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 3kqr_1_D DATA FIRST_RESID 1 DATA SEQUENCE HTDLSGKVFV FPRESVTDHV NLITPLEKPL QNFTLcFRAY SDLSRAYSLF DATA SEQUENCE SYNTQGRDNE LLVYKERVGE YSLYIGRHKV TSKVIEKFPA PVHIcVSWES DATA SEQUENCE SSGIAEFWIN GTPLVKKGLR QGYFVEAQPK IVLGQEQDSY GGKFDRSQSF DATA SEQUENCE VGEIGDLYMW DSVLPPENIL SAYQGTPLPA NILDWQALNY EIRGYVIIKP DATA SEQUENCE LVWV 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 H HA 0.000 4.504 4.556 -0.087 0.000 0.296 1 H C 0.000 175.294 175.328 -0.056 0.000 0.993 1 H CA 0.000 56.011 56.048 -0.061 0.000 1.023 1 H CB 0.000 29.743 29.762 -0.031 0.000 1.292 2 T N 1.348 116.004 114.554 0.170 0.000 2.916 2 T HA 0.219 4.591 4.350 0.037 0.000 0.298 2 T C -2.017 172.693 174.700 0.016 0.000 1.031 2 T CA -0.561 61.582 62.100 0.071 0.000 0.993 2 T CB 2.799 71.728 68.868 0.101 0.000 1.045 2 T HN 0.005 8.446 8.240 0.198 -0.082 0.454 3 D N 6.133 126.519 120.400 -0.022 0.000 2.396 3 D HA 0.134 4.723 4.640 -0.098 -0.008 0.225 3 D C -0.452 175.731 176.300 -0.195 0.000 1.121 3 D CA -0.617 53.335 54.000 -0.081 0.000 0.853 3 D CB -0.202 40.593 40.800 -0.008 0.000 1.043 3 D HN 0.416 8.782 8.370 -0.008 0.000 0.500 4 L N 5.557 126.509 121.223 -0.451 0.000 2.685 4 L HA 0.134 4.227 4.340 -0.412 0.000 0.233 4 L C -0.466 176.248 176.870 -0.260 0.000 1.173 4 L CA -1.034 53.435 54.840 -0.618 0.000 0.961 4 L CB -0.453 40.714 42.059 -1.488 0.000 1.217 4 L HN 0.232 8.117 8.230 -0.573 0.000 0.478 5 S N 0.798 116.474 115.700 -0.039 0.000 2.626 5 S HA -0.237 4.417 4.470 0.307 0.000 0.303 5 S C 0.794 175.449 174.600 0.092 0.000 1.256 5 S CA 2.513 60.800 58.200 0.144 0.000 1.069 5 S CB -0.111 63.149 63.200 0.100 0.000 0.807 5 S HN -0.408 8.119 8.310 -0.067 -0.258 0.500 6 G N 3.276 112.148 108.800 0.120 0.000 2.159 6 G HA2 -0.420 3.540 3.960 0.001 0.000 0.256 6 G HA3 -0.420 3.548 3.960 0.014 0.000 0.256 6 G C -1.205 173.706 174.900 0.018 0.000 0.977 6 G CA 0.590 45.710 45.100 0.033 0.000 0.652 6 G HN 0.578 8.968 8.290 0.167 0.000 0.531 7 K N -1.016 119.439 120.400 0.092 0.000 2.395 7 K HA 0.976 5.437 4.320 0.007 -0.137 0.247 7 K C -1.521 175.177 176.600 0.163 0.000 0.973 7 K CA -1.582 54.733 56.287 0.046 0.000 0.828 7 K CB 4.603 37.065 32.500 -0.062 0.000 1.272 7 K HN -0.425 7.901 8.250 0.203 0.045 0.439 8 V N -5.298 114.669 119.914 0.089 0.000 3.001 8 V HA 0.674 5.058 4.120 0.281 -0.096 0.314 8 V C -1.614 174.515 176.094 0.059 0.000 1.099 8 V CA -2.944 59.459 62.300 0.172 0.000 0.989 8 V CB 3.204 35.181 31.823 0.255 0.000 1.040 8 V HN 0.556 8.771 8.190 0.042 0.000 0.434 9 F N 1.286 121.385 119.950 0.248 0.000 2.438 9 F HA 0.150 4.600 4.527 -0.128 0.000 0.356 9 F C -0.150 175.643 175.800 -0.013 0.000 1.099 9 F CA -0.799 57.191 58.000 -0.016 0.000 1.185 9 F CB 0.419 39.368 39.000 -0.086 0.000 1.115 9 F HN -0.080 8.395 8.300 0.293 0.000 0.526 10 V N 2.548 122.466 119.914 0.007 0.000 2.347 10 V HA 0.250 4.622 4.120 0.165 -0.153 0.280 10 V C -1.010 174.901 176.094 -0.305 0.000 1.021 10 V CA -0.866 61.425 62.300 -0.015 0.000 0.847 10 V CB 1.124 32.934 31.823 -0.021 0.000 0.990 10 V HN 0.670 8.834 8.190 -0.044 0.000 0.444 11 F N 6.874 126.831 119.950 0.012 0.000 2.351 11 F HA 0.604 5.052 4.527 -0.132 0.000 0.362 11 F C -1.607 174.077 175.800 -0.193 0.000 1.131 11 F CA -2.536 55.413 58.000 -0.085 0.000 1.187 11 F CB 0.106 39.123 39.000 0.028 0.000 1.434 11 F HN 0.694 9.220 8.300 0.377 0.000 0.553 12 P HA 0.047 4.378 4.420 -0.148 0.000 0.255 12 P C -1.484 175.770 177.300 -0.076 0.000 1.248 12 P CA 0.244 63.222 63.100 -0.204 0.000 0.807 12 P CB -0.016 31.445 31.700 -0.399 0.000 1.150 13 R N -3.145 117.344 120.500 -0.018 0.000 2.692 13 R HA 0.198 4.539 4.340 0.000 0.000 0.269 13 R C -2.142 174.171 176.300 0.022 0.000 1.030 13 R CA -1.985 54.136 56.100 0.034 0.000 0.882 13 R CB 1.586 31.971 30.300 0.142 0.000 1.250 13 R HN -0.796 7.414 8.270 -0.013 0.052 0.465 14 E N 2.350 122.550 120.200 0.000 0.000 2.360 14 E HA -0.137 4.199 4.350 -0.023 0.000 0.269 14 E C -1.123 175.500 176.600 0.039 0.000 1.022 14 E CA 0.591 56.989 56.400 -0.002 0.000 0.887 14 E CB 0.805 30.496 29.700 -0.015 0.000 0.990 14 E HN 0.240 8.596 8.360 -0.006 0.000 0.426 15 S N 3.453 119.178 115.700 0.043 0.000 2.636 15 S HA 0.038 4.547 4.470 0.065 0.000 0.266 15 S C -1.037 173.602 174.600 0.065 0.000 1.147 15 S CA -0.642 57.598 58.200 0.067 0.000 0.815 15 S CB 1.953 65.214 63.200 0.102 0.000 1.119 15 S HN -0.250 8.076 8.310 0.027 0.000 0.470 16 V N 0.407 120.376 119.914 0.092 0.000 3.578 16 V HA 0.248 4.433 4.120 0.108 0.000 0.290 16 V C -0.927 175.285 176.094 0.197 0.000 1.376 16 V CA -0.468 61.909 62.300 0.128 0.000 1.083 16 V CB 0.130 32.029 31.823 0.128 0.000 0.911 16 V HN 0.372 8.619 8.190 0.095 0.000 0.433 17 T N -4.632 110.027 114.554 0.175 0.000 2.999 17 T HA 0.117 4.666 4.350 0.331 0.000 0.247 17 T C 0.252 175.130 174.700 0.297 0.000 1.012 17 T CA -0.232 62.018 62.100 0.250 0.000 1.048 17 T CB 1.251 70.233 68.868 0.190 0.000 1.020 17 T HN -0.952 7.321 8.240 0.142 0.053 0.478 18 D N 4.426 124.948 120.400 0.204 0.000 2.348 18 D HA 0.289 5.215 4.640 0.188 -0.174 0.253 18 D C -0.699 175.756 176.300 0.259 0.000 1.161 18 D CA 1.067 55.197 54.000 0.216 0.000 0.876 18 D CB 0.164 41.094 40.800 0.217 0.000 1.160 18 D HN -0.393 8.074 8.370 0.161 0.000 0.459 19 H N -1.439 117.668 119.070 0.062 0.000 2.967 19 H HA 0.480 5.247 4.556 0.186 -0.099 0.318 19 H C -2.939 172.406 175.328 0.028 0.000 1.375 19 H CA -1.095 54.976 56.048 0.038 0.000 1.132 19 H CB 2.411 32.028 29.762 -0.241 0.000 1.848 19 H HN 0.533 8.811 8.280 -0.004 0.000 0.524 20 V N -0.614 119.324 119.914 0.041 0.000 2.487 20 V HA 0.499 4.674 4.120 -0.242 -0.201 0.298 20 V C -1.261 174.821 176.094 -0.020 0.000 1.028 20 V CA -1.976 60.225 62.300 -0.165 0.000 0.860 20 V CB 3.068 34.597 31.823 -0.488 0.000 0.991 20 V HN 0.279 8.562 8.190 0.155 0.000 0.427 21 N N 6.465 125.167 118.700 0.002 0.000 2.455 21 N HA 0.511 5.462 4.740 0.037 -0.189 0.280 21 N C -0.804 174.734 175.510 0.047 0.000 1.055 21 N CA -1.045 52.027 53.050 0.037 0.000 0.961 21 N CB 1.411 39.923 38.487 0.041 0.000 1.121 21 N HN 0.085 8.441 8.380 -0.039 0.000 0.476 22 L N 2.792 124.032 121.223 0.029 0.000 2.282 22 L HA 0.338 4.765 4.340 0.146 0.000 0.288 22 L C -1.047 175.849 176.870 0.044 0.000 1.033 22 L CA -0.609 54.282 54.840 0.085 0.000 0.807 22 L CB 1.225 43.354 42.059 0.117 0.000 1.209 22 L HN 0.188 8.408 8.230 -0.018 0.000 0.423 23 I N 3.575 124.183 120.570 0.063 0.000 2.339 23 I HA 0.220 4.393 4.170 0.005 0.000 0.290 23 I C -1.129 175.015 176.117 0.046 0.000 0.994 23 I CA -0.429 60.889 61.300 0.030 0.000 1.191 23 I CB 1.404 39.414 38.000 0.016 0.000 1.343 23 I HN 0.064 8.331 8.210 0.094 0.000 0.458 24 T N 6.190 120.765 114.554 0.036 0.000 2.916 24 T HA 0.424 4.805 4.350 0.053 0.000 0.298 24 T C -1.752 172.973 174.700 0.042 0.000 1.031 24 T CA -4.018 58.113 62.100 0.052 0.000 0.993 24 T CB 2.023 70.942 68.868 0.084 0.000 1.045 24 T HN 0.152 8.402 8.240 0.017 0.000 0.454 25 P HA 0.185 4.627 4.420 0.037 0.000 0.218 25 P C -2.056 175.279 177.300 0.058 0.000 1.793 25 P CA -0.604 62.523 63.100 0.044 0.000 0.941 25 P CB -1.449 30.276 31.700 0.042 0.000 1.919 26 L N 2.309 123.572 121.223 0.066 0.000 