000 2.063 129 K HA -0.150 4.170 4.320 0.001 0.000 0.208 129 K C 2.145 178.707 176.600 -0.063 0.000 1.048 129 K CA 1.335 57.588 56.287 -0.057 0.000 0.928 129 K CB -0.292 32.189 32.500 -0.032 0.000 0.713 129 K HN 0.399 8.649 8.250 -0.000 0.000 0.442 130 A N 0.570 123.348 122.820 -0.068 0.000 1.969 130 A HA -0.143 4.178 4.320 0.001 0.000 0.218 130 A C 2.244 179.639 177.584 -0.315 0.000 1.169 130 A CA 1.501 53.484 52.037 -0.088 0.000 0.635 130 A CB -0.558 18.502 19.000 0.101 0.000 0.810 130 A HN 0.687 8.837 8.150 -0.000 0.000 0.445 131 C N -2.256 116.715 119.300 -0.548 0.000 2.884 131 C HA 0.506 4.967 4.460 0.001 0.000 0.287 131 C C 2.082 176.941 174.990 -0.218 0.000 1.310 131 C CA -0.084 58.587 59.018 -0.578 0.000 1.725 131 C CB -1.363 25.749 27.740 -1.046 0.000 2.060 131 C HN 0.615 8.845 8.230 -0.000 0.000 0.618 132 R N 1.872 122.275 120.500 -0.161 0.000 2.119 132 R HA -0.153 4.187 4.340 0.001 0.000 0.246 132 R C 2.114 178.357 176.300 -0.095 0.000 1.146 132 R CA 2.248 58.279 56.100 -0.115 0.000 0.962 132 R CB -0.356 29.892 30.300 -0.085 0.000 0.863 132 R HN 0.563 8.833 8.270 -0.000 0.000 0.442 133 S N -0.011 115.649 115.700 -0.067 0.000 2.453 133 S HA -0.031 4.440 4.470 0.001 0.000 0.231 133 S C 1.514 176.105 174.600 -0.015 0.000 1.005 133 S CA 1.134 59.313 58.200 -0.035 0.000 0.949 133 S CB 0.052 63.245 63.200 -0.012 0.000 0.774 133 S HN 0.361 8.671 8.310 -0.000 0.000 0.510 134 M N 0.845 120.448 119.600 0.005 0.000 2.561 134 M HA 0.215 4.696 4.480 0.001 0.000 0.238 134 M C -0.408 175.853 176.300 -0.065 0.000 1.131 134 M CA 0.307 55.665 55.300 0.097 0.000 1.046 134 M CB -0.149 32.669 32.600 0.365 0.000 1.532 134 M HN 0.086 8.376 8.290 -0.000 0.000 0.497 135 L N 1.474 122.574 121.223 -0.204 0.000 2.305 135 L HA 0.234 4.575 4.340 0.001 0.000 0.281 135 L C 0.242 176.992 176.870 -0.201 0.000 1.085 135 L CA -0.553 54.084 54.840 -0.337 0.000 0.813 135 L CB 0.250 42.111 42.059 -0.330 0.000 1.157 135 L HN 0.143 8.373 8.230 -0.000 0.000 0.436 136 N N 3.348 121.927 118.700 -0.202 0.000 2.503 136 N HA 0.266 5.007 4.740 0.001 0.000 0.267 136 N C -2.368 173.065 175.510 -0.128 0.000 1.214 136 N CA -1.416 51.557 53.050 -0.129 0.000 0.959 136 N CB 0.620 39.036 38.487 -0.117 0.000 1.142 136 N HN 0.255 8.635 8.380 -0.000 0.000 0.455 137 P HA 0.109 4.529 4.420 -0.000 0.000 0.268 137 P C 0.630 177.873 177.300 -0.095 0.000 1.205 137 P CA 0.538 63.585 63.100 -0.089 0.000 0.771 137 P CB 0.459 32.118 31.700 -0.068 0.000 0.858 138 G N 1.038 109.779 108.800 -0.099 0.000 2.175 138 G HA2 -0.214 3.746 3.960 0.001 0.000 0.244 138 G HA3 -0.214 3.746 3.960 0.001 0.000 0.244 138 G C 0.385 175.213 174.900 -0.120 0.000 0.982 138 G CA -0.096 44.944 45.100 -0.100 0.000 0.641 138 G HN 0.556 8.846 8.290 -0.000 0.000 0.527 139 S N -0.001 115.611 115.700 -0.146 0.000 2.600 139 S HA 0.701 5.172 4.470 0.001 0.000 0.265 139 S C 0.464 174.963 174.600 -0.167 0.000 1.325 139 S CA 0.490 58.583 58.200 -0.178 0.000 1.002 139 S CB 1.675 64.727 63.200 -0.247 0.000 0.921 139 S HN 1.760 10.070 8.310 -0.000 0.000 0.554 140 A N 1.763 124.480 122.820 -0.172 0.000 2.427 140 A HA 0.690 5.011 4.320 0.001 0.000 0.298 140 A C -1.070 176.395 177.584 -0.197 0.000 1.036 140 A CA -0.717 51.224 52.037 -0.159 0.000 0.701 140 A CB 0.783 19.709 19.000 -0.123 0.000 1.250 140 A HN 0.696 8.846 8.150 -0.000 0.000 0.412 141 L N 2.118 123.211 121.223 -0.217 0.000 2.334 141 L HA 0.797 5.138 4.340 0.001 0.000 0.276 141 L C -0.827 176.024 176.870 -0.032 0.000 1.014 141 L CA -0.937 53.733 54.840 -0.282 0.000 0.815 141 L CB 1.731 43.530 42.059 -0.432 0.000 1.268 141 L HN 0.704 8.934 8.230 -0.000 0.000 0.428 142 L N 1.429 122.672 121.223 0.034 0.000 2.445 142 L HA 0.737 5.078 4.340 0.001 0.000 0.262 142 L C -0.612 176.245 176.870 -0.022 0.000 0.974 142 L CA 0.237 55.099 54.840 0.037 0.000 0.822 142 L CB 2.502 44.576 42.059 0.025 0.000 1.339 142 L HN 0.632 8.862 8.230 -0.000 0.000 0.409 143 T N 3.457 117.895 114.554 -0.193 0.000 2.865 143 T HA 0.652 5.002 4.350 0.001 0.000 0.294 143 T C -1.733 172.887 174.700 -0.132 0.000 1.119 143 T CA -0.616 61.299 62.100 -0.307 0.000 1.007 143 T CB 1.002 69.288 68.868 -0.969 0.000 1.225 143 T HN 0.493 8.733 