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 3ec4_1_B DATA FIRST_RESID 4 DATA SEQUENCE DHPLDRPVWN SLGGPQSELD VASGNLRRLD PAYGPFAAAA PGAEAGLASL DATA SEQUENCE LQGDADEIWL VEPEPVAPPP GTRVIRVAPL LQXIADGPVP SFDDPGIVAL DATA SEQUENCE GETDVPEXTA LALATEPXPW ASGTWRYGQF YGVRIDGRLA AXAGERXRPA DATA SEQUENCE PNLAEVSGVC TWPEYRGRGL AARLIRKVIA GXAARGEVPY LHSYASNASA DATA SEQUENCE IRLYESLGFR ARRAXTATLL GKST VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.333 176.300 0.055 0.000 2.045 4 D CA 0.000 54.027 54.000 0.045 0.000 0.868 4 D CB 0.000 40.824 40.800 0.040 0.000 0.688 5 H N 0.667 119.727 119.070 -0.016 0.000 2.562 5 H HA 0.388 4.944 4.556 -0.000 0.000 0.352 5 H C -1.701 173.606 175.328 -0.035 0.000 1.125 5 H CA -1.328 54.701 56.048 -0.032 0.000 1.379 5 H CB 2.001 31.737 29.762 -0.044 0.000 1.464 5 H HN 0.198 8.478 8.280 -0.000 0.000 0.563 6 P HA -0.116 4.304 4.420 -0.000 0.000 0.219 6 P C 1.496 178.833 177.300 0.061 0.000 1.146 6 P CA 1.057 64.139 63.100 -0.029 0.000 0.808 6 P CB 0.234 31.846 31.700 -0.146 0.000 0.779 7 L N -1.139 120.222 121.223 0.230 0.000 2.478 7 L HA -0.056 4.284 4.340 -0.001 0.000 0.223 7 L C 1.496 178.375 176.870 0.014 0.000 1.140 7 L CA 0.785 55.602 54.840 -0.037 0.000 0.842 7 L CB -0.694 41.229 42.059 -0.227 0.000 0.953 7 L HN -0.045 8.185 8.230 -0.000 0.000 0.452 8 D N 0.980 121.423 120.400 0.072 0.000 2.218 8 D HA -0.080 4.559 4.640 -0.001 0.000 0.204 8 D C 0.890 177.228 176.300 0.063 0.000 0.976 8 D CA 1.158 55.192 54.000 0.056 0.000 0.853 8 D CB 0.141 40.977 40.800 0.061 0.000 0.939 8 D HN 0.251 8.621 8.370 -0.000 0.000 0.481 9 R N 0.116 120.668 120.500 0.087 0.000 2.687 9 R HA 0.149 4.488 4.340 -0.001 0.000 0.264 9 R C -2.036 174.350 176.300 0.142 0.000 1.715 9 R CA -0.963 55.209 56.100 0.122 0.000 1.633 9 R CB 1.899 32.293 30.300 0.157 0.000 1.353 9 R HN 0.020 8.290 8.270 -0.000 0.000 0.653 10 P HA -0.104 4.316 4.420 -0.000 0.000 0.219 10 P C 1.340 178.685 177.300 0.075 0.000 1.150 10 P CA 0.842 63.989 63.100 0.077 0.000 0.814 10 P CB 0.452 32.236 31.700 0.140 0.000 0.787 11 V N -0.126 119.840 119.914 0.087 0.000 2.283 11 V HA -0.162 3.957 4.120 -0.001 0.000 0.243 11 V C 2.511 178.704 176.094 0.164 0.000 1.039 11 V CA 1.613 63.972 62.300 0.098 0.000 1.016 11 V CB -1.574 30.337 31.823 0.147 0.000 0.650 11 V HN 0.172 8.362 8.190 -0.000 0.000 0.449 12 W N 1.490 122.805 121.300 0.026 0.000 2.302 12 W HA -0.274 4.386 4.660 -0.001 0.000 0.320 12 W C 2.333 178.855 176.519 0.006 0.000 1.241 12 W CA 2.347 59.704 57.345 0.019 0.000 1.264 12 W CB -0.375 29.095 29.460 0.017 0.000 1.154 12 W HN 0.341 8.521 8.180 -0.000 0.000 0.483 13 N N 0.307 119.057 118.700 0.083 0.000 2.270 13 N HA -0.160 4.579 4.740 -0.001 0.000 0.181 13 N C 1.965 177.421 175.510 -0.090 0.000 1.016 13 N CA 2.085 55.108 53.050 -0.045 0.000 0.870 13 N CB -0.828 37.686 38.487 0.045 0.000 0.979 13 N HN 0.236 8.616 