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 1mvs_1_A DATA FIRST_RESID 1 DATA SEQUENCE VGSLNCIVAV SQNMGIGKNG DLPWPPLRNE FRYFQRMTTT SSVEGKQNLV DATA SEQUENCE IMGKKTWFSI PEKNRPLKGR INLVLSRELK EPPQGAHFLS RSLDDALKLT DATA SEQUENCE EQPELANKVD MVWIVGGSSV YKEAMNHPGH LKLFVTRIMQ DFESDTFFPE DATA SEQUENCE IDLEKYKLLP EYPGVLSDVQ EEKGIKYKFE VYEKND 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 V HA 0.000 4.120 4.120 0.000 0.000 0.244 1 V C 0.000 176.089 176.094 -0.009 0.000 1.182 1 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 1 V CB 0.000 31.809 31.823 -0.024 0.000 1.184 2 G N 1.806 110.595 108.800 -0.018 0.000 2.928 2 G HA2 0.500 4.451 3.960 -0.016 0.000 0.163 2 G HA3 0.500 4.451 3.960 -0.016 0.000 0.163 2 G C 0.226 175.110 174.900 -0.027 0.000 1.573 2 G CA -0.083 45.010 45.100 -0.011 0.000 1.084 2 G HN 0.972 9.262 8.290 0.000 0.000 0.569 3 S N -0.696 114.971 115.700 -0.055 0.000 2.568 3 S HA 0.235 4.696 4.470 -0.016 0.000 0.282 3 S C -0.248 174.230 174.600 -0.203 0.000 1.338 3 S CA -0.233 57.904 58.200 -0.106 0.000 1.045 3 S CB 0.951 64.069 63.200 -0.138 0.000 0.873 3 S HN 0.432 8.742 8.310 0.000 0.000 0.516 4 L N 4.983 126.098 121.223 -0.180 0.000 2.272 4 L HA 0.495 4.825 4.340 -0.016 0.000 0.289 4 L C -0.657 176.061 176.870 -0.254 0.000 1.032 4 L CA 0.009 54.735 54.840 -0.191 0.000 0.810 4 L CB 0.519 42.535 42.059 -0.071 0.000 1.205 4 L HN 0.533 8.763 8.230 0.000 0.000 0.422 5 N N 3.694 122.164 118.700 -0.383 0.000 2.229 5 N HA 0.513 5.244 4.740 -0.016 0.000 0.298 5 N C -1.533 173.970 175.510 -0.012 0.000 1.114 5 N CA -0.453 52.390 53.050 -0.345 0.000 0.776 5 N CB 1.928 39.669 38.487 -1.245 0.000 1.501 5 N HN 0.464 8.844 8.380 0.000 0.000 0.474 6 C N 1.100 120.544 119.300 0.240 0.000 2.411 6 C HA 0.644 5.094 4.460 -0.016 0.000 0.330 6 C C 0.402 175.711 174.990 0.531 0.000 1.224 6 C CA -0.712 58.562 59.018 0.426 0.000 1.770 6 C CB 0.357 28.342 27.740 0.407 0.000 2.297 6 C HN 0.686 8.916 8.230 0.000 0.000 0.507 7 I N 2.718 123.629 120.570 0.568 0.000 2.499 7 I HA 0.762 4.922 4.170 -0.016 0.000 0.288 7 I C -1.120 175.230 176.117 0.388 0.000 1.048 7 I CA -0.129 61.456 61.300 0.475 0.000 1.062 7 I CB 1.176 39.378 38.000 0.336 0.000 1.238 7 I HN 0.514 8.724 8.210 0.000 0.000 0.426 8 V N 6.604 126.618 119.914 0.166 0.000 3.048 8 V HA 0.859 4.969 4.120 -0.016 0.000 0.303 8 V C -1.231 174.881 176.094 0.030 0.000 1.214 8 V CA -0.257 62.041 62.300 -0.004 0.000 0.984 8 V CB 2.176 33.607 31.823 -0.653 0.000 1.054 8 V HN 0.799 8.989 8.190 0.000 0.000 0.430 9 A N 5.388 128.271 122.820 0.105 0.000 2.291 9 A HA 0.837 5.147 4.320 -0.016 0.000 0.311 9 A C -0.782 176.881 177.584 0.131 0.000 1.224 9 A CA -0.279 51.821 52.037 0.106 0.000 0.821 9 A CB 1.188 20.332 19.000 0.239 0.000 1.172 9 A HN 1.706 9.856 8.150 0.000 0.000 0.494 10 V N 1.292 121.201 119.914 -0.008 0.000 2.680 10 V HA 0.859 4.970 4.120 -0.016 0.000 0.309 10 V C 0.392 176.479 176.094 -0.012 0.000 1.052 10 V CA -0.258 62.099 62.300 0.094 0.000 0.908 10 V CB 1.088 32.924 31.823 0.022 0.000 1.001 10 V HN 1.092 9.282 8.190 0.000 0.000 0.431 11 S N 2.144 117.957 115.700 0.189 0.000 2.652 11 S HA 0.262 4.723 4.470 -0.016 0.000 0.267 11 S C 0.869 175.555 174.600 0.143 0.000 1.201 11 S CA -0.010 58.304 58.200 0.189 0.000 0.996 11 S CB 0.996 64.535 63.200 0.565 0.000 1.054 11 S HN 0.824 9.134 8.310 0.000 0.000 0.561 12 Q N 0.735 120.601 119.800 0.111 0.000 2.226 12 Q HA -0.118 4.213 4.340 -0.016 0.000 0.204 12 Q C 1.051 177.123 176.000 0.120 0.000 0.975 12 Q CA 1.404 57.254 55.803 0.078 0.000 0.866 12 Q CB -0.298 28.457 28.738 0.028 0.000 0.915 12 Q HN 0.848 9.118 8.270 0.000 0.000 0.440 13 N N -0.736 118.071 118.700 0.180 0.000 2.314 13 N HA -0.041 4.689 4.740 -0.016 0.000 0.200 13 N C 0.120 175.849 175.510 0.365 0.000 1.135 13 N CA 0.245 53.435 53.050 0.233 0.000 0.835 13 N CB 0.454 39.093 38.487 0.252 0.000 0.989 13 N HN 0.095 8.475 8.380 0.000 0.000 0.478 14 M N -1.853 117.943 119.600 0.326 0.000 2.943 14 M HA -0.111 4.359 4.480 -0.016 0.000 0.198 14 M C 0.464 177.036 176.300 0.453 0.000 0.606 14 M CA 0.580 56.118 55.300 0.396 0.000 0.744 14 M CB -2.397 30.449 32.600 0.409 0.000 2.671 14 M HN 0.345 8.635 8.290 0.000 0.000 0.342 15 G N 1.244 110.216 108.800 0.287 0.000 2.365 15 G HA2 0.441 4.391 3.960 -0.016 0.000 0.249 15 G HA3 0.441 4.391 3.960 -0.016 0.000 0.249 15 G C 1.002 175.933 174.900 0.051 0.000 1.288 15 G CA 0.055 45.068 45.100 -0.145 0.000 0.887 15 G HN 0.738 9.028 8.290 0.000 0.000 0.524 16 I N 0.121 120.632 120.570 -0.098 0.000 4.288 16 I HA 0.568 4.728 4.170 -0.016 0.000 0.331 16 I C 0.766 176.767 176.117 -0.193 0.000 1.322 16 I CA -0.118 61.199 61.300 0.028 0.000 1.149 16 I CB 0.765 38.881 38.000 0.194 0.000 1.112 16 I HN 0.589 8.799 8.210 0.000 0.000 0.403 17 G N 0.946 109.576 108.800 -0.283 0.000 2.601 17 G HA2 0.493 4.443 3.960 -0.016 0.000 0.291 17 G HA3 0.493 4.443 3.960 -0.016 0.000 0.291 17 G C -2.043 172.696 174.900 -0.268 0.000 1.456 17 G CA -0.700 44.221 45.100 -0.297 0.000 0.804 17 G HN 0.006 8.296 8.290 0.000 0.000 0.499 18 K N 1.107 121.367 120.400 -0.234 0.000 2.637 18 K HA 0.268 4.579 4.320 -0.016 0.000 0.248 18 K C -0.232 176.292 176.600 -0.127 0.000 0.971 18 K CA -0.680 55.511 56.287 -0.159 0.000 0.858 18 K CB 0.739 33.159 32.500 -0.133 0.000 1.170 18 K HN 0.533 8.783 8.250 0.000 0.000 0.443 19 N N 2.296 120.944 118.700 -0.087 0.000 2.714 19 N HA -0.209 4.522 4.740 -0.016 0.000 0.252 19 N C 0.493 175.955 175.510 -0.081 0.000 1.014 19 N CA 1.583 54.591 53.050 -0.070 0.000 0.735 19 N CB -1.163 37.288 38.487 -0.059 0.000 0.924 19 N HN 1.110 9.490 8.380 0.000 0.000 0.540 20 G N -1.336 107.413 108.800 -0.085 0.000 2.166 20 G HA2 -0.329 3.622 3.960 -0.016 0.000 0.260 20 G HA3 -0.329 3.622 3.960 -0.016 0.000 0.260 20 G C -0.158 174.663 174.900 -0.132 0.000 0.986 20 G CA 0.829 45.878 45.100 -0.085 0.000 0.683 20 G HN 0.699 8.989 8.290 0.000 0.000 0.527 21 D N -1.195 119.102 120.400 -0.173 0.000 2.533 21 D HA 0.634 5.264 4.640 -0.016 0.000 0.247 21 D C 0.641 176.731 176.300 -0.351 0.000 1.056 21 D CA -0.835 53.024 54.000 -0.234 0.000 1.054 21 D CB 0.878 41.561 40.800 -0.195 0.000 1.400 21 D HN 0.088 8.458 8.370 0.000 0.000 0.533 22 L N 2.107 123.058 121.223 -0.454 0.000 2.416 22 L HA 0.214 4.544 4.340 -0.016 0.000 0.272 22 L C -1.350 174.989 176.870 -0.886 0.000 1.161 22 L CA -1.235 53.118 54.840 -0.812 0.000 0.845 22 L CB 0.813 42.390 42.059 -0.803 0.000 1.119 22 L HN 0.393 8.623 8.230 0.000 0.000 0.464 23 P HA -0.122 4.298 4.420 0.000 0.000 