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 2k23_1_A DATA FIRST_RESID 1 DATA SEQUENCE QDSTQNLIPA PPLISVPLQP GFWTERFQGR WFVVGLAGNA VQKERQSRFT DATA SEQUENCE MYSTIYELQE DNSYNVTSIL VRGQGcRYWI RTFVPSSRPG QFTLGNIHSY DATA SEQUENCE PQIQSYDVQV ADTDYDQFAM VFFQKTSENK QYFKVTLYGR TKGLSDELKE DATA SEQUENCE RFVSFAKSLG LKDNNIVFSV PTDQcIDN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 4.346 4.340 0.010 0.000 0.214 1 Q C 0.000 176.007 176.000 0.012 0.000 1.003 1 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 1 Q CB 0.000 28.731 28.738 -0.012 0.000 1.108 2 D N -0.808 119.605 120.400 0.020 0.000 2.828 2 D HA -0.239 4.429 4.640 0.047 0.000 0.241 2 D C -0.871 175.448 176.300 0.031 0.000 1.142 2 D CA 0.836 54.855 54.000 0.031 0.000 0.755 2 D CB 0.147 40.959 40.800 0.019 0.000 1.014 2 D HN 0.239 8.620 8.370 0.019 0.000 0.420 3 S N -1.328 114.395 115.700 0.039 0.000 2.961 3 S HA 0.020 4.507 4.470 0.028 0.000 0.253 3 S C 0.045 174.667 174.600 0.036 0.000 1.029 3 S CA 0.669 58.888 58.200 0.031 0.000 1.087 3 S CB 0.741 63.953 63.200 0.021 0.000 0.932 3 S HN -0.079 8.261 8.310 0.050 0.000 0.418 4 T N 5.351 119.934 114.554 0.047 0.000 3.842 4 T HA -0.064 4.305 4.350 0.032 0.000 0.267 4 T C -0.436 174.310 174.700 0.076 0.000 1.173 4 T CA 0.597 62.727 62.100 0.051 0.000 1.142 4 T CB -1.108 67.789 68.868 0.049 0.000 1.191 4 T HN -0.149 8.120 8.240 0.049 0.000 0.895 5 Q N 2.057 121.890 119.800 0.055 0.000 2.247 5 Q HA 0.062 4.451 4.340 0.082 0.000 0.205 5 Q C -1.804 174.211 176.000 0.026 0.000 0.896 5 Q CA -0.174 55.661 55.803 0.054 0.000 0.950 5 Q CB 0.507 29.272 28.738 0.046 0.000 1.054 5 Q HN -0.398 7.857 8.270 0.041 0.039 0.482 6 N N -2.089 116.624 118.700 0.021 0.000 2.296 6 N HA 0.198 4.941 4.740 0.005 0.000 0.294 6 N C -1.473 174.048 175.510 0.019 0.000 1.033 6 N CA -0.800 52.258 53.050 0.013 0.000 0.839 6 N CB 2.048 40.544 38.487 0.016 0.000 1.395 6 N HN -0.389 7.893 8.380 0.029 0.116 0.479 7 L N -0.397 120.842 121.223 0.028 0.000 2.289 7 L HA 0.305 4.730 4.340 0.141 0.000 0.285 7 L C -0.668 176.298 176.870 0.160 0.000 1.049 7 L CA -0.475 54.435 54.840 0.116 0.000 0.804 7 L CB 1.021 43.129 42.059 0.082 0.000 1.195 7 L HN -0.036 8.198 8.230 0.007 0.000 0.428 8 I N 2.176 122.934 120.570 0.312 0.000 3.079 8 I HA 0.144 4.401 4.170 0.145 0.000 0.295 8 I C -1.363 174.929 176.117 0.291 0.000 1.094 8 I CA -2.274 59.201 61.300 0.292 0.000 1.295 8 I CB 1.059 39.206 38.000 0.245 0.000 1.443 8 I HN 0.195 8.618 8.210 0.357 0.000 0.607 9 P HA -0.209 4.176 4.420 -0.057 0.000 0.185 9 P C -1.717 175.442 177.300 -0.235 0.000 0.860 9 P CA 0.755 63.852 63.100 -0.006 0.000 1.176 9 P CB -1.199 30.533 31.700 0.052 0.000 1.233 10 A N 4.013 126.483 122.820 -0.584 0.000 2.415 10 A HA 0.270 2.971 4.320 -2.698 0.000 0.309 10 A C -1.811 175.432 177.584 -0.568 0.000 1.356 10 A CA -2.376 48.893 52.037 -1.280 0.000 0.998 10 A CB 0.041 18.410 19.000 -1.053 0.000 1.145 10 A HN -0.509 7.425 8.150 -0.359 0.000 0.545 11 P HA 0.343 4.682 4.420 -0.136 0.000 0.284 11 P C -2.334 174.959 177.300 -0.012 0.000 1.253 11 P CA -2.076 60.971 63.100 -0.090 0.000 0.800 11 P CB 0.086 31.820 31.700 0.057 0.000 0.961 12 P HA 0.108 4.763 4.420 -0.048 -0.264 0.274 12 P C 1.138 178.269 177.300 -0.281 0.000 1.256 12 P CA -2.023 61.005 63.100 -0.120 0.000 0.795 12 P CB 1.317 32.940 31.700 -0.128 0.000 1.038 13 L N 1.784 122.863 121.223 -0.239 0.000 2.089 13 L HA -0.307 3.712 4.340 -0.535 0.000 0.213 13 L C 1.586 178.224 176.870 -0.387 0.000 1.079 13 L CA 3.148 57.772 54.840 -0.360 0.000 0.758 13 L CB -0.595 41.340 42.059 -0.208 0.000 0.891 13 L HN -0.006 8.281 8.230 -0.127 -0.133 0.433 14 I N -10.523 109.885 120.570 -0.269 0.000 3.083 14 I HA -0.220 3.830 4.170 -0.201 0.000 0.273 14 I C 0.111 176.094 176.117 -0.222 0.000 1.297 14 I CA 1.567 62.739 61.300 -0.213 0.000 1.452 14 I CB -0.937 36.971 38.000 -0.153 0.000 1.078 14 I HN -0.039 7.996 8.210 -0.225 0.040 0.484 15 S N -0.491 115.027 115.700 -0.303 0.000 2.501 15 S HA -0.048 4.309 4.470 -0.188 0.000 0.220 15 S C -0.111 174.321 174.600 -0.280 0.000 0.997 15 S CA 1.431 59.471 58.200 -0.268 0.000 0.919 15 S CB 1.058 64.100 63.200 -0.264 0.000 0.778 15 S HN -0.078 7.812 8.310 -0.385 0.189 0.523 16 V N 3.973 123.657 119.914 -0.384 0.000 2.435 16 V HA 0.406 4.486 4.120 -0.068 0.000 0.290 16 V C -2.463 173.556 176.094 -0.124 0.000 1.030 16 V CA -3.988 58.177 62.300 -0.226 0.000 0.881 16 V CB 2.019 33.612 31.823 -0.382 0.000 0.983 16 V HN -0.276 7.455 8.190 -0.484 0.169 0.445 17 P HA 0.186 4.569 4.420 -0.062 0.000 0.277 17 P C -1.764 175.497 177.300 -0.064 0.000 1.271 17 P CA -0.867 62.218 63.100 -0.024 0.000 0.795 17 P CB 1.060 32.784 31.700 0.040 0.000 1.101 18 L N -2.097 119.077 121.223 -0.082 0.000 2.333 18 L HA 0.184 4.543 4.340 -0.167 -0.119 0.269 18 L C -0.214 176.630 176.870 -0.045 0.000 1.010 18 L CA -2.103 52.663 54.840 -0.123 0.000 0.818 18 L CB 3.755 45.707 42.059 -0.179 0.000 1.306 18 L HN -0.127 8.066 8.230 -0.061 0.000 0.430 19 Q N 2.945 122.738 119.800 -0.011 0.000 2.244 19 Q HA 0.090 4.476 4.340 0.078 0.000 0.276 19 Q C -1.443 174.632 176.000 0.125 0.000 1.122 19 Q CA -1.271 54.596 55.803 0.107 0.000 0.920 19 Q CB 0.042 28.945 28.738 0.274 0.000 1.186 19 Q HN 0.209 8.434 8.270 -0.075 0.000 0.393 20 P HA -0.045 4.413 4.420 0.063 0.000 0.239 20 P C -0.909 176.460 177.300 0.115 0.000 1.184 20 P CA 0.119 63.269 63.100 0.084 0.000 0.760 20 P CB 0.047 31.785 31.700 0.063 0.000 0.884 21 G N -1.591 107.307 108.800 0.162 0.000 4.831 21 G HA2 0.098 4.151 3.960 0.157 0.000 0.231 21 G HA3 0.098 4.140 3.960 0.138 0.000 0.231 21 G C -2.524 172.522 174.900 0.244 0.000 1.006 21 G CA -0.053 45.151 45.100 0.172 0.000 0.792 21 G HN -0.259 8.278 8.290 0.185 -0.135 0.546 22 F N 0.314 120.351 119.950 0.145 0.000 2.427 22 F HA 0.057 4.712 4.527 0.212 0.000 0.352 22 F C -1.269 174.721 175.800 0.316 0.000 1.100 22 F CA -0.024 58.084 58.000 0.180 0.000 1.191 22 F CB 1.723 40.754 39.000 0.051 0.000 1.128 22 F HN -0.814 7.700 8.300 0.358 0.000 0.533 23 W N 8.470 129.403 121.300 -0.613 0.000 3.022 23 W HA 0.146 4.734 4.660 -0.120 0.000 0.335 23 W C -0.492 175.732 176.519 -0.492 0.000 1.133 23 W CA -1.804 55.337 57.345 -0.340 0.000 1.219 23 W CB 3.695 33.072 29.460 -0.139 0.000 1.409 23 W HN -0.346 7.408 8.180 -0.710 0.000 0.507 