2.283 26 L HA 0.110 4.508 4.340 0.097 0.000 0.287 26 L C -0.591 176.329 176.870 0.082 0.000 1.073 26 L CA -0.507 54.388 54.840 0.092 0.000 0.822 26 L CB 0.689 42.826 42.059 0.130 0.000 1.186 26 L HN -0.546 7.662 8.230 0.057 0.057 0.436 27 E N 4.766 125.013 120.200 0.078 0.000 2.413 27 E HA 0.039 4.423 4.350 0.057 0.000 0.203 27 E C -0.802 175.839 176.600 0.069 0.000 0.957 27 E CA 0.434 56.871 56.400 0.063 0.000 0.950 27 E CB 0.612 30.342 29.700 0.049 0.000 0.957 27 E HN 0.299 8.708 8.360 0.081 0.000 0.497 28 K N 1.109 121.563 120.400 0.089 0.000 2.185 28 K HA 0.336 4.700 4.320 0.072 0.000 0.269 28 K C -2.430 174.253 176.600 0.140 0.000 0.987 28 K CA -2.878 53.467 56.287 0.096 0.000 0.865 28 K CB 1.132 33.690 32.500 0.097 0.000 1.090 28 K HN -0.511 7.798 8.250 0.098 0.000 0.450 29 P HA -0.151 4.495 4.420 0.200 -0.106 0.266 29 P C -0.924 176.548 177.300 0.285 0.000 1.193 29 P CA -0.045 63.179 63.100 0.206 0.000 0.770 29 P CB 0.722 32.525 31.700 0.172 0.000 0.836 30 L N 2.140 123.540 121.223 0.294 0.000 2.276 30 L HA 0.159 4.666 4.340 0.278 0.000 0.286 30 L C 0.518 177.574 176.870 0.310 0.000 1.061 30 L CA -0.433 54.589 54.840 0.303 0.000 0.807 30 L CB 0.223 42.463 42.059 0.303 0.000 1.177 30 L HN 0.118 8.515 8.230 0.278 0.000 0.429 31 Q N 1.140 121.055 119.800 0.192 0.000 2.259 31 Q HA -0.033 4.183 4.340 -0.206 0.000 0.201 31 Q C -0.868 175.111 176.000 -0.035 0.000 0.938 31 Q CA 2.479 58.245 55.803 -0.062 0.000 0.872 31 Q CB 1.819 30.451 28.738 -0.177 0.000 0.971 31 Q HN 0.512 8.898 8.270 0.194 0.000 0.494 32 N N -3.490 115.272 118.700 0.103 0.000 2.242 32 N HA 0.958 5.841 4.740 -0.084 -0.194 0.292 32 N C -1.584 174.091 175.510 0.274 0.000 1.125 32 N CA -0.784 52.292 53.050 0.045 0.000 0.783 32 N CB 4.134 42.596 38.487 -0.042 0.000 1.558 32 N HN -0.689 7.791 8.380 0.167 0.000 0.472 33 F N -2.819 117.220 119.950 0.149 0.000 2.713 33 F HA 0.669 5.472 4.527 0.182 -0.167 0.311 33 F C -2.437 173.453 175.800 0.149 0.000 1.141 33 F CA -1.376 56.728 58.000 0.174 0.000 0.939 33 F CB 3.041 42.151 39.000 0.183 0.000 1.325 33 F HN 0.472 8.651 8.300 -0.201 0.000 0.453 34 T N 1.605 116.398 114.554 0.398 0.000 2.886 34 T HA 0.576 5.185 4.350 0.121 -0.186 0.292 34 T C -2.306 172.754 174.700 0.600 0.000 1.012 34 T CA -0.602 61.688 62.100 0.317 0.000 0.982 34 T CB 3.020 71.945 68.868 0.095 0.000 1.018 34 T HN 0.187 8.755 8.240 0.547 0.000 0.451 35 L N 6.756 128.247 121.223 0.448 0.000 2.381 35 L HA 0.810 5.543 4.340 0.364 -0.175 0.274 35 L C -2.744 174.301 176.870 0.291 0.000 0.988 35 L CA -1.387 53.654 54.840 0.334 0.000 0.824 35 L CB 3.786 45.895 42.059 0.084 0.000 1.263 35 L HN 0.567 8.999 8.230 0.336 0.000 0.410 36 c N 5.301 124.125 118.600 0.373 0.000 2.634 36 c HA 1.104 5.842 4.570 -0.097 -0.227 0.313 36 c C -1.383 172.849 174.090 0.236 0.000 1.198 36 c CA -1.712 54.724 56.329 0.179 0.000 1.605 36 c CB 2.696 45.426 42.510 0.368 0.000 2.196 36 c HN 0.602 9.098 8.230 0.444 0.000 0.486 37 F N -3.376 116.515 119.950 -0.099 0.000 2.807 37 F HA 0.828 5.572 4.527 -0.055 -0.250 0.316 37 F C -2.676 173.078 175.800 -0.076 0.000 1.162 37 F CA -1.603 56.349 58.000 -0.080 0.000 0.910 37 F CB 2.030 40.986 39.000 -0.074 0.000 1.314 37 F HN 0.668 8.502 8.300 -0.776 0.000 0.454 38 R N -1.574 119.072 120.500 0.244 0.000 2.589 38 R HA 0.939 5.634 4.340 0.284 -0.184 0.293 38 R C -1.403 175.246 176.300 0.580 0.000 0.963 38 R CA -1.615 54.712 56.100 0.378 0.000 0.905 38 R CB 4.083 34.635 30.300 0.420 0.000 1.144 38 R HN 0.327 8.731 8.270 0.224 0.000 0.459 39 A N 2.225 125.377 122.820 0.552 0.000 2.539 39 A HA 0.894 5.757 4.320 0.574 -0.199 0.296 39 A C -2.731 174.997 177.584 0.241 0.000 1.073 39 A CA -1.679 50.662 52.037 0.505 0.000 0.700 39 A CB 4.550 23.857 19.000 0.511 0.000 1.296 39 A HN 0.691 9.115 8.150 0.457 0.000 0.405 40 Y N 2.206 122.466 120.300 -0.067 0.000 2.315 40 Y HA 0.366 4.721 4.550 -0.326 0.000 0.324 40 Y C -2.384 173.405 175.900 -0.185 0.000 1.062 40 Y CA -1.663 56.185 58.100 -0.420 0.000 1.159 40 Y CB 2.981 40.631 38.460 -1.350 0.000 1.145 40 Y HN 0.284 8.788 8.280 0.373 0.000 0.442 41 S N 5.086 120.739 115.700 -0.078 0.000 2.546 41 S HA 0.292 4.472 4.470 -0.483 0.000 0.274 41 S C -1.149 173.318 174.600 -0.223 0.000 1.121 41 S CA -1.953 56.061 58.200 -0.310 0.000 0.887 41 S CB 2.557 65.522 63.200 -0.391 0.000 1.094 41 S HN 0.298 8.669 8.310 0.102 0.000 0.474 42 D N 3.959 124.187 120.400 -0.287 0.000 2.501 42 D HA 0.146 4.722 4.640 -0.107 0.000 0.226 42 D C -0.509 175.854 176.300 0.104 0.000 1.198 42 D CA -1.143 52.771 54.000 -0.144 0.000 0.830 42 D CB -0.591 40.026 40.800 -0.304 0.000 1.014 42 D HN 0.243 8.395 8.370 -0.363 0.000 0.496 43 L N 1.144 122.380 121.223 0.023 0.000 2.416 43 L HA -0.082 4.282 4.340 0.041 0.000 0.272 43 L C 0.045 177.047 176.870 0.220 0.000 1.161 43 L CA 0.915 55.795 54.840 0.066 0.000 0.845 43 L CB 0.501 42.495 42.059 -0.108 0.000 1.119 43 L HN -0.695 7.403 8.230 -0.134 0.051 0.464 44 S N 1.114 116.858 115.700 0.074 0.000 2.497 44 S HA -0.052 4.259 4.470 -0.265 0.000 0.218 44 S C -0.135 174.420 174.600 -0.075 0.000 1.023 44 S CA 0.636 58.755 58.200 -0.135 0.000 0.913 44 S CB 0.426 63.478 63.200 -0.245 0.000 0.800 44 S HN 0.218 8.566 8.310 0.064 0.000 0.505 45 R N 0.693 121.197 120.500 0.006 0.000 2.726 45 R HA -0.082 4.240 4.340 -0.030 0.000 0.272 45 R C -0.407 175.904 176.300 0.018 0.000 1.097 45 R CA -0.042 56.062 56.100 0.007 0.000 1.198 45 R CB 0.290 30.607 30.300 0.029 0.000 1.114 45 R HN -0.591 7.695 8.270 0.027 0.000 0.550 46 A N -0.556 122.233 122.820 -0.051 0.000 2.425 46 A HA 0.461 4.693 4.320 -0.423 -0.165 0.242 46 A C -0.863 176.638 177.584 -0.139 0.000 1.077 46 A CA -0.200 51.698 52.037 -0.232 0.000 0.781 46 A CB 1.074 20.001 19.000 -0.123 0.000 1.020 46 A HN 0.065 8.200 8.150 -0.026 0.000 0.494 47 Y N -4.986 115.025 120.300 -0.481 0.000 2.624 47 Y HA 0.228 4.788 4.550 -0.187 -0.122 0.334 47 Y C -2.436 173.191 175.900 -0.453 0.000 1.155 47 Y CA -1.900 56.011 58.100 -0.314 0.000 1.046 47 Y CB 1.583 40.002 38.460 -0.069 0.000 1.316 47 Y HN -0.104 7.539 8.280 -1.062 0.000 0.457 48 S N -0.113 115.657 115.700 0.117 0.000 2.523 48 S HA 0.153 4.772 4.470 0.248 0.000 0.275 48 S C -0.070 174.646 174.600 0.194 0.000 1.281 48 S CA -1.162 57.166 58.200 0.214 0.000 1.050 48 S CB 0.834 64.179 63.200 0.242 0.000 0.937 48 S HN -0.116 8.322 8.310 0.213 0.000 0.492 49 L N 5.495 126.823 121.223 0.175 0.000 2.253 49 L HA 0.172 4.411 4.340 -0.169 0.000 0.205 49 L C -0.403 176.419 176.870 -0.080 0.000 1.078 49 L CA 1.099 55.947 54.840 0.012 0.000 0.805 49 L CB 1.413 43.617 42.059 0.241 0.000 0.963 49 L HN 0.194 8.559 8.230 0.225 0.000 0.459 50 F N -1.847 118.054 119.950 -0.081 0.000 2.689 50 F HA 0.243 4.677 4.527 -0.156 0.000 0.332 50 F C -2.808 173.011 175.800 0.032 0.000 1.209 50 F CA -0.905 57.040 58.000 -0.093 0.000 1.028 50 F CB 3.606 42.541 39.000 -0.107 0.000 1.291 50 F HN -0.803 7.656 8.300 0.265 0.000 0.500 51 S N 8.533 124.079 115.700 -0.257 0.000 2.566 51 S HA 0.325 4.807 4.470 0.020 0.000 0.324 51 S C -2.259 172.231 174.600 -0.185 0.000 1.081 51 S CA -1.385 56.745 58.200 -0.117 0.000 1.105 51 S CB 1.261 64.419 63.200 -0.071 0.000 0.981 51 S HN 0.219 8.266 8.310 -0.438 