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 3fw1_1_A DATA FIRST_RESID 2 DATA SEQUENCE GKKVLIVYAH QEPKSFNGSL KNVAVDELSR QGCTVTVSDL YAMNFEPRAT DATA SEQUENCE DKDITGTLSN PEVFNYGVET HEAYKQRSLA SDITDEQKKV READLVIFQF DATA SEQUENCE PLYWFSVPAI LKGWMDRVLC QGFAFDIPGF YDSGLLQGKL ALLSVTTGGT DATA SEQUENCE AEMYTKTGVN GDSRYFLWPL QHGTLHFCGF KVLAPQISFA PEIASEEERK DATA SEQUENCE GMVAAWSQRL QTIWKEEPIP CTAHWHFG 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 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.888 3.960 -0.120 0.000 0.244 2 G C 0.000 174.782 174.900 -0.197 0.000 0.946 2 G CA 0.000 45.003 45.100 -0.161 0.000 0.502 3 K N 0.866 121.110 120.400 -0.261 0.000 2.203 3 K HA 0.307 4.638 4.320 -0.237 -0.152 0.251 3 K C -0.856 175.702 176.600 -0.069 0.000 0.944 3 K CA -1.697 54.423 56.287 -0.278 0.000 0.829 3 K CB 2.438 34.498 32.500 -0.733 0.000 1.125 3 K HN -0.034 8.059 8.250 -0.261 0.000 0.430 4 K N 2.143 122.559 120.400 0.027 0.000 2.206 4 K HA 0.512 5.034 4.320 0.070 -0.160 0.264 4 K C -0.883 175.822 176.600 0.175 0.000 0.967 4 K CA -0.881 55.459 56.287 0.088 0.000 0.844 4 K CB 2.120 34.664 32.500 0.074 0.000 1.099 4 K HN 0.288 8.889 8.250 0.029 -0.334 0.441 5 V N 4.085 124.091 119.914 0.153 0.000 2.604 5 V HA 0.729 5.146 4.120 0.169 -0.196 0.305 5 V C -2.174 173.962 176.094 0.069 0.000 1.043 5 V CA -1.684 60.701 62.300 0.141 0.000 0.888 5 V CB 3.576 35.482 31.823 0.138 0.000 0.995 5 V HN 0.732 8.993 8.190 0.118 0.000 0.429 6 L N 7.316 128.561 121.223 0.036 0.000 2.313 6 L HA 0.755 5.273 4.340 0.001 -0.178 0.283 6 L C -2.221 174.575 176.870 -0.123 0.000 1.013 6 L CA -1.734 53.097 54.840 -0.016 0.000 0.816 6 L CB 3.512 45.585 42.059 0.024 0.000 1.236 6 L HN 0.255 8.510 8.230 0.042 0.000 0.419 7 I N 6.678 127.175 120.570 -0.122 0.000 2.330 7 I HA 0.401 4.632 4.170 -0.228 -0.198 0.289 7 I C -1.028 174.959 176.117 -0.217 0.000 1.001 7 I CA -1.093 60.106 61.300 -0.168 0.000 1.193 7 I CB 1.179 39.133 38.000 -0.077 0.000 1.345 7 I HN 0.618 8.781 8.210 -0.079 0.000 0.461 8 V N 7.997 127.655 119.914 -0.427 0.000 2.348 8 V HA 0.064 3.940 4.120 -0.407 0.000 0.270 8 V C -1.767 174.211 176.094 -0.194 0.000 1.037 8 V CA -0.655 61.347 62.300 -0.497 0.000 0.872 8 V CB 0.445 31.633 31.823 -1.059 0.000 1.002 8 V HN 0.610 8.446 8.190 -0.590 0.000 0.464 9 Y N 10.007 130.180 120.300 -0.213 0.000 2.364 9 Y HA 0.512 5.198 4.550 -0.031 -0.155 0.340 9 Y C -2.962 172.926 175.900 -0.021 0.000 0.975 9 Y CA -2.462 55.599 58.100 -0.065 0.000 1.089 9 Y CB 3.807 42.249 38.460 -0.030 0.000 1.192 9 Y HN 0.302 8.576 8.280 -0.009 0.000 0.454 10 A N 8.338 130.911 122.820 -0.413 0.000 2.978 10 A HA 0.369 4.489 4.320 -0.333 0.000 0.341 10 A C -2.738 174.744 177.584 -0.170 0.000 1.105 10 A CA -0.814 51.037 52.037 -0.310 0.000 0.819 10 A CB 1.052 19.914 19.000 -0.229 0.000 1.080 10 A HN 0.295 8.264 8.150 -0.301 0.000 0.476 11 H N 3.250 122.031 119.070 -0.483 0.000 2.996 11 H HA 0.345 4.831 4.556 -0.117 0.000 0.368 11 H C -0.849 174.337 175.328 -0.236 0.000 1.185 11 H CA -0.061 55.818 56.048 -0.283 0.000 1.160 11 H CB 3.615 33.196 29.762 -0.303 0.000 1.820 11 H HN 0.007 7.859 8.280 -0.713 0.000 0.547 12 Q N 1.638 121.167 119.800 -0.451 0.000 2.378 12 Q HA 0.002 4.065 4.340 -0.462 0.000 0.205 12 Q C 0.150 176.181 176.000 0.051 0.000 0.954 12 Q CA 2.142 57.703 55.803 -0.403 0.000 0.901 12 Q CB 0.583 28.962 28.738 -0.598 0.000 0.981 12 Q HN 0.419 8.202 8.270 -0.811 0.000 0.483 13 E N -0.738 119.676 120.200 0.355 0.000 2.182 13 E HA 0.433 4.874 4.350 0.151 0.000 0.258 13 E C -1.614 175.095 176.600 0.181 0.000 0.879 13 E CA -3.773 52.766 56.400 0.231 0.000 0.754 13 E CB 0.544 30.382 29.700 0.230 0.000 1.162 13 E HN -0.608 8.194 8.360 0.818 0.049 0.419 14 P HA -0.152 4.355 4.420 0.144 0.000 0.216 14 P C 0.272 177.596 177.300 0.040 0.000 1.150 14 P CA 1.731 64.895 63.100 0.107 0.000 0.843 14 P CB 0.500 32.245 31.700 0.075 0.000 0.787 15 K N -5.818 114.602 120.400 0.033 0.000 2.458 15 K HA -0.019 4.304 4.320 0.006 0.000 0.194 15 K C 0.036 176.637 176.600 0.001 0.000 1.024 15 K CA -0.451 55.845 56.287 0.015 0.000 1.108 15 K CB 0.018 32.534 32.500 0.026 0.000 0.846 15 K HN -0.287 8.331 8.250 0.048 -0.340 0.518 16 S N 0.093 115.764 115.700 -0.048 0.000 2.596 16 S HA -0.074 4.383 4.470 -0.023 0.000 0.260 16 S C 0.712 175.282 174.600 -0.049 0.000 1.336 16 S CA -0.275 57.857 58.200 -0.113 0.000 0.993 16 S CB 1.497 64.359 63.200 -0.563 0.000 0.923 16 S HN -0.517 7.590 8.310 -0.052 0.172 0.567 17 F N 1.869 121.729 119.950 -0.151 0.000 2.126 17 F HA -0.330 4.152 4.527 -0.075 0.000 0.299 17 F C 1.123 176.848 175.800 -0.125 0.000 1.096 17 F CA 3.756 61.691 58.000 -0.108 0.000 1.255 17 F CB 0.255 39.206 39.000 -0.082 0.000 0.997 17 F HN 0.275 8.679 8.300 0.173 0.000 0.479 18 N N -1.148 117.476 118.700 -0.126 0.000 2.104 18 N HA -0.432 4.205 4.740 -0.172 0.000 0.190 18 N C 1.958 177.459 175.510 -0.015 0.000 1.024 18 N CA 3.892 56.873 53.050 -0.114 0.000 0.853 18 N CB -0.206 38.276 38.487 -0.009 0.000 1.008 18 N HN 0.231 8.542 8.380 -0.116 0.000 0.424 19 G N -0.284 108.503 108.800 -0.023 0.000 2.440 19 G HA2 -0.319 3.633 3.960 -0.014 0.000 0.218 19 G HA3 -0.319 3.819 3.960 -0.003 -0.179 0.218 19 G C 1.524 176.342 174.900 -0.136 0.000 1.154 19 G CA 2.189 47.278 45.100 -0.018 0.000 0.767 19 G HN -0.073 8.128 8.290 -0.149 0.000 0.552 20 S N 2.919 118.525 115.700 -0.158 0.000 2.368 20 S HA -0.211 4.187 4.470 -0.120 0.000 0.224 20 S C 1.899 176.396 174.600 -0.171 0.000 1.029 20 S CA 4.067 62.168 58.200 -0.164 0.000 0.988 20 S CB -0.410 62.685 63.200 -0.175 0.000 0.838 20 S HN -0.475 7.650 8.310 -0.168 0.084 0.462 21 L N 0.917 121.979 121.223 -0.269 0.000 2.079 21 L HA -0.408 3.953 4.340 0.036 0.000 0.210 21 L C 1.785 178.696 176.870 0.069 0.000 1.081 21 L CA 3.338 58.102 54.840 -0.125 0.000 0.752 21 L CB -0.722 41.081 42.059 -0.427 0.000 0.896 21 L HN -0.212 7.777 8.230 -0.402 0.000 0.433 22 K N -0.892 119.467 120.400 -0.069 0.000 2.025 22 K HA -0.360 3.957 4.320 -0.005 0.000 0.207 22 K C 2.058 178.578 176.600 -0.133 0.000 1.049 22 K CA 3.029 59.241 56.287 -0.125 0.000 0.933 22 K CB -0.351 31.854 32.500 -0.492 0.000 0.714 22 K HN 0.030 8.207 8.250 -0.120 0.000 0.438 23 N N -0.383 118.222 118.700 -0.159 0.000 2.104 23 N HA -0.279 4.378 4.740 -0.139 0.000 0.190 23 N C 2.458 177.917 175.510 -0.085 0.000 1.024 23 N CA 3.064 56.040 53.050 -0.124 0.000 0.853 23 N CB -0.186 38.234 38.487 -0.111 0.000 1.008 23 N HN -0.249 8.024 8.380 -0.177 0.000 0.424 24 V N -4.062 115.816 119.914 -0.059 0.000 2.809 24 V HA -0.138 3.932 4.120 -0.082 0.000 0.256 24 V C 1.156 177.165 176.094 -0.141 0.000 1.080 24 V CA 3.425 65.679 62.300 -0.077 0.000 1.102 24 V CB -0.516 31.277 31.823 -0.051 0.000 0.705 24 V HN -0.113 8.054 8.190 -0.040 0.000 0.475 25 A N 0.955 123.710 122.820 -0.108 0.000 1.898 25 A HA -0.307 3.806 4.320 -0.344 0.000 0.216 25 A C 1.789 179.296 177.584 -0.128 0.000 1.181 25 A CA 3.220 55.148 52.037 -0.182 0.000 0.620 25 A CB -0.751 18.236 19.000 -0.023 0.000 0.819 25 A HN -0.626 7.520 8.150 -0.007 0.000 0.442 26 V N -0.870 118.989 119.914 -0.091 0.000 2.295 26 V HA -0.655 3.427 4.120 -0.063 0.000 0.246 26 V C 1.923 177.976 176.094 -0.069 0.000 1.049 26 V CA 4.720 66.975 62.300 -0.075 0.000 1.024 26 V CB -0.329 31.447 31.823 -0.078 0.000 0.648 26 V HN -0.223 7.914 8.190 -0.087 0.000 0.447 27 D N -0.672 119.683 120.400 -0.076 0.000 2.097 27 D HA -0.307 4.302 4.640 -0.053 0.000 0.195 27 D C 2.487 178.746 176.300 -0.069 0.000 0.989 27 D CA 3.656 57.617 54.000 -0.065 0.000 0.827 27 D CB -0.569 40.193 40.800 -0.063 0.000 0.966 27 D HN -0.246 8.075 8.370 -0.083 0.000 0.456 28 E N 0.418 120.558 120.200 -0.100 0.000 2.047 28 E HA -0.197 4.103 4.350 -0.083 0.000 0.191 28 E C 2.430 178.989 176.600 -0.069 0.000 0.987 28 E CA 2.446 58.784 56.400 -0.105 0.000 0.799 28 E CB -0.245 29.349 29.700 -0.177 0.000 0.752 28 E HN -0.438 7.847 8.360 -0.124 0.000 0.449 29 L N -2.226 118.956 121.223 -0.069 0.000 2.093 29 L HA -0.285 4.080 4.340 0.041 0.000 0.208 29 L C 2.042 178.921 176.870 0.015 0.000 1.085 29 L CA 2.846 57.687 54.840 0.002 