8.380 -0.000 0.000 0.431 14 S N 0.772 116.448 115.700 -0.040 0.000 2.368 14 S HA 0.019 4.489 4.470 -0.001 0.000 0.224 14 S C 2.046 176.598 174.600 -0.081 0.000 1.029 14 S CA 0.547 58.727 58.200 -0.033 0.000 0.988 14 S CB -0.617 62.598 63.200 0.025 0.000 0.838 14 S HN 0.203 8.513 8.310 -0.000 0.000 0.462 15 L N 1.074 122.230 121.223 -0.111 0.000 2.313 15 L HA 0.163 4.503 4.340 -0.001 0.000 0.214 15 L C 2.664 179.389 176.870 -0.241 0.000 1.119 15 L CA 0.868 55.616 54.840 -0.154 0.000 0.809 15 L CB -0.640 41.348 42.059 -0.118 0.000 0.933 15 L HN 0.560 8.790 8.230 -0.000 0.000 0.449 16 G N -1.062 107.539 108.800 -0.333 0.000 2.838 16 G HA2 0.213 4.173 3.960 -0.001 0.000 0.210 16 G HA3 0.213 4.173 3.960 -0.001 0.000 0.210 16 G C 0.899 175.664 174.900 -0.225 0.000 1.153 16 G CA 0.596 45.475 45.100 -0.369 0.000 0.778 16 G HN 0.444 8.734 8.290 -0.000 0.000 0.539 17 G N 0.409 109.108 108.800 -0.167 0.000 2.844 17 G HA2 0.386 4.346 3.960 -0.001 0.000 0.204 17 G HA3 0.386 4.346 3.960 -0.001 0.000 0.204 17 G C -1.379 173.469 174.900 -0.086 0.000 1.815 17 G CA 0.059 45.092 45.100 -0.112 0.000 0.739 17 G HN -0.015 8.275 8.290 -0.000 0.000 0.807 18 P HA -0.006 4.414 4.420 -0.000 0.000 0.218 18 P C 0.804 178.074 177.300 -0.051 0.000 1.148 18 P CA 1.167 64.241 63.100 -0.043 0.000 0.822 18 P CB 0.134 31.823 31.700 -0.019 0.000 0.784 19 Q N -1.354 118.408 119.800 -0.064 0.000 2.211 19 Q HA 0.146 4.486 4.340 -0.001 0.000 0.301 19 Q C 1.274 177.191 176.000 -0.138 0.000 0.884 19 Q CA -0.145 55.601 55.803 -0.095 0.000 1.115 19 Q CB 0.093 28.792 28.738 -0.065 0.000 1.217 19 Q HN 0.196 8.466 8.270 -0.000 0.000 0.451 20 S N -0.719 114.903 115.700 -0.129 0.000 2.419 20 S HA -0.232 4.238 4.470 -0.001 0.000 0.235 20 S C 1.847 176.360 174.600 -0.146 0.000 1.019 20 S CA 1.436 59.550 58.200 -0.142 0.000 0.982 20 S CB -0.267 62.856 63.200 -0.129 0.000 0.789 20 S HN 0.489 8.799 8.310 -0.000 0.000 0.490 21 E N 1.716 121.827 120.200 -0.147 0.000 2.333 21 E HA 0.027 4.377 4.350 -0.001 0.000 0.198 21 E C 1.807 178.273 176.600 -0.223 0.000 1.007 21 E CA 1.067 57.373 56.400 -0.157 0.000 0.845 21 E CB -1.296 28.320 29.700 -0.140 0.000 0.766 21 E HN 0.860 9.220 8.360 -0.000 0.000 0.507 22 L N 0.445 121.491 121.223 -0.296 0.000 2.607 22 L HA 0.326 4.665 4.340 -0.001 0.000 0.228 22 L C 0.918 177.629 176.870 -0.266 0.000 1.123 22 L CA -0.122 54.464 54.840 -0.423 0.000 0.890 22 L CB -0.160 41.503 42.059 -0.660 0.000 1.103 22 L HN 0.114 8.344 8.230 -0.000 0.000 0.468 23 D N 0.976 121.267 120.400 -0.182 0.000 2.343 23 D HA 0.118 4.757 4.640 -0.001 0.000 0.255 23 D C 0.861 177.105 176.300 -0.093 0.000 1.187 23 D CA 0.010 53.938 54.000 -0.120 0.000 0.875 23 D CB 1.864 42.590 40.800 -0.122 0.000 1.136 23 D HN -0.012 8.358 8.370 -0.000 0.000 0.469 24 V N 1.578 121.456 119.914 -0.061 0.000 3.483 24 V HA 0.594 4.713 4.120 -0.001 0.000 0.301 24 V C 0.702 