0.000 0.464 52 Y N 9.107 129.305 120.300 -0.170 0.000 2.338 52 Y HA 0.681 5.327 4.550 -0.173 -0.200 0.328 52 Y C -2.788 173.105 175.900 -0.011 0.000 0.965 52 Y CA -2.066 55.964 58.100 -0.116 0.000 1.208 52 Y CB 3.174 41.617 38.460 -0.027 0.000 1.132 52 Y HN 0.496 8.878 8.280 0.170 0.000 0.469 53 N N 8.350 127.119 118.700 0.116 0.000 2.335 53 N HA 0.649 5.518 4.740 0.215 0.000 0.304 53 N C -1.272 174.356 175.510 0.198 0.000 1.135 53 N CA -1.308 51.843 53.050 0.167 0.000 0.817 53 N CB 4.554 43.115 38.487 0.123 0.000 1.294 53 N HN -0.081 8.285 8.380 -0.024 0.000 0.497 54 T N -4.282 110.404 114.554 0.220 0.000 2.888 54 T HA 0.437 4.964 4.350 0.295 0.000 0.288 54 T C -1.156 173.483 174.700 -0.102 0.000 1.063 54 T CA -2.524 59.659 62.100 0.139 0.000 1.010 54 T CB 2.663 71.585 68.868 0.090 0.000 1.214 54 T HN -0.005 8.349 8.240 0.189 0.000 0.533 55 Q N 2.481 121.944 119.800 -0.563 0.000 2.255 55 Q HA -0.244 3.661 4.340 -0.725 0.000 0.280 55 Q C 1.057 176.927 176.000 -0.217 0.000 1.068 55 Q CA 1.669 57.104 55.803 -0.613 0.000 0.911 55 Q CB -0.197 28.147 28.738 -0.657 0.000 1.157 55 Q HN 0.563 8.471 8.270 -0.603 0.000 0.380 56 G N 4.800 113.528 108.800 -0.120 0.000 2.162 56 G HA2 -0.295 3.646 3.960 -0.031 0.000 0.260 56 G HA3 -0.295 3.637 3.960 -0.047 0.000 0.260 56 G C -0.589 174.312 174.900 0.002 0.000 0.976 56 G CA 0.182 45.256 45.100 -0.043 0.000 0.655 56 G HN 0.264 8.486 8.290 -0.113 0.000 0.533 57 R N 0.366 120.879 120.500 0.023 0.000 2.468 57 R HA 0.223 4.597 4.340 0.057 0.000 0.302 57 R C -2.152 174.195 176.300 0.078 0.000 1.041 57 R CA -1.327 54.811 56.100 0.063 0.000 0.899 57 R CB 1.809 32.166 30.300 0.096 0.000 1.167 57 R HN -0.365 7.870 8.270 0.016 0.045 0.483 58 D N 2.028 122.460 120.400 0.054 0.000 2.304 58 D HA -0.072 4.593 4.640 0.041 0.000 0.247 58 D C -0.225 176.091 176.300 0.028 0.000 1.089 58 D CA 0.501 54.521 54.000 0.033 0.000 0.910 58 D CB 1.417 42.216 40.800 -0.001 0.000 1.199 58 D HN 0.294 8.690 8.370 0.044 0.000 0.426 59 N N 0.493 119.192 118.700 -0.001 0.000 2.740 59 N HA -0.475 4.230 4.740 -0.058 0.000 0.248 59 N C 0.210 175.755 175.510 0.059 0.000 1.062 59 N CA 1.322 54.346 53.050 -0.042 0.000 0.704 59 N CB -1.929 36.432 38.487 -0.210 0.000 0.968 59 N HN 0.348 8.974 8.380 0.000 -0.246 0.547 60 E N 0.589 120.864 120.200 0.124 0.000 2.106 60 E HA -0.208 4.216 4.350 0.123 0.000 0.192 60 E C -0.897 175.725 176.600 0.036 0.000 0.984 60 E CA 2.245 58.736 56.400 0.151 0.000 0.806 60 E CB 1.073 30.949 29.700 0.292 0.000 0.750 60 E HN -0.343 8.109 8.360 0.154 0.000 0.458 61 L N -2.558 118.681 121.223 0.026 0.000 2.541 61 L HA 0.625 5.144 4.340 -0.068 -0.220 0.266 61 L C -2.991 173.955 176.870 0.126 0.000 0.966 61 L CA -1.005 53.779 54.840 -0.093 0.000 0.871 61 L CB 2.884 44.593 42.059 -0.582 0.000 1.232 61 L HN -0.379 7.939 8.230 0.147 0.000 0.408 62 L N 6.737 128.081 121.223 0.203 0.000 2.438 62 L HA 0.862 5.561 4.340 0.283 -0.190 0.270 62 L C -2.540 174.573 176.870 0.405 0.000 0.972 62 L CA -1.210 53.786 54.840 0.259 0.000 0.831 62 L CB 4.581 46.661 42.059 0.035 0.000 1.273 62 L HN 0.111 8.475 8.230 0.223 0.000 0.405 63 V N 7.636 127.823 119.914 0.456 0.000 2.370 63 V HA 0.552 5.207 4.120 0.581 -0.186 0.283 63 V C -1.986 174.412 176.094 0.507 0.000 1.023 63 V CA -1.255 61.365 62.300 0.533 0.000 0.857 63 V CB 1.162 33.322 31.823 0.563 0.000 0.985 63 V HN 0.490 8.956 8.190 0.460 0.000 0.443 64 Y N 9.543 130.036 120.300 0.322 0.000 2.406 64 Y HA 0.367 5.100 4.550 0.129 -0.106 0.340 64 Y C -2.963 172.951 175.900 0.024 0.000 0.975 64 Y CA -1.629 56.571 58.100 0.167 0.000 1.056 64 Y CB 5.016 43.599 38.460 0.204 0.000 1.210 64 Y HN 0.597 9.224 8.280 0.578 0.000 0.448 65 K N 6.704 126.757 120.400 -0.579 0.000 2.281 65 K HA 0.447 4.540 4.320 -0.585 -0.124 0.272 65 K C 0.150 176.293 176.600 -0.762 0.000 1.048 65 K CA -2.172 53.675 56.287 -0.734 0.000 0.898 65 K CB 0.973 32.821 32.500 -1.088 0.000 1.128 65 K HN 0.350 8.102 8.250 -0.830 0.000 0.460 66 E N 7.804 127.759 120.200 -0.408 0.000 2.072 66 E HA -0.183 4.111 4.350 -0.093 0.000 0.190 66 E C -0.086 176.361 176.600 -0.255 0.000 0.982 66 E CA 2.377 58.654 56.400 -0.205 0.000 0.803 66 E CB 0.743 30.395 29.700 -0.080 0.000 0.755 66 E HN -0.097 8.050 8.360 -0.354 0.000 0.453 67 R N -9.896 110.410 120.500 -0.324 0.000 2.829 67 R HA 0.200 4.375 4.340 -0.275 0.000 0.284 67 R C -1.905 174.205 176.300 -0.316 0.000 1.006 67 R CA -1.392 54.541 56.100 -0.278 0.000 0.844 67 R CB 1.743 31.929 30.300 -0.191 0.000 1.309 67 R HN -0.982 7.054 8.270 -0.391 0.000 0.494 68 V N -1.574 118.170 119.914 -0.283 0.000 2.644 68 V HA -0.352 3.639 4.120 -0.215 0.000 0.305 68 V C 1.079 177.061 176.094 -0.187 0.000 1.053 68 V CA 1.348 63.507 62.300 -0.234 0.000 1.186 68 V CB -0.605 31.070 31.823 -0.246 0.000 0.895 68 V HN 0.313 8.326 8.190 -0.295 0.000 0.490 69 G N 5.562 114.265 108.800 -0.162 0.000 2.159 69 G HA2 -0.453 3.581 3.960 0.012 0.000 0.256 69 G HA3 -0.453 3.501 3.960 -0.059 -0.030 0.256 69 G C -1.254 173.565 174.900 -0.136 0.000 0.977 69 G CA 0.071 45.122 45.100 -0.082 0.000 0.652 69 G HN 0.611 9.111 8.290 -0.162 -0.307 0.531 70 E N -0.404 119.592 120.200 -0.339 0.000 2.265 70 E HA 0.614 5.030 4.350 -0.159 -0.161 0.262 70 E C -1.893 174.398 176.600 -0.515 0.000 0.889 70 E CA -1.380 54.848 56.400 -0.287 0.000 0.789 70 E CB 3.333 32.916 29.700 -0.195 0.000 1.221 70 E HN -0.674 7.364 8.360 -0.480 0.034 0.414 71 Y N 4.253 124.360 120.300 -0.322 0.000 2.364 71 Y HA 0.351 4.723 4.550 -0.297 0.000 0.340 71 Y C -0.996 174.694 175.900 -0.352 0.000 0.975 71 Y CA -1.155 56.665 58.100 -0.467 0.000 1.089 71 Y CB 3.071 40.922 38.460 -1.014 0.000 1.192 71 Y HN 0.476 8.682 8.280 -0.125 0.000 0.454 72 S N 1.148 116.915 115.700 0.111 0.000 2.532 72 S HA 0.844 5.635 4.470 0.231 -0.182 0.301 72 S C -1.958 172.982 174.600 0.568 0.000 1.083 72 S CA -1.435 56.935 58.200 0.284 0.000 1.025 72 S CB 2.797 66.145 63.200 0.248 0.000 1.056 72 S HN 0.598 9.008 8.310 0.167 0.000 0.494 73 L N 3.744 125.258 121.223 0.485 0.000 2.362 73 L HA 0.791 5.607 4.340 0.481 -0.187 0.275 73 L C -2.345 174.623 176.870 0.165 0.000 0.998 73 L CA -1.488 53.584 54.840 0.386 0.000 0.820 73 L CB 3.780 45.970 42.059 0.219 0.000 1.270 73 L HN 0.139 8.597 8.230 0.380 0.000 0.415 74 Y N 4.863 125.223 120.300 0.101 0.000 2.360 74 Y HA 0.855 5.640 4.550 0.009 -0.230 0.337 74 Y C -0.283 175.564 175.900 -0.087 0.000 1.039 74 Y CA -1.806 56.301 58.100 0.012 0.000 1.109 74 Y CB 2.610 41.078 38.460 0.013 0.000 1.201 74 Y HN 0.537 9.137 8.280 0.534 0.000 0.458 75 I N 1.986 122.514 120.570 -0.071 0.000 2.447 75 I HA 0.346 4.556 4.170 -0.238 -0.184 0.287 75 I C 0.317 176.246 176.117 -0.313 0.000 1.023 75 I CA -1.983 59.139 61.300 -0.298 0.000 1.083 75 I CB 1.552 39.110 38.000 -0.738 0.000 1.245 75 I HN 0.215 8.378 8.210 -0.078 0.000 0.434 76 G N 8.212 116.886 108.800 -0.211 0.000 2.366 76 G HA2 -0.468 3.636 3.960 -0.065 0.000 0.299 76 G HA3 -0.468 3.078 3.960 -0.689 0.000 0.299 76 G C 0.270 175.085 174.900 -0.142 0.000 1.020 76 G CA 1.083 46.015 45.100 -0.281 0.000 1.026 76 G HN 0.815 8.941 8.290 -0.087 0.112 0.512 77 R N -6.283 114.259 120.500 0.069 0.000 3.862 77 R HA -0.567 3.926 4.340 0.254 0.000 0.470 77 R C -0.266 176.233 176.300 0.332 0.000 0.879 77 R CA 2.361 58.593 56.100 0.219 0.000 1.508 77 R CB -1.507 28.888 30.300 0.160 0.000 2.170 77 R HN 0.013 8.335 8.270 0.087 0.000 0.496 78 H N 0.016 119.070 119.070 -0.025 0.000 2.505 78 H HA 0.213 4.721 4.556 -0.080 0.000 0.351 78 H C -1.427 173.773 175.328 -0.213 0.000 1.151 78 H CA -0.583 55.405 56.048 -0.099 0.000 1.339 78 H CB 1.937 31.620 29.762 -0.131 0.000 1.483 78 H HN -0.589 7.705 8.280 0.168 0.087 0.558 79 K N -0.319 119.949 120.400 -0.220 0.000 2.482 79 K HA 0.841 5.087 4.320 -0.439 -0.189 0.257 79 K C -1.319 175.153 176.600 -0.213 0.000 0.969 79 K CA -1.874 54.133 56.287 -0.467 0.000 0.842 79 K CB 4.034 35.870 32.500 -1.108 0.000 1.359 79 K HN -0.018 8.127 8.250 -0.175 0.000 0.441 80 V N -4.648 115.186 119.914 -0.133 0.000 3.040 80 V HA 0.530 4.627 4.120 -0.038 0.000 0.312 80 V C -2.375 173.740 176.094 0.036 0.000 1.115 80 V CA -1.904 60.385 62.300 -0.018 0.000 0.998 80 V CB 3.460 35.321 31.823 0.063 0.000 1.042 80 V HN 0.587 8.700 8.190 -0.129 0.000 0.433 81 T N 4.140 118.719 114.554 0.042 0.000 2.921 81 T HA 0.646 5.232 4.350 0.062 -0.198 0.297 81 T C -1.161 173.557 174.700 0.029 0.000 1.013 81 T CA -0.758 61.363 62.100 0.035 0.000 0.990 81 T CB 2.082 70.944 68.868 -0.011 0.000 1.023 81 T HN -0.004 8.253 8.240 0.028 0.000 0.447 82 S N 4.320 120.018 115.700 -0.002 0.000 2.599 82 S HA 0.458 4.924 4.470 -0.007 0.000 0.287 82 S C -1.744 172.827 174.600 -0.048 0.000 1.105 82 S CA -1.336 56.855 58.200 -0.015 0.000 0.899 82 S CB 2.503 65.722 63.200 0.032 0.000 1.100 82 S HN 0.394 8.672 8.310 -0.054 0.000 0.482 83 K N 1.463 121.843 120.400 -0.033 0.000 2.208 83 K HA 0.941 5.453 4.320 -0.020 -0.204 0.247 83 K C -1.154 175.438 176.600 -0.014 0.000 0.953 83 K CA -1.777 54.496 56.287 -0.024 0.000 0.837 83 K CB 2.610 35.091 32.500 -0.032 0.000 1.131 83 K HN 0.112 8.343 8.250 -0.032 0.000 0.431 84 V N 0.481 120.403 119.914 0.013 0.000 3.120 84 V HA 0.273 4.385 4.120 -0.014 0.000 0.303 84 V C -2.185 173.923 176.094 0.023 0.000 1.238 84 V CA -2.075 60.232 62.300 0.012 0.000 1.008 84 V CB 4.013 35.849 31.823 0.023 0.000 1.064 84 V HN 0.038 8.241 8.190 0.021 0.000 0.434 85 I N 4.245 124.823 120.570 0.013 0.000 2.452 85 I HA 0.019 4.202 4.170 0.022 0.000 0.287 85 I C -1.005 175.140 176.117 0.046 0.000 1.079 85 I CA 0.657 61.971 61.300 0.023 0.000 1.387 85 I CB -0.173 37.834 38.000 0.012 0.000 1.404 85 I HN 0.180 8.390 8.210 0.000 0.000 0.522 86 E N 5.107 125.346 120.200 0.067 0.000 2.390 86 E HA 0.215 4.616 4.350 0.085 0.000 0.277 86 E C -1.095 175.571 176.600 0.111 0.000 0.939 86 E CA -1.602 54.856 56.400 0.097 0.000 0.769 86 E CB 2.181 31.966 29.700 0.141 0.000 1.251 86 E HN -0.046 8.351 8.360 0.061 0.000 0.450 87 K N 0.639 121.109 120.400 0.116 0.000 2.168 87 K HA 0.029 4.426 4.320 0.127 0.000 0.258 87 K C -1.276 175.449 176.600 0.208 0.000 1.010 87 K CA 0.060 56.425 56.287 0.130 0.000 0.929 87 K CB 0.930 33.481 32.500 0.084 0.000 0.998 87 K HN 0.255 8.567 8.250 0.104 0.000 0.479 88 F N 0.800 120.777 119.950 0.045 0.000 2.574 88 F HA 0.397 4.963 4.527 0.066 0.000 0.313 88 F C -2.075 173.751 175.800 0.044 0.000 1.130 88 F CA -3.112 54.917 58.000 0.049 0.000 0.936 88 F CB 2.075 41.094 39.000 0.031 0.000 1.219 88 F HN -0.137 8.299 8.300 0.227 0.000 0.445 89 P HA 0.191 4.136 4.420 -0.792 0.000 0.276 89 P C -2.303 174.922 177.300 -0.126 0.000 1.244 89 P CA -0.515 62.147 63.100 -0.731 0.000 0.801 89 P CB 1.021 32.309 31.700 -0.687 0.000 1.006 90 A N 0.040 122.895 122.820 0.058 0.000 2.577 90 A HA 0.200 4.517 4.320 -0.005 0.000 0.297 90 A C -2.802 174.789 177.584 0.012 0.000 1.060 90 A CA -1.329 50.734 52.037 0.043 0.000 0.697 90 A CB 0.809 19.840 19.000 0.051 0.000 1.281 90 A HN -0.256 7.958 8.150 0.108 0.000 0.402 91 P HA 0.020 4.366 4.420 -0.376 -0.152 0.267 91 P C -1.324 176.011 177.300 0.059 0.000 1.200 91 P CA -0.111 62.809 63.100 -0.299 0.000 0.772 91 P CB 0.529 32.039 31.700 -0.315 0.000 0.855 92 V N -0.504 119.516 119.914 0.177 0.000 2.925 92 V HA 0.362 4.759 4.120 0.211 -0.150 0.311 92 V C -2.161 174.097 176.094 0.273 0.000 1.104 92 V CA -2.650 59.782 62.300 0.220 0.000 0.954 92 V CB 3.556 35.506 31.823 0.212 0.000 1.022 92 V HN 0.242 8.544 8.190 0.186 0.000 0.427 93 H N 7.664 126.821 119.070 0.146 0.000 2.481 93 H HA 0.508 5.254 4.556 0.091 -0.136 0.333 93 H C -1.690 173.585 175.328 -0.088 0.000 1.066 93 H CA -1.762 54.344 56.048 0.096 0.000 1.209 93 H CB 2.412 32.347 29.762 0.288 0.000 1.445 93 H HN 0.237 9.006 8.280 0.283 -0.319 0.488 94 I N 7.407 127.526 120.570 -0.752 0.000 2.436 94 I HA 0.424 4.513 4.170 -0.403 -0.161 0.289 94 I C -1.932 173.784 176.117 -0.668 0.000 1.010 94 I CA -1.249 59.659 61.300 -0.652 0.000 1.098 94 I CB 2.944 40.473 38.000 -0.784 0.000 1.266 94 I HN 0.574 8.188 8.210 -0.993 0.000 0.434 95 c N 7.148 125.607 118.600 -0.235 0.000 2.455 95 c HA 1.023 5.734 4.570 -0.128 -0.217 0.320 95 c C -1.674 172.422 174.090 0.010 0.000 1.226 95 c CA -1.735 54.542 56.329 -0.087 0.000 1.569 95 c CB 2.521 45.014 42.510 -0.028 0.000 2.200 95 c HN 0.557 8.736 8.230 -0.085 0.000 0.491 96 V N 4.250 124.137 119.914 -0.044 0.000 2.760 96 V HA 1.059 5.293 4.120 -0.239 -0.257 0.309 96 V C -2.829 173.180 176.094 -0.141 0.000 1.077 96 V CA -2.704 59.462 62.300 -0.223 0.000 0.910 96 V CB 3.596 35.062 31.823 -0.595 0.000 1.008 96 V HN 0.809 9.003 8.190 0.007 0.000 0.424 97 S N 6.814 122.381 115.700 -0.221 0.000 2.600 97 S HA 0.914 5.238 4.470 -0.500 -0.155 0.300 97 S C -1.979 172.380 174.600 -0.403 0.000 1.087 97 S CA -1.997 55.989 58.200 -0.356 0.000 0.965 97 S CB 3.022 66.091 63.200 -0.219 0.000 1.089 97 S HN 0.291 8.485 8.310 -0.192 0.000 0.496 98 W N 1.589 122.357 121.300 -0.887 0.000 3.256 98 W HA 0.597 5.265 4.660 -0.379 -0.235 0.324 98 W C -2.732 173.540 176.519 -0.411 0.000 1.196 98 W CA -0.413 56.582 57.345 -0.583 0.000 1.206 98 W CB 4.595 33.731 29.460 -0.541 0.000 1.385 98 W HN 0.474 8.118 8.180 -0.893 0.000 0.522 99 E N 7.382 126.906 120.200 -1.126 0.000 2.220 99 E HA 0.478 4.523 4.350 -0.754 -0.147 0.256 99 E C -0.727 175.035 176.600 -1.397 0.000 0.881 99 E CA -1.960 53.865 56.400 -0.959 0.000 0.766 99 E CB 3.010 32.390 29.700 -0.533 0.000 1.187 99 E HN -0.113 7.475 8.360 -1.287 0.000 0.419 100 S N 8.554 123.413 115.700 -1.401 0.000 2.383 100 S HA -0.335 3.359 4.470 -1.293 0.000 0.229 100 S C 1.710 175.997 174.600 -0.521 0.000 1.030 100 S CA 3.659 61.233 58.200 -1.043 0.000 1.002 100 S CB -0.062 62.727 63.200 -0.684 0.000 0.829 100 S HN 0.574 8.199 8.310 -1.141 0.000 0.467 101 S N 0.136 115.585 115.700 -0.419 0.000 2.399 101 S HA -0.230 4.123 4.470 -0.195 0.000 0.231 101 S C 1.232 175.717 174.600 -0.191 0.000 1.022 101 S CA 2.834 60.890 58.200 -0.241 0.000 0.983 101 S CB -0.075 63.011 63.200 -0.189 0.000 0.803 101 S HN 0.448 8.490 8.310 -0.446 0.000 0.480 102 S N -0.536 115.018 115.700 -0.244 0.000 2.502 102 S HA 0.163 4.563 4.470 -0.117 0.000 0.215 102 S C 1.155 175.668 174.600 -0.146 0.000 1.009 102 S CA -0.127 57.972 58.200 -0.168 0.000 0.908 102 S CB 1.509 64.612 63.200 -0.162 0.000 0.801 102 S HN -0.752 7.363 8.310 -0.325 0.000 0.505 103 G N 2.472 111.124 108.800 -0.247 0.000 2.184 103 G HA2 -0.342 3.661 3.960 -0.069 0.000 