0.000 0.755 29 L CB -0.346 41.719 42.059 0.009 0.000 0.904 29 L HN -0.153 8.018 8.230 -0.099 0.000 0.435 30 S N -0.713 114.980 115.700 -0.012 0.000 2.383 30 S HA -0.298 4.172 4.470 -0.001 0.000 0.227 30 S C 2.678 177.271 174.600 -0.010 0.000 1.026 30 S CA 2.711 60.905 58.200 -0.009 0.000 0.981 30 S CB -0.097 63.091 63.200 -0.020 0.000 0.818 30 S HN -0.008 8.285 8.310 -0.028 0.000 0.472 31 R N 1.417 121.906 120.500 -0.017 0.000 2.148 31 R HA -0.200 4.130 4.340 -0.017 0.000 0.227 31 R C 1.847 178.141 176.300 -0.010 0.000 1.103 31 R CA 2.511 58.601 56.100 -0.017 0.000 0.983 31 R CB -0.109 30.176 30.300 -0.026 0.000 0.874 31 R HN -0.368 7.887 8.270 -0.025 0.000 0.451 32 Q N -4.579 115.223 119.800 0.003 0.000 2.435 32 Q HA -0.044 4.299 4.340 0.006 0.000 0.207 32 Q C 0.476 176.471 176.000 -0.008 0.000 0.956 32 Q CA 0.787 56.598 55.803 0.014 0.000 0.917 32 Q CB 0.649 29.428 28.738 0.069 0.000 0.997 32 Q HN -0.610 7.539 8.270 0.008 0.125 0.497 33 G N -2.721 106.073 108.800 -0.009 0.000 2.179 33 G HA2 -0.232 3.715 3.960 -0.021 0.000 0.220 33 G HA3 -0.232 3.706 3.960 -0.036 0.000 0.220 33 G C -0.140 174.743 174.900 -0.027 0.000 0.990 33 G CA -0.485 44.600 45.100 -0.025 0.000 0.646 33 G HN -0.467 7.657 8.290 -0.003 0.164 0.517 34 C N 1.045 120.344 119.300 -0.003 0.000 2.703 34 C HA -0.144 4.415 4.460 -0.030 -0.117 0.411 34 C C 0.175 175.175 174.990 0.015 0.000 1.290 34 C CA 0.631 59.657 59.018 0.013 0.000 2.054 34 C CB 0.902 28.709 27.740 0.112 0.000 2.732 34 C HN -0.528 7.665 8.230 0.019 0.048 0.650 35 T N 5.324 119.888 114.554 0.017 0.000 2.794 35 T HA 0.041 4.400 4.350 0.014 0.000 0.296 35 T C -1.483 173.242 174.700 0.041 0.000 0.949 35 T CA 1.126 63.239 62.100 0.022 0.000 1.101 35 T CB 0.382 69.262 68.868 0.019 0.000 0.905 35 T HN 0.203 8.449 8.240 0.010 0.000 0.516 36 V N 7.367 127.299 119.914 0.029 0.000 2.540 36 V HA 0.644 4.969 4.120 0.038 -0.182 0.302 36 V C -0.478 175.628 176.094 0.019 0.000 1.035 36 V CA -1.413 60.902 62.300 0.026 0.000 0.873 36 V CB 2.742 34.571 31.823 0.009 0.000 0.992 36 V HN 0.451 8.653 8.190 0.020 0.000 0.428 37 T N 9.099 123.665 114.554 0.021 0.000 2.861 37 T HA 0.345 4.707 4.350 0.020 0.000 0.287 37 T C -1.986 172.715 174.700 0.002 0.000 1.003 37 T CA -0.931 61.182 62.100 0.021 0.000 0.977 37 T CB 1.889 70.784 68.868 0.044 0.000 0.996 37 T HN 0.382 8.636 8.240 0.023 0.000 0.448 38 V N 5.635 125.549 119.914 -0.001 0.000 2.448 38 V HA 0.418 4.714 4.120 -0.034 -0.196 0.295 38 V C -0.493 175.611 176.094 0.017 0.000 1.025 38 V CA -1.303 60.988 62.300 -0.014 0.000 0.859 38 V CB 2.116 33.916 31.823 -0.039 0.000 0.988 38 V HN 0.374 8.568 8.190 0.007 0.000 0.431 39 S N 8.957 124.655 115.700 -0.003 0.000 2.415 39 S HA 0.093 4.596 4.470 0.056 0.000 0.313 39 S C -1.640 172.983 174.600 0.039 0.000 1.067 39 S CA -0.345 57.863 58.200 0.014 0.000 1.099 39 S CB 0.479 63.663 63.200 -0.028 0.000 0.991 39 S HN 0.291 8.573 8.310 -0.047 0.000 0.491 40 D N 7.698 128.172 120.400 0.125 0.000 2.453 40 D HA 0.113 4.982 4.640 0.382 0.000 0.223 40 D C 0.697 177.086 176.300 0.149 0.000 1.183 40 D CA -1.671 52.478 54.000 0.249 0.000 0.933 40 D CB -0.345 40.624 40.800 0.281 0.000 1.038 40 D HN 0.389 8.830 8.370 0.118 0.000 0.513 41 L N 4.376 125.604 121.223 0.008 0.000 2.013 41 L HA -0.425 3.923 4.340 0.012 0.000 0.212 41 L C 1.649 178.522 176.870 0.004 0.000 1.073 41 L CA 3.394 58.197 54.840 -0.062 0.000 0.753 41 L CB -0.445 41.445 42.059 -0.282 0.000 0.890 41 L HN -0.212 7.990 8.230 -0.046 0.000 0.432 42 Y N -3.328 117.009 120.300 0.062 0.000 2.242 42 Y HA -0.365 4.237 4.550 0.087 0.000 0.291 42 Y C 2.789 178.751 175.900 0.103 0.000 1.137 42 Y CA 3.122 61.266 58.100 0.074 0.000 1.181 42 Y CB -1.020 37.457 38.460 0.027 0.000 0.989 42 Y HN -0.147 8.185 8.280 0.087 0.000 0.527 43 A N -0.528 122.458 122.820 0.276 0.000 1.972 43 A HA -0.257 4.177 4.320 0.190 0.000 0.219 43 A C 1.296 178.983 177.584 0.172 0.000 1.169 43 A CA 2.588 54.747 52.037 0.203 0.000 0.635 43 A CB -0.718 18.397 19.000 0.192 0.000 0.810 43 A HN -0.620 7.917 8.150 0.291 -0.212 0.446 44 M N -4.997 114.713 119.600 0.184 0.000 2.618 44 M HA -0.071 4.505 4.480 0.160 0.000 0.240 44 M C -0.598 175.810 176.300 0.181 0.000 1.123 44 M CA 0.189 55.601 55.300 0.187 0.000 1.060 44 M CB 0.361 33.106 32.600 0.242 0.000 1.535 44 M HN -0.537 7.750 8.290 0.191 0.118 0.507 45 N N -1.407 117.398 118.700 0.175 0.000 2.716 45 N HA -0.407 4.427 4.740 0.157 0.000 0.250 45 N C -0.866 174.725 175.510 0.136 0.000 1.033 45 N CA 0.752 53.889 53.050 0.145 0.000 0.727 45 N CB -1.601 36.947 38.487 0.103 0.000 0.950 45 N HN -0.572 7.724 8.380 0.186 0.196 0.541 46 F N -0.613 119.355 119.950 0.030 0.000 2.623 46 F HA -0.356 4.205 4.527 0.058 0.000 0.383 46 F C -0.378 175.438 175.800 0.026 0.000 1.077 46 F CA 1.449 59.472 58.000 0.039 0.000 1.268 46 F CB 0.621 39.654 39.000 0.056 0.000 1.053 46 F HN -0.441 8.047 8.300 0.309 -0.002 0.571 47 E N 7.960 127.747 120.200 -0.688 0.000 2.217 47 E HA 0.152 4.377 4.350 -0.209 0.000 0.279 47 E C -1.647 174.746 176.600 -0.345 0.000 1.068 47 E CA -2.779 53.370 56.400 -0.418 0.000 0.882 47 E CB 0.561 30.021 29.700 -0.399 0.000 1.039 47 E HN 0.341 8.068 8.360 -1.054 0.000 0.418 48 P HA 0.172 4.682 4.420 0.149 0.000 0.245 48 P C -1.129 176.164 177.300 -0.011 0.000 1.199 48 P CA -0.035 63.092 63.100 0.045 0.000 0.807 48 P CB 0.764 32.508 31.700 0.073 0.000 1.002 49 R N -0.487 119.979 120.500 -0.057 0.000 2.390 49 R HA 0.004 4.302 4.340 -0.071 0.000 0.291 49 R C -0.893 175.337 176.300 -0.118 0.000 1.070 49 R CA -0.660 55.395 56.100 -0.074 0.000 1.014 49 R CB 0.624 30.889 30.300 -0.059 0.000 1.007 49 R HN -0.380 8.162 8.270 -0.071 -0.315 0.466 50 A N 4.920 127.602 122.820 -0.230 0.000 2.415 50 A HA 0.258 4.509 4.320 -0.393 -0.167 0.309 50 A C -0.391 177.021 177.584 -0.286 0.000 1.356 50 A CA -0.657 51.056 52.037 -0.540 0.000 0.998 50 A CB -0.337 17.973 19.000 -1.149 0.000 1.145 50 A HN 0.294 8.307 8.150 -0.227 0.000 0.545 51 T N 0.792 115.390 114.554 0.073 0.000 2.864 51 T HA 0.421 4.862 4.350 0.152 0.000 0.289 51 T C -0.466 174.379 174.700 0.241 0.000 1.082 51 T CA -2.866 59.316 62.100 0.137 0.000 1.009 51 T CB 2.185 71.051 68.868 -0.003 0.000 1.234 51 T HN -0.490 8.014 8.240 0.152 -0.173 0.526 52 D N -1.306 119.005 120.400 -0.148 0.000 2.309 52 D HA -0.241 4.360 4.640 -0.065 0.000 0.212 52 D C 1.381 177.642 176.300 -0.065 0.000 0.968 52 D CA 2.508 56.332 54.000 -0.293 0.000 0.882 52 D CB -1.045 39.260 40.800 -0.824 0.000 0.918 52 D HN 0.493 8.668 8.370 -0.324 0.000 0.503 53 K N -1.908 118.470 120.400 -0.037 0.000 2.362 53 K HA -0.195 4.106 4.320 -0.032 0.000 0.200 53 K C 0.627 177.241 176.600 0.023 0.000 1.046 53 K CA 1.913 58.190 56.287 -0.017 0.000 0.952 53 K CB -0.421 32.062 32.500 -0.029 0.000 0.753 53 K HN -0.801 7.389 8.250 -0.046 0.033 0.466 54 D N -2.973 117.482 120.400 0.091 0.000 2.317 54 D HA -0.015 4.658 4.640 0.055 0.000 0.211 54 D C -0.573 175.759 176.300 0.053 0.000 0.966 54 D CA 1.350 55.408 54.000 0.097 0.000 0.876 54 D CB 0.716 41.651 40.800 0.226 0.000 0.927 54 D HN -0.460 7.952 8.370 0.147 0.046 0.519 55 I N -1.604 118.997 120.570 0.052 0.000 2.328 55 I HA 0.193 4.500 4.170 0.012 -0.129 0.287 55 I C 0.220 176.343 176.117 0.010 0.000 1.012 55 I CA -0.654 60.663 61.300 0.028 0.000 1.195 55 I CB 0.456 38.490 38.000 0.057 0.000 1.350 55 I HN -0.774 7.437 8.210 0.067 0.039 0.464 56 T N 4.496 119.048 114.554 -0.004 0.000 3.100 56 T HA 0.061 4.405 4.350 -0.011 0.000 0.253 56 T C 0.805 175.497 174.700 -0.013 0.000 1.118 56 T CA 0.162 62.256 62.100 -0.011 0.000 1.058 56 T CB 0.491 69.349 68.868 -0.016 0.000 0.953 56 T HN 0.421 8.551 8.240 -0.007 0.106 0.515 57 G N 1.923 110.715 108.800 -0.012 0.000 2.535 57 G HA2 0.197 4.147 3.960 -0.016 0.000 0.303 57 G HA3 0.197 4.146 3.960 -0.018 0.000 0.303 57 G C -1.296 173.602 174.900 -0.004 0.000 1.237 57 G CA -1.125 43.967 45.100 -0.014 0.000 0.986 57 G HN -0.812 7.435 8.290 -0.011 0.037 0.494 58 T N 0.792 115.343 114.554 -0.005 0.000 2.884 58 T HA -0.041 4.311 4.350 0.003 0.000 0.298 58 T C 0.222 174.932 174.700 0.015 0.000 0.998 58 