8.240 -0.000 0.000 0.515 144 L N 2.774 123.959 121.223 -0.064 0.000 2.322 144 L HA 0.642 4.983 4.340 0.001 0.000 0.281 144 L C 0.227 177.096 176.870 -0.002 0.000 1.014 144 L CA -0.504 54.325 54.840 -0.018 0.000 0.815 144 L CB 1.534 43.599 42.059 0.009 0.000 1.247 144 L HN 0.696 8.926 8.230 -0.000 0.000 0.421 145 S N 2.313 118.021 115.700 0.013 0.000 2.841 145 S HA 0.761 5.232 4.470 0.001 0.000 0.318 145 S C -1.713 172.978 174.600 0.151 0.000 1.127 145 S CA -0.280 57.956 58.200 0.060 0.000 0.883 145 S CB 1.954 65.162 63.200 0.014 0.000 1.271 145 S HN 0.437 8.747 8.310 -0.000 0.000 0.567 146 Y N 0.127 120.413 120.300 -0.023 0.000 2.609 146 Y HA 0.424 4.975 4.550 0.002 0.000 0.336 146 Y C 0.139 175.995 175.900 -0.074 0.000 1.129 146 Y CA -0.866 57.191 58.100 -0.072 0.000 1.040 146 Y CB 0.892 39.269 38.460 -0.139 0.000 1.310 146 Y HN 0.519 8.799 8.280 -0.000 0.000 0.460 147 L N 3.241 123.987 121.223 -0.795 0.000 2.189 147 L HA -0.009 4.332 4.340 0.001 0.000 0.214 147 L C 2.011 178.617 176.870 -0.440 0.000 1.097 147 L CA 2.659 57.167 54.840 -0.552 0.000 0.764 147 L CB -0.965 40.772 42.059 -0.537 0.000 0.900 147 L HN 1.013 9.243 8.230 -0.000 0.000 0.436 148 G N -1.442 106.976 108.800 -0.637 0.000 2.479 148 G HA2 -0.247 3.713 3.960 0.001 0.000 0.220 148 G HA3 -0.247 3.713 3.960 0.001 0.000 0.220 148 G C 1.589 176.521 174.900 0.053 0.000 1.115 148 G CA 0.717 45.671 45.100 -0.242 0.000 0.757 148 G HN 0.608 8.898 8.290 -0.000 0.000 0.560 149 A N 0.457 123.309 122.820 0.054 0.000 2.015 149 A HA 0.075 4.396 4.320 0.001 0.000 0.219 149 A C 2.133 179.744 177.584 0.045 0.000 1.163 149 A CA 1.698 53.784 52.037 0.080 0.000 0.646 149 A CB -0.134 18.910 19.000 0.073 0.000 0.806 149 A HN 0.467 8.617 8.150 -0.000 0.000 0.448 150 E N -1.237 118.971 120.200 0.014 0.000 2.290 150 E HA 0.097 4.448 4.350 0.001 0.000 0.197 150 E C 0.380 176.981 176.600 0.001 0.000 0.948 150 E CA 0.092 56.502 56.400 0.018 0.000 0.895 150 E CB 0.326 30.043 29.700 0.029 0.000 0.865 150 E HN 0.390 8.750 8.360 -0.000 0.000 0.486 151 R N 0.183 120.670 120.500 -0.022 0.000 2.888 151 R HA 0.611 4.952 4.340 0.001 0.000 0.266 151 R C -1.001 175.293 176.300 -0.010 0.000 1.020 151 R CA -0.808 55.282 56.100 -0.017 0.000 0.963 151 R CB 1.720 32.004 30.300 -0.027 0.000 1.197 151 R HN -0.068 8.202 8.270 -0.000 0.000 0.481 152 A N 2.786 125.606 122.820 0.001 0.000 2.347 152 A HA 0.399 4.720 4.320 0.001 0.000 0.287 152 A C 0.042 177.638 177.584 0.021 0.000 1.199 152 A CA -0.209 51.832 52.037 0.007 0.000 0.851 152 A CB -0.043 18.961 19.000 0.007 0.000 1.118 152 A HN 0.503 8.653 8.150 -0.000 0.000 0.525 153 I N 4.190 124.787 120.570 0.045 0.000 2.378 153 I HA 0.271 4.442 4.170 0.001 0.000 0.291 153 I C -2.249 173.933 176.117 0.108 0.000 0.992 153 I CA -2.186 59.152 61.300 0.063 0.000 1.154 153 I CB 1.998 40.010 38.000 0.021 0.000 1.315 153 I HN 0.417 8.627 8.210 -0.000 0.000 0.448 154 P HA 0.036 4.456 4.420 -0.000 0.000 0.263 154 P C 0.139 177.513 177.300 0.123 0.000 1.175 154 P CA 0.452 63.606 63.100 0.091 0.000 0.761 154 P CB 0.249 31.988 31.700 0.064 0.000 0.794 155 N N 0.002 118.775 118.700 0.120 0.000 2.946 155 N HA -0.304 4.437 4.740 0.001 0.000 0.228 155 N C 0.854 176.454 175.510 0.150 0.000 0.873 155 N CA 1.333 54.454 53.050 0.118 0.000 1.029 155 N CB -1.706 36.837 38.487 0.093 0.000 1.047 155 N HN 0.496 8.876 8.380 -0.000 0.000 0.612 156 Y N 2.142 122.467 120.300 0.042 0.000 2.314 156 Y HA -0.134 4.416 4.550 0.001 0.000 0.293 156 Y C 1.454 177.360 175.900 0.011 0.000 1.129 156 Y CA 1.897 60.021 58.100 0.040 0.000 1.201 156 Y CB 0.058 38.568 38.460 0.084 0.000 0.999 156 Y HN 0.131 8.411 8.280 -0.000 0.000 0.541 157 N N -0.716 118.004 118.700 0.033 0.000 1.127 157 N HA -0.357 4.383 4.740 0.001 0.000 0.124 157 N C 1.252 176.660 175.510 -0.171 0.000 0.690 157 N CA 1.853 54.874 53.050 -0.048 0.000 0.874 157 N CB -1.513 37.098 38.487 0.206 0.000 1.192 157 N HN 0.252 8.632 8.380 -0.000 0.000 0.573 158 V N 0.826 120.757 119.914 0.029 0.000 2.828 158 V HA -0.171 3.949 4.120 0.001 0.000 0.260 158 V C 2.281 178.260 176.094 -0.192 0.000 1.101 158 V CA 1.769 64.097 62.300 0.046 0.000 1.123 158 V CB -0.405 31.547 31.823 0.215 