24 T N 2.616 116.729 114.554 -0.736 0.000 2.635 24 T HA -0.424 3.946 4.350 0.033 0.000 0.267 24 T C 1.658 176.263 174.700 -0.159 0.000 1.040 24 T CA 2.707 64.625 62.100 -0.302 0.000 1.156 24 T CB 0.255 68.942 68.868 -0.302 0.000 0.863 24 T HN 0.158 7.648 8.240 -1.250 0.000 0.430 25 E N 0.985 121.107 120.200 -0.129 0.000 2.347 25 E HA -0.206 4.169 4.350 0.041 0.000 0.196 25 E C 1.174 177.886 176.600 0.187 0.000 1.008 25 E CA 1.853 58.321 56.400 0.114 0.000 0.852 25 E CB -0.493 29.369 29.700 0.271 0.000 0.783 25 E HN 0.520 8.608 8.360 -0.453 0.000 0.505 26 R N -4.306 116.319 120.500 0.209 0.000 2.320 26 R HA -0.029 4.471 4.340 0.267 0.000 0.211 26 R C -0.637 175.742 176.300 0.131 0.000 0.931 26 R CA 0.946 57.172 56.100 0.210 0.000 1.071 26 R CB -0.433 29.996 30.300 0.214 0.000 1.025 26 R HN -0.721 7.526 8.270 0.205 0.147 0.495 27 F N -0.449 119.407 119.950 -0.156 0.000 2.810 27 F HA 0.306 4.546 4.527 -0.478 0.000 0.353 27 F C -1.803 173.815 175.800 -0.303 0.000 1.227 27 F CA -1.240 56.553 58.000 -0.345 0.000 1.210 27 F CB 1.283 40.109 39.000 -0.289 0.000 1.039 27 F HN -0.657 7.473 8.300 0.054 0.202 0.509 28 Q N 0.728 120.583 119.800 0.091 0.000 2.353 28 Q HA 0.483 5.036 4.340 0.041 -0.188 0.268 28 Q C -0.936 175.279 176.000 0.358 0.000 1.045 28 Q CA -1.176 54.699 55.803 0.120 0.000 0.811 28 Q CB 3.364 32.105 28.738 0.005 0.000 1.305 28 Q HN -0.847 7.466 8.270 0.181 0.065 0.447 29 G N 5.445 114.391 108.800 0.243 0.000 2.298 29 G HA2 -0.147 3.819 3.960 0.010 0.000 0.309 29 G HA3 -0.147 3.892 3.960 0.132 0.000 0.309 29 G C -2.726 172.179 174.900 0.008 0.000 1.279 29 G CA -0.379 44.794 45.100 0.122 0.000 1.042 29 G HN 0.903 9.154 8.290 0.134 0.119 0.480 30 R N 1.361 121.752 120.500 -0.181 0.000 2.229 30 R HA 0.125 4.246 4.340 -0.365 0.000 0.328 30 R C -1.197 174.854 176.300 -0.415 0.000 1.009 30 R CA -0.438 55.457 56.100 -0.343 0.000 0.864 30 R CB 0.147 30.205 30.300 -0.404 0.000 1.085 30 R HN 0.156 8.295 8.270 -0.218 0.000 0.453 31 W N 4.171 125.115 121.300 -0.594 0.000 2.532 31 W HA 0.282 4.986 4.660 -0.175 -0.149 0.321 31 W C -1.454 174.842 176.519 -0.371 0.000 1.037 31 W CA -1.425 55.692 57.345 -0.380 0.000 1.220 31 W CB 3.224 32.484 29.460 -0.332 0.000 1.361 31 W HN -0.112 7.852 8.180 -0.359 0.000 0.468 32 F N 1.649 121.671 119.950 0.120 0.000 2.379 32 F HA 0.261 5.026 4.527 0.159 -0.143 0.332 32 F C 0.280 176.298 175.800 0.365 0.000 1.096 32 F CA -1.059 57.045 58.000 0.173 0.000 1.105 32 F CB 1.994 41.049 39.000 0.091 0.000 1.189 32 F HN 0.796 9.234 8.300 0.230 0.000 0.515 33 V N 2.621 122.884 119.914 0.582 0.000 2.427 33 V HA -0.013 4.707 4.120 0.755 -0.147 0.268 33 V C -0.486 175.804 176.094 0.326 0.000 1.046 33 V CA 0.691 63.312 62.300 0.535 0.000 0.970 33 V CB -1.100 30.966 31.823 0.406 0.000 1.001 33 V HN -0.033 8.470 8.190 0.522 0.000 0.476 34 V N 4.344 124.419 119.914 0.267 0.000 3.427 34 V HA 0.136 4.366 4.120 0.183 0.000 0.305 34 V C -1.358 174.825 176.094 0.148 0.000 1.412 34 V CA -0.908 61.512 62.300 0.200 0.000 1.086 34 V CB 0.461 32.414 31.823 0.218 0.000 0.964 34 V HN 1.064 9.308 8.190 0.286 0.117 0.439 35 G N -2.567 106.201 108.800 -0.054 0.000 2.387 35 G HA2 0.364 4.380 3.960 0.094 0.000 0.294 35 G HA3 0.364 3.907 3.960 -0.695 0.000 0.294 35 G C -3.629 170.803 174.900 -0.779 0.000 1.509 35 G CA 0.705 45.590 45.100 -0.358 0.000 0.806 35 G HN -0.692 7.516 8.290 -0.041 0.058 0.546 36 L N -0.175 120.667 121.223 -0.635 0.000 2.526 36 L HA 0.623 4.668 4.340 -0.677 -0.112 0.263 36 L C -3.137 173.634 176.870 -0.165 0.000 0.943 36 L CA 0.054 54.560 54.840 -0.557 0.000 0.859 36 L CB 4.745 46.306 42.059 -0.830 0.000 1.313 36 L HN 0.029 8.132 8.230 -0.213 0.000 0.406 37 A N 2.461 125.240 122.820 -0.068 0.000 2.454 37 A HA 0.899 5.335 4.320 -0.021 -0.128 0.302 37 A C -1.667 175.846 177.584 -0.118 0.000 1.079 37 A CA -1.965 50.093 52.037 0.035 0.000 0.731 37 A CB 3.779 22.938 19.000 0.265 0.000 1.299 37 A HN 1.019 8.960 8.150 -0.190 0.095 0.413 38 G N 0.035 108.739 108.800 -0.161 0.000 2.329 38 G HA2 -0.129 3.661 3.960 -0.284 0.000 0.308 38 G HA3 -0.129 3.696 3.960 -0.317 -0.055 0.308 38 G C -1.072 173.614 174.900 -0.357 0.000 1.587 38 G CA 0.254 45.181 45.100 -0.288 0.000 0.978 38 G HN 0.326 8.433 8.290 -0.133 0.103 0.685 39 N N 1.387 119.726 118.700 -0.602 0.000 2.396 39 N HA -0.272 4.303 4.740 -0.275 0.000 0.180 39 N C 0.077 175.381 175.510 -0.343 0.000 1.028 39 N CA 1.873 54.641 53.050 -0.470 0.000 0.893 39 N CB 0.375 38.530 38.487 -0.553 0.000 0.967 39 N HN 0.165 7.969 8.380 -0.960 0.000 0.440 40 A N -3.604 118.987 122.820 -0.382 0.000 2.251 40 A HA 0.064 4.367 4.320 -0.030 0.000 0.209 40 A C -0.425 177.081 177.584 -0.129 0.000 1.187 40 A CA -0.741 51.217 52.037 -0.131 0.000 0.823 40 A CB 0.243 19.242 19.000 -0.001 0.000 0.846 40 A HN -0.863 6.907 8.150 -0.585 0.028 0.486 41 V N 0.401 120.197 119.914 -0.195 0.000 2.521 41 V HA -0.230 3.768 4.120 -0.203 0.000 0.286 41 V C -0.382 175.647 176.094 -0.108 0.000 1.034 41 V CA 0.334 62.521 62.300 -0.188 0.000 1.045 41 V CB 0.585 32.263 31.823 -0.241 0.000 0.974 41 V HN -0.567 7.252 8.190 -0.253 0.219 0.480 42 Q N 8.643 128.409 119.800 -0.057 0.000 2.780 42 Q HA -0.131 4.198 4.340 -0.017 0.000 0.234 42 Q C -0.757 175.241 176.000 -0.004 0.000 1.355 42 Q CA 0.203 56.000 55.803 -0.010 0.000 0.919 42 Q CB -1.032 27.724 28.738 0.030 0.000 1.645 42 Q HN 0.522 8.759 8.270 -0.055 0.000 0.568 43 K N 4.832 125.214 120.400 -0.030 0.000 2.319 43 K HA 0.148 4.462 4.320 -0.009 0.000 0.237 43 K C 0.219 176.812 176.600 -0.011 0.000 1.113 43 K CA -2.031 54.240 56.287 -0.026 0.000 1.072 43 K CB -1.350 31.113 32.500 -0.060 0.000 1.734 43 K HN -0.205 7.982 8.250 -0.046 0.036 0.429 44 E N 2.685 122.889 120.200 0.006 0.000 2.017 44 E HA -0.213 4.139 4.350 0.004 0.000 0.193 44 E C 0.697 177.302 176.600 0.009 0.000 0.997 44 E CA 2.443 58.848 56.400 0.009 0.000 0.804 44 E CB -0.011 29.698 29.700 0.015 0.000 0.757 44 E HN 0.028 8.397 8.360 0.016 0.000 0.448 45 R N -4.572 115.937 120.500 0.016 0.000 2.707 45 R HA -0.055 4.294 4.340 0.014 0.000 0.101 45 R C -1.254 175.065 176.300 0.031 0.000 0.851 45 R CA 0.609 56.721 56.100 0.019 0.000 2.367 45 R CB 0.804 31.115 30.300 0.019 0.000 1.548 45 R HN -0.067 8.215 8.270 0.020 0.000 0.505 46 Q N -2.268 117.554 119.800 0.038 0.000 2.412 46 