0.219 23 P C -0.850 176.037 177.300 -0.690 0.000 1.146 23 P CA 0.991 63.692 63.100 -0.666 0.000 0.808 23 P CB 0.099 31.572 31.700 -0.378 0.000 0.779 24 W N -1.238 119.634 121.300 -0.713 0.000 2.762 24 W HA 0.660 5.310 4.660 -0.017 0.000 0.355 24 W C -2.610 173.674 176.519 -0.392 0.000 1.124 24 W CA -3.004 53.761 57.345 -0.966 0.000 1.141 24 W CB -1.114 27.583 29.460 -1.270 0.000 1.432 24 W HN -0.371 7.809 8.180 0.000 0.000 0.586 25 P HA 0.216 4.636 4.420 0.000 0.000 0.272 25 P C -2.367 174.984 177.300 0.084 0.000 1.230 25 P CA -1.194 61.913 63.100 0.012 0.000 0.788 25 P CB -0.012 31.711 31.700 0.038 0.000 0.949 26 P HA 0.168 4.588 4.420 0.000 0.000 0.268 26 P C -0.739 176.433 177.300 -0.214 0.000 1.204 26 P CA 0.440 63.592 63.100 0.085 0.000 0.768 26 P CB 0.201 32.016 31.700 0.191 0.000 0.842 27 L N 4.027 124.853 121.223 -0.662 0.000 2.337 27 L HA 0.372 4.703 4.340 -0.016 0.000 0.269 27 L C 1.287 177.608 176.870 -0.915 0.000 1.018 27 L CA -0.806 53.674 54.840 -0.599 0.000 0.876 27 L CB 1.276 43.044 42.059 -0.484 0.000 1.236 27 L HN 0.134 8.364 8.230 0.000 0.000 0.436 28 R N 1.057 121.250 120.500 -0.512 0.000 2.119 28 R HA -0.172 4.159 4.340 -0.016 0.000 0.246 28 R C 1.502 177.703 176.300 -0.165 0.000 1.146 28 R CA 1.515 57.434 56.100 -0.301 0.000 0.962 28 R CB -0.592 29.653 30.300 -0.093 0.000 0.863 28 R HN 0.572 8.842 8.270 0.000 0.000 0.442 29 N N 0.286 118.939 118.700 -0.078 0.000 2.446 29 N HA -0.088 4.643 4.740 -0.016 0.000 0.179 29 N C 1.419 177.031 175.510 0.170 0.000 1.054 29 N CA 0.365 53.468 53.050 0.088 0.000 0.905 29 N CB 0.026 38.609 38.487 0.159 0.000 0.973 29 N HN 0.241 8.621 8.380 0.000 0.000 0.448 30 E N 0.694 120.901 120.200 0.010 0.000 2.072 30 E HA -0.048 4.292 4.350 -0.016 0.000 0.190 30 E C 1.283 178.121 176.600 0.398 0.000 0.982 30 E CA 0.650 57.139 56.400 0.150 0.000 0.803 30 E CB -0.040 29.547 29.700 -0.188 0.000 0.755 30 E HN 0.166 8.526 8.360 0.000 0.000 0.453 31 F N 1.178 121.222 119.950 0.156 0.000 2.216 31 F HA -0.082 4.435 4.527 -0.016 0.000 0.300 31 F C 2.550 178.466 175.800 0.194 0.000 1.085 31 F CA 1.086 59.179 58.000 0.154 0.000 1.326 31 F CB -1.185 37.853 39.000 0.064 0.000 1.027 31 F HN 0.114 8.414 8.300 0.000 0.000 0.497 32 R N -0.389 120.297 120.500 0.311 0.000 2.073 32 R HA -0.213 4.117 4.340 -0.016 0.000 0.229 32 R C 2.324 178.716 176.300 0.155 0.000 1.120 32 R CA 1.286 57.502 56.100 0.194 0.000 0.967 32 R CB -1.107 29.276 30.300 0.139 0.000 0.862 32 R HN 0.315 8.585 8.270 0.000 0.000 0.436 33 Y N 0.550 120.893 120.300 0.072 0.000 2.114 33 Y HA -0.264 4.276 4.550 -0.017 0.000 0.284 33 Y C 1.959 177.815 175.900 -0.073 0.000 1.143 33 Y CA 2.077 60.146 58.100 -0.052 0.000 1.135 33 Y CB -0.517 37.877 38.460 -0.110 0.000 0.980 33 Y HN 0.165 8.445 8.280 0.000 0.000 0.499 34 F N 1.331 121.247 119.950 -0.055 0.000 2.065 34 F HA -0.335 4.182 4.527 -0.017 0.000 0.298 34 F C 2.273 177.894 175.800 -0.300 0.000 1.112 34 F CA 2.328 60.224 58.000 -0.173 0.000 1.212 34 F CB -0.644 38.375 39.000 0.031 0.000 0.975 34 F HN 0.135 8.435 8.300 0.000 0.000 0.476 35 Q N 0.359 120.040 119.800 -0.198 0.000 2.124 35 Q HA -0.217 4.113 4.340 -0.016 0.000 0.202 35 Q C 2.414 178.177 176.000 -0.395 0.000 0.977 35 Q CA 1.794 57.407 55.803 -0.316 0.000 0.850 35 Q CB -0.657 28.056 28.738 -0.043 0.000 0.901 35 Q HN 0.554 8.824 8.270 0.000 0.000 0.429 36 R N -0.034 120.263 120.500 -0.338 0.000 2.066 36 R HA -0.055 4.275 4.340 -0.016 0.000 0.232 36 R C 2.282 178.302 176.300 -0.466 0.000 1.131 36 R CA 1.003 56.917 56.100 -0.311 0.000 0.955 36 R CB 0.038 30.208 30.300 -0.217 0.000 0.851 36 R HN 0.116 8.386 8.270 0.000 0.000 0.432 37 M N 0.576 119.738 119.600 -0.729 0.000 2.067 37 M HA -0.132 4.338 4.480 -0.016 0.000 0.260 37 M C 2.477 178.083 176.300 -1.156 0.000 1.069 37 M CA 2.396 57.139 55.300 -0.930 0.000 1.117 37 M CB -1.268 30.580 32.600 -1.253 0.000 1.334 37 M HN 0.352 8.642 8.290 0.000 0.000 0.407 38 T N -2.756 110.969 114.554 -1.383 0.000 2.904 38 T HA -0.045 4.295 4.350 -0.016 0.000 0.267 38 T C 1.611 175.929 174.700 -0.635 0.000 1.059 38 T CA 1.734 62.991 62.100 -1.405 0.000 1.137 38 T CB -0.642 67.433 68.868 -1.323 0.000 0.879 38 T HN 0.339 8.579 8.240 0.000 0.000 0.467 39 T N 1.618 115.895 114.554 -0.462 0.000 3.035 39 T HA 0.093 4.433 4.350 -0.016 0.000 0.259 39 T C 0.840 175.461 174.700 -0.133 0.000 1.078 39 T CA 0.510 62.472 62.100 -0.229 0.000 1.132 39 T CB -0.369 68.395 68.868 -0.174 0.000 0.900 39 T HN 0.425 8.665 8.240 0.000 0.000 0.480 40 T N 3.137 117.602 114.554 -0.148 0.000 2.769 40 T HA 0.301 4.641 4.350 -0.016 0.000 0.293 40 T C 0.067 174.771 174.700 0.008 0.000 0.931 40 T CA -0.119 61.944 62.100 -0.062 0.000 1.139 40 T CB 0.672 69.496 68.868 -0.074 0.000 0.881 40 T HN 0.122 8.362 8.240 0.000 0.000 0.532 41 S N 2.319 118.031 115.700 0.019 0.000 2.462 41 S HA 0.325 4.786 4.470 -0.016 0.000 0.294 41 S C 0.955 175.576 174.600 0.036 0.000 1.144 41 S CA -0.986 57.240 58.200 0.042 0.000 1.088 41 S CB 0.488 63.707 63.200 0.032 0.000 1.009 41 S HN 0.721 9.031 8.310 0.000 0.000 0.484 42 S N 3.520 119.248 115.700 0.047 0.000 2.815 42 S HA 0.424 4.884 4.470 -0.016 0.000 0.254 42 S C -0.087 174.530 174.600 0.028 0.000 1.197 42 S CA -0.522 57.701 58.200 0.039 0.000 1.216 42 S CB -0.456 62.774 63.200 0.051 0.000 0.871 42 S HN 0.835 9.145 8.310 0.000 0.000 0.473 43 V N 0.449 120.376 119.914 0.022 0.000 2.915 43 V HA 0.250 4.360 4.120 -0.016 0.000 0.282 43 V C -1.531 174.570 176.094 0.012 0.000 1.445 43 V CA -0.744 61.566 62.300 0.016 0.000 0.953 43 V CB 1.930 33.763 31.823 0.016 0.000 1.140 43 V HN 0.579 8.769 8.190 0.000 0.000 0.440 44 E N 4.324 124.530 120.200 0.009 0.000 2.376 44 E HA 0.488 4.829 4.350 -0.016 0.000 0.266 44 E C 1.128 177.731 176.600 0.005 0.000 1.009 44 E CA 0.674 57.078 56.400 0.007 0.000 0.902 44 E CB 0.985 30.688 29.700 0.005 0.000 0.972 44 E HN 1.549 9.909 8.360 0.000 0.000 0.439 45 G N 2.568 111.371 108.800 0.004 0.000 2.179 45 G HA2 -0.255 3.695 3.960 -0.016 0.000 0.260 45 G HA3 -0.255 3.695 3.960 -0.016 0.000 0.260 45 G C 0.099 175.001 174.900 0.003 0.000 0.977 45 G CA 0.103 45.205 45.100 0.003 0.000 0.641 45 G HN 0.350 8.640 8.290 0.000 0.000 0.533 46 K N -0.121 120.282 120.400 0.006 0.000 2.211 46 K HA 0.742 5.053 4.320 -0.016 0.000 0.237 46 K C 0.255 176.862 176.600 0.012 0.000 1.002 46 K CA -0.482 55.810 56.287 0.007 0.000 0.885 46 K CB 1.369 33.874 32.500 0.009 0.000 1.136 46 K HN 0.450 8.700 8.250 0.000 0.000 0.448 47 Q N 0.327 120.136 119.800 0.015 0.000 2.495 47 Q HA 