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 3c09_1_C DATA FIRST_RESID 1 DATA SEQUENCE QVQLVQSGAE VKKPGASVKV SCKASGYTFT SHWMHWVRQA PGQGLEWIGE DATA SEQUENCE FNPSNGRTNY NEKFKSKATM TVDTSTNTAY MELSSLRSED TAVYYCASRD DATA SEQUENCE YDYAGRYFDY WGQGTLVTVS SASTKGPSXX XXXXXXXXXX XXXXXXGCLV DATA SEQUENCE KDYFPEPVTV SWNSGALTSG VHTFPAVLQS SGLYSLSSVV TVXXXXXXXX DATA SEQUENCE XYICNVNHKP SNTKVDKK 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 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1 Q C 0.000 176.004 176.000 0.006 0.000 1.003 1 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 1 Q CB 0.000 28.752 28.738 0.022 0.000 1.108 2 V N 1.510 121.391 119.914 -0.055 0.000 2.479 2 V HA 0.646 4.767 4.120 0.002 0.000 0.281 2 V C -0.601 175.463 176.094 -0.050 0.000 1.031 2 V CA 1.152 63.398 62.300 -0.089 0.000 1.038 2 V CB 0.770 32.330 31.823 -0.438 0.000 0.981 2 V HN 0.281 8.471 8.190 -0.000 0.000 0.478 3 Q N 6.223 126.053 119.800 0.051 0.000 2.305 3 Q HA 0.737 5.078 4.340 0.002 0.000 0.271 3 Q C -1.393 174.668 176.000 0.101 0.000 1.046 3 Q CA -0.613 55.231 55.803 0.069 0.000 0.798 3 Q CB 1.923 30.690 28.738 0.049 0.000 1.286 3 Q HN 0.986 9.256 8.270 -0.000 0.000 0.435 4 L N 1.878 123.164 121.223 0.105 0.000 2.316 4 L HA 0.700 5.041 4.340 0.002 0.000 0.280 4 L C -0.663 176.246 176.870 0.065 0.000 1.006 4 L CA -1.213 53.684 54.840 0.096 0.000 0.836 4 L CB 1.910 44.029 42.059 0.099 0.000 1.221 4 L HN 0.533 8.763 8.230 -0.000 0.000 0.418 5 V N 3.584 123.518 119.914 0.034 0.000 2.370 5 V HA 0.346 4.467 4.120 0.002 0.000 0.283 5 V C -0.037 176.066 176.094 0.016 0.000 1.023 5 V CA -0.572 61.742 62.300 0.024 0.000 0.857 5 V CB 1.572 33.401 31.823 0.009 0.000 0.985 5 V HN 0.709 8.899 8.190 -0.000 0.000 0.443 6 Q N 2.085 121.905 119.800 0.032 0.000 2.235 6 Q HA 0.450 4.791 4.340 0.002 0.000 0.256 6 Q C 0.350 176.377 176.000 0.044 0.000 0.951 6 Q CA -0.437 55.396 55.803 0.049 0.000 0.890 6 Q CB 2.002 30.782 28.738 0.070 0.000 1.279 6 Q HN 0.822 9.092 8.270 -0.000 0.000 0.444 7 S N 0.838 116.575 115.700 0.060 0.000 2.554 7 S HA 0.040 4.511 4.470 0.002 0.000 0.290 7 S C 0.488 175.111 174.600 0.038 0.000 1.309 7 S CA 0.074 58.304 58.200 0.050 0.000 1.047 7 S CB 0.245 63.487 63.200 0.070 0.000 0.828 7 S HN 0.683 8.993 8.310 -0.000 0.000 0.509 8 G N 1.859 110.670 108.800 0.019 0.000 2.606 8 G HA2 0.528 4.489 3.960 0.002 0.000 0.252 8 G HA3 0.528 4.489 3.960 0.002 0.000 0.252 8 G C 0.412 175.314 174.900 0.002 0.000 1.206 8 G CA -0.362 44.738 45.100 0.001 0.000 0.861 8 G HN 1.355 9.645 8.290 -0.000 0.000 0.561 9 A N 0.129 122.939 122.820 -0.017 0.000 2.429 9 A HA 0.541 4.862 4.320 0.002 0.000 0.242 9 A C 0.458 178.036 177.584 -0.011 0.000 1.088 9 A CA 0.353 52.382 52.037 -0.014 0.000 0.784 9 A CB 0.314 19.289 19.000 -0.042 0.000 1.038 9 A HN 0.695 8.845 8.150 -0.000 0.000 0.501 10 E N -1.151 119.054 120.200 0.009 0.000 2.390 10 E HA 0.453 4.805 4.350 0.002 0.000 0.280 10 E C -1.986 174.644 176.600 0.049 0.000 0.992 10 E CA -0.620 55.795 56.400 0.025 0.000 0.790 10 E CB 2.337 32.053 29.700 0.027 0.000 1.248 10 E HN 0.461 8.821 8.360 -0.000 0.000 0.447 11 V N 2.329 122.286 119.914 0.072 0.000 2.628 11 V HA 0.590 4.711 4.120 0.002 0.000 0.306 11 V C -1.217 174.934 176.094 0.096 0.000 1.045 11 V CA -0.320 62.048 62.300 0.113 0.000 0.905 11 V CB 1.635 33.569 31.823 0.185 0.000 0.997 11 V HN 0.459 8.649 8.190 -0.000 0.000 0.436 12 K N 3.715 124.176 120.400 0.102 0.000 2.523 12 K HA 0.585 4.906 4.320 0.002 0.000 0.257 12 K C -0.494 176.152 176.600 0.077 0.000 0.932 12 K CA -0.623 55.708 56.287 0.073 0.000 0.812 12 K CB 1.797 34.328 32.500 0.051 0.000 1.326 12 K HN 0.728 8.978 8.250 -0.000 0.000 0.433 13 K N 2.231 122.664 120.400 0.055 0.000 2.174 13 K HA 0.463 4.784 4.320 0.002 0.000 0.275 13 K C -2.550 174.073 176.600 0.038 0.000 1.015 13 K CA -1.643 54.671 56.287 0.045 0.000 0.933 13 K CB -0.426 32.092 32.500 0.029 0.000 1.025 13 K HN 0.251 8.501 8.250 -0.000 0.000 0.463 14 P HA 0.057 4.477 4.420 -0.000 0.000 0.263 14 P C 1.076 178.389 177.300 0.023 0.000 1.175 14 P CA 2.013 65.133 63.100 0.034 0.000 0.761 14 P CB 0.674 32.392 31.700 0.030 0.000 0.794 15 G N 1.137 109.948 108.800 0.019 0.000 2.241 15 G HA2 -0.190 3.771 3.960 0.002 0.000 0.244 15 G HA3 -0.190 3.771 3.960 0.002 0.000 0.244 15 G C 0.514 175.418 174.900 0.007 0.000 0.998 15 G CA 0.099 45.206 45.100 0.011 0.000 0.621 15 G HN 0.860 9.150 8.290 -0.000 0.000 0.519 16 A N 0.188 123.013 122.820 0.010 0.000 2.327 16 A HA 0.826 5.148 4.320 0.002 0.000 0.255 16 A C 1.010 178.591 177.584 -0.004 0.000 1.099 16 A CA 1.156 53.195 52.037 0.004 0.000 0.801 16 A CB 0.518 19.524 19.000 0.009 0.000 1.062 16 A HN 1.973 10.123 8.150 -0.000 0.000 0.496 17 S N -1.444 114.247 115.700 -0.015 0.000 2.776 17 S HA 0.817 5.288 4.470 0.002 0.000 0.306 17 S C -0.438 174.139 174.600 -0.039 0.000 1.114 17 S CA -0.095 58.087 58.200 -0.031 0.000 0.973 17 S CB 1.244 64.422 63.200 -0.037 0.000 1.250 17 S HN 2.143 10.453 8.310 -0.000 0.000 0.549 18 V N -1.081 118.795 119.914 -0.063 0.000 3.106 18 V HA 0.675 4.796 4.120 0.002 0.000 0.280 18 V C -1.633 174.399 176.094 -0.103 0.000 1.525 18 V CA 0.101 62.359 62.300 -0.070 0.000 0.999 18 V CB 1.518 33.299 31.823 -0.071 0.000 1.186 18 V HN 1.536 9.726 8.190 -0.000 0.000 0.448 19 K N 4.536 124.890 120.400 -0.077 0.000 2.626 19 K HA 0.755 5.076 4.320 0.002 0.000 0.223 19 K C -0.895 175.699 176.600 -0.011 0.000 0.992 19 K CA 0.048 56.290 56.287 -0.076 0.000 1.024 19 K CB 1.374 33.834 32.500 -0.067 0.000 1.225 19 K HN 1.187 9.437 8.250 -0.000 0.000 0.498 20 V N 2.959 122.834 119.914 -0.064 0.000 2.585 20 V HA 0.240 4.361 4.120 0.002 0.000 0.296 20 V C 1.053 177.214 176.094 0.113 0.000 1.035 20 V CA 0.212 62.530 62.300 0.030 0.000 1.084 20 V CB 0.793 32.645 31.823 0.049 0.000 0.953 20 V HN 0.964 9.154 8.190 -0.000 0.000 0.483 21 S N 4.617 120.406 115.700 0.149 0.000 2.690 21 S HA 0.764 5.235 4.470 0.002 0.000 0.291 21 S C -0.405 174.259 174.600 0.107 0.000 1.138 21 S CA -0.622 57.595 58.200 0.028 0.000 1.013 21 S CB 1.822 64.959 63.200 -0.105 0.000 1.053 21 S HN 1.284 9.594 8.310 -0.000 0.000 0.539 22 C N -0.116 119.189 119.300 0.008 0.000 2.811 22 C HA 0.926 5.387 4.460 0.002 0.000 0.352 22 C C -0.461 174.471 174.990 -0.097 0.000 1.098 22 C CA -0.179 58.830 59.018 -0.014 0.000 1.295 22 C CB 0.322 28.053 27.740 -0.016 0.000 1.758 22 C HN 1.349 9.579 8.230 -0.000 0.000 0.488 23 K N 2.217 122.559 120.400 -0.096 0.000 2.182 23 K HA 0.941 5.262 4.320 0.002 0.000 0.262 23 K C -0.153 176.404 176.600 -0.072 0.000 0.957 23 K CA 0.167 56.367 56.287 -0.146 