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 1v9w_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSEGAATMAT FEEVSVLGFE EFDKAVKEHE SKTIFAYFSG SKDTEGKSWC DATA SEQUENCE PDCVEAEPVI REGLKHVTED CVFIYCQVGD KPYWKDPNND FRQKLKITAV DATA SEQUENCE PTLLKYGTPQ KLVESECCQS SLVEMIFSED 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.953 3.960 -0.012 0.000 0.244 1 G C 0.000 174.893 174.900 -0.011 0.000 0.946 1 G CA 0.000 45.093 45.100 -0.011 0.000 0.502 2 S N 2.976 118.669 115.700 -0.011 0.000 2.416 2 S HA 0.368 4.832 4.470 -0.011 0.000 0.302 2 S C -0.430 174.163 174.600 -0.012 0.000 1.120 2 S CA 0.039 58.232 58.200 -0.011 0.000 1.067 2 S CB 0.456 63.651 63.200 -0.010 0.000 1.057 2 S HN 0.035 8.339 8.310 -0.010 0.000 0.518 3 E N 6.799 126.991 120.200 -0.012 0.000 2.281 3 E HA 0.157 4.499 4.350 -0.014 0.000 0.257 3 E C -0.615 175.977 176.600 -0.013 0.000 0.971 3 E CA -1.035 55.357 56.400 -0.013 0.000 0.839 3 E CB 0.750 30.442 29.700 -0.014 0.000 1.238 3 E HN 0.236 8.589 8.360 -0.012 0.000 0.412 4 G N -1.019 107.773 108.800 -0.014 0.000 2.753 4 G HA2 0.207 4.160 3.960 -0.012 0.000 0.295 4 G HA3 0.207 4.159 3.960 -0.013 0.000 0.295 4 G C -1.246 173.646 174.900 -0.014 0.000 1.437 4 G CA 0.401 45.493 45.100 -0.013 0.000 1.094 4 G HN 0.040 8.321 8.290 -0.015 0.000 0.540 5 A N 3.214 126.027 122.820 -0.012 0.000 2.646 5 A HA 0.202 4.515 4.320 -0.013 0.000 0.312 5 A C -0.231 177.348 177.584 -0.008 0.000 1.245 5 A CA -0.030 52.001 52.037 -0.011 0.000 0.755 5 A CB 0.787 19.781 19.000 -0.010 0.000 1.132 5 A HN 0.227 8.370 8.150 -0.011 0.000 0.458 6 A N 3.696 126.511 122.820 -0.009 0.000 2.915 6 A HA 0.063 4.380 4.320 -0.005 0.000 0.292 6 A C -0.291 177.292 177.584 -0.003 0.000 1.632 6 A CA -0.130 51.903 52.037 -0.006 0.000 1.337 6 A CB -1.216 17.781 19.000 -0.006 0.000 1.111 6 A HN 0.369 8.512 8.150 -0.011 0.000 0.569 7 T N 0.950 115.504 114.554 -0.000 0.000 4.131 7 T HA -0.404 3.949 4.350 0.005 0.000 0.347 7 T C -1.114 173.589 174.700 0.005 0.000 0.755 7 T CA 0.452 62.554 62.100 0.004 0.000 1.936 7 T CB -0.910 67.962 68.868 0.006 0.000 1.861 7 T HN 0.028 8.240 8.240 -0.001 0.027 0.863 8 M N 0.343 119.944 119.600 0.002 0.000 2.235 8 M HA 0.003 4.483 4.480 0.001 0.000 0.351 8 M C 0.515 176.823 176.300 0.013 0.000 1.178 8 M CA -0.878 54.424 55.300 0.002 0.000 1.143 8 M CB 0.068 32.665 32.600 -0.006 0.000 1.530 8 M HN -0.577 7.712 8.290 -0.001 0.000 0.461 9 A N 6.834 129.667 122.820 0.021 0.000 2.339 9 A HA -0.064 4.278 4.320 0.038 0.000 0.272 9 A C -1.164 176.450 177.584 0.051 0.000 1.182 9 A CA 1.068 53.127 52.037 0.038 0.000 0.819 9 A CB 0.393 19.419 19.000 0.042 0.000 1.115 9 A HN 0.442 8.600 8.150 0.014 0.000 0.512 10 T N -5.445 109.151 114.554 0.070 0.000 2.982 10 T HA 0.170 4.586 4.350 0.109 0.000 0.321 10 T C -1.561 173.213 174.700 0.124 0.000 1.229 10 T CA -0.714 61.430 62.100 0.072 0.000 1.044 10 T CB 2.243 71.107 68.868 -0.007 0.000 1.184 10 T HN -0.165 8.118 8.240 0.071 0.000 0.477 11 F N -0.476 119.426 119.950 -0.079 0.000 2.577 11 F HA 0.900 5.584 4.527 -0.058 -0.191 0.318 11 F C -1.513 174.250 175.800 -0.062 0.000 1.065 11 F CA -2.406 55.542 58.000 -0.087 0.000 0.929 11 F CB 3.736 42.631 39.000 -0.174 0.000 1.237 11 F HN -0.114 8.165 8.300 -0.035 0.000 0.468 12 E N 1.733 121.896 120.200 -0.061 0.000 2.218 12 E HA 0.151 4.300 4.350 -0.334 0.000 0.263 12 E C -1.688 174.942 176.600 0.051 0.000 0.879 12 E CA -1.577 54.729 56.400 -0.156 0.000 0.762 12 E CB 3.149 32.735 29.700 -0.190 0.000 1.166 12 E HN 0.022 8.461 8.360 0.131 0.000 0.415 13 E N 5.670 125.906 120.200 0.059 0.000 2.167 13 E HA 0.062 4.663 4.350 0.419 0.000 0.284 13 E C -1.714 174.964 176.600 0.130 0.000 1.016 13 E CA -0.908 55.627 56.400 0.225 0.000 0.817 13 E CB 0.614 30.449 29.700 0.225 0.000 1.080 13 E HN 0.262 8.570 8.360 -0.088 0.000 0.397 14 V N 7.290 127.293 119.914 0.149 0.000 2.482 14 V HA 0.161 4.337 4.120 0.094 0.000 0.295 14 V C -1.423 174.741 176.094 0.116 0.000 1.026 14 V CA -1.527 60.837 62.300 0.106 0.000 0.856 14 V CB 2.576 34.464 31.823 0.108 0.000 1.001 14 V HN -0.165 8.146 8.190 0.201 0.000 0.424 15 S N 6.409 122.174 115.700 0.109 0.000 2.489 15 S HA 0.068 4.649 4.470 0.184 0.000 0.277 15 S C -0.635 174.035 174.600 0.117 0.000 1.230 15 S CA -0.482 57.791 58.200 0.121 0.000 1.053 15 S CB 0.244 63.480 63.200 0.060 0.000 0.955 15 S HN 0.192 8.555 8.310 0.088 0.000 0.488 16 V N 2.276 122.277 119.914 0.144 0.000 3.182 16 V HA 0.370 4.559 4.120 0.115 0.000 0.308 16 V C -2.533 173.648 176.094 0.145 0.000 1.240 16 V CA -1.902 60.477 62.300 0.132 0.000 1.063 16 V