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 1o0l_1_A DATA FIRST_RESID -4 DATA SEQUENCE GPLGSMATPA SAPDTRALVA DFVGYKLRQK GYVCGAGPGE GPAADPLHQA DATA SEQUENCE MRAAGDEFET RFRRTFSDLA AQLHVTPGSA QQRFTQVSDE LFQGGPNWGR DATA SEQUENCE LVAFFVFGAA LCAESVNKEM EPLVGQVQEW MVEYLETRLA DWIHSSGGWA DATA SEQUENCE EFTALYGDGA LEEARRLREG NWASVRTVLT GAVALGAL 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 -4 G HA2 0.000 nan 3.960 nan 0.000 0.244 -4 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -4 G C 0.000 174.900 174.900 -0.000 0.000 0.946 -4 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 -3 P HA 0.035 4.455 4.420 0.000 0.000 0.214 -3 P C -0.478 176.823 177.300 0.000 0.000 1.162 -3 P CA 0.560 63.660 63.100 0.000 0.000 0.874 -3 P CB 0.565 32.265 31.700 0.000 0.000 0.784 -2 L N -3.302 117.921 121.223 0.000 0.000 2.778 -2 L HA 0.172 4.513 4.340 0.001 0.000 0.246 -2 L C 1.053 177.923 176.870 0.000 0.000 1.820 -2 L CA -0.671 54.169 54.840 0.000 0.000 1.986 -2 L CB 1.017 43.076 42.059 0.001 0.000 2.298 -2 L HN -0.749 7.481 8.230 0.000 0.000 0.580 -1 G N -1.776 107.024 108.800 0.000 0.000 5.005 -1 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.251 -1 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.251 -1 G C 1.183 176.083 174.900 -0.000 0.000 1.536 -1 G CA 1.060 46.160 45.100 -0.000 0.000 1.060 -1 G HN 0.234 8.524 8.290 0.000 0.000 0.683 0 S N 0.636 116.336 115.700 -0.000 0.000 2.474 0 S HA -0.184 4.286 4.470 -0.000 0.000 0.235 0 S C 0.905 175.506 174.600 0.000 0.000 0.997 0 S CA 2.465 60.665 58.200 0.000 0.000 0.949 0 S CB 0.158 63.358 63.200 0.000 0.000 0.766 0 S HN -0.270 8.040 8.310 -0.000 0.000 0.517 1 M N -0.244 119.356 119.600 0.001 0.000 2.576 1 M HA 0.094 4.575 4.480 0.001 0.000 0.322 1 M C -1.782 174.519 176.300 0.001 0.000 1.184 1 M CA -0.639 54.662 55.300 0.001 0.000 0.967 1 M CB 0.313 32.914 32.600 0.001 0.000 1.372 1 M HN -0.588 7.651 8.290 0.001 0.052 0.509 2 A N 0.366 123.186 122.820 0.001 0.000 2.402 2 A HA 0.387 4.708 4.320 0.002 0.000 0.291 2 A C -1.260 176.325 177.584 0.001 0.000 1.051 2 A CA -0.110 51.928 52.037 0.001 0.000 0.716 2 A CB 1.812 20.813 19.000 0.001 0.000 1.223 2 A HN -0.582 7.402 8.150 0.001 0.166 0.425 3 T N 0.596 115.150 114.554 0.001 0.000 2.902 3 T HA 0.374 4.724 4.350 0.000 0.000 0.283 3 T C -1.450 173.250 174.700 0.001 0.000 1.009 3 T CA -3.224 58.877 62.100 0.001 0.000 1.051 3 T CB -0.006 68.863 68.868 0.002 0.000 0.999 3 T HN -0.358 7.883 8.240 0.002 0.000 0.474 4 P HA 0.047 4.466 4.420 -0.002 0.000 0.267 4 P C -1.629 175.672 177.300 0.000 0.000 1.205 4 P CA -0.356 62.743 63.100 -0.002 0.000 0.765 4 P CB 0.621 32.319 31.700 -0.004 0.000 0.828 5 A N 2.427 125.247 122.820 0.002 0.000 2.340 5 A HA 0.240 4.563 4.320 0.005 0.000 0.331 5 A C -0.157 177.430 177.584 0.004 0.000 1.140 5 A CA -0.419 51.620 52.037 0.004 0.000 0.801 5 A CB 1.917 20.921 19.000 0.006 0.000 1.234 5 A HN -0.119 8.031 8.150 0.001 0.000 0.469 6 S N 0.912 116.616 115.700 0.007 0.000 3.454 6 S HA -0.315 4.161 4.470 0.011 0.000 0.508 6 S C -0.878 173.722 174.600 0.001 0.000 0.738 6 S CA -0.065 58.140 58.200 0.008 0.000 1.383 6 S CB -0.211 62.997 63.200 0.014 0.000 0.945 6 S HN 0.222 8.537 8.310 0.008 0.000 0.768 7 A N 4.038 126.857 122.820 -0.002 0.000 2.313 7 A HA 0.226 4.536 4.320 -0.018 0.000 0.261 7 A C -0.941 176.629 177.584 -0.023 0.000 1.090 7 A CA -1.115 50.914 52.037 -0.013 0.000 0.807 7 A CB 0.302 19.297 19.000 -0.008 0.000 1.055 7 A HN -0.060 8.092 8.150 0.003 0.000 0.492 8 P HA -0.054 4.328 4.420 -0.064 0.000 0.246 8 P C -1.849 175.403 177.300 -0.080 0.000 1.675 8 P CA -0.003 63.051 63.100 -0.077 0.000 0.908 8 P CB -1.813 29.810 31.700 -0.128 0.000 1.890 9 D N 0.601 120.971 120.400 -0.050 0.000 2.507 9 D HA 0.091 4.687 4.640 -0.073 0.000 0.280 9 D C 1.320 177.564 176.300 -0.093 0.000 1.219 9 D CA -0.437 53.530 54.000 -0.056 0.000 1.085 9 D CB 2.085 42.882 40.800 -0.005 0.000 1.134 9 D HN -0.030 8.219 8.370 -0.028 0.104 0.583 10 T N 1.652 116.162 114.554 -0.075 0.000 2.759 10 T HA -0.355 3.859 4.350 -0.228 0.000 0.269 10 T C 1.872 176.585 174.700 0.023 0.000 1.042 10 T CA 4.516 66.576 62.100 -0.067 0.000 1.140 10 T CB -0.514 68.388 68.868 0.055 0.000 0.864 10 T HN 0.481 8.706 8.240 -0.025 0.000 0.455 11 R N 1.715 122.237 120.500 0.037 0.000 2.096 11 R HA -0.450 3.935 4.340 0.075 0.000 0.235 11 R C 1.624 177.958 176.300 0.056 0.000 1.127 11 R CA 4.075 60.208 56.100 0.055 0.000 0.968 11 R CB -0.370 29.955 30.300 0.042 0.000 0.861 11 R HN 0.548 8.826 8.270 0.029 0.009 0.440 12 A N -2.100 120.742 122.820 0.037 0.000 1.968 12 A HA -0.122 4.237 4.320 0.066 0.000 0.217 12 A C 2.099 179.740 177.584 0.096 0.000 1.169 12 A CA 2.452 54.526 52.037 0.061 0.000 0.638 12 A CB -0.847 18.177 19.000 0.041 0.000 0.812 12 A HN -0.602 7.455 8.150 0.015 0.102 0.446 13 L N -0.712 120.533 121.223 0.036 0.000 2.072 13 L HA -0.121 4.240 4.340 0.035 0.000 0.205 13 L C 1.715 178.608 176.870 0.038 0.000 1.079 13 L CA 2.866 57.690 54.840 -0.027 0.000 0.752 13 L CB 0.262 42.168 42.059 -0.256 0.000 0.906 13 L HN -0.161 7.971 8.230 -0.014 0.090 0.436 14 V N -0.088 119.944 119.914 0.196 0.000 2.427 14 V HA -0.393 4.203 4.120 0.793 0.000 0.248 14 V C 1.161 177.407 176.094 0.254 0.000 1.051 14 V CA 2.427 64.981 62.300 0.424 0.000 1.048 14 V CB -0.551 31.482 31.823 0.350 0.000 0.666 14 V HN 0.557 8.720 8.190 0.142 0.112 0.456 15 A N -2.013 120.893 122.820 0.143 0.000 2.066 15 A HA -0.271 4.110 4.320 0.101 0.000 0.218 15 A C 1.047 178.682 177.584 0.086 0.000 1.157 15 A CA 2.817 54.916 52.037 0.102 0.000 0.670 15 A CB -0.634 18.412 19.000 0.076 0.000 0.804 15 A HN -0.296 7.915 8.150 0.123 0.012 0.453 16 D N -0.170 120.253 120.400 0.038 0.000 2.087 16 D HA -0.258 4.333 4.640 -0.081 0.000 0.201 16 D C 1.623 177.938 176.300 0.025 0.000 0.980 16 D CA 2.778 56.712 54.000 -0.109 0.000 0.849 16 D CB 0.079 40.538 40.800 -0.568 0.000 1.001 16 D HN -0.696 7.543 8.370 0.049 0.161 0.452 17 F N 0.471 120.360 119.950 -0.101 0.000 2.065 17 F HA -0.410 4.132 4.527 0.026 0.000 0.298 17 F C 1.800 177.688 175.800 0.147 0.000 1.112 17 F CA 3.635 61.657 58.000 0.037 0.000 1.212 17 F CB 0.063 39.098 39.000 0.058 0.000 0.975 17 F HN -0.452 7.926 8.300 0.130 0.000 0.476 18 V N -2.159 117.879 119.914 0.207 0.000 2.358 18 V HA -0.457 3.664 4.120 0.002 0.000 0.246 18 V C 2.076 178.207 176.094 0.062 0.000 1.047 18 V CA 4.608 66.960 62.300 0.087 0.000 1.035 18 V CB -0.612 31.282 31.823 0.119 0.000 0.658 18 V HN -0.376 8.014 8.190 0.333 0.000 0.452 19 G N -0.123 108.740 108.800 0.106 0.000 2.433 19 G HA2 -0.343 3.697 3.960 0.133 0.000 0.216 19 G HA3 -0.343 3.771 3.960 0.132 -0.075 0.216 19 G