T CA 0.376 62.477 62.100 0.002 0.000 1.124 58 T CB 0.439 69.305 68.868 -0.002 0.000 0.931 58 T HN -0.042 8.192 8.240 -0.010 0.000 0.531 59 L N 5.367 126.611 121.223 0.035 0.000 2.467 59 L HA -0.073 4.411 4.340 0.070 -0.102 0.270 59 L C 1.119 178.014 176.870 0.041 0.000 1.205 59 L CA 0.216 55.094 54.840 0.065 0.000 0.828 59 L CB 0.510 42.642 42.059 0.122 0.000 1.101 59 L HN 0.189 8.439 8.230 0.032 0.000 0.479 60 S N 2.392 118.112 115.700 0.033 0.000 2.428 60 S HA -0.184 4.290 4.470 0.006 0.000 0.230 60 S C 0.473 175.088 174.600 0.024 0.000 1.014 60 S CA 1.689 59.897 58.200 0.014 0.000 0.957 60 S CB 0.556 63.754 63.200 -0.003 0.000 0.784 60 S HN 0.423 9.190 8.310 0.036 -0.435 0.499 61 N N 0.413 119.141 118.700 0.046 0.000 2.581 61 N HA 0.380 5.142 4.740 0.037 0.000 0.279 61 N C -2.460 173.099 175.510 0.080 0.000 1.124 61 N CA -2.676 50.404 53.050 0.050 0.000 0.833 61 N CB 1.632 40.142 38.487 0.039 0.000 1.338 61 N HN -0.797 7.738 8.380 0.064 -0.117 0.533 62 P HA 0.162 4.626 4.420 0.073 0.000 0.245 62 P C 0.035 177.368 177.300 0.056 0.000 1.206 62 P CA 0.749 63.885 63.100 0.059 0.000 0.781 62 P CB 0.666 32.386 31.700 0.033 0.000 0.994 63 E N -1.212 119.019 120.200 0.053 0.000 2.086 63 E HA -0.004 4.370 4.350 0.040 0.000 0.190 63 E C -0.006 176.634 176.600 0.066 0.000 0.975 63 E CA 1.367 57.795 56.400 0.047 0.000 0.813 63 E CB 1.141 30.861 29.700 0.035 0.000 0.768 63 E HN -0.190 8.398 8.360 0.050 -0.198 0.457 64 V N -0.403 119.560 119.914 0.082 0.000 2.524 64 V HA 0.046 4.230 4.120 0.107 0.000 0.297 64 V C -1.859 174.320 176.094 0.143 0.000 1.035 64 V CA -0.907 61.451 62.300 0.097 0.000 0.867 64 V CB 1.685 33.541 31.823 0.055 0.000 1.004 64 V HN -0.705 7.755 8.190 0.079 -0.223 0.426 65 F N 8.508 128.475 119.950 0.028 0.000 2.411 65 F HA 0.123 4.668 4.527 0.031 0.000 0.355 65 F C -1.468 174.365 175.800 0.055 0.000 1.117 65 F CA -0.351 57.672 58.000 0.039 0.000 1.139 65 F CB 1.030 40.058 39.000 0.046 0.000 1.120 65 F HN 0.028 8.505 8.300 0.295 0.000 0.493 66 N N 9.040 127.356 118.700 -0.639 0.000 2.483 66 N HA 0.112 4.631 4.740 -0.368 0.000 0.267 66 N C -0.700 174.357 175.510 -0.756 0.000 0.998 66 N CA -1.379 51.367 53.050 -0.507 0.000 0.918 66 N CB 1.786 40.142 38.487 -0.218 0.000 1.215 66 N HN 0.123 8.151 8.380 -0.588 0.000 0.500 67 Y N 7.448 127.290 120.300 -0.763 0.000 2.128 67 Y HA -0.394 3.688 4.550 -0.779 0.000 0.284 67 Y C 0.697 176.463 175.900 -0.222 0.000 1.154 67 Y CA 3.879 61.665 58.100 -0.522 0.000 1.149 67 Y CB 0.429 38.809 38.460 -0.133 0.000 0.976 67 Y HN 0.695 8.787 8.280 -0.313 0.000 0.505 68 G N -2.367 106.389 108.800 -0.072 0.000 2.421 68 G HA2 -0.403 3.546 3.960 -0.019 0.000 0.216 68 G HA3 -0.403 3.574 3.960 0.029 0.000 0.216 68 G C 1.150 176.005 174.900 -0.075 0.000 1.171 68 G CA 2.107 47.185 45.100 -0.037 0.000 0.775 68 G HN -0.315 8.058 8.290 0.007 -0.079 0.543 69 V N 2.821 122.679 119.914 -0.093 0.000 2.295 69 V HA -0.572 3.571 4.120 0.038 0.000 0.246 69 V C 2.017 178.062 176.094 -0.082 0.000 1.049 69 V CA 4.095 66.368 62.300 -0.045 0.000 1.024 69 V CB -0.005 31.779 31.823 -0.065 0.000 0.648 69 V HN -0.510 7.893 8.190 -0.119 -0.284 0.447 70 E N -1.588 118.495 120.200 -0.195 0.000 2.107 70 E HA -0.194 4.105 4.350 -0.085 0.000 0.191 70 E C 2.666 179.184 176.600 -0.138 0.000 0.982 70 E CA 2.954 59.269 56.400 -0.142 0.000 0.809 70 E CB -0.270 29.366 29.700 -0.107 0.000 0.756 70 E HN -0.233 7.949 8.360 -0.298 0.000 0.459 71 T N -1.876 112.526 114.554 -0.253 0.000 2.904 71 T HA -0.332 3.928 4.350 -0.151 0.000 0.267 71 T C 1.320 176.018 174.700 -0.003 0.000 1.059 71 T CA 4.417 66.400 62.100 -0.196 0.000 1.137 71 T CB -0.200 68.441 68.868 -0.378 0.000 0.879 71 T HN 0.045 8.062 8.240 -0.372 0.000 0.467 72 H N 3.790 122.796 119.070 -0.107 0.000 2.319 72 H HA -0.265 4.424 4.556 -0.051 -0.164 0.299 72 H C 2.050 177.379 175.328 0.002 0.000 1.092 72 H CA 3.135 59.150 56.048 -0.056 0.000 1.302 72 H CB 0.501 30.213 29.762 -0.084 0.000 1.373 72 H HN -0.287 8.026 8.280 0.056 0.000 0.497 73 E N -2.013 118.104 120.200 -0.138 0.000 2.106 73 E HA -0.321 3.850 4.350 -0.299 0.000 0.192 73 E C 2.125 178.669 176.600 -0.093 0.000 0.984 73 E CA 2.339 58.627 56.400 -0.187 0.000 0.806 73 E CB -0.411 29.212 29.700 -0.129 0.000 0.750 73 E HN -0.516 7.798 8.360 -0.075 0.000 0.458 74 A N 0.331 123.124 122.820 -0.044 0.000 1.902 74 A HA -0.228 4.064 4.320 -0.047 0.000 0.217 74 A C 1.883 179.456 177.584 -0.019 0.000 1.181 74 A CA 2.840 54.858 52.037 -0.031 0.000 0.623 74 A CB -0.526 18.461 19.000 -0.021 0.000 0.818 74 A HN 0.057 8.182 8.150 -0.041 0.000 0.443 75 Y N -0.010 120.252 120.300 -0.062 0.000 2.128 75 Y HA -0.474 4.051 4.550 -0.043 0.000 0.284 75 Y C 2.489 178.365 175.900 -0.040 0.000 1.154 75 Y CA 3.712 61.790 58.100 -0.037 0.000 1.149 75 Y CB -0.062 38.405 38.460 0.012 0.000 0.976 75 Y HN 0.066 8.445 8.280 0.163 0.000 0.505 76 K N -1.980 118.392 120.400 -0.047 0.000 2.152 76 K HA -0.333 3.904 4.320 -0.137 0.000 0.206 76 K C 1.682 178.177 176.600 -0.174 0.000 1.048 76 K CA 2.629 58.840 56.287 -0.128 0.000 0.933 76 K CB -0.222 32.214 32.500 -0.107 0.000 0.721 76 K HN -0.620 7.659 8.250 0.047 0.000 0.447 77 Q N -4.003 115.707 119.800 -0.150 0.000 2.246 77 Q HA 0.116 4.387 4.340 -0.114 0.000 0.202 77 Q C -1.176 174.744 176.000 -0.134 0.000 0.883 77 Q CA -0.789 54.941 55.803 -0.122 0.000 0.952 77 Q CB 0.219 28.904 28.738 -0.088 0.000 1.078 77 Q HN -0.619 7.437 8.270 -0.132 0.135 0.493 78 R N -3.147 117.233 120.500 -0.200 0.000 3.333 78 R HA -0.323 3.874 4.340 -0.238 0.000 0.256 78 R C -0.882 175.352 176.300 -0.109 0.000 1.010 78 R CA 1.080 57.071 56.100 -0.183 0.000 0.680 78 R CB -2.229 27.978 30.300 -0.154 0.000 1.102 78 R HN -0.540 7.407 8.270 -0.272 0.160 0.440 79 S N -2.791 112.856 115.700 -0.089 0.000 2.661 79 S HA 0.269 4.709 4.470 -0.050 0.000 0.245 79 S C -0.962 173.617 174.600 -0.034 0.000 1.117 79 S CA -0.507 57.661 58.200 -0.053 0.000 1.091 79 S CB 0.916 64.089 63.200 -0.046 0.000 0.887 79 S HN -0.214 8.038 8.310 -0.097 0.000 0.491 80 L N 0.141 121.344 121.223 -0.033 0.000 2.360 80 L HA 0.459 4.943 4.340 -0.006 -0.147 0.271 80 L C 0.264 177.125 176.870 -0.015 0.000 1.057 80 L CA -1.539 53.294 54.840 -0.012 0.000 0.803 80 L CB 2.366 44.428 42.059 0.005 0.000 1.207 80 L HN -0.581 7.620 8.230 -0.048 0.000 0.445 81 A N 0.770 123.586 122.820 -0.006 0.000 2.520 81 A HA -0.062 4.251 4.320 -0.012 0.000 0.235 81 A C 0.254 177.831 177.584 -0.011 0.000 1.065 81 A CA 0.385 52.416 52.037 -0.010 0.000 0.764 81 A CB 0.617 19.610 19.000 -0.012 0.000 1.002 81 A HN 0.238 8.390 8.150 0.003 0.000 0.502 82 S N 0.670 116.365 115.700 -0.008 0.000 2.447 82 S HA -0.164 4.303 4.470 -0.004 0.000 0.233 82 S C 0.931 175.543 174.600 0.020 0.000 1.006 82 S CA 1.902 60.103 58.200 0.001 0.000 0.957 82 S CB 0.043 63.246 63.200 0.005 0.000 0.773 82 S HN 0.483 8.788 8.310 -0.009 0.000 0.507 83 D N 0.760 121.172 120.400 0.020 0.000 2.144 83 D HA -0.182 4.520 4.640 0.103 0.000 0.200 83 D C 2.024 178.391 176.300 0.112 0.000 0.978 83 D CA 2.410 56.453 54.000 0.071 0.000 0.833 83 D CB -1.113 39.691 40.800 0.006 0.000 0.961 83 D HN 0.428 8.777 8.370 -0.002 0.020 0.470 84 I N 0.474 121.067 120.570 0.039 0.000 2.202 84 I HA -0.389 3.798 4.170 0.029 0.000 0.242 84 I C 1.756 177.836 176.117 -0.062 0.000 1.091 84 I CA 3.393 64.693 61.300 -0.000 0.000 1.368 84 I CB -0.050 37.939 38.000 -0.019 0.000 1.058 84 I HN -0.851 7.364 8.210 0.008 0.000 0.410 85 T N -1.895 112.632 114.554 -0.045 0.000 2.951 85 T HA -0.281 4.133 4.350 -0.131 -0.143 0.268 85 T C 1.932 176.607 174.700 -0.041 0.000 1.073 85 T CA 3.105 65.161 62.100 -0.072 0.000 1.134 85 T CB -0.237 68.601 68.868 -0.050 0.000 0.884 85 T HN -0.481 7.745 8.240 -0.024 0.000 0.479 86 D N 2.083 122.490 120.400 0.011 0.000 2.123 86 D HA -0.292 4.373 4.640 0.042 0.000 0.196 86 D C 2.383 178.719 176.300 0.061 0.000 0.992 86 D CA 3.616 57.645 54.000 0.049 0.000 0.833 86 D CB -0.606 40.246 40.800 0.087 0.000 0.954 86 D HN -0.044 8.339 8.370 0.023 0.000 0.455 87 E N -1.362 118.871 120.200 0.055 0.000 2.107 87 E HA -0.224 4.231 4.350 0.175 0.000 0.191 