0.000 0.704 158 V HN 0.366 8.556 8.190 -0.000 0.000 0.493 159 M N 0.081 119.444 119.600 -0.395 0.000 2.213 159 M HA -0.041 4.439 4.480 0.001 0.000 0.263 159 M C 2.230 178.304 176.300 -0.375 0.000 1.062 159 M CA 1.723 56.677 55.300 -0.577 0.000 1.105 159 M CB -1.838 30.070 32.600 -1.153 0.000 1.385 159 M HN 0.458 8.748 8.290 -0.000 0.000 0.417 160 G N -0.236 108.441 108.800 -0.206 0.000 2.422 160 G HA2 -0.163 3.797 3.960 0.001 0.000 0.218 160 G HA3 -0.163 3.797 3.960 0.001 0.000 0.218 160 G C 1.447 176.362 174.900 0.025 0.000 1.146 160 G CA 0.577 45.780 45.100 0.171 0.000 0.769 160 G HN 0.357 8.647 8.290 -0.000 0.000 0.547 161 L N 1.065 122.252 121.223 -0.061 0.000 2.109 161 L HA 0.205 4.546 4.340 0.001 0.000 0.207 161 L C 3.200 179.948 176.870 -0.203 0.000 1.086 161 L CA 1.569 56.401 54.840 -0.013 0.000 0.760 161 L CB -0.705 41.441 42.059 0.145 0.000 0.910 161 L HN 0.250 8.480 8.230 -0.000 0.000 0.437 162 A N -0.951 121.560 122.820 -0.516 0.000 1.930 162 A HA -0.139 4.182 4.320 0.001 0.000 0.217 162 A C 2.251 179.687 177.584 -0.246 0.000 1.175 162 A CA 1.210 52.809 52.037 -0.730 0.000 0.627 162 A CB -0.288 18.297 19.000 -0.692 0.000 0.815 162 A HN 0.193 8.343 8.150 -0.000 0.000 0.443 163 K N 0.030 120.377 120.400 -0.089 0.000 2.211 163 K HA 0.049 4.369 4.320 0.001 0.000 0.203 163 K C 2.163 178.783 176.600 0.034 0.000 1.050 163 K CA 1.152 57.457 56.287 0.029 0.000 0.945 163 K CB -0.656 31.941 32.500 0.161 0.000 0.732 163 K HN 0.453 8.703 8.250 -0.000 0.000 0.451 164 A N 0.917 123.755 122.820 0.031 0.000 1.898 164 A HA -0.150 4.171 4.320 0.001 0.000 0.216 164 A C 2.433 180.059 177.584 0.069 0.000 1.181 164 A CA 2.082 54.154 52.037 0.058 0.000 0.620 164 A CB -0.710 18.333 19.000 0.072 0.000 0.819 164 A HN 0.306 8.456 8.150 -0.000 0.000 0.442 165 S N -0.590 115.144 115.700 0.057 0.000 2.370 165 S HA -0.144 4.327 4.470 0.001 0.000 0.226 165 S C 1.955 176.611 174.600 0.093 0.000 1.033 165 S CA 1.439 59.696 58.200 0.094 0.000 1.011 165 S CB -0.473 62.797 63.200 0.116 0.000 0.852 165 S HN 0.486 8.796 8.310 -0.000 0.000 0.457 166 L N 1.128 122.385 121.223 0.057 0.000 1.989 166 L HA -0.138 4.202 4.340 0.001 0.000 0.211 166 L C 2.551 179.471 176.870 0.084 0.000 1.071 166 L CA 2.114 56.991 54.840 0.062 0.000 0.749 166 L CB -0.701 41.362 42.059 0.008 0.000 0.890 166 L HN 0.497 8.727 8.230 -0.000 0.000 0.431 167 E N -0.516 119.723 120.200 0.066 0.000 2.204 167 E HA -0.203 4.147 4.350 0.001 0.000 0.195 167 E C 2.016 178.683 176.600 0.112 0.000 0.990 167 E CA 1.034 57.476 56.400 0.069 0.000 0.821 167 E CB -0.046 29.686 29.700 0.053 0.000 0.750 167 E HN 0.570 8.930 8.360 -0.000 0.000 0.477 168 A N 1.442 124.348 122.820 0.142 0.000 1.970 168 A HA -0.136 4.185 4.320 0.001 0.000 0.216 168 A C 1.952 179.712 177.584 0.292 0.000 1.170 168 A CA 0.923 53.092 52.037 0.219 0.000 0.645 168 A CB -0.281 18.853 19.000 0.224 0.000 0.816 168 A HN 0.097 8.247 8.150 -0.000 0.000 0.447 169 N N 0.589 119.421 118.700 0.219 0.000 2.120 169 N HA -0.132 4.609 4.740 0.001 0.000 0.188 169 N C 1.634 177.286 175.510 0.237 0.000 1.024 169 N CA 1.691 54.875 53.050 0.224 0.000 0.852 169 N CB -0.437 38.181 38.487 0.217 0.000 1.003 169 N HN 0.162 8.542 8.380 -0.000 0.000 0.424 170 V N 1.548 121.605 119.914 0.238 0.000 2.282 170 V HA -0.252 3.869 4.120 0.001 0.000 0.249 170 V C 2.418 178.584 176.094 0.120 0.000 1.057 170 V CA 1.797 64.225 62.300 0.214 0.000 1.032 170 V CB -0.399 31.517 31.823 0.155 0.000 0.645 170 V HN 0.369 8.559 8.190 -0.000 0.000 0.447 171 R N -1.561 119.001 120.500 0.102 0.000 2.075 171 R HA -0.140 4.201 4.340 0.001 0.000 0.232 171 R C 2.311 178.568 176.300 -0.072 0.000 1.126 171 R CA 1.781 57.878 56.100 -0.004 0.000 0.963 171 R CB -0.474 29.794 30.300 -0.052 0.000 0.858 171 R HN 0.503 8.773 8.270 -0.000 0.000 0.435 172 Y N 0.655 120.969 120.300 0.022 0.000 2.242 172 Y HA -0.107 4.444 4.550 0.000 0.000 0.291 172 Y C 2.432 178.322 175.900 -0.016 0.000 1.137 172 Y CA 1.349 59.455 58.100 0.009 0.000 1.181 172 Y CB -0.146 38.326 38.460 0.021 0.000 0.989 172 Y HN -0.035 8.245 8.280 -0.000 0.000 0.527 173 M N -0.986 118.678 119.600 0.108 0.000 2.117 173 M HA -0.197 4.283 4.480 0.001 0.000 0.262 173 