0.000 0.842 23 K CB 1.628 34.036 32.500 -0.153 0.000 1.099 23 K HN 2.256 10.506 8.250 -0.000 0.000 0.438 24 A N 0.948 123.706 122.820 -0.104 0.000 2.317 24 A HA 0.826 5.147 4.320 0.002 0.000 0.327 24 A C 0.520 178.052 177.584 -0.087 0.000 1.178 24 A CA 0.259 52.304 52.037 0.012 0.000 0.817 24 A CB 0.503 19.625 19.000 0.202 0.000 1.189 24 A HN 1.540 9.690 8.150 -0.000 0.000 0.489 25 S N -0.051 115.644 115.700 -0.008 0.000 2.766 25 S HA 0.703 5.174 4.470 0.002 0.000 0.307 25 S C 1.160 175.785 174.600 0.042 0.000 1.121 25 S CA -0.295 57.889 58.200 -0.026 0.000 0.980 25 S CB 0.525 63.718 63.200 -0.010 0.000 1.159 25 S HN 2.491 10.801 8.310 -0.000 0.000 0.546 26 G N -1.076 107.742 108.800 0.030 0.000 2.189 26 G HA2 -0.139 3.822 3.960 0.002 0.000 0.267 26 G HA3 -0.139 3.822 3.960 0.002 0.000 0.267 26 G C -0.002 175.008 174.900 0.184 0.000 0.975 26 G CA 1.595 46.743 45.100 0.081 0.000 0.644 26 G HN 2.203 10.493 8.290 -0.000 0.000 0.537 27 Y N -1.655 118.669 120.300 0.039 0.000 2.513 27 Y HA 0.692 5.243 4.550 0.002 0.000 0.340 27 Y C -0.056 175.907 175.900 0.105 0.000 1.055 27 Y CA -1.072 57.077 58.100 0.081 0.000 1.020 27 Y CB 0.694 39.229 38.460 0.125 0.000 1.301 27 Y HN 0.558 8.838 8.280 -0.000 0.000 0.453 28 T N 3.766 118.364 114.554 0.072 0.000 2.758 28 T HA -0.049 4.302 4.350 0.002 0.000 0.281 28 T C 0.535 175.207 174.700 -0.047 0.000 0.963 28 T CA 0.297 62.392 62.100 -0.008 0.000 1.201 28 T CB -0.431 68.447 68.868 0.017 0.000 0.906 28 T HN 0.673 8.913 8.240 -0.000 0.000 0.528 29 F N 4.408 124.173 119.950 -0.308 0.000 2.293 29 F HA 0.089 4.617 4.527 0.002 0.000 0.300 29 F C 2.464 178.207 175.800 -0.094 0.000 1.086 29 F CA 2.011 59.820 58.000 -0.318 0.000 1.375 29 F CB -0.637 38.198 39.000 -0.275 0.000 1.045 29 F HN 0.785 9.085 8.300 -0.000 0.000 0.516 30 T N -2.372 112.136 114.554 -0.077 0.000 3.163 30 T HA 0.002 4.353 4.350 0.002 0.000 0.260 30 T C 1.950 176.507 174.700 -0.240 0.000 1.156 30 T CA 1.239 63.240 62.100 -0.165 0.000 1.072 30 T CB -0.583 68.236 68.868 -0.081 0.000 0.937 30 T HN 0.205 8.445 8.240 -0.000 0.000 0.528 31 S N -0.238 115.325 115.700 -0.228 0.000 2.503 31 S HA 0.182 4.653 4.470 0.002 0.000 0.217 31 S C -0.196 173.885 174.600 -0.864 0.000 0.999 31 S CA -0.108 57.815 58.200 -0.462 0.000 0.914 31 S CB 0.105 63.058 63.200 -0.411 0.000 0.782 31 S HN 0.835 9.145 8.310 -0.000 0.000 0.520 32 H N -1.806 117.157 119.070 -0.178 0.000 2.856 32 H HA 0.302 4.859 4.556 0.002 0.000 0.355 32 H C -1.356 173.922 175.328 -0.083 0.000 1.079 32 H CA -1.080 54.885 56.048 -0.139 0.000 1.240 32 H CB 0.394 29.965 29.762 -0.319 0.000 1.701 32 H HN 0.152 8.432 8.280 -0.000 0.000 0.527 33 W N 3.193 124.486 121.300 -0.012 0.000 2.257 33 W HA 0.097 4.758 4.660 0.002 0.000 0.337 33 W C 0.010 176.501 176.519 -0.047 0.000 1.321 33 W CA -0.015 57.292 57.345 -0.063 0.000 1.267 33 W CB 0.301 29.695 29.460 -0.110 0.000 1.187 33 W HN 0.288 8.468 8.180 -0.000 0.000 0.565 34 M N 4.212 123.900 119.600 0.146 0.000 2.277 34 M HA 0.236 4.717 4.480 0.002 0.000 0.350 34 M C -0.052 176.239 176.300 -0.016 0.000 1.180 34 M CA -0.426 54.923 55.300 0.083 0.000 1.103 34 M CB 0.715 33.364 32.600 0.083 0.000 1.577 34 M HN 0.445 8.735 8.290 -0.000 0.000 0.459 35 H N 0.758 119.784 119.070 -0.072 0.000 2.679 35 H HA 0.420 4.977 4.556 0.002 0.000 0.367 35 H C -1.445 173.712 175.328 -0.285 0.000 1.162 35 H CA -0.495 55.560 56.048 0.011 0.000 1.181 35 H CB 1.663 31.463 29.762 0.063 0.000 1.693 35 H HN 0.634 8.914 8.280 -0.000 0.000 0.538 36 W N 1.145 122.482 121.300 0.062 0.000 2.702 36 W HA 0.505 5.166 4.660 0.002 0.000 0.331 36 W C -0.911 175.616 176.519 0.014 0.000 1.049 36 W CA -0.508 56.850 57.345 0.022 0.000 1.230 36 W CB 1.708 31.148 29.460 -0.033 0.000 1.408 36 W HN 0.166 8.346 8.180 -0.000 0.000 0.492 37 V N 3.508 123.615 119.914 0.322 0.000 2.760 37 V HA 0.648 4.769 4.120 0.002 0.000 0.309 37 V C -0.431 175.845 176.094 0.304 0.000 1.077 37 V CA -1.396 61.087 62.300 0.304 0.000 0.910 37 V CB 1.968 34.035 31.823 0.406 0.000 1.008 37 V HN 0.575 8.765 8.190 -0.000 0.000 0.424 38 R N 2.643 123.230 120.500 0.145 0.000 2.807 38 R HA 0.837 5.178 4.340 0.002 0.000 0.276 38 R C -0.956 175.366 176.300 0.036 0.000 0.979 38 R CA -0.893 55.173 56.100 -0.057 0.000 0.928 38 R CB 2.230 32.315 30.300 -0.359 0.000 1.191 38 R HN 0.641 8.911 8.270 -0.000 0.000 0.471 39 Q N 2.116 121.900 119.800 -0.026 0.000 2.533 39 Q HA 0.414 4.755 4.340 0.002 0.000 0.251 39 Q C -1.329 174.666 176.000 -0.008 0.000 0.966 39 Q CA -0.491 55.339 55.803 0.044 0.000 0.714 39 Q CB 1.888 30.712 28.738 0.144 0.000 1.284 39 Q HN 0.875 9.145 8.270 -0.000 0.000 0.478 40 A N 4.730 127.556 122.820 0.010 0.000 2.520 40 A HA 0.347 4.668 4.320 0.002 0.000 0.245 40 A C -2.085 175.515 177.584 0.027 0.000 1.072 40 A CA -0.852 51.198 52.037 0.020 0.000 0.761 40 A CB -0.341 18.689 19.000 0.050 0.000 1.004 40 A HN 0.598 8.748 8.150 -0.000 0.000 0.499 41 P HA -0.121 4.299 4.420 -0.000 0.000 0.251 41 P C 1.042 178.359 177.300 0.028 0.000 1.105 41 P CA 2.446 65.561 63.100 0.024 0.000 0.775 41 P CB -0.259 31.460 31.700 0.032 0.000 0.689 42 G N 2.392 111.206 108.800 0.024 0.000 2.283 42 G HA2 -0.258 3.703 3.960 0.002 0.000 0.280 42 G HA3 -0.258 3.703 3.960 0.002 0.000 0.280 42 G C -0.014 174.899 174.900 0.023 0.000 1.029 42 G CA 0.541 45.653 45.100 0.021 0.000 0.840 42 G HN 0.681 8.971 8.290 -0.000 0.000 0.505 43 Q N -1.530 118.286 119.800 0.028 0.000 2.882 43 Q HA 0.735 5.076 4.340 0.002 0.000 0.315 43 Q C 0.773 176.792 176.000 0.033 0.000 1.004 43 Q CA -0.880 54.941 55.803 0.030 0.000 0.777 43 Q CB 0.467 29.228 28.738 0.038 0.000 1.506 43 Q HN 0.604 8.874 8.270 -0.000 0.000 0.489 44 G N 0.235 109.058 108.800 0.038 0.000 2.631 44 G HA2 0.277 4.238 3.960 0.002 0.000 0.271 44 G HA3 0.277 4.238 3.960 0.002 0.000 0.271 44 G C -0.436 174.498 174.900 0.057 0.000 1.302 44 G CA -0.547 44.575 45.100 0.036 0.000 1.002 44 G HN 0.247 8.537 8.290 -0.000 0.000 0.519 45 L N -0.244 121.011 121.223 0.054 0.000 2.439 45 L HA 0.508 4.849 4.340 0.002 0.000 0.261 45 L C 0.377 177.336 176.870 0.147 0.000 1.153 45 L CA 0.264 55.159 54.840 0.092 0.000 0.808 45 L CB 1.162 43.256 42.059 0.059 0.000 1.126 45 L HN 0.667 8.897 8.230 -0.000 0.000 0.460 46 E N 1.112 121.433 120.200 0.203 0.000 2.406 46 E HA 0.078 4.430 4.350 0.002 0.000 0.297 46 E C -1.959 174.806 176.600 0.276 0.000 0.917 46 E CA -0.553 56.001 56.400 0.256 0.000 0.795 46 E CB 1.267 31.124 29.700 0.262 0.000 1.285 46 E HN 0.483 8.843 8.360 -0.000 0.000 0.400 47 W N 7.308 128.681 121.300 0.122 0.000 2.335 47 W HA 0.367 5.028 4.660 0.001 0.000 0.306 47 