CB 4.028 35.936 31.823 0.142 0.000 1.076 16 V HN 0.278 8.581 8.190 0.188 0.000 0.446 17 L N 0.657 121.967 121.223 0.145 0.000 2.528 17 L HA 0.340 4.770 4.340 0.150 0.000 0.267 17 L C -1.144 175.841 176.870 0.191 0.000 0.961 17 L CA -0.333 54.597 54.840 0.150 0.000 0.866 17 L CB 2.712 44.839 42.059 0.113 0.000 1.248 17 L HN 0.100 8.414 8.230 0.140 0.000 0.404 18 G N 4.988 113.954 108.800 0.277 0.000 2.655 18 G HA2 -0.239 4.000 3.960 0.466 0.000 0.680 18 G HA3 -0.239 3.882 3.960 0.269 0.000 0.680 18 G C -0.828 174.323 174.900 0.417 0.000 1.302 18 G CA -0.288 45.030 45.100 0.363 0.000 0.872 18 G HN -0.639 7.822 8.290 0.285 0.000 0.540 19 F N 0.831 120.895 119.950 0.191 0.000 2.270 19 F HA -0.081 4.657 4.527 0.351 0.000 0.295 19 F C 1.068 176.969 175.800 0.168 0.000 1.087 19 F CA 2.397 60.495 58.000 0.162 0.000 1.365 19 F CB 0.618 39.565 39.000 -0.088 0.000 1.056 19 F HN 0.226 8.760 8.300 0.389 0.000 0.506 20 E N -1.480 118.948 120.200 0.380 0.000 2.013 20 E HA -0.376 4.136 4.350 0.270 0.000 0.202 20 E C 2.767 179.451 176.600 0.139 0.000 1.018 20 E CA 3.827 60.369 56.400 0.236 0.000 0.834 20 E CB -0.905 28.889 29.700 0.156 0.000 0.770 20 E HN 0.384 8.950 8.360 0.344 0.000 0.459 21 E N -1.394 118.889 120.200 0.139 0.000 2.070 21 E HA -0.314 4.073 4.350 0.063 0.000 0.197 21 E C 2.234 178.888 176.600 0.089 0.000 1.004 21 E CA 2.476 58.937 56.400 0.102 0.000 0.805 21 E CB -0.492 29.280 29.700 0.120 0.000 0.744 21 E HN 0.110 8.568 8.360 0.163 0.000 0.451 22 F N 0.275 120.209 119.950 -0.027 0.000 2.087 22 F HA -0.429 4.049 4.527 -0.082 0.000 0.299 22 F C 1.746 177.437 175.800 -0.182 0.000 1.100 22 F CA 2.387 60.320 58.000 -0.111 0.000 1.226 22 F CB -0.224 38.690 39.000 -0.143 0.000 0.983 22 F HN -0.780 7.690 8.300 0.283 0.000 0.479 23 D N -0.983 119.081 120.400 -0.559 0.000 2.097 23 D HA -0.382 3.652 4.640 -1.011 0.000 0.195 23 D C 1.994 178.083 176.300 -0.352 0.000 0.989 23 D CA 3.778 57.421 54.000 -0.595 0.000 0.827 23 D CB -0.015 40.663 40.800 -0.205 0.000 0.966 23 D HN -0.042 8.098 8.370 -0.245 0.083 0.456 24 K N -0.518 119.774 120.400 -0.180 0.000 2.001 24 K HA -0.414 3.834 4.320 -0.120 0.000 0.214 24 K C 2.173 178.670 176.600 -0.173 0.000 1.050 24 K CA 3.417 59.627 56.287 -0.129 0.000 0.934 24 K CB 0.051 32.516 32.500 -0.059 0.000 0.718 24 K HN -0.491 7.620 8.250 -0.118 0.068 0.443 25 A N -1.655 121.085 122.820 -0.133 0.000 1.940 25 A HA -0.308 3.918 4.320 -0.157 0.000 0.219 25 A C 2.258 179.748 177.584 -0.157 0.000 1.176 25 A CA 3.096 55.073 52.037 -0.099 0.000 0.631 25 A CB -0.731 18.313 19.000 0.072 0.000 0.814 25 A HN -0.233 7.864 8.150 -0.088 0.000 0.446 26 V N -1.180 118.570 119.914 -0.273 0.000 2.223 26 V HA -0.645 3.353 4.120 -0.203 0.000 0.244 26 V C 2.574 178.521 176.094 -0.246 0.000 1.045 26 V CA 4.642 66.729 62.300 -0.355 0.000 1.000 26 V CB -0.436 30.899 31.823 -0.813 0.000 0.635 26 V HN -0.218 7.657 8.190 -0.366 0.095 0.445 27 K N -0.822 119.432 120.400 -0.243 0.000 2.160 27 K HA -0.353 3.920 4.320 -0.079 0.000 0.206 27 K C 3.070 179.580 176.600 -0.150 0.000 1.047 27 K CA 3.445 59.648 56.287 -0.140 0.000 0.930 27 K CB -0.446 31.984 32.500 -0.117 0.000 0.720 27 K HN 0.161 8.232 8.250 -0.298 0.000 0.450 28 E N -2.845 117.196 120.200 -0.265 0.000 2.106 28 E HA -0.217 3.995 4.350 -0.230 0.000 0.192 28 E C 0.832 177.200 176.600 -0.387 0.000 0.984 28 E CA 2.409 58.584 56.400 -0.375 0.000 0.806 28 E CB 0.374 29.729 29.700 -0.574 0.000 0.750 28 E HN -0.482 7.594 8.360 -0.289 0.110 0.458 29 H N -3.613 115.442 119.070 -0.025 0.000 2.488 29 H HA 0.340 4.903 4.556 0.011 0.000 0.294 29 H C 0.187 175.528 175.328 0.023 0.000 1.088 29 H CA -1.476 54.574 56.048 0.003 0.000 1.086 29 H CB -0.885 28.883 29.762 0.010 0.000 1.569 29 H HN -0.407 7.566 8.280 -0.331 0.109 0.548 30 E N -0.863 119.381 120.200 0.074 0.000 2.204 30 E HA -0.235 4.218 4.350 0.172 0.000 0.194 30 E C 0.316 176.976 176.600 0.100 0.000 0.989 30 E CA 2.354 58.819 56.400 0.108 0.000 0.824 30 E CB -0.411 29.334 29.700 0.076 0.000 0.756 30 E HN -0.741 7.439 8.360 -0.000 0.180 0.477 31 S N -0.587 115.160 115.700 0.079 0.000 2.383 31 S HA -0.162 4.340 4.470 0.053 0.000 0.227 31 S C 0.297 174.943 174.600 0.076 0.000 1.026 31 S CA 1.587 59.826 58.200 0.066 0.000 0.981 31 S CB 0.198 63.430 63.200 0.054 0.000 0.818 31 S HN 0.300 8.621 8.310 0.071 0.032 0.472 32 K N -0.205 120.255 120.400 0.101 0.000 2.258 32 K HA 0.186 4.554 4.320 0.079 0.000 0.236 32 K C -0.878 175.786 176.600 0.107 0.000 1.008 32 K CA -1.192 55.153 56.287 0.096 0.000 0.869 32 K CB 1.822 34.379 32.500 0.094 0.000 1.171 