176.784 176.094 -0.020 0.000 1.389 24 V CA 0.240 62.516 62.300 -0.041 0.000 1.101 24 V CB -0.341 31.465 31.823 -0.029 0.000 0.971 24 V HN 0.475 8.665 8.190 -0.000 0.000 0.434 25 A N 1.308 124.119 122.820 -0.015 0.000 2.580 25 A HA 0.975 5.295 4.320 -0.001 0.000 0.275 25 A C 0.284 177.865 177.584 -0.005 0.000 1.321 25 A CA 0.168 52.207 52.037 0.004 0.000 0.924 25 A CB 1.244 20.262 19.000 0.030 0.000 1.512 25 A HN 1.228 9.378 8.150 -0.000 0.000 0.492 26 S N -3.383 112.324 115.700 0.012 0.000 2.596 26 S HA 0.694 5.164 4.470 -0.001 0.000 0.270 26 S C 0.517 175.135 174.600 0.031 0.000 1.155 26 S CA 0.476 58.680 58.200 0.007 0.000 0.827 26 S CB 0.781 63.984 63.200 0.005 0.000 1.130 26 S HN 2.730 11.040 8.310 -0.000 0.000 0.467 27 G N 2.513 111.329 108.800 0.027 0.000 2.596 27 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.304 27 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.304 27 G C 0.246 175.210 174.900 0.106 0.000 1.189 27 G CA 0.667 45.798 45.100 0.052 0.000 0.986 27 G HN 0.915 9.205 8.290 -0.000 0.000 0.548 28 N N 1.009 119.797 118.700 0.146 0.000 2.251 28 N HA 0.373 5.112 4.740 -0.001 0.000 0.217 28 N C 0.019 175.727 175.510 0.330 0.000 1.124 28 N CA 0.266 53.477 53.050 0.268 0.000 0.843 28 N CB -0.003 38.587 38.487 0.171 0.000 1.024 28 N HN 0.465 8.845 8.380 -0.000 0.000 0.501 29 L N 0.406 121.774 121.223 0.242 0.000 2.346 29 L HA 0.533 4.873 4.340 -0.001 0.000 0.276 29 L C 0.083 177.071 176.870 0.198 0.000 1.006 29 L CA -0.740 54.248 54.840 0.247 0.000 0.817 29 L CB 2.223 44.363 42.059 0.134 0.000 1.272 29 L HN -0.268 7.962 8.230 -0.000 0.000 0.421 30 R N 2.059 122.702 120.500 0.238 0.000 2.513 30 R HA 0.629 4.969 4.340 -0.001 0.000 0.301 30 R C -1.107 175.263 176.300 0.117 0.000 0.968 30 R CA -0.960 55.194 56.100 0.091 0.000 0.872 30 R CB 2.526 32.806 30.300 -0.033 0.000 1.177 30 R HN 0.375 8.645 8.270 -0.000 0.000 0.444 31 R N 2.995 123.534 120.500 0.064 0.000 2.538 31 R HA 0.277 4.616 4.340 -0.001 0.000 0.292 31 R C -1.511 174.817 176.300 0.046 0.000 1.008 31 R CA -0.828 55.319 56.100 0.079 0.000 0.896 31 R CB 0.984 31.320 30.300 0.060 0.000 1.187 31 R HN 0.472 8.742 8.270 -0.000 0.000 0.440 32 L N 3.028 124.306 121.223 0.091 0.000 2.485 32 L HA 0.199 4.539 4.340 -0.001 0.000 0.275 32 L C -0.175 176.700 176.870 0.009 0.000 1.207 32 L CA 0.510 55.378 54.840 0.046 0.000 0.855 32 L CB 0.398 42.565 42.059 0.180 0.000 1.114 32 L HN 0.759 8.989 8.230 -0.000 0.000 0.485 33 D N 6.235 126.591 120.400 -0.072 0.000 2.472 33 D HA -0.004 4.635 4.640 -0.001 0.000 0.248 33 D C -1.864 174.480 176.300 0.074 0.000 1.174 33 D CA -1.299 52.692 54.000 -0.014 0.000 0.883 33 D CB 1.354 42.119 40.800 -0.058 0.000 1.149 33 D HN 0.399 8.769 8.370 -0.000 0.000 0.488 34 P HA -0.023 4.397 4.420 -0.000 0.000 0.226 34 P C 0.915 178.239 177.300 0.040 0.000 1.153 34 P CA 0.921 64.052 63.100 0.052 0.000 0.777 34 