Q HA 0.095 4.475 4.340 0.068 0.000 0.203 46 Q C -0.760 175.282 176.000 0.069 0.000 0.958 46 Q CA -0.035 55.802 55.803 0.057 0.000 0.823 46 Q CB 1.254 30.022 28.738 0.052 0.000 1.236 46 Q HN -0.057 8.232 8.270 0.032 0.000 0.580 47 S N -0.846 114.895 115.700 0.068 0.000 2.417 47 S HA 0.321 4.843 4.470 0.086 0.000 0.189 47 S C -0.768 173.877 174.600 0.074 0.000 1.005 47 S CA 0.143 58.395 58.200 0.087 0.000 1.116 47 S CB 1.267 64.539 63.200 0.119 0.000 1.343 47 S HN -0.044 8.299 8.310 0.056 0.000 0.406 48 R N 3.881 124.427 120.500 0.076 0.000 2.148 48 R HA -0.061 4.303 4.340 0.040 0.000 0.223 48 R C -0.388 175.968 176.300 0.093 0.000 1.088 48 R CA 0.822 56.962 56.100 0.066 0.000 0.985 48 R CB 0.137 30.472 30.300 0.058 0.000 0.880 48 R HN 0.341 8.654 8.270 0.071 0.000 0.451 49 F N -0.858 119.072 119.950 -0.033 0.000 2.485 49 F HA 0.008 4.504 4.527 -0.051 0.000 0.327 49 F C -1.173 174.592 175.800 -0.058 0.000 1.203 49 F CA 0.665 58.630 58.000 -0.059 0.000 1.295 49 F CB 1.282 40.227 39.000 -0.091 0.000 1.191 49 F HN -0.465 7.951 8.300 0.233 0.024 0.588 50 T N 4.930 118.755 114.554 -1.215 0.000 2.982 50 T HA 0.185 4.213 4.350 -0.536 0.000 0.321 50 T C -1.383 172.570 174.700 -1.245 0.000 1.229 50 T CA -1.523 60.068 62.100 -0.847 0.000 1.044 50 T CB 2.169 70.801 68.868 -0.394 0.000 1.184 50 T HN -0.199 6.675 8.240 -2.278 0.000 0.477 51 M N 2.314 121.523 119.600 -0.651 0.000 2.245 51 M HA 0.181 4.289 4.480 -0.622 0.000 0.344 51 M C -1.998 174.177 176.300 -0.209 0.000 1.170 51 M CA 1.353 56.400 55.300 -0.422 0.000 1.135 51 M CB 0.808 33.380 32.600 -0.045 0.000 1.574 51 M HN 0.243 8.299 8.290 -0.390 0.000 0.452 52 Y N -1.805 118.542 120.300 0.079 0.000 2.698 52 Y HA 0.419 5.029 4.550 0.101 0.000 0.332 52 Y C -2.097 173.881 175.900 0.130 0.000 1.119 52 Y CA -3.517 54.649 58.100 0.110 0.000 1.109 52 Y CB 1.872 40.384 38.460 0.086 0.000 1.308 52 Y HN -0.100 8.014 8.280 -0.278 0.000 0.499 53 S N -0.169 115.697 115.700 0.278 0.000 2.437 53 S HA 0.593 5.170 4.470 -0.131 -0.185 0.305 53 S C 0.118 174.666 174.600 -0.085 0.000 1.109 53 S CA -0.948 57.209 58.200 -0.072 0.000 1.099 53 S CB 1.210 64.197 63.200 -0.356 0.000 1.004 53 S HN 0.337 8.805 8.310 0.264 0.000 0.475 54 T N 8.739 123.171 114.554 -0.204 0.000 2.811 54 T HA 0.193 4.475 4.350 -0.113 0.000 0.309 54 T C -0.962 173.341 174.700 -0.661 0.000 1.005 54 T CA 0.382 62.321 62.100 -0.268 0.000 0.955 54 T CB -0.304 68.478 68.868 -0.142 0.000 0.970 54 T HN 0.522 8.616 8.240 -0.244 0.000 0.496 55 I N 8.201 128.512 120.570 -0.431 0.000 2.347 55 I HA 0.380 4.386 4.170 -0.613 -0.203 0.283 55 I C -0.908 175.032 176.117 -0.295 0.000 1.058 55 I CA -0.866 60.164 61.300 -0.451 0.000 1.202 55 I CB 0.364 38.205 38.000 -0.265 0.000 1.386 55 I HN -0.183 7.792 8.210 -0.219 0.104 0.475 56 Y N 6.563 126.867 120.300 0.006 0.000 2.452 56 Y HA 0.057 4.655 4.550 0.080 0.000 0.348 56 Y C -1.481 174.338 175.900 -0.135 0.000 0.985 56 Y CA -2.237 55.837 58.100 -0.045 0.000 1.214 56 Y CB -0.447 37.904 38.460 -0.182 0.000 1.136 56 Y HN 0.216 7.797 8.280 -1.165 0.000 0.523 57 E N 3.996 124.231 120.200 0.058 0.000 2.158 57 E HA 0.486 4.828 4.350 -0.013 0.000 0.271 57 E C -1.564 175.086 176.600 0.084 0.000 0.911 57 E CA -2.184 54.228 56.400 0.020 0.000 0.767 57 E CB 2.447 32.149 29.700 0.004 0.000 1.120 57 E HN -0.058 8.268 8.360 0.126 0.110 0.405 58 L N 5.582 126.841 121.223 0.061 0.000 2.426 58 L HA -0.046 4.540 4.340 0.409 0.000 0.271 58 L C -0.135 176.813 176.870 0.131 0.000 1.169 58 L CA 1.523 56.470 54.840 0.177 0.000 0.836 58 L CB 0.622 42.751 42.059 0.117 0.000 1.112 58 L HN 0.645 9.240 8.230 0.008 -0.360 0.465 59 Q N 2.624 122.510 119.800 0.144 0.000 2.576 59 Q HA 0.307 4.681 4.340 0.055 0.000 0.249 59 Q C 1.047 177.080 176.000 0.055 0.000 1.041 59 Q CA -1.605 54.242 55.803 0.074 0.000 0.928 59 Q CB 1.871 30.641 28.738 0.054 0.000 1.302 59 Q HN -0.020 8.375 8.270 0.209 0.000 0.504 60 E N -0.590 119.628 120.200 0.030 0.000 2.160 60 E HA -0.319 4.044 4.350 0.023 0.000 0.195 60 E C -0.351 176.257 176.600 0.013 0.000 0.991 60 E CA 2.759 59.171 56.400 0.020 0.000 0.810 60 E CB -0.147 29.560 29.700 0.011 0.000 0.742 60 E HN 0.277 8.651 8.360 0.024 0.000 0.466 61 D N -1.497 118.909 120.400 0.010 0.000 2.980 61 D HA 0.122 4.755 4.640 -0.010 0.000 0.333 61 D C -1.191 175.098 176.300 -0.017 0.000 1.356 61 D CA -1.454 52.542 54.000 -0.007 0.000 0.847 61 D CB -0.556 40.237 40.800 -0.012 0.000 1.122 61 D HN -0.602 7.740 8.370 0.016 0.037 0.475 62 N N -3.301 115.405 118.700 0.009 0.000 2.650 62 N HA -0.494 4.337 4.740 0.151 0.000 0.249 62 N C -1.566 173.862 175.510 -0.137 0.000 1.155 62 N CA 1.257 54.312 53.050 0.009 0.000 0.747 62 N CB -1.649 36.814 38.487 -0.041 0.000 1.132 62 N HN -0.330 7.997 8.380 0.029 0.071 0.564 63 S N -1.116 114.552 115.700 -0.053 0.000 2.481 63 S HA 0.077 4.549 4.470 -0.180 -0.110 0.276 63 S C -0.430 174.226 174.600 0.093 0.000 1.247 63 S CA 0.028 58.188 58.200 -0.067 0.000 1.053 63 S CB -0.052 63.135 63.200 -0.022 0.000 0.925 63 S HN -0.438 7.765 8.310 -0.010 0.101 0.491 64 Y N 4.504 124.845 120.300 0.069 0.000 2.316 64 Y HA 0.227 5.035 4.550 0.072 -0.214 0.331 64 Y C 0.488 176.420 175.900 0.054 0.000 1.083 64 Y CA -3.095 55.058 58.100 0.088 0.000 1.206 64 Y CB 0.435 38.988 38.460 0.156 0.000 1.195 64 Y HN 1.127 9.209 8.280 -0.126 0.122 0.497 65 N N 3.084 121.892 118.700 0.180 0.000 2.439 65 N HA 0.221 5.128 4.740 -0.002 -0.169 0.243 65 N C -0.647 174.896 175.510 0.055 0.000 1.088 65 N CA -0.502 52.577 53.050 0.048 0.000 0.940 65 N CB 0.049 38.529 38.487 -0.012 0.000 1.180 65 N HN 0.836 9.234 8.380 0.183 0.091 0.505 66 V N 7.360 127.306 119.914 0.054 0.000 2.432 66 V HA 0.383 4.825 4.120 0.107 -0.259 0.275 66 V C -0.548 175.524 176.094 -0.037 0.000 1.043 66 V CA -0.408 61.952 62.300 0.100 0.000 0.925 66 V CB 1.824 33.871 31.823 0.373 0.000 0.985 66 V HN 1.074 9.147 8.190 -0.018 0.106 0.466 67 T N 12.398 126.917 114.554 -0.057 0.000 2.891 67 T HA 0.216 4.520 4.350 -0.077 0.000 0.315 67 T C -1.036 173.665 174.700 0.001 0.000 1.054 67 T CA 0.057 62.120 62.100 -0.062 0.000 0.958 67 T CB -0.178 68.616 68.868 -0.124 0.000 1.008 67 T HN 0.808 8.877 8.240 -0.071 0.128 0.521 68 S N 8.482 124.202 115.700 0.033 0.000 2.562 68 S HA 0.824 5.562 4.470 -0.032 -0.287 0.275 68 S C -0.847 173.839 