32 K HN -0.926 7.306 8.250 0.124 0.093 0.447 33 T N 1.377 115.986 114.554 0.092 0.000 2.934 33 T HA -0.172 4.205 4.350 0.045 0.000 0.306 33 T C -0.293 174.452 174.700 0.075 0.000 1.042 33 T CA 2.719 64.857 62.100 0.064 0.000 1.145 33 T CB 0.189 69.100 68.868 0.072 0.000 0.982 33 T HN -0.041 8.254 8.240 0.091 0.000 0.544 34 I N 4.065 124.648 120.570 0.022 0.000 2.569 34 I HA 0.101 4.485 4.170 0.117 -0.144 0.296 34 I C -1.825 174.241 176.117 -0.086 0.000 1.028 34 I CA -0.837 60.496 61.300 0.056 0.000 1.082 34 I CB 3.357 41.406 38.000 0.081 0.000 1.264 34 I HN 0.060 8.270 8.210 -0.000 0.000 0.429 35 F N 4.925 124.975 119.950 0.167 0.000 2.577 35 F HA 0.403 5.185 4.527 0.195 -0.139 0.344 35 F C -1.776 173.966 175.800 -0.097 0.000 1.145 35 F CA -1.675 56.429 58.000 0.173 0.000 0.996 35 F CB 3.540 42.790 39.000 0.417 0.000 1.248 35 F HN 0.392 8.759 8.300 0.269 0.095 0.447 36 A N 4.962 127.757 122.820 -0.041 0.000 2.260 36 A HA 0.346 4.487 4.320 -0.573 -0.165 0.308 36 A C -2.407 174.744 177.584 -0.720 0.000 1.254 36 A CA -1.696 49.996 52.037 -0.574 0.000 0.874 36 A CB 1.906 20.356 19.000 -0.917 0.000 1.153 36 A HN 0.421 8.611 8.150 0.065 0.000 0.527 37 Y N 7.356 127.085 120.300 -0.952 0.000 2.931 37 Y HA 0.300 4.696 4.550 -0.462 -0.123 0.330 37 Y C -1.916 173.499 175.900 -0.809 0.000 1.115 37 Y CA -3.428 54.260 58.100 -0.686 0.000 1.283 37 Y CB 0.214 38.441 38.460 -0.389 0.000 1.215 37 Y HN 0.431 8.214 8.280 -0.828 0.000 0.534 38 F N 7.933 127.488 119.950 -0.660 0.000 2.494 38 F HA 0.213 4.523 4.527 -0.740 -0.227 0.369 38 F C -0.361 174.833 175.800 -1.010 0.000 1.098 38 F CA 0.133 57.669 58.000 -0.774 0.000 1.154 38 F CB -0.915 37.716 39.000 -0.615 0.000 1.103 38 F HN -0.424 7.290 8.300 -0.977 0.000 0.549 39 S N 2.300 117.481 115.700 -0.866 0.000 2.618 39 S HA 0.435 4.405 4.470 -0.835 0.000 0.277 39 S C -0.367 173.918 174.600 -0.524 0.000 1.138 39 S CA -1.434 56.261 58.200 -0.841 0.000 0.844 39 S CB 3.576 66.161 63.200 -1.025 0.000 1.127 39 S HN 0.494 8.339 8.310 -0.774 0.000 0.474 40 G N -0.602 107.912 108.800 -0.476 0.000 2.630 40 G HA2 -0.225 3.902 3.960 0.279 0.000 0.236 40 G HA3 -0.225 3.524 3.960 -0.353 0.000 0.236 40 G C -1.171 173.731 174.900 0.003 0.000 1.248 40 G CA 0.188 45.247 45.100 -0.068 0.000 0.844 40 G HN 0.193 8.056 8.290 -0.712 0.000 0.588 41 S N -0.085 115.766 115.700 0.251 0.000 2.579 41 S HA -0.135 4.550 4.470 0.158 -0.121 0.275 41 S C 0.403 175.101 174.600 0.164 0.000 1.345 41 S CA 0.464 58.775 58.200 0.185 0.000 1.031 41 S CB 1.043 64.344 63.200 0.169 0.000 0.892 41 S HN 0.007 8.599 8.310 0.470 0.000 0.529 42 K N 6.086 126.563 120.400 0.128 0.000 2.144 42 K HA -0.003 4.436 4.320 0.067 -0.078 0.270 42 K C -0.103 176.548 176.600 0.085 0.000 1.005 42 K CA 0.225 56.561 56.287 0.082 0.000 0.932 42 K CB 0.985 33.505 32.500 0.034 0.000 1.021 42 K HN -0.347 8.216 8.250 0.136 -0.232 0.462 43 D N 2.706 123.153 120.400 0.077 0.000 2.478 43 D HA 0.149 4.840 4.640 0.085 0.000 0.274 43 D C 1.214 177.541 176.300 0.045 0.000 1.234 43 D CA -0.339 53.705 54.000 0.074 0.000 1.069 43 D CB 1.134 41.982 40.800 0.081 0.000 1.113 43 D HN 0.379 8.740 8.370 0.066 0.049 0.571 44 T N -4.149 110.429 114.554 0.040 0.000 2.759 44 T HA -0.323 4.041 4.350 0.025 0.000 0.269 44 T C 1.009 175.721 174.700 0.019 0.000 1.042 44 T CA 3.015 65.131 62.100 0.027 0.000 1.140 44 T CB 0.064 68.947 68.868 0.026 0.000 0.864 44 T HN 0.066 8.334 8.240 0.047 0.000 0.455 45 E N 0.457 120.670 120.200 0.021 0.000 2.274 45 E HA -0.094 4.261 4.350 0.009 0.000 0.194 45 E C 0.241 176.843 176.600 0.004 0.000 0.996 45 E CA -0.389 56.019 56.400 0.012 0.000 0.840 45 E CB -0.248 29.461 29.700 0.016 0.000 0.772 45 E HN -0.051 8.314 8.360 0.028 0.012 0.491 46 G N -1.757 107.047 108.800 0.006 0.000 2.215 46 G HA2 -0.271 3.735 3.960 -0.011 0.000 0.198 46 G HA3 -0.271 3.676 3.960 -0.021 0.000 0.198 46 G C -1.676 173.218 174.900 -0.010 0.000 1.047 46 G CA -0.020 45.074 45.100 -0.010 0.000 0.747 46 G HN -0.485 7.642 8.290 0.018 0.173 0.495 47 K N -1.719 118.686 120.400 0.008 0.000 2.385 47 K HA 0.403 4.718 4.320 -0.008 0.000 0.248 47 K C -1.108 175.492 176.600 0.001 0.000 0.955 47 K CA -2.009 54.279 56.287 0.002 0.000 0.816 47 K CB 3.054 35.558 32.500 0.007 0.000 1.250 47 K HN -0.422 7.891 8.250 0.022 -0.049 0.434 48 S N 1.901 117.562 115.700 -0.065 0.000 2.499 48 S HA 0.352 4.934 4.470 -0.134 -0.192 0.279 48 S C 0.780 175.229 174.600 -0.252 0.000 1.219 48 S CA -0.906 57.160 58.200 -0.223 0.000 1.062 48 S CB 0.781 63.751 63.200 -0.383 0.000 0.978 48 S HN 0.520 8.793 8.310 -0.062 0.000 