0.264 103 G HA3 -0.342 3.657 3.960 0.065 0.000 0.264 103 G C -0.575 174.295 174.900 -0.050 0.000 0.975 103 G CA 0.595 45.646 45.100 -0.082 0.000 0.642 103 G HN -0.087 7.864 8.290 -0.401 0.099 0.536 104 I N 2.414 122.869 120.570 -0.192 0.000 2.496 104 I HA 0.110 4.462 4.170 -0.001 -0.182 0.285 104 I C -1.107 174.986 176.117 -0.041 0.000 1.080 104 I CA -1.402 59.850 61.300 -0.080 0.000 1.404 104 I CB -1.050 36.887 38.000 -0.105 0.000 1.403 104 I HN -0.714 7.285 8.210 -0.276 0.045 0.539 105 A N 8.087 130.960 122.820 0.090 0.000 2.304 105 A HA 0.775 5.349 4.320 0.055 -0.221 0.323 105 A C -1.633 175.944 177.584 -0.011 0.000 1.195 105 A CA -2.346 49.736 52.037 0.075 0.000 0.826 105 A CB 2.939 22.018 19.000 0.131 0.000 1.184 105 A HN 0.775 8.984 8.150 0.098 0.000 0.496 106 E N 3.589 123.749 120.200 -0.067 0.000 2.145 106 E HA 0.423 4.758 4.350 -0.026 0.000 0.262 106 E C -1.623 174.950 176.600 -0.045 0.000 0.883 106 E CA -1.747 54.643 56.400 -0.017 0.000 0.748 106 E CB 2.976 32.757 29.700 0.136 0.000 1.140 106 E HN -0.017 8.280 8.360 -0.104 0.000 0.417 107 F N 4.269 124.201 119.950 -0.030 0.000 2.385 107 F HA 0.428 5.175 4.527 0.050 -0.190 0.336 107 F C -0.306 175.387 175.800 -0.178 0.000 1.100 107 F CA -0.337 57.639 58.000 -0.040 0.000 1.116 107 F CB 2.429 41.368 39.000 -0.102 0.000 1.166 107 F HN 0.434 8.832 8.300 0.162 0.000 0.511 108 W N 1.997 123.314 121.300 0.028 0.000 2.619 108 W HA 0.497 5.314 4.660 -0.066 -0.196 0.327 108 W C -1.347 175.086 176.519 -0.144 0.000 1.027 108 W CA -1.347 55.957 57.345 -0.068 0.000 1.233 108 W CB 2.679 32.090 29.460 -0.082 0.000 1.370 108 W HN 0.775 9.193 8.180 0.397 0.000 0.453 109 I N 3.506 124.060 120.570 -0.027 0.000 2.382 109 I HA 0.600 4.847 4.170 -0.164 -0.176 0.286 109 I C -0.402 175.635 176.117 -0.134 0.000 1.002 109 I CA -3.173 58.044 61.300 -0.139 0.000 1.135 109 I CB 0.055 37.920 38.000 -0.225 0.000 1.288 109 I HN 0.668 8.846 8.210 -0.054 0.000 0.448 110 N N 5.571 124.165 118.700 -0.177 0.000 2.716 110 N HA -0.390 3.935 4.740 -0.692 0.000 0.250 110 N C 0.355 175.318 175.510 -0.912 0.000 1.033 110 N CA 1.507 54.245 53.050 -0.521 0.000 0.727 110 N CB -1.510 36.887 38.487 -0.151 0.000 0.950 110 N HN 0.987 9.316 8.380 -0.085 0.000 0.541 111 G N -7.051 101.356 108.800 -0.655 0.000 2.184 111 G HA2 -0.404 3.501 3.960 -0.092 0.000 0.264 111 G HA3 -0.404 3.263 3.960 -0.488 0.000 0.264 111 G C -0.610 174.362 174.900 0.119 0.000 0.975 111 G CA 0.354 45.279 45.100 -0.292 0.000 0.642 111 G HN 0.494 8.546 8.290 -0.374 0.013 0.536 112 T N 3.872 118.444 114.554 0.029 0.000 2.794 112 T HA 0.306 4.655 4.350 -0.001 0.000 0.280 112 T C -2.502 172.049 174.700 -0.249 0.000 0.987 112 T CA -2.557 59.518 62.100 -0.041 0.000 0.993 112 T CB 1.086 69.900 68.868 -0.091 0.000 0.939 112 T HN -0.487 7.541 8.240 -0.062 0.175 0.449 113 P HA 0.133 3.751 4.420 -1.562 -0.135 0.281 113 P C -0.960 176.006 177.300 -0.558 0.000 1.252 113 P CA -0.558 61.841 63.100 -1.168 0.000 0.778 113 P CB 0.733 31.526 31.700 -1.511 0.000 0.895 114 L N 3.801 124.763 121.223 -0.434 0.000 2.479 114 L HA 0.251 4.474 4.340 -0.196 0.000 0.249 114 L C 0.255 177.007 176.870 -0.197 0.000 1.178 114 L CA -0.596 54.111 54.840 -0.222 0.000 0.811 114 L CB 0.739 42.734 42.059 -0.106 0.000 1.187 114 L HN -0.018 7.931 8.230 -0.469 0.000 0.480 115 V N 0.282 120.128 119.914 -0.112 0.000 2.540 115 V HA -0.189 3.869 4.120 -0.104 0.000 0.297 115 V C 0.116 176.182 176.094 -0.047 0.000 1.024 115 V CA 0.933 63.183 62.300 -0.082 0.000 1.105 115 V CB 0.143 31.936 31.823 -0.050 0.000 0.938 115 V HN 0.388 8.523 8.190 -0.092 0.000 0.482 116 K N 6.842 127.208 120.400 -0.057 0.000 2.436 116 K HA 0.004 4.457 4.320 -0.012 -0.140 0.275 116 K C -0.442 176.164 176.600 0.009 0.000 0.999 116 K CA 1.041 57.315 56.287 -0.023 0.000 0.980 116 K CB 0.748 33.225 32.500 -0.037 0.000 0.919 116 K HN 0.266 8.470 8.250 -0.076 0.000 0.484 117 K N 0.147 120.573 120.400 0.042 0.000 2.409 117 K HA 0.391 4.732 4.320 0.034 0.000 0.252 117 K C -1.363 175.278 176.600 0.069 0.000 1.036 117 K CA -1.974 54.345 56.287 0.053 0.000 0.871 117 K CB 3.791 36.335 32.500 0.073 0.000 1.374 117 K HN 0.002 8.286 8.250 0.056 0.000 0.459 118 G N -1.346 107.499 108.800 0.076 0.000 2.682 118 G HA2 0.823 5.080 3.960 0.136 0.000 0.300 118 G HA3 0.823 4.828 3.960 0.076 0.000 0.300 118 G C -1.944 173.036 174.900 0.133 0.000 1.391 118 G CA -0.355 44.808 45.100 0.105 0.000 0.990 118 G HN -0.050 8.279 8.290 0.064 0.000 0.501 119 L N -1.926 119.431 121.223 0.223 0.000 2.582 119 L HA 0.501 4.943 4.340 0.171 0.000 0.257 119 L C -1.055 176.007 176.870 0.321 0.000 0.974 119 L CA -0.613 54.354 54.840 0.212 0.000 0.851 119 L CB 3.521 45.658 42.059 0.130 0.000 1.424 119 L HN 0.342 8.659 8.230 0.310 0.099 0.412 120 R N -3.360 117.259 120.500 0.199 0.000 3.525 120 R HA -0.488 3.885 4.340 0.054 0.000 0.276 120 R C -0.551 175.976 176.300 0.378 0.000 1.116 120 R CA 0.714 56.921 56.100 0.178 0.000 0.745 120 R CB -2.101 28.178 30.300 -0.035 0.000 1.185 120 R HN 0.631 9.005 8.270 0.173 0.000 0.454 121 Q N -0.032 119.911 119.800 0.237 0.000 2.269 121 Q HA -0.292 4.261 4.340 0.086 -0.161 0.300 121 Q C 1.589 177.676 176.000 0.145 0.000 1.070 121 Q CA 1.394 57.278 55.803 0.134 0.000 0.957 121 Q CB 0.135 28.912 28.738 0.065 0.000 1.131 121 Q HN -0.269 8.100 8.270 0.195 0.017 0.377 122 G N 6.027 114.875 108.800 0.080 0.000 2.176 122 G HA2 -0.475 3.485 3.960 0.000 0.000 0.253 122 G HA3 -0.475 3.559 3.960 0.123 0.000 0.253 122 G C -1.328 173.689 174.900 0.194 0.000 0.979 122 G CA -0.157 44.996 45.100 0.088 0.000 0.641 122 G HN 0.563 8.735 8.290 -0.009 0.113 0.530 123 Y N 0.623 121.021 120.300 0.163 0.000 2.300 123 Y HA -0.033 4.700 4.550 0.305 0.000 0.328 123 Y C -1.924 174.124 175.900 0.246 0.000 1.270 123 Y CA 0.355 58.615 58.100 0.267 0.000 1.352 123 Y CB 1.778 40.372 38.460 0.224 0.000 1.286 123 Y HN -0.555 7.936 8.280 0.451 0.060 0.536 124 F N 1.549 121.213 119.950 -0.476 0.000 2.477 124 F HA 0.180 4.869 4.527 0.078 -0.116 0.335 124 F C -0.520 174.981 175.800 -0.499 0.000 1.130 124 F CA -1.760 56.095 58.000 -0.241 0.000 0.948 124 F CB 2.921 41.825 39.000 -0.160 0.000 1.154 124 F HN -0.350 7.622 8.300 -0.547 0.000 0.439 125 V N 4.662 124.636 119.914 0.100 0.000 2.529 125 V HA -0.227 4.142 4.120 0.163 -0.151 0.292 125 V C 0.165 176.354 176.094 0.158 0.000 1.028 125 V CA 0.765 63.141 62.300 0.126 0.000 1.074 125 V CB 0.481 32.358 31.823 0.090 0.000 0.958 125 V HN 0.279 8.633 8.190 0.273 0.000 0.481 126 E N 7.726 128.030 120.200 0.173 0.000 2.404 126 E HA -0.130 4.286 4.350 0.110 0.000 0.261 126 E C -1.153 175.598 176.600 0.252 0.000 1.074 126 E CA -0.044 56.456 56.400 0.167 0.000 0.917 126 E CB 1.535 31.317 29.700 0.137 0.000 0.965 126 E HN -0.297 8.493 8.360 0.196 -0.312 0.433 127 A N 0.797 123.716 122.820 0.164 0.000 2.301 127 A HA 0.086 4.532 4.320 0.210 0.000 0.287 127 A C -0.720 176.911 177.584 0.079 0.000 1.274 127 A CA -1.103 51.023 52.037 0.149 0.000 0.865 127 A CB 1.442 20.509 19.000 0.111 0.000 1.324 127 A HN 0.052 8.272 8.150 0.117 0.000 0.508 128 Q N -3.833 115.999 119.800 0.054 0.000 2.452 128 Q HA -0.370 3.995 4.340 0.041 0.000 0.318 128 Q C -2.404 173.631 176.000 0.057 0.000 1.386 128 