174.600 0.143 0.000 1.281 68 S CA -0.764 57.454 58.200 0.029 0.000 1.045 68 S CB 1.457 64.654 63.200 -0.005 0.000 0.962 68 S HN 0.221 8.531 8.310 0.001 0.000 0.503 69 I N 3.915 124.546 120.570 0.101 0.000 2.436 69 I HA 0.291 4.452 4.170 -0.016 0.000 0.289 69 I C -2.012 174.117 176.117 0.020 0.000 1.010 69 I CA -1.073 60.244 61.300 0.029 0.000 1.098 69 I CB 2.426 40.417 38.000 -0.015 0.000 1.266 69 I HN -0.351 7.888 8.210 0.048 0.000 0.434 70 L N 8.048 129.246 121.223 -0.042 0.000 2.371 70 L HA 0.414 4.792 4.340 0.064 0.000 0.262 70 L C -1.255 175.582 176.870 -0.055 0.000 1.006 70 L CA -1.567 53.275 54.840 0.003 0.000 0.818 70 L CB 4.294 46.362 42.059 0.016 0.000 1.354 70 L HN 0.840 9.002 8.230 -0.113 0.000 0.415 71 V N 2.447 122.341 119.914 -0.034 0.000 2.339 71 V HA 0.106 4.301 4.120 -0.067 -0.115 0.261 71 V C -0.290 175.780 176.094 -0.039 0.000 1.058 71 V CA 0.182 62.454 62.300 -0.047 0.000 0.897 71 V CB -0.729 31.070 31.823 -0.040 0.000 1.052 71 V HN 0.289 8.475 8.190 -0.007 0.000 0.480 72 R N 7.363 127.837 120.500 -0.044 0.000 2.562 72 R HA 0.328 4.642 4.340 -0.044 0.000 0.298 72 R C 0.590 176.870 176.300 -0.033 0.000 0.961 72 R CA -1.164 54.911 56.100 -0.041 0.000 0.881 72 R CB 1.909 32.184 30.300 -0.042 0.000 1.159 72 R HN -0.244 7.995 8.270 -0.052 0.000 0.450 73 G N 4.604 113.385 108.800 -0.032 0.000 2.601 73 G HA2 -0.405 3.540 3.960 -0.024 0.000 0.306 73 G HA3 -0.405 3.543 3.960 -0.020 0.000 0.306 73 G C 0.024 174.912 174.900 -0.021 0.000 1.172 73 G CA 1.706 46.792 45.100 -0.024 0.000 0.966 73 G HN 0.415 8.682 8.290 -0.038 0.000 0.542 74 Q N 3.148 122.937 119.800 -0.018 0.000 2.089 74 Q HA 0.364 4.693 4.340 -0.018 0.000 0.248 74 Q C -0.493 175.496 176.000 -0.018 0.000 0.828 74 Q CA -0.584 55.209 55.803 -0.017 0.000 1.102 74 Q CB 1.363 30.093 28.738 -0.012 0.000 1.221 74 Q HN 0.070 8.331 8.270 -0.016 0.000 0.455 75 G N -0.339 108.448 108.800 -0.022 0.000 2.947 75 G HA2 0.356 4.302 3.960 -0.024 0.000 0.293 75 G HA3 0.356 4.304 3.960 -0.020 0.000 0.293 75 G C -2.885 171.989 174.900 -0.044 0.000 1.243 75 G CA -0.134 44.951 45.100 -0.026 0.000 0.802 75 G HN -0.322 7.891 8.290 -0.024 0.062 0.560 76 c N -2.178 116.387 118.600 -0.058 0.000 2.411 76 c HA 0.617 5.229 4.570 -0.111 -0.108 0.330 76 c C -0.922 173.085 174.090 -0.139 0.000 1.224 76 c CA -3.316 52.944 56.329 -0.115 0.000 1.770 76 c CB 1.390 43.816 42.510 -0.140 0.000 2.297 76 c HN 0.266 8.470 8.230 -0.043 0.000 0.507 77 R N 1.838 122.219 120.500 -0.198 0.000 2.561 77 R HA 0.288 4.563 4.340 -0.108 0.000 0.266 77 R C -2.366 173.835 176.300 -0.164 0.000 1.091 77 R CA -0.927 55.094 56.100 -0.131 0.000 0.927 77 R CB 4.357 34.656 30.300 -0.002 0.000 1.240 77 R HN 0.840 8.981 8.270 -0.214 0.000 0.449 78 Y N 4.143 124.491 120.300 0.080 0.000 2.316 78 Y HA 0.209 4.938 4.550 0.085 -0.129 0.331 78 Y C -0.647 175.345 175.900 0.153 0.000 1.083 78 Y CA -0.075 58.073 58.100 0.081 0.000 1.206 78 Y CB 1.369 39.841 38.460 0.021 0.000 1.195 78 Y HN 0.369 8.759 8.280 0.184 0.000 0.497 79 W N 5.920 127.267 121.300 0.078 0.000 2.296 79 W HA 0.244 4.917 4.660 0.022 0.000 0.316 79 W C -2.303 174.214 176.519 -0.003 0.000 1.022 79 W CA -1.552 55.803 57.345 0.016 0.000 1.324 79 W CB 1.534 30.979 29.460 -0.026 0.000 1.227 79 W HN 1.063 9.330 8.180 0.335 0.113 0.409 80 I N 9.146 129.415 120.570 -0.501 0.000 2.385 80 I HA 0.653 4.860 4.170 -0.288 -0.210 0.294 80 I C -0.301 175.396 176.117 -0.701 0.000 0.988 80 I CA -1.165 59.867 61.300 -0.447 0.000 1.265 80 I CB 1.486 39.323 38.000 -0.272 0.000 1.388 80 I HN 0.177 8.089 8.210 -0.496 0.000 0.480 81 R N 5.359 125.563 120.500 -0.494 0.000 3.003 81 R HA 0.675 4.716 4.340 -0.498 0.000 0.251 81 R C -1.539 174.554 176.300 -0.345 0.000 1.265 81 R CA -2.198 53.618 56.100 -0.474 0.000 1.026 81 R CB 3.222 33.241 30.300 -0.469 0.000 1.307 81 R HN 1.092 9.047 8.270 -0.346 0.108 0.475 82 T N 1.387 115.736 114.554 -0.341 0.000 2.807 82 T HA 0.975 5.520 4.350 -0.118 -0.266 0.279 82 T C -0.619 173.918 174.700 -0.271 0.000 0.993 82 T CA -0.483 61.491 62.100 -0.210 0.000 0.970 82 T CB 1.532 70.328 68.868 -0.120 0.000 0.950 82 T HN 0.281 8.307 8.240 -0.358 0.000 0.441 83 F N 7.734 127.693 119.950 0.015 0.000 2.427 83 F HA 0.607 5.314 4.527 -0.004 -0.182 0.348 83 F C -1.163 174.510 175.800 -0.210 0.000 1.125 83 F CA -1.777 56.200 58.000 -0.039 0.000 0.989 83 F CB 2.865 41.853 39.000 -0.020 0.000 1.165 83 F HN 1.148 9.416 8.300 0.146 0.120 0.442 84 V N -0.430 119.532 119.914 0.080 0.000 2.555 84 V HA 0.700 4.670 4.120 -0.249 0.000 0.302 84 V C -2.103 173.993 176.094 0.003 0.000 1.038 84 V CA -4.491 57.770 62.300 -0.066 0.000 0.887 84 V CB 1.723 33.537 31.823 -0.015 0.000 0.991 84 V HN 1.012 9.215 8.190 0.212 0.115 0.434 85 P HA 0.194 4.715 4.420 -0.113 -0.169 0.262 85 P C -0.930 176.304 177.300 -0.110 0.000 1.199 85 P CA 0.268 63.309 63.100 -0.098 0.000 0.763 85 P CB -0.064 31.561 31.700 -0.126 0.000 0.790 86 S N 4.647 120.253 115.700 -0.156 0.000 2.229 86 S HA -0.079 4.357 4.470 -0.057 0.000 0.221 86 S C 1.088 175.613 174.600 -0.125 0.000 1.316 86 S CA 0.256 58.387 58.200 -0.115 0.000 1.002 86 S CB 0.927 64.046 63.200 -0.135 0.000 0.854 86 S HN 0.660 8.707 8.310 -0.249 0.113 0.451 87 S N -0.649 114.978 115.700 -0.121 0.000 2.465 87 S HA -0.208 4.217 4.470 -0.074 0.000 0.241 87 S C -0.770 173.753 174.600 -0.128 0.000 1.000 87 S CA 2.332 60.470 58.200 -0.103 0.000 0.964 87 S CB -0.101 63.042 63.200 -0.095 0.000 0.763 87 S HN 0.283 8.520 8.310 -0.120 0.000 0.512 88 R N -4.022 116.362 120.500 -0.193 0.000 2.604 88 R HA 0.423 4.669 4.340 -0.158 0.000 0.270 88 R C -3.465 172.621 176.300 -0.357 0.000 1.052 88 R CA -2.814 53.154 56.100 -0.218 0.000 0.902 88 R CB -0.467 29.711 30.300 -0.204 0.000 1.233 88 R HN -0.649 7.430 8.270 -0.229 0.053 0.455 89 P HA -0.046 4.082 4.420 -0.486 0.000 0.261 89 P C -0.534 176.074 177.300 -1.152 0.000 1.203 89 P CA 0.756 63.560 63.100 -0.494 0.000 0.767 89 P CB -0.424 31.273 31.700 -0.005 0.000 0.785 90 G N 2.414 110.094 108.800 -1.867 0.000 2.796 90 G HA2 -0.187 2.281 3.960 -2.487 0.000 0.198 90 G HA3 -0.187 2.983 3.960 -1.317 0.000 0.198 90 G C -0.938 172.976 174.900 -1.643 0.000 1.062 90 G CA -0.241 43.700 45.100 -1.932 0.000 0.752 90 G HN -0.082 7.086 8.290 -1.870 0.000 0.487 91 Q N 3.919 123.044 119.800 -1.124 0.000 