0.489 49 W N 2.481 123.800 121.300 0.032 0.000 2.276 49 W HA -0.348 4.331 4.660 0.032 0.000 0.307 49 W C -0.089 176.448 176.519 0.030 0.000 1.240 49 W CA 1.719 59.083 57.345 0.033 0.000 1.249 49 W CB -0.773 28.711 29.460 0.040 0.000 1.140 49 W HN -0.139 8.059 8.180 0.029 0.000 0.519 50 C N 1.154 120.168 119.300 -0.476 0.000 2.585 50 C HA 0.165 4.659 4.460 0.056 0.000 0.406 50 C C -0.087 174.789 174.990 -0.190 0.000 1.312 50 C CA -2.982 55.836 59.018 -0.333 0.000 1.924 50 C CB 2.127 29.378 27.740 -0.816 0.000 2.578 50 C HN -0.447 6.888 8.230 -1.463 0.017 0.580 51 P HA -0.072 4.331 4.420 -0.028 0.000 0.230 51 P C -0.135 177.136 177.300 -0.048 0.000 1.158 51 P CA 1.519 64.601 63.100 -0.030 0.000 0.769 51 P CB 0.255 31.961 31.700 0.011 0.000 0.807 52 D N -0.595 119.759 120.400 -0.076 0.000 2.154 52 D HA -0.137 4.484 4.640 -0.032 0.000 0.211 52 D C 1.289 177.556 176.300 -0.055 0.000 0.977 52 D CA 3.370 57.335 54.000 -0.058 0.000 0.869 52 D CB -0.044 40.720 40.800 -0.059 0.000 1.022 52 D HN -0.555 7.688 8.370 -0.104 0.064 0.461 53 C N -1.487 117.742 119.300 -0.119 0.000 2.398 53 C HA -0.242 4.285 4.460 0.111 0.000 0.279 53 C C 2.167 177.174 174.990 0.028 0.000 1.250 53 C CA 3.788 62.783 59.018 -0.039 0.000 1.786 53 C CB -0.454 27.147 27.740 -0.231 0.000 2.018 53 C HN 0.015 8.113 8.230 -0.219 0.000 0.494 54 V N -1.464 118.427 119.914 -0.038 0.000 2.591 54 V HA -0.244 3.880 4.120 0.006 0.000 0.249 54 V C 1.470 177.557 176.094 -0.012 0.000 1.053 54 V CA 3.576 65.866 62.300 -0.017 0.000 1.068 54 V CB -0.437 31.366 31.823 -0.034 0.000 0.689 54 V HN -0.614 7.492 8.190 -0.089 0.031 0.462 55 E N -0.568 119.622 120.200 -0.017 0.000 2.447 55 E HA 0.011 4.346 4.350 -0.025 0.000 0.195 55 E C 0.666 177.249 176.600 -0.027 0.000 1.028 55 E CA 0.763 57.150 56.400 -0.022 0.000 0.876 55 E CB 0.179 29.866 29.700 -0.021 0.000 0.885 55 E HN -0.016 8.203 8.360 -0.023 0.127 0.500 56 A N -1.809 121.006 122.820 -0.009 0.000 2.063 56 A HA 0.129 4.417 4.320 -0.052 0.000 0.211 56 A C 0.667 178.200 177.584 -0.086 0.000 1.177 56 A CA 1.332 53.354 52.037 -0.025 0.000 0.759 56 A CB 0.463 19.493 19.000 0.049 0.000 0.857 56 A HN 0.266 8.182 8.150 0.012 0.241 0.468 57 E N 0.281 120.465 120.200 -0.026 0.000 2.048 57 E HA -0.237 4.048 4.350 -0.109 0.000 0.202 57 E C -1.183 175.326 176.600 -0.152 0.000 1.021 57 E CA 4.405 60.771 56.400 -0.056 0.000 0.825 57 E CB -2.385 27.344 29.700 0.047 0.000 0.756 57 E HN -0.168 8.212 8.360 0.033 0.000 0.454 58 P HA -0.048 4.285 4.420 -0.145 0.000 0.223 58 P C 1.485 178.692 177.300 -0.155 0.000 1.151 58 P CA 2.406 65.428 63.100 -0.129 0.000 0.787 58 P CB -0.644 31.004 31.700 -0.086 0.000 0.788 59 V N -2.825 116.999 119.914 -0.149 0.000 2.719 59 V HA -0.260 3.777 4.120 -0.138 0.000 0.252 59 V C 1.649 177.624 176.094 -0.199 0.000 1.065 59 V CA 3.025 65.234 62.300 -0.152 0.000 1.086 59 V CB -0.619 31.133 31.823 -0.118 0.000 0.700 59 V HN -0.529 7.431 8.190 -0.130 0.152 0.467 60 I N -0.384 120.023 120.570 -0.270 0.000 2.731 60 I HA -0.372 3.669 4.170 -0.214 0.000 0.260 60 I C 1.557 177.401 176.117 -0.456 0.000 1.138 60 I CA 3.153 64.252 61.300 -0.336 0.000 1.461 60 I CB -0.259 37.434 38.000 -0.512 0.000 1.128 60 I HN 0.445 8.366 8.210 -0.277 0.122 0.438 61 R N -0.508 119.689 120.500 -0.505 0.000 2.081 61 R HA -0.307 3.539 4.340 -0.823 0.000 0.235 61 R C 2.595 178.586 176.300 -0.517 0.000 1.131 61 R CA 3.332 59.083 56.100 -0.581 0.000 0.960 61 R CB -0.464 29.598 30.300 -0.396 0.000 0.856 61 R HN 0.132 8.153 8.270 -0.416 0.000 0.436 62 E N -1.869 118.131 120.200 -0.333 0.000 2.047 62 E HA -0.212 3.986 4.350 -0.254 0.000 0.191 62 E C 2.721 179.207 176.600 -0.189 0.000 0.987 62 E CA 2.195 58.454 56.400 -0.236 0.000 0.799 62 E CB -0.253 29.364 29.700 -0.138 0.000 0.752 62 E HN -0.614 7.576 8.360 -0.284 0.000 0.449 63 G N -0.203 108.479 108.800 -0.197 0.000 2.442 63 G HA2 -0.261 3.552 3.960 -0.246 0.000 0.219 63 G HA3 -0.261 3.668 3.960 -0.052 0.000 0.219 63 G C 1.256 176.056 174.900 -0.166 0.000 1.141 63 G CA 1.655 46.682 45.100 -0.122 0.000 0.763 63 G HN -0.641 7.520 8.290 -0.215 0.000 0.554 64 L N -0.135 120.707 121.223 -0.634 0.000 2.197 64 L HA -0.362 2.376 4.340 -2.671 0.000 0.215 64 L C 2.064 178.418 176.870 -0.861 0.000 1.095 64 L CA 2.323 56.337 54.840 -1.376 0.000 0.764 64 L CB -0.377 40.880 42.059 -1.337 0.000 0.897 64 L HN -0.295 7.611 8.230 -0.525 0.009 0.436 65 K N -3.513 116.526 120.400 -0.601 0.000 2.097 65 K HA -0.285 3.778 4.320 -0.430 0.000 0.205 65 K C 1.217 177.713 176.600 -0.175 0.000 1.050 65 K CA 2.342 58.398 56.287 -0.385 0.000 