C 1.025 176.025 174.900 0.167 0.000 1.186 19 G CA 2.268 47.447 45.100 0.131 0.000 0.779 19 G HN -0.495 7.757 8.290 0.119 0.110 0.543 20 Y N 3.222 123.515 120.300 -0.013 0.000 2.128 20 Y HA -0.338 4.209 4.550 -0.005 0.000 0.284 20 Y C 2.355 178.227 175.900 -0.047 0.000 1.154 20 Y CA 1.622 59.706 58.100 -0.026 0.000 1.149 20 Y CB -0.167 38.275 38.460 -0.029 0.000 0.976 20 Y HN 0.559 8.862 8.280 0.234 0.117 0.505 21 K N -1.253 119.137 120.400 -0.017 0.000 2.025 21 K HA -0.328 3.914 4.320 -0.129 0.000 0.207 21 K C 2.612 179.193 176.600 -0.032 0.000 1.049 21 K CA 3.142 59.369 56.287 -0.101 0.000 0.933 21 K CB -0.008 32.373 32.500 -0.199 0.000 0.714 21 K HN -0.546 7.702 8.250 -0.004 0.000 0.438 22 L N -1.089 120.140 121.223 0.009 0.000 2.017 22 L HA -0.293 4.070 4.340 0.037 0.000 0.208 22 L C 2.890 179.811 176.870 0.085 0.000 1.073 22 L CA 3.218 58.090 54.840 0.055 0.000 0.745 22 L CB -0.322 41.784 42.059 0.078 0.000 0.894 22 L HN 0.285 8.414 8.230 0.010 0.108 0.432 23 R N -1.550 118.995 120.500 0.075 0.000 2.152 23 R HA -0.291 4.223 4.340 0.041 -0.149 0.232 23 R C 2.809 179.090 176.300 -0.032 0.000 1.117 23 R CA 3.030 59.148 56.100 0.030 0.000 0.981 23 R CB -0.238 30.082 30.300 0.034 0.000 0.870 23 R HN 0.380 8.586 8.270 0.084 0.115 0.451 24 Q N -2.842 116.917 119.800 -0.069 0.000 2.354 24 Q HA -0.094 4.180 4.340 -0.110 0.000 0.203 24 Q C 0.773 176.749 176.000 -0.040 0.000 0.933 24 Q CA 2.033 57.775 55.803 -0.101 0.000 0.901 24 Q CB 0.880 29.509 28.738 -0.181 0.000 1.007 24 Q HN -0.623 7.464 8.270 -0.065 0.144 0.495 25 K N -1.125 119.276 120.400 0.003 0.000 3.157 25 K HA 0.167 4.499 4.320 0.020 0.000 0.173 25 K C -1.497 175.140 176.600 0.062 0.000 1.127 25 K CA -0.602 55.707 56.287 0.037 0.000 0.849 25 K CB 0.241 32.784 32.500 0.071 0.000 1.038 25 K HN -0.579 7.564 8.250 0.009 0.113 0.603 26 G N 1.017 109.854 108.800 0.061 0.000 3.957 26 G HA2 -0.137 3.864 3.960 0.068 0.000 0.131 26 G HA3 -0.137 3.870 3.960 0.078 0.000 0.131 26 G C -0.427 174.562 174.900 0.150 0.000 2.236 26 G CA 0.588 45.738 45.100 0.084 0.000 1.096 26 G HN 0.151 8.468 8.290 0.045 0.000 0.322 27 Y N 5.150 125.439 120.300 -0.018 0.000 2.960 27 Y HA 0.209 4.749 4.550 -0.017 0.000 0.393 27 Y C -0.010 175.882 175.900 -0.013 0.000 1.118 27 Y CA -3.065 55.025 58.100 -0.017 0.000 1.850 27 Y CB -1.667 36.781 38.460 -0.019 0.000 1.827 27 Y HN 0.170 8.465 8.280 0.206 0.108 0.463 28 V N 2.276 122.174 119.914 -0.026 0.000 2.591 28 V HA -0.198 3.999 4.120 -0.085 -0.128 0.249 28 V C 0.190 176.188 176.094 -0.159 0.000 1.053 28 V CA 2.172 64.421 62.300 -0.085 0.000 1.068 28 V CB 0.499 32.296 31.823 -0.043 0.000 0.689 28 V HN -0.609 7.513 8.190 0.033 0.088 0.462 29 C N -0.892 118.306 119.300 -0.171 0.000 2.440 29 C HA -0.172 4.213 4.460 -0.125 0.000 0.278 29 C C 1.392 176.181 174.990 -0.335 0.000 1.295 29 C CA 2.176 61.086 59.018 -0.180 0.000 1.738 29 C CB -0.263 27.421 27.740 -0.094 0.000 1.987 29 C HN -0.226 7.939 8.230 -0.109 0.000 0.492 30 G N -0.216 108.131 108.800 -0.756 0.000 3.717 30 G HA2 0.000 3.612 3.960 -0.580 0.000 0.258 30 G HA3 0.000 2.533 3.960 -2.379 0.000 0.258 30 G C -1.353 173.143 174.900 -0.675 0.000 1.088 30 G CA -1.252 43.196 45.100 -1.086 0.000 1.737 30 G HN -0.185 7.490 8.290 -0.849 0.106 0.648 31 A N 0.914 123.538 122.820 -0.328 0.000 2.524 31 A HA -0.071 4.165 4.320 -0.139 0.000 0.250 31 A C -0.249 177.278 177.584 -0.094 0.000 1.078 31 A CA 1.010 52.952 52.037 -0.159 0.000 0.761 31 A CB 0.354 19.297 19.000 -0.095 0.000 1.012 31 A HN -0.749 7.150 8.150 -0.285 0.080 0.500 32 G N 2.626 111.410 108.800 -0.027 0.000 4.426 32 G HA2 -0.165 3.803 3.960 0.014 0.000 0.182 32 G HA3 -0.165 3.800 3.960 0.009 0.000 0.182 32 G C -1.286 173.648 174.900 0.056 0.000 1.373 32 G CA 0.704 45.813 45.100 0.015 0.000 0.879 32 G HN -0.040 8.246 8.290 -0.006 0.000 0.294 33 P HA -0.066 4.406 4.420 0.087 0.000 0.214 33 P C 0.333 177.699 177.300 0.110 0.000 1.163 33 P CA 1.715 64.878 63.100 0.104 0.000 0.883 33 P CB 0.203 31.987 31.700 0.139 0.000 0.788 34 G N -3.975 104.920 108.800 0.158 0.000 3.639 34 G HA2 0.183 4.277 3.960 0.224 0.000 0.279 34 G HA3 0.183 4.481 3.960 0.392 -0.103 0.279 34 G C -0.241 174.838 174.900 0.298 0.000 1.312 34 G CA -0.645 44.630 45.100 0.291 0.000 1.355 34 G HN 0.408 8.784 8.290 0.143 0.000 0.595 35 E N 0.596 120.882 120.200 0.144 0.000 2.385 35 E HA -0.038 4.396 4.350 0.140 0.000 0.194 35 E C 0.286 176.940 176.600 0.090 0.000 1.013 35 E CA 0.149 56.617 56.400 0.115 0.000 0.866 35 E CB 0.116 29.853 29.700 0.062 0.000 0.832 35 E HN -0.648 7.676 8.360 0.103 0.098 0.500 36 G N 0.931 109.744 108.800 0.021 0.000 2.420 36 G HA2 0.423 4.384 3.960 0.001 0.000 0.331 36 G HA3 0.423 4.384 3.960 0.002 0.000 0.331 36 G C -2.603 172.133 174.900 -0.274 0.000 1.168 36 G CA -2.623 42.454 45.100 -0.038 0.000 0.936 36 G HN -0.507 7.754 8.290 0.016 0.039 0.479 37 P HA 0.174 4.048 4.420 -0.910 0.000 0.341 37 P C -1.174 176.053 177.300 -0.122 0.000 1.297 37 P CA -1.281 61.621 63.100 -0.329 0.000 0.761 37 P CB 1.648 33.331 31.700 -0.028 0.000 1.574 38 A N -0.712 122.078 122.820 -0.050 0.000 2.539 38 A HA 0.030 4.421 4.320 0.118 0.000 0.306 38 A C -0.951 176.646 177.584 0.022 0.000 1.392 38 A CA -0.165 51.895 52.037 0.038 0.000 1.060 38 A CB -1.193 17.827 19.000 0.032 0.000 1.134 38 A HN 0.271 8.403 8.150 -0.030 0.000 0.542 39 A N 3.344 126.164 122.820 -0.000 0.000 2.295 39 A HA 0.163 4.455 4.320 -0.046 0.000 0.193 39 A C -0.302 177.198 177.584 -0.140 0.000 1.512 39 A CA 0.260 52.255 52.037 -0.070 0.000 1.103 39 A CB 1.314 20.269 19.000 -0.075 0.000 1.331 39 A HN 0.295 8.472 8.150 0.046 0.000 0.501 40 D N 0.242 120.479 120.400 -0.271 0.000 2.358 40 D HA 0.220 4.710 4.640 -0.249 0.000 0.244 40 D C -1.512 174.697 176.300 -0.152 0.000 1.163 40 D CA -1.456 52.356 54.000 -0.315 0.000 0.945 40 D CB 0.370 40.769 40.800 -0.669 0.000 1.152 40 D HN -0.307 7.861 8.370 -0.337 0.000 0.451 41 P HA 0.086 4.471 4.420 -0.058 0.000 0.228 41 P C -1.907 175.383 177.300 -0.018 0.000 1.748 41 P CA 0.286 63.351 63.100 -0.058 0.000 0.909 41 P CB -2.219 29.459 31.700 -0.037 0.000 1.882 42 L N -8.916 112.289 121.223 -0.029 0.000 2.899 42 L HA 0.210 4.597 4.340 0.079 0.000 0.329 42 L C 0.268 177.131 176.870 -0.011 0.000 1.061 42 L CA 2.373 57.222 54.840 0.015 0.000 1.569 42 L CB -0.735 41.274 42.059 -0.084 0.000 2.617 42 L HN -0.346 7.741 8.230 -0.046 0.114 0.549 43 H N 2.460 121.435 119.070 -0.158 0.000 2.253 43 H HA -0.220 4.359 4.556 -0.158 -0.118 0.296 43 H C 2.449 177.694 175.328 -0.138 0.000 1.074 43 H CA 4.395 60.353 56.048 -0.149 0.000 1.263 43 H CB 0.534 30.215 29.762 -0.135 0.000 1.363 43 H HN -0.036 8.191 8.280 0.077 