87 E C 2.492 179.087 176.600 -0.008 0.000 0.982 87 E CA 2.190 58.636 56.400 0.076 0.000 0.809 87 E CB -0.519 29.164 29.700 -0.028 0.000 0.756 87 E HN -0.704 7.685 8.360 0.049 0.000 0.459 88 Q N -0.429 119.250 119.800 -0.202 0.000 2.124 88 Q HA -0.322 3.726 4.340 -0.487 0.000 0.202 88 Q C 2.275 178.246 176.000 -0.047 0.000 0.977 88 Q CA 3.212 58.754 55.803 -0.434 0.000 0.850 88 Q CB -0.122 28.058 28.738 -0.931 0.000 0.901 88 Q HN -0.059 8.080 8.270 -0.220 0.000 0.429 89 K N -0.043 120.362 120.400 0.008 0.000 2.057 89 K HA -0.372 4.014 4.320 0.110 0.000 0.207 89 K C 2.091 178.774 176.600 0.138 0.000 1.049 89 K CA 3.320 59.659 56.287 0.086 0.000 0.931 89 K CB -0.191 32.345 32.500 0.060 0.000 0.714 89 K HN -0.136 8.102 8.250 -0.020 0.000 0.440 90 K N -1.688 118.798 120.400 0.144 0.000 2.057 90 K HA -0.295 4.110 4.320 0.141 0.000 0.207 90 K C 2.671 179.408 176.600 0.229 0.000 1.049 90 K CA 3.216 59.605 56.287 0.171 0.000 0.931 90 K CB -0.042 32.565 32.500 0.180 0.000 0.714 90 K HN -0.805 7.521 8.250 0.127 0.000 0.440 91 V N -0.429 119.673 119.914 0.314 0.000 2.307 91 V HA -0.516 3.838 4.120 0.390 0.000 0.245 91 V C 1.403 177.709 176.094 0.353 0.000 1.045 91 V CA 3.786 66.334 62.300 0.413 0.000 1.024 91 V CB -0.124 32.054 31.823 0.592 0.000 0.651 91 V HN -0.279 8.093 8.190 0.305 0.000 0.449 92 R N -0.713 120.024 120.500 0.395 0.000 2.105 92 R HA -0.441 4.039 4.340 0.233 0.000 0.239 92 R C 2.621 179.024 176.300 0.171 0.000 1.135 92 R CA 3.590 59.862 56.100 0.288 0.000 0.967 92 R CB -0.089 30.418 30.300 0.345 0.000 0.861 92 R HN 0.100 8.632 8.270 0.437 0.000 0.442 93 E N -2.938 117.360 120.200 0.163 0.000 2.371 93 E HA -0.137 4.272 4.350 0.098 0.000 0.194 93 E C -0.620 176.051 176.600 0.119 0.000 1.012 93 E CA 0.260 56.730 56.400 0.117 0.000 0.860 93 E CB 0.110 29.870 29.700 0.100 0.000 0.811 93 E HN -0.592 7.865 8.360 0.179 0.010 0.502 94 A N -0.078 122.836 122.820 0.157 0.000 2.371 94 A HA -0.131 4.278 4.320 0.148 0.000 0.257 94 A C -0.920 176.771 177.584 0.179 0.000 1.089 94 A CA 0.104 52.243 52.037 0.169 0.000 0.794 94 A CB 1.095 20.216 19.000 0.202 0.000 1.029 94 A HN -0.735 7.370 8.150 0.183 0.155 0.488 95 D N 0.245 120.765 120.400 0.200 0.000 2.301 95 D HA 0.073 4.829 4.640 0.195 0.000 0.206 95 D C -0.715 175.781 176.300 0.327 0.000 0.979 95 D CA 2.677 56.822 54.000 0.242 0.000 0.874 95 D CB 2.681 43.616 40.800 0.224 0.000 0.968 95 D HN 0.099 8.481 8.370 0.201 0.108 0.510 96 L N -1.230 120.178 121.223 0.310 0.000 2.436 96 L HA 0.702 5.370 4.340 0.199 -0.209 0.268 96 L C -2.798 174.140 176.870 0.113 0.000 0.974 96 L CA -0.712 54.246 54.840 0.197 0.000 0.826 96 L CB 3.951 46.051 42.059 0.069 0.000 1.291 96 L HN -0.706 7.698 8.230 0.290 0.000 0.406 97 V N 6.370 126.308 119.914 0.039 0.000 2.409 97 V HA 0.610 4.850 4.120 -0.152 -0.211 0.291 97 V C -1.427 174.489 176.094 -0.296 0.000 1.020 97 V CA -1.409 60.795 62.300 -0.160 0.000 0.848 97 V CB 2.066 33.786 31.823 -0.172 0.000 0.990 97 V HN 0.274 8.498 8.190 0.056 0.000 0.430 98 I N 6.182 126.557 120.570 -0.325 0.000 2.359 98 I HA 0.418 4.897 4.170 -0.085 -0.360 0.294 98 I C -1.106 174.755 176.117 -0.427 0.000 0.987 98 I CA -1.268 59.910 61.300 -0.204 0.000 1.225 98 I CB 2.284 40.278 38.000 -0.010 0.000 1.366 98 I HN 0.500 8.533 8.210 -0.295 0.000 0.466 99 F N 6.445 126.371 119.950 -0.040 0.000 2.404 99 F HA 0.525 5.191 4.527 -0.077 -0.185 0.354 99 F C -1.209 174.656 175.800 0.109 0.000 1.122 99 F CA -1.442 56.563 58.000 0.009 0.000 1.080 99 F CB 1.613 40.639 39.000 0.042 0.000 1.131 99 F HN 0.569 9.022 8.300 0.255 0.000 0.471 100 Q N 5.828 125.774 119.800 0.243 0.000 2.357 100 Q HA 0.877 5.369 4.340 -0.058 -0.186 0.266 100 Q C -1.720 174.399 176.000 0.199 0.000 1.021 100 Q CA -1.904 53.971 55.803 0.120 0.000 0.784 100 Q CB 2.051 30.890 28.738 0.170 0.000 1.243 100 Q HN 0.380 8.768 8.270 0.197 0.000 0.465 101 F N 1.246 121.156 119.950 -0.066 0.000 2.678 101 F HA 0.711 5.191 4.527 -0.108 -0.018 0.308 101 F C -3.246 172.495 175.800 -0.098 0.000 1.118 101 F CA -2.841 55.094 58.000 -0.107 0.000 0.959 101 F CB 2.210 41.116 39.000 -0.156 0.000 1.305 101 F HN 0.398 8.405 8.300 -0.488 0.000 0.443 102 P HA 0.341 4.854 4.420 -0.058 -0.127 0.278 102 P C -1.382 175.982 177.300 0.108 0.000 1.238 102 P CA -0.825 62.284 63.100 0.016 0.000 0.794 102 P CB 1.001 32.785 31.700 0.140 0.000 0.955 103 L N 2.493 123.746 121.223 0.051 0.000 2.410 103 L HA -0.047 4.578 4.340 0.218 -0.154 0.273 103 L C -0.564 176.476 176.870 0.283 0.000 1.144 103 L CA 0.102 54.999 54.840 0.095 0.000 0.863 103 L CB 0.391 42.327 42.059 -0.207 0.000 1.140 103 L HN -0.113 8.088 8.230 -0.047 0.000 0.463 104 Y N 6.366 126.685 120.300 0.032 0.000 2.326 104 Y HA 0.232 4.669 4.550 -0.188 0.000 0.331 104 Y C -0.326 175.646 175.900 0.120 0.000 0.962 104 Y CA -2.171 55.909 58.100 -0.034 0.000 1.167 104 Y CB 1.223 39.717 38.460 0.056 0.000 1.148 104 Y HN 0.204 8.671 8.280 0.311 0.000 0.463 105 W N 5.104 126.543 121.300 0.233 0.000 6.486 105 W HA -0.362 4.396 4.660 0.164 0.000 0.411 105 W C -1.072 175.633 176.519 0.309 0.000 1.595 105 W CA 0.251 57.712 57.345 0.193 0.000 1.075 105 W CB -1.754 27.769 29.460 0.105 0.000 2.798 105 W HN 0.390 8.347 8.180 -0.372 0.000 1.534 106 F N -5.260 114.777 119.950 0.145 0.000 3.057 106 F HA -0.424 3.939 4.527 -0.274 0.000 0.287 106 F C -1.281 174.557 175.800 0.063 0.000 0.834 106 F CA 0.993 59.001 58.000 0.013 0.000 1.147 106 F CB -1.835 37.303 39.000 0.230 0.000 1.245 106 F HN 0.092 8.698 8.300 0.510 0.000 0.509 107 S N -4.985 110.855 115.700 0.233 0.000 2.873 107 S HA 0.220 4.805 4.470 0.193 0.000 0.303 107 S C -2.113 172.538 174.600 0.086 0.000 1.222 107 S CA -1.876 56.436 58.200 0.186 0.000 0.923 107 S CB 1.346 64.670 63.200 0.206 0.000 1.286 107 S HN -0.724 7.608 8.310 0.235 0.119 0.571 108 V N -2.584 117.252 119.914 -0.129 0.000 2.785 108 V HA 0.375 4.154 4.120 -0.568 0.000 0.300 108 V C -2.149 173.838 176.094 -0.178 0.000 1.062 108 V CA -2.910 59.132 62.300 -0.430 0.000 1.029 108 V CB 0.331 31.724 31.823 -0.717 0.000 1.024 108 V HN 0.266 8.384 8.190 -0.119 0.000 0.477 109 P HA -0.047 4.368 4.420 -0.009 0.000 0.266 109 P C 0.337 177.606 177.300 -0.051 0.000 1.193 109 P CA 0.341 63.303 63.100 -0.230 0.000 0.770 109 P CB 0.309 31.683 31.700 -0.544 0.000 0.836 110 A N 4.968 127.853 122.820 0.107 0.000 1.948 110 A HA -0.349 4.010 4.320 0.066 0.000 0.220 110 A C 1.589 179.189 177.584 0.028 0.000 1.177 110 A CA 3.163 55.248 52.037 0.079 0.000 0.636 110 A CB -0.272 18.803 19.000 0.125 0.000 0.815 110 A HN 0.598 8.885 8.150 0.227 0.000 0.449 111 I N -3.006 117.543 120.570 -0.036 0.000 2.286 111 I HA -0.375 3.821 4.170 0.043 0.000 0.248 111 I C 1.027 177.133 176.117 -0.018 0.000 1.115 111 I CA 2.554 63.816 61.300 -0.064 0.000 1.392 111 I CB 0.155 37.938 38.000 -0.362 0.000 1.065 111 I HN -0.175 7.989 8.210 -0.051 0.014 0.418 112 L N -0.336 120.807 121.223 -0.133 0.000 2.131 112 L HA -0.242 4.030 4.340 -0.113 0.000 0.206 112 L C 1.430 178.297 176.870 -0.004 0.000 1.087 112 L CA 2.735 57.497 54.840 -0.130 0.000 0.767 112 L CB -0.750 41.127 42.059 -0.302 0.000 0.917 112 L HN -0.641 7.474 8.230 -0.192 0.000 0.441 113 K N -0.112 120.265 120.400 -0.038 0.000 2.074 113 K HA -0.301 4.009 4.320 -0.017 0.000 0.209 113 K C 2.416 179.080 176.600 0.107 0.000 1.048 113 K CA 2.373 58.666 56.287 0.011 0.000 0.926 113 K CB -0.827 31.674 32.500 0.002 0.000 0.713 113 K HN -0.171 8.035 8.250 -0.074 0.000 0.444 114 G N -3.439 105.453 108.800 0.153 0.000 2.422 114 G HA2 -0.250 3.830 3.960 0.139 0.000 0.218 114 G HA3 -0.250 3.928 3.960 0.230 -0.080 0.218 114 G C 0.293 175.431 174.900 0.398 0.000 1.140 114 G CA 1.561 46.793 45.100 0.220 0.000 0.775 114 G HN 0.004 8.370 8.290 0.131 0.002 0.545 115 W N 3.063 124.486 121.300 0.206 0.000 2.381 115 W HA -0.397 4.469 4.660 0.343 0.000 0.301 115 W C 1.330 177.925 176.519 0.127 0.000 1.205 115 W CA 3.960 61.375 57.345 0.118 0.000 1.285 115 W CB 0.220 29.509 29.460 -0.284 0.000 1.133 115 W HN -0.747 7.615 8.180 0.461 0.095 0.521 116 M N -1.930 117.976 119.600 0.510 0.000 2.080 116 M HA -0.600 4.123 4.480 