Q CA -0.119 55.713 55.803 0.048 0.000 0.872 128 Q CB -2.400 26.370 28.738 0.053 0.000 1.151 128 Q HN -0.231 8.077 8.270 0.063 0.000 0.417 129 P HA 0.230 4.695 4.420 -0.181 -0.153 0.276 129 P C -0.491 176.666 177.300 -0.239 0.000 1.244 129 P CA -0.684 62.210 63.100 -0.343 0.000 0.801 129 P CB 1.040 31.987 31.700 -1.255 0.000 1.006 130 K N -1.111 119.111 120.400 -0.297 0.000 2.213 130 K HA 0.324 4.448 4.320 -0.328 0.000 0.270 130 K C -1.023 175.389 176.600 -0.312 0.000 1.002 130 K CA -1.797 54.269 56.287 -0.369 0.000 0.868 130 K CB 1.469 33.643 32.500 -0.543 0.000 1.093 130 K HN -0.045 8.088 8.250 -0.194 0.000 0.454 131 I N 4.883 125.292 120.570 -0.268 0.000 2.389 131 I HA 0.703 4.858 4.170 -0.367 -0.205 0.288 131 I C -1.231 174.739 176.117 -0.244 0.000 0.999 131 I CA -1.077 60.035 61.300 -0.314 0.000 1.129 131 I CB 2.159 39.986 38.000 -0.287 0.000 1.288 131 I HN 0.419 8.496 8.210 -0.222 0.000 0.444 132 V N 6.924 126.667 119.914 -0.286 0.000 2.588 132 V HA 0.725 4.984 4.120 -0.093 -0.195 0.304 132 V C -1.427 174.518 176.094 -0.248 0.000 1.042 132 V CA -1.905 60.290 62.300 -0.175 0.000 0.877 132 V CB 3.407 35.164 31.823 -0.109 0.000 0.996 132 V HN 0.609 8.579 8.190 -0.366 0.000 0.425 133 L N 3.740 124.864 121.223 -0.165 0.000 2.325 133 L HA 0.285 4.451 4.340 -0.291 0.000 0.278 133 L C 0.614 177.297 176.870 -0.313 0.000 1.023 133 L CA -1.423 53.282 54.840 -0.225 0.000 0.811 133 L CB 1.231 43.254 42.059 -0.060 0.000 1.249 133 L HN 0.455 8.630 8.230 -0.092 0.000 0.431 134 G N -1.082 107.353 108.800 -0.608 0.000 2.254 134 G HA2 -0.364 3.006 3.960 -0.984 0.000 0.225 134 G HA3 -0.364 3.227 3.960 -0.616 0.000 0.225 134 G C -1.472 173.215 174.900 -0.355 0.000 1.003 134 G CA 0.514 45.194 45.100 -0.700 0.000 0.622 134 G HN 0.714 8.653 8.290 -0.585 0.000 0.507 135 Q N -1.891 117.676 119.800 -0.388 0.000 2.456 135 Q HA 0.281 4.456 4.340 -0.275 0.000 0.284 135 Q C -2.026 173.832 176.000 -0.236 0.000 1.061 135 Q CA -1.457 54.083 55.803 -0.437 0.000 0.799 135 Q CB 3.911 31.928 28.738 -1.202 0.000 1.445 135 Q HN -0.435 7.538 8.270 -0.384 0.067 0.411 136 E N 1.328 121.501 120.200 -0.045 0.000 2.174 136 E HA 0.075 4.448 4.350 0.039 0.000 0.282 136 E C -0.914 175.790 176.600 0.175 0.000 0.992 136 E CA -1.620 54.820 56.400 0.066 0.000 0.803 136 E CB 1.024 30.797 29.700 0.122 0.000 1.090 136 E HN 0.300 8.653 8.360 -0.012 0.000 0.396 137 Q N 6.296 126.183 119.800 0.146 0.000 2.288 137 Q HA 0.056 4.696 4.340 0.264 -0.142 0.254 137 Q C -0.270 175.758 176.000 0.047 0.000 0.932 137 Q CA 0.571 56.469 55.803 0.158 0.000 0.902 137 Q CB 1.306 30.096 28.738 0.087 0.000 1.203 137 Q HN -0.062 8.256 8.270 0.080 0.000 0.415 138 D N 1.555 121.958 120.400 0.005 0.000 2.441 138 D HA 0.384 5.237 4.640 -0.020 -0.225 0.210 138 D C -0.218 176.066 176.300 -0.026 0.000 1.102 138 D CA 0.181 54.168 54.000 -0.021 0.000 0.840 138 D CB 2.137 42.922 40.800 -0.025 0.000 0.990 138 D HN -0.273 8.088 8.370 -0.016 0.000 0.505 139 S N -1.924 113.747 115.700 -0.048 0.000 2.823 139 S HA 0.082 4.558 4.470 0.010 0.000 0.316 139 S C -1.222 173.402 174.600 0.040 0.000 1.116 139 S CA -1.812 56.378 58.200 -0.017 0.000 0.911 139 S CB 1.651 64.813 63.200 -0.062 0.000 1.276 139 S HN -0.460 7.799 8.310 -0.084 0.000 0.565 140 Y N 2.173 122.428 120.300 -0.075 0.000 2.594 140 Y HA -0.137 4.377 4.550 -0.059 0.000 0.344 140 Y C 0.356 176.207 175.900 -0.082 0.000 1.185 140 Y CA 0.944 59.004 58.100 -0.066 0.000 1.565 140 Y CB -1.315 37.114 38.460 -0.052 0.000 1.415 140 Y HN 0.155 8.536 8.280 0.168 0.000 0.488 141 G N 6.575 115.226 108.800 -0.248 0.000 2.179 141 G HA2 -0.305 3.598 3.960 -0.237 0.000 0.220 141 G HA3 -0.305 3.463 3.960 -0.320 0.000 0.220 141 G C -1.277 173.452 174.900 -0.285 0.000 0.990 141 G CA -0.184 44.755 45.100 -0.269 0.000 0.646 141 G HN 0.282 8.672 8.290 -0.161 -0.197 0.517 142 G N -1.949 106.610 108.800 -0.401 0.000 2.677 142 G HA2 0.296 3.237 3.960 -1.698 0.000 0.283 142 G HA3 0.296 3.828 3.960 -0.713 0.000 0.283 142 G C -2.301 172.156 174.900 -0.737 0.000 1.221 142 G CA 0.196 44.754 45.100 -0.902 0.000 0.851 142 G HN -0.776 7.351 8.290 -0.271 0.000 0.504 143 K N -1.385 118.632 120.400 -0.638 0.000 3.419 143 K HA -0.379 3.782 4.320 -0.264 0.000 0.272 143 K C -1.055 175.443 176.600 -0.170 0.000 0.973 143 K CA 0.593 56.693 56.287 -0.312 0.000 0.749 143 K CB -1.475 30.930 32.500 -0.158 0.000 1.403 143 K HN 0.219 8.084 8.250 -0.642 0.000 0.456 144 F N -2.065 117.843 119.950 -0.069 0.000 2.399 144 F HA 0.485 5.199 4.527 -0.063 -0.225 0.313 144 F C 1.329 177.114 175.800 -0.025 0.000 1.202 144 F CA -1.883 56.081 58.000 -0.060 0.000 1.192 144 F CB 1.157 40.107 39.000 -0.084 0.000 1.256 144 F HN -0.298 7.710 8.300 -0.487 0.000 0.558 145 D N -0.338 120.187 120.400 0.207 0.000 2.602 145 D HA 0.154 4.856 4.640 0.103 0.000 0.245 145 D C -0.360 175.998 176.300 0.097 0.000 1.325 145 D CA -1.442 52.630 54.000 0.119 0.000 0.952 145 D CB 1.548 42.405 40.800 0.095 0.000 1.317 145 D HN 0.209 8.707 8.370 0.213 0.000 0.577 146 R N 7.189 127.738 120.500 0.080 0.000 2.117 146 R HA -0.340 4.213 4.340 0.053 -0.181 0.243 146 R C 1.757 178.088 176.300 0.051 0.000 1.143 146 R CA 2.873 59.008 56.100 0.058 0.000 0.968 146 R CB 0.067 30.398 30.300 0.051 0.000 0.863 146 R HN 0.412 8.730 8.270 0.080 0.000 0.444 147 S N -2.488 113.248 115.700 0.061 0.000 2.603 147 S HA -0.091 4.410 4.470 0.051 0.000 0.229 147 S C 0.688 175.345 174.600 0.095 0.000 0.972 147 S CA 2.169 60.407 58.200 0.065 0.000 0.935 147 S CB -0.605 62.632 63.200 0.061 0.000 0.769 147 S HN -0.226 8.364 8.310 0.063 -0.242 0.536 148 Q N -0.748 119.119 119.800 0.113 0.000 2.189 148 Q HA 0.315 4.766 4.340 0.185 0.000 0.223 148 Q C -0.957 175.119 176.000 0.128 0.000 0.828 148 Q CA -1.081 54.823 55.803 0.168 0.000 0.967 148 Q CB 2.097 30.975 28.738 0.233 0.000 1.139 148 Q HN -0.220 7.940 8.270 0.098 0.169 0.497 149 S N 1.083 116.817 115.700 0.057 0.000 2.579 149 S HA -0.026 4.539 4.470 -0.030 -0.113 0.275 149 S C -0.542 174.045 174.600 -0.022 0.000 1.345 149 S CA -0.183 58.012 58.200 -0.008 0.000 1.031 149 S CB 0.720 63.900 63.200 -0.034 0.000 0.892 149 S HN -0.618 7.615 8.310 0.050 0.107 0.529 150 F N 3.365 123.161 119.950 -0.257 0.000 2.410 150 F HA 0.197 4.453 4.527 -0.452 0.000 0.349 150 F C -1.286 174.306 175.800 -0.346 0.000 1.117 150 F CA -0.199 57.567 58.000 -0.391 0.000 1.104 150 F CB 1.841 40.560 39.000 -0.469 0.000 1.122 150 F HN -0.475 7.684 8.300 -0.046 0.113 0.483 151 V N 6.820 126.094 119.914 -1.066 0.000 2.409 151 V HA 0.258 4.253 4.120 -0.422 -0.128 0.291 151 V C -1.371 174.089 176.094 -1.057 0.000 1.020 151 V CA -1.149 60.717 62.300 -0.722 0.000 0.848 151 V CB 1.809 33.383 31.823 -0.415 0.000 0.990 151 V HN 0.041 7.485 8.190 -1.245 0.000 0.430 152 G N 6.468 114.904 108.800 -0.606 0.000 2.291 152 G HA2 -0.021 3.757 3.960 -0.304 0.000 0.249 152 G HA3 -0.021 3.694 3.960 -0.613 -0.123 0.249 152 G C -3.024 172.013 174.900 0.227 0.000 1.340 152 G CA 0.138 45.006 45.100 -0.387 0.000 1.017 152 G HN 0.118 8.249 8.290 -0.265 0.000 0.470 153 E N -0.122 120.334 120.200 0.427 0.000 2.248 153 E HA 0.974 5.924 4.350 0.641 -0.215 0.267 153 E C -1.392 175.665 176.600 0.762 0.000 0.877 153 E CA -1.686 55.093 56.400 