0.386 4.716 4.340 -0.016 0.000 0.287 47 Q C -0.872 175.154 176.000 0.043 0.000 1.078 47 Q CA -1.029 54.788 55.803 0.024 0.000 0.793 47 Q CB 1.545 30.294 28.738 0.019 0.000 1.459 47 Q HN 0.359 8.629 8.270 0.000 0.000 0.422 48 N N 0.672 119.411 118.700 0.065 0.000 2.515 48 N HA 0.361 5.091 4.740 -0.016 0.000 0.279 48 N C -1.270 174.307 175.510 0.111 0.000 1.164 48 N CA -0.468 52.652 53.050 0.118 0.000 0.982 48 N CB 0.743 39.364 38.487 0.222 0.000 1.170 48 N HN 0.388 8.768 8.380 0.000 0.000 0.474 49 L N 1.667 122.960 121.223 0.117 0.000 2.282 49 L HA 0.422 4.752 4.340 -0.016 0.000 0.288 49 L C -0.840 176.123 176.870 0.155 0.000 1.033 49 L CA -0.783 54.123 54.840 0.109 0.000 0.807 49 L CB 1.106 43.194 42.059 0.049 0.000 1.209 49 L HN 0.330 8.560 8.230 0.000 0.000 0.423 50 V N 4.057 124.066 119.914 0.159 0.000 2.370 50 V HA 0.544 4.655 4.120 -0.016 0.000 0.283 50 V C 0.108 176.287 176.094 0.142 0.000 1.023 50 V CA -0.680 61.723 62.300 0.172 0.000 0.857 50 V CB 0.976 32.891 31.823 0.153 0.000 0.985 50 V HN 0.622 8.812 8.190 0.000 0.000 0.443 51 I N 6.978 127.624 120.570 0.125 0.000 2.339 51 I HA 0.597 4.758 4.170 -0.016 0.000 0.290 51 I C 0.067 176.220 176.117 0.060 0.000 0.994 51 I CA -0.271 61.073 61.300 0.073 0.000 1.191 51 I CB 1.470 39.493 38.000 0.038 0.000 1.343 51 I HN 0.802 9.012 8.210 0.000 0.000 0.458 52 M N 4.762 124.388 119.600 0.044 0.000 2.531 52 M HA 0.705 5.175 4.480 -0.016 0.000 0.286 52 M C -0.466 175.838 176.300 0.006 0.000 1.232 52 M CA -0.583 54.732 55.300 0.024 0.000 0.877 52 M CB 1.993 34.639 32.600 0.077 0.000 1.726 52 M HN 0.470 8.760 8.290 0.000 0.000 0.463 53 G N 1.229 110.021 108.800 -0.013 0.000 2.621 53 G HA2 0.229 4.180 3.960 -0.016 0.000 0.271 53 G HA3 0.229 4.180 3.960 -0.016 0.000 0.271 53 G C 0.207 175.140 174.900 0.056 0.000 1.236 53 G CA -0.451 44.652 45.100 0.005 0.000 0.958 53 G HN 1.012 9.302 8.290 0.000 0.000 0.512 54 K N -0.437 120.011 120.400 0.079 0.000 2.026 54 K HA -0.101 4.209 4.320 -0.016 0.000 0.208 54 K C 2.348 179.124 176.600 0.293 0.000 1.048 54 K CA 1.545 57.941 56.287 0.182 0.000 0.929 54 K CB -0.159 32.455 32.500 0.191 0.000 0.713 54 K HN 0.471 8.721 8.250 0.000 0.000 0.439 55 K N -0.161 120.355 120.400 0.194 0.000 2.057 55 K HA -0.111 4.199 4.320 -0.016 0.000 0.207 55 K C 1.889 178.557 176.600 0.114 0.000 1.049 55 K CA 1.820 58.209 56.287 0.169 0.000 0.931 55 K CB -0.033 32.516 32.500 0.082 0.000 0.714 55 K HN 0.166 8.416 8.250 0.000 0.000 0.440 56 T N 0.869 115.460 114.554 0.061 0.000 2.684 56 T HA -0.207 4.134 4.350 -0.016 0.000 0.267 56 T C 1.224 175.919 174.700 -0.009 0.000 1.036 56 T CA 1.387 63.489 62.100 0.002 0.000 1.148 56 T CB -0.402 68.455 68.868 -0.018 0.000 0.863 56 T HN 0.494 8.734 8.240 0.000 0.000 0.436 57 W N 1.330 122.527 121.300 -0.172 0.000 2.335 57 W HA -0.173 4.477 4.660 -0.017 0.000 0.311 57 W C 1.499 177.782 176.519 -0.393 0.000 1.213 57 W CA 1.010 58.161 57.345 -0.323 0.000 1.274 57 W CB -0.749 28.446 29.460 -0.442 0.000 1.148 57 W HN 0.300 8.480 8.180 0.000 0.000 0.498 58 F N 1.736 121.682 119.950 -0.006 0.000 2.502 58 F HA -0.177 4.341 4.527 -0.016 0.000 0.298 58 F C 2.837 178.531 175.800 -0.177 0.000 1.111 58 F CA 1.650 59.587 58.000 -0.105 0.000 1.445 58 F CB -0.612 38.398 39.000 0.016 0.000 1.081 58 F HN -0.119 8.181 8.300 0.000 0.000 0.558 59 S N -0.114 115.548 115.700 -0.063 0.000 2.561 59 S HA 0.068 4.528 4.470 -0.016 0.000 0.225 59 S C 0.550 175.012 174.600 -0.230 0.000 0.977 59 S CA -0.005 58.119 58.200 -0.127 0.000 0.926 59 S CB -0.868 62.251 63.200 -0.136 0.000 0.769 59 S HN 0.210 8.520 8.310 0.000 0.000 0.533 60 I N 3.010 123.388 120.570 -0.321 0.000 2.396 60 I HA 0.357 4.518 4.170 -0.016 0.000 0.292 60 I C -2.443 173.476 176.117 -0.330 0.000 0.999 60 I CA -2.896 58.183 61.300 -0.369 0.000 1.310 60 I CB 0.984 38.705 38.000 -0.465 0.000 1.404 60 I HN -0.030 8.180 8.210 0.000 0.000 0.496 61 P HA 0.016 4.436 4.420 0.000 0.000 0.264 61 P C 0.390 177.556 177.300 -0.223 0.000 1.193 61 P CA 0.064 63.047 63.100 -0.195 0.000 0.763 61 P CB 0.612 32.222 31.700 -0.151 0.000 0.810 62 E N 2.097 122.187 120.200 -0.184 0.000 2.233 62 E HA -0.255 4.085 4.350 -0.016 0.000 0.199 62 E C 1.415 177.926 176.600 -0.148 0.000 1.004 62 E CA 1.210 57.503 56.400 -0.179 0.000 0.819 62 E CB 0.069 29.713 29.700 -0.093 0.000 0.738 62 E HN 0.324 8.684 8.360 0.000 0.000 0.478 63 K N 0.388 120.718 120.400 -0.116 0.000 2.097 63 K HA -0.082 4.228 4.320 -0.016 0.000 0.206 63 K C 1.139 177.679 176.600 -0.100 0.000 1.049 63 K CA 0.780 57.016 56.287 -0.084 0.000 0.933 63 K CB -0.192 32.270 32.500 -0.063 0.000 0.717 63 K HN 0.166 8.416 8.250 0.000 0.000 0.442 64 N N 1.209 119.823 118.700 -0.144 0.000 2.313 64 N HA 0.007 4.737 4.740 -0.016 0.000 0.207 64 N C -0.232 175.152 175.510 -0.210 0.000 1.141 64 N CA 0.143 53.106 53.050 -0.146 0.000 0.830 64 N CB 0.486 38.883 38.487 -0.149 0.000 1.008 64 N HN 0.102 8.482 8.380 0.000 0.000 0.481 65 R N 1.464 121.803 120.500 -0.267 0.000 2.387 65 R HA 0.379 4.709 4.340 -0.016 0.000 0.314 65 R C -2.171 174.043 176.300 -0.143 0.000 0.958 65 R CA -1.346 54.512 56.100 -0.404 0.000 0.846 65 R CB 1.739 31.592 30.300 -0.745 0.000 1.147 65 R HN 0.051 8.321 8.270 0.000 0.000 0.447 66 P HA 0.107 4.527 4.420 0.000 0.000 0.277 66 P C -0.453 176.865 177.300 0.029 0.000 1.271 66 P CA -0.487 62.669 63.100 0.093 0.000 0.795 66 P CB 0.815 32.612 31.700 0.163 0.000 1.101 67 L N 0.878 122.145 121.223 0.074 0.000 2.530 67 L HA 0.084 4.415 4.340 -0.016 0.000 0.273 67 L C 1.390 178.303 176.870 0.073 0.000 1.141 67 L CA -0.191 54.683 54.840 0.057 0.000 0.905 67 L CB -0.428 41.682 42.059 0.085 0.000 1.202 67 L HN 0.368 8.598 8.230 0.000 0.000 0.473 68 K N 2.205 122.631 120.400 0.044 0.000 2.295 68 K HA 0.392 4.703 4.320 -0.016 0.000 0.270 68 K C 0.952 177.567 176.600 0.025 0.000 1.011 68 K CA 0.070 56.386 56.287 0.048 0.000 0.953 68 K CB 0.658 33.178 32.500 0.033 0.000 0.956 68 K HN 0.729 8.979 8.250 0.000 0.000 0.477 69 G N 1.503 110.323 108.800 0.032 0.000 2.179 69 G HA2 -0.295 3.655 3.960 -0.016 0.000 0.260 69 G HA3 -0.295 3.655 3.960 -0.016 0.000 0.260 69 G C -0.246 174.665 174.900 0.017 0.000 0.977 69 G CA 0.323 45.430 45.100 0.011 0.000 0.641 69 G HN 0.643 8.933 8.290 0.000 0.000 0.533 70 R N -0.811 119.719 120.500 0.050 0.000 2.807 70 R HA 0.722 5.053 4.340 -0.016 0.000 0.276 70 R C -0.026 176.363 176.300 0.149 0.000 0.979 70 R CA -0.989 55.154 56.100 0.072 0.000 0.928 70 R CB 1.455 31.783 30.300 0.047 0.000 1.191 70 R HN 0.175 8.445 8.270 0.000 0.000 