0.099 0.489 44 Q N -2.480 117.331 119.800 0.018 0.000 2.297 44 Q HA -0.338 3.999 4.340 -0.004 0.000 0.208 44 Q C 1.987 177.901 176.000 -0.143 0.000 0.981 44 Q CA 2.920 58.698 55.803 -0.042 0.000 0.876 44 Q CB -0.700 28.012 28.738 -0.044 0.000 0.921 44 Q HN -0.486 7.807 8.270 0.038 0.000 0.446 45 A N -0.169 122.490 122.820 -0.268 0.000 1.854 45 A HA -0.234 3.712 4.320 -0.624 0.000 0.214 45 A C 1.522 178.703 177.584 -0.672 0.000 1.192 45 A CA 2.404 54.044 52.037 -0.662 0.000 0.611 45 A CB -0.542 17.923 19.000 -0.891 0.000 0.832 45 A HN -0.031 7.857 8.150 -0.189 0.149 0.442 46 M N -0.822 118.561 119.600 -0.361 0.000 2.175 46 M HA -0.504 3.899 4.480 -0.128 0.000 0.264 46 M C 1.664 177.790 176.300 -0.290 0.000 1.063 46 M CA 4.080 59.159 55.300 -0.368 0.000 1.119 46 M CB 0.256 32.442 32.600 -0.691 0.000 1.377 46 M HN 0.173 8.301 8.290 -0.271 0.000 0.415 47 R N -1.501 118.969 120.500 -0.050 0.000 2.091 47 R HA -0.301 4.340 4.340 0.503 0.000 0.238 47 R C 2.261 178.672 176.300 0.185 0.000 1.136 47 R CA 2.489 58.718 56.100 0.214 0.000 0.959 47 R CB -0.728 29.673 30.300 0.168 0.000 0.856 47 R HN 0.215 8.426 8.270 -0.097 0.000 0.437 48 A N -2.686 120.178 122.820 0.074 0.000 2.016 48 A HA -0.035 4.383 4.320 0.164 0.000 0.217 48 A C 1.755 179.396 177.584 0.096 0.000 1.162 48 A CA 2.342 54.453 52.037 0.124 0.000 0.662 48 A CB -0.790 18.307 19.000 0.162 0.000 0.812 48 A HN -0.607 7.523 8.150 -0.019 0.009 0.450 49 A N 0.070 122.915 122.820 0.040 0.000 1.832 49 A HA -0.326 3.981 4.320 -0.023 0.000 0.214 49 A C 1.705 179.387 177.584 0.163 0.000 1.200 49 A CA 2.955 55.039 52.037 0.080 0.000 0.610 49 A CB -0.554 18.607 19.000 0.269 0.000 0.842 49 A HN -0.441 7.566 8.150 -0.022 0.129 0.444 50 G N -1.526 107.434 108.800 0.267 0.000 2.513 50 G HA2 -0.517 3.724 3.960 0.468 0.000 0.219 50 G HA3 -0.517 4.030 3.960 0.979 0.000 0.219 50 G C 0.946 176.067 174.900 0.369 0.000 1.160 50 G CA 2.338 47.749 45.100 0.519 0.000 0.767 50 G HN 0.354 8.736 8.290 0.153 0.000 0.571 51 D N 1.550 122.128 120.400 0.298 0.000 2.092 51 D HA -0.334 4.427 4.640 0.202 0.000 0.193 51 D C 1.641 178.047 176.300 0.176 0.000 0.994 51 D CA 4.121 58.249 54.000 0.214 0.000 0.828 51 D CB 0.101 41.013 40.800 0.186 0.000 0.963 51 D HN -0.636 7.918 8.370 0.312 0.004 0.450 52 E N 0.023 120.322 120.200 0.165 0.000 2.051 52 E HA -0.308 4.109 4.350 0.111 0.000 0.192 52 E C 2.414 179.070 176.600 0.094 0.000 0.991 52 E CA 2.840 59.312 56.400 0.120 0.000 0.799 52 E CB -0.210 29.538 29.700 0.081 0.000 0.748 52 E HN -0.660 7.800 8.360 0.166 0.000 0.449 53 F N 0.182 120.108 119.950 -0.041 0.000 2.186 53 F HA -0.303 4.099 4.527 -0.208 0.000 0.299 53 F C 1.784 177.601 175.800 0.028 0.000 1.090 53 F CA 3.655 61.590 58.000 -0.108 0.000 1.307 53 F CB 0.473 39.368 39.000 -0.174 0.000 1.019 53 F HN 0.209 8.687 8.300 0.297 0.000 0.489 54 E N -1.253 119.104 120.200 0.262 0.000 2.153 54 E HA -0.364 4.181 4.350 0.324 0.000 0.194 54 E C 1.566 178.249 176.600 0.139 0.000 0.988 54 E CA 3.231 59.777 56.400 0.243 0.000 0.811 54 E CB -0.256 29.583 29.700 0.231 0.000 0.746 54 E HN 0.453 8.873 8.360 0.291 0.114 0.466 55 T N -1.172 113.430 114.554 0.080 0.000 3.014 55 T HA -0.097 4.277 4.350 0.040 0.000 0.263 55 T C 1.176 175.864 174.700 -0.020 0.000 1.078 55 T CA 3.205 65.326 62.100 0.034 0.000 1.135 55 T CB 0.206 69.097 68.868 0.038 0.000 0.895 55 T HN -0.663 7.510 8.240 0.093 0.123 0.480 56 R N -0.847 119.589 120.500 -0.108 0.000 2.189 56 R HA 0.040 4.292 4.340 -0.147 0.000 0.203 56 R C 0.359 176.568 176.300 -0.152 0.000 1.012 56 R CA 1.476 57.438 56.100 -0.229 0.000 1.015 56 R CB 1.190 31.181 30.300 -0.515 0.000 0.938 56 R HN -0.701 7.377 8.270 -0.115 0.124 0.472 57 F N 1.931 121.680 119.950 -0.335 0.000 2.423 57 F HA 0.130 4.491 4.527 -0.276 0.000 0.356 57 F C -0.703 175.062 175.800 -0.058 0.000 1.170 57 F CA -2.586 55.289 58.000 -0.209 0.000 1.163 57 F CB -0.355 38.603 39.000 -0.070 0.000 1.318 57 F HN 0.507 8.683 8.300 -0.024 0.110 0.569 58 R N 3.548 124.034 120.500 -0.023 0.000 2.339 58 R HA -0.142 4.190 4.340 -0.014 0.000 0.199 58 R C -0.292 175.943 176.300 -0.107 0.000 1.018 58 R CA 1.633 57.702 56.100 -0.053 0.000 1.036 58 R CB -0.047 30.223 30.300 -0.050 0.000 0.899 58 R HN -0.337 7.921 8.270 -0.020 0.000 0.473 59 R N -2.439 117.903 120.500 -0.264 0.000 2.513 59 R HA 0.252 4.522 4.340 -0.118 0.000 0.283 59 R C -1.266 174.874 176.300 -0.266 0.000 1.535 59 R CA -0.247 55.694 56.100 -0.265 0.000 1.315 59 R CB -0.149 29.956 30.300 -0.327 0.000 1.163 59 R HN -0.221 7.705 8.270 -0.429 0.087 0.573 60 T N 1.599 116.175 114.554 0.036 0.000 3.272 60 T HA 0.096 4.577 4.350 0.218 0.000 0.247 60 T C 0.549 175.379 174.700 0.216 0.000 0.990 60 T CA 0.733 62.972 62.100 0.233 0.000 1.213 60 T CB 0.645 69.790 68.868 0.461 0.000 1.124 60 T HN 0.004 8.295 8.240 0.085 0.000 0.401 61 F N 0.300 120.261 119.950 0.019 0.000 2.802 61 F HA 0.074 4.608 4.527 0.013 0.000 0.300 61 F C 0.974 176.762 175.800 -0.019 0.000 1.168 61 F CA 0.393 58.395 58.000 0.004 0.000 1.433 61 F CB -0.841 38.161 39.000 0.004 0.000 1.115 61 F HN 0.190 8.835 8.300 0.575 0.000 0.582 62 S N 0.762 116.528 115.700 0.111 0.000 2.345 62 S HA -0.234 4.276 4.470 0.068 0.000 0.219 62 S C 1.594 176.199 174.600 0.007 0.000 1.031 62 S CA 3.470 61.698 58.200 0.046 0.000 0.984 62 S CB -0.409 62.794 63.200 0.006 0.000 0.874 62 S HN -0.235 8.057 8.310 0.107 0.082 0.451 63 D N 2.971 123.345 120.400 -0.044 0.000 2.264 63 D HA -0.153 4.457 4.640 -0.050 0.000 0.208 63 D C 1.954 178.206 176.300 -0.081 0.000 0.966 63 D CA 3.199 57.151 54.000 -0.081 0.000 0.864 63 D CB -0.556 40.143 40.800 -0.169 0.000 0.933 63 D HN -0.036 8.302 8.370 -0.054 0.000 0.499 64 L N -0.644 120.522 121.223 -0.096 0.000 2.046 64 L HA -0.371 3.894 4.340 -0.126 0.000 0.208 64 L C 1.818 178.647 176.870 -0.068 0.000 1.077 64 L CA 3.456 58.223 54.840 -0.121 0.000 0.747 64 L CB -1.058 40.865 42.059 -0.226 0.000 0.896 64 L HN -0.588 7.464 8.230 -0.085 0.128 0.432 65 A N -3.003 119.798 122.820 -0.032 0.000 1.898 65 A HA -0.377 3.896 4.320 -0.078 0.000 0.214 65 A C 0.906 178.518 177.584 0.047 0.000 1.183 65 A CA 2.425 54.441 52.037 -0.035 0.000 0.622 65 A CB -1.027 17.951 19.000 -0.037 0.000 0.824 65 A HN 0.016 8.071 8.150 -0.014 0.087 0.444 66 A N -2.600 120.279 122.820 0.098 0.000 1.917 66 A HA -0.308 4.171 4.320 0.265 0.000 0.219 66 A C 3.002 180.642 177.584 0.094 0.000 1.182 66 A CA 2.553 54.670 52.037 0.135 0.000 0.633 66 A CB -0.336 18.691 19.000 0.046 0.000 0.819 66 A HN -0.021 8.055 8.150 0.055 0.107 0.448 67 Q N -2.030 117.792 119.800 0.036 0.000 2.016 67 Q HA -0.251 4.105 4.340 0.028 0.000 0.200 67 Q C 1.466 177.491 176.000 0.041 