M C 2.461 178.739 176.300 -0.036 0.000 1.065 173 M CA 1.661 56.957 55.300 -0.007 0.000 1.114 173 M CB -0.384 32.156 32.600 -0.100 0.000 1.361 173 M HN 0.293 8.583 8.290 -0.000 0.000 0.408 174 A N 0.276 123.080 122.820 -0.026 0.000 1.930 174 A HA -0.176 4.145 4.320 0.001 0.000 0.217 174 A C 1.858 179.408 177.584 -0.056 0.000 1.175 174 A CA 2.112 54.121 52.037 -0.046 0.000 0.627 174 A CB -0.847 18.132 19.000 -0.035 0.000 0.815 174 A HN 0.518 8.668 8.150 -0.000 0.000 0.443 175 N N -0.037 118.624 118.700 -0.065 0.000 2.270 175 N HA 0.015 4.756 4.740 0.001 0.000 0.181 175 N C 1.640 177.123 175.510 -0.045 0.000 1.016 175 N CA 1.569 54.575 53.050 -0.073 0.000 0.870 175 N CB -0.271 38.141 38.487 -0.124 0.000 0.979 175 N HN 0.330 8.710 8.380 -0.000 0.000 0.431 176 A N 0.113 122.918 122.820 -0.025 0.000 1.874 176 A HA 0.060 4.381 4.320 0.001 0.000 0.214 176 A C 2.068 179.630 177.584 -0.036 0.000 1.189 176 A CA 1.001 53.029 52.037 -0.015 0.000 0.615 176 A CB -0.300 18.704 19.000 0.006 0.000 0.830 176 A HN 0.346 8.496 8.150 -0.000 0.000 0.443 177 M N -0.442 119.125 119.600 -0.054 0.000 2.541 177 M HA 0.084 4.565 4.480 0.001 0.000 0.252 177 M C 2.075 178.332 176.300 -0.072 0.000 1.125 177 M CA 0.603 55.860 55.300 -0.072 0.000 1.091 177 M CB -0.072 32.468 32.600 -0.100 0.000 1.420 177 M HN 0.475 8.765 8.290 -0.000 0.000 0.486 178 G N 2.191 110.952 108.800 -0.064 0.000 2.469 178 G HA2 -0.177 3.784 3.960 0.001 0.000 0.219 178 G HA3 -0.177 3.784 3.960 0.001 0.000 0.219 178 G C -1.014 173.852 174.900 -0.057 0.000 1.150 178 G CA 0.669 45.731 45.100 -0.062 0.000 0.763 178 G HN 0.351 8.641 8.290 -0.000 0.000 0.561 179 P HA 0.000 4.420 4.420 -0.000 0.000 0.225 179 P C 1.255 178.528 177.300 -0.045 0.000 1.148 179 P CA 1.142 64.217 63.100 -0.042 0.000 0.779 179 P CB 0.102 31.781 31.700 -0.035 0.000 0.780 180 E N -0.753 119.415 120.200 -0.053 0.000 2.437 180 E HA 0.212 4.563 4.350 0.001 0.000 0.195 180 E C 0.727 177.287 176.600 -0.068 0.000 1.029 180 E CA 0.261 56.627 56.400 -0.056 0.000 0.948 180 E CB -0.818 28.847 29.700 -0.057 0.000 1.082 180 E HN 0.120 8.480 8.360 -0.000 0.000 0.456 181 G N 0.448 109.206 108.800 -0.069 0.000 2.141 181 G HA2 -0.253 3.708 3.960 0.001 0.000 0.242 181 G HA3 -0.253 3.708 3.960 0.001 0.000 0.242 181 G C 0.105 174.947 174.900 -0.097 0.000 0.982 181 G CA 0.204 45.257 45.100 -0.078 0.000 0.662 181 G HN 0.241 8.531 8.290 -0.000 0.000 0.527 182 V N 0.699 120.551 119.914 -0.103 0.000 2.532 182 V HA 0.708 4.828 4.120 0.001 0.000 0.295 182 V C 0.670 176.696 176.094 -0.114 0.000 1.041 182 V CA -0.728 61.496 62.300 -0.126 0.000 0.926 182 V CB 1.648 33.383 31.823 -0.148 0.000 0.992 182 V HN 0.365 8.555 8.190 -0.000 0.000 0.457 183 R N 2.363 122.790 120.500 -0.121 0.000 2.711 183 R HA 0.858 5.199 4.340 0.001 0.000 0.284 183 R C -1.662 174.578 176.300 -0.101 0.000 0.968 183 R CA -0.711 55.329 56.100 -0.101 0.000 0.924 183 R CB 2.392 32.630 30.300 -0.102 0.000 1.162 183 R HN 0.508 8.778 8.270 -0.000 0.000 0.465 184 V N 2.814 122.690 119.914 -0.064 0.000 2.686 184 V HA 0.465 4.586 4.120 0.001 0.000 0.306 184 V C -0.665 175.443 176.094 0.024 0.000 1.065 184 V CA -0.883 61.408 62.300 -0.015 0.000 0.894 184 V CB 1.996 33.811 31.823 -0.013 0.000 1.004 184 V HN 0.807 8.997 8.190 -0.000 0.000 0.424 185 N N 1.636 120.364 118.700 0.047 0.000 2.853 185 N HA 0.873 5.613 4.740 0.001 0.000 0.258 185 N C -0.937 174.580 175.510 0.012 0.000 1.444 185 N CA -0.393 52.671 53.050 0.024 0.000 0.837 185 N CB 2.656 41.142 38.487 -0.002 0.000 1.489 185 N HN 0.826 9.206 8.380 -0.000 0.000 0.529 186 A N 0.319 123.129 122.820 -0.016 0.000 2.515 186 A HA 0.791 5.111 4.320 0.001 0.000 0.296 186 A C -1.199 176.355 177.584 -0.050 0.000 1.094 186 A CA -0.510 51.495 52.037 -0.053 0.000 0.718 186 A CB 1.208 20.164 19.000 -0.073 0.000 1.307 186 A HN 0.538 8.688 8.150 -0.000 0.000 0.408 187 I N 1.064 121.605 120.570 -0.049 0.000 2.406 187 I HA 0.375 4.546 4.170 0.001 0.000 0.290 187 I C 0.220 176.301 176.117 -0.061 0.000 0.999 187 I CA -0.355 60.918 61.300 -0.044 0.000 1.124 187 I CB 2.155 40.156 38.000 0.002 0.000 1.289 187 I HN 0.538 8.748 8.210 -0.000 0.000 0.441 188 S N 5.995 121.621 115.700 -0.124 