0.471 71 I N 1.838 122.500 120.570 0.154 0.000 2.337 71 I HA 0.141 4.302 4.170 -0.016 0.000 0.291 71 I C -0.119 176.198 176.117 0.332 0.000 1.046 71 I CA 0.007 61.454 61.300 0.245 0.000 1.324 71 I CB 0.539 38.654 38.000 0.191 0.000 1.409 71 I HN 0.342 8.552 8.210 0.000 0.000 0.494 72 N N 7.993 126.997 118.700 0.506 0.000 2.426 72 N HA 0.396 5.127 4.740 -0.016 0.000 0.257 72 N C -1.015 174.578 175.510 0.139 0.000 1.002 72 N CA -0.485 52.703 53.050 0.231 0.000 0.942 72 N CB 2.086 40.648 38.487 0.124 0.000 1.112 72 N HN 0.451 8.831 8.380 0.000 0.000 0.499 73 L N 3.491 124.777 121.223 0.106 0.000 2.325 73 L HA 0.460 4.790 4.340 -0.016 0.000 0.281 73 L C -1.053 175.797 176.870 -0.032 0.000 1.004 73 L CA -0.757 54.122 54.840 0.065 0.000 0.823 73 L CB 1.347 43.468 42.059 0.103 0.000 1.236 73 L HN 0.146 8.376 8.230 0.000 0.000 0.415 74 V N 6.028 125.864 119.914 -0.130 0.000 2.427 74 V HA 0.377 4.487 4.120 -0.016 0.000 0.286 74 V C 0.097 176.141 176.094 -0.083 0.000 1.034 74 V CA -0.524 61.679 62.300 -0.161 0.000 0.893 74 V CB 1.649 33.247 31.823 -0.374 0.000 0.982 74 V HN 0.601 8.791 8.190 0.000 0.000 0.452 75 L N 4.109 125.304 121.223 -0.047 0.000 2.265 75 L HA 0.668 4.998 4.340 -0.016 0.000 0.289 75 L C 0.080 176.940 176.870 -0.016 0.000 1.033 75 L CA 0.268 55.093 54.840 -0.026 0.000 0.814 75 L CB 1.480 43.527 42.059 -0.019 0.000 1.203 75 L HN 0.748 8.978 8.230 0.000 0.000 0.423 76 S N 2.034 117.726 115.700 -0.014 0.000 2.537 76 S HA 0.501 4.962 4.470 -0.016 0.000 0.271 76 S C 0.089 174.688 174.600 -0.001 0.000 1.148 76 S CA -0.586 57.614 58.200 -0.001 0.000 0.868 76 S CB 1.928 65.129 63.200 0.002 0.000 1.115 76 S HN 0.705 9.015 8.310 0.000 0.000 0.461 77 R N 1.148 121.651 120.500 0.004 0.000 2.250 77 R HA 0.328 4.658 4.340 -0.016 0.000 0.194 77 R C 1.545 177.848 176.300 0.005 0.000 0.927 77 R CA 0.163 56.265 56.100 0.004 0.000 1.052 77 R CB 0.137 30.441 30.300 0.005 0.000 1.055 77 R HN 0.619 8.889 8.270 0.000 0.000 0.537 78 E N 0.341 120.546 120.200 0.008 0.000 2.170 78 E HA 0.058 4.398 4.350 -0.016 0.000 0.191 78 E C -0.111 176.493 176.600 0.006 0.000 0.981 78 E CA 0.283 56.687 56.400 0.007 0.000 0.830 78 E CB 0.360 30.066 29.700 0.009 0.000 0.775 78 E HN 0.162 8.522 8.360 0.000 0.000 0.470 79 L N 1.828 123.055 121.223 0.007 0.000 2.380 79 L HA 0.086 4.416 4.340 -0.016 0.000 0.273 79 L C 1.374 178.240 176.870 -0.006 0.000 1.138 79 L CA -0.345 54.497 54.840 0.003 0.000 0.832 79 L CB 0.726 42.787 42.059 0.004 0.000 1.124 79 L HN -0.097 8.133 8.230 0.000 0.000 0.454 80 K N 2.105 122.501 120.400 -0.007 0.000 2.186 80 K HA 0.028 4.338 4.320 -0.016 0.000 0.202 80 K C 0.291 176.881 176.600 -0.016 0.000 1.052 80 K CA 0.774 57.056 56.287 -0.009 0.000 0.965 80 K CB 0.203 32.699 32.500 -0.007 0.000 0.746 80 K HN 0.756 9.006 8.250 0.000 0.000 0.457 81 E N 0.953 121.138 120.200 -0.026 0.000 2.408 81 E HA 0.357 4.698 4.350 -0.016 0.000 0.275 81 E C -2.904 173.649 176.600 -0.077 0.000 0.935 81 E CA -2.414 53.959 56.400 -0.045 0.000 0.775 81 E CB 1.927 31.602 29.700 -0.040 0.000 1.277 81 E HN -0.269 8.091 8.360 0.000 0.000 0.455 82 P HA 0.149 4.569 4.420 0.000 0.000 0.265 82 P C -2.368 174.797 177.300 -0.226 0.000 1.193 82 P CA -0.810 62.158 63.100 -0.218 0.000 0.765 82 P CB -0.321 31.224 31.700 -0.258 0.000 0.823 83 P HA 0.042 4.462 4.420 0.000 0.000 0.270 83 P C -0.142 177.067 177.300 -0.151 0.000 1.227 83 P CA -0.127 62.868 63.100 -0.176 0.000 0.788 83 P CB 0.250 31.744 31.700 -0.343 0.000 0.926 84 Q N 0.841 120.660 119.800 0.032 0.000 2.286 84 Q HA 0.234 4.564 4.340 -0.016 0.000 0.290 84 Q C 1.074 177.160 176.000 0.143 0.000 1.049 84 Q CA 1.208 57.047 55.803 0.061 0.000 0.923 84 Q CB -0.625 28.184 28.738 0.119 0.000 1.183 84 Q HN 0.739 9.009 8.270 0.000 0.000 0.383 85 G N 2.115 110.957 108.800 0.070 0.000 2.299 85 G HA2 -0.311 3.639 3.960 -0.016 0.000 0.237 85 G HA3 -0.311 3.639 3.960 -0.016 0.000 0.237 85 G C 0.270 175.117 174.900 -0.087 0.000 1.027 85 G CA 0.005 45.184 45.100 0.132 0.000 0.619 85 G HN 1.164 9.454 8.290 0.000 0.000 0.513 86 A N -0.426 122.116 122.820 -0.463 0.000 2.313 86 A HA 0.706 5.016 4.320 -0.016 0.000 0.261 86 A C 0.740 177.932 177.584 -0.653 0.000 1.090 86 A CA 1.091 52.623 52.037 -0.841 0.000 0.807 86 A CB 0.274 18.579 19.000 -1.158 0.000 1.055 86 A HN 0.684 8.834 8.150 0.000 0.000 0.492 87 H N -1.022 117.847 119.070 -0.335 0.000 2.615 87 H HA 0.392 4.938 4.556 -0.016 0.000 0.275 87 H C -0.820 174.017 175.328 -0.818 0.000 0.981 87 H CA 0.398 56.134 56.048 -0.520 0.000 1.252 87 H CB 0.443 29.944 29.762 -0.435 0.000 1.447 87 H HN 0.502 8.782 8.280 0.000 0.000 0.498 88 F N 0.172 120.082 119.950 -0.067 0.000 2.645 88 F HA 0.441 4.960 4.527 -0.014 0.000 0.310 88 F C -1.263 174.462 175.800 -0.125 0.000 1.102 88 F CA -1.184 56.778 58.000 -0.063 0.000 0.952 88 F CB 2.372 41.360 39.000 -0.020 0.000 1.326 88 F HN -0.171 8.129 8.300 0.000 0.000 0.456 89 L N 1.127 122.415 121.223 0.108 0.000 2.408 89 L HA 0.849 5.180 4.340 -0.016 0.000 0.268 89 L C -1.127 175.762 176.870 0.031 0.000 0.986 89 L CA 0.111 54.955 54.840 0.006 0.000 0.820 89 L CB 2.080 44.113 42.059 -0.043 0.000 1.303 89 L HN 0.576 8.806 8.230 0.000 0.000 0.411 90 S N 3.326 119.028 115.700 0.004 0.000 2.569 90 S HA 0.585 5.045 4.470 -0.016 0.000 0.280 90 S C 0.318 174.914 174.600 -0.007 0.000 1.111 90 S CA -0.897 57.303 58.200 0.001 0.000 0.887 90 S CB 2.241 65.436 63.200 -0.007 0.000 1.095 90 S HN 0.587 8.897 8.310 0.000 0.000 0.476 91 R N 1.142 121.639 120.500 -0.004 0.000 2.100 91 R HA 0.151 4.481 4.340 -0.016 0.000 0.220 91 R C 1.020 177.318 176.300 -0.004 0.000 1.091 91 R CA 0.745 56.843 56.100 -0.003 0.000 0.986 91 R CB -0.411 29.889 30.300 -0.000 0.000 0.888 91 R HN 0.791 9.061 8.270 0.000 0.000 0.444 92 S N -1.700 113.996 115.700 -0.006 0.000 2.720 92 S HA 0.243 4.704 4.470 -0.016 0.000 0.287 92 S C 0.621 175.211 174.600 -0.017 0.000 1.168 92 S CA -0.854 57.341 58.200 -0.008 0.000 0.832 92 S CB 1.157 64.356 63.200 -0.001 0.000 1.166 92 S HN -0.010 8.300 8.310 0.000 0.000 0.493 93 L N 0.895 122.105 121.223 -0.022 0.000 2.056 93 L HA 0.082 4.412 4.340 -0.016 0.000 0.207 93 L C 1.787 178.623 176.870 -0.056 0.000 1.078 93 L CA 2.003 56.815 54.840 -0.046 0.000 0.749 93 L CB -0.632 41.390 42.059 -0.062 0.000 0.901 93 L HN 0.818 9.048 8.230 0.000 0.000 0.433 94 D N -0.462 119.922 120.400 -0.027 0.000 2.218 94 D HA -0.166 4.464 4.640 -0.016 0.000 0.204 94 D C 1.689 177.982 176.300 -0.012 0.000 0.976 94 D CA 1.007 55.003 54.000 -0.006 0.000 0.853 94 D CB -0.004 40.813 40.800 0.028 0.000 0.939 94 D HN 0.400 8.770 8.370 0.000 0.000 0.481 95 D N -0.406 119.985 120.400 -0.016 0.000 2.183 95 D HA 0.026 4.656 4.640 -0.016 0.000 0.205 95 D C 1.958 178.236 176.300 -0.036 0.000 0.962 95 D CA 0.710 54.699 54.000 -0.020 0.000 0.849 95 D CB -0.005 40.787 40.800 -0.013 0.000 0.978 95 D HN 0.098 8.468 8.370 0.000 0.000 0.488 96 A N 0.901 123.696 122.820 -0.042 0.000 1.902 96 A HA -0.120 4.190 4.320 -0.016 0.000 0.217 96 A C 2.360 179.900 177.584 -0.074 0.000 1.181 96 A CA 0.933 52.936 52.037 -0.057 0.000 0.623 96 A CB -0.715 18.258 19.000 -0.045 0.000 0.818 96 A HN 0.197 8.347 8.150 0.000 0.000 0.443 97 L N -0.736 120.448 121.223 -0.066 0.000 2.056 97 L HA -0.162 4.169 4.340 -0.016 0.000 0.207 97 L C 2.432 179.272 176.870 -0.049 0.000 1.078 97 L CA 1.549 56.352 54.840 -0.062 0.000 0.749 97 L CB -0.543 41.478 42.059 -0.062 0.000 0.901 97 L HN 0.312 8.542 8.230 0.000 0.000 0.433 98 K N 0.335 120.713 120.400 -0.037 0.000 2.280 98 K HA -0.157 4.153 4.320 -0.016 0.000 0.202 98 K C 2.030 178.598 176.600 -0.054 0.000 1.047 98 K CA 1.043 57.312 56.287 -0.031 0.000 0.942 98 K CB -0.176 32.314 32.500 -0.016 0.000 0.739 98 K HN 0.306 8.556 8.250 0.000 0.000 0.457 99 L N 0.875 122.048 121.223 -0.083 0.000 2.376 99 L HA -0.110 4.220 4.340 -0.016 0.000 0.219 99 L C 1.955 178.730 176.870 -0.158 0.000 1.133 99 L CA 0.851 55.613 54.840 -0.129 0.000 0.816 99 L CB -0.100 41.853 42.059 -0.177 0.000 0.933 99 L HN 0.133 8.363 8.230 0.000 0.000 0.449 100 T N -0.372 114.108 114.554 -0.123 0.000 2.770 100 T HA -0.174 4.166 4.350 -0.016 0.000 0.263 100 T C 1.546 176.198 174.700 -0.079 0.000 1.039 100 T CA 1.487 63.522 62.100 -0.109 0.000 1.142 100 T CB 0.070 68.891 68.868 -0.079 0.000 0.868 100 T HN 0.346 8.586 8.240 0.000 0.000 0.435 101 E N 0.631 120.796 120.200 -0.058 0.000 2.274 101 E HA 0.005 4.346 4.350 -0.016 0.000 0.194 101 E C 0.648 177.224 176.600 -0.040 0.000 0.996 101 E CA 0.437 56.814 56.400 -0.038 0.000 0.840 101 E CB 0.161 29.847 29.700 -0.024 0.000 0.772 101 E HN 0.416 8.776 8.360 0.000 0.000 0.491 102 Q N 0.745 120.512 119.800 -0.056 0.000 2.340 102 Q HA 0.128 4.458 4.340 -0.016 0.000 0.249 102 Q C -2.238 173.731 176.000 -0.051 0.000 0.957 102 Q CA -2.149 53.625 55.803 -0.049 0.000 0.882 102 Q CB -0.049 28.655 28.738 -0.056 0.000 1.235 102 Q HN -0.022 8.248 8.270 0.000 0.000 0.439 103 P HA 0.143 4.563 4.420 0.000 0.000 0.244 103 P C -0.472 176.813 177.300 -0.025 0.000 1.769 103 P CA 0.316 63.400 63.100 -0.027 0.000 1.102 103 P CB 0.171 31.861 31.700 -0.016 0.000 1.937 104 E N 0.472 120.644 120.200 -0.046 0.000 3.566 104 E HA 0.170 4.510 4.350 -0.016 0.000 0.241 104 E C 1.053 177.612 176.600 -0.069 0.000 1.208 104 E CA -0.114 56.260 56.400 -0.043 0.000 1.773 104 E CB -0.075 29.587 29.700 -0.064 0.000 1.818 104 E HN 0.140 8.500 8.360 0.000 0.000 0.865 105 L N 1.204 122.347 121.223 -0.134 0.000 2.766 105 L HA 0.368 4.698 4.340 -0.016 0.000 0.242 105 L C 2.044 178.862 176.870 -0.086 0.000 1.136 105 L CA 0.156 54.909 54.840 -0.145 0.000 0.933 105 L CB 0.321 42.212 42.059 -0.280 0.000 1.241 105 L HN 0.141 8.371 8.230 0.000 0.000 0.522 106 A N 1.710 124.491 122.820 -0.066 0.000 1.892 106 A HA -0.251 4.060 4.320 -0.016 0.000 0.218 106 A C 1.818 179.384 177.584 -0.029 0.000 1.188 106 A CA 2.346 54.357 52.037 -0.044 0.000 0.631 106 A CB -0.627 18.352 19.000 -0.035 0.000 0.822 106 A HN 0.693 8.843 8.150 0.000 0.000 0.447 107 N N -2.115 116.572 118.700 -0.022 0.000 2.392 107 N HA 0.003 4.733 4.740 -0.016 0.000 0.177 107 N C 0.807 176.310 175.510 -0.011 0.000 1.066 107 N CA 0.370 53.412 53.050 -0.013 0.000 0.895 107 N CB 0.086 38.568 38.487 -0.009 0.000 0.988 107 N HN 0.167 8.547 8.380 0.000 0.000 0.457 108 K N 0.947 121.337 120.400 -0.016 0.000 2.353 108 K HA 0.260 4.571 4.320 -0.016 0.000 0.195 108 K C -0.030 176.566 176.600 -0.008 0.000 1.031 108 K CA -0.024 56.257 56.287 -0.010 0.000 1.079 108 K CB 0.948 33.444 32.500 -0.006 0.000 0.857 108 K HN 0.000 8.250 8.250 0.000 0.000 0.535 109 V N 1.875 121.780 119.914 -0.015 0.000 2.483 109 V HA 0.100 4.210 4.120 -0.016 0.000 0.295 109 V C 0.739 176.830 176.094 -0.004 0.000 1.035 109 V CA -0.503 61.792 62.300 -0.008 0.000 0.896 109 V CB 1.948 33.756 31.823 -0.025 0.000 0.986 109 V HN 0.095 8.285 8.190 0.000 0.000 0.447 110 D N 3.614 124.019 120.400 0.008 0.000 2.589 110 D HA 0.200 4.830 4.640 -0.016 0.000 0.262 110 D C 0.572 176.865 176.300 -0.012 0.000 1.410 110 D CA 0.667 54.672 54.000 0.008 0.000 1.044 110 D CB 0.263 41.077 40.800 0.023 0.000 1.016 110 D HN 0.426 8.796 8.370 0.000 0.000 0.349 111 M N 0.934 120.527 119.600 -0.012 0.000 2.367 111 M HA 0.317 4.788 4.480 -0.016 0.000 0.339 111 M C -0.531 175.691 176.300 -0.131 0.000 1.177 111 M CA -1.028 54.202 55.300 -0.116 0.000 1.068 111 M CB 2.558 35.067 32.600 -0.152 0.000 1.602 111 M HN 0.063 8.353 8.290 0.000 0.000 0.457 112 V N 2.150 121.917 119.914 -0.246 0.000 2.417 112 V HA 0.536 4.647 4.120 -0.016 0.000 0.291 112 V C -2.086 173.836 176.094 -0.288 0.000 1.024 112 V CA -0.329 61.883 62.300 -0.146 0.000 0.861 112 V CB 0.933 32.709 31.823 -0.079 0.000 0.985 112 V HN 0.867 9.057 8.190 0.000 0.000 0.436 113 W N 5.559 126.840 121.300 -0.030 0.000 2.417 113 W HA 0.686 5.340 4.660 -0.011 0.000 0.315 113 W C -0.218 176.321 176.519 0.034 0.000 1.045 113 W CA -0.678 56.654 57.345 -0.023 0.000 1.221 113 W CB 1.738 31.142 29.460 -0.093 0.000 1.309 113 W HN 0.469 8.649 8.180 0.000 0.000 0.453 114 I N 4.663 125.420 120.570 0.312 0.000 2.304 114 I HA 0.061 4.221 4.170 -0.016 0.000 0.291 114 I C 1.028 177.349 176.117 0.340 0.000 1.018 114 I CA -0.412 61.035 61.300 0.245 0.000 1.260 114 I CB 0.964 39.092 38.000 0.213 0.000 1.390 114 I HN 0.434 8.644 8.210 0.000 0.000 0.475 115 V N 3.214 123.268 119.914 0.233 0.000 3.444 115 V HA 0.718 4.829 4.120 -0.016 0.000 0.308 115 V C 0.507 176.619 176.094 0.031 0.000 1.371 115 V CA 0.330 62.802 62.300 0.286 0.000 1.141 115 V CB -0.575 31.477 31.823 0.381 0.000 1.037 115 V HN 0.934 9.124 8.190 0.000 0.000 0.433 116 G N -1.473 107.066 108.800 -0.435 0.000 2.326 116 G HA2 0.457 4.407 3.960 -0.016 0.000 0.413 116 G HA3 0.457 4.407 3.960 -0.016 0.000 0.413 116 G C -0.251 174.398 174.900 -0.418 0.000 1.444 116 G CA -0.209 44.498 45.100 -0.655 0.000 1.002 116 G HN 0.923 9.213 8.290 0.000 0.000 0.649 117 G N -0.843 107.774 108.800 -0.305 0.000 2.736 117 G HA2 0.662 4.612 3.960 -0.016 0.000 0.229 117 G HA3 0.662 4.612 3.960 -0.016 0.000 0.229 117 G C 1.598 176.403 174.900 -0.158 