2.293 91 Q HA 0.652 4.861 4.340 -0.695 -0.287 0.263 91 Q C -1.016 174.487 176.000 -0.827 0.000 1.002 91 Q CA -0.531 54.798 55.803 -0.790 0.000 0.910 91 Q CB 0.856 29.325 28.738 -0.447 0.000 1.185 91 Q HN -0.400 7.271 8.270 -0.910 0.052 0.401 92 F N 5.255 124.995 119.950 -0.350 0.000 2.444 92 F HA 0.618 5.124 4.527 -0.261 -0.135 0.342 92 F C 0.027 175.821 175.800 -0.010 0.000 1.121 92 F CA -1.799 56.037 58.000 -0.273 0.000 0.997 92 F CB 2.084 40.792 39.000 -0.487 0.000 1.130 92 F HN 1.008 8.982 8.300 -0.457 0.052 0.454 93 T N 1.599 116.342 114.554 0.315 0.000 2.883 93 T HA 0.405 5.190 4.350 0.581 -0.087 0.284 93 T C -1.774 173.153 174.700 0.379 0.000 1.041 93 T CA -2.792 59.534 62.100 0.376 0.000 1.007 93 T CB 2.709 71.696 68.868 0.200 0.000 1.220 93 T HN 0.878 9.274 8.240 0.261 0.000 0.552 94 L N 1.584 122.940 121.223 0.222 0.000 2.289 94 L HA 0.459 4.989 4.340 0.016 -0.181 0.285 94 L C 2.180 179.074 176.870 0.040 0.000 1.049 94 L CA -0.829 54.038 54.840 0.046 0.000 0.804 94 L CB 0.680 42.678 42.059 -0.101 0.000 1.195 94 L HN 0.430 8.787 8.230 0.211 0.000 0.428 95 G N 6.386 115.176 108.800 -0.018 0.000 2.501 95 G HA2 -0.294 3.678 3.960 0.020 0.000 0.220 95 G HA3 -0.294 3.642 3.960 -0.040 0.000 0.220 95 G C -0.095 174.806 174.900 0.002 0.000 1.114 95 G CA 2.066 47.161 45.100 -0.009 0.000 0.757 95 G HN 1.004 9.085 8.290 -0.078 0.162 0.559 96 N N -3.453 115.241 118.700 -0.009 0.000 2.240 96 N HA 0.099 4.854 4.740 0.026 0.000 0.240 96 N C -0.667 174.877 175.510 0.056 0.000 1.277 96 N CA -1.042 52.015 53.050 0.012 0.000 0.873 96 N CB 0.041 38.513 38.487 -0.026 0.000 1.222 96 N HN -0.283 8.004 8.380 -0.041 0.068 0.507 97 I N 2.136 122.762 120.570 0.093 0.000 2.761 97 I HA -0.247 4.004 4.170 0.136 0.000 0.261 97 I C -0.181 176.110 176.117 0.289 0.000 1.198 97 I CA 1.209 62.612 61.300 0.172 0.000 1.482 97 I CB 0.620 38.724 38.000 0.172 0.000 1.100 97 I HN -0.210 7.920 8.210 0.084 0.131 0.445 98 H N -1.288 117.834 119.070 0.085 0.000 2.562 98 H HA -0.121 4.459 4.556 0.039 0.000 0.272 98 H C 0.122 175.293 175.328 -0.261 0.000 1.019 98 H CA 1.286 57.312 56.048 -0.037 0.000 1.160 98 H CB -0.110 29.644 29.762 -0.013 0.000 1.334 98 H HN 0.379 8.732 8.280 0.234 0.068 0.611 99 S N -0.786 114.890 115.700 -0.040 0.000 2.602 99 S HA 0.085 4.443 4.470 -0.187 0.000 0.240 99 S C -0.286 174.255 174.600 -0.099 0.000 0.992 99 S CA -0.361 57.769 58.200 -0.116 0.000 0.971 99 S CB 0.895 64.071 63.200 -0.039 0.000 0.855 99 S HN -0.394 7.857 8.310 0.060 0.095 0.481 100 Y N 2.229 122.576 120.300 0.079 0.000 2.810 100 Y HA -0.102 4.481 4.550 0.055 0.000 0.332 100 Y C -0.350 175.586 175.900 0.060 0.000 1.243 100 Y CA -1.996 56.142 58.100 0.064 0.000 1.537 100 Y CB -0.871 37.631 38.460 0.070 0.000 1.265 100 Y HN -0.349 7.678 8.280 -0.133 0.174 0.572 101 P HA -0.137 4.367 4.420 0.140 0.000 0.215 101 P C -0.516 176.916 177.300 0.220 0.000 1.157 101 P CA 1.544 64.754 63.100 0.182 0.000 0.869 101 P CB 0.938 32.706 31.700 0.112 0.000 0.781 102 Q N -1.235 118.681 119.800 0.194 0.000 2.353 102 Q HA -0.007 4.411 4.340 0.130 0.000 0.240 102 Q C -0.583 175.472 176.000 0.092 0.000 0.868 102 Q CA -0.059 55.826 55.803 0.137 0.000 0.944 102 Q CB 0.300 29.103 28.738 0.110 0.000 1.104 102 Q HN 0.063 8.449 8.270 0.193 0.000 0.531 103 I N -0.062 120.545 120.570 0.062 0.000 2.671 103 I HA -0.164 4.230 4.170 0.001 -0.224 0.285 103 I C 0.550 176.406 176.117 -0.435 0.000 1.148 103 I CA 0.910 62.136 61.300 -0.125 0.000 1.386 103 I CB -0.990 36.939 38.000 -0.118 0.000 1.406 103 I HN -0.234 8.076 8.210 0.167 0.000 0.540 104 Q N 7.273 126.951 119.800 -0.203 0.000 2.050 104 Q HA -0.282 3.960 4.340 -0.163 0.000 0.202 104 Q C 0.154 175.976 176.000 -0.296 0.000 0.980 104 Q CA 2.279 57.968 55.803 -0.192 0.000 0.840 104 Q CB 0.856 29.555 28.738 -0.064 0.000 0.898 104 Q HN 0.626 8.721 8.270 -0.064 0.136 0.424 105 S N -5.225 110.346 115.700 -0.216 0.000 2.543 105 S HA 0.187 4.502 4.470 -0.260 0.000 0.274 105 S C -2.552 172.046 174.600 -0.004 0.000 1.149 105 S CA 0.042 58.147 58.200 -0.157 0.000 0.866 105 S CB 3.133 66.280 63.200 -0.088 0.000 1.111 105 S HN -0.888 7.348 8.310 -0.123 0.000 0.457 106 Y N 4.369 124.634 120.300 -0.058 0.000 2.349 106 Y HA 0.653 5.476 4.550 0.076 -0.228 0.324 106 Y C -2.259 173.670 175.900 0.048 0.000 1.005 106 Y CA -1.027 57.099 58.100 0.045 0.000 1.240 106 Y CB 3.138 41.656 38.460 0.096 0.000 1.117 106 Y HN 0.641 8.970 8.280 0.082 0.000 0.463 107 D N 7.574 127.867 120.400 -0.178 0.000 2.936 107 D HA 0.571 5.420 4.640 -0.009 -0.214 0.238 107 D C -1.872 174.296 176.300 -0.219 0.000 1.248 107 D CA -0.389 53.540 54.000 -0.118 0.000 0.903 107 D CB 4.823 45.560 40.800 -0.106 0.000 1.544 107 D HN 0.047 8.205 8.370 -0.353 0.000 0.543 108 V N 1.560 121.322 119.914 -0.254 0.000 2.667 108 V HA 0.852 4.964 4.120 -0.250 -0.142 0.308 108 V C -1.936 173.953 176.094 -0.341 0.000 1.048 108 V CA -2.938 59.128 62.300 -0.391 0.000 0.928 108 V CB 3.438 34.690 31.823 -0.951 0.000 1.004 108 V HN 0.762 8.801 8.190 -0.164 0.053 0.444 109 Q N 5.766 125.449 119.800 -0.195 0.000 2.325 109 Q HA 0.568 4.855 4.340 -0.443 -0.213 0.270 109 Q C -1.710 174.218 176.000 -0.120 0.000 1.020 109 Q CA -2.348 53.312 55.803 -0.240 0.000 0.785 109 Q CB 3.166 31.791 28.738 -0.188 0.000 1.259 109 Q HN 1.033 9.181 8.270 -0.010 0.116 0.452 110 V N 6.464 126.274 119.914 -0.174 0.000 2.368 110 V HA 0.173 4.434 4.120 0.040 -0.117 0.266 110 V C -1.621 174.438 176.094 -0.059 0.000 1.045 110 V CA -1.233 61.066 62.300 -0.000 0.000 0.899 110 V CB 1.741 33.725 31.823 0.269 0.000 1.006 110 V HN -0.237 7.727 8.190 -0.377 0.000 0.470 111 A N 8.657 131.402 122.820 -0.126 0.000 1.930 111 A HA -0.077 4.379 4.320 -0.088 -0.188 0.217 111 A C -0.718 176.794 177.584 -0.120 0.000 1.175 111 A CA 1.933 53.867 52.037 -0.172 0.000 0.627 111 A CB 0.643 19.355 19.000 -0.481 0.000 0.815 111 A HN 0.783 8.837 8.150 -0.159 0.000 0.443 112 D N -6.182 114.132 120.400 -0.142 0.000 2.931 112 D HA 0.166 4.810 4.640 0.006 0.000 0.215 112 D C -2.056 174.194 176.300 -0.082 0.000 1.297 112 D CA 0.343 54.289 54.000 -0.090 0.000 0.892 112 D CB 2.822 43.533 40.800 -0.149 0.000 1.642 112 D HN -0.770 7.483 8.370 -0.194 0.000 0.560 113 T N 3.918 118.510 114.554 0.063 0.000 2.916 113 T HA 0.263 4.731 4.350 -0.016 -0.127 0.298 113 