0.000 2.474 188 S HA 0.671 5.141 4.470 0.001 0.000 0.320 188 S C -0.191 174.413 174.600 0.007 0.000 1.067 188 S CA -0.537 57.605 58.200 -0.096 0.000 1.127 188 S CB 0.359 63.391 63.200 -0.281 0.000 0.971 188 S HN 0.637 8.947 8.310 -0.000 0.000 0.472 189 A N 4.040 126.905 122.820 0.075 0.000 2.310 189 A HA 0.765 5.085 4.320 0.001 0.000 0.299 189 A C 0.835 178.515 177.584 0.160 0.000 1.147 189 A CA -0.294 51.799 52.037 0.093 0.000 0.818 189 A CB 0.379 19.417 19.000 0.062 0.000 1.096 189 A HN 0.926 9.076 8.150 -0.000 0.000 0.495 190 G N 1.031 109.897 108.800 0.109 0.000 2.599 190 G HA2 0.525 4.486 3.960 0.001 0.000 0.264 190 G HA3 0.525 4.486 3.960 0.001 0.000 0.264 190 G C -2.379 172.567 174.900 0.076 0.000 1.200 190 G CA -1.234 43.920 45.100 0.089 0.000 0.896 190 G HN 0.620 8.910 8.290 -0.000 0.000 0.536 191 P HA 0.087 4.507 4.420 -0.000 0.000 0.265 191 P C -0.548 176.729 177.300 -0.037 0.000 1.187 191 P CA 0.402 63.487 63.100 -0.025 0.000 0.766 191 P CB 0.832 32.499 31.700 -0.055 0.000 0.820 192 I N 3.303 123.847 120.570 -0.043 0.000 2.355 192 I HA 0.264 4.435 4.170 0.001 0.000 0.288 192 I C 2.038 178.140 176.117 -0.025 0.000 0.999 192 I CA -0.804 60.480 61.300 -0.026 0.000 1.163 192 I CB 1.541 39.531 38.000 -0.018 0.000 1.316 192 I HN 0.394 8.604 8.210 -0.000 0.000 0.454 193 R N 3.123 123.613 120.500 -0.017 0.000 2.171 193 R HA -0.254 4.087 4.340 0.001 0.000 0.232 193 R C 2.216 178.509 176.300 -0.012 0.000 1.116 193 R CA 3.226 59.318 56.100 -0.012 0.000 0.901 193 R CB -0.490 29.807 30.300 -0.006 0.000 0.850 193 R HN 0.895 9.165 8.270 -0.000 0.000 0.431 194 T N 0.400 114.948 114.554 -0.009 0.000 2.427 194 T HA -0.287 4.064 4.350 0.001 0.000 0.244 194 T C 1.247 175.937 174.700 -0.016 0.000 1.325 194 T CA 1.669 63.762 62.100 -0.011 0.000 1.173 194 T CB -0.930 67.931 68.868 -0.011 0.000 0.859 194 T HN 0.271 8.511 8.240 -0.000 0.000 0.415 207 L N 2.092 123.353 121.223 0.064 0.000 2.187 207 L HA 0.055 4.395 4.340 0.001 0.000 0.213 207 L C 2.804 179.700 176.870 0.043 0.000 1.100 207 L CA 1.618 56.480 54.840 0.036 0.000 0.765 207 L CB -1.173 40.894 42.059 0.012 0.000 0.904 207 L HN 0.668 8.898 8.230 -0.000 0.000 0.437 208 A N -0.686 122.170 122.820 0.061 0.000 1.930 208 A HA -0.247 4.074 4.320 0.001 0.000 0.217 208 A C 2.325 179.958 177.584 0.083 0.000 1.175 208 A CA 1.679 53.750 52.037 0.058 0.000 0.627 208 A CB -0.842 18.192 19.000 0.056 0.000 0.815 208 A HN 0.602 8.752 8.150 -0.000 0.000 0.443 209 H N -0.873 118.213 119.070 0.027 0.000 2.256 209 H HA -0.193 4.363 4.556 0.001 0.000 0.299 209 H C 2.305 177.676 175.328 0.072 0.000 1.071 209 H CA 2.139 58.215 56.048 0.047 0.000 1.280 209 H CB -0.758 29.034 29.762 0.050 0.000 1.370 209 H HN 0.427 8.707 8.280 -0.000 0.000 0.490 210 C N 1.563 120.775 119.300 -0.146 0.000 2.363 210 C HA -0.188 4.272 4.460 0.001 0.000 0.274 210 C C 2.817 177.754 174.990 -0.088 0.000 1.183 210 C CA 1.955 60.858 59.018 -0.193 0.000 1.771 210 C CB -1.069 26.598 27.740 -0.121 0.000 2.059 210 C HN 0.721 8.951 8.230 -0.000 0.000 0.455 211 E N 0.123 120.297 120.200 -0.042 0.000 2.058 211 E HA -0.217 4.134 4.350 0.001 0.000 0.194 211 E C 2.386 178.976 176.600 -0.016 0.000 0.997 211 E CA 1.459 57.851 56.400 -0.014 0.000 0.801 211 E CB -0.389 29.310 29.700 -0.003 0.000 0.746 211 E HN 0.752 9.112 8.360 -0.000 0.000 0.450 212 A N 1.110 123.913 122.820 -0.029 0.000 1.978 212 A HA -0.162 4.158 4.320 0.001 0.000 0.220 212 A C 2.392 179.952 177.584 -0.040 0.000 1.170 212 A CA 1.823 53.845 52.037 -0.025 0.000 0.636 212 A CB -0.534 18.461 19.000 -0.010 0.000 0.810 212 A HN 0.265 8.415 8.150 -0.000 0.000 0.448 213 V N -3.981 115.888 119.914 -0.075 0.000 3.621 213 V HA 0.210 4.331 4.120 0.001 0.000 0.285 213 V C 0.486 176.581 176.094 0.002 0.000 1.346 213 V CA 0.497 62.757 62.300 -0.066 0.000 1.104 213 V CB -0.575 31.162 31.823 -0.144 0.000 0.913 213 V HN 0.214 8.404 8.190 -0.000 0.000 0.432 214 T N 3.535 118.128 114.554 0.065 0.000 2.749 214 T HA 0.345 4.696 4.350 0.001 0.000 0.295 214 T C -1.620 173.100 174.700 0.035 0.000 0.936 214 T CA -0.542 61.624 62.100 0.110 0.000 1.060 214 T CB 1.456 70.397 68.868 0.122 0.000 0.904 214 T HN 0.215 8.455 8.240 -0.000 