0.000 1.380 117 G CA 1.090 46.067 45.100 -0.205 0.000 1.040 117 G HN 1.723 10.013 8.290 0.000 0.000 0.568 118 S N 0.029 115.795 115.700 0.110 0.000 2.387 118 S HA -0.201 4.259 4.470 -0.016 0.000 0.230 118 S C 2.459 177.119 174.600 0.101 0.000 1.035 118 S CA 2.000 60.326 58.200 0.211 0.000 1.014 118 S CB -0.681 62.626 63.200 0.177 0.000 0.836 118 S HN 0.518 8.828 8.310 0.000 0.000 0.466 119 S N 2.218 117.943 115.700 0.042 0.000 2.359 119 S HA -0.094 4.367 4.470 -0.016 0.000 0.224 119 S C 2.027 176.634 174.600 0.012 0.000 1.035 119 S CA 1.415 59.628 58.200 0.022 0.000 1.018 119 S CB -0.945 62.262 63.200 0.011 0.000 0.876 119 S HN 0.429 8.739 8.310 0.000 0.000 0.448 120 V N 0.508 120.403 119.914 -0.032 0.000 2.358 120 V HA -0.156 3.954 4.120 -0.016 0.000 0.246 120 V C 2.051 178.157 176.094 0.020 0.000 1.047 120 V CA 1.539 63.807 62.300 -0.053 0.000 1.035 120 V CB -1.075 30.667 31.823 -0.136 0.000 0.658 120 V HN 0.503 8.693 8.190 0.000 0.000 0.452 121 Y N 0.424 120.756 120.300 0.053 0.000 2.220 121 Y HA -0.165 4.374 4.550 -0.018 0.000 0.291 121 Y C 2.614 178.484 175.900 -0.050 0.000 1.129 121 Y CA 1.552 59.681 58.100 0.049 0.000 1.161 121 Y CB -0.151 38.373 38.460 0.106 0.000 0.997 121 Y HN 0.121 8.401 8.280 0.000 0.000 0.522 122 K N 0.859 121.312 120.400 0.088 0.000 2.211 122 K HA -0.259 4.051 4.320 -0.016 0.000 0.204 122 K C 1.814 178.434 176.600 0.032 0.000 1.047 122 K CA 1.828 58.113 56.287 -0.002 0.000 0.935 122 K CB -0.037 32.455 32.500 -0.014 0.000 0.728 122 K HN 0.353 8.603 8.250 0.000 0.000 0.452 123 E N -1.042 119.191 120.200 0.054 0.000 2.276 123 E HA 0.013 4.354 4.350 -0.016 0.000 0.193 123 E C 1.621 178.272 176.600 0.085 0.000 0.983 123 E CA 0.490 56.927 56.400 0.061 0.000 0.861 123 E CB 0.125 29.848 29.700 0.039 0.000 0.817 123 E HN 0.411 8.771 8.360 0.000 0.000 0.485 124 A N 0.821 123.697 122.820 0.093 0.000 1.898 124 A HA -0.125 4.186 4.320 -0.016 0.000 0.216 124 A C 2.041 179.726 177.584 0.168 0.000 1.181 124 A CA 1.014 53.108 52.037 0.095 0.000 0.620 124 A CB -0.405 18.665 19.000 0.117 0.000 0.819 124 A HN 0.244 8.394 8.150 0.000 0.000 0.442 125 M N 0.363 120.061 119.600 0.164 0.000 2.706 125 M HA -0.061 4.409 4.480 -0.016 0.000 0.251 125 M C -0.407 176.021 176.300 0.214 0.000 1.070 125 M CA 0.665 56.083 55.300 0.198 0.000 1.073 125 M CB -0.154 32.493 32.600 0.079 0.000 1.449 125 M HN 0.313 8.603 8.290 0.000 0.000 0.531 126 N N 0.215 119.019 118.700 0.172 0.000 2.672 126 N HA 0.127 4.857 4.740 -0.016 0.000 0.295 126 N C -1.225 174.388 175.510 0.171 0.000 1.924 126 N CA -0.129 53.006 53.050 0.141 0.000 0.851 126 N CB 0.355 38.899 38.487 0.095 0.000 1.281 126 N HN 0.251 8.631 8.380 0.000 0.000 0.494 127 H N 0.587 119.697 119.070 0.066 0.000 2.877 127 H HA 0.387 4.942 4.556 -0.001 0.000 0.347 127 H C -3.025 172.331 175.328 0.047 0.000 1.042 127 H CA -1.294 54.784 56.048 0.049 0.000 1.276 127 H CB 2.658 32.450 29.762 0.050 0.000 1.681 127 H HN -0.050 8.230 8.280 0.000 0.000 0.521 128 P HA 0.332 4.752 4.420 0.000 0.000 0.268 128 P C 0.198 177.333 177.300 -0.274 0.000 1.208 128 P CA 0.979 63.948 63.100 -0.219 0.000 0.777 128 P CB 0.724 32.325 31.700 -0.166 0.000 0.875 129 G N -0.016 108.733 108.800 -0.086 0.000 2.343 129 G HA2 0.040 3.990 3.960 -0.016 0.000 0.562 129 G HA3 0.040 3.990 3.960 -0.016 0.000 0.562 129 G C -1.751 173.217 174.900 0.114 0.000 1.269 129 G CA -0.811 44.293 45.100 0.006 0.000 1.011 129 G HN 0.773 9.063 8.290 0.000 0.000 0.498 130 H N -0.503 118.588 119.070 0.036 0.000 2.517 130 H HA 0.823 5.367 4.556 -0.020 0.000 0.317 130 H C -0.493 174.890 175.328 0.092 0.000 1.080 130 H CA -0.329 55.748 56.048 0.048 0.000 1.301 130 H CB 1.290 31.074 29.762 0.036 0.000 1.425 130 H HN 0.934 9.214 8.280 0.000 0.000 0.471 131 L N 4.213 125.370 121.223 -0.109 0.000 2.434 131 L HA 0.500 4.831 4.340 -0.016 0.000 0.260 131 L C -1.661 175.198 176.870 -0.018 0.000 0.983 131 L CA -0.585 54.220 54.840 -0.058 0.000 0.820 131 L CB 1.876 44.031 42.059 0.160 0.000 1.361 131 L HN 0.617 8.847 8.230 0.000 0.000 0.410 132 K N 4.343 124.739 120.400 -0.006 0.000 2.345 132 K HA 0.588 4.899 4.320 -0.016 0.000 0.255 132 K C -1.652 175.068 176.600 0.201 0.000 0.934 132 K CA -0.858 55.479 56.287 0.083 0.000 0.801 132 K CB 2.198 34.737 32.500 0.066 0.000 1.137 132 K HN 0.338 8.588 8.250 0.000 0.000 0.424 133 L N 3.476 124.798 121.223 0.165 0.000 2.280 133 L HA 0.384 4.714 4.340 -0.016 0.000 0.287 133 L C -0.859 176.103 176.870 0.154 0.000 1.023 133 L CA -0.224 54.723 54.840 0.178 0.000 0.819 133 L CB 0.279 42.334 42.059 -0.006 0.000 1.212 133 L HN 0.446 8.676 8.230 0.000 0.000 0.420 134 F N 3.984 124.036 119.950 0.171 0.000 2.303 134 F HA 0.413 4.930 4.527 -0.017 0.000 0.368 134 F C 0.134 176.041 175.800 0.178 0.000 1.105 134 F CA -0.772 57.359 58.000 0.218 0.000 1.153 134 F CB 0.916 40.096 39.000 0.299 0.000 1.362 134 F HN 0.034 8.334 8.300 0.000 0.000 0.511 135 V N 2.287 122.347 119.914 0.243 0.000 2.394 135 V HA 0.344 4.455 4.120 -0.016 0.000 0.282 135 V C 0.175 176.383 176.094 0.189 0.000 1.031 135 V CA -0.673 61.688 62.300 0.103 0.000 0.881 135 V CB 1.477 33.312 31.823 0.019 0.000 0.982 135 V HN 0.613 8.803 8.190 0.000 0.000 0.451 136 T N 5.968 120.614 114.554 0.153 0.000 2.811 136 T HA 0.316 4.656 4.350 -0.016 0.000 0.309 136 T C 0.233 174.903 174.700 -0.050 0.000 1.005 136 T CA -0.529 61.650 62.100 0.130 0.000 0.955 136 T CB -0.091 68.877 68.868 0.166 0.000 0.970 136 T HN 0.459 8.699 8.240 0.000 0.000 0.496 137 R N 3.223 123.681 120.500 -0.070 0.000 2.242 137 R HA 0.237 4.567 4.340 -0.016 0.000 0.334 137 R C -0.223 175.994 176.300 -0.139 0.000 1.071 137 R CA -0.591 55.453 56.100 -0.094 0.000 0.922 137 R CB 0.502 30.774 30.300 -0.046 0.000 1.023 137 R HN 0.453 8.723 8.270 0.000 0.000 0.458 138 I N 5.019 125.451 120.570 -0.229 0.000 2.308 138 I HA 0.068 4.228 4.170 -0.016 0.000 0.293 138 I C 1.383 177.444 176.117 -0.093 0.000 1.078 138 I CA -0.376 60.760 61.300 -0.273 0.000 1.292 138 I CB 0.564 38.144 38.000 -0.700 0.000 1.423 138 I HN 0.529 8.739 8.210 0.000 0.000 0.493 139 M N 6.424 125.994 119.600 -0.050 0.000 2.843 139 M HA -0.050 4.421 4.480 -0.016 0.000 0.201 139 M C 0.176 176.449 176.300 -0.046 0.000 1.148 139 M CA 0.693 55.969 55.300 -0.041 0.000 1.054 139 M CB -0.532 32.036 32.600 -0.052 0.000 1.810 139 M HN 0.576 8.866 8.290 0.000 0.000 0.464 140 Q N -2.720 117.046 119.800 -0.057 0.000 2.575 140 Q HA 0.420 4.750 4.340 -0.016 0.000 0.290 140 Q C -1.594 174.282 176.000 -0.207 0.000 0.963 140 Q CA -1.267 54.438 55.803 -0.164 0.000 0.783 140 Q CB 0.964 29.534 28.738 -0.281 0.000 1.467 140 Q HN -0.096 8.174 8.270 0.000 0.000 0.402 141 D N 0.716 120.955 120.400 -0.267 0.000 2.348 141 D HA 0.431 5.062 4.640 -0.016 0.000 0.253 141 D C -1.398 174.641 176.300 -0.435 0.000 1.161 141 D CA 0.519 54.413 54.000 -0.178 0.000 0.876 141 D CB 0.358 41.105 40.800 -0.087 0.000 1.160 141 D HN 0.216 8.586 8.370 0.000 0.000 0.459 142 F N 0.780 120.821 119.950 0.152 0.000 2.529 142 F HA 0.189 4.706 4.527 -0.017 0.000 0.320 142 F C 0.628 176.495 175.800 0.112 0.000 1.118 142 F CA -1.099 56.998 58.000 0.162 0.000 0.915 142 F CB 1.515 40.698 39.000 0.305 0.000 1.161 142 F HN 0.173 8.473 8.300 0.000 0.000 0.445 143 E N 2.299 122.665 120.200 0.277 0.000 2.415 143 E HA 0.343 4.683 4.350 -0.016 0.000 0.260 143 E C -0.830 175.826 176.600 0.095 0.000 1.016 143 E CA 0.389 56.886 56.400 0.162 0.000 0.924 143 E CB 0.524 30.293 29.700 0.116 0.000 0.961 143 E HN 0.627 8.987 8.360 0.000 0.000 0.459 144 S N 2.742 118.474 115.700 0.052 0.000 2.661 144 S HA 0.243 4.704 4.470 -0.016 0.000 0.285 144 S C -0.660 173.887 174.600 -0.087 0.000 1.138 144 S CA -0.644 57.476 58.200 -0.133 0.000 0.855 144 S CB 1.382 64.327 63.200 -0.424 0.000 1.136 144 S HN 0.754 9.064 8.310 0.000 0.000 0.484 145 D N -0.862 119.417 120.400 -0.201 0.000 2.516 145 D HA 0.144 4.774 4.640 -0.016 0.000 0.241 145 D C 0.137 176.443 176.300 0.010 0.000 1.246 145 D CA 0.102 54.111 54.000 0.016 0.000 0.808 145 D CB 0.288 41.100 40.800 0.021 0.000 1.147 145 D HN 0.419 8.789 8.370 0.000 0.000 0.527 146 T N -0.930 113.432 114.554 -0.321 0.000 2.912 146 T HA 0.663 5.003 4.350 -0.016 0.000 0.299 146 T C -1.822 172.557 174.700 -0.535 0.000 1.052 146 T CA -0.523 61.484 62.100 -0.154 0.000 0.996 146 T CB 1.010 69.856 68.868 -0.037 0.000 1.070 146 T HN -0.071 8.169 8.240 0.000 0.000 0.465 147 F N 2.067 122.090 119.950 0.121 0.000 2.613 147 F HA 0.640 5.157 4.527 -0.017 0.000 0.314 147 F C -0.503 175.416 175.800 0.199 0.000 1.075 147 F CA -1.304 56.794 58.000 0.163 0.000 0.945 147 F CB 1.483 40.551 39.000 0.112 0.000 1.310 147 F HN 0.608 8.908 8.300 0.000 0.000 0.467 148 F N 4.359 124.461 119.950 0.253 0.000 2.429 148 F HA 0.488 5.006 4.527 -0.016 0.000 0.348 148 F C -2.009 173.867 175.800 0.126 0.000 1.109 148 F CA -2.155 55.923 58.000 0.131 0.000 1.232 148 F CB 0.484 39.488 39.000 0.007 0.000 1.157 148 F HN 0.160 8.460 8.300 0.000 0.000 0.564 149 P HA 0.036 4.456 4.420 0.000 0.000 0.273 149 P C -1.272 175.900 177.300 -0.215 0.000 1.250 149 P CA -0.392 62.528 63.100 -0.299 0.000 0.793 149 P CB 0.317 31.794 31.700 -0.370 0.000 1.011 150 E N 0.941 121.082 120.200 -0.098 0.000 2.373 150 E HA 0.180 4.520 4.350 -0.016 0.000 0.267 150 E C -0.661 175.903 176.600 -0.060 0.000 1.032 150 E CA -0.435 55.946 56.400 -0.032 0.000 0.889 150 E CB 0.222 29.917 29.700 -0.008 0.000 0.984 150 E HN 0.280 8.640 8.360 0.000 0.000 0.425 151 I N 2.851 123.395 120.570 -0.043 0.000 2.371 151 I HA 0.014 4.175 4.170 -0.016 0.000 0.290 151 I C 0.167 176.297 176.117 0.022 0.000 1.028 151 I CA -0.421 60.814 61.300 -0.108 0.000 1.345 151 I CB 0.843 38.665 38.000 -0.297 0.000 1.407 151 I HN 0.568 8.778 8.210 0.000 0.000 0.501 152 D N 7.103 127.591 120.400 0.148 0.000 2.402 152 D HA 0.140 4.770 4.640 -0.016 0.000 0.235 152 D C 0.958 177.409 176.300 0.252 0.000 1.226 152 D CA 0.005 54.122 54.000 0.195 0.000 0.918 152 D CB 0.706 41.626 40.800 0.200 0.000 1.043 152 D HN 0.422 8.792 8.370 0.000 0.000 0.506 153 L N 2.577 123.905 121.223 0.175 0.000 2.456 153 L HA -0.064 4.266 4.340 -0.016 0.000 0.224 153 L C 1.901 178.852 176.870 0.134 0.000 1.148 153 L CA 0.589 55.541 54.840 0.187 0.000 0.825 153 L CB -0.088 42.067 42.059 0.160 0.000 0.937 153 L HN 0.333 8.563 8.230 0.000 0.000 0.450 154 E N 0.214 120.473 120.200 0.098 0.000 2.285 154 E HA -0.109 4.232 4.350 -0.016 0.000 0.194 154 E C 1.840 178.457 176.600 0.029 0.000 0.997 154 E CA 0.802 57.236 56.400 0.057 0.000 0.845 154 E CB 0.266 29.991 29.700 0.040 0.000 0.782 154 E HN 0.470 8.830 8.360 0.000 0.000 0.491 155 K N -0.735 119.680 120.400 0.025 0.000 2.306 155 K HA 0.085 4.395 4.320 -0.016 0.000 0.200 155 K C -0.001 176.450 176.600 -0.248 0.000 1.083 155 K CA 0.067 56.281 56.287 -0.121 0.000 0.959 155 K CB 0.523 32.919 32.500 -0.174 0.000 0.994 155 K HN -0.037 8.213 8.250 0.000 0.000 0.492 156 Y N 1.984 122.345 120.300 0.102 0.000 2.313 156 Y HA 0.199 4.748 4.550 -0.003 0.000 0.332 156 Y C 0.013 176.038 175.900 0.208 0.000 1.071 156 Y CA -0.452 57.746 58.100 0.164 0.000 1.169 156 Y CB 1.028 39.594 38.460 0.176 0.000 1.192 156 Y HN -0.328 7.952 8.280 0.000 0.000 0.487 157 K N 3.796 124.368 120.400 0.286 0.000 2.185 157 K HA 0.269 4.580 4.320 -0.016 0.000 0.269 157 K C -1.026 175.627 176.600 0.089 0.000 0.987 157 K CA -1.090 55.303 56.287 0.177 0.000 0.865 157 K CB 2.131 34.683 32.500 0.087 0.000 1.090 157 K HN 0.497 8.747 8.250 0.000 0.000 0.450 158 L N 4.730 125.917 121.223 -0.061 0.000 2.418 158 L HA 0.154 4.484 4.340 -0.016 0.000 0.274 158 L C -0.493 176.241 176.870 -0.228 0.000 1.135 158 L CA 0.195 54.765 54.840 -0.450 0.000 0.870 158 L CB 0.042 41.864 42.059 -0.395 0.000 1.154 158 L HN 0.462 8.692 8.230 0.000 0.000 0.462 159 L N 7.711 128.807 121.223 -0.212 0.000 2.397 159 L HA 0.252 4.582 4.340 -0.016 0.000 0.271 159 L C -1.116 175.720 176.870 -0.058 0.000 1.148 159 L CA -1.452 53.347 54.840 -0.069 0.000 0.825 159 L CB 0.460 42.514 42.059 -0.009 0.000 1.117 159 L HN 0.575 8.805 8.230 0.000 0.000 0.456 160 P HA -0.071 4.349 4.420 0.000 0.000 0.223 160 P C -0.726 176.582 177.300 0.014 0.000 1.151 160 P CA 0.842 63.938 63.100 -0.007 0.000 0.787 160 P CB 0.344 32.045 31.700 0.001 0.000 0.788 161 E N -3.937 116.290 120.200 0.045 0.000 2.427 161 E HA 0.470 4.810 4.350 -0.016 0.000 0.279 161 E C -1.598 175.108 176.600 0.176 0.000 1.120 161 E CA -0.991 55.462 56.400 0.088 0.000 0.869 161 E CB 0.769 30.507 29.700 0.063 0.000 1.393 161 E HN -0.193 8.167 8.360 0.000 0.000 0.443 162 Y N 0.198 120.517 120.300 0.032 0.000 2.390 162 Y HA 0.328 4.868 4.550 -0.016 0.000 0.324 162 Y C -2.738 173.216 175.900 0.091 0.000 1.151 162 Y CA -1.840 56.296 58.100 0.061 0.000 1.053 162 Y CB 2.008 40.510 38.460 0.070 0.000 1.277 162 Y HN 0.427 8.707 8.280 0.000 0.000 0.432 163 P HA 0.213 4.633 4.420 0.000 0.000 0.261 163 P C 0.658 178.005 177.300 0.078 0.000 1.183 163 P CA 1.920 64.963 63.100 -0.095 0.000 0.761 163 P CB 0.469 32.051 31.700 -0.196 0.000 0.785 164 G N 1.490 110.360 108.800 0.117 0.000 2.176 164 G HA2 -0.185 