W C -0.184 176.329 176.519 -0.009 0.000 1.216 47 W CA -0.254 57.139 57.345 0.080 0.000 1.237 47 W CB 0.448 29.973 29.460 0.108 0.000 1.243 47 W HN 0.651 8.831 8.180 -0.000 0.000 0.493 48 I N 4.681 124.863 120.570 -0.648 0.000 2.364 48 I HA 0.320 4.491 4.170 0.002 0.000 0.241 48 I C 1.512 176.949 176.117 -1.133 0.000 1.082 48 I CA 1.131 61.870 61.300 -0.936 0.000 1.401 48 I CB -0.510 37.042 38.000 -0.747 0.000 1.126 48 I HN 0.582 8.792 8.210 -0.000 0.000 0.429 49 G N 0.193 108.224 108.800 -1.281 0.000 2.428 49 G HA2 0.448 4.409 3.960 0.002 0.000 0.305 49 G HA3 0.448 4.409 3.960 0.002 0.000 0.305 49 G C -1.873 172.853 174.900 -0.291 0.000 1.260 49 G CA -0.560 43.823 45.100 -1.195 0.000 0.853 49 G HN 0.241 8.531 8.290 -0.000 0.000 0.480 50 E N -1.594 118.572 120.200 -0.056 0.000 2.408 50 E HA 0.698 5.049 4.350 0.002 0.000 0.275 50 E C -2.044 174.731 176.600 0.291 0.000 0.935 50 E CA -1.009 55.459 56.400 0.113 0.000 0.775 50 E CB 3.127 32.820 29.700 -0.012 0.000 1.277 50 E HN 0.476 8.836 8.360 -0.000 0.000 0.455 51 F N 1.906 121.992 119.950 0.227 0.000 2.579 51 F HA 0.338 4.866 4.527 0.002 0.000 0.325 51 F C -0.947 174.804 175.800 -0.081 0.000 1.162 51 F CA -0.927 57.159 58.000 0.144 0.000 0.946 51 F CB 1.731 40.802 39.000 0.119 0.000 1.211 51 F HN 0.467 8.767 8.300 -0.000 0.000 0.447 52 N N 7.874 126.162 118.700 -0.687 0.000 2.415 52 N HA 0.247 4.988 4.740 0.002 0.000 0.250 52 N C -2.065 173.149 175.510 -0.493 0.000 1.127 52 N CA -2.243 50.119 53.050 -1.146 0.000 0.945 52 N CB 1.216 38.677 38.487 -1.711 0.000 1.196 52 N HN 0.302 8.682 8.380 -0.000 0.000 0.499 53 P HA -0.043 4.377 4.420 -0.000 0.000 0.225 53 P C 0.851 178.090 177.300 -0.101 0.000 1.148 53 P CA 0.828 63.906 63.100 -0.037 0.000 0.779 53 P CB 0.412 31.899 31.700 -0.356 0.000 0.780 54 S N 0.737 116.281 115.700 -0.261 0.000 2.349 54 S HA -0.174 4.297 4.470 0.002 0.000 0.216 54 S C 1.689 176.200 174.600 -0.147 0.000 1.033 54 S CA 2.039 60.121 58.200 -0.198 0.000 1.021 54 S CB -1.109 61.941 63.200 -0.250 0.000 0.968 54 S HN 0.409 8.719 8.310 -0.000 0.000 0.426 55 N N -0.251 118.316 118.700 -0.222 0.000 2.463 55 N HA 0.328 5.069 4.740 0.002 0.000 0.183 55 N C 1.094 176.496 175.510 -0.182 0.000 1.064 55 N CA 0.866 53.818 53.050 -0.165 0.000 0.879 55 N CB -0.101 38.295 38.487 -0.151 0.000 1.148 55 N HN 0.501 8.881 8.380 -0.000 0.000 0.451 56 G N -1.525 107.052 108.800 -0.372 0.000 2.192 56 G HA2 -0.143 3.818 3.960 0.002 0.000 0.193 56 G HA3 -0.143 3.818 3.960 0.002 0.000 0.193 56 G C 0.364 174.872 174.900 -0.652 0.000 0.999 56 G CA 0.000 44.753 45.100 -0.579 0.000 0.659 56 G HN 0.649 8.939 8.290 -0.000 0.000 0.503 57 R N 0.380 120.628 120.500 -0.420 0.000 2.640 57 R HA 0.650 4.991 4.340 0.002 0.000 0.270 57 R C 0.820 177.010 176.300 -0.184 0.000 1.024 57 R CA 1.434 57.415 56.100 -0.199 0.000 1.085 57 R CB -0.388 29.891 30.300 -0.036 0.000 0.963 57 R HN 1.658 9.928 8.270 -0.000 0.000 0.426 58 T N -0.811 113.761 114.554 0.031 0.000 2.883 58 T HA 0.672 5.023 4.350 0.002 0.000 0.296 58 T C -0.927 173.931 174.700 0.262 0.000 1.117 58 T CA -1.111 61.083 62.100 0.156 0.000 1.006 58 T CB 1.848 70.850 68.868 0.224 0.000 1.191 58 T HN 0.544 8.784 8.240 -0.000 0.000 0.508 59 N N 0.895 119.736 118.700 0.235 0.000 2.581 59 N HA 0.355 5.096 4.740 0.002 0.000 0.279 59 N C -1.716 173.833 175.510 0.065 0.000 1.124 59 N CA -0.489 52.715 53.050 0.257 0.000 0.833 59 N CB 0.828 39.498 38.487 0.304 0.000 1.338 59 N HN 0.562 8.942 8.380 -0.000 0.000 0.533 60 Y N 0.674 120.971 120.300 -0.005 0.000 2.374 60 Y HA 0.325 4.876 4.550 0.002 0.000 0.322 60 Y C 1.307 177.151 175.900 -0.094 0.000 1.275 60 Y CA -0.787 57.220 58.100 -0.156 0.000 1.307 60 Y CB 0.863 39.310 38.460 -0.022 0.000 1.282 60 Y HN 0.376 8.656 8.280 -0.000 0.000 0.509 61 N N 0.056 118.771 118.700 0.026 0.000 2.430 61 N HA 0.171 4.912 4.740 0.002 0.000 0.292 61 N C 0.576 176.241 175.510 0.258 0.000 1.051 61 N CA 0.450 53.649 53.050 0.248 0.000 0.917 61 N CB 1.614 40.330 38.487 0.380 0.000 1.164 61 N HN 0.848 9.228 8.380 -0.000 0.000 0.484 62 E N 2.348 122.664 120.200 0.194 0.000 2.164 62 E HA -0.330 4.021 4.350 0.002 0.000 0.206 62 E C 1.941 178.587 176.600 0.077 0.000 1.032 62 E CA 3.127 59.599 56.400 0.119 0.000 0.832 62 E CB -1.418 28.332 29.700 0.084 0.000 0.742 62 E HN 0.936 9.296 8.360 -0.000 0.000 0.460 63 K N -1.062 119.368 120.400 0.049 0.000 2.589 63 K HA 0.210 4.531 4.320 0.002 0.000 0.195 63 K C 1.437 177.790 176.600 -0.410 0.000 1.040 63 K CA 1.348 57.528 56.287 -0.179 0.000 0.950 63 K CB -0.667 31.677 32.500 -0.262 0.000 0.781 63 K HN 0.608 8.858 8.250 -0.000 0.000 0.486 64 F N -1.741 118.257 119.950 0.080 0.000 2.915 64 F HA 0.188 4.716 4.527 0.003 0.000 0.347 64 F C 2.439 178.292 175.800 0.089 0.000 1.104 64 F CA 0.178 58.236 58.000 0.098 0.000 1.126 64 F CB 0.614 39.688 39.000 0.122 0.000 1.145 64 F HN 0.143 8.443 8.300 -0.000 0.000 0.541 65 K N 0.719 121.213 120.400 0.156 0.000 2.074 65 K HA -0.198 4.123 4.320 0.002 0.000 0.209 65 K C 2.116 178.622 176.600 -0.157 0.000 1.048 65 K CA 2.235 58.449 56.287 -0.123 0.000 0.926 65 K CB -1.424 31.005 32.500 -0.120 0.000 0.713 65 K HN 0.410 8.660 8.250 -0.000 0.000 0.444 66 S N -0.236 115.432 115.700 -0.053 0.000 2.356 66 S HA 0.015 4.487 4.470 0.002 0.000 0.219 66 S C 2.523 177.118 174.600 -0.008 0.000 1.036 66 S CA 1.642 59.815 58.200 -0.046 0.000 0.965 66 S CB -0.374 62.806 63.200 -0.034 0.000 0.864 66 S HN 0.749 9.059 8.310 -0.000 0.000 0.471 67 K N 2.014 122.438 120.400 0.041 0.000 1.991 67 K HA 0.385 4.706 4.320 0.002 0.000 0.212 67 K C 1.314 177.960 176.600 0.077 0.000 1.049 67 K CA 1.470 57.800 56.287 0.072 0.000 0.932 67 K CB -1.579 31.000 32.500 0.131 0.000 0.717 67 K HN 0.955 9.205 8.250 -0.000 0.000 0.441 68 A N -0.144 122.769 122.820 0.154 0.000 2.295 68 A HA 0.629 4.950 4.320 0.002 0.000 0.318 68 A C -0.216 177.469 177.584 0.168 0.000 1.134 68 A CA 0.029 52.141 52.037 0.124 0.000 0.827 68 A CB 1.174 20.265 19.000 0.152 0.000 1.136 68 A HN 0.361 8.511 8.150 -0.000 0.000 0.493 69 T N 2.413 117.011 114.554 0.073 0.000 3.011 69 T HA 0.437 4.788 4.350 0.002 0.000 0.303 69 T C -0.517 174.191 174.700 0.013 0.000 0.997 69 T CA -0.196 61.982 62.100 0.131 0.000 1.007 69 T CB 0.798 69.690 68.868 0.040 0.000 1.017 69 T HN 0.596 8.836 8.240 -0.000 0.000 0.443 70 M N 3.471 123.152 119.600 0.136 0.000 2.144 70 M HA 0.533 5.014 4.480 0.002 0.000 0.356 70 M C 0.188 176.433 176.300 -0.092 0.000 1.217 70 M CA -0.455 54.822 55.300 -0.038 0.000 1.087 70 M CB 1.144 33.809 32.600 0.109 0.000 1.609 70 M HN 0.736 9.026 8.290 -0.000 0.000 0.467 71 T N 0.454 