0.938 65 K CB 0.017 32.333 32.500 -0.307 0.000 0.718 65 K HN -0.651 7.126 8.250 -0.534 0.154 0.442 66 H N -3.407 115.546 119.070 -0.195 0.000 2.489 66 H HA -0.180 4.336 4.556 -0.066 0.000 0.293 66 H C 0.983 176.289 175.328 -0.037 0.000 1.066 66 H CA 0.937 56.938 56.048 -0.078 0.000 1.305 66 H CB 0.382 30.128 29.762 -0.027 0.000 1.386 66 H HN -0.276 8.027 8.280 0.226 0.113 0.551 67 V N -0.508 119.425 119.914 0.032 0.000 2.843 67 V HA -0.337 3.925 4.120 0.198 -0.024 0.305 67 V C -0.240 175.892 176.094 0.062 0.000 1.120 67 V CA 1.472 63.809 62.300 0.061 0.000 1.254 67 V CB 0.603 32.363 31.823 -0.105 0.000 0.901 67 V HN -0.870 7.099 8.190 -0.108 0.156 0.503 68 T N 5.524 120.139 114.554 0.101 0.000 3.145 68 T HA 0.099 4.480 4.350 0.051 0.000 0.255 68 T C -1.083 173.665 174.700 0.080 0.000 1.039 68 T CA -0.532 61.612 62.100 0.075 0.000 0.928 68 T CB -0.282 68.630 68.868 0.072 0.000 1.029 68 T HN 0.071 8.397 8.240 0.142 0.000 0.554 69 E N -0.699 119.563 120.200 0.103 0.000 2.367 69 E HA 0.163 4.562 4.350 0.082 0.000 0.273 69 E C -2.067 174.599 176.600 0.110 0.000 0.903 69 E CA -1.868 54.596 56.400 0.106 0.000 0.764 69 E CB 3.050 32.829 29.700 0.132 0.000 1.252 69 E HN -0.745 7.608 8.360 0.116 0.076 0.446 70 D N 0.673 121.128 120.400 0.092 0.000 2.367 70 D HA 0.231 5.176 4.640 0.082 -0.255 0.255 70 D C -0.419 175.950 176.300 0.115 0.000 1.300 70 D CA -0.349 53.703 54.000 0.086 0.000 0.959 70 D CB -1.559 39.275 40.800 0.058 0.000 1.064 70 D HN -0.062 8.356 8.370 0.079 0.000 0.509 71 C N 1.671 121.064 119.300 0.156 0.000 2.423 71 C HA 0.405 5.115 4.460 0.188 -0.137 0.378 71 C C -1.049 174.045 174.990 0.173 0.000 1.244 71 C CA -1.379 57.773 59.018 0.224 0.000 1.978 71 C CB 4.272 32.276 27.740 0.439 0.000 2.252 71 C HN -0.106 8.212 8.230 0.147 0.000 0.526 72 V N -0.225 119.802 119.914 0.189 0.000 2.385 72 V HA 0.206 4.420 4.120 0.018 -0.083 0.277 72 V C -1.209 175.005 176.094 0.200 0.000 1.012 72 V CA -1.485 60.847 62.300 0.053 0.000 0.832 72 V CB 0.271 31.953 31.823 -0.235 0.000 1.028 72 V HN 0.467 8.722 8.190 0.251 0.085 0.436 73 F N 9.266 129.292 119.950 0.126 0.000 2.553 73 F HA 0.146 4.976 4.527 0.268 -0.142 0.356 73 F C -0.972 174.903 175.800 0.125 0.000 1.142 73 F CA 0.491 58.590 58.000 0.165 0.000 1.322 73 F CB 1.634 40.708 39.000 0.123 0.000 1.126 73 F HN 0.022 8.554 8.300 0.387 0.000 0.599 74 I N 4.805 124.976 120.570 -0.666 0.000 2.531 74 I HA 0.158 4.434 4.170 -0.165 -0.206 0.283 74 I C -2.047 173.699 176.117 -0.619 0.000 1.083 74 I CA -0.851 60.206 61.300 -0.403 0.000 1.071 74 I CB 2.564 40.494 38.000 -0.116 0.000 1.210 74 I HN 0.885 8.354 8.210 -1.234 0.000 0.450 75 Y N 8.929 128.964 120.300 -0.441 0.000 2.573 75 Y HA 0.067 4.444 4.550 -0.288 0.000 0.346 75 Y C -1.480 174.316 175.900 -0.172 0.000 1.198 75 Y CA -0.248 57.712 58.100 -0.233 0.000 1.627 75 Y CB -0.560 37.920 38.460 0.033 0.000 1.457 75 Y HN 0.558 8.823 8.280 -0.025 0.000 0.483 76 C N 8.036 127.080 119.300 -0.428 0.000 2.394 76 C HA 0.090 4.634 4.460 -0.067 -0.125 0.362 76 C C -1.319 173.494 174.990 -0.296 0.000 1.268 76 C CA -1.643 57.209 59.018 -0.277 0.000 1.828 76 C CB 1.477 28.967 27.740 -0.417 0.000 2.442 76 C HN 0.147 7.987 8.230 -0.649 0.000 0.549 77 Q N 8.974 128.729 119.800 -0.074 0.000 2.349 77 Q HA 0.583 5.042 4.340 -0.214 -0.247 0.254 77 Q C 1.531 177.487 176.000 -0.074 0.000 0.980 77 Q CA -1.258 54.500 55.803 -0.075 0.000 0.924 77 Q CB 0.525 29.313 28.738 0.082 0.000 1.209 77 Q HN -0.064 8.233 8.270 0.045 0.000 0.445 78 V N 0.541 120.300 119.914 -0.257 0.000 2.332 78 V HA -0.388 3.247 4.120 -0.809 0.000 0.248 78 V C -0.213 175.883 176.094 0.004 0.000 1.055 78 V CA 2.407 64.487 62.300 -0.366 0.000 1.038 78 V CB 0.221 31.781 31.823 -0.439 0.000 0.651 78 V HN 0.141 8.030 8.190 -0.329 0.103 0.450 79 G N -4.829 103.983 108.800 0.019 0.000 2.480 79 G HA2 -0.161 3.707 3.960 -0.152 0.000 0.109 79 G HA3 -0.161 3.447 3.960 -0.586 0.000 0.109 79 G C -2.791 172.159 174.900 0.084 0.000 1.172 79 G CA -0.507 44.509 45.100 -0.139 0.000 1.091 79 G HN -0.582 7.747 8.290 0.065 0.000 0.464 80 D N 2.101 122.525 120.400 0.041 0.000 2.388 80 D HA 0.193 4.880 4.640 0.079 0.000 0.254 80 D C 0.733 176.931 176.300 -0.171 0.000 1.111 80 D CA -1.498 52.519 54.000 0.028 0.000 0.993 80 D CB 2.103 42.901 40.800 -0.004 0.000 1.118 80 D HN -0.146 8.165 8.370 -0.098 0.000 0.502 81 K N 1.239 121.171 120.400 -0.782 0.000 1.991 81 K HA -0.246 2.327 4.320 -2.912 0.000 0.212 81 K C -0.717 175.505 176.600 -0.629 0.000 1.049 81 K CA 5.044 60.405 56.287 -1.543 0.000 0.932 81 K CB -1.204 30.498 