0.405 0.000 0.260 116 M C 2.143 178.532 176.300 0.147 0.000 1.068 116 M CA 4.573 60.066 55.300 0.322 0.000 1.109 116 M CB -0.364 32.350 32.600 0.189 0.000 1.342 116 M HN -0.356 8.216 8.290 0.471 0.000 0.405 117 D N -2.499 117.979 120.400 0.129 0.000 2.144 117 D HA -0.240 4.448 4.640 0.080 0.000 0.199 117 D C 1.724 178.110 176.300 0.145 0.000 0.984 117 D CA 2.861 56.917 54.000 0.093 0.000 0.834 117 D CB -0.410 40.409 40.800 0.031 0.000 0.955 117 D HN -0.196 8.261 8.370 0.145 0.000 0.465 118 R N -3.884 116.697 120.500 0.135 0.000 2.175 118 R HA -0.008 4.501 4.340 0.282 0.000 0.202 118 R C 1.596 177.923 176.300 0.045 0.000 1.018 118 R CA 1.218 57.418 56.100 0.167 0.000 1.029 118 R CB 1.046 31.441 30.300 0.159 0.000 0.959 118 R HN -0.535 7.798 8.270 0.137 0.020 0.480 119 V N -1.375 118.460 119.914 -0.132 0.000 2.535 119 V HA -0.219 3.730 4.120 -0.286 0.000 0.246 119 V C 0.507 176.519 176.094 -0.136 0.000 1.045 119 V CA 3.035 65.127 62.300 -0.345 0.000 1.058 119 V CB 0.910 32.119 31.823 -1.023 0.000 0.689 119 V HN -0.276 7.818 8.190 -0.160 0.000 0.461 120 L N 0.461 121.695 121.223 0.019 0.000 2.648 120 L HA -0.056 4.519 4.340 0.391 0.000 0.238 120 L C -0.655 176.380 176.870 0.274 0.000 1.316 120 L CA -0.779 54.208 54.840 0.244 0.000 1.241 120 L CB -2.049 40.166 42.059 0.260 0.000 1.499 120 L HN -0.734 7.496 8.230 -0.000 0.000 0.411 121 C N -1.362 118.041 119.300 0.172 0.000 2.422 121 C HA 0.205 4.775 4.460 0.183 0.000 0.364 121 C C -0.740 174.151 174.990 -0.164 0.000 1.251 121 C CA -2.887 56.179 59.018 0.079 0.000 2.441 121 C CB 3.081 30.821 27.740 -0.001 0.000 2.393 121 C HN -0.383 7.883 8.230 0.133 0.044 0.606 122 Q N 2.141 121.712 119.800 -0.381 0.000 2.361 122 Q HA -0.348 3.005 4.340 -1.901 -0.153 0.276 122 Q C 1.533 177.188 176.000 -0.575 0.000 1.022 122 Q CA 1.795 56.959 55.803 -1.065 0.000 0.898 122 Q CB 0.709 28.805 28.738 -1.071 0.000 1.246 122 Q HN 0.439 8.599 8.270 -0.183 0.000 0.410 123 G N 6.419 114.866 108.800 -0.587 0.000 2.336 123 G HA2 -0.335 3.552 3.960 -0.122 0.000 0.233 123 G HA3 -0.335 3.622 3.960 -0.006 0.000 0.233 123 G C -1.132 173.474 174.900 -0.491 0.000 1.053 123 G CA 0.833 45.784 45.100 -0.249 0.000 0.625 123 G HN 0.876 8.705 8.290 -0.767 0.000 0.511 124 F N 1.664 121.052 119.950 -0.936 0.000 2.298 124 F HA 0.052 4.164 4.527 -0.691 0.000 0.282 124 F C -1.143 174.462 175.800 -0.324 0.000 1.045 124 F CA 1.017 58.558 58.000 -0.766 0.000 1.280 124 F CB 1.858 40.364 39.000 -0.824 0.000 1.114 124 F HN -0.646 7.170 8.300 -0.654 0.092 0.546 125 A N -4.561 118.011 122.820 -0.413 0.000 2.063 125 A HA 0.035 4.000 4.320 -0.592 0.000 0.211 125 A C -1.450 176.102 177.584 -0.053 0.000 1.177 125 A CA 0.686 52.551 52.037 -0.285 0.000 0.759 125 A CB 1.962 21.039 19.000 0.128 0.000 0.857 125 A HN -0.175 7.854 8.150 -0.202 0.000 0.468 126 F N -8.631 111.199 119.950 -0.200 0.000 2.741 126 F HA 0.797 5.277 4.527 -0.233 -0.093 0.313 126 F C -2.968 172.742 175.800 -0.149 0.000 1.153 126 F CA -1.417 56.468 58.000 -0.190 0.000 0.931 126 F CB 2.459 41.355 39.000 -0.174 0.000 1.335 126 F HN -0.929 7.144 8.300 -0.379 0.000 0.460 127 D N -1.542 118.771 120.400 -0.145 0.000 2.652 127 D HA 0.264 4.554 4.640 -0.583 0.000 0.285 127 D C -1.847 174.547 176.300 0.157 0.000 1.173 127 D CA -1.877 51.983 54.000 -0.232 0.000 0.981 127 D CB 4.998 45.693 40.800 -0.175 0.000 1.440 127 D HN 0.036 8.322 8.370 0.049 0.114 0.485 128 I N -0.269 120.361 120.570 0.100 0.000 2.437 128 I HA 0.302 4.714 4.170 0.404 0.000 0.279 128 I C -1.546 174.643 176.117 0.120 0.000 1.028 128 I CA -2.756 58.685 61.300 0.234 0.000 1.142 128 I CB 0.456 38.582 38.000 0.210 0.000 1.266 128 I HN -0.060 8.140 8.210 -0.018 0.000 0.461 129 P HA 0.123 4.620 4.420 0.129 0.000 0.278 129 P C -1.095 176.189 177.300 -0.027 0.000 1.266 129 P CA -0.339 62.784 63.100 0.037 0.000 0.807 129 P CB 1.244 32.909 31.700 -0.057 0.000 1.094 130 G N -2.147 106.538 108.800 -0.191 0.000 2.678 130 G HA2 -0.165 3.763 3.960 -0.227 0.000 0.175 130 G HA3 -0.165 3.733 3.960 -0.104 0.000 0.175 130 G C -2.138 172.663 174.900 -0.164 0.000 1.078 130 G CA -0.142 44.852 45.100 -0.177 0.000 0.864 130 G HN 0.146 8.172 8.290 -0.439 0.000 0.521 131 F N -3.213 116.529 119.950 -0.347 0.000 2.715 131 F HA 0.801 4.995 4.527 -0.713 -0.095 0.318 131 F C -1.678 173.789 175.800 -0.555 0.000 1.141 131 F CA -2.421 55.129 58.000 -0.750 0.000 0.950 131 F CB 2.234 40.294 39.000 -1.567 0.000 1.374 131 F HN -0.775 6.997 8.300 -0.881 0.000 0.477 132 Y N -2.342 117.714 120.300 -0.406 0.000 2.845 132 Y HA -0.544 3.920 4.550 -0.541 -0.239 0.468 132 Y C 1.961 177.747 175.900 -0.189 0.000 1.163 132 Y CA 2.092 59.948 58.100 -0.407 0.000 2.636 132 Y CB -2.113 36.114 38.460 -0.389 0.000 1.194 132 Y HN 0.020 7.576 8.280 -1.041 0.100 0.626 133 D N -0.551 119.920 120.400 0.119 0.000 2.221 133 D HA -0.144 4.613 4.640 0.195 0.000 0.204 133 D C 0.658 176.948 176.300 -0.017 0.000 0.982 133 D CA 2.298 56.366 54.000 0.115 0.000 0.857 133 D CB -0.532 40.334 40.800 0.110 0.000 0.934 133 D HN 0.336 8.788 8.370 0.136 0.000 0.475 134 S N -2.810 112.817 115.700 -0.121 0.000 2.614 134 S HA 0.056 4.460 4.470 -0.109 0.000 0.230 134 S C 0.679 175.172 174.600 -0.178 0.000 0.952 134 S CA -0.674 57.434 58.200 -0.154 0.000 0.949 134 S CB 0.143 63.227 63.200 -0.194 0.000 0.786 134 S HN -0.649 7.540 8.310 -0.173 0.017 0.478 135 G N 1.465 110.160 108.800 -0.175 0.000 2.664 135 G HA2 -0.037 3.959 3.960 -0.187 0.000 0.242 135 G HA3 -0.037 3.880 3.960 -0.191 -0.072 0.242 135 G C -0.322 174.473 174.900 -0.176 0.000 1.225 135 G CA -0.401 44.588 45.100 -0.184 0.000 0.849 135 G HN -0.146 7.892 8.290 -0.148 0.163 0.581 136 L N 0.039 121.144 121.223 -0.197 0.000 2.554 136 L HA -0.125 4.099 4.340 -0.193 0.000 0.226 136 L C 0.743 177.427 176.870 -0.310 0.000 1.137 136 L CA 0.725 55.422 54.840 -0.238 0.000 0.863 136 L CB 0.074 41.968 42.059 -0.275 0.000 0.985 136 L HN -0.192 7.933 8.230 -0.176 0.000 0.451 137 L N -3.324 117.673 121.223 -0.378 0.000 2.653 137 L HA 0.103 4.176 4.340 -0.445 0.000 0.231 137 L C -0.663 175.961 176.870 -0.411 0.000 1.153 137 L CA -1.104 53.428 54.840 -0.513 0.000 0.933 137 L CB -1.181 40.341 42.059 -0.895 0.000 1.175 137 L HN -0.253 7.724 8.230 -0.353 0.042 0.473 138 Q N -0.654 119.001 119.800 -0.242 0.000 2.414 138 Q HA -0.278 4.233 4.340 -0.107 -0.235 0.288 138 Q C 1.117 177.060 176.000 -0.094 0.000 1.086 138 Q CA 1.181 56.905 55.803 -0.130 0.000 0.943 138 Q CB 0.350 29.038 28.738 -0.085 0.000 1.282 138 Q HN -0.856 7.211 8.270 -0.221 0.070 0.438 139 G N 1.844 110.625 108.800 -0.033 0.000 2.179 139 G HA2 -0.347 3.626 3.960 0.021 0.000 0.260 139 G HA3 -0.347 3.608 3.960 -0.010 0.000 0.260 139 G C -0.581 174.343 174.900 0.040 0.000 0.977 139 G CA -0.006 45.096 45.100 0.002 0.000 0.641 139 G HN 0.587 8.869 8.290 -0.013 0.000 0.533 140 K N -0.198 120.220 120.400 0.030 0.000 2.166 140 K HA 0.304 4.837 4.320 0.177 -0.106 0.245 140 K C -1.429 175.361 176.600 0.316 0.000 0.967 140 K CA -1.170 55.213 56.287 0.159 0.000 0.863 140 K CB 2.902 35.465 32.500 0.104 0.000 1.107 140 K HN -0.708 7.454 8.250 -0.042 0.063 0.436 141 L N -1.004 120.433 121.223 0.356 0.000 2.331 141 L HA 0.898 5.591 4.340 0.264 -0.194 0.275 141 L C -1.348 175.675 176.870 0.254 0.000 1.022 141 L CA -1.674 53.332 54.840 0.276 0.000 0.812 141 L CB 2.808 44.949 42.059 0.136 0.000 1.257 141 L HN 0.054 8.483 8.230 0.331 0.000 0.435 142 A N 0.511 123.377 122.820 0.077 0.000 2.454 142 A HA 1.103 5.562 4.320 -0.123 -0.213 0.302 142 A C -2.726 174.837 177.584 -0.034 0.000 1.079 142 A CA -2.054 49.904 52.037 -0.132 0.000 0.731 142 A CB 4.332 22.989 19.000 -0.572 0.000 1.299 142 A HN 0.525 8.731 8.150 0.093 0.000 0.413 143 L N 1.309 122.552 121.223 0.033 0.000 2.505 143 L HA 0.432 4.788 4.340 0.027 0.000 0.266 143 L C -2.314 174.644 176.870 0.147 0.000 0.954 143 L CA -0.311 54.565 54.840 0.060 0.000 0.852 143 L CB 4.319 46.413 42.059 0.058 0.000 1.282 143 L HN -0.136 8.140 8.230 0.076 0.000 0.403 144 L N 5.970 127.250 121.223 0.095 0.000 2.264 144 L HA 0.276 4.773 4.340 0.262 0.000 0.289 144 L C -1.174 175.623 176.870 -0.123 0.000 1.044 144 L CA -0.651 54.255 54.840 0.111 0.000 0.807 144 L CB 0.948 43.090 42.059 0.137 0.000 1.192 144 L HN 0.713 8.972 8.230 0.048 0.000 0.425 145 S N 4.072 119.617 115.700 -0.260 0.000 2.520 145 S HA 0.657 4.964 4.470 -0.592 -0.192 0.324 145 S C -1.091 173.079 174.600 -0.717 0.000 1.069 145 S CA -1.551 56.307 58.200 -0.570 0.000 1.121 145 S CB 0.687 63.419 63.200 -0.779 0.000 0.971 145 S HN 0.782 9.006 8.310 -0.143 0.000 0.463 146 V N 8.431 127.918 119.914 -0.711 0.000 2.628 146 V HA 0.944 4.572 4.120 -1.200 -0.227 0.306 146 V C -0.889 174.879 176.094 -0.544 0.000 1.045 146 V CA -2.450 59.344 62.300 -0.843 0.000 0.905 146 V CB 3.762 35.195 31.823 -0.650 0.000 0.997 146 V HN 0.818 8.652 8.190 -0.594 0.000 0.436 147 T N 1.471 115.775 114.554 -0.416 0.000 2.912 147 T HA 0.958 5.359 4.350 -0.251 -0.202 0.288 147 T C -0.375 174.204 174.700 -0.202 0.000 1.030 147 T CA -2.653 59.313 62.100 -0.223 0.000 1.020 147 T CB 2.470 71.337 68.868 -0.002 0.000 1.056 147 T HN 0.168 8.144 8.240 -0.440 0.000 0.480 148 T N -2.173 112.285 114.554 -0.161 0.000 2.916 148 T HA 0.455 4.753 4.350 -0.086 0.000 0.292 148 T C 0.092 174.805 174.700 0.022 0.000 1.064 148 T CA -2.818 59.238 62.100 -0.074 0.000 1.011 148 T CB 3.418 72.259 68.868 -0.044 0.000 1.152 148 T HN -0.278 7.870 8.240 -0.153 0.000 0.510 149 G N 0.027 108.863 108.800 0.061 0.000 2.395 149 G HA2 -0.067 3.909 3.960 0.026 0.000 0.214 149 G HA3 -0.067 3.913 3.960 0.033 0.000 0.214 149 G C 0.084 175.061 174.900 0.128 0.000 1.177 149 G CA 0.038 45.173 45.100 0.059 0.000 0.794 149 G HN 0.436 8.761 8.290 0.059 0.000 0.532 150 G N 0.515 109.473 108.800 0.263 0.000 2.569 150 G HA2 0.056 4.093 3.960 0.129 0.000 0.249 150 G HA3 0.056 4.190 3.960 0.292 0.000 0.249 150 G C -1.355 173.763 174.900 0.363 0.000 1.216 150 G CA -0.936 44.329 45.100 0.274 0.000 0.845 150 G HN -0.312 8.179 8.290 0.336 0.000 0.568 151 T N -1.911 112.741 114.554 0.164 0.000 2.849 151 T HA 0.147 4.572 4.350 0.124 0.000 0.284 151 T C 1.193 175.835 174.700 -0.095 0.000 1.004 151 T CA -1.904 60.238 62.100 0.071 0.000 1.021 151 T CB 2.593 71.444 68.868 -0.028 0.000 1.013 151 T HN -0.528 7.754 8.240 0.069 0.000 0.527 152 A N 1.880 124.372 122.820 -0.546 0.000 1.927 152 A HA -0.307 2.752 4.320 -2.100 0.000 0.220 152 A C 2.034 179.340 177.584 -0.462 0.000 1.185 152 A CA 3.034 54.397 52.037 -1.124 0.000 0.639 152 A CB -0.945 17.493 19.000 -0.937 0.000 0.820 152 A HN 0.634 8.528 8.150 -0.425 0.000 0.451 153 E N -3.089 116.954 120.200 -0.262 0.000 2.208 153 E HA -0.239 4.010 4.350 -0.169 0.000 0.193 153 E C 1.933 178.455 176.600 -0.130 0.000 0.988 153 E CA 2.204 58.505 56.400 -0.165 0.000 0.828 153 E CB -0.689 28.940 29.700 -0.118 0.000 0.763 153 E HN 0.370 8.579 8.360 -0.232 0.013 0.478 154 M N -1.524 117.993 119.600 -0.138 0.000 2.319 154 M HA -0.203 4.194 4.480 -0.140 0.000 0.265 154 M C 0.553 176.704 176.300 -0.249 0.000 1.068 154 M CA 3.192 58.382 55.300 -0.184 0.000 1.118 154 M CB 0.785 33.248 32.600 -0.228 0.000 1.395 154 M HN -0.866 7.345 8.290 -0.132 0.000 0.435 155 Y N -2.020 118.238 120.300 -0.070 0.000 2.928 155 Y HA 0.343 5.082 4.550 0.023 -0.174 0.390 155 Y C -0.879 174.941 175.900 -0.133 0.000 1.101 155 Y CA -1.387 56.694 58.100 -0.033 0.000 1.777 155 Y CB -2.090 36.441 38.460 0.117 0.000 1.720 155 Y HN -0.816 7.323 8.280 -0.023 0.127 0.484 156 T N -7.264 107.266 114.554 -0.040 0.000 2.888 156 T HA 0.496 4.771 4.350 -0.125 0.000 0.288 156 T C 0.879 175.534 174.700 -0.075 0.000 1.063 156 T CA -3.390 58.656 62.100 -0.091 0.000 1.010 156 T CB 3.304 72.117 68.868 -0.092 0.000 1.214 156 T HN -0.878 7.256 8.240 -0.053 0.074 0.533 157 K N 0.661 121.012 120.400 -0.083 0.000 2.152 157 K HA -0.252 4.090 4.320 0.037 0.000 0.206 157 K C 1.190 177.819 176.600 0.048 0.000 1.048 157 K CA 3.386 59.676 56.287 0.005 0.000 0.933 157 K CB -0.114 32.397 32.500 0.018 0.000 0.721 157 K HN 0.760 8.948 8.250 -0.104 0.000 0.447 158 T N -7.540 107.018 114.554 0.008 0.000 3.105 158 T HA 0.136 4.503 4.350 0.028 0.000 0.253 158 T C 0.315 175.015 174.700 -0.000 0.000 1.047 158 T CA -1.156 60.951 62.100 0.011 0.000 0.944 158 T CB 0.308 69.174 68.868 -0.004 0.000 1.016 158 T HN -0.486 7.728 8.240 -0.015 0.017 0.544 159 G N 2.339 111.132 108.800 -0.011 0.000 2.502 159 G HA2 0.223 4.165 3.960 -0.031 0.000 0.305 159 G HA3 0.223 4.405 3.960 -0.056 -0.255 0.305 159 G C 0.479 175.375 174.900 -0.006 0.000 1.190 159 G CA -1.593 43.489 45.100 -0.030 0.000 0.933 159 G HN -0.579 7.580 8.290 -0.013 0.124 0.503 160 V N -3.345 116.555 119.914 -0.024 0.000 2.594 160 V HA -0.259 3.879 4.120 0.030 0.000 0.253 160 V C -0.002 176.125 176.094 0.055 0.000 1.069 160 V CA 2.812 65.118 62.300 0.011 0.000 1.082 160 V CB 0.167 31.988 31.823 -0.004 0.000 0.680 160 V HN 0.105 8.267 8.190 -0.046 0.000 0.469 161 N N -2.000 116.691 118.700 -0.015 0.000 2.422 161 N HA 0.064 5.000 4.740 0.327 0.000 0.181 161 N C 0.148 175.829 175.510 0.286 0.000 1.080 161 N CA -0.499 52.615 53.050 0.107 0.000 0.893 161 N CB 0.640 38.833 38.487 -0.491 0.000 0.973 161 N HN -0.456 7.830 8.380 -0.119 0.022 0.456 162 G N -0.173 108.743 108.800 0.192 0.000 2.781 162 G HA2 -0.338 3.827 3.960 0.239 0.000 0.683 162 G HA3 -0.338 3.915 3.960 0.488 0.000 0.683 162 G C -2.738 172.166 174.900 0.007 0.000 1.390 162 G CA -0.619 44.636 45.100 0.258 0.000 0.850 162 G HN -0.752 7.604 8.290 0.110 0.000 0.557 163 D N -0.337 119.736 120.400 -0.544 0.000 2.472 163 D HA -0.159 4.450 4.640 -0.321 -0.161 0.237 163 D C 1.698 177.736 176.300 -0.436 0.000 1.141 163 D CA 1.487 55.111 54.000 -0.627 0.000 0.875 163 D CB 1.103 41.273 40.800 -1.050 0.000 1.192 163 D HN 0.037 7.874 8.370 -0.888 0.000 0.450 164 S N 6.985 122.532 115.700 -0.254 0.000 2.419 164 S HA -0.351 3.814 4.470 -0.509 0.000 0.233 164 S C 1.759 175.834 174.600 -0.876 0.000 1.016 164 S CA 3.002 60.873 58.200 -0.547 0.000 0.974 164 S CB 0.207 63.217 63.200 -0.317 0.000 0.786 164 S HN 0.131 8.343 8.310 -0.164 0.000 0.492 165 R N 0.152 120.322 120.500 -0.549 0.000 2.193 165 R HA -0.329 3.842 4.340 -0.282 0.000 0.229 165 R C 1.953 178.228 176.300 -0.042 0.000 1.110 165 R CA 2.748 58.636 56.100 -0.354 0.000 0.988 165 R CB -0.302 29.689 30.300 -0.514 0.000 0.871 165 R HN -0.513 7.733 8.270 -0.530 -0.294 0.458 166 Y N -2.907 117.361 120.300 -0.053 0.000 2.181 166 Y HA -0.311 4.435 4.550 0.326 0.000 0.288 166 Y C 2.587 178.695 175.900 0.347 0.000 1.146 166 Y CA 0.735 58.986 58.100 0.251 0.000 1.164 166 Y CB -0.672 38.005 38.460 0.361 0.000 0.982 166 Y HN -0.456 7.540 8.280 -0.254 0.132 0.515 167 F N -2.072 118.131 119.950 0.422 0.000 2.502 167 F HA -0.063 4.745 4.527 0.469 0.000 0.298 167 F C 0.365 176.364 175.800 0.333 0.000 1.111 167 F CA 0.875 59.090 58.000 0.357 0.000 1.445 167 F CB -1.217 37.857 39.000 0.123 0.000 1.081 167 F HN -0.922 7.405 8.300 0.044 0.000 0.558 168 L N -2.376 118.944 121.223 0.162 0.000 2.376 168 L HA -0.233 4.323 4.340 0.361 0.000 0.219 168 L C 1.428 178.542 176.870 0.407 0.000 1.133 168 L CA 1.569 56.589 54.840 0.300 0.000 0.816 168 L CB -0.532 41.650 42.059 0.206 0.000 0.933 168 L HN -0.689 7.335 8.230 -0.115 0.137 0.449 169 W N 1.271 122.690 121.300 0.199 0.000 2.333 169 W HA -0.106 4.254 4.660 -0.500 0.000 0.316 169 W C -1.284 175.292 176.519 0.094 0.000 1.215 169 W CA 4.096 61.404 57.345 -0.061 0.000 1.278 169 W CB -2.539 26.970 29.460 0.082 0.000 1.154 169 W HN -0.704 7.791 8.180 0.600 0.046 0.486 170 P HA -0.255 4.070 4.420 -0.158 0.000 0.218 170 P C 1.013 178.279 177.300 -0.055 0.000 1.149 170 P CA 3.113 66.206 63.100 -0.011 0.000 0.817 170 P CB -0.438 31.346 31.700 0.140 0.000 0.785 171 L N -3.454 117.789 121.223 0.034 0.000 2.084 171 L HA -0.211 4.078 4.340 -0.085 0.000 0.202 171 L C 2.378 179.228 176.870 -0.033 0.000 1.074 171 L CA 2.727 57.552 54.840 -0.026 0.000 0.757 171 L CB -0.409 41.662 42.059 0.020 0.000 0.918 171 L HN -0.726 7.566 8.230 0.126 0.014 0.444 172 Q N -2.369 117.461 119.800 0.051 0.000 2.049 172 Q HA -0.348 4.017 4.340 0.042 0.000 0.198 172 Q C 2.638 178.683 176.000 0.075 0.000 0.971 172 Q CA 3.624 59.478 55.803 0.084 0.000 