114.808 114.554 -0.333 0.000 2.956 71 T HA 0.735 5.086 4.350 0.002 0.000 0.312 71 T C -0.446 174.057 174.700 -0.329 0.000 1.151 71 T CA -0.954 60.893 62.100 -0.422 0.000 1.024 71 T CB 1.366 70.149 68.868 -0.141 0.000 1.140 71 T HN 0.575 8.815 8.240 -0.000 0.000 0.473 72 V N -1.002 118.691 119.914 -0.368 0.000 3.234 72 V HA 0.943 5.064 4.120 0.002 0.000 0.317 72 V C -0.948 175.241 176.094 0.158 0.000 1.147 72 V CA -0.859 61.443 62.300 0.003 0.000 1.037 72 V CB 1.883 33.733 31.823 0.046 0.000 1.148 72 V HN 1.058 9.248 8.190 -0.000 0.000 0.455 73 D N -0.456 120.068 120.400 0.206 0.000 2.846 73 D HA 0.241 4.882 4.640 0.002 0.000 0.279 73 D C 1.139 177.470 176.300 0.051 0.000 1.222 73 D CA 0.398 54.488 54.000 0.150 0.000 0.769 73 D CB 0.361 41.321 40.800 0.267 0.000 1.299 73 D HN 0.865 9.235 8.370 -0.000 0.000 0.537 74 T N -1.830 112.785 114.554 0.102 0.000 2.792 74 T HA -0.304 4.047 4.350 0.002 0.000 0.268 74 T C 1.916 176.607 174.700 -0.016 0.000 1.059 74 T CA 1.802 63.962 62.100 0.099 0.000 1.136 74 T CB -0.494 68.464 68.868 0.149 0.000 0.846 74 T HN 0.286 8.526 8.240 -0.000 0.000 0.489 75 S N 2.726 118.416 115.700 -0.017 0.000 2.354 75 S HA -0.188 4.283 4.470 0.002 0.000 0.219 75 S C 2.258 176.801 174.600 -0.094 0.000 1.035 75 S CA 1.735 59.911 58.200 -0.040 0.000 1.037 75 S CB -1.651 61.538 63.200 -0.019 0.000 0.956 75 S HN 0.809 9.119 8.310 -0.000 0.000 0.428 76 T N -0.941 113.548 114.554 -0.108 0.000 3.148 76 T HA 0.196 4.547 4.350 0.002 0.000 0.253 76 T C 0.102 174.610 174.700 -0.320 0.000 1.134 76 T CA 0.244 62.250 62.100 -0.157 0.000 1.051 76 T CB -0.968 67.844 68.868 -0.093 0.000 0.959 76 T HN 0.415 8.655 8.240 -0.000 0.000 0.525 77 N N 0.699 119.101 118.700 -0.496 0.000 2.714 77 N HA -0.129 4.612 4.740 0.002 0.000 0.253 77 N C -0.960 173.857 175.510 -1.154 0.000 1.024 77 N CA 1.095 53.443 53.050 -1.170 0.000 0.726 77 N CB -1.991 35.948 38.487 -0.913 0.000 0.908 77 N HN 0.498 8.878 8.380 -0.000 0.000 0.542 78 T N -0.392 113.739 114.554 -0.705 0.000 2.881 78 T HA 0.747 5.098 4.350 0.002 0.000 0.291 78 T C -0.095 174.424 174.700 -0.303 0.000 0.990 78 T CA -0.301 61.515 62.100 -0.474 0.000 0.976 78 T CB 1.663 70.254 68.868 -0.461 0.000 0.970 78 T HN 0.373 8.613 8.240 -0.000 0.000 0.438 79 A N 3.505 126.268 122.820 -0.095 0.000 2.292 79 A HA 0.802 5.123 4.320 0.002 0.000 0.319 79 A C -1.190 176.429 177.584 0.058 0.000 1.206 79 A CA -0.501 51.612 52.037 0.126 0.000 0.835 79 A CB 0.306 19.534 19.000 0.380 0.000 1.164 79 A HN 0.775 8.925 8.150 -0.000 0.000 0.505 80 Y N 0.976 121.363 120.300 0.145 0.000 2.602 80 Y HA 0.768 5.319 4.550 0.002 0.000 0.330 80 Y C 0.308 175.935 175.900 -0.455 0.000 1.114 80 Y CA -1.244 56.831 58.100 -0.041 0.000 1.182 80 Y CB 1.551 39.944 38.460 -0.112 0.000 1.305 80 Y HN 0.537 8.817 8.280 -0.000 0.000 0.502 81 M N 2.153 121.379 119.600 -0.622 0.000 2.234 81 M HA 0.210 4.691 4.480 0.002 0.000 0.267 81 M C -1.918 174.065 176.300 -0.529 0.000 1.022 81 M CA -0.285 54.439 55.300 -0.959 0.000 0.993 81 M CB 1.905 33.208 32.600 -2.163 0.000 1.836 81 M HN 0.952 9.242 8.290 -0.000 0.000 0.479 82 E N 5.208 125.212 120.200 -0.328 0.000 2.129 82 E HA 0.512 4.863 4.350 0.002 0.000 0.268 82 E C -1.684 174.807 176.600 -0.182 0.000 0.900 82 E CA -0.503 55.767 56.400 -0.217 0.000 0.755 82 E CB 1.518 31.131 29.700 -0.146 0.000 1.117 82 E HN 0.771 9.131 8.360 -0.000 0.000 0.410 83 L N 3.903 125.010 121.223 -0.194 0.000 2.257 83 L HA 0.413 4.754 4.340 0.002 0.000 0.290 83 L C 0.552 177.377 176.870 -0.076 0.000 1.044 83 L CA -0.086 54.673 54.840 -0.135 0.000 0.810 83 L CB 1.237 43.173 42.059 -0.205 0.000 1.193 83 L HN 0.715 8.945 8.230 -0.000 0.000 0.425 84 S N 1.811 117.489 115.700 -0.038 0.000 2.652 84 S HA 0.430 4.901 4.470 0.002 0.000 0.270 84 S C 0.618 175.212 174.600 -0.009 0.000 1.243 84 S CA -0.087 58.097 58.200 -0.026 0.000 0.999 84 S CB 0.558 63.745 63.200 -0.023 0.000 0.973 84 S HN 0.814 9.124 8.310 -0.000 0.000 0.544 85 S N 1.423 117.118 115.700 -0.008 0.000 3.866 85 S HA -0.077 4.394 4.470 0.002 0.000 0.232 85 S C -0.004 174.604 174.600 0.013 0.000 0.711 85 S CA -0.299 57.902 58.200 0.001 0.000 1.361 85 S CB -1.654 61.546 63.200 0.000 0.000 1.635 85 S HN 0.724 9.034 8.310 -0.000 0.000 0.388 86 L N 2.140 123.374 121.223 0.017 0.000 2.456 86 L HA 0.579 4.920 4.340 0.002 0.000 0.272 86 L C 1.263 178.158 176.870 0.043 0.000 1.189 86 L CA 1.250 56.111 54.840 0.035 0.000 0.846 86 L CB -0.193 41.889 42.059 0.038 0.000 1.111 86 L HN 0.973 9.203 8.230 -0.000 0.000 0.475 87 R N 1.088 121.623 120.500 0.058 0.000 2.664 87 R HA 0.455 4.796 4.340 0.002 0.000 0.286 87 R C 1.122 177.467 176.300 0.074 0.000 0.967 87 R CA 0.023 56.157 56.100 0.056 0.000 0.933 87 R CB 0.437 30.765 30.300 0.048 0.000 1.146 87 R HN 0.790 9.060 8.270 -0.000 0.000 0.468 88 S N -0.801 114.939 115.700 0.067 0.000 2.500 88 S HA -0.086 4.385 4.470 0.002 0.000 0.239 88 S C 1.667 176.319 174.600 0.086 0.000 0.989 88 S CA 1.762 60.009 58.200 0.078 0.000 0.951 88 S CB -0.070 63.170 63.200 0.067 0.000 0.759 88 S HN 1.086 9.396 8.310 -0.000 0.000 0.523 89 E N 1.309 121.557 120.200 0.080 0.000 2.435 89 E HA 0.019 4.370 4.350 0.002 0.000 0.195 89 E C 1.340 178.014 176.600 0.124 0.000 1.029 89 E CA 0.816 57.268 56.400 0.086 0.000 0.865 89 E CB -0.801 28.938 29.700 0.064 0.000 0.833 89 E HN 0.707 9.067 8.360 -0.000 0.000 0.510 90 D N 0.559 121.047 120.400 0.146 0.000 2.363 90 D HA -0.009 4.632 4.640 0.002 0.000 0.226 90 D C 0.024 176.490 176.300 0.276 0.000 1.020 90 D CA 0.515 54.652 54.000 0.229 0.000 0.892 90 D CB 0.040 40.962 40.800 0.203 0.000 0.900 90 D HN 0.253 8.623 8.370 -0.000 0.000 0.531 91 T N 1.323 115.990 114.554 0.189 0.000 2.752 91 T HA 0.492 4.843 4.350 0.002 0.000 0.295 91 T C 0.179 174.952 174.700 0.122 0.000 0.923 91 T CA -0.137 62.068 62.100 0.175 0.000 1.112 91 T CB 0.954 69.898 68.868 0.127 0.000 0.884 91 T HN 0.093 8.333 8.240 -0.000 0.000 0.525 92 A N 3.232 126.111 122.820 0.099 0.000 2.564 92 A HA 0.682 5.003 4.320 0.002 0.000 0.291 92 A C -1.004 176.453 177.584 -0.211 0.000 1.102 92 A CA -0.762 51.200 52.037 -0.124 0.000 0.660 92 A CB 0.906 19.724 19.000 -0.303 0.000 1.283 92 A HN 0.527 8.677 8.150 -0.000 0.000 0.430 93 V N 0.869 120.630 119.914 -0.256 0.000 2.461 93 V HA 0.314 4.435 4.120 0.002 0.000 0.275 93 V C -1.121 174.741 176.094 -0.387 0.000 1.047 93 V CA 0.224 62.375 62.300 -0.248 0.000 0.955 93 V CB 0.386 32.060 31.823 -0.248 0.000 0.988 93 V HN 0.639 8.829 8.190 -0.000 0.000 0.471 94 Y N 4.791 125.060 120.300 -0.051 0.000 2.491 94 Y HA 0.462 5.013 4.550 0.001 0.000 0.334 94 Y C -0.048 175.916 