0.000 0.978 67 Q CA 2.949 58.768 55.803 0.028 0.000 0.833 67 Q CB 0.445 29.189 28.738 0.009 0.000 0.895 67 Q HN -0.266 8.005 8.270 0.010 0.005 0.427 68 L N -4.486 116.749 121.223 0.020 0.000 2.672 68 L HA 0.081 4.430 4.340 0.015 0.000 0.236 68 L C 0.452 177.333 176.870 0.018 0.000 1.186 68 L CA -1.574 53.270 54.840 0.005 0.000 0.977 68 L CB -2.264 39.774 42.059 -0.035 0.000 1.203 68 L HN -0.613 7.617 8.230 -0.000 0.000 0.448 69 H N 0.897 119.960 119.070 -0.013 0.000 2.372 69 H HA -0.164 4.388 4.556 -0.008 0.000 0.301 69 H C 1.395 176.718 175.328 -0.007 0.000 1.065 69 H CA 3.294 59.337 56.048 -0.009 0.000 1.364 69 H CB 0.709 30.465 29.762 -0.010 0.000 1.406 69 H HN -0.618 7.544 8.280 0.154 0.210 0.521 70 V N -3.490 116.514 119.914 0.150 0.000 2.391 70 V HA -0.008 4.164 4.120 0.087 0.000 0.237 70 V C 0.189 176.313 176.094 0.049 0.000 1.046 70 V CA 0.586 62.934 62.300 0.079 0.000 1.053 70 V CB 1.144 32.992 31.823 0.041 0.000 0.704 70 V HN -0.516 7.756 8.190 0.137 0.000 0.475 71 T N -0.589 113.988 114.554 0.038 0.000 3.003 71 T HA 0.353 4.715 4.350 0.020 0.000 0.354 71 T C -2.729 171.986 174.700 0.024 0.000 1.651 71 T CA -0.974 61.141 62.100 0.025 0.000 1.103 71 T CB 1.660 70.540 68.868 0.020 0.000 1.450 71 T HN -0.170 8.096 8.240 0.043 0.000 0.484 72 P HA 0.113 4.554 4.420 0.034 0.000 0.329 72 P C 0.669 177.995 177.300 0.042 0.000 1.319 72 P CA -0.228 62.889 63.100 0.027 0.000 0.742 72 P CB 1.029 32.734 31.700 0.008 0.000 1.564 73 G N -2.204 106.635 108.800 0.065 0.000 5.155 73 G HA2 -0.321 3.697 3.960 0.097 0.000 0.239 73 G HA3 -0.321 3.670 3.960 0.053 0.000 0.239 73 G C 0.812 175.769 174.900 0.096 0.000 1.409 73 G CA 0.919 46.067 45.100 0.080 0.000 0.927 73 G HN 0.301 8.630 8.290 0.066 0.000 0.710 74 S N 5.937 121.667 115.700 0.050 0.000 3.544 74 S HA -0.054 4.500 4.470 -0.003 -0.086 0.227 74 S C -0.892 173.716 174.600 0.013 0.000 1.387 74 S CA -0.330 57.880 58.200 0.015 0.000 1.182 74 S CB -0.897 62.304 63.200 0.002 0.000 1.243 74 S HN -0.111 8.173 8.310 0.040 0.050 0.467 75 A N 1.661 124.521 122.820 0.067 0.000 2.140 75 A HA 0.082 4.441 4.320 0.064 0.000 0.209 75 A C 0.943 178.431 177.584 -0.160 0.000 1.181 75 A CA 1.204 53.303 52.037 0.103 0.000 0.824 75 A CB 0.981 20.156 19.000 0.292 0.000 0.879 75 A HN 0.267 8.389 8.150 0.136 0.109 0.480 76 Q N -1.145 118.269 119.800 -0.643 0.000 2.119 76 Q HA -0.391 2.340 4.340 -2.681 0.000 0.201 76 Q C 2.309 177.932 176.000 -0.628 0.000 0.972 76 Q CA 3.232 58.135 55.803 -1.499 0.000 0.847 76 Q CB -0.823 27.040 28.738 -1.457 0.000 0.903 76 Q HN -0.347 7.742 8.270 -0.302 0.000 0.433 77 Q N -0.412 119.191 119.800 -0.327 0.000 2.079 77 Q HA -0.236 3.992 4.340 -0.186 0.000 0.200 77 Q C 2.409 178.342 176.000 -0.113 0.000 0.974 77 Q CA 3.558 59.254 55.803 -0.179 0.000 0.840 77 Q CB -0.788 27.883 28.738 -0.112 0.000 0.898 77 Q HN 0.326 8.428 8.270 -0.281 0.000 0.430 78 R N -0.100 120.355 120.500 -0.074 0.000 2.073 78 R HA -0.317 4.004 4.340 -0.032 0.000 0.234 78 R C 2.276 178.585 176.300 0.016 0.000 1.134 78 R CA 3.742 59.832 56.100 -0.018 0.000 0.952 78 R CB -0.218 30.091 30.300 0.015 0.000 0.850 78 R HN -0.246 7.972 8.270 -0.088 0.000 0.433 79 F N 0.172 120.043 119.950 -0.132 0.000 2.075 79 F HA -0.324 4.189 4.527 -0.023 0.000 0.297 79 F C 1.922 177.656 175.800 -0.111 0.000 1.113 79 F CA 3.658 61.617 58.000 -0.068 0.000 1.218 79 F CB 0.036 39.072 39.000 0.059 0.000 0.984 79 F HN 0.285 8.646 8.300 0.101 0.000 0.472 80 T N -0.845 113.665 114.554 -0.073 0.000 2.803 80 T HA -0.531 3.723 4.350 -0.160 0.000 0.269 80 T C 1.982 176.613 174.700 -0.115 0.000 1.052 80 T CA 4.263 66.292 62.100 -0.118 0.000 1.136 80 T CB -0.343 68.475 68.868 -0.083 0.000 0.864 80 T HN 0.463 8.532 8.240 -0.097 0.113 0.467 81 Q N 1.210 120.955 119.800 -0.092 0.000 1.993 81 Q HA -0.239 4.081 4.340 -0.034 0.000 0.202 81 Q C 2.688 178.640 176.000 -0.080 0.000 0.984 81 Q CA 2.850 58.617 55.803 -0.061 0.000 0.837 81 Q CB -0.462 28.248 28.738 -0.046 0.000 0.902 81 Q HN -0.253 7.856 8.270 -0.087 0.109 0.423 82 V N -3.469 116.377 119.914 -0.113 0.000 2.490 82 V HA -0.415 3.676 4.120 -0.048 0.000 0.250 82 V C 1.983 177.968 176.094 -0.181 0.000 1.061 82 V CA 3.628 65.869 62.300 -0.098 0.000 1.064 82 V CB -0.547 31.246 31.823 -0.050 0.000 0.670 82 V HN -0.575 7.545 8.190 -0.117 0.000 0.461 83 S N 1.205 116.699 115.700 -0.343 0.000 2.368 83 S HA -0.358 3.840 4.470 -0.453 0.000 0.224 83 S C 1.977 176.405 174.600 -0.286 0.000 1.029 83 S CA 4.728 62.615 58.200 -0.522 0.000 0.988 83 S CB -0.563 62.056 63.200 -0.968 0.000 0.838 83 S HN 0.122 8.115 8.310 -0.364 0.099 0.462 84 D N 1.868 122.214 120.400 -0.090 0.000 2.144 84 D HA -0.061 4.861 4.640 0.470 0.000 0.200 84 D C 2.155 178.538 176.300 0.139 0.000 0.978 84 D CA 2.903 57.018 54.000 0.192 0.000 0.833 84 D CB 0.238 41.138 40.800 0.168 0.000 0.961 84 D HN -0.305 7.984 8.370 -0.135 0.000 0.470 85 E N -1.821 118.397 120.200 0.029 0.000 2.204 85 E HA -0.298 4.067 4.350 0.024 0.000 0.194 85 E C 1.517 178.102 176.600 -0.025 0.000 0.989 85 E CA 2.158 58.562 56.400 0.006 0.000 0.824 85 E CB 0.115 29.807 29.700 -0.013 0.000 0.756 85 E HN -0.502 7.757 8.360 -0.016 0.092 0.477 86 L N -3.138 118.044 121.223 -0.068 0.000 2.179 86 L HA -0.158 4.039 4.340 -0.238 0.000 0.208 86 L C 0.747 177.645 176.870 0.047 0.000 1.096 86 L CA 2.535 57.256 54.840 -0.200 0.000 0.779 86 L CB 0.656 42.356 42.059 -0.599 0.000 0.922 86 L HN -0.483 7.556 8.230 -0.071 0.149 0.443 87 F N -2.708 117.304 119.950 0.104 0.000 2.727 87 F HA 0.017 4.651 4.527 0.179 0.000 0.302 87 F C 0.741 176.587 175.800 0.076 0.000 1.097 87 F CA 0.237 58.350 58.000 0.188 0.000 1.330 87 F CB 0.616 39.845 39.000 0.381 0.000 1.084 87 F HN -0.506 7.890 8.300 0.333 0.104 0.578 88 Q N 0.078 119.900 119.800 0.036 0.000 2.062 88 Q HA -0.219 4.137 4.340 0.027 0.000 0.209 88 Q C 0.598 176.512 176.000 -0.144 0.000 0.996 88 Q CA 2.275 58.061 55.803 -0.028 0.000 0.859 88 Q CB 0.443 29.173 28.738 -0.013 0.000 0.920 88 Q HN -0.518 7.607 8.270 0.079 0.192 0.415 89 G N -3.413 105.278 108.800 -0.183 0.000 4.579 89 G HA2 0.114 3.918 3.960 -0.260 0.000 0.237 89 G HA3 0.114 3.997 3.960 -0.128 0.000 0.237 89 G C -1.745 173.045 174.900 -0.183 0.000 2.441 89 G CA 0.012 44.995 45.100 -0.194 0.000 0.613 89 G HN -0.183 8.013 8.290 -0.157 0.000 0.284 90 G N -0.439 108.198 108.800 -0.272 0.000 3.813 90 G HA2 0.069 3.908 3.960 -0.202 0.000 0.234 90 G HA3 0.069 3.925 3.960 -0.174 0.000 0.234 90 G C -1.996 172.672 174.900 -0.387 0.000 3.831 90 G CA 0.355 45.304 45.100 -0.251 0.000 0.585 90 G HN -0.426 7.630 8.290 -0.391 0.000 0.267 91 P HA 0.090 4.443 4.420 -0.111 0.000 0.235 91 P C -1.647 174.668 177.300 -1.641 0.000 1.725 91 P CA -1.823 60.801 63.100 -0.794 0.000 0.894 91 P CB -1.308 29.912 31.700 -0.800 0.000 1.704 92 N N -0.320 117.760 118.700 -1.034 0.000 2.340 92 N HA -0.134 3.936 4.740 -1.117 0.000 0.236 92 N C 1.265 176.374 175.510 -0.669 0.000 1.296 92 N CA -0.116 52.435 53.050 -0.831 0.000 0.896 92 N CB 1.520 39.886 38.487 -0.203 0.000 1.127 92 N HN -0.382 7.503 8.380 -0.611 0.128 0.442 93 W N 0.113 121.310 121.300 -0.171 0.000 2.364 93 W HA -0.221 4.076 4.660 -0.604 0.000 0.281 93 W C 1.859 178.195 176.519 -0.306 0.000 1.219 93 W CA 1.818 58.945 57.345 -0.363 0.000 1.220 93 W CB -0.093 29.210 29.460 -0.262 0.000 1.127 93 W HN 0.502 8.335 8.180 -0.579 0.000 0.556 94 G N -2.332 106.496 108.800 0.046 0.000 2.408 94 G HA2 -0.328 3.692 3.960 0.100 0.000 0.217 94 G HA3 -0.328 3.765 3.960 0.222 0.000 0.217 94 G C 1.112 175.867 174.900 -0.242 0.000 1.150 94 G CA 1.435 46.567 45.100 0.054 0.000 0.776 94 G HN -0.291 8.004 8.290 0.070 0.037 0.542 95 R N 1.155 121.491 120.500 -0.274 0.000 2.173 95 R HA 0.105 4.088 4.340 -0.595 0.000 0.208 95 R C 1.827 177.924 176.300 -0.339 0.000 1.035 95 R CA -0.263 55.574 56.100 -0.439 0.000 1.004 95 R CB -0.457 29.604 30.300 -0.398 0.000 0.917 95 R HN -0.479 7.538 8.270 -0.222 0.119 0.462 96 L N -0.073 121.078 121.223 -0.120 0.000 2.129 96 L HA -0.272 4.435 4.340 0.611 0.000 0.212 96 L C 1.360 178.238 176.870 0.013 0.000 1.087 96 L CA 3.403 58.294 54.840 0.085 0.000 0.757 96 L CB -0.629 41.283 42.059 -0.246 0.000 0.896 96 L HN 0.406 8.297 8.230 -0.242 0.193 0.434 97 V N -1.427 118.310 119.914 -0.294 0.000 2.237 97 V HA -0.510 3.538 4.120 -0.120 0.000 0.245 97 V C 1.346 177.223 176.094 -0.361 0.000 1.046 97 V CA 4.112 66.206 62.300 -0.342 0.000 1.007 97 V CB -1.161 30.274 31.823 -0.647 0.000 0.638 97 V HN -0.650 7.265 8.190 -0.406 0.031 0.445 98 A N -0.907 121.409 122.820 -0.841 0.000 2.019 98 A HA -0.293 3.708 4.320 -0.532 0.000 0.219 98 A C 2.316 179.579 177.584 -0.535 0.000 1.164 98 A CA 2.755 54.318 52.037 -0.790 0.000 0.644 98 A CB -1.021 17.307 19.000 -1.120 0.000 0.805 98 A HN -0.272 7.172 8.150 -1.178 0.000 0.449 99 F N -0.919 118.823 119.950 -0.346 0.000 2.046 99 F HA -0.420 3.932 4.527 -0.292 0.000 0.297 99 F C 1.990 177.810 175.800 0.034 0.000 1.123 99 F CA 4.139 62.030 58.000 -0.181 0.000 1.199 99 F CB -0.253 38.692 39.000 -0.092 0.000 0.972 99 F HN -0.217 7.823 8.300 -0.220 0.128 0.474 100 F N -1.890 118.241 119.950 0.301 0.000 2.206 100 F HA -0.098 4.672 4.527 0.405 0.000 0.298 100 F C 2.493 178.582 175.800 0.483 0.000 1.090 100 F CA 3.630 61.869 58.000 0.397 0.000 1.323 100 F CB 0.320 39.531 39.000 0.352 0.000 1.028 100 F HN -0.672 8.010 8.300 0.637 0.000 0.492 101 V N 0.460 120.738 119.914 0.606 0.000 2.392 101 V HA -0.620 3.839 4.120 0.565 0.000 0.249 101 V C 1.630 178.024 176.094 0.500 0.000 1.059 101 V CA 5.100 67.716 62.300 0.525 0.000 1.051 101 V CB -0.164 31.905 31.823 0.410 0.000 0.658 101 V HN 0.573 9.044 8.190 0.469 0.000 0.455 102 F N 0.138 120.251 119.950 0.272 0.000 2.069 102 F HA -0.303 4.365 4.527 0.236 0.000 0.298 102 F C 2.477 178.459 175.800 0.303 0.000 1.113 102 F CA 2.153 60.313 58.000 0.266 0.000 1.214 102 F CB -1.011 38.110 39.000 0.202 0.000 0.978 102 F HN 0.261 8.698 8.300 0.423 0.117 0.474 103 G N -2.647 106.489 108.800 0.560 0.000 2.394 103 G HA2 -0.354 3.668 3.960 0.103 0.000 0.215 103 G HA3 -0.354 3.739 3.960 0.222 0.000 0.215 103 G C 0.568 175.524 174.900 0.094 0.000 1.165 103 G CA 1.313 46.561 45.100 0.248 0.000 0.784 103 G HN -0.570 8.089 8.290 0.615 0.000 0.535 104 A N 2.144 125.070 122.820 0.176 0.000 1.908 104 A HA -0.415 3.922 4.320 0.029 0.000 0.218 104 A C 1.616 179.184 177.584 -0.027 0.000 1.181 104 A CA 3.260 55.335 52.037 0.063 0.000 0.627 104 A CB -0.504 18.511 19.000 0.025 0.000 0.818 104 A HN 0.390 8.725 8.150 0.308 0.000 0.445 105 A N -1.877 120.939 122.820 -0.006 0.000 1.897 105 A HA -0.197 3.993 4.320 -0.217 0.000 0.215 105 A C 1.764 179.154 177.584 -0.324 0.000 1.181 105 A CA 2.677 54.590 52.037 -0.207 0.000 0.620 105 A CB -0.679 18.211 19.000 -0.182 0.000 0.821 105 A HN -0.057 8.163 8.150 0.116 0.000 0.443 106 L N -1.271 119.847 121.223 -0.176 0.000 2.012 106 L HA -0.430 3.771 4.340 -0.231 0.000 0.210 106 L C 2.103 178.854 176.870 -0.198 0.000 1.073 106 L CA 3.842 58.569 54.840 -0.188 0.000 0.748 106 L CB 0.042 42.028 42.059 -0.121 0.000 0.891 106 L HN -0.451 7.680 8.230 -0.051 0.069 0.431 107 C N -1.552 117.641 119.300 -0.179 0.000 2.413 107 C HA -0.452 3.881 4.460 -0.213 0.000 0.276 107 C C 1.918 176.820 174.990 -0.147 0.000 1.248 107 C CA 3.917 62.827 59.018 -0.180 0.000 1.742 107 C CB -1.999 25.646 27.740 -0.160 0.000 2.017 107 C HN 0.626 8.653 8.230 -0.147 0.115 0.481 108 A N 0.271 123.015 122.820 -0.128 0.000 1.859 108 A HA -0.398 3.901 4.320 -0.036 0.000 0.217 108 A C 2.005 179.547 177.584 -0.069 0.000 1.198 108 A CA 3.390 55.384 52.037 -0.073 0.000 0.629 108 A CB -0.879 18.099 19.000 -0.037 0.000 0.830 108 A HN -0.269 7.721 8.150 -0.140 0.076 0.446 109 E N -3.512 116.607 120.200 -0.136 0.000 2.338 109 E HA -0.262 4.080 4.350 -0.014 0.000 0.197 109 E C 1.660 178.208 176.600 -0.087 0.000 1.007 109 E CA 1.965 58.310 56.400 -0.091 0.000 0.849 109 E CB -0.119 29.490 29.700 -0.153 0.000 0.774 109 E HN -0.448 7.768 8.360 -0.240 0.000 0.506 110 S N -1.895 113.735 115.700 -0.117 0.000 2.414 110 S HA -0.223 4.187 4.470 -0.100 0.000 0.227 110 S C 0.861 175.398 174.600 -0.105 0.000 1.022 110 S CA 3.665 61.794 58.200 -0.117 0.000 0.958 110 S CB 0.061 63.167 63.200 -0.157 0.000 0.797 110 S HN -0.745 7.307 8.310 -0.139 0.175 0.493 111 V N -1.110 118.743 119.914 -0.102 0.000 2.871 111 V HA -0.251 3.797 4.120 -0.120 0.000 0.256 111 V C 0.801 176.877 176.094 -0.030 0.000 1.082 111 V CA 2.231 64.479 62.300 -0.087 0.000 1.105 111 V CB -0.952 30.823 31.823 -0.080 0.000 0.713 111 V HN -0.384 7.647 8.190 -0.102 0.098 0.473 112 N N -2.486 116.201 118.700 -0.021 0.000 2.398 112 N HA -0.084 4.662 4.740 0.011 0.000 0.188 112 N C -0.430 175.071 175.510 -0.014 0.000 1.122 112 N CA 1.351 54.401 53.050 -0.001 0.000 0.866 112 N CB 0.824 39.322 38.487 0.018 0.000 0.970 112 N HN -0.503 7.705 8.380 -0.034 0.151 0.462 113 K N -1.052 119.329 120.400 -0.032 0.000 2.047 113 K HA 0.192 4.496 4.320 -0.027 0.000 0.244 113 K C -1.362 175.214 176.600 -0.040 0.000 1.048 113 K CA -1.829 54.437 56.287 -0.036 0.000 0.871 113 K CB 2.821 35.294 32.500 -0.045 0.000 1.445 113 K HN -0.692 7.334 8.250 -0.044 0.198 0.514 114 E N 0.460 120.638 120.200 -0.038 0.000 2.392 114 E HA 0.069 4.398 4.350 -0.035 0.000 0.307 114 E C -1.201 175.372 176.600 -0.046 0.000 1.505 114 E CA 1.356 57.735 56.400 -0.036 0.000 