32.500 -1.330 0.000 0.717 81 K HN 0.537 8.425 8.250 -0.603 0.000 0.441 82 P HA -0.117 4.198 4.420 -0.176 0.000 0.234 82 P C -0.008 177.262 177.300 -0.049 0.000 1.167 82 P CA 1.523 64.530 63.100 -0.155 0.000 0.763 82 P CB -0.406 31.233 31.700 -0.102 0.000 0.835 83 Y N -1.174 119.065 120.300 -0.100 0.000 2.397 83 Y HA -0.112 4.701 4.550 -0.011 -0.269 0.292 83 Y C 1.423 177.373 175.900 0.084 0.000 1.115 83 Y CA 1.399 59.502 58.100 0.004 0.000 1.208 83 Y CB 0.737 39.226 38.460 0.049 0.000 1.046 83 Y HN -0.962 7.144 8.280 0.065 0.212 0.552 84 W N 0.772 122.085 121.300 0.023 0.000 2.374 84 W HA -0.480 4.199 4.660 0.031 0.000 0.288 84 W C 0.218 176.679 176.519 -0.097 0.000 1.218 84 W CA 3.352 60.697 57.345 0.000 0.000 1.245 84 W CB 0.183 29.712 29.460 0.117 0.000 1.126 84 W HN -0.079 8.290 8.180 0.315 0.000 0.545 85 K N -3.775 116.402 120.400 -0.371 0.000 2.147 85 K HA -0.307 3.597 4.320 -0.692 0.000 0.205 85 K C 0.272 176.599 176.600 -0.454 0.000 1.049 85 K CA 1.913 57.908 56.287 -0.486 0.000 0.936 85 K CB -0.298 32.040 32.500 -0.269 0.000 0.722 85 K HN -0.807 7.325 8.250 -0.160 0.022 0.446 86 D N 0.279 120.447 120.400 -0.387 0.000 2.659 86 D HA 0.006 4.486 4.640 -0.265 0.000 0.264 86 D C -0.450 175.648 176.300 -0.337 0.000 1.329 86 D CA -0.756 53.037 54.000 -0.346 0.000 0.963 86 D CB -0.387 40.152 40.800 -0.435 0.000 1.136 86 D HN -0.661 7.375 8.370 -0.360 0.118 0.554 87 P HA -0.126 4.124 4.420 -0.282 0.000 0.230 87 P C -1.035 176.170 177.300 -0.157 0.000 1.158 87 P CA 0.921 63.884 63.100 -0.228 0.000 0.769 87 P CB 0.545 32.137 31.700 -0.180 0.000 0.807 88 N N -2.533 116.079 118.700 -0.147 0.000 2.327 88 N HA -0.010 4.679 4.740 -0.086 0.000 0.231 88 N C -0.924 174.532 175.510 -0.090 0.000 1.130 88 N CA -0.292 52.696 53.050 -0.103 0.000 0.845 88 N CB -0.682 37.751 38.487 -0.089 0.000 1.073 88 N HN -0.088 8.123 8.380 -0.173 0.065 0.496 89 N N 0.734 119.381 118.700 -0.088 0.000 2.524 89 N HA 0.028 4.758 4.740 -0.016 0.000 0.283 89 N C -0.058 175.469 175.510 0.029 0.000 1.142 89 N CA -0.834 52.215 53.050 -0.001 0.000 0.984 89 N CB 1.375 39.911 38.487 0.081 0.000 1.155 89 N HN -0.773 7.437 8.380 -0.118 0.099 0.467 90 D N 1.949 122.331 120.400 -0.030 0.000 2.311 90 D HA -0.228 4.326 4.640 -0.144 0.000 0.212 90 D C 1.270 177.499 176.300 -0.119 0.000 0.972 90 D CA 3.250 57.148 54.000 -0.169 0.000 0.887 90 D CB -0.142 40.439 40.800 -0.365 0.000 0.915 90 D HN 0.508 8.878 8.370 -0.000 0.000 0.497 91 F N -2.240 117.779 119.950 0.115 0.000 2.187 91 F HA -0.137 4.405 4.527 0.025 0.000 0.295 91 F C 1.501 177.323 175.800 0.035 0.000 1.091 91 F CA 3.797 61.832 58.000 0.058 0.000 1.308 91 F CB -0.200 38.856 39.000 0.094 0.000 1.030 91 F HN -0.113 8.265 8.300 0.227 0.059 0.487 92 R N -3.101 117.528 120.500 0.215 0.000 2.300 92 R HA -0.018 4.495 4.340 0.122 -0.099 0.199 92 R C 2.251 178.572 176.300 0.036 0.000 0.920 92 R CA 2.138 58.294 56.100 0.094 0.000 1.046 92 R CB -0.060 30.229 30.300 -0.017 0.000 0.984 92 R HN -0.483 7.833 8.270 0.226 0.090 0.493 93 Q N -0.664 119.150 119.800 0.023 0.000 2.287 93 Q HA 0.020 4.354 4.340 -0.010 0.000 0.201 93 Q C 0.913 176.914 176.000 0.002 0.000 0.946 93 Q CA 2.870 58.667 55.803 -0.009 0.000 0.868 93 Q CB 0.768 29.481 28.738 -0.041 0.000 0.967 93 Q HN 0.172 8.300 8.270 0.037 0.164 0.516 94 K N 0.053 120.456 120.400 0.005 0.000 2.172 94 K HA 0.022 4.359 4.320 0.027 0.000 0.203 94 K C 2.684 179.356 176.600 0.120 0.000 1.040 94 K CA 2.178 58.490 56.287 0.041 0.000 0.974 94 K CB 0.507 33.001 32.500 -0.010 0.000 0.857 94 K HN -0.089 8.025 8.250 -0.010 0.130 0.464 95 L N -2.332 118.979 121.223 0.146 0.000 2.395 95 L HA -0.153 4.304 4.340 0.194 0.000 0.218 95 L C -0.520 176.408 176.870 0.096 0.000 1.130 95 L CA 0.733 55.653 54.840 0.133 0.000 0.826 95 L CB 0.425 42.484 42.059 0.000 0.000 0.941 95 L HN -0.508 7.799 8.230 0.129 0.000 0.451 96 K N -6.208 114.246 120.400 0.089 0.000 3.278 96 K HA -0.411 4.061 4.320 0.071 -0.110 0.270 96 K C -0.801 175.860 176.600 0.101 0.000 0.955 96 K CA 0.489 56.825 56.287 0.082 0.000 0.723 96 K CB -3.021 29.522 32.500 0.071 0.000 1.382 96 K HN -0.100 8.151 8.250 0.086 0.051 0.461 97 I N -2.034 118.615 120.570 0.132 0.000 2.588 97 I HA -0.121 4.124 4.170 0.125 0.000 0.283 97 I C 1.153 177.412 176.117 0.237 0.000 1.119 97 I CA -0.139 61.267 61.300 0.177 0.000 1.419 97 I CB -0.414 37.717 38.000 0.218 0.000 1.394 97 I HN 0.032 8.207 8.210 0.149 0.125 0.562 98 T N 5.477 120.153 114.554 0.204 0.000 2.739 98 T HA -0.063 4.372 4.350 0.143 0.000 0.249 98 T C -1.239 173.634 174.700 0.288 0.000 1.050 98 T CA 