175.900 0.108 0.000 0.969 94 Y CA -0.357 57.805 58.100 0.103 0.000 1.241 94 Y CB 0.556 39.114 38.460 0.163 0.000 1.105 94 Y HN 0.529 8.809 8.280 -0.000 0.000 0.503 95 Y N 2.101 122.584 120.300 0.307 0.000 2.307 95 Y HA 0.446 4.997 4.550 0.002 0.000 0.324 95 Y C 0.685 176.585 175.900 0.000 0.000 1.238 95 Y CA -0.738 57.498 58.100 0.227 0.000 1.280 95 Y CB 0.999 39.702 38.460 0.404 0.000 1.248 95 Y HN 0.632 8.912 8.280 -0.000 0.000 0.508 96 C N 0.771 119.995 119.300 -0.126 0.000 2.667 96 C HA 1.016 5.477 4.460 0.002 0.000 0.323 96 C C -0.598 174.072 174.990 -0.534 0.000 1.214 96 C CA -0.860 57.721 59.018 -0.729 0.000 1.721 96 C CB 0.706 27.704 27.740 -1.236 0.000 2.275 96 C HN 1.030 9.260 8.230 -0.000 0.000 0.491 97 A N 1.183 123.642 122.820 -0.601 0.000 2.513 97 A HA 0.819 5.140 4.320 0.002 0.000 0.296 97 A C -0.337 177.117 177.584 -0.218 0.000 1.052 97 A CA 0.477 52.138 52.037 -0.626 0.000 0.714 97 A CB 0.642 18.817 19.000 -1.375 0.000 1.279 97 A HN 2.213 10.363 8.150 -0.000 0.000 0.397 98 S N 2.042 117.681 115.700 -0.103 0.000 2.439 98 S HA 0.666 5.137 4.470 0.002 0.000 0.282 98 S C 0.279 174.917 174.600 0.064 0.000 1.170 98 S CA -0.200 58.051 58.200 0.086 0.000 1.054 98 S CB 0.085 63.308 63.200 0.039 0.000 0.956 98 S HN 0.638 8.948 8.310 -0.000 0.000 0.490 99 R N 2.432 123.017 120.500 0.143 0.000 2.564 99 R HA 0.764 5.105 4.340 0.002 0.000 0.284 99 R C -1.870 174.396 176.300 -0.056 0.000 1.031 99 R CA -0.763 55.259 56.100 -0.129 0.000 0.904 99 R CB 1.848 31.868 30.300 -0.466 0.000 1.199 99 R HN 0.695 8.965 8.270 -0.000 0.000 0.443 100 D N 0.095 120.144 120.400 -0.586 0.000 2.755 100 D HA 0.251 4.892 4.640 0.002 0.000 0.277 100 D C -1.808 174.107 176.300 -0.643 0.000 1.261 100 D CA -0.442 53.394 54.000 -0.272 0.000 0.759 100 D CB 1.206 42.144 40.800 0.229 0.000 1.279 100 D HN 0.291 8.661 8.370 -0.000 0.000 0.420 101 Y N 0.887 121.134 120.300 -0.088 0.000 2.335 101 Y HA 0.340 4.891 4.550 0.002 0.000 0.338 101 Y C 0.097 176.043 175.900 0.077 0.000 0.977 101 Y CA -0.690 57.413 58.100 0.005 0.000 1.114 101 Y CB 1.340 39.836 38.460 0.059 0.000 1.182 101 Y HN 0.199 8.479 8.280 -0.000 0.000 0.463 102 D N 1.328 121.896 120.400 0.280 0.000 2.423 102 D HA -0.125 4.516 4.640 0.002 0.000 0.238 102 D C 0.945 177.382 176.300 0.228 0.000 1.142 102 D CA 0.374 54.526 54.000 0.254 0.000 0.884 102 D CB 0.468 41.433 40.800 0.276 0.000 1.199 102 D HN 0.680 9.050 8.370 -0.000 0.000 0.438 103 Y N 1.996 122.340 120.300 0.074 0.000 2.283 103 Y HA -0.336 4.215 4.550 0.002 0.000 0.285 103 Y C 1.983 177.922 175.900 0.066 0.000 1.176 103 Y CA 2.183 60.314 58.100 0.051 0.000 1.229 103 Y CB 0.055 38.529 38.460 0.023 0.000 0.975 103 Y HN 0.483 8.763 8.280 -0.000 0.000 0.537 104 A N -0.498 122.460 122.820 0.231 0.000 1.902 104 A HA 0.076 4.398 4.320 0.002 0.000 0.217 104 A C 2.245 179.883 177.584 0.091 0.000 1.181 104 A CA 1.983 54.112 52.037 0.153 0.000 0.623 104 A CB -1.300 17.807 19.000 0.178 0.000 0.818 104 A HN 1.025 9.175 8.150 -0.000 0.000 0.443 105 G N -3.812 105.071 108.800 0.139 0.000 2.218 105 G HA2 0.184 4.145 3.960 0.002 0.000 0.216 105 G HA3 0.184 4.145 3.960 0.002 0.000 0.216 105 G C 0.520 175.594 174.900 0.289 0.000 0.994 105 G CA 0.841 46.030 45.100 0.149 0.000 0.637 105 G HN 1.293 9.583 8.290 -0.000 0.000 0.505 106 R N -0.396 120.259 120.500 0.258 0.000 2.490 106 R HA 0.667 5.008 4.340 0.002 0.000 0.280 106 R C 0.072 176.555 176.300 0.304 0.000 1.077 106 R CA -0.016 56.241 56.100 0.262 0.000 1.065 106 R CB 0.024 30.431 30.300 0.178 0.000 1.003 106 R HN 0.815 9.085 8.270 -0.000 0.000 0.470 107 Y N 1.026 121.377 120.300 0.085 0.000 2.497 107 Y HA 0.375 4.926 4.550 0.002 0.000 0.334 107 Y C -0.126 175.766 175.900 -0.014 0.000 1.199 107 Y CA 0.154 58.165 58.100 -0.149 0.000 1.425 107 Y CB 0.716 38.992 38.460 -0.307 0.000 1.291 107 Y HN 0.634 8.914 8.280 -0.000 0.000 0.562 108 F N 7.092 126.737 119.950 -0.509 0.000 2.445 108 F HA 0.328 4.856 4.527 0.002 0.000 0.348 108 F C -1.235 174.348 175.800 -0.361 0.000 1.125 108 F CA -0.582 57.233 58.000 -0.308 0.000 0.983 108 F CB 0.577 39.405 39.000 -0.286 0.000 1.198 108 F HN 0.582 8.882 8.300 -0.000 0.000 0.436 109 D N 5.399 125.533 120.400 -0.444 0.000 2.977 109 D HA 0.257 4.898 4.640 0.002 0.000 0.220 109 D C -1.975 174.048 176.300 -0.461 0.000 1.267 109 D CA -0.178 53.656 54.000 -0.277 0.000 0.884 109 D CB 1.732 42.544 40.800 0.019 0.000 1.667 109 D HN 0.484 8.854 8.370 -0.000 0.000 0.536 110 Y N 0.646 120.781 120.300 -0.275 0.000 2.609 110 Y HA 0.631 5.182 4.550 0.002 0.000 0.342 110 Y C -0.919 174.940 175.900 -0.067 0.000 1.058 110 Y CA -0.821 57.209 58.100 -0.117 0.000 1.055 110 Y CB 2.141 40.442 38.460 -0.265 0.000 1.292 110 Y HN 0.356 8.636 8.280 -0.000 0.000 0.476 111 W N 0.082 121.406 121.300 0.040 0.000 3.032 111 W HA 0.655 5.316 4.660 0.001 0.000 0.335 111 W C 0.195 176.757 176.519 0.072 0.000 1.154 111 W CA -1.084 56.271 57.345 0.016 0.000 1.204 111 W CB 1.507 30.925 29.460 -0.071 0.000 1.416 111 W HN 0.680 8.860 8.180 -0.000 0.000 0.521 112 G N 0.648 109.626 108.800 0.297 0.000 2.588 112 G HA2 0.265 4.226 3.960 0.002 0.000 0.278 112 G HA3 0.265 4.226 3.960 0.002 0.000 0.278 112 G C 0.152 175.252 174.900 0.334 0.000 1.307 112 G CA -0.302 44.940 45.100 0.237 0.000 1.016 112 G HN 0.521 8.811 8.290 -0.000 0.000 0.503 113 Q N -0.579 119.343 119.800 0.203 0.000 2.435 113 Q HA 0.342 4.683 4.340 0.002 0.000 0.207 113 Q C 1.266 177.301 176.000 0.060 0.000 0.956 113 Q CA 0.545 56.451 55.803 0.170 0.000 0.917 113 Q CB -0.238 28.544 28.738 0.074 0.000 0.997 113 Q HN 1.281 9.551 8.270 -0.000 0.000 0.497 114 G N -0.242 108.527 108.800 -0.052 0.000 2.731 114 G HA2 -0.149 3.812 3.960 0.002 0.000 0.686 114 G HA3 -0.149 3.812 3.960 0.002 0.000 0.686 114 G C -0.618 174.163 174.900 -0.198 0.000 1.395 114 G CA -0.344 44.468 45.100 -0.479 0.000 0.870 114 G HN 0.101 8.391 8.290 -0.000 0.000 0.591 115 T N 1.730 116.230 114.554 -0.090 0.000 2.840 115 T HA 0.487 4.838 4.350 0.002 0.000 0.287 115 T C -0.136 174.599 174.700 0.058 0.000 0.991 115 T CA -0.487 61.630 62.100 0.029 0.000 0.964 115 T CB 1.611 70.556 68.868 0.127 0.000 0.954 115 T HN 0.956 9.196 8.240 -0.000 0.000 0.438 116 L N 5.631 126.866 121.223 0.020 0.000 2.312 116 L HA 0.466 4.807 4.340 0.002 0.000 0.287 116 L C -0.623 176.297 176.870 0.084 0.000 1.091 116 L CA -0.216 54.645 54.840 0.035 0.000 0.846 116 L CB 0.137 42.183 42.059 -0.021 0.000 1.219 116 L HN 0.430 8.660 8.230 -0.000 0.000 0.439 117 V N 4.906 124.929 119.914 0.181 0.000 2.348 117 V HA 0.378 4.499 4.120 0.002 0.000 0.270 117 V C 0.259 176.442 176.094 