1.716 114 E CB -2.037 27.648 29.700 -0.025 0.000 1.450 114 E HN 0.409 8.748 8.360 -0.036 0.000 0.484 115 M N -1.218 118.343 119.600 -0.065 0.000 3.320 115 M HA 0.085 4.524 4.480 -0.068 0.000 0.414 115 M C -0.388 175.841 176.300 -0.118 0.000 1.553 115 M CA -0.890 54.361 55.300 -0.083 0.000 0.742 115 M CB 0.430 32.978 32.600 -0.087 0.000 1.434 115 M HN -0.490 7.678 8.290 -0.068 0.081 0.505 116 E N 2.014 122.147 120.200 -0.111 0.000 2.017 116 E HA -0.233 4.008 4.350 -0.181 0.000 0.193 116 E C 0.520 177.022 176.600 -0.163 0.000 0.997 116 E CA 4.587 60.899 56.400 -0.146 0.000 0.804 116 E CB -2.361 27.269 29.700 -0.116 0.000 0.757 116 E HN 0.337 8.646 8.360 -0.085 0.000 0.448 117 P HA -0.143 4.198 4.420 -0.132 0.000 0.220 117 P C 0.636 177.833 177.300 -0.172 0.000 1.148 117 P CA 2.260 65.284 63.100 -0.127 0.000 0.803 117 P CB -0.437 31.216 31.700 -0.079 0.000 0.782 118 L N -5.024 116.094 121.223 -0.175 0.000 2.201 118 L HA -0.230 3.968 4.340 -0.237 0.000 0.212 118 L C 1.485 178.121 176.870 -0.391 0.000 1.105 118 L CA 1.974 56.669 54.840 -0.242 0.000 0.775 118 L CB -1.068 40.896 42.059 -0.158 0.000 0.913 118 L HN -0.103 7.924 8.230 -0.140 0.119 0.440 119 V N -0.714 119.009 119.914 -0.318 0.000 2.255 119 V HA -0.434 3.474 4.120 -0.354 0.000 0.247 119 V C 2.080 177.947 176.094 -0.379 0.000 1.051 119 V CA 4.236 66.333 62.300 -0.337 0.000 1.018 119 V CB -0.637 31.015 31.823 -0.285 0.000 0.641 119 V HN -0.672 7.228 8.190 -0.255 0.136 0.445 120 G N -3.261 105.345 108.800 -0.323 0.000 2.432 120 G HA2 -0.316 3.497 3.960 -0.246 0.000 0.219 120 G HA3 -0.316 3.509 3.960 -0.225 0.000 0.219 120 G C 1.379 176.027 174.900 -0.420 0.000 1.135 120 G CA 1.835 46.760 45.100 -0.291 0.000 0.767 120 G HN -0.129 7.992 8.290 -0.282 0.000 0.550 121 Q N 1.968 121.415 119.800 -0.588 0.000 2.020 121 Q HA -0.297 3.650 4.340 -0.655 0.000 0.202 121 Q C 2.768 177.668 176.000 -1.832 0.000 0.982 121 Q CA 2.766 57.964 55.803 -1.008 0.000 0.838 121 Q CB -0.616 27.597 28.738 -0.876 0.000 0.899 121 Q HN -0.664 7.196 8.270 -0.499 0.111 0.423 122 V N 0.446 119.348 119.914 -1.687 0.000 2.469 122 V HA -0.556 2.571 4.120 -1.654 0.000 0.251 122 V C 2.206 177.907 176.094 -0.656 0.000 1.064 122 V CA 4.112 65.605 62.300 -1.345 0.000 1.066 122 V CB -0.663 30.587 31.823 -0.956 0.000 0.667 122 V HN 0.174 7.586 8.190 -1.297 0.000 0.461 123 Q N -0.078 119.428 119.800 -0.491 0.000 2.050 123 Q HA -0.395 3.850 4.340 -0.159 0.000 0.202 123 Q C 2.048 177.959 176.000 -0.149 0.000 0.980 123 Q CA 3.759 59.422 55.803 -0.234 0.000 0.840 123 Q CB 0.021 28.652 28.738 -0.179 0.000 0.898 123 Q HN -0.114 7.710 8.270 -0.563 0.108 0.424 124 E N 0.010 120.089 120.200 -0.202 0.000 2.107 124 E HA -0.271 4.080 4.350 0.000 0.000 0.191 124 E C 2.361 179.037 176.600 0.127 0.000 0.982 124 E CA 2.705 59.081 56.400 -0.041 0.000 0.809 124 E CB -0.639 29.041 29.700 -0.034 0.000 0.756 124 E HN -0.074 8.000 8.360 -0.349 0.076 0.459 125 W N -0.492 120.819 121.300 0.019 0.000 2.342 125 W HA -0.250 4.483 4.660 0.121 0.000 0.297 125 W C 2.573 179.209 176.519 0.195 0.000 1.213 125 W CA 1.487 58.899 57.345 0.111 0.000 1.251 125 W CB -0.795 28.734 29.460 0.115 0.000 1.136 125 W HN 0.580 8.468 8.180 -0.299 0.112 0.526 126 M N -0.051 119.755 119.600 0.343 0.000 2.081 126 M HA -0.448 4.244 4.480 0.353 0.000 0.261 126 M C 2.078 178.432 176.300 0.091 0.000 1.075 126 M CA 4.373 59.812 55.300 0.231 0.000 1.133 126 M CB 0.108 32.749 32.600 0.068 0.000 1.330 126 M HN -0.246 8.142 8.290 0.182 0.012 0.414 127 V N -0.237 119.712 119.914 0.057 0.000 2.490 127 V HA -0.604 3.553 4.120 0.061 0.000 0.250 127 V C 1.553 177.707 176.094 0.101 0.000 1.061 127 V CA 4.332 66.675 62.300 0.072 0.000 1.064 127 V CB -0.057 31.811 31.823 0.074 0.000 0.670 127 V HN 0.076 8.293 8.190 0.045 0.000 0.461 128 E N 0.194 120.471 120.200 0.129 0.000 2.046 128 E HA -0.336 4.059 4.350 0.076 0.000 0.190 128 E C 2.242 178.891 176.600 0.081 0.000 0.982 128 E CA 3.430 59.896 56.400 0.109 0.000 0.800 128 E CB -0.004 29.778 29.700 0.136 0.000 0.756 128 E HN 0.287 8.619 8.360 0.157 0.122 0.449 129 Y N 1.186 121.495 120.300 0.015 0.000 2.207 129 Y HA -0.371 4.122 4.550 -0.094 0.000 0.287 129 Y C 2.018 177.812 175.900 -0.177 0.000 1.156 129 Y CA 3.690 61.745 58.100 -0.076 0.000 1.182 129 Y CB 0.148 38.589 38.460 -0.033 0.000 0.979 129 Y HN -0.544 7.919 8.280 0.305 0.000 0.521 130 L N -1.678 119.582 121.223 0.062 0.000 2.023 130 L HA -0.450 3.830 4.340 -0.100 0.000 0.205 130 L C 2.035 178.925 176.870 0.032 0.000 1.073 130 L CA 4.024 58.868 54.840 0.007 0.000 0.745 130 L CB 0.002 42.121 42.059 0.100 0.000 0.900 130 L HN 0.143 8.435 8.230 0.126 0.014 0.435 131 E N -1.623 118.622 120.200 0.074 0.000 2.160 131 E HA -0.302 4.144 4.350 0.160 0.000 0.195 131 E C 1.992 178.602 176.600 0.017 0.000 0.991 131 E CA 2.959 59.413 56.400 0.089 0.000 0.810 131 E CB -0.080 29.670 29.700 0.084 0.000 0.742 131 E HN 0.094 8.395 8.360 0.084 0.110 0.466 132 T N -1.943 112.568 114.554 -0.072 0.000 2.937 132 T HA -0.094 4.214 4.350 -0.070 0.000 0.260 132 T C 0.706 175.286 174.700 -0.200 0.000 1.051 132 T CA 2.535 64.557 62.100 -0.130 0.000 1.141 132 T CB 0.408 69.168 68.868 -0.179 0.000 0.879 132 T HN -0.194 7.975 8.240 -0.083 0.021 0.459 133 R N -2.138 118.151 120.500 -0.351 0.000 2.428 133 R HA 0.276 4.501 4.340 -0.192 0.000 0.193 133 R C 1.334 177.464 176.300 -0.284 0.000 0.852 133 R CA 0.884 56.712 56.100 -0.454 0.000 1.055 133 R CB 1.158 30.772 30.300 -1.142 0.000 1.343 133 R HN -0.458 7.584 8.270 -0.380 0.000 0.655 134 L N 0.841 121.858 121.223 -0.343 0.000 2.012 134 L HA -0.228 4.110 4.340 -0.003 0.000 0.210 134 L C 1.774 178.711 176.870 0.110 0.000 1.073 134 L CA 2.845 57.614 54.840 -0.118 0.000 0.748 134 L CB -0.841 41.069 42.059 -0.249 0.000 0.891 134 L HN -0.608 7.360 8.230 -0.436 0.000 0.431 135 A N -1.660 121.262 122.820 0.171 0.000 1.948 135 A HA -0.465 4.072 4.320 0.362 0.000 0.220 135 A C 1.468 179.273 177.584 0.367 0.000 1.177 135 A CA 3.852 56.094 52.037 0.342 0.000 0.636 135 A CB -1.144 18.095 19.000 0.398 0.000 0.815 135 A HN 0.697 8.799 8.150 0.115 0.117 0.449 136 D N -1.000 119.545 120.400 0.242 0.000 2.084 136 D HA -0.256 4.494 4.640 0.183 0.000 0.194 136 D C 1.366 177.788 176.300 0.203 0.000 0.990 136 D CA 3.820 57.940 54.000 0.201 0.000 0.826 136 D CB -0.131 40.756 40.800 0.145 0.000 0.971 136 D HN -0.636 7.736 8.370 0.170 0.100 0.453 137 W N 0.364 121.689 121.300 0.041 0.000 2.335 137 W HA -0.391 4.239 4.660 -0.050 0.000 0.311 137 W C 1.977 178.394 176.519 -0.170 0.000 1.213 137 W CA 3.928 61.236 57.345 -0.061 0.000 1.274 137 W CB 0.245 29.663 29.460 -0.070 0.000 1.148 137 W HN -0.781 7.651 