0.632 0.000 0.759 153 E CB 4.154 34.228 29.700 0.624 0.000 1.182 153 E HN -0.100 8.449 8.360 0.315 0.000 0.418 154 I N 2.165 123.145 120.570 0.682 0.000 2.533 154 I HA 0.764 5.419 4.170 0.476 -0.199 0.290 154 I C -1.652 174.626 176.117 0.268 0.000 1.056 154 I CA -1.687 59.889 61.300 0.459 0.000 1.057 154 I CB 3.842 42.007 38.000 0.276 0.000 1.240 154 I HN 0.447 9.074 8.210 0.695 0.000 0.423 155 G N 1.829 110.630 108.800 0.001 0.000 2.727 155 G HA2 0.539 3.838 3.960 -1.102 0.000 0.289 155 G HA3 0.539 4.264 3.960 -0.392 0.000 0.289 155 G C -2.092 172.203 174.900 -1.009 0.000 1.418 155 G CA -0.969 43.739 45.100 -0.654 0.000 0.818 155 G HN 0.319 8.696 8.290 0.146 0.000 0.486 156 D N -3.681 115.645 120.400 -1.790 0.000 2.689 156 D HA -0.451 3.540 4.640 -1.081 0.000 0.237 156 D C -1.241 174.702 176.300 -0.595 0.000 1.148 156 D CA 1.411 54.834 54.000 -0.962 0.000 0.656 156 D CB -0.497 40.200 40.800 -0.172 0.000 1.050 156 D HN 0.441 7.265 8.370 -2.577 0.000 0.426 157 L N -1.750 118.890 121.223 -0.973 0.000 2.276 157 L HA 0.421 4.981 4.340 -0.005 -0.224 0.286 157 L C -2.090 174.550 176.870 -0.383 0.000 1.061 157 L CA -0.456 54.220 54.840 -0.273 0.000 0.807 157 L CB 1.474 43.500 42.059 -0.055 0.000 1.177 157 L HN -0.599 6.621 8.230 -1.682 0.000 0.429 158 Y N 3.080 123.398 120.300 0.031 0.000 2.524 158 Y HA 0.417 5.018 4.550 -0.200 -0.172 0.347 158 Y C -1.665 174.061 175.900 -0.290 0.000 1.005 158 Y CA -1.796 56.156 58.100 -0.247 0.000 1.025 158 Y CB 4.669 42.799 38.460 -0.549 0.000 1.275 158 Y HN 0.518 8.939 8.280 0.234 0.000 0.460 159 M N 1.000 120.447 119.600 -0.256 0.000 2.324 159 M HA 0.778 5.582 4.480 0.192 -0.209 0.288 159 M C -2.354 173.894 176.300 -0.088 0.000 1.097 159 M CA -0.637 54.651 55.300 -0.020 0.000 0.928 159 M CB 4.386 37.041 32.600 0.093 0.000 1.648 159 M HN 0.453 8.557 8.290 -0.309 0.000 0.460 160 W N 3.020 124.436 121.300 0.194 0.000 2.689 160 W HA 0.670 5.581 4.660 0.149 -0.162 0.340 160 W C 0.125 176.756 176.519 0.187 0.000 1.060 160 W CA -1.665 55.775 57.345 0.159 0.000 1.218 160 W CB 3.650 33.174 29.460 0.106 0.000 1.410 160 W HN 0.881 9.482 8.180 0.701 0.000 0.528 161 D N -2.795 117.830 120.400 0.374 0.000 2.519 161 D HA -0.023 4.926 4.640 0.341 -0.104 0.238 161 D C -1.314 175.125 176.300 0.231 0.000 1.192 161 D CA -0.079 54.099 54.000 0.297 0.000 0.835 161 D CB -0.776 40.159 40.800 0.226 0.000 0.975 161 D HN -0.078 8.752 8.370 0.336 -0.259 0.490 162 S N -5.664 110.169 115.700 0.222 0.000 2.638 162 S HA 0.159 4.661 4.470 0.053 0.000 0.274 162 S C -1.493 173.107 174.600 0.001 0.000 1.157 162 S CA -1.877 56.371 58.200 0.080 0.000 0.826 162 S CB 3.251 66.478 63.200 0.045 0.000 1.139 162 S HN -0.906 7.496 8.310 0.301 0.088 0.474 163 V N 2.818 122.678 119.914 -0.091 0.000 2.368 163 V HA 0.257 4.279 4.120 -0.165 0.000 0.266 163 V C 0.158 176.129 176.094 -0.206 0.000 1.045 163 V CA -0.661 61.545 62.300 -0.157 0.000 0.899 163 V CB 0.631 32.353 31.823 -0.168 0.000 1.006 163 V HN 0.275 8.411 8.190 -0.090 0.000 0.470 164 L N 9.148 130.191 121.223 -0.301 0.000 2.416 164 L HA 0.229 4.334 4.340 -0.391 0.000 0.272 164 L C -1.206 175.467 176.870 -0.328 0.000 1.161 164 L CA -1.673 52.924 54.840 -0.406 0.000 0.845 164 L CB -0.514 41.169 42.059 -0.627 0.000 1.119 164 L HN -0.154 7.893 8.230 -0.306 0.000 0.464 165 P HA 0.299 4.613 4.420 -0.177 0.000 0.274 165 P C -1.416 175.678 177.300 -0.342 0.000 1.246 165 P CA -2.269 60.691 63.100 -0.233 0.000 0.795 165 P CB -0.405 31.192 31.700 -0.172 0.000 1.006 166 P HA -0.308 3.569 4.420 -0.904 0.000 0.216 166 P C 1.271 178.338 177.300 -0.389 0.000 1.153 166 P CA 3.028 65.849 63.100 -0.466 0.000 0.858 166 P CB -0.211 31.424 31.700 -0.109 0.000 0.789 167 E N -4.080 115.978 120.200 -0.237 0.000 2.153 167 E HA -0.303 3.951 4.350 -0.160 0.000 0.194 167 E C 2.197 178.661 176.600 -0.226 0.000 0.988 167 E CA 3.397 59.686 56.400 -0.186 0.000 0.811 167 E CB -1.331 28.294 29.700 -0.125 0.000 0.746 167 E HN 0.721 8.964 8.360 -0.195 0.000 0.466 168 N N -0.361 118.164 118.700 -0.293 0.000 2.300 168 N HA -0.131 4.455 4.740 -0.257 0.000 0.179 168 N C 2.174 177.451 175.510 -0.388 0.000 1.016 168 N CA 2.424 55.278 53.050 -0.328 0.000 0.876 168 N CB 0.436 38.682 38.487 -0.400 0.000 0.979 168 N HN -0.664 7.518 8.380 -0.310 0.012 0.432 169 I N 1.337 121.612 120.570 -0.491 0.000 2.252 169 I HA -0.397 3.528 4.170 -0.407 0.000 0.245 169 I C 1.607 177.553 176.117 -0.285 0.000 1.102 169 I CA 4.311 65.316 61.300 -0.493 0.000 1.385 169 I CB -0.049 37.394 38.000 -0.929 0.000 1.064 169 I HN -0.452 7.427 8.210 -0.552 0.000 0.414 170 L N -0.805 120.261 121.223 -0.262 0.000 2.083 170 L HA -0.414 3.935 4.340 0.016 0.000 0.209 170 L C 2.250 179.077 176.870 -0.071 0.000 1.083 170 L CA 3.550 58.341 54.840 -0.081 0.000 0.752 170 L CB -1.152 40.874 42.059 -0.056 0.000 0.899 170 L HN -0.093 7.938 8.230 -0.331 0.000 0.433 171 S N -0.158 115.467 115.700 -0.125 0.000 2.370 171 S HA -0.362 4.046 4.470 -0.104 0.000 0.226 171 S C 2.008 176.539 174.600 -0.115 0.000 1.033 171 S CA 3.459 61.589 58.200 -0.115 0.000 1.011 171 S CB -0.709 62.419 63.200 -0.120 0.000 0.852 171 S HN -0.422 7.793 8.310 -0.158 0.000 0.457 172 A N 1.012 123.770 122.820 -0.104 0.000 1.877 172 A HA -0.202 4.086 4.320 -0.053 0.000 0.216 172 A C 2.413 179.886 177.584 -0.184 0.000 1.186 172 A CA 2.788 54.798 52.037 -0.044 0.000 0.620 172 A CB -0.818 18.256 19.000 0.124 0.000 0.822 172 A HN -0.550 7.524 8.150 -0.127 0.000 0.443 173 Y N 0.484 120.504 120.300 -0.466 0.000 2.151 173 Y HA -0.401 3.173 4.550 -1.625 0.000 0.284 173 Y C 2.121 177.782 175.900 -0.399 0.000 1.166 173 Y CA 2.425 60.058 58.100 -0.779 0.000 1.163 173 Y CB -0.181 38.025 38.460 -0.425 0.000 0.974 173 Y HN -0.168 8.059 8.280 -0.088 0.000 0.511 174 Q N -1.880 117.697 119.800 -0.372 0.000 2.451 174 Q HA -0.130 3.897 4.340 -0.522 0.000 0.206 174 Q C 0.413 176.264 176.000 -0.248 0.000 0.947 174 Q CA 1.099 56.682 55.803 -0.367 0.000 0.937 174 Q CB 0.413 29.021 28.738 -0.217 0.000 1.025 174 Q HN -0.126 8.002 8.270 -0.220 0.010 0.511 175 G N -1.135 107.546 108.800 -0.198 0.000 2.144 175 G HA2 -0.269 3.637 3.960 -0.089 0.000 0.218 175 G HA3 -0.269 3.620 3.960 -0.118 0.000 0.218 175 G C -0.231 174.623 174.900 -0.077 0.000 0.988 175 G CA -0.112 44.917 45.100 -0.117 0.000 0.659 175 G HN -0.348 7.659 8.290 -0.205 0.160 0.522 176 T N -0.586 113.914 114.554 -0.091 0.000 3.444 176 T HA 0.426 4.744 4.350 -0.054 0.000 0.265 176 T C -2.296 172.354 174.700 -0.083 0.000 1.537 176 T CA -3.468 58.589 62.100 -0.071 0.000 1.530 176 T CB 1.007 69.839 68.868 -0.061 0.000 0.958 176 T HN -0.337 7.838 8.240 -0.109 0.000 0.684 177 P HA 0.002 4.385 4.420 -0.061 0.000 0.269 177 P C -0.064 177.225 177.300 -0.018 0.000 1.215 177 P CA -0.636 62.399 63.100 -0.109 0.000 0.780 177 P CB 0.882 32.345 31.700 -0.396 0.000 0.898 178 L N 1.676 122.959 121.223 0.100 0.000 2.467 178 L HA 0.018 4.411 4.340 0.088 0.000 0.270 178 L C -1.259 175.794 176.870 0.306 0.000 1.205 178 L CA -1.196 53.746 54.840 0.170 0.000 0.828 178 L CB -0.968 41.167 42.059 0.127 0.000 1.101 178 L HN 0.177 8.455 8.230 0.080 0.000 0.479 179 P HA -0.118 4.364 4.420 0.104 0.000 0.264 179 P C -1.235 176.183 177.300 0.197 0.000 