0.833 172 Q CB 0.278 29.151 28.738 0.226 0.000 0.896 172 Q HN 0.391 8.730 8.270 0.115 0.000 0.434 173 H N 0.527 119.472 119.070 -0.209 0.000 2.344 173 H HA 0.057 4.643 4.556 0.051 0.000 0.307 173 H C 2.182 177.402 175.328 -0.180 0.000 1.057 173 H CA 2.630 58.506 56.048 -0.286 0.000 1.373 173 H CB 0.945 30.054 29.762 -1.089 0.000 1.421 173 H HN -0.110 8.066 8.280 -0.173 0.000 0.532 174 G N -4.637 103.959 108.800 -0.340 0.000 2.443 174 G HA2 -0.141 3.644 3.960 -0.291 0.000 0.219 174 G HA3 -0.141 3.685 3.960 -0.310 -0.052 0.219 174 G C 0.489 175.221 174.900 -0.280 0.000 1.131 174 G CA 1.778 46.692 45.100 -0.311 0.000 0.775 174 G HN -0.326 7.719 8.290 -0.408 0.000 0.547 175 T N 0.993 115.457 114.554 -0.150 0.000 3.286 175 T HA 0.093 4.373 4.350 -0.117 0.000 0.237 175 T C 0.902 175.658 174.700 0.093 0.000 0.969 175 T CA 2.025 64.083 62.100 -0.070 0.000 1.298 175 T CB 1.490 70.303 68.868 -0.090 0.000 1.053 175 T HN -0.929 7.214 8.240 -0.127 0.021 0.402 176 L N 1.085 122.365 121.223 0.094 0.000 1.994 176 L HA -0.442 4.133 4.340 0.391 0.000 0.208 176 L C 1.567 178.681 176.870 0.407 0.000 1.071 176 L CA 3.909 58.901 54.840 0.253 0.000 0.745 176 L CB -0.142 41.942 42.059 0.042 0.000 0.892 176 L HN -0.244 7.997 8.230 0.018 0.000 0.431 177 H N -0.181 118.984 119.070 0.158 0.000 2.389 177 H HA -0.248 4.582 4.556 0.189 -0.160 0.299 177 H C 3.038 178.459 175.328 0.155 0.000 1.081 177 H CA 2.105 58.254 56.048 0.168 0.000 1.345 177 H CB 0.518 30.354 29.762 0.124 0.000 1.393 177 H HN -0.205 8.248 8.280 0.289 0.000 0.520 178 F N 2.210 122.048 119.950 -0.186 0.000 2.161 178 F HA -0.331 3.555 4.527 -1.162 -0.056 0.300 178 F C 1.213 176.848 175.800 -0.275 0.000 1.089 178 F CA 3.482 61.101 58.000 -0.634 0.000 1.282 178 F CB 0.127 38.677 39.000 -0.750 0.000 1.010 178 F HN -0.558 7.815 8.300 0.122 0.000 0.485 179 C N -3.517 115.827 119.300 0.074 0.000 2.539 179 C HA -0.079 4.471 4.460 -0.020 -0.102 0.271 179 C C -0.390 174.540 174.990 -0.100 0.000 1.412 179 C CA 1.550 60.584 59.018 0.027 0.000 1.729 179 C CB -0.752 27.095 27.740 0.178 0.000 1.739 179 C HN -0.320 8.038 8.230 0.214 0.000 0.570 180 G N -2.086 106.714 108.800 -0.001 0.000 2.176 180 G HA2 -0.420 3.780 3.960 0.088 0.000 0.232 180 G HA3 -0.420 3.482 3.960 -0.096 0.000 0.232 180 G C -0.359 174.564 174.900 0.038 0.000 0.986 180 G CA -0.147 44.954 45.100 0.002 0.000 0.643 180 G HN -0.316 7.833 8.290 0.085 0.191 0.522 181 F N 1.099 121.112 119.950 0.106 0.000 2.553 181 F HA -0.152 4.554 4.527 0.081 -0.130 0.356 181 F C 0.185 176.023 175.800 0.064 0.000 1.142 181 F CA 1.707 59.763 58.000 0.094 0.000 1.322 181 F CB 0.561 39.633 39.000 0.121 0.000 1.126 181 F HN -0.671 7.799 8.300 0.284 0.000 0.599 182 K N 1.043 121.589 120.400 0.243 0.000 2.205 182 K HA 0.199 4.540 4.320 0.035 0.000 0.279 182 K C -1.435 175.222 176.600 0.095 0.000 1.027 182 K CA -1.567 54.781 56.287 0.102 0.000 0.932 182 K CB 0.525 33.065 32.500 0.067 0.000 1.032 182 K HN -0.053 8.346 8.250 0.248 0.000 0.466 183 V N 4.243 124.148 119.914 -0.015 0.000 2.370 183 V HA 0.348 4.612 4.120 -0.015 -0.152 0.283 183 V C -0.959 175.072 176.094 -0.104 0.000 1.023 183 V CA -1.089 61.178 62.300 -0.055 0.000 0.857 183 V CB 0.919 32.678 31.823 -0.105 0.000 0.985 183 V HN 0.501 8.647 8.190 -0.073 0.000 0.443 184 L N 6.223 127.404 121.223 -0.069 0.000 2.436 184 L HA 0.115 4.407 4.340 -0.080 0.000 0.265 184 L C 0.161 176.978 176.870 -0.089 0.000 1.168 184 L CA -0.793 54.004 54.840 -0.073 0.000 0.815 184 L CB 0.637 42.666 42.059 -0.050 0.000 1.109 184 L HN 0.141 8.344 8.230 -0.045 0.000 0.462 185 A N 1.169 123.948 122.820 -0.068 0.000 2.565 185 A HA -0.005 4.269 4.320 -0.078 0.000 0.237 185 A C -1.823 175.759 177.584 -0.004 0.000 1.053 185 A CA -0.924 51.096 52.037 -0.029 0.000 0.755 185 A CB -1.325 17.704 19.000 0.048 0.000 0.980 185 A HN 0.450 8.568 8.150 -0.053 0.000 0.506 186 P HA 0.080 4.571 4.420 -0.037 -0.094 0.274 186 P C -1.390 175.870 177.300 -0.066 0.000 1.231 186 P CA -0.800 62.282 63.100 -0.030 0.000 0.790 186 P CB 0.925 32.614 31.700 -0.019 0.000 0.951 187 Q N 2.071 121.772 119.800 -0.165 0.000 2.360 187 Q HA 0.272 4.528 4.340 -0.141 0.000 0.254 187 Q C -1.505 174.280 176.000 -0.358 0.000 0.975 187 Q CA -0.987 54.666 55.803 -0.250 0.000 0.912 187 Q CB 1.035 29.481 28.738 -0.486 0.000 1.212 187 Q HN 0.204 8.353 8.270 -0.201 0.000 0.452 188 I N 8.347 128.718 120.570 -0.331 0.000 2.382 188 I HA 0.483 4.532 4.170 -0.537 -0.200 0.286 188 I C -0.367 175.419 176.117 -0.553 0.000 1.002 188 I CA -1.253 59.724 61.300 -0.539 0.000 1.135 188 I CB 1.439 38.999 38.000 -0.733 0.000 1.288 188 I HN 0.468 8.531 8.210 -0.244 0.000 0.448 189 S N 8.634 124.062 115.700 -0.454 0.000 2.474 189 S HA 0.256 4.663 4.470 -0.106 0.000 0.320 189 S C -1.364 173.094 174.600 -0.236 0.000 1.067 189 S CA -1.076 57.011 58.200 -0.188 0.000 1.127 189 S CB 0.557 63.812 63.200 0.092 0.000 0.971 189 S HN 0.517 8.556 8.310 -0.452 0.000 0.472 190 F N 4.728 124.644 119.950 -0.056 0.000 2.427 190 F HA -0.033 4.455 4.527 -0.064 0.000 0.352 190 F C 0.872 176.618 175.800 -0.089 0.000 1.100 190 F CA 0.563 58.529 58.000 -0.057 0.000 1.191 190 F CB 0.532 39.524 39.000 -0.012 0.000 1.128 190 F HN 0.188 8.562 8.300 0.123 0.000 0.533 191 A N 0.473 123.349 122.820 0.094 0.000 2.610 191 A HA -0.320 4.145 4.320 0.003 -0.144 0.299 191 A C -1.084 176.427 177.584 -0.122 0.000 1.487 191 A CA 0.225 52.271 52.037 0.014 0.000 0.743 191 A CB -1.921 17.123 19.000 0.072 0.000 1.070 191 A HN 0.109 8.314 8.150 0.092 0.000 0.439 192 P HA -0.266 3.840 4.420 -0.523 0.000 0.218 192 P C 0.600 177.708 177.300 -0.320 0.000 1.148 192 P CA 1.908 64.678 63.100 -0.550 0.000 0.822 192 P CB 0.352 31.277 31.700 -1.293 0.000 0.784 193 E N -4.883 115.198 120.200 -0.199 0.000 2.204 193 E HA -0.222 4.061 4.350 -0.113 0.000 0.194 193 E C 0.916 177.469 176.600 -0.079 0.000 0.989 193 E CA 2.050 58.383 56.400 -0.111 0.000 0.824 193 E CB -0.346 29.316 29.700 -0.062 0.000 0.756 193 E HN 0.310 8.544 8.360 -0.177 0.020 0.477 194 I N -8.351 112.175 120.570 -0.074 0.000 4.025 194 I HA 0.238 4.382 4.170 -0.042 0.000 0.336 194 I C -0.433 175.654 176.117 -0.050 0.000 1.390 194 I CA -1.330 59.941 61.300 -0.048 0.000 1.099 194 I CB 0.408 38.390 38.000 -0.030 0.000 1.049 194 I HN -0.785 7.354 8.210 -0.082 0.023 0.394 195 A N 2.816 125.591 122.820 -0.076 0.000 2.287 195 A HA 0.236 4.642 4.320 -0.045 -0.113 0.273 195 A C -0.060 177.493 177.584 -0.052 0.000 1.091 195 A CA -0.878 51.120 52.037 -0.065 0.000 0.817 195 A CB 2.046 20.988 19.000 -0.097 0.000 1.069 195 A HN -0.541 7.427 8.150 -0.107 0.118 0.492 196 S N -0.155 115.527 115.700 -0.030 0.000 2.614 196 S HA -0.024 4.435 4.470 -0.017 0.000 0.265 196 S C 1.152 175.746 174.600 -0.010 0.000 1.303 196 S CA -1.202 56.989 58.200 -0.017 0.000 1.000 196 S CB 1.407 64.603 63.200 -0.006 0.000 0.935 196 S HN 0.153 8.794 8.310 -0.024 -0.346 0.551 197 E N 2.191 122.391 120.200 0.001 0.000 2.118 197 E HA -0.381 3.981 4.350 0.020 0.000 0.195 197 E C 1.643 178.261 176.600 0.031 0.000 0.992 197 E CA 3.962 60.373 56.400 0.018 0.000 0.804 197 E CB -0.299 29.413 29.700 0.021 0.000 0.741 197 E HN 0.795 9.156 8.360 0.001 0.000 0.458 198 E N -2.320 117.894 120.200 0.023 0.000 2.106 198 E HA -0.251 4.120 4.350 0.035 0.000 0.192 198 E C 2.635 179.258 176.600 0.038 0.000 0.984 198 E CA 2.802 59.220 56.400 0.030 0.000 0.806 198 E CB -0.796 28.916 29.700 0.021 0.000 0.750 198 E HN 0.324 8.693 8.360 0.016 0.000 0.458 199 E N 0.014 120.230 120.200 0.027 0.000 2.077 199 E HA -0.333 4.039 4.350 0.037 0.000 0.193 199 E C 2.565 179.200 176.600 0.058 0.000 0.989 199 E CA 2.911 59.329 56.400 0.030 0.000 0.800 199 E CB -0.185 29.518 29.700 0.004 0.000 0.746 199 E HN -0.430 7.855 8.360 0.016 0.084 0.452 200 R N -1.082 119.449 120.500 0.052 0.000 2.081 200 R HA -0.335 4.091 4.340 0.144 0.000 0.235 200 R C 2.437 178.886 176.300 0.249 0.000 1.131 200 R CA 3.402 59.593 56.100 0.152 0.000 0.960 200 R CB -0.140 30.221 30.300 0.102 0.000 0.856 200 R HN -0.160 8.124 8.270 0.024 0.000 0.436 201 K N -1.241 119.244 120.400 0.141 0.000 2.063 201 K HA -0.338 