8.180 0.419 0.000 0.498 138 I N -1.067 119.600 120.570 0.162 0.000 2.163 138 I HA -0.780 3.130 4.170 -0.433 0.000 0.243 138 I C 1.752 177.753 176.117 -0.193 0.000 1.085 138 I CA 5.014 66.223 61.300 -0.152 0.000 1.347 138 I CB -0.337 37.489 38.000 -0.291 0.000 1.044 138 I HN 0.255 8.670 8.210 0.342 0.000 0.408 139 H N -1.105 117.937 119.070 -0.048 0.000 2.387 139 H HA -0.299 4.282 4.556 0.041 0.000 0.299 139 H C 2.045 177.327 175.328 -0.078 0.000 1.090 139 H CA 3.672 59.716 56.048 -0.006 0.000 1.332 139 H CB -0.013 29.776 29.762 0.044 0.000 1.386 139 H HN 0.272 8.536 8.280 0.161 0.113 0.516 140 S N -2.621 113.051 115.700 -0.046 0.000 2.414 140 S HA -0.086 4.351 4.470 -0.055 0.000 0.227 140 S C 1.111 175.554 174.600 -0.261 0.000 1.022 140 S CA 2.119 60.239 58.200 -0.133 0.000 0.958 140 S CB 0.557 63.669 63.200 -0.147 0.000 0.797 140 S HN -0.400 7.882 8.310 -0.046 0.000 0.493 141 S N 0.919 116.319 115.700 -0.500 0.000 2.335 141 S HA -0.138 4.012 4.470 -0.534 0.000 0.216 141 S C 0.855 175.356 174.600 -0.164 0.000 1.032 141 S CA 2.785 60.640 58.200 -0.575 0.000 1.000 141 S CB 0.939 63.339 63.200 -1.335 0.000 0.928 141 S HN 0.023 7.885 8.310 -0.605 0.085 0.434 142 G N -4.172 104.622 108.800 -0.010 0.000 4.260 142 G HA2 0.117 4.089 3.960 0.021 0.000 0.164 142 G HA3 0.117 4.152 3.960 0.126 0.000 0.164 142 G C -1.430 173.511 174.900 0.068 0.000 0.955 142 G CA 0.034 45.177 45.100 0.072 0.000 0.797 142 G HN -0.435 7.829 8.290 -0.043 0.000 0.516 143 G N -0.142 108.716 108.800 0.098 0.000 2.707 143 G HA2 -0.337 3.609 3.960 -0.124 0.000 0.686 143 G HA3 -0.337 3.634 3.960 0.018 0.000 0.686 143 G C -1.149 173.768 174.900 0.029 0.000 1.315 143 G CA -0.720 44.388 45.100 0.013 0.000 0.832 143 G HN -0.356 8.013 8.290 0.133 0.000 0.573 144 W N 0.242 121.578 121.300 0.059 0.000 2.392 144 W HA -0.437 4.320 4.660 0.161 0.000 0.279 144 W C 1.106 177.600 176.519 -0.042 0.000 1.225 144 W CA 3.664 61.049 57.345 0.067 0.000 1.233 144 W CB -0.212 29.285 29.460 0.061 0.000 1.122 144 W HN 0.411 8.716 8.180 0.209 0.000 0.561 145 A N -1.963 120.942 122.820 0.142 0.000 1.933 145 A HA -0.286 4.056 4.320 0.038 0.000 0.218 145 A C 1.747 179.295 177.584 -0.060 0.000 1.175 145 A CA 2.592 54.651 52.037 0.035 0.000 0.628 145 A CB -0.800 18.221 19.000 0.033 0.000 0.814 145 A HN 0.119 8.339 8.150 0.166 0.029 0.444 146 E N -0.446 119.679 120.200 -0.124 0.000 2.077 146 E HA -0.297 3.976 4.350 -0.129 0.000 0.193 146 E C 1.848 178.226 176.600 -0.371 0.000 0.989 146 E CA 2.748 59.017 56.400 -0.220 0.000 0.800 146 E CB -0.355 29.231 29.700 -0.190 0.000 0.746 146 E HN -0.536 7.641 8.360 -0.087 0.131 0.452 147 F N -0.168 119.285 119.950 -0.828 0.000 2.216 147 F HA -0.148 3.809 4.527 -0.951 0.000 0.300 147 F C 1.234 176.861 175.800 -0.289 0.000 1.085 147 F CA 1.712 59.242 58.000 -0.784 0.000 1.326 147 F CB 0.008 38.533 39.000 -0.792 0.000 1.027 147 F HN -0.676 7.201 8.300 -0.578 0.076 0.497 148 T N 0.955 115.365 114.554 -0.239 0.000 2.951 148 T HA -0.337 3.794 4.350 -0.365 0.000 0.268 148 T C 1.156 175.754 174.700 -0.171 0.000 1.073 148 T CA 3.540 65.499 62.100 -0.235 0.000 1.134 148 T CB -0.798 68.002 68.868 -0.113 0.000 0.884 148 T HN -0.068 7.980 8.240 -0.126 0.116 0.479 149 A N 1.182 123.919 122.820 -0.138 0.000 1.984 149 A HA -0.119 4.149 4.320 -0.087 0.000 0.214 149 A C 1.479 179.014 177.584 -0.081 0.000 1.173 149 A CA 2.368 54.347 52.037 -0.096 0.000 0.673 149 A CB -0.516 18.440 19.000 -0.075 0.000 0.830 149 A HN -0.431 7.478 8.150 -0.151 0.150 0.453 150 L N -1.571 119.606 121.223 -0.076 0.000 1.989 150 L HA -0.374 3.986 4.340 0.034 0.000 0.211 150 L C 1.561 178.499 176.870 0.113 0.000 1.071 150 L CA 3.858 58.722 54.840 0.042 0.000 0.749 150 L CB 0.700 42.818 42.059 0.099 0.000 0.890 150 L HN -0.113 7.946 8.230 -0.134 0.090 0.431 151 Y N -5.626 114.583 120.300 -0.151 0.000 2.696 151 Y HA 0.051 4.569 4.550 -0.053 0.000 0.255 151 Y C -0.536 175.268 175.900 -0.160 0.000 1.103 151 Y CA -0.462 57.566 58.100 -0.120 0.000 1.126 151 Y CB 0.648 39.053 38.460 -0.092 0.000 1.197 151 Y HN -0.611 7.647 8.280 -0.036 0.000 0.574 152 G N 0.330 109.077 108.800 -0.089 0.000 3.227 152 G HA2 0.060 3.970 3.960 -0.083 0.000 0.171 152 G HA3 0.060 4.174 3.960 -0.111 -0.222 0.171 152 G C -0.294 174.560 174.900 -0.077 0.000 1.463 152 G CA -0.470 44.573 45.100 -0.094 0.000 1.016 152 G HN -0.931 7.300 8.290 -0.098 0.000 0.594 153 D N 2.215 122.575 120.400 -0.067 0.000 2.097 153 D HA -0.131 4.480 4.640 -0.048 0.000 0.197 153 D C 2.172 178.436 176.300 -0.061 0.000 0.984 153 D CA 2.074 56.042 54.000 -0.054 0.000 0.826 153 D CB 0.320 41.094 40.800 -0.044 0.000 0.973 153 D HN 0.022 8.351 8.370 -0.069 0.000 0.460 154 G N -0.289 108.472 108.800 -0.065 0.000 3.709 154 G HA2 0.118 4.044 3.960 -0.057 0.000 0.272 154 G HA3 0.118 4.046 3.960 -0.054 0.000 0.272 154 G C -1.448 173.403 174.900 -0.082 0.000 1.259 154 G CA -0.976 44.086 45.100 -0.063 0.000 1.512 154 G HN 0.226 8.477 8.290 -0.065 0.000 0.625 155 A N 3.622 126.374 122.820 -0.115 0.000 3.037 155 A HA 0.283 4.774 4.320 -0.158 -0.265 0.272 155 A C -0.535 176.951 177.584 -0.163 0.000 1.723 155 A CA -1.174 50.755 52.037 -0.181 0.000 1.413 155 A CB -0.942 17.875 19.000 -0.305 0.000 1.112 155 A HN -0.383 7.612 8.150 -0.108 0.090 0.606 156 L N 1.773 122.936 121.223 -0.101 0.000 2.476 156 L HA -0.069 4.230 4.340 -0.069 0.000 0.264 156 L C 0.840 177.667 176.870 -0.072 0.000 1.224 156 L CA -0.307 54.490 54.840 -0.071 0.000 0.821 156 L CB 0.589 42.623 42.059 -0.041 0.000 1.101 156 L HN -0.545 7.589 8.230 -0.083 0.046 0.488 157 E N -0.740 119.432 120.200 -0.047 0.000 2.160 157 E HA -0.509 3.816 4.350 -0.041 0.000 0.195 157 E C 1.872 178.472 176.600 0.000 0.000 0.991 157 E CA 3.282 59.666 56.400 -0.027 0.000 0.810 157 E CB -0.717 28.977 29.700 -0.011 0.000 0.742 157 E HN 0.599 8.936 8.360 -0.039 0.000 0.466 158 E N -1.347 118.855 120.200 0.003 0.000 2.106 158 E HA -0.233 4.134 4.350 0.029 0.000 0.192 158 E C 1.930 178.557 176.600 0.045 0.000 0.984 158 E CA 2.953 59.367 56.400 0.023 0.000 0.806 158 E CB -0.538 29.172 29.700 0.017 0.000 0.750 158 E HN 0.541 8.872 8.360 -0.007 0.024 0.458 159 A N -0.897 121.942 122.820 0.031 0.000 1.930 159 A HA -0.205 4.170 4.320 0.090 0.000 0.217 159 A C 2.314 179.985 177.584 0.145 0.000 1.175 159 A CA 2.819 54.897 52.037 0.069 0.000 0.627 159 A CB -0.623 18.390 19.000 0.022 0.000 0.815 159 A HN -0.662 7.403 8.150 0.001 0.087 0.443 160 R N -1.889 118.654 120.500 0.072 0.000 2.062 160 R HA -0.332 4.271 4.340 0.438 0.000 0.231 160 R C 2.546 179.004 176.300 0.263 0.000 1.136 160 R CA 3.668 59.873 56.100 0.174 0.000 0.948 160 R CB 0.110 30.384 30.300 -0.043 0.000 