2.557 64.768 62.100 0.184 0.000 1.165 98 T CB 0.841 69.785 68.868 0.128 0.000 0.872 98 T HN -0.007 8.336 8.240 0.172 0.000 0.411 99 A N -0.863 122.122 122.820 0.276 0.000 2.437 99 A HA 0.357 5.072 4.320 0.659 0.000 0.293 99 A C -2.208 175.436 177.584 0.101 0.000 1.038 99 A CA -0.500 51.739 52.037 0.336 0.000 0.708 99 A CB 1.941 21.073 19.000 0.222 0.000 1.251 99 A HN -0.487 7.777 8.150 0.190 0.000 0.409 100 V N -0.366 119.473 119.914 -0.126 0.000 2.732 100 V HA 0.295 4.289 4.120 -0.398 -0.113 0.297 100 V C -1.447 174.467 176.094 -0.300 0.000 1.060 100 V CA -3.998 58.010 62.300 -0.488 0.000 1.038 100 V CB 0.120 31.257 31.823 -1.143 0.000 1.003 100 V HN 0.058 8.289 8.190 0.068 0.000 0.481 101 P HA 0.248 4.494 4.420 -0.671 -0.228 0.271 101 P C -0.805 176.360 177.300 -0.226 0.000 1.216 101 P CA -0.526 62.302 63.100 -0.454 0.000 0.776 101 P CB 1.365 32.805 31.700 -0.432 0.000 0.881 102 T N 4.623 119.043 114.554 -0.225 0.000 2.809 102 T HA 0.249 4.748 4.350 0.051 -0.118 0.296 102 T C -1.823 172.953 174.700 0.125 0.000 1.015 102 T CA 0.366 62.483 62.100 0.029 0.000 0.954 102 T CB 1.972 70.907 68.868 0.112 0.000 0.950 102 T HN 0.395 8.401 8.240 -0.389 0.000 0.450 103 L N 9.916 131.251 121.223 0.187 0.000 2.288 103 L HA 0.542 5.205 4.340 0.236 -0.181 0.283 103 L C -2.389 174.630 176.870 0.248 0.000 1.072 103 L CA -1.231 53.756 54.840 0.245 0.000 0.862 103 L CB 1.262 43.464 42.059 0.239 0.000 1.245 103 L HN 0.821 9.146 8.230 0.158 0.000 0.432 104 L N 7.523 128.900 121.223 0.257 0.000 2.295 104 L HA 0.419 4.907 4.340 0.246 0.000 0.285 104 L C -2.259 174.765 176.870 0.257 0.000 1.035 104 L CA -1.145 53.862 54.840 0.278 0.000 0.806 104 L CB 3.104 45.386 42.059 0.373 0.000 1.214 104 L HN 0.046 8.374 8.230 0.164 0.000 0.426 105 K N 7.055 127.556 120.400 0.168 0.000 2.244 105 K HA 0.244 4.291 4.320 -0.455 0.000 0.263 105 K C -0.909 175.666 176.600 -0.042 0.000 1.103 105 K CA -1.899 54.312 56.287 -0.126 0.000 0.966 105 K CB 0.221 32.662 32.500 -0.098 0.000 1.429 105 K HN -0.276 8.080 8.250 0.176 0.000 0.434 106 Y N 8.062 128.279 120.300 -0.138 0.000 2.847 106 Y HA -0.391 4.183 4.550 0.040 0.000 0.370 106 Y C 0.331 176.192 175.900 -0.065 0.000 1.335 106 Y CA 1.721 59.798 58.100 -0.037 0.000 1.693 106 Y CB -0.163 38.294 38.460 -0.005 0.000 1.209 106 Y HN 0.088 8.419 8.280 0.085 0.000 0.517 107 G N 6.331 114.986 108.800 -0.242 0.000 2.699 107 G HA2 -0.177 3.618 3.960 -0.275 0.000 0.198 107 G HA3 -0.177 3.698 3.960 -0.142 0.000 0.198 107 G C -1.328 173.510 174.900 -0.102 0.000 1.033 107 G CA -0.278 44.703 45.100 -0.198 0.000 0.728 107 G HN 0.070 8.212 8.290 -0.245 0.000 0.484 108 T N -0.592 113.929 114.554 -0.056 0.000 2.887 108 T HA 0.563 4.902 4.350 -0.019 0.000 0.288 108 T C -2.097 172.613 174.700 0.016 0.000 1.021 108 T CA -3.898 58.194 62.100 -0.014 0.000 1.000 108 T CB 2.130 71.001 68.868 0.005 0.000 1.034 108 T HN -0.121 8.084 8.240 -0.058 0.000 0.467 109 P HA -0.107 4.344 4.420 0.052 0.000 0.239 109 P C -0.724 176.610 177.300 0.057 0.000 1.184 109 P CA 0.539 63.664 63.100 0.043 0.000 0.760 109 P CB 0.146 31.866 31.700 0.032 0.000 0.884 110 Q N -0.587 119.247 119.800 0.057 0.000 2.286 110 Q HA -0.059 4.312 4.340 0.053 0.000 0.267 110 Q C -1.200 174.857 176.000 0.095 0.000 1.028 110 Q CA 0.712 56.554 55.803 0.064 0.000 0.901 110 Q CB 0.580 29.354 28.738 0.060 0.000 1.183 110 Q HN 0.032 8.233 8.270 0.047 0.097 0.392 111 K N 0.672 121.124 120.400 0.087 0.000 2.502 111 K HA 0.794 5.357 4.320 0.145 -0.155 0.257 111 K C -1.299 175.345 176.600 0.073 0.000 0.938 111 K CA -1.916 54.438 56.287 0.111 0.000 0.819 111 K CB 3.271 35.851 32.500 0.134 0.000 1.333 111 K HN -0.040 8.250 8.250 0.066 0.000 0.434 112 L N 3.362 124.628 121.223 0.071 0.000 2.305 112 L HA 0.325 4.854 4.340 0.020 -0.177 0.284 112 L C -0.818 176.088 176.870 0.061 0.000 1.013 112 L CA -1.010 53.851 54.840 0.034 0.000 0.819 112 L CB 1.091 43.136 42.059 -0.023 0.000 1.227 112 L HN 0.607 8.793 8.230 0.105 0.107 0.417 113 V N 2.584 122.527 119.914 0.048 0.000 3.441 113 V HA 0.040 4.195 4.120 0.059 0.000 0.300 113 V C 1.427 177.543 176.094 0.038 0.000 1.062 113 V CA -2.140 60.190 62.300 0.051 0.000 1.064 113 V CB 0.734 32.589 31.823 0.053 0.000 1.197 113 V HN -0.544 7.871 8.190 0.036 -0.203 0.451 114 E N 1.127 121.344 120.200 0.028 0.000 2.119 114 E HA -0.582 3.822 4.350 0.011 -0.048 0.221 114 E C 2.538 179.148 176.600 0.016 0.000 1.062 114 E CA 3.874 60.284 56.400 0.016 0.000 0.894 114 E CB -0.302 29.406 29.700 0.013 0.000 0.785 114 E HN 0.473 8.850 8.360 0.029 0.000 0.472 115 S N -1.989 113.720 