4.050 4.320 0.113 0.000 0.208 201 K C 2.301 178.962 176.600 0.102 0.000 1.048 201 K CA 3.438 59.790 56.287 0.108 0.000 0.928 201 K CB -0.382 32.158 32.500 0.067 0.000 0.713 201 K HN -0.285 8.028 8.250 0.105 0.000 0.442 202 G N -1.981 106.876 108.800 0.096 0.000 2.408 202 G HA2 -0.214 3.788 3.960 0.070 0.000 0.217 202 G HA3 -0.214 3.791 3.960 0.074 0.000 0.217 202 G C 1.323 176.290 174.900 0.112 0.000 1.150 202 G CA 1.778 46.929 45.100 0.085 0.000 0.776 202 G HN -0.236 8.008 8.290 0.090 0.099 0.542 203 M N 1.761 121.459 119.600 0.162 0.000 2.229 203 M HA -0.334 4.240 4.480 0.156 0.000 0.264 203 M C 2.158 178.559 176.300 0.169 0.000 1.063 203 M CA 3.759 59.179 55.300 0.199 0.000 1.114 203 M CB 0.061 32.858 32.600 0.329 0.000 1.387 203 M HN -0.455 7.942 8.290 0.179 0.000 0.420 204 V N 0.087 120.084 119.914 0.139 0.000 2.358 204 V HA -0.547 3.573 4.120 -0.001 0.000 0.246 204 V C 1.490 177.642 176.094 0.097 0.000 1.047 204 V CA 4.329 66.658 62.300 0.049 0.000 1.035 204 V CB -0.254 31.564 31.823 -0.008 0.000 0.658 204 V HN -0.311 7.986 8.190 0.179 0.000 0.452 205 A N -1.667 121.200 122.820 0.079 0.000 2.015 205 A HA -0.269 4.071 4.320 0.033 0.000 0.219 205 A C 1.557 179.182 177.584 0.067 0.000 1.163 205 A CA 2.936 55.005 52.037 0.053 0.000 0.646 205 A CB -1.004 18.020 19.000 0.040 0.000 0.806 205 A HN -0.326 7.873 8.150 0.081 0.000 0.448 206 A N -0.141 122.742 122.820 0.105 0.000 1.898 206 A HA -0.231 4.137 4.320 0.079 0.000 0.216 206 A C 1.063 178.751 177.584 0.173 0.000 1.181 206 A CA 2.617 54.722 52.037 0.114 0.000 0.620 206 A CB -0.499 18.572 19.000 0.119 0.000 0.819 206 A HN -0.300 7.804 8.150 0.115 0.115 0.442 207 W N -0.991 120.278 121.300 -0.052 0.000 2.335 207 W HA -0.502 4.110 4.660 -0.079 0.000 0.311 207 W C 1.518 177.988 176.519 -0.081 0.000 1.213 207 W CA 2.411 59.708 57.345 -0.081 0.000 1.274 207 W CB 0.295 29.685 29.460 -0.117 0.000 1.148 207 W HN -0.596 7.781 8.180 0.328 0.000 0.498 208 S N -0.271 115.367 115.700 -0.103 0.000 2.359 208 S HA -0.572 3.653 4.470 -0.409 0.000 0.224 208 S C 2.048 176.523 174.600 -0.208 0.000 1.035 208 S CA 3.300 61.354 58.200 -0.244 0.000 1.018 208 S CB -0.328 62.803 63.200 -0.115 0.000 0.876 208 S HN -0.466 7.869 8.310 0.042 0.000 0.448 209 Q N 0.487 120.227 119.800 -0.099 0.000 2.084 209 Q HA -0.300 3.993 4.340 -0.078 0.000 0.202 209 Q C 2.740 178.679 176.000 -0.101 0.000 0.978 209 Q CA 2.913 58.671 55.803 -0.075 0.000 0.844 209 Q CB -0.041 28.684 28.738 -0.022 0.000 0.898 209 Q HN -0.412 7.828 8.270 -0.049 0.000 0.426 210 R N 0.312 120.755 120.500 -0.096 0.000 2.091 210 R HA -0.285 4.017 4.340 -0.063 0.000 0.238 210 R C 2.617 178.777 176.300 -0.234 0.000 1.136 210 R CA 3.139 59.178 56.100 -0.103 0.000 0.959 210 R CB -0.232 30.070 30.300 0.003 0.000 0.856 210 R HN -0.293 7.943 8.270 -0.057 0.000 0.437 211 L N -3.176 117.795 121.223 -0.420 0.000 2.191 211 L HA -0.286 3.742 4.340 -0.520 0.000 0.212 211 L C 2.418 179.122 176.870 -0.278 0.000 1.103 211 L CA 2.464 57.012 54.840 -0.486 0.000 0.769 211 L CB -0.477 41.174 42.059 -0.680 0.000 0.908 211 L HN -0.271 7.663 8.230 -0.494 0.000 0.438 212 Q N -3.471 116.217 119.800 -0.186 0.000 2.248 212 Q HA -0.258 4.194 4.340 -0.072 -0.155 0.208 212 Q C 1.112 177.085 176.000 -0.045 0.000 0.984 212 Q CA 2.522 58.271 55.803 -0.090 0.000 0.875 212 Q CB 0.478 29.177 28.738 -0.066 0.000 0.910 212 Q HN -0.476 7.561 8.270 -0.192 0.118 0.433 213 T N -7.697 106.811 114.554 -0.075 0.000 3.288 213 T HA 0.289 4.652 4.350 0.022 0.000 0.293 213 T C 0.385 175.036 174.700 -0.082 0.000 1.008 213 T CA -2.101 59.981 62.100 -0.030 0.000 0.929 213 T CB 1.349 70.207 68.868 -0.016 0.000 1.152 213 T HN -0.546 7.595 8.240 -0.114 0.031 0.517 214 I N 4.220 124.656 120.570 -0.223 0.000 2.264 214 I HA -0.326 3.690 4.170 -0.256 0.000 0.248 214 I C 0.643 176.555 176.117 -0.341 0.000 1.111 214 I CA 3.244 64.325 61.300 -0.366 0.000 1.382 214 I CB 0.220 37.846 38.000 -0.622 0.000 1.060 214 I HN -0.679 7.270 8.210 -0.257 0.108 0.418 215 W N -5.599 115.679 121.300 -0.035 0.000 2.699 215 W HA -0.207 4.445 4.660 -0.013 0.000 0.249 215 W C 0.283 176.795 176.519 -0.012 0.000 1.280 215 W CA 0.731 58.064 57.345 -0.020 0.000 1.345 215 W CB -0.742 28.705 29.460 -0.023 0.000 1.128 215 W HN -0.013 8.070 8.180 -0.135 0.016 0.642 216 K N -4.017 116.464 120.400 0.135 0.000 2.393 216 K HA 0.033 4.415 4.320 0.103 0.000 0.193 216 K C 0.369 176.996 176.600 0.045 0.000 1.026 216 K CA -0.086 56.252 56.287 0.086 0.000 1.064 216 K CB 0.120 32.656 32.500 0.061 0.000 0.833 216 K HN -0.578 7.568 8.250 0.087 0.157 0.521 217 E N 1.402 121.611 120.200 0.015 0.000 2.383 217 E HA -0.089 4.264 4.350 0.005 0.000 0.264 217 E C -0.726 175.881 176.600 0.011 0.000 1.050 217 E CA 0.276 56.676 56.400 0.000 0.000 0.896 217 E CB 0.532 30.213 29.700 -0.032 0.000 0.982 217 E HN -0.766 7.592 8.360 -0.005 0.000 0.424 218 E N 2.411 122.616 120.200 0.009 0.000 2.277 218 E HA 0.292 4.650 4.350 0.013 0.000 0.274 218 E C -1.572 175.018 176.600 -0.017 0.000 1.022 218 E CA -2.780 53.624 56.400 0.006 0.000 0.853 218 E CB 0.293 30.000 29.700 0.010 0.000 1.086 218 E HN 0.071 8.437 8.360 0.009 0.000 0.397 219 P HA -0.019 4.446 4.420 -0.074 -0.090 0.272 219 P C -0.458 176.774 177.300 -0.114 0.000 1.240 219 P CA -0.543 62.516 63.100 -0.069 0.000 0.791 219 P CB 0.540 32.206 31.700 -0.056 0.000 0.978 220 I N -4.117 116.319 120.570 -0.223 0.000 2.713 220 I HA 0.396 4.428 4.170 -0.230 0.000 0.300 220 I C -1.540 174.372 176.117 -0.342 0.000 1.009 220 I CA -3.294 57.789 61.300 -0.362 0.000 1.305 220 I CB -0.150 37.355 38.000 -0.825 0.000 1.430 220 I HN 0.128 8.189 8.210 -0.249 0.000 0.546 221 P HA 0.037 4.393 4.420 -0.107 0.000 0.275 221 P C -1.220 175.971 177.300 -0.182 0.000 1.276 221 P CA -0.868 62.155 63.100 -0.128 0.000 0.782 221 P CB -0.471 31.264 31.700 0.058 0.000 0.851 222 C N 5.901 125.107 119.300 -0.156 0.000 2.518 222 C HA 0.052 4.515 4.460 0.004 0.000 0.456 222 C C -0.616 174.600 174.990 0.377 0.000 1.016 222 C CA -0.403 58.633 59.018 0.030 0.000 1.210 222 C CB -2.495 25.173 27.740 -0.120 0.000 1.542 222 C HN 0.432 8.535 8.230 -0.212 0.000 0.545 223 T N -0.667 114.174 114.554 0.479 0.000 2.901 223 T HA 0.351 4.976 4.350 0.458 0.000 0.293 223 T C 0.039 175.113 174.700 0.623 0.000 1.084 223 T CA -2.353 60.045 62.100 0.497 0.000 1.008 223 T CB 2.956 72.045 68.868 0.369 0.000 1.170 223 T HN -0.662 7.866 8.240 0.481 0.000 0.509 224 A N 0.946 124.030 122.820 0.440 0.000 1.948 224 A HA -0.315 4.022 4.320 0.029 0.000 0.220 224 A C 1.605 179.364 177.584 0.292 0.000 1.177 224 A CA 3.434 55.614 52.037 0.238 0.000 0.636 224 A CB -0.917 18.152 19.000 0.115 0.000 0.815 224 A HN 0.660 9.028 8.150 0.363 0.000 0.449 225 H N -1.728 117.478 119.070 0.227 0.000 2.357 225 H HA -0.224 4.420 4.556 0.147 0.000 0.301 225 H C 1.989 177.410 175.328 0.156 0.000 1.082 225 H CA 3.683 59.834 56.048 0.172 0.000 1.342 225 H CB -0.099 29.750 29.762 0.144 0.000 1.389 225 H HN -0.001 8.517 8.280 0.415 0.011 0.511 226 W N -0.052 121.259 121.300 0.018 0.000 2.358 226 W HA -0.419 4.139 4.660 -0.170 0.000 0.303 226 W C 1.360 177.707 176.519 -0.288 0.000 1.208 226 W CA 5.490 62.752 57.345 -0.138 0.000 1.274 226 W CB 0.019 29.424 29.460 -0.091 0.000 1.138 226 W HN -0.400 8.079 8.180 0.498 0.000 0.515 227 H N -3.712 115.326 119.070 -0.054 0.000 2.415 227 H HA -0.149 4.212 4.556 -0.324 0.000 0.297 227 H C 1.394 176.307 175.328 -0.692 0.000 1.048 227 H CA 4.201 59.968 56.048 -0.469 0.000 1.365 227 H CB 0.673 30.001 29.762 -0.725 0.000 1.421 227 H HN -0.583 7.855 8.280 0.286 0.014 0.533 228 F N -4.565 115.418 119.950 0.055 0.000 2.767 228 F HA 0.189 4.850 4.527 0.224 0.000 0.323 228 F C 0.839 176.601 175.800 -0.064 0.000 1.091 228 F CA 0.358 58.376 58.000 0.031 0.000 1.192 228 F CB 1.152 40.075 39.000 -0.128 0.000 1.056 228 F HN -0.229 7.977 8.300 -0.156 0.000 0.571 229 G N 0.000 108.728 108.800 -0.120 0.000 5.446 229 G HA2 0.000 nan 3.960 nan 0.000 0.244 229 G HA3 0.000 3.602 3.960 -0.762 -0.099 0.244 229 G CA 0.000 44.925 45.100 -0.291 0.000 0.502 229 G HN 0.000 8.051 8.290 -0.227 0.102 0.925