3.765 3.960 -0.016 0.000 0.253 164 G HA3 -0.185 3.765 3.960 -0.016 0.000 0.253 164 G C -0.109 174.917 174.900 0.211 0.000 0.979 164 G CA -0.088 45.101 45.100 0.148 0.000 0.641 164 G HN 0.551 8.841 8.290 0.000 0.000 0.530 165 V N 1.696 121.767 119.914 0.262 0.000 2.409 165 V HA 0.593 4.703 4.120 -0.016 0.000 0.291 165 V C 0.335 176.551 176.094 0.203 0.000 1.020 165 V CA -1.143 61.315 62.300 0.264 0.000 0.848 165 V CB 1.664 33.715 31.823 0.380 0.000 0.990 165 V HN 0.203 8.393 8.190 0.000 0.000 0.430 166 L N 3.877 125.218 121.223 0.196 0.000 2.418 166 L HA 0.233 4.564 4.340 -0.016 0.000 0.274 166 L C 1.480 178.483 176.870 0.222 0.000 1.135 166 L CA 0.802 55.770 54.840 0.213 0.000 0.870 166 L CB 0.969 43.181 42.059 0.255 0.000 1.154 166 L HN 0.750 8.980 8.230 0.000 0.000 0.462 167 S N 0.917 116.689 115.700 0.120 0.000 2.527 167 S HA -0.011 4.449 4.470 -0.016 0.000 0.222 167 S C 0.373 174.978 174.600 0.008 0.000 0.985 167 S CA 0.057 58.296 58.200 0.065 0.000 0.921 167 S CB -0.239 62.989 63.200 0.047 0.000 0.772 167 S HN 0.825 9.135 8.310 0.000 0.000 0.529 168 D N 0.565 120.960 120.400 -0.009 0.000 2.326 168 D HA 0.263 4.893 4.640 -0.016 0.000 0.251 168 D C -0.111 176.104 176.300 -0.143 0.000 1.023 168 D CA -0.685 53.277 54.000 -0.063 0.000 0.966 168 D CB 0.878 41.650 40.800 -0.046 0.000 1.156 168 D HN -0.155 8.215 8.370 0.000 0.000 0.494 169 V N 1.562 121.375 119.914 -0.169 0.000 2.617 169 V HA -0.042 4.068 4.120 -0.016 0.000 0.304 169 V C 0.682 176.569 176.094 -0.345 0.000 1.040 169 V CA 0.176 62.321 62.300 -0.257 0.000 1.149 169 V CB 0.035 31.746 31.823 -0.188 0.000 0.914 169 V HN 0.449 8.639 8.190 0.000 0.000 0.487 170 Q N 3.494 122.932 119.800 -0.603 0.000 2.195 170 Q HA 0.658 4.988 4.340 -0.016 0.000 0.250 170 Q C -0.400 175.160 176.000 -0.733 0.000 0.988 170 Q CA -0.575 54.761 55.803 -0.778 0.000 0.911 170 Q CB 2.259 30.231 28.738 -1.276 0.000 1.258 170 Q HN 0.818 9.088 8.270 0.000 0.000 0.475 171 E N 0.592 120.483 120.200 -0.515 0.000 2.287 171 E HA 0.315 4.655 4.350 -0.016 0.000 0.274 171 E C -1.477 175.089 176.600 -0.056 0.000 0.896 171 E CA -0.034 56.220 56.400 -0.243 0.000 0.788 171 E CB 1.388 31.005 29.700 -0.139 0.000 1.244 171 E HN 0.472 8.832 8.360 0.000 0.000 0.408 172 E N 2.747 123.000 120.200 0.089 0.000 2.331 172 E HA 0.261 4.601 4.350 -0.016 0.000 0.275 172 E C -1.104 175.541 176.600 0.076 0.000 0.895 172 E CA -0.998 55.461 56.400 0.098 0.000 0.753 172 E CB 1.891 31.665 29.700 0.122 0.000 1.216 172 E HN 0.410 8.770 8.360 0.000 0.000 0.434 173 K N 0.857 121.284 120.400 0.045 0.000 3.213 173 K HA -0.272 4.039 4.320 -0.016 0.000 0.266 173 K C 0.631 177.265 176.600 0.056 0.000 0.911 173 K CA 0.710 57.023 56.287 0.044 0.000 0.684 173 K CB -1.697 30.831 32.500 0.047 0.000 1.402 173 K HN 1.045 9.295 8.250 0.000 0.000 0.465 174 G N -0.139 108.684 108.800 0.039 0.000 2.203 174 G HA2 -0.307 3.644 3.960 -0.016 0.000 0.263 174 G HA3 -0.307 3.644 3.960 -0.016 0.000 0.263 174 G C 0.099 175.029 174.900 0.050 0.000 1.012 174 G CA 0.585 45.704 45.100 0.033 0.000 0.749 174 G HN 0.493 8.783 8.290 0.000 0.000 0.512 175 I N 0.516 121.130 120.570 0.074 0.000 2.389 175 I HA 0.343 4.504 4.170 -0.016 0.000 0.288 175 I C 0.082 176.255 176.117 0.093 0.000 0.999 175 I CA -0.899 60.467 61.300 0.109 0.000 1.129 175 I CB 1.526 39.624 38.000 0.163 0.000 1.288 175 I HN -0.155 8.055 8.210 0.000 0.000 0.444 176 K N 7.113 127.532 120.400 0.031 0.000 2.172 176 K HA 0.523 4.834 4.320 -0.016 0.000 0.276 176 K C -1.137 175.457 176.600 -0.010 0.000 1.013 176 K CA -0.509 55.739 56.287 -0.066 0.000 0.913 176 K CB 1.691 34.136 32.500 -0.092 0.000 1.055 176 K HN 0.563 8.813 8.250 0.000 0.000 0.461 177 Y N -0.931 119.226 120.300 -0.239 0.000 2.597 177 Y HA 0.555 5.095 4.550 -0.016 0.000 0.340 177 Y C -0.803 174.830 175.900 -0.444 0.000 1.097 177 Y CA -1.389 56.512 58.100 -0.332 0.000 1.037 177 Y CB 1.585 39.805 38.460 -0.400 0.000 1.305 177 Y HN 0.505 8.785 8.280 0.000 0.000 0.463 178 K N 1.154 121.358 120.400 -0.326 0.000 2.482 178 K HA 0.623 4.933 4.320 -0.016 0.000 0.257 178 K C -2.104 174.196 176.600 -0.500 0.000 0.969 178 K CA -0.773 55.219 56.287 -0.493 0.000 0.842 178 K CB 2.273 34.617 32.500 -0.259 0.000 1.359 178 K HN 0.681 8.931 8.250 0.000 0.000 0.441 179 F N 1.200 121.110 119.950 -0.065 0.000 2.408 179 F HA 0.352 4.869 4.527 -0.017 0.000 0.344 179 F C 0.126 175.906 175.800 -0.032 0.000 1.112 179 F CA -0.540 57.418 58.000 -0.071 0.000 1.096 179 F CB 1.567 40.464 39.000 -0.173 0.000 1.129 179 F HN 0.404 8.704 8.300 0.000 0.000 0.486 180 E N 1.921 122.229 120.200 0.181 0.000 2.288 180 E HA 0.645 4.986 4.350 -0.016 0.000 0.268 180 E C -1.462 175.087 176.600 -0.084 0.000 0.885 180 E CA -1.097 55.312 56.400 0.015 0.000 0.767 180 E CB 3.183 32.891 29.700 0.013 0.000 1.220 180 E HN 0.254 8.614 8.360 0.000 0.000 0.427 181 V N 2.597 122.317 119.914 -0.323 0.000 2.444 181 V HA 0.352 4.462 4.120 -0.016 0.000 0.294 181 V C -1.368 174.447 176.094 -0.465 0.000 1.022 181 V CA -0.827 61.146 62.300 -0.545 0.000 0.850 181 V CB 0.464 31.766 31.823 -0.869 0.000 0.992 181 V HN 0.564 8.754 8.190 0.000 0.000 0.426 182 Y N 2.196 122.372 120.300 -0.207 0.000 2.429 182 Y HA 0.671 5.210 4.550 -0.018 0.000 0.342 182 Y C 0.206 176.145 175.900 0.065 0.000 1.004 182 Y CA -0.801 57.298 58.100 -0.001 0.000 1.075 182 Y CB 1.924 40.424 38.460 0.066 0.000 1.214 182 Y HN 0.636 8.916 8.280 0.000 0.000 0.455 183 E N 2.763 123.136 120.200 0.289 0.000 2.266 183 E HA 0.522 4.863 4.350 -0.016 0.000 0.268 183 E C -1.465 175.252 176.600 0.195 0.000 0.879 183 E CA -1.031 55.509 56.400 0.233 0.000 0.762 183 E CB 1.838 31.648 29.700 0.182 0.000 1.199 183 E HN 0.639 8.999 8.360 0.000 0.000 0.422 184 K N 2.782 123.254 120.400 0.120 0.000 2.508 184 K HA 0.415 4.725 4.320 -0.016 0.000 0.260 184 K C -1.711 174.963 176.600 0.124 0.000 0.949 184 K CA -0.765 55.459 56.287 -0.105 0.000 0.834 184 K CB 1.840 33.961 32.500 -0.632 0.000 1.365 184 K HN 0.494 8.744 8.250 0.000 0.000 0.437 185 N N 2.531 121.253 118.700 0.036 0.000 2.747 185 N HA 0.097 4.828 4.740 -0.016 0.000 0.262 185 N C -2.179 173.324 175.510 -0.012 0.000 1.261 185 N CA -0.374 52.720 53.050 0.072 0.000 0.809 185 N CB 0.853 39.365 38.487 0.041 0.000 1.450 185 N HN 0.846 9.226 8.380 0.000 0.000 0.560 186 D N 0.000 120.389 120.400 -0.019 0.000 6.856 186 D HA 0.000 4.630 4.640 -0.016 0.000 0.175 186 D CA 0.000 53.977 54.000 -0.038 0.000 0.868 186 D CB 0.000 40.764 40.800 -0.059 0.000 0.688 186 D HN 0.000 8.370 8.370 0.000 0.000 0.683