T C -2.076 172.701 174.700 0.128 0.000 1.031 113 T CA -1.482 60.663 62.100 0.075 0.000 0.993 113 T CB 1.632 70.608 68.868 0.181 0.000 1.045 113 T HN 0.027 8.340 8.240 0.121 0.000 0.454 114 D N 5.832 126.332 120.400 0.167 0.000 2.570 114 D HA 0.219 4.973 4.640 0.191 0.000 0.244 114 D C -0.776 175.682 176.300 0.264 0.000 1.178 114 D CA -2.050 52.042 54.000 0.153 0.000 0.881 114 D CB 3.921 44.716 40.800 -0.008 0.000 1.453 114 D HN -0.343 8.160 8.370 0.221 0.000 0.447 115 Y N -3.540 116.905 120.300 0.242 0.000 2.314 115 Y HA -0.044 4.693 4.550 0.311 0.000 0.293 115 Y C -0.419 175.552 175.900 0.118 0.000 1.129 115 Y CA 1.746 59.972 58.100 0.211 0.000 1.201 115 Y CB 0.358 38.899 38.460 0.136 0.000 0.999 115 Y HN -0.002 8.323 8.280 0.076 0.000 0.541 116 D N -1.299 118.851 120.400 -0.416 0.000 2.626 116 D HA 0.089 4.695 4.640 -0.057 0.000 0.274 116 D C -0.180 176.059 176.300 -0.102 0.000 1.045 116 D CA 0.628 54.501 54.000 -0.211 0.000 0.925 116 D CB 1.876 42.522 40.800 -0.258 0.000 1.260 116 D HN -0.033 8.158 8.370 -0.923 -0.375 0.490 117 Q N -0.251 119.477 119.800 -0.120 0.000 2.526 117 Q HA -0.074 4.344 4.340 0.129 0.000 0.207 117 Q C -0.936 175.250 176.000 0.309 0.000 1.078 117 Q CA 0.405 56.279 55.803 0.118 0.000 1.041 117 Q CB 0.815 29.628 28.738 0.125 0.000 1.228 117 Q HN -0.046 8.466 8.270 -0.345 -0.449 0.603 118 F N -3.191 116.835 119.950 0.126 0.000 2.377 118 F HA 0.150 4.856 4.527 0.297 0.000 0.335 118 F C -1.957 174.006 175.800 0.271 0.000 1.099 118 F CA -3.130 55.009 58.000 0.232 0.000 1.072 118 F CB 1.600 40.710 39.000 0.184 0.000 1.417 118 F HN -0.178 8.745 8.300 1.038 0.000 0.495 119 A N -2.918 119.861 122.820 -0.069 0.000 2.422 119 A HA 0.927 5.265 4.320 -0.436 -0.279 0.302 119 A C -2.133 175.299 177.584 -0.253 0.000 1.041 119 A CA -1.295 50.606 52.037 -0.227 0.000 0.708 119 A CB 3.401 22.394 19.000 -0.011 0.000 1.257 119 A HN 0.742 9.082 8.150 0.317 0.000 0.414 120 M N 3.570 122.959 119.600 -0.352 0.000 2.243 120 M HA 0.642 5.204 4.480 -0.163 -0.180 0.324 120 M C -1.814 174.388 176.300 -0.163 0.000 1.031 120 M CA -0.861 54.282 55.300 -0.262 0.000 0.949 120 M CB 3.389 35.749 32.600 -0.399 0.000 1.615 120 M HN 0.400 8.454 8.290 -0.393 0.000 0.430 121 V N 2.458 122.365 119.914 -0.012 0.000 2.735 121 V HA 0.652 4.983 4.120 0.104 -0.148 0.310 121 V C -1.739 174.563 176.094 0.347 0.000 1.061 121 V CA -2.656 59.752 62.300 0.179 0.000 0.913 121 V CB 2.785 34.858 31.823 0.417 0.000 1.005 121 V HN 0.290 8.450 8.190 -0.051 0.000 0.428 122 F N 7.334 127.398 119.950 0.190 0.000 2.404 122 F HA 0.632 5.532 4.527 0.351 -0.162 0.354 122 F C -2.393 173.500 175.800 0.156 0.000 1.122 122 F CA -3.104 55.052 58.000 0.260 0.000 1.080 122 F CB 2.789 41.937 39.000 0.246 0.000 1.131 122 F HN 1.103 9.486 8.300 0.331 0.115 0.471 123 F N 8.139 127.949 119.950 -0.233 0.000 2.411 123 F HA 0.272 4.780 4.527 -0.031 0.000 0.352 123 F C -1.982 173.600 175.800 -0.363 0.000 1.123 123 F CA -1.285 56.612 58.000 -0.173 0.000 1.044 123 F CB 2.444 41.409 39.000 -0.058 0.000 1.135 123 F HN 1.265 9.454 8.300 0.010 0.116 0.461 124 Q N 6.028 125.758 119.800 -0.117 0.000 2.368 124 Q HA 0.342 4.681 4.340 -0.001 0.000 0.263 124 Q C -1.941 173.904 176.000 -0.259 0.000 1.009 124 Q CA -1.009 54.768 55.803 -0.043 0.000 0.818 124 Q CB 2.452 31.325 28.738 0.224 0.000 1.239 124 Q HN 0.405 8.565 8.270 -0.183 0.000 0.464 125 K N 9.844 130.229 120.400 -0.025 0.000 2.394 125 K HA 0.667 5.143 4.320 0.054 -0.124 0.260 125 K C -1.566 175.200 176.600 0.277 0.000 0.967 125 K CA -1.502 54.872 56.287 0.145 0.000 0.855 125 K CB 2.995 35.727 32.500 0.388 0.000 1.101 125 K HN 1.122 9.338 8.250 0.111 0.101 0.433 126 T N 9.255 123.921 114.554 0.186 0.000 2.824 126 T HA 0.646 5.236 4.350 0.168 -0.139 0.280 126 T C -0.560 174.246 174.700 0.176 0.000 0.995 126 T CA -1.100 61.090 62.100 0.149 0.000 1.009 126 T CB 1.361 70.247 68.868 0.029 0.000 0.955 126 T HN 0.768 9.088 8.240 0.133 0.000 0.452 127 S N 4.313 120.152 115.700 0.232 0.000 2.649 127 S HA 0.317 5.083 4.470 0.119 -0.225 0.274 127 S C -0.716 173.983 174.600 0.166 0.000 1.176 127 S CA -0.440 57.887 58.200 0.212 0.000 0.988 127 S CB 2.413 65.791 63.200 0.297 0.000 1.071 127 S HN 0.961 9.288 8.310 0.213 0.111 0.478 128 E N 8.587 128.846 120.200 0.098 0.000 2.320 128 E HA -0.484 3.902 4.350 0.060 0.000 0.234 128 E C -1.054 175.571 176.600 0.042 0.000 1.183 128 E CA 1.373 57.817 56.400 0.073 0.000 0.713 128 E CB -0.937 28.818 29.700 0.090 0.000 1.226 128 E HN 0.476 8.885 8.360 0.081 0.000 0.382 129 N N -10.532 108.179 118.700 0.019 0.000 2.955 129 N HA -0.530 4.275 4.740 -0.020 -0.076 0.230 129 N C -1.548 173.932 175.510 -0.050 0.000 0.891 129 N CA 2.313 55.355 53.050 -0.014 0.000 1.002 129 N CB -0.410 38.071 38.487 -0.010 0.000 1.063 129 N HN 0.390 8.991 8.380 0.025 -0.206 0.601 130 K N 0.464 120.828 120.400 -0.060 0.000 2.248 130 K HA 0.186 4.388 4.320 -0.196 0.000 0.281 130 K C -0.960 175.426 176.600 -0.356 0.000 1.054 130 K CA -1.651 54.504 56.287 -0.221 0.000 0.903 130 K CB -0.317 32.038 32.500 -0.241 0.000 1.077 130 K HN -0.342 7.680 8.250 0.005 0.231 0.474 131 Q N 3.506 123.116 119.800 -0.316 0.000 2.274 131 Q HA 0.288 4.698 4.340 -0.063 -0.108 0.256 131 Q C -0.692 175.229 176.000 -0.131 0.000 0.927 131 Q CA -0.283 55.423 55.803 -0.162 0.000 0.939 131 Q CB 1.506 30.165 28.738 -0.132 0.000 1.201 131 Q HN 0.487 8.609 8.270 -0.246 0.000 0.426 132 Y N 4.375 124.847 120.300 0.286 0.000 2.328 132 Y HA 0.202 4.866 4.550 0.191 0.000 0.336 132 Y C -1.846 174.187 175.900 0.222 0.000 0.960 132 Y CA -1.690 56.541 58.100 0.219 0.000 1.134 132 Y CB 1.672 40.185 38.460 0.089 0.000 1.166 132 Y HN 1.235 9.589 8.280 0.313 0.114 0.464 133 F N -1.940 118.011 119.950 0.001 0.000 2.581 133 F HA 1.178 5.808 4.527 -0.226 -0.239 0.311 133 F C -2.210 173.458 175.800 -0.220 0.000 1.113 133 F CA -2.961 54.923 58.000 -0.193 0.000 0.935 133 F CB 3.988 42.845 39.000 -0.238 0.000 1.232 133 F HN 0.209 8.264 8.300 -0.408 0.000 0.445 134 K N -2.500 117.727 120.400 -0.288 0.000 2.555 134 K HA 0.342 4.524 4.320 -0.273 -0.026 0.279 134 K C -2.820 173.684 176.600 -0.160 0.000 0.986 134 K CA -0.786 55.349 56.287 -0.254 0.000 0.880 134 K CB 4.180 36.528 32.500 -0.253 0.000 1.474 134 K HN 0.641 8.693 8.250 -0.329 0.000 0.433 135 V N 2.839 122.729 