1.183 179 P CA 0.374 63.572 63.100 0.163 0.000 0.763 179 P CB 0.141 31.915 31.700 0.123 0.000 0.807 180 A N 4.520 127.283 122.820 -0.094 0.000 2.331 180 A HA 0.307 4.196 4.320 -0.719 0.000 0.320 180 A C -1.541 175.923 177.584 -0.200 0.000 1.138 180 A CA -1.548 50.167 52.037 -0.537 0.000 0.790 180 A CB 2.664 21.020 19.000 -1.073 0.000 1.206 180 A HN -0.367 8.001 8.150 -0.046 -0.246 0.470 181 N N 0.978 119.617 118.700 -0.102 0.000 2.236 181 N HA 0.015 4.756 4.740 0.002 0.000 0.196 181 N C -0.200 175.329 175.510 0.032 0.000 1.114 181 N CA 0.646 53.703 53.050 0.012 0.000 0.859 181 N CB 0.246 38.783 38.487 0.083 0.000 0.982 181 N HN 0.050 8.373 8.380 -0.096 0.000 0.493 182 I N -2.121 118.460 120.570 0.018 0.000 2.899 182 I HA -0.023 4.199 4.170 0.086 0.000 0.257 182 I C -1.555 174.595 176.117 0.055 0.000 1.115 182 I CA 1.819 63.162 61.300 0.072 0.000 1.451 182 I CB 1.928 40.008 38.000 0.134 0.000 1.251 182 I HN -0.390 7.801 8.210 -0.032 0.000 0.456 183 L N -4.573 116.657 121.223 0.013 0.000 2.431 183 L HA 0.239 4.604 4.340 0.043 0.000 0.266 183 L C -2.618 174.221 176.870 -0.051 0.000 0.978 183 L CA -0.833 54.023 54.840 0.028 0.000 0.822 183 L CB 3.903 46.031 42.059 0.115 0.000 1.310 183 L HN -0.727 7.481 8.230 -0.037 0.000 0.409 184 D N 1.578 121.957 120.400 -0.036 0.000 2.855 184 D HA 0.243 4.842 4.640 -0.069 0.000 0.241 184 D C -0.144 176.109 176.300 -0.079 0.000 1.277 184 D CA -0.491 53.483 54.000 -0.044 0.000 0.918 184 D CB 2.686 43.505 40.800 0.032 0.000 1.462 184 D HN 0.213 8.575 8.370 -0.014 0.000 0.559 185 W N 6.478 127.409 121.300 -0.615 0.000 2.364 185 W HA -0.396 4.066 4.660 -0.330 0.000 0.281 185 W C 0.188 176.609 176.519 -0.164 0.000 1.219 185 W CA 3.153 60.231 57.345 -0.446 0.000 1.220 185 W CB 0.903 29.940 29.460 -0.706 0.000 1.127 185 W HN 0.269 7.953 8.180 -0.827 0.000 0.556 186 Q N -5.509 114.320 119.800 0.049 0.000 2.403 186 Q HA 0.004 4.521 4.340 -0.016 -0.187 0.203 186 Q C -0.664 175.324 176.000 -0.020 0.000 0.932 186 Q CA 0.697 56.518 55.803 0.030 0.000 0.945 186 Q CB 0.492 29.309 28.738 0.132 0.000 1.045 186 Q HN -0.614 7.990 8.270 0.139 -0.250 0.511 187 A N -0.855 121.920 122.820 -0.074 0.000 3.474 187 A HA 0.162 4.551 4.320 0.002 -0.067 0.251 187 A C -2.070 175.448 177.584 -0.110 0.000 1.062 187 A CA -0.259 51.679 52.037 -0.166 0.000 0.945 187 A CB 1.307 20.011 19.000 -0.494 0.000 1.296 187 A HN -0.338 7.607 8.150 -0.075 0.160 0.592 188 L N 0.518 121.737 121.223 -0.008 0.000 2.289 188 L HA 0.237 4.607 4.340 0.049 0.000 0.285 188 L C -1.588 175.385 176.870 0.171 0.000 1.049 188 L CA -1.004 53.873 54.840 0.063 0.000 0.804 188 L CB 2.991 45.038 42.059 -0.020 0.000 1.195 188 L HN 0.038 8.258 8.230 -0.018 0.000 0.428 189 N N 6.110 124.894 118.700 0.141 0.000 2.444 189 N HA 0.228 4.952 4.740 -0.025 0.000 0.262 189 N C -1.750 173.828 175.510 0.115 0.000 0.974 189 N CA -0.504 52.583 53.050 0.061 0.000 0.933 189 N CB 1.668 40.181 38.487 0.043 0.000 1.137 189 N HN 0.408 8.861 8.380 0.122 0.000 0.498 190 Y N -0.549 119.765 120.300 0.024 0.000 2.615 190 Y HA 0.867 5.588 4.550 0.009 -0.166 0.341 190 Y C -1.559 174.329 175.900 -0.019 0.000 1.089 190 Y CA -2.401 55.709 58.100 0.018 0.000 1.049 190 Y CB 2.973 41.486 38.460 0.090 0.000 1.296 190 Y HN 0.160 8.181 8.280 -0.431 0.000 0.470 191 E N 0.602 120.869 120.200 0.110 0.000 2.241 191 E HA 0.379 4.703 4.350 -0.044 0.000 0.263 191 E C -1.306 175.300 176.600 0.010 0.000 0.882 191 E CA -1.390 55.017 56.400 0.012 0.000 0.769 191 E CB 3.362 33.037 29.700 -0.041 0.000 1.185 191 E HN 0.170 8.615 8.360 0.141 0.000 0.415 192 I N 4.132 124.719 120.570 0.027 0.000 2.441 192 I HA -0.049 4.007 4.170 -0.190 0.000 0.287 192 I C -0.055 175.969 176.117 -0.156 0.000 1.049 192 I CA 0.504 61.747 61.300 -0.095 0.000 1.381 192 I CB 0.699 38.687 38.000 -0.020 0.000 1.409 192 I HN 0.355 8.612 8.210 0.077 0.000 0.523 193 R N 7.042 127.367 120.500 -0.293 0.000 2.513 193 R HA 0.374 4.621 4.340 -0.154 0.000 0.301 193 R C -0.560 175.657 176.300 -0.138 0.000 0.968 193 R CA -2.473 53.460 56.100 -0.279 0.000 0.872 193 R CB 1.890 31.828 30.300 -0.604 0.000 1.177 193 R HN 0.469 8.517 8.270 -0.370 0.000 0.444 194 G N 3.557 112.349 108.800 -0.014 0.000 2.553 194 G HA2 -0.394 3.612 3.960 0.076 0.000 0.242 194 G HA3 -0.394 3.626 3.960 0.100 0.000 0.242 194 G C -1.326 173.644 174.900 0.117 0.000 1.277 194 G CA -0.126 45.017 45.100 0.071 0.000 0.910 194 G HN 0.264 8.549 8.290 -0.009 0.000 0.576 195 Y N 5.984 126.280 120.300 -0.006 0.000 2.627 195 Y HA 0.107 4.641 4.550 -0.026 0.000 0.347 195 Y C -1.687 174.177 175.900 -0.059 0.000 1.099 195 Y CA -1.808 56.281 58.100 -0.019 0.000 1.408 195 Y CB -0.804 37.660 38.460 0.005 0.000 1.247 195 Y HN -0.350 8.401 8.280 0.258 -0.316 0.506 196 V N 6.465 126.310 119.914 -0.115 0.000 2.686 196 V HA 0.654 4.655 4.120 -0.508 -0.185 0.306 196 V C -1.483 174.487 176.094 -0.208 0.000 1.065 196 V CA -1.846 60.239 62.300 -0.359 0.000 0.894 196 V CB 3.703 35.227 31.823 -0.499 0.000 1.004 196 V HN -0.648 7.538 8.190 -0.007 0.000 0.424 197 I N 6.274 126.710 120.570 -0.223 0.000 2.465 197 I HA 0.307 4.465 4.170 -0.021 0.000 0.291 197 I C -1.127 174.980 176.117 -0.017 0.000 1.014 197 I CA -2.542 58.711 61.300 -0.077 0.000 1.093 197 I CB 3.440 41.388 38.000 -0.086 0.000 1.267 197 I HN 0.371 8.397 8.210 -0.308 0.000 0.431 198 I N 6.806 127.389 120.570 0.022 0.000 2.371 198 I HA 0.383 4.760 4.170 -0.007 -0.212 0.290 198 I C -0.178 175.938 176.117 -0.002 0.000 1.028 198 I CA -0.096 61.202 61.300 -0.004 0.000 1.345 198 I CB 1.084 39.059 38.000 -0.043 0.000 1.407 198 I HN 0.260 8.488 8.210 0.030 0.000 0.501 199 K N 7.324 127.729 120.400 0.009 0.000 2.444 199 K HA 0.606 4.936 4.320 0.017 0.000 0.252 199 K C -2.661 173.950 176.600 0.018 0.000 0.993 199 K CA -3.924 52.379 56.287 0.025 0.000 0.847 199 K CB 1.775 34.309 32.500 0.057 0.000 1.340 199 K HN 0.031 8.290 8.250 0.014 0.000 0.446 200 P HA 0.040 4.606 4.420 -0.017 -0.156 0.269 200 P C -1.100 176.187 177.300 -0.023 0.000 1.209 200 P CA -0.004 63.092 63.100 -0.007 0.000 0.776 200 P CB 0.516 32.214 31.700 -0.003 0.000 0.876 201 L N 2.600 123.762 121.223 -0.103 0.000 2.385 201 L HA -0.009 4.123 4.340 -0.348 0.000 0.281 201 L C 0.263 176.977 176.870 -0.260 0.000 1.106 201 L CA 0.114 54.775 54.840 -0.298 0.000 0.856 201 L CB 0.445 42.267 42.059 -0.396 0.000 1.186 201 L HN -0.124 7.944 8.230 -0.092 0.107 0.453 202 V N 1.900 121.698 119.914 -0.193 0.000 3.528 202 V HA 0.227 4.316 4.120 -0.050 0.000 0.294 202 V C 0.190 176.318 176.094 0.056 0.000 1.404 202 V CA 0.437 62.724 62.300 -0.022 0.000 1.065 202 V CB 0.685 32.569 31.823 0.102 0.000 0.904 202 V HN 0.197 8.291 8.190 -0.159 0.000 0.435 203 W N -2.041 119.276 121.300 0.029 0.000 3.127 203 W HA 0.318 4.957 4.660 -0.034 0.000 0.344 203 W C -0.819 175.659 176.519 -0.067 0.000 1.151 203 W CA -0.591 56.732 57.345 -0.036 0.000 1.765 203 W CB 0.093 29.493 29.460 -0.101 0.000 1.085 203 W HN -0.242 7.605 8.180 -0.555 0.000 0.596 204 V N 0.000 119.800 119.914 -0.190 0.000 2.409 204 V HA 0.000 4.107 4.120 -0.022 0.000 0.244 204 V CA 0.000 62.221 62.300 -0.132 0.000 1.235 204 V CB 0.000 31.676 31.823 -0.246 0.000 1.184 204 V HN 0.000 7.898 8.190 -0.486 0.000 0.556