115.700 0.016 0.000 2.374 115 S HA -0.299 4.173 4.470 0.003 0.000 0.227 115 S C 2.569 177.166 174.600 -0.005 0.000 1.037 115 S CA 3.593 61.797 58.200 0.006 0.000 1.024 115 S CB -0.529 62.676 63.200 0.010 0.000 0.861 115 S HN -0.014 8.310 8.310 0.023 0.000 0.456 116 E N 0.009 120.208 120.200 -0.002 0.000 2.418 116 E HA -0.204 4.127 4.350 -0.032 0.000 0.197 116 E C 0.282 176.862 176.600 -0.034 0.000 1.026 116 E CA 2.140 58.528 56.400 -0.021 0.000 0.862 116 E CB -0.382 29.309 29.700 -0.014 0.000 0.799 116 E HN -0.613 7.678 8.360 0.010 0.075 0.518 117 C N -4.235 115.062 119.300 -0.005 0.000 2.563 117 C HA -0.190 4.254 4.460 -0.027 0.000 0.268 117 C C 0.183 175.153 174.990 -0.034 0.000 1.365 117 C CA 2.178 61.198 59.018 0.004 0.000 1.754 117 C CB 1.100 28.905 27.740 0.109 0.000 1.932 117 C HN 0.335 8.291 8.230 0.010 0.279 0.536 118 C N -1.479 117.802 119.300 -0.031 0.000 2.926 118 C HA 0.051 4.480 4.460 -0.051 0.000 0.272 118 C C -1.135 173.821 174.990 -0.057 0.000 1.249 118 C CA -0.454 58.539 59.018 -0.042 0.000 1.691 118 C CB 0.520 28.245 27.740 -0.025 0.000 1.983 118 C HN -0.587 7.476 8.230 -0.021 0.155 0.615 119 Q N 2.019 121.781 119.800 -0.063 0.000 2.441 119 Q HA 0.161 4.463 4.340 -0.063 0.000 0.234 119 Q C -0.246 175.693 176.000 -0.103 0.000 1.078 119 Q CA -1.758 54.003 55.803 -0.071 0.000 0.907 119 Q CB -1.058 27.644 28.738 -0.060 0.000 1.269 119 Q HN -0.530 7.545 8.270 -0.059 0.159 0.502 120 S N 6.221 121.855 115.700 -0.110 0.000 2.374 120 S HA -0.377 3.994 4.470 -0.166 0.000 0.227 120 S C 1.397 175.898 174.600 -0.166 0.000 1.037 120 S CA 3.847 61.957 58.200 -0.149 0.000 1.024 120 S CB -0.190 62.925 63.200 -0.142 0.000 0.861 120 S HN 0.043 8.298 8.310 -0.092 0.000 0.456 121 S N 2.544 118.170 115.700 -0.123 0.000 2.387 121 S HA -0.227 4.310 4.470 -0.118 -0.138 0.230 121 S C 0.878 175.408 174.600 -0.116 0.000 1.035 121 S CA 3.120 61.255 58.200 -0.109 0.000 1.014 121 S CB -0.501 62.656 63.200 -0.072 0.000 0.836 121 S HN 0.143 8.383 8.310 -0.101 0.010 0.466 122 L N -1.945 119.206 121.223 -0.121 0.000 2.127 122 L HA -0.122 4.151 4.340 -0.112 0.000 0.203 122 L C 1.368 178.111 176.870 -0.212 0.000 1.080 122 L CA 2.598 57.358 54.840 -0.133 0.000 0.768 122 L CB 0.363 42.358 42.059 -0.107 0.000 0.924 122 L HN -0.593 7.443 8.230 -0.113 0.125 0.444 123 V N 0.091 119.864 119.914 -0.235 0.000 2.287 123 V HA -0.582 3.236 4.120 -0.504 0.000 0.248 123 V C 1.815 177.725 176.094 -0.307 0.000 1.053 123 V CA 5.397 67.493 62.300 -0.340 0.000 1.027 123 V CB -0.146 31.547 31.823 -0.217 0.000 0.646 123 V HN 0.154 8.163 8.190 -0.189 0.068 0.447 124 E N -3.621 116.455 120.200 -0.207 0.000 2.418 124 E HA -0.238 4.125 4.350 0.021 0.000 0.197 124 E C 1.414 177.982 176.600 -0.054 0.000 1.026 124 E CA 1.793 58.105 56.400 -0.147 0.000 0.862 124 E CB -0.588 28.857 29.700 -0.425 0.000 0.799 124 E HN 0.166 8.385 8.360 -0.234 0.000 0.518 125 M N 1.079 120.607 119.600 -0.121 0.000 2.240 125 M HA -0.175 4.293 4.480 -0.020 0.000 0.257 125 M C 1.466 177.716 176.300 -0.084 0.000 1.107 125 M CA 2.981 58.238 55.300 -0.073 0.000 1.169 125 M CB 0.887 33.441 32.600 -0.077 0.000 1.307 125 M HN -0.469 7.513 8.290 -0.178 0.202 0.447 126 I N -0.679 119.763 120.570 -0.213 0.000 2.479 126 I HA -0.502 3.627 4.170 -0.068 0.000 0.258 126 I C 0.048 176.097 176.117 -0.113 0.000 1.165 126 I CA 2.958 64.132 61.300 -0.211 0.000 1.422 126 I CB 0.028 37.806 38.000 -0.371 0.000 1.087 126 I HN -0.001 8.051 8.210 -0.262 0.000 0.441 127 F N -4.335 115.621 119.950 0.009 0.000 2.317 127 F HA -0.123 4.493 4.527 0.148 0.000 0.290 127 F C 2.209 178.052 175.800 0.072 0.000 1.075 127 F CA 1.585 59.605 58.000 0.033 0.000 1.380 127 F CB -0.467 38.472 39.000 -0.101 0.000 1.093 127 F HN -0.886 7.219 8.300 -0.230 0.057 0.524 128 S N -0.240 115.589 115.700 0.216 0.000 2.344 128 S HA -0.220 4.343 4.470 0.154 0.000 0.217 128 S C 0.879 175.552 174.600 0.121 0.000 1.033 128 S CA 2.722 61.010 58.200 0.146 0.000 1.017 128 S CB 0.012 63.272 63.200 0.100 0.000 0.941 128 S HN -0.839 7.489 8.310 0.170 0.085 0.430 129 E N 0.345 120.601 120.200 0.093 0.000 2.392 129 E HA -0.042 4.350 4.350 0.071 0.000 0.259 129 E C -1.305 175.356 176.600 0.103 0.000 1.108 129 E CA 0.172 56.619 56.400 0.078 0.000 0.916 129 E CB 1.002 30.733 29.700 0.051 0.000 0.989 129 E HN -0.605 7.800 8.360 0.076 0.000 0.432 130 D N 0.000 120.450 120.400 0.083 0.000 6.856 130 D HA 0.000 4.709 4.640 0.115 0.000 0.175 130 D CA 0.000 54.051 54.000 0.085 0.000 0.868 130 D CB 0.000 40.839 40.800 0.065 0.000 0.688 130 D HN 0.000 8.410 8.370 0.066 0.000 0.683