119.914 -0.039 0.000 2.487 135 V HA 0.891 5.359 4.120 0.203 -0.226 0.298 135 V C -0.669 175.414 176.094 -0.019 0.000 1.028 135 V CA -1.931 60.453 62.300 0.140 0.000 0.860 135 V CB 3.445 35.496 31.823 0.381 0.000 0.991 135 V HN 0.868 8.877 8.190 -0.064 0.143 0.427 136 T N 4.369 118.851 114.554 -0.120 0.000 2.944 136 T HA 0.417 4.421 4.350 -0.578 0.000 0.284 136 T C -1.657 172.728 174.700 -0.524 0.000 1.010 136 T CA -2.091 59.714 62.100 -0.491 0.000 1.025 136 T CB 2.484 70.871 68.868 -0.801 0.000 1.079 136 T HN 1.042 9.186 8.240 0.044 0.122 0.516 137 L N 2.805 123.604 121.223 -0.707 0.000 2.345 137 L HA 0.545 4.929 4.340 -0.136 -0.125 0.274 137 L C -2.556 174.258 176.870 -0.094 0.000 0.999 137 L CA -1.114 53.518 54.840 -0.346 0.000 0.849 137 L CB 1.489 43.283 42.059 -0.440 0.000 1.220 137 L HN 0.618 8.291 8.230 -0.790 0.083 0.422 138 Y N 4.959 125.406 120.300 0.245 0.000 2.420 138 Y HA 1.003 5.978 4.550 0.349 -0.216 0.334 138 Y C -0.368 175.832 175.900 0.500 0.000 1.094 138 Y CA -3.004 55.329 58.100 0.390 0.000 1.126 138 Y CB 3.404 42.136 38.460 0.453 0.000 1.217 138 Y HN 1.260 9.520 8.280 0.139 0.104 0.462 139 G N -1.000 108.176 108.800 0.628 0.000 2.519 139 G HA2 0.467 4.700 3.960 0.456 0.000 0.307 139 G HA3 0.467 4.615 3.960 0.313 0.000 0.307 139 G C -1.165 173.757 174.900 0.037 0.000 1.266 139 G CA -2.016 43.314 45.100 0.384 0.000 0.970 139 G HN 1.009 9.563 8.290 0.632 0.115 0.481 140 R N 0.168 120.576 120.500 -0.152 0.000 2.316 140 R HA -0.129 3.503 4.340 -1.181 0.000 0.202 140 R C -0.892 175.286 176.300 -0.203 0.000 1.029 140 R CA 1.561 57.360 56.100 -0.502 0.000 1.018 140 R CB 0.125 30.226 30.300 -0.331 0.000 0.888 140 R HN 0.445 8.734 8.270 0.032 0.000 0.471 141 T N -6.504 108.063 114.554 0.023 0.000 2.663 141 T HA 0.015 4.543 4.350 0.297 0.000 0.305 141 T C -0.695 173.983 174.700 -0.037 0.000 1.660 141 T CA -0.834 61.318 62.100 0.087 0.000 0.976 141 T CB 1.469 70.329 68.868 -0.012 0.000 1.705 141 T HN -0.772 7.424 8.240 0.049 0.073 0.494 142 K N 2.806 123.034 120.400 -0.286 0.000 3.077 142 K HA -0.008 4.088 4.320 -0.372 0.000 0.269 142 K C -0.243 176.264 176.600 -0.155 0.000 0.973 142 K CA 0.393 56.471 56.287 -0.349 0.000 1.162 142 K CB -1.986 30.236 32.500 -0.463 0.000 1.079 142 K HN 0.460 8.529 8.250 -0.300 0.000 0.456 143 G N -1.021 107.731 108.800 -0.079 0.000 4.677 143 G HA2 0.015 3.941 3.960 -0.056 0.000 0.225 143 G HA3 0.015 3.942 3.960 -0.054 0.000 0.225 143 G C -1.623 173.263 174.900 -0.024 0.000 0.876 143 G CA 0.403 45.472 45.100 -0.052 0.000 0.652 143 G HN -0.211 7.935 8.290 -0.052 0.113 0.481 144 L N 0.598 121.819 121.223 -0.004 0.000 2.296 144 L HA 0.355 4.688 4.340 -0.010 0.000 0.286 144 L C -0.397 176.457 176.870 -0.028 0.000 1.023 144 L CA -1.047 53.794 54.840 0.002 0.000 0.812 144 L CB 1.170 43.269 42.059 0.066 0.000 1.223 144 L HN -0.198 8.032 8.230 0.001 0.000 0.421 145 S N 3.199 118.862 115.700 -0.062 0.000 2.563 145 S HA -0.129 4.311 4.470 -0.051 0.000 0.284 145 S C 0.380 174.936 174.600 -0.074 0.000 1.331 145 S CA 0.691 58.849 58.200 -0.069 0.000 1.047 145 S CB 1.080 64.233 63.200 -0.079 0.000 0.859 145 S HN 0.233 8.500 8.310 -0.071 0.000 0.514 146 D N 2.262 122.628 120.400 -0.056 0.000 2.265 146 D HA -0.316 4.308 4.640 -0.028 0.000 0.208 146 D C 1.624 177.893 176.300 -0.052 0.000 0.977 146 D CA 3.342 57.313 54.000 -0.049 0.000 0.871 146 D CB 0.311 41.074 40.800 -0.062 0.000 0.925 146 D HN 0.552 8.890 8.370 -0.054 0.000 0.485 147 E N -0.455 119.699 120.200 -0.077 0.000 2.049 147 E HA -0.279 4.040 4.350 -0.052 0.000 0.198 147 E C 1.825 178.352 176.600 -0.121 0.000 1.007 147 E CA 2.829 59.179 56.400 -0.084 0.000 0.809 147 E CB -0.633 29.011 29.700 -0.093 0.000 0.749 147 E HN 0.328 8.597 8.360 -0.079 0.044 0.450 148 L N -5.195 115.866 121.223 -0.270 0.000 2.217 148 L HA -0.084 3.969 4.340 -0.479 0.000 0.211 148 L C 1.905 178.728 176.870 -0.078 0.000 1.107 148 L CA 2.849 57.353 54.840 -0.558 0.000 0.783 148 L CB -0.763 40.372 42.059 -1.539 0.000 0.919 148 L HN -0.616 7.456 8.230 -0.263 0.000 0.442 149 K N -0.020 120.424 120.400 0.073 0.000 2.025 149 K HA -0.378 4.319 4.320 0.629 0.000 0.207 149 K C 2.404 179.185 176.600 0.300 0.000 1.049 149 K CA 3.728 60.241 56.287 0.377 0.000 0.933 149 K CB -0.535 32.145 32.500 0.299 0.000 0.714 149 K HN -0.857 7.272 8.250 -0.021 0.108 0.438 150 E N -1.451 118.812 120.200 0.105 0.000 2.160 150 E HA -0.334 4.011 4.350 -0.009 0.000 0.195 150 E C 2.406 179.026 176.600 0.034 0.000 0.991 150 E CA 2.589 59.004 56.400 0.025 0.000 0.810 150 E CB -0.305 29.399 29.700 0.006 0.000 0.742 150 E HN -0.234 8.163 8.360 0.062 0.000 0.466 151 R N -2.635 117.937 120.500 0.119 0.000 2.096 151 R HA -0.300 4.132 4.340 0.154 0.000 0.235 151 R C 2.304 178.778 176.300 0.289 0.000 1.127 151 R CA 3.117 59.337 56.100 0.200 0.000 0.968 151 R CB -0.287 30.169 30.300 0.259 0.000 0.861 151 R HN -0.525 7.710 8.270 0.104 0.099 0.440 152 F N 0.205 120.322 119.950 0.278 0.000 2.113 152 F HA -0.120 4.585 4.527 0.296 0.000 0.297 152 F C 1.382 177.331 175.800 0.248 0.000 1.103 152 F CA 1.859 60.024 58.000 0.275 0.000 1.248 152 F CB -0.605 38.539 39.000 0.240 0.000 0.999 152 F HN -0.522 7.937 8.300 0.462 0.117 0.475 153 V N -1.820 117.561 119.914 -0.888 0.000 2.407 153 V HA -0.528 3.129 4.120 -0.771 0.000 0.248 153 V C 1.420 177.417 176.094 -0.162 0.000 1.055 153 V CA 4.423 66.305 62.300 -0.697 0.000 1.049 153 V CB -0.468 31.008 31.823 -0.577 0.000 0.662 153 V HN -0.530 7.092 8.190 -0.948 0.000 0.455 154 S N 1.268 116.946 115.700 -0.036 0.000 2.368 154 S HA -0.334 4.143 4.470 0.012 0.000 0.224 154 S C 1.830 176.504 174.600 0.124 0.000 1.029 154 S CA 4.471 62.702 58.200 0.052 0.000 0.988 154 S CB -0.134 63.117 63.200 0.085 0.000 0.838 154 S HN -0.449 7.746 8.310 -0.050 0.084 0.462 155 F N 3.153 123.152 119.950 0.080 0.000 2.234 155 F HA -0.145 4.446 4.527 0.106 0.000 0.299 155 F C 0.896 176.776 175.800 0.132 0.000 1.087 155 F CA 2.458 60.533 58.000 0.126 0.000 1.340 155 F CB 0.252 39.363 39.000 0.185 0.000 1.031 155 F HN -0.097 8.335 8.300 0.358 0.083 0.500 156 A N -1.165 121.791 122.820 0.228 0.000 1.940 156 A HA -0.379 4.064 4.320 0.205 0.000 0.219 156 A C 1.881 179.477 177.584 0.021 0.000 1.176 156 A CA 3.360 55.480 52.037 0.139 0.000 0.631 156 A CB -0.793 18.270 19.000 0.105 0.000 