0.000 0.500 215 P HA -0.163 4.257 4.420 -0.000 0.000 0.218 215 P C 1.491 178.793 177.300 0.003 0.000 1.154 215 P CA 1.126 64.223 63.100 -0.005 0.000 0.872 215 P CB -0.159 31.534 31.700 -0.012 0.000 0.790 216 I N -5.530 115.049 120.570 0.014 0.000 3.291 216 I HA 0.121 4.291 4.170 0.001 0.000 0.279 216 I C 0.188 176.311 176.117 0.011 0.000 1.294 216 I CA 0.359 61.666 61.300 0.011 0.000 1.428 216 I CB -0.425 37.583 38.000 0.014 0.000 1.070 216 I HN -0.195 8.015 8.210 -0.000 0.000 0.478 217 R N 2.040 122.548 120.500 0.013 0.000 3.651 217 R HA -0.164 4.177 4.340 0.001 0.000 0.292 217 R C -0.711 175.594 176.300 0.009 0.000 1.161 217 R CA 1.127 57.232 56.100 0.009 0.000 0.787 217 R CB -2.085 28.217 30.300 0.003 0.000 1.249 217 R HN 0.808 9.078 8.270 -0.000 0.000 0.476 218 R N -2.575 117.932 120.500 0.012 0.000 2.663 218 R HA 0.388 4.728 4.340 0.001 0.000 0.267 218 R C -0.335 175.970 176.300 0.008 0.000 1.038 218 R CA -0.609 55.496 56.100 0.008 0.000 0.886 218 R CB 0.779 31.085 30.300 0.009 0.000 1.249 218 R HN 0.034 8.304 8.270 -0.000 0.000 0.463 219 T N -1.090 113.464 114.554 0.000 0.000 2.904 219 T HA 0.395 4.746 4.350 0.001 0.000 0.290 219 T C 0.930 175.633 174.700 0.005 0.000 1.018 219 T CA -0.526 61.571 62.100 -0.006 0.000 1.075 219 T CB 1.145 70.003 68.868 -0.017 0.000 0.986 219 T HN 0.623 8.863 8.240 -0.000 0.000 0.523 220 V N 1.189 121.109 119.914 0.009 0.000 3.185 220 V HA 0.623 4.744 4.120 0.001 0.000 0.305 220 V C 0.629 176.732 176.094 0.015 0.000 1.090 220 V CA -0.305 62.006 62.300 0.018 0.000 1.107 220 V CB 0.168 32.008 31.823 0.027 0.000 1.061 220 V HN 1.284 9.474 8.190 -0.000 0.000 0.480 221 T N 0.295 114.862 114.554 0.021 0.000 2.949 221 T HA 0.557 4.908 4.350 0.001 0.000 0.287 221 T C 1.116 175.834 174.700 0.031 0.000 1.034 221 T CA -0.142 61.972 62.100 0.024 0.000 1.018 221 T CB 1.463 70.347 68.868 0.026 0.000 1.135 221 T HN 1.061 9.301 8.240 -0.000 0.000 0.532 222 I N -1.170 119.422 120.570 0.036 0.000 2.614 222 I HA -0.021 4.149 4.170 0.001 0.000 0.258 222 I C 1.745 177.892 176.117 0.050 0.000 1.189 222 I CA 0.937 62.265 61.300 0.046 0.000 1.462 222 I CB -0.516 37.521 38.000 0.062 0.000 1.092 222 I HN 0.437 8.647 8.210 -0.000 0.000 0.442 223 E N 1.779 122.008 120.200 0.048 0.000 2.107 223 E HA -0.165 4.186 4.350 0.001 0.000 0.191 223 E C 1.684 178.312 176.600 0.047 0.000 0.982 223 E CA 1.225 57.653 56.400 0.047 0.000 0.809 223 E CB -0.561 29.165 29.700 0.044 0.000 0.756 223 E HN 0.601 8.961 8.360 -0.000 0.000 0.459 224 D N 0.872 121.297 120.400 0.041 0.000 2.084 224 D HA -0.099 4.542 4.640 0.001 0.000 0.194 224 D C 2.202 178.530 176.300 0.048 0.000 0.990 224 D CA 0.952 54.975 54.000 0.039 0.000 0.826 224 D CB -0.175 40.644 40.800 0.032 0.000 0.971 224 D HN 0.002 8.372 8.370 -0.000 0.000 0.453 225 V N 1.254 121.196 119.914 0.047 0.000 2.287 225 V HA -0.187 3.934 4.120 0.001 0.000 0.248 225 V C 2.591 178.723 176.094 0.064 0.000 1.053 225 V CA 2.093 64.424 62.300 0.052 0.000 1.027 225 V CB -1.077 30.773 31.823 0.044 0.000 0.646 225 V HN 0.242 8.432 8.190 -0.000 0.000 0.447 226 G N 0.093 108.929 108.800 0.060 0.000 2.440 226 G HA2 -0.282 3.679 3.960 0.001 0.000 0.218 226 G HA3 -0.282 3.679 3.960 0.001 0.000 0.218 226 G C 1.458 176.414 174.900 0.093 0.000 1.154 226 G CA 0.969 46.108 45.100 0.064 0.000 0.767 226 G HN 0.510 8.800 8.290 -0.000 0.000 0.552 227 N N 0.842 119.600 118.700 0.097 0.000 2.084 227 N HA -0.080 4.661 4.740 0.001 0.000 0.190 227 N C 2.588 178.205 175.510 0.179 0.000 1.030 227 N CA 1.354 54.488 53.050 0.139 0.000 0.849 227 N CB -0.432 38.118 38.487 0.105 0.000 1.012 227 N HN 0.217 8.597 8.380 -0.000 0.000 0.423 228 S N 0.982 116.761 115.700 0.131 0.000 2.368 228 S HA -0.077 4.394 4.470 0.001 0.000 0.225 228 S C 2.120 176.853 174.600 0.221 0.000 1.030 228 S CA 1.140 59.436 58.200 0.160 0.000 0.999 228 S CB -0.345 62.915 63.200 0.100 0.000 0.844 228 S HN 0.504 8.814 8.310 -0.000 0.000 0.459 229 A N 1.713 124.625 122.820 0.152 0.000 1.883 229 A HA -0.003 4.318 4.320 0.001 0.000 0.217 229 A C 2.377 180.052 177.584 0.152 0.000 1.186 229 A CA 1.912 54.024 52.037 0.125 0.000 0.624 229 A CB -1.200 17.855 19.000 0.091 0.000 0.822 229 A HN 0.532 