0.845 160 R HN -0.193 7.978 8.270 -0.009 0.094 0.430 161 R N -1.825 118.764 120.500 0.148 0.000 2.152 161 R HA -0.237 4.189 4.340 0.144 0.000 0.232 161 R C 2.137 178.511 176.300 0.122 0.000 1.117 161 R CA 2.938 59.113 56.100 0.124 0.000 0.981 161 R CB -0.815 29.527 30.300 0.071 0.000 0.870 161 R HN -0.097 8.230 8.270 0.096 0.000 0.451 162 L N 0.474 121.783 121.223 0.142 0.000 2.017 162 L HA -0.359 4.042 4.340 0.100 0.000 0.208 162 L C 1.913 178.899 176.870 0.194 0.000 1.073 162 L CA 3.266 58.193 54.840 0.145 0.000 0.745 162 L CB -0.271 41.881 42.059 0.155 0.000 0.894 162 L HN -0.089 8.103 8.230 0.143 0.124 0.432 163 R N -1.531 119.142 120.500 0.288 0.000 2.096 163 R HA -0.443 4.107 4.340 0.349 0.000 0.235 163 R C 2.215 178.725 176.300 0.350 0.000 1.127 163 R CA 3.747 60.057 56.100 0.351 0.000 0.968 163 R CB -0.252 30.285 30.300 0.396 0.000 0.861 163 R HN -0.448 8.013 8.270 0.318 0.000 0.440 164 E N -1.265 119.108 120.200 0.289 0.000 2.047 164 E HA -0.271 4.340 4.350 0.434 0.000 0.191 164 E C 2.519 178.869 176.600 -0.417 0.000 0.987 164 E CA 3.152 59.622 56.400 0.116 0.000 0.799 164 E CB -0.109 29.712 29.700 0.201 0.000 0.752 164 E HN -0.452 7.998 8.360 0.294 0.086 0.449 165 G N -2.330 106.365 108.800 -0.176 0.000 2.443 165 G HA2 -0.288 3.482 3.960 -0.317 0.000 0.219 165 G HA3 -0.288 3.607 3.960 -0.109 0.000 0.219 165 G C 1.455 176.235 174.900 -0.201 0.000 1.131 165 G CA 1.790 46.760 45.100 -0.216 0.000 0.775 165 G HN 0.383 8.547 8.290 -0.028 0.109 0.547 166 N N 3.068 121.722 118.700 -0.075 0.000 2.092 166 N HA -0.121 4.625 4.740 0.010 0.000 0.189 166 N C 1.842 177.362 175.510 0.017 0.000 1.040 166 N CA 2.319 55.382 53.050 0.021 0.000 0.845 166 N CB 0.211 38.793 38.487 0.158 0.000 1.017 166 N HN -0.258 7.992 8.380 -0.008 0.126 0.426 167 W N -1.567 119.772 121.300 0.066 0.000 2.392 167 W HA -0.367 4.299 4.660 0.010 0.000 0.279 167 W C 1.519 178.062 176.519 0.040 0.000 1.225 167 W CA 2.020 59.395 57.345 0.050 0.000 1.233 167 W CB -1.505 28.020 29.460 0.109 0.000 1.122 167 W HN 0.210 8.500 8.180 0.184 0.000 0.561 168 A N 1.553 123.972 122.820 -0.667 0.000 1.892 168 A HA -0.407 3.402 4.320 -0.852 0.000 0.218 168 A C 1.881 179.365 177.584 -0.167 0.000 1.188 168 A CA 3.154 54.796 52.037 -0.657 0.000 0.631 168 A CB -0.633 17.940 19.000 -0.712 0.000 0.822 168 A HN -0.281 7.283 8.150 -0.929 0.028 0.447 169 S N -2.614 113.016 115.700 -0.115 0.000 2.478 169 S HA -0.010 4.436 4.470 -0.040 0.000 0.222 169 S C 1.527 176.126 174.600 -0.001 0.000 1.008 169 S CA 2.711 60.884 58.200 -0.045 0.000 0.928 169 S CB 0.649 63.820 63.200 -0.049 0.000 0.781 169 S HN -0.419 7.800 8.310 -0.152 0.000 0.518 170 V N -2.253 117.677 119.914 0.027 0.000 2.672 170 V HA 0.266 4.375 4.120 -0.020 0.000 0.242 170 V C 0.843 176.959 176.094 0.036 0.000 1.059 170 V CA 1.182 63.488 62.300 0.010 0.000 1.081 170 V CB -0.159 31.649 31.823 -0.025 0.000 0.752 170 V HN -0.288 7.832 8.190 0.038 0.093 0.472 171 R N -0.375 120.216 120.500 0.152 0.000 2.153 171 R HA -0.190 4.165 4.340 0.026 0.000 0.218 171 R C 1.853 178.248 176.300 0.157 0.000 1.072 171 R CA 3.369 59.563 56.100 0.157 0.000 0.990 171 R CB -0.243 30.238 30.300 0.302 0.000 0.889 171 R HN 0.062 8.349 8.270 0.251 0.134 0.452 172 T N 1.032 115.693 114.554 0.179 0.000 3.014 172 T HA -0.179 4.263 4.350 0.155 0.000 0.263 172 T C 2.191 176.933 174.700 0.070 0.000 1.078 172 T CA 3.531 65.713 62.100 0.137 0.000 1.135 172 T CB -0.254 68.695 68.868 0.134 0.000 0.895 172 T HN -0.685 7.650 8.240 0.196 0.023 0.480 173 V N 1.886 121.824 119.914 0.040 0.000 2.667 173 V HA -0.197 3.932 4.120 0.015 0.000 0.252 173 V C -0.422 175.672 176.094 0.000 0.000 1.065 173 V CA 2.647 64.953 62.300 0.011 0.000 1.083 173 V CB 0.064 31.882 31.823 -0.009 0.000 0.692 173 V HN -0.396 7.820 8.190 0.044 0.000 0.468 174 L N -4.429 116.790 121.223 -0.006 0.000 3.062 174 L HA 0.378 4.707 4.340 -0.018 0.000 0.255 174 L C -0.402 176.471 176.870 0.005 0.000 1.274 174 L CA -1.474 53.351 54.840 -0.025 0.000 1.047 174 L CB -1.619 40.390 42.059 -0.084 0.000 1.402 174 L HN -0.798 7.409 8.230 0.003 0.025 0.550 175 T N 0.857 115.438 114.554 0.045 0.000 3.148 175 T HA -0.042 4.376 4.350 0.113 0.000 0.253 175 T C 1.018 175.762 174.700 0.073 0.000 1.134 175 T CA 2.129 64.281 62.100 0.086 0.000 1.051 175 T CB -0.057 68.876 68.868 0.107 0.000 0.959 175 T HN -0.818 7.288 8.240 0.043 0.160 0.525 176 G N -0.404 108.422 108.800 0.044 0.000 3.088 176 G HA2 0.094 4.077 3.960 0.037 0.000 0.212 176 G HA3 0.094 4.068 3.960 0.024 0.000 0.212 176 G C -0.350 174.570 174.900 0.033 0.000 1.173 176 G CA -0.267 44.853 45.100 0.034 0.000 0.779 176 G HN 0.000 8.240 8.290 0.032 0.070 0.540 177 A N 1.226 124.073 122.820 0.046 0.000 2.281 177 A HA 0.083 4.645 4.320 0.021 -0.229 0.231 177 A C 0.188 177.821 177.584 0.081 0.000 1.317 177 A CA -0.297 51.769 52.037 0.048 0.000 0.959 177 A CB 0.227 19.248 19.000 0.036 0.000 0.900 177 A HN -0.574 7.523 8.150 0.052 0.084 0.497 178 V N -1.059 118.890 119.914 0.059 0.000 2.800 178 V HA -0.123 4.028 4.120 0.051 0.000 0.365 178 V C -0.261 175.831 176.094 -0.004 0.000 1.527 178 V CA -0.500 61.821 62.300 0.035 0.000 1.623 178 V CB -2.696 29.141 31.823 0.023 0.000 1.407 178 V HN -0.215 7.872 8.190 0.048 0.132 0.527 179 A N 1.232 124.045 122.820 -0.012 0.000 2.238 179 A HA 0.023 4.332 4.320 -0.019 0.000 0.208 179 A C 0.115 177.676 177.584 -0.039 0.000 1.177 179 A CA 1.591 53.613 52.037 -0.024 0.000 0.804 179 A CB -0.342 18.644 19.000 -0.024 0.000 0.823 179 A HN -0.389 7.665 8.150 -0.002 0.095 0.482 180 L N -4.624 116.559 121.223 -0.065 0.000 2.567 180 L HA 0.028 4.337 4.340 -0.052 0.000 0.225 180 L C 0.241 177.074 176.870 -0.061 0.000 1.119 180 L CA -0.915 53.877 54.840 -0.080 0.000 0.871 180 L CB -0.356 41.603 42.059 -0.168 0.000 1.036 180 L HN -0.282 7.827 8.230 -0.072 0.078 0.459 181 G N -0.434 108.336 108.800 -0.051 0.000 2.821 181 G HA2 -0.031 3.906 3.960 -0.038 0.000 0.289 181 G HA3 -0.031 3.907 3.960 -0.036 0.000 0.289 181 G C -1.253 173.630 174.900 -0.029 0.000 0.771 181 G CA -0.238 44.839 45.100 -0.038 0.000 1.908 181 G HN -0.717 7.485 8.290 -0.048 0.059 0.539 182 A N 5.691 128.498 122.820 -0.022 0.000 2.624 182 A HA 0.489 4.788 4.320 -0.035 0.000 0.267 182 A C -1.741 175.813 177.584 -0.050 0.000 1.282 182 A CA -1.247 50.773 52.037 -0.030 0.000 0.934 182 A CB 2.176 21.165 19.000 -0.019 0.000 1.510 182 A HN -0.472 7.645 8.150 -0.013 0.025 0.477 183 L N 0.000 121.161 121.223 -0.104 0.000 2.949 183 L HA 0.000 4.200 4.340 -0.233 0.000 0.249 183 L CA 0.000 54.699 54.840 -0.235 0.000 0.813 183 L CB 0.000 41.953 42.059 -0.176 0.000 0.961 183 L HN 0.000 8.178 8.230 -0.087 0.000 0.502