0.814 156 A HN 0.590 8.687 8.150 0.265 0.212 0.446 157 K N -4.630 115.763 120.400 -0.011 0.000 2.296 157 K HA 0.048 4.587 4.320 -0.012 -0.227 0.200 157 K C 1.704 178.267 176.600 -0.062 0.000 1.048 157 K CA 0.224 56.496 56.287 -0.026 0.000 0.966 157 K CB -0.798 31.690 32.500 -0.020 0.000 0.754 157 K HN -0.406 7.734 8.250 0.003 0.111 0.466 158 S N -0.237 115.379 115.700 -0.140 0.000 2.423 158 S HA -0.192 4.200 4.470 -0.131 0.000 0.231 158 S C 1.051 175.533 174.600 -0.198 0.000 1.014 158 S CA 2.909 60.980 58.200 -0.214 0.000 0.965 158 S CB -0.599 62.358 63.200 -0.405 0.000 0.785 158 S HN -0.819 7.227 8.310 -0.151 0.174 0.495 159 L N -3.759 117.371 121.223 -0.155 0.000 2.492 159 L HA 0.079 4.387 4.340 -0.054 0.000 0.223 159 L C 0.739 177.630 176.870 0.036 0.000 1.132 159 L CA 0.113 54.946 54.840 -0.012 0.000 0.850 159 L CB -0.158 42.011 42.059 0.184 0.000 0.966 159 L HN -0.774 7.335 8.230 -0.170 0.019 0.454 160 G N -3.269 105.542 108.800 0.018 0.000 2.141 160 G HA2 -0.275 3.735 3.960 0.006 0.000 0.164 160 G HA3 -0.275 3.705 3.960 0.034 0.000 0.164 160 G C -1.310 173.628 174.900 0.064 0.000 1.009 160 G CA -0.409 44.710 45.100 0.031 0.000 0.677 160 G HN -0.842 7.258 8.290 -0.012 0.183 0.508 161 L N -0.817 120.443 121.223 0.062 0.000 2.365 161 L HA 0.274 4.652 4.340 0.065 0.000 0.267 161 L C -1.785 175.090 176.870 0.007 0.000 1.033 161 L CA -1.493 53.376 54.840 0.048 0.000 0.802 161 L CB 2.539 44.623 42.059 0.041 0.000 1.267 161 L HN -0.695 7.563 8.230 0.047 0.000 0.457 162 K N -2.059 118.335 120.400 -0.011 0.000 2.340 162 K HA 0.275 4.584 4.320 -0.020 0.000 0.244 162 K C -0.157 176.416 176.600 -0.045 0.000 0.973 162 K CA -1.408 54.865 56.287 -0.023 0.000 0.828 162 K CB 2.508 34.999 32.500 -0.014 0.000 1.226 162 K HN 0.092 8.332 8.250 -0.017 0.000 0.437 163 D N 1.856 122.227 120.400 -0.048 0.000 2.271 163 D HA -0.313 4.260 4.640 -0.112 0.000 0.207 163 D C 1.179 177.437 176.300 -0.070 0.000 0.983 163 D CA 3.686 57.643 54.000 -0.071 0.000 0.878 163 D CB -0.351 40.427 40.800 -0.037 0.000 0.920 163 D HN 0.623 8.972 8.370 -0.035 0.000 0.479 164 N N -4.714 113.958 118.700 -0.046 0.000 2.521 164 N HA -0.160 4.559 4.740 -0.034 0.000 0.188 164 N C -0.539 174.938 175.510 -0.055 0.000 1.146 164 N CA 1.118 54.145 53.050 -0.039 0.000 0.893 164 N CB -0.513 37.961 38.487 -0.022 0.000 0.975 164 N HN 0.034 8.342 8.380 -0.036 0.050 0.451 165 N N -2.668 115.987 118.700 -0.075 0.000 2.299 165 N HA 0.202 4.886 4.740 -0.092 0.000 0.246 165 N C -2.160 173.278 175.510 -0.119 0.000 1.254 165 N CA -0.248 52.742 53.050 -0.099 0.000 0.879 165 N CB 1.943 40.360 38.487 -0.116 0.000 1.214 165 N HN -0.088 8.046 8.380 -0.074 0.202 0.510 166 I N -0.199 120.291 120.570 -0.132 0.000 2.439 166 I HA 0.432 4.658 4.170 -0.115 -0.125 0.285 166 I C -1.836 174.107 176.117 -0.289 0.000 1.021 166 I CA -0.540 60.659 61.300 -0.168 0.000 1.091 166 I CB 2.401 40.288 38.000 -0.188 0.000 1.242 166 I HN 0.035 7.996 8.210 -0.125 0.173 0.439 167 V N 5.138 124.911 119.914 -0.235 0.000 3.093 167 V HA 0.487 4.436 4.120 -0.285 0.000 0.320 167 V C -2.564 173.387 176.094 -0.238 0.000 1.093 167 V CA -2.946 59.227 62.300 -0.213 0.000 1.016 167 V CB 3.525 35.355 31.823 0.011 0.000 1.096 167 V HN 0.645 8.732 8.190 -0.173 0.000 0.452 168 F N -0.434 119.639 119.950 0.206 0.000 2.480 168 F HA 0.335 5.037 4.527 0.292 0.000 0.329 168 F C -0.548 175.356 175.800 0.173 0.000 1.091 168 F CA -1.976 56.154 58.000 0.217 0.000 0.972 168 F CB 2.655 41.755 39.000 0.167 0.000 1.150 168 F HN -0.564 7.842 8.300 0.175 0.000 0.467 169 S N 2.307 118.222 115.700 0.358 0.000 2.714 169 S HA -0.218 4.355 4.470 0.171 0.000 0.318 169 S C 0.036 174.694 174.600 0.096 0.000 1.219 169 S CA 0.607 58.922 58.200 0.191 0.000 1.175 169 S CB -0.180 63.119 63.200 0.165 0.000 0.961 169 S HN 0.081 8.644 8.310 0.421 0.000 0.518 170 V N 5.837 125.756 119.914 0.008 0.000 2.508 170 V HA 0.009 4.141 4.120 0.020 0.000 0.281 170 V C -0.950 175.108 176.094 -0.061 0.000 1.041 170 V CA -2.447 59.839 62.300 -0.023 0.000 1.016 170 V CB 0.354 32.145 31.823 -0.055 0.000 0.984 170 V HN -0.235 7.930 8.190 -0.042 0.000 0.478 171 P HA -0.084 4.301 4.420 -0.060 0.000 0.257 171 P C -1.280 175.987 177.300 -0.054 0.000 1.227 171 P CA 0.115 63.184 63.100 -0.051 0.000 0.981 171 P CB -0.692 30.983 31.700 -0.043 0.000 1.044 172 T N 5.506 120.023 114.554 -0.062 0.000 2.888 172 T HA -0.121 4.188 4.350 -0.068 0.000 0.301 172 T C 0.053 174.731 174.700 -0.037 0.000 1.001 172 T CA 0.576 62.642 62.100 -0.058 0.000 1.147 172 T CB 0.474 69.309 68.868 -0.055 0.000 0.931 172 T HN -0.256 7.945 8.240 -0.064 0.000 0.541 173 D N 5.575 125.954 120.400 -0.035 0.000 2.494 173 D HA 0.003 4.629 4.640 -0.023 0.000 0.217 173 D C -0.717 175.569 176.300 -0.024 0.000 1.153 173 D CA -0.288 53.697 54.000 -0.026 0.000 0.954 173 D CB -0.968 39.818 40.800 -0.024 0.000 1.034 173 D HN 0.223 8.569 8.370 -0.040 0.000 0.518 174 Q N 1.172 120.960 119.800 -0.019 0.000 3.083 174 Q HA -0.063 4.265 4.340 -0.021 0.000 0.310 174 Q C -2.084 173.907 176.000 -0.015 0.000 0.880 174 Q CA -0.373 55.416 55.803 -0.023 0.000 0.809 174 Q CB 1.454 30.171 28.738 -0.036 0.000 1.596 174 Q HN -0.483 7.779 8.270 -0.014 0.000 0.487 175 c N 1.370 119.951 118.600 -0.032 0.000 2.634 175 c HA 0.099 4.689 4.570 0.033 0.000 0.417 175 c C -0.307 173.774 174.090 -0.015 0.000 1.334 175 c CA 1.423 57.740 56.329 -0.020 0.000 1.829 175 c CB -0.811 41.652 42.510 -0.078 0.000 2.665 175 c HN 0.275 8.477 8.230 -0.047 0.000 0.614 176 I N 0.733 121.368 120.570 0.108 0.000 5.417 176 I HA -0.118 4.168 4.170 0.194 0.000 0.339 176 I C -1.938 174.406 176.117 0.377 0.000 0.801 176 I CA 0.363 61.794 61.300 0.220 0.000 1.713 176 I CB 1.389 39.521 38.000 0.220 0.000 2.787 176 I HN 0.160 8.460 8.210 0.149 0.000 0.916 177 D N 2.441 123.024 120.400 0.305 0.000 2.357 177 D HA -0.124 4.869 4.640 0.589 0.000 0.265 177 D C -0.529 175.935 176.300 0.272 0.000 1.334 177 D CA 1.156 55.354 54.000 0.329 0.000 0.984 177 D CB -0.222 40.655 40.800 0.130 0.000 1.077 177 D HN -0.005 8.483 8.370 0.198 0.000 0.514 178 N N 0.000 118.873 118.700 0.289 0.000 1.763 178 N HA 0.000 4.809 4.740 0.116 0.000 0.220 178 N CA 0.000 53.120 53.050 0.116 0.000 0.885 178 N CB 0.000 38.475 38.487 -0.021 0.000 1.341 178 N HN 0.000 8.647 8.380 0.444 0.000 0.667