8.682 8.150 -0.000 0.000 0.444 230 A N -1.056 121.886 122.820 0.203 0.000 1.877 230 A HA -0.047 4.274 4.320 0.001 0.000 0.216 230 A C 2.077 179.900 177.584 0.398 0.000 1.186 230 A CA 1.701 53.899 52.037 0.269 0.000 0.620 230 A CB -0.789 18.374 19.000 0.271 0.000 0.822 230 A HN 0.840 8.990 8.150 -0.000 0.000 0.443 231 F N 0.651 120.737 119.950 0.227 0.000 2.095 231 F HA -0.141 4.386 4.527 0.001 0.000 0.298 231 F C 1.770 177.570 175.800 0.001 0.000 1.104 231 F CA 1.791 59.791 58.000 0.001 0.000 1.232 231 F CB -0.355 38.589 39.000 -0.093 0.000 0.987 231 F HN 0.125 8.425 8.300 -0.000 0.000 0.475 232 L N -0.700 120.485 121.223 -0.063 0.000 2.362 232 L HA -0.219 4.122 4.340 0.001 0.000 0.219 232 L C 1.981 178.741 176.870 -0.184 0.000 1.134 232 L CA 0.645 55.354 54.840 -0.218 0.000 0.807 232 L CB -0.657 41.410 42.059 0.013 0.000 0.927 232 L HN 0.315 8.545 8.230 -0.000 0.000 0.447 233 C N -1.114 118.140 119.300 -0.077 0.000 2.791 233 C HA 0.120 4.581 4.460 0.001 0.000 0.270 233 C C 1.753 176.708 174.990 -0.058 0.000 1.257 233 C CA -0.292 58.693 59.018 -0.055 0.000 1.699 233 C CB -0.822 26.922 27.740 0.007 0.000 1.904 233 C HN 0.540 8.770 8.230 -0.000 0.000 0.603 234 S N 0.237 115.888 115.700 -0.082 0.000 2.738 234 S HA 0.290 4.761 4.470 0.001 0.000 0.284 234 S C 0.393 174.906 174.600 -0.145 0.000 1.146 234 S CA -0.130 58.051 58.200 -0.031 0.000 0.997 234 S CB 0.687 63.971 63.200 0.140 0.000 1.081 234 S HN 0.256 8.566 8.310 -0.000 0.000 0.553 235 D N 0.307 120.655 120.400 -0.087 0.000 2.363 235 D HA 0.121 4.761 4.640 0.001 0.000 0.220 235 D C 1.673 177.888 176.300 -0.141 0.000 0.994 235 D CA 0.333 54.270 54.000 -0.106 0.000 0.890 235 D CB -0.271 40.495 40.800 -0.057 0.000 0.906 235 D HN 0.439 8.809 8.370 -0.000 0.000 0.530 236 L N 0.724 121.834 121.223 -0.189 0.000 2.131 236 L HA -0.120 4.221 4.340 0.001 0.000 0.210 236 L C 1.616 178.333 176.870 -0.255 0.000 1.092 236 L CA 1.060 55.789 54.840 -0.185 0.000 0.759 236 L CB -0.250 41.690 42.059 -0.198 0.000 0.903 236 L HN 0.017 8.247 8.230 -0.000 0.000 0.435 237 S N -1.082 114.302 115.700 -0.525 0.000 2.526 237 S HA 0.333 4.803 4.470 0.001 0.000 0.247 237 S C 1.317 175.760 174.600 -0.261 0.000 1.076 237 S CA 0.065 57.950 58.200 -0.525 0.000 1.105 237 S CB 0.617 63.224 63.200 -0.988 0.000 0.793 237 S HN 0.218 8.528 8.310 -0.000 0.000 0.458 238 A N 1.105 123.821 122.820 -0.173 0.000 2.172 238 A HA 0.329 4.650 4.320 0.001 0.000 0.216 238 A C 1.915 179.448 177.584 -0.086 0.000 1.154 238 A CA 0.929 52.894 52.037 -0.119 0.000 0.701 238 A CB -0.798 18.147 19.000 -0.091 0.000 0.789 238 A HN 0.706 8.856 8.150 -0.000 0.000 0.465 239 G N -0.921 107.837 108.800 -0.070 0.000 3.088 239 G HA2 0.380 4.341 3.960 0.001 0.000 0.217 239 G HA3 0.380 4.341 3.960 0.001 0.000 0.217 239 G C 0.343 175.223 174.900 -0.034 0.000 1.159 239 G CA -0.116 44.960 45.100 -0.041 0.000 0.760 239 G HN 0.402 8.692 8.290 -0.000 0.000 0.550 240 I N 1.147 121.686 120.570 -0.051 0.000 2.339 240 I HA 0.514 4.685 4.170 0.001 0.000 0.290 240 I C -0.473 175.614 176.117 -0.050 0.000 0.994 240 I CA -0.442 60.838 61.300 -0.033 0.000 1.191 240 I CB 1.973 39.968 38.000 -0.009 0.000 1.343 240 I HN -0.049 8.161 8.210 -0.000 0.000 0.458 241 S N 3.479 119.158 115.700 -0.035 0.000 2.535 241 S HA 0.628 5.099 4.470 0.001 0.000 0.272 241 S C 0.248 174.833 174.600 -0.025 0.000 1.149 241 S CA 0.250 58.428 58.200 -0.038 0.000 0.888 241 S CB 1.675 64.845 63.200 -0.050 0.000 1.110 241 S HN 1.101 9.411 8.310 -0.000 0.000 0.463 242 G N 2.146 110.935 108.800 -0.018 0.000 2.143 242 G HA2 -0.205 3.756 3.960 0.001 0.000 0.248 242 G HA3 -0.205 3.756 3.960 0.001 0.000 0.248 242 G C -0.229 174.671 174.900 0.000 0.000 0.991 242 G CA 0.786 45.880 45.100 -0.010 0.000 0.689 242 G HN 0.814 9.104 8.290 -0.000 0.000 0.522 243 E N -0.484 119.717 120.200 0.003 0.000 2.202 243 E HA 0.631 4.982 4.350 0.001 0.000 0.272 243 E C -0.115 176.483 176.600 -0.002 0.000 0.951 243 E CA -0.715 55.690 56.400 0.008 0.000 0.813 243 E CB 1.779 31.488 29.700 0.016 0.000 1.151 243 E HN 0.260 8.620 8.360 -0.000 0.000 0.398 244 V N 4.900 124.804 119.914 -0.016 0.000 2.311 244 V HA 0.280 4.400 4.120 0.001 0.000 0.275 244 V C -0.564 175.455 176.094 -0.125 0.000 1.022 244 V CA -0.818 61.431 62.300 -0.084 0.000 0.830 244 V CB 1.231 32.987 31.823 -0.112 0.000 1.012 244 V HN 0.528 8.718 8.190 -0.000 0.000 0.452 245 V N 4.969 124.821 119.914 -0.103 0.000 2.432 245 V HA 0.328 4.448 4.120 0.001 0.000 0.275 245 V C -0.095 175.916 176.094 -0.139 0.000 1.043 245 V CA -0.651 61.621 62.300 -0.047 0.000 0.925 245 V CB 0.978 32.819 31.823 0.029 0.000 0.985 245 V HN 0.850 9.040 8.190 -0.000 0.000 0.466 246 H N 2.828 121.914 119.070 0.027 0.000 2.620 246 H HA 0.480 5.036 4.556 0.001 0.000 0.313 246 H C -0.192 175.155 175.328 0.031 0.000 1.075 246 H CA -0.333 55.732 56.048 0.028 0.000 1.397 246 H CB 1.265 31.040 29.762 0.023 0.000 1.446 246 H HN 0.378 8.658 8.280 -0.000 0.000 0.493 247 V N 3.964 123.942 119.914 0.107 0.000 2.320 247 V HA 0.115 4.236 4.120 0.001 0.000 0.257 247 V C -0.267 175.881 176.094 0.089 0.000 0.996 247 V CA -0.485 61.864 62.300 0.081 0.000 0.928 247 V CB 0.277 32.132 31.823 0.053 0.000 1.169 247 V HN 0.931 9.121 8.190 -0.000 0.000 0.475 248 D N 0.938 121.405 120.400 0.112 0.000 2.636 248 D HA 0.200 4.841 4.640 0.001 0.000 0.270 248 D C 1.276 177.644 176.300 0.113 0.000 1.430 248 D CA 0.270 54.336 54.000 0.111 0.000 0.796 248 D CB 0.539 41.434 40.800 0.159 0.000 1.117 248 D HN 0.554 8.924 8.370 -0.000 0.000 0.480 249 G N 0.244 109.093 108.800 0.082 0.000 2.166 249 G HA2 -0.099 3.862 3.960 0.001 0.000 0.260 249 G HA3 -0.099 3.862 3.960 0.001 0.000 0.260 249 G C 1.261 176.201 174.900 0.067 0.000 0.986 249 G CA 0.718 45.857 45.100 0.065 0.000 0.683 249 G HN 1.491 9.781 8.290 -0.000 0.000 0.527 250 G N -1.550 107.296 108.800 0.076 0.000 2.176 250 G HA2 -0.192 3.769 3.960 0.001 0.000 0.253 250 G HA3 -0.192 3.769 3.960 0.001 0.000 0.253 250 G C 1.058 175.974 174.900 0.028 0.000 0.979 250 G CA 1.091 46.210 45.100 0.031 0.000 0.641 250 G HN 1.596 9.886 8.290 -0.000 0.000 0.530 251 F N 2.898 122.821 119.950 -0.044 0.000 2.085 251 F HA -0.220 4.308 4.527 0.002 0.000 0.299 251 F C 2.721 178.476 175.800 -0.075 0.000 1.096 251 F CA 3.115 61.081 58.000 -0.057 0.000 1.227 251 F CB -0.515 38.459 39.000 -0.044 0.000 0.983 251 F HN 0.574 8.874 8.300 -0.000 0.000 0.482 252 S N 0.524 116.199 115.700 -0.041 0.000 2.442 252 S HA -0.194 4.277 4.470 0.001 0.000 0.236 252 S C 1.631 176.076 174.600 -0.259 0.000 1.007 252 S CA 1.270 59.362 58.200 -0.181 0.000 0.965 252 S CB -1.259 61.861 63.200 -0.134 0.000 0.773 252 S HN 0.540 8.850 8.310 -0.000 0.000 0.504 253 I N -0.447 119.991 120.570 -0.220 0.000 3.875 253 I HA 0.616 4.786 4.170 0.001 0.000 0.329 253 I C 0.667 176.677 176.117 -0.179 0.000 1.295 253 I CA -0.931 60.259 61.300 -0.183 0.000 1.129 253 I CB -0.412 37.504 38.000 -0.140 0.000 1.008 253 I HN 0.332 8.542 8.210 -0.000 0.000 0.413 254 A N 1.063 123.738 122.820 -0.242 0.000 2.261 254 A HA 0.974 5.295 4.320 0.001 0.000 0.323 254 A C -0.157 177.288 177.584 -0.232 0.000 1.107 254 A CA -0.031 51.878 52.037 -0.214 0.000 0.883 254 A CB 0.832 19.700 19.000 -0.219 0.000 1.251 254 A HN 0.676 8.826 8.150 -0.000 0.000 0.502 255 A N -0.570 122.150 122.820 -0.167 0.000 2.599 255 A HA 0.575 4.896 4.320 0.001 0.000 0.294 255 A C -0.078 177.453 177.584 -0.088 0.000 1.055 255 A CA -0.117 51.839 52.037 -0.136 0.000 0.683 255 A CB 0.004 18.938 19.000 -0.109 0.000 1.278 255 A HN 1.632 9.782 8.150 -0.000 0.000 0.412 256 M N 0.570 120.133 119.600 -0.061 0.000 2.253 256 M HA -0.216 4.265 4.480 0.001 0.000 0.199 256 M C 0.487 176.769 176.300 -0.031 0.000 0.342 256 M CA 0.822 56.103 55.300 -0.032 0.000 0.417 256 M CB -1.437 31.146 32.600 -0.028 0.000 1.338 256 M HN 0.804 9.094 8.290 -0.000 0.000 0.920 257 N N 2.127 120.803 118.700 -0.040 0.000 2.617 257 N HA -0.021 4.720 4.740 0.001 0.000 0.198 257 N C 0.541 176.040 175.510 -0.017 0.000 1.317 257 N CA 1.008 54.034 53.050 -0.039 0.000 0.892 257 N CB 0.111 38.559 38.487 -0.065 0.000 1.041 257 N HN 0.691 9.071 8.380 -0.000 0.000 0.450 258 E N 0.000 120.197 120.200 -0.004 0.000 2.725 258 E HA 0.000 4.351 4.350 0.001 0.000 0.291 258 E CA 0.000 56.402 56.400 0.004 0.000 0.976 258 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 258 E HN 0.000 8.360 8.360 -0.000 0.000 0.440