0.149 0.000 1.037 117 V CA -0.347 62.049 62.300 0.161 0.000 0.872 117 V CB 1.289 33.213 31.823 0.169 0.000 1.002 117 V HN 0.827 9.017 8.190 -0.000 0.000 0.464 118 T N 4.953 119.567 114.554 0.100 0.000 2.767 118 T HA 0.462 4.813 4.350 0.002 0.000 0.284 118 T C -0.174 174.605 174.700 0.132 0.000 0.973 118 T CA -0.397 61.764 62.100 0.102 0.000 0.996 118 T CB 1.505 70.403 68.868 0.050 0.000 0.927 118 T HN 0.280 8.520 8.240 -0.000 0.000 0.456 119 V N 3.443 123.441 119.914 0.140 0.000 2.333 119 V HA 0.630 4.751 4.120 0.002 0.000 0.274 119 V C 0.195 176.380 176.094 0.152 0.000 1.028 119 V CA -0.203 62.175 62.300 0.130 0.000 0.851 119 V CB 0.910 32.798 31.823 0.109 0.000 1.000 119 V HN 0.956 9.146 8.190 -0.000 0.000 0.456 120 S N 2.600 118.398 115.700 0.163 0.000 2.537 120 S HA 0.629 5.100 4.470 0.002 0.000 0.271 120 S C 1.037 175.682 174.600 0.075 0.000 1.148 120 S CA 0.203 58.496 58.200 0.156 0.000 0.868 120 S CB 1.984 65.376 63.200 0.321 0.000 1.115 120 S HN 0.887 9.197 8.310 -0.000 0.000 0.461 121 S N 1.888 117.595 115.700 0.011 0.000 2.355 121 S HA 0.398 4.869 4.470 0.002 0.000 0.222 121 S C 1.082 175.636 174.600 -0.076 0.000 1.031 121 S CA 1.290 59.475 58.200 -0.025 0.000 0.993 121 S CB -0.641 62.537 63.200 -0.036 0.000 0.859 121 S HN 1.292 9.602 8.310 -0.000 0.000 0.453 122 A N 1.754 124.463 122.820 -0.185 0.000 2.555 122 A HA 0.481 4.802 4.320 0.002 0.000 0.233 122 A C 0.865 178.282 177.584 -0.279 0.000 1.060 122 A CA 0.354 52.184 52.037 -0.346 0.000 0.759 122 A CB -0.139 18.433 19.000 -0.712 0.000 0.995 122 A HN 0.987 9.137 8.150 -0.000 0.000 0.506 123 S N 1.385 116.966 115.700 -0.197 0.000 2.690 123 S HA 0.582 5.053 4.470 0.002 0.000 0.291 123 S C 0.406 175.041 174.600 0.058 0.000 1.138 123 S CA -0.234 57.948 58.200 -0.031 0.000 1.013 123 S CB 0.821 64.015 63.200 -0.010 0.000 1.053 123 S HN 0.853 9.163 8.310 -0.000 0.000 0.539 124 T N 1.849 116.508 114.554 0.176 0.000 2.836 124 T HA 0.374 4.725 4.350 0.002 0.000 0.343 124 T C 0.125 174.949 174.700 0.206 0.000 1.081 124 T CA 1.107 63.361 62.100 0.257 0.000 1.126 124 T CB -0.386 68.609 68.868 0.210 0.000 1.060 124 T HN 1.158 9.398 8.240 -0.000 0.000 0.536 125 K N 0.848 121.397 120.400 0.249 0.000 2.569 125 K HA 0.625 4.946 4.320 0.002 0.000 0.259 125 K C -0.197 176.437 176.600 0.056 0.000 0.932 125 K CA -0.288 56.086 56.287 0.145 0.000 0.833 125 K CB 0.956 33.533 32.500 0.130 0.000 1.340 125 K HN 1.003 9.253 8.250 -0.000 0.000 0.429 126 G N 2.654 111.461 108.800 0.011 0.000 2.539 126 G HA2 0.648 4.609 3.960 0.002 0.000 0.258 126 G HA3 0.648 4.609 3.960 0.002 0.000 0.258 126 G C -2.393 172.451 174.900 -0.094 0.000 1.202 126 G CA -0.937 44.109 45.100 -0.090 0.000 0.851 126 G HN 0.571 8.861 8.290 -0.000 0.000 0.556 127 P HA 0.532 4.952 4.420 -0.000 0.000 0.287 127 P C -0.513 176.744 177.300 -0.072 0.000 1.296 127 P CA -0.607 62.411 63.100 -0.138 0.000 0.811 127 P CB 1.869 33.332 31.700 -0.396 0.000 1.211 148 C N 0.114 119.611 119.300 0.329 0.000 2.456 148 C HA 0.959 5.421 4.460 0.002 0.000 0.325 148 C C 0.712 175.763 174.990 0.102 0.000 1.217 148 C CA -0.682 58.430 59.018 0.156 0.000 1.687 148 C CB 0.182 27.980 27.740 0.097 0.000 2.270 148 C HN 1.390 9.620 8.230 -0.000 0.000 0.499 149 L N 1.177 122.441 121.223 0.068 0.000 2.371 149 L HA 0.876 5.217 4.340 0.002 0.000 0.272 149 L C 0.166 177.049 176.870 0.022 0.000 1.124 149 L CA -0.070 54.801 54.840 0.051 0.000 0.816 149 L CB -0.091 41.995 42.059 0.045 0.000 1.129 149 L HN 1.464 9.694 8.230 -0.000 0.000 0.448 150 V N 1.720 121.644 119.914 0.018 0.000 2.325 150 V HA 0.816 4.937 4.120 0.002 0.000 0.280 150 V C 0.034 176.168 176.094 0.066 0.000 1.016 150 V CA -0.320 61.963 62.300 -0.029 0.000 0.818 150 V CB 0.417 32.149 31.823 -0.152 0.000 1.019 150 V HN 1.419 9.609 8.190 -0.000 0.000 0.434 151 K N 2.507 122.962 120.400 0.092 0.000 2.238 151 K HA 0.759 5.080 4.320 0.002 0.000 0.239 151 K C 0.088 176.820 176.600 0.220 0.000 0.987 151 K CA -0.126 56.267 56.287 0.175 0.000 0.857 151 K CB 0.792 33.355 32.500 0.104 0.000 1.154 151 K HN 1.121 9.371 8.250 -0.000 0.000 0.439 152 D N 0.408 120.949 120.400 0.234 0.000 3.508 152 D HA -0.152 4.489 4.640 0.002 0.000 0.232 152 D C -0.550 175.898 176.300 0.248 0.000 1.131 152 D CA 2.005 56.109 54.000 0.173 0.000 1.040 152 D CB -1.676 39.179 40.800 0.092 0.000 0.879 152 D HN 0.865 9.235 8.370 -0.000 0.000 0.407 153 Y N -1.115 119.234 120.300 0.080 0.000 2.581 153 Y HA 0.759 5.311 4.550 0.002 0.000 0.337 153 Y C -1.673 174.387 175.900 0.267 0.000 1.108 153 Y CA -1.648 56.476 58.100 0.040 0.000 1.033 153 Y CB 1.536 39.884 38.460 -0.187 0.000 1.318 153 Y HN 0.048 8.328 8.280 -0.000 0.000 0.459 154 F N 4.636 124.663 119.950 0.128 0.000 2.615 154 F HA 0.685 5.213 4.527 0.001 0.000 0.312 154 F C -2.618 173.379 175.800 0.329 0.000 1.119 154 F CA -1.977 56.127 58.000 0.174 0.000 0.979 154 F CB 2.706 41.733 39.000 0.046 0.000 1.266 154 F HN 0.403 8.703 8.300 -0.000 0.000 0.444 155 P HA 0.253 4.673 4.420 -0.000 0.000 0.335 155 P C -1.039 176.208 177.300 -0.088 0.000 1.388 155 P CA 0.174 62.990 63.100 -0.473 0.000 0.859 155 P CB 0.986 32.499 31.700 -0.312 0.000 2.107 156 E N -0.813 119.288 120.200 -0.165 0.000 2.263 156 E HA 0.501 4.852 4.350 0.002 0.000 0.264 156 E C -2.219 174.339 176.600 -0.069 0.000 0.923 156 E CA -1.720 54.623 56.400 -0.095 0.000 0.802 156 E CB 1.423 30.961 29.700 -0.271 0.000 1.228 156 E HN 0.341 8.701 8.360 -0.000 0.000 0.417 157 P HA 0.408 4.828 4.420 -0.000 0.000 0.289 157 P C -0.914 176.443 177.300 0.095 0.000 1.302 157 P CA -0.638 62.476 63.100 0.024 0.000 0.923 157 P CB 0.881 32.564 31.700 -0.029 0.000 1.238 158 V N 0.078 120.078 119.914 0.145 0.000 2.509 158 V HA 0.572 4.693 4.120 0.002 0.000 0.284 158 V C 0.339 176.404 176.094 -0.048 0.000 1.047 158 V CA -0.324 61.964 62.300 -0.021 0.000 0.952 158 V CB 1.082 32.693 31.823 -0.353 0.000 0.988 158 V HN 0.520 8.710 8.190 -0.000 0.000 0.469 159 T N 4.419 118.932 114.554 -0.068 0.000 2.786 159 T HA 0.662 5.013 4.350 0.002 0.000 0.283 159 T C -0.835 173.800 174.700 -0.108 0.000 0.992 159 T CA -0.314 61.743 62.100 -0.071 0.000 0.954 159 T CB 0.870 69.705 68.868 -0.056 0.000 0.934 159 T HN 0.754 8.994 8.240 -0.000 0.000 0.440 160 V N 4.305 124.146 119.914 -0.122 0.000 2.459 160 V HA 0.825 4.946 4.120 0.002 0.000 0.295 160 V C 0.815 176.778 176.094 -0.218 0.000 1.029 160 V CA -0.572 61.602 62.300 -0.210 0.000 0.874 160 V CB 0.979 32.659 31.823 -0.238 0.000 0.985 160 V HN 1.166 9.356 8.190 -0.000 0.000 0.438 161 S N 2.778 118.306 115.700 -0.287 0.000 2.786 161 S HA 0.897 5.368 4.470 0.002 0.000 0.307 161 S C -1.082 173.286 174.600 -0.387 0.000 1.121 161 S CA -0.783 57.295 58.200 -0.204 0.000 0.975 161 S CB 1.148 64.290 63.200 -0.097 0.000 1.220 161 S HN 0.652 8.962 8.310 -0.000 0.000 0.550 162 W N -0.533 120.770 121.300 0.005 0.000 3.127 162 W HA 0.491 5.152 4.660 0.002 0.000 0.330 162 W C 0.684 177.206 176.519 0.006 0.000 1.187 162 W CA 0.738 58.088 57.345 0.008 0.000 1.198 162 W CB 0.651 30.119 29.460 0.013 0.000 1.408 162 W HN 1.469 9.649 8.180 -0.000 0.000 0.529 163 N N -0.129 118.790 118.700 0.365 0.000 1.161 163 N HA -0.348 4.393 4.740 0.002 0.000 0.111 163 N C 1.003 176.577 175.510 0.108 0.000 0.779 163 N CA 2.264 55.429 53.050 0.192 0.000 0.845 163 N CB -1.450 37.123 38.487 0.143 0.000 1.034 163 N HN 1.349 9.729 8.380 -0.000 0.000 0.629 164 S N 0.047 115.794 115.700 0.077 0.000 2.754 164 S HA 0.585 5.057 4.470 0.002 0.000 0.223 164 S C 2.574 177.198 174.600 0.040 0.000 0.951 164 S CA 1.310 59.538 58.200 0.047 0.000 0.954 164 S CB -1.004 62.218 63.200 0.037 0.000 0.780 164 S HN 2.722 11.032 8.310 -0.000 0.000 0.509 165 G N -0.869 107.965 108.800 0.055 0.000 2.143 165 G HA2 -0.047 3.914 3.960 0.002 0.000 0.249 165 G HA3 -0.047 3.914 3.960 0.002 0.000 0.249 165 G C 0.952 175.882 174.900 0.050 0.000 0.981 165 G CA 0.693 45.821 45.100 0.047 0.000 0.665 165 G HN 1.388 9.678 8.290 -0.000 0.000 0.528 166 A N -0.941 121.913 122.820 0.057 0.000 1.924 166 A HA 0.659 4.980 4.320 0.002 0.000 0.211 166 A C 1.267 178.884 177.584 0.055 0.000 1.198 166 A CA 1.298 53.363 52.037 0.047 0.000 0.657 166 A CB 0.052 19.074 19.000 0.038 0.000 0.852 166 A HN 1.460 9.610 8.150 -0.000 0.000 0.454 167 L N -0.387 120.883 121.223 0.077 0.000 2.456 167 L HA 0.556 4.897 4.340 0.002 0.000 0.272 167 L C 0.797 177.727 176.870 0.100 0.000 1.189 167 L CA 1.828 56.715 54.840 0.078 0.000 0.846 167 L CB 0.606 42.720 42.059 0.092 0.000 1.111 167 L HN 0.496 8.726 8.230 -0.000 0.000 0.475 168 T N 1.429 116.022 114.554 0.065 0.000 3.417 168 T HA 0.410 4.761 4.350 0.002 0.000 0.279 168 T C 0.891 175.615 174.700 0.039 0.000 0.918 168 T CA 0.462 62.603 62.100 0.068 0.000 1.005 168 T CB -0.903 67.991 68.868 0.044 0.000 1.212 168 T HN 0.927 9.167 8.240 -0.000 0.000 0.510 169 S N 0.823 116.531 115.700 0.013 0.000 2.558 169 S HA 0.457 4.928 4.470 0.002 0.000 0.293 169 S C 1.809 176.403 174.600 -0.010 0.000 1.292 169 S CA 0.606 58.805 58.200 -0.001 0.000 1.063 169 S CB -0.749 62.446 63.200 -0.009 0.000 0.831 169 S HN 2.095 10.405 8.310 -0.000 0.000 0.499 170 G N 0.344 109.152 108.800 0.012 0.000 2.162 170 G HA2 -0.077 3.884 3.960 0.002 0.000 0.260 170 G HA3 -0.077 3.884 3.960 0.002 0.000 0.260 170 G C 0.434 175.387 174.900 0.088 0.000 0.976 170 G CA 0.653 45.773 45.100 0.033 0.000 0.655 170 G HN 2.217 10.507 8.290 -0.000 0.000 0.533 171 V N -2.610 117.355 119.914 0.086 0.000 2.881 171 V HA 0.752 4.873 4.120 0.002 0.000 0.303 171 V C 0.267 176.470 176.094 0.182 0.000 1.070 171 V CA -0.518 61.869 62.300 0.145 0.000 1.074 171 V CB 1.357 33.297 31.823 0.196 0.000 1.012 171 V HN 0.341 8.531 8.190 -0.000 0.000 0.482 172 H N 0.974 120.042 119.070 -0.003 0.000 2.699 172 H HA 0.409 4.966 4.556 0.002 0.000 0.256 172 H C -0.373 174.870 175.328 -0.142 0.000 1.376 172 H CA -0.254 55.683 56.048 -0.185 0.000 1.549 172 H CB 0.902 30.467 29.762 -0.329 0.000 1.686 172 H HN 0.873 9.153 8.280 -0.000 0.000 0.550 173 T N 3.518 118.068 114.554 -0.007 0.000 2.987 173 T HA 0.157 4.508 4.350 0.002 0.000 0.288 173 T C 0.509 175.227 174.700 0.030 0.000 0.981 173 T CA -0.376 61.771 62.100 0.078 0.000 1.031 173 T CB -0.694 68.209 68.868 0.058 0.000 0.976 173 T HN 0.209 8.449 8.240 -0.000 0.000 0.612 174 F N 3.192 123.201 119.950 0.099 0.000 2.586 174 F HA 0.224 4.752 4.527 0.002 0.000 0.344 174 F C -1.324 174.508 175.800 0.054 0.000 1.188 174 F CA -1.775 56.273 58.000 0.081 0.000 1.359 174 F CB -0.321 38.735 39.000 0.093 0.000 1.129 174 F HN 0.326 8.626 8.300 -0.000 0.000 0.609 175 P HA 0.184 4.604 4.420 -0.000 0.000 0.268 175 P C -0.886 176.499 177.300 0.142 0.000 1.205 175 P CA -0.347 62.833 63.100 0.134 0.000 0.771 175 P CB 0.474 32.240 31.700 0.110 0.000 0.858 176 A N 2.691 125.554 122.820 0.071 0.000 2.492 176 A HA 0.343 4.664 4.320 0.002 0.000 0.236 176 A C -0.136 177.520 177.584 0.120 0.000 1.078 176 A CA 0.034 52.113 52.037 0.069 0.000 0.773 176 A CB -0.095 18.816 19.000 -0.148 0.000 1.023 176 A HN 0.388 8.538 8.150 -0.000 0.000 0.504 177 V N 1.690 121.717 119.914 0.190 0.000 2.540 177 V HA 0.392 4.513 4.120 0.002 0.000 0.302 177 V C -0.143 176.112 176.094 0.268 0.000 1.035 177 V CA -0.509 61.906 62.300 0.192 0.000 0.873 177 V CB 1.359 33.252 31.823 0.117 0.000 0.992 177 V HN 0.809 8.999 8.190 -0.000 0.000 0.428 178 L N 4.783 126.136 121.223 0.216 0.000 2.342 178 L HA 0.372 4.713 4.340 0.002 0.000 0.285 178 L C 0.588 177.449 176.870 -0.014 0.000 1.095 178 L CA 0.231 55.090 54.840 0.031 0.000 0.843 178 L CB 0.494 42.550 42.059 -0.005 0.000 1.201 178 L HN 0.754 8.984 8.230 -0.000 0.000 0.445 179 Q N 2.734 122.510 119.800 -0.040 0.000 2.471 179 Q HA 0.244 4.585 4.340 0.002 0.000 0.223 179 Q C 1.460 177.431 176.000 -0.049 0.000 1.045 179 Q CA 0.359 56.147 55.803 -0.026 0.000 0.956 179 Q CB 0.547 29.277 28.738 -0.013 0.000 1.249 179 Q HN 0.857 9.127 8.270 -0.000 0.000 0.549 180 S N 0.535 116.216 115.700 -0.032 0.000 2.507 180 S HA -0.119 4.352 4.470 0.002 0.000 0.235 180 S C 1.656 176.226 174.600 -0.050 0.000 0.988 180 S CA 1.312 59.492 58.200 -0.035 0.000 0.944 180 S CB -0.415 62.772 63.200 -0.022 0.000 0.762 180 S HN 0.590 8.900 8.310 -0.000 0.000 0.526 181 S N -0.725 114.940 115.700 -0.058 0.000 2.631 181 S HA 0.434 4.906 4.470 0.002 0.000 0.217 181 S C 1.657 176.191 174.600 -0.110 0.000 0.958 181 S CA 0.745 58.903 58.200 -0.070 0.000 0.920 181 S CB -0.345 62.823 63.200 -0.053 0.000 0.776 181 S HN 1.575 9.885 8.310 -0.000 0.000 0.517 182 G N -0.107 108.616 108.800 -0.128 0.000 2.245 182 G HA2 -0.235 3.726 3.960 0.002 0.000 0.264 182 G HA3 -0.235 3.726 3.960 0.002 0.000 0.264 182 G C 0.383 175.164 174.900 -0.197 0.000 0.985 182 G CA 0.410 45.404 45.100 -0.177 0.000 0.625 182 G HN 1.344 9.634 8.290 -0.000 0.000 0.536 183 L N -0.451 120.677 121.223 -0.158 0.000 2.421 183 L HA 0.880 5.221 4.340 0.002 0.000 0.263 183 L C 0.523 177.259 176.870 -0.224 0.000 1.122 183 L CA -1.225 53.543 54.840 -0.121 0.000 0.804 183 L CB 0.063 42.106 42.059 -0.026 0.000 1.150 183 L HN 0.313 8.543 8.230 -0.000 0.000 0.457 184 Y N 0.703 120.893 120.300 -0.184 0.000 2.453 184 Y HA 0.704 5.255 4.550 0.002 0.000 0.326 184 Y C 0.766 176.613 175.900 -0.089 0.000 1.186 184 Y CA 0.248 58.166 58.100 -0.303 0.000 1.200 184 Y CB 1.908 39.876 38.460 -0.821 0.000 1.247 184 Y HN 1.016 9.296 8.280 -0.000 0.000 0.482 185 S N 1.097 116.963 115.700 0.276 0.000 2.603 185 S HA 0.784 5.255 4.470 0.002 0.000 0.274 185 S C -1.451 173.301 174.600 0.252 0.000 1.168 185 S CA -0.481 57.898 58.200 0.298 0.000 0.963 185 S CB 0.521 63.823 63.200 0.171 0.000 1.078 185 S HN 0.973 9.283 8.310 -0.000 0.000 0.477 186 L N 1.759 123.133 121.223 0.253 0.000 2.476 186 L HA 0.947 5.288 4.340 0.002 0.000 0.269 186 L C 0.352 177.310 176.870 0.146 0.000 0.965 186 L CA -0.711 54.245 54.840 0.194 0.000 0.845 186 L CB 0.457 42.650 42.059 0.222 0.000 1.259 186 L HN 1.130 9.360 8.230 -0.000 0.000 0.403 187 S N 1.241 117.015 115.700 0.124 0.000 2.614 187 S HA 0.735 5.206 4.470 0.002 0.000 0.265 187 S C 0.582 175.374 174.600 0.320 0.000 1.303 187 S CA 0.067 58.345 58.200 0.131 0.000 1.000 187 S CB 1.388 64.552 63.200 -0.060 0.000 0.935 187 S HN 2.045 10.354 8.310 -0.000 0.000 0.551 188 S N -0.281 115.621 115.700 0.337 0.000 2.479 188 S HA 0.478 4.949 4.470 0.002 0.000 0.169 188 S C -0.692 174.215 174.600 0.512 0.000 1.181 188 S CA -0.561 57.889 58.200 0.416 0.000 1.169 188 S CB -0.520 62.829 63.200 0.249 0.000 1.384 188 S HN 1.161 9.471 8.310 -0.000 0.000 0.412 189 V N 3.436 123.634 119.914 0.473 0.000 2.509 189 V HA 0.947 5.068 4.120 0.002 0.000 0.284 189 V C 0.521 176.700 176.094 0.143 0.000 1.047 189 V CA 0.018 62.497 62.300 0.299 0.000 0.952 189 V CB 1.015 32.997 31.823 0.265 0.000 0.988 189 V HN 0.923 9.113 8.190 -0.000 0.000 0.469 190 V N 2.966 122.812 119.914 -0.113 0.000 3.177 190 V HA 0.883 5.004 4.120 0.002 0.000 0.319 190 V C 0.464 176.437 176.094 -0.201 0.000 1.125 190 V CA -0.845 61.273 62.300 -0.303 0.000 1.029 190 V CB 1.992 33.330 31.823 -0.809 0.000 1.119 190 V HN 0.726 8.916 8.190 -0.000 0.000 0.452 191 T N 1.349 115.794 114.554 -0.183 0.000 2.788 191 T HA 0.698 5.049 4.350 0.002 0.000 0.296 191 T C -0.843 173.791 174.700 -0.111 0.000 1.009 191 T CA -0.033 61.993 62.100 -0.123 0.000 0.949 191 T CB 0.444 69.257 68.868 -0.091 0.000 0.946 191 T HN 0.975 9.215 8.240 -0.000 0.000 0.453 203 I N 0.900 121.659 120.570 0.316 0.000 2.647 203 I HA 0.805 4.976 4.170 0.002 0.000 0.295 203 I C 0.181 176.403 176.117 0.175 0.000 1.078 203 I CA -1.338 60.101 61.300 0.232 0.000 1.048 203 I CB 0.947 39.012 38.000 0.110 0.000 1.239 203 I HN 1.955 10.165 8.210 -0.000 0.000 0.421 204 C N 2.667 121.902 119.300 -0.108 0.000 2.293 204 C HA 0.801 5.262 4.460 0.002 0.000 0.323 204 C C 0.689 175.478 174.990 -0.335 0.000 1.240 204 C CA -0.311 58.389 59.018 -0.531 0.000 1.497 204 C CB -0.397 26.556 27.740 -1.311 0.000 2.171 204 C HN 1.656 9.886 8.230 -0.000 0.000 0.465 205 N N 1.377 119.927 118.700 -0.249 0.000 2.605 205 N HA 0.458 5.199 4.740 0.002 0.000 0.282 205 N C -0.114 175.279 175.510 -0.196 0.000 1.206 205 N CA 0.627 53.576 53.050 -0.168 0.000 1.074 205 N CB 0.048 38.474 38.487 -0.101 0.000 1.434 205 N HN 1.822 10.202 8.380 -0.000 0.000 0.506 206 V N 1.090 120.886 119.914 -0.197 0.000 2.339 206 V HA 0.418 4.539 4.120 0.002 0.000 0.261 206 V C 0.370 176.390 176.094 -0.123 0.000 1.058 206 V CA -0.844 61.344 62.300 -0.187 0.000 0.897 206 V CB 0.210 31.908 31.823 -0.207 0.000 1.052 206 V HN 0.852 9.042 8.190 -0.000 0.000 0.480 207 N N 3.131 121.773 118.700 -0.097 0.000 2.362 207 N HA 0.431 5.172 4.740 0.002 0.000 0.298 207 N C -1.307 174.200 175.510 -0.005 0.000 1.048 207 N CA -0.510 52.512 53.050 -0.046 0.000 0.858 207 N CB 1.293 39.753 38.487 -0.045 0.000 1.218 207 N HN 0.826 9.206 8.380 -0.000 0.000 0.488 208 H N 2.916 121.937 119.070 -0.082 0.000 2.541 208 H HA 0.157 4.714 4.556 0.002 0.000 0.246 208 H C 0.807 176.129 175.328 -0.009 0.000 1.341 208 H CA 0.045 56.060 56.048 -0.056 0.000 1.469 208 H CB 0.705 30.427 29.762 -0.067 0.000 1.472 208 H HN 0.800 9.080 8.280 -0.000 0.000 0.503 209 K N 3.596 123.882 120.400 -0.189 0.000 2.074 209 K HA -0.074 4.247 4.320 0.002 0.000 0.209 209 K C -0.996 175.510 176.600 -0.156 0.000 1.048 209 K CA 1.412 57.619 56.287 -0.134 0.000 0.926 209 K CB -1.730 30.711 32.500 -0.098 0.000 0.713 209 K HN 0.529 8.779 8.250 -0.000 0.000 0.444 210 P HA -0.075 4.345 4.420 -0.000 0.000 0.230 210 P C 0.468 177.768 177.300 -0.001 0.000 1.158 210 P CA 1.696 64.697 63.100 -0.165 0.000 0.769 210 P CB 0.094 31.672 31.700 -0.204 0.000 0.807 211 S N -2.198 113.562 115.700 0.099 0.000 2.754 211 S HA 0.138 4.609 4.470 0.002 0.000 0.247 211 S C 0.349 175.044 174.600 0.158 0.000 1.031 211 S CA -0.683 57.660 58.200 0.240 0.000 1.014 211 S CB -1.380 62.072 63.200 0.419 0.000 0.918 211 S HN 0.019 8.329 8.310 -0.000 0.000 0.519 212 N N 1.581 120.334 118.700 0.087 0.000 2.696 212 N HA -0.125 4.616 4.740 0.002 0.000 0.271 212 N C -1.191 174.358 175.510 0.065 0.000 0.997 212 N CA 1.021 54.105 53.050 0.056 0.000 0.801 212 N CB -0.689 37.821 38.487 0.039 0.000 0.913 212 N HN 0.501 8.881 8.380 -0.000 0.000 0.557 213 T N 0.409 115.014 114.554 0.085 0.000 3.141 213 T HA 0.328 4.679 4.350 0.002 0.000 0.377 213 T C 0.246 174.967 174.700 0.035 0.000 1.258 213 T CA -0.605 61.534 62.100 0.065 0.000 1.263 213 T CB 1.123 70.041 68.868 0.084 0.000 1.066 213 T HN 0.407 8.647 8.240 -0.000 0.000 0.546 214 K N 1.030 121.436 120.400 0.011 0.000 2.234 214 K HA 0.862 5.183 4.320 0.002 0.000 0.282 214 K C -0.158 176.430 176.600 -0.019 0.000 1.039 214 K CA -0.554 55.726 56.287 -0.011 0.000 0.928 214 K CB 0.659 33.151 32.500 -0.013 0.000 1.039 214 K HN 1.143 9.393 8.250 -0.000 0.000 0.470 215 V N 1.937 121.828 119.914 -0.038 0.000 3.063 215 V HA 0.380 4.501 4.120 0.002 0.000 0.249 215 V C -1.269 174.790 176.094 -0.058 0.000 0.908 215 V CA -0.899 61.378 62.300 -0.040 0.000 0.966 215 V CB 0.971 32.773 31.823 -0.035 0.000 1.015 215 V HN 0.882 9.072 8.190 -0.000 0.000 0.512 216 D N 3.183 123.551 120.400 -0.054 0.000 2.233 216 D HA 0.718 5.359 4.640 0.002 0.000 0.240 216 D C 0.067 176.345 176.300 -0.036 0.000 1.074 216 D CA 0.275 54.234 54.000 -0.067 0.000 0.838 216 D CB 1.742 42.497 40.800 -0.075 0.000 1.124 216 D HN 0.886 9.256 8.370 -0.000 0.000 0.475 217 K N 0.322 120.702 120.400 -0.034 0.000 2.240 217 K HA 0.864 5.185 4.320 0.002 0.000 0.237 217 K C 0.310 176.932 176.600 0.036 0.000 1.027 217 K CA -0.271 56.018 56.287 0.003 0.000 0.937 217 K CB 0.030 32.535 32.500 0.008 0.000 1.171 217 K HN 0.840 9.090 8.250 -0.000 0.000 0.479 218 K N 0.000 120.434 120.400 0.056 0.000 2.780 218 K HA 0.000 4.321 4.320 0.002 0.000 0.191 218 K CA 0.000 56.338 56.287 0.086 0.000 0.838 218 K CB 0.000 32.537 32.500 0.062 0.000 1.064 218 K HN 0.000 8.250 8.250 -0.000 0.000 0.543