P CB 0.109 31.829 31.700 0.034 0.000 0.794 35 A N -1.465 121.377 122.820 0.036 0.000 1.978 35 A HA -0.210 4.110 4.320 -0.001 0.000 0.220 35 A C 1.714 179.187 177.584 -0.185 0.000 1.170 35 A CA 1.494 53.493 52.037 -0.063 0.000 0.636 35 A CB -1.568 17.375 19.000 -0.095 0.000 0.810 35 A HN 0.166 8.316 8.150 -0.000 0.000 0.448 36 Y N -1.180 119.003 120.300 -0.195 0.000 2.389 36 Y HA 0.397 4.947 4.550 -0.001 0.000 0.292 36 Y C 1.526 177.400 175.900 -0.044 0.000 1.117 36 Y CA 0.470 58.430 58.100 -0.232 0.000 1.195 36 Y CB 0.088 38.292 38.460 -0.426 0.000 1.076 36 Y HN 0.450 8.730 8.280 -0.000 0.000 0.548 37 G N -1.253 107.652 108.800 0.174 0.000 2.322 37 G HA2 0.210 4.169 3.960 -0.001 0.000 0.295 37 G HA3 0.210 4.169 3.960 -0.001 0.000 0.295 37 G C -2.702 172.235 174.900 0.061 0.000 1.369 37 G CA -0.641 44.543 45.100 0.140 0.000 0.821 37 G HN -0.277 8.013 8.290 -0.000 0.000 0.536 38 P HA 0.292 4.712 4.420 -0.000 0.000 0.262 38 P C -0.251 177.001 177.300 -0.080 0.000 1.304 38 P CA -0.240 62.809 63.100 -0.084 0.000 0.859 38 P CB 0.002 31.692 31.700 -0.017 0.000 1.310 39 F N 1.922 121.996 119.950 0.207 0.000 2.484 39 F HA 0.446 4.972 4.527 -0.001 0.000 0.360 39 F C 1.262 177.153 175.800 0.152 0.000 1.101 39 F CA -0.030 58.089 58.000 0.199 0.000 1.251 39 F CB 0.437 39.541 39.000 0.174 0.000 1.132 39 F HN 0.012 8.312 8.300 -0.000 0.000 0.570 40 A N 1.620 124.647 122.820 0.345 0.000 2.594 40 A HA 0.987 5.307 4.320 -0.001 0.000 0.291 40 A C -1.524 176.215 177.584 0.258 0.000 1.105 40 A CA -0.324 51.860 52.037 0.246 0.000 0.694 40 A CB 1.596 20.694 19.000 0.164 0.000 1.291 40 A HN 1.226 9.376 8.150 -0.000 0.000 0.410 41 A N -0.615 122.368 122.820 0.273 0.000 2.589 41 A HA 0.903 5.222 4.320 -0.001 0.000 0.296 41 A C -0.529 177.249 177.584 0.323 0.000 1.062 41 A CA 0.125 52.345 52.037 0.305 0.000 0.686 41 A CB 1.011 20.285 19.000 0.456 0.000 1.282 41 A HN 2.537 10.687 8.150 -0.000 0.000 0.404 42 A N 0.619 123.467 122.820 0.046 0.000 2.355 42 A HA 0.900 5.219 4.320 -0.001 0.000 0.324 42 A C 0.441 177.611 177.584 -0.690 0.000 1.117 42 A CA -0.007 51.965 52.037 -0.109 0.000 0.785 42 A CB 1.000 19.956 19.000 -0.074 0.000 1.254 42 A HN 2.515 10.665 8.150 -0.000 0.000 0.453 43 A N 1.993 124.391 122.820 -0.703 0.000 2.406 43 A HA 0.585 4.905 4.320 -0.001 0.000 0.243 43 A C -2.398 174.900 177.584 -0.478 0.000 1.082 43 A CA -1.092 50.422 52.037 -0.870 0.000 0.786 43 A CB -0.754 18.108 19.000 -0.229 0.000 1.029 43 A HN 0.563 8.713 8.150 -0.000 0.000 0.495 44 P HA 0.233 4.653 4.420 -0.000 0.000 0.263 44 P C 0.957 178.172 177.300 -0.142 0.000 1.195 44 P CA 1.828 64.790 63.100 -0.230 0.000 0.762 44 P CB 0.481 32.075 31.700 -0.176 0.000 0.799 45 G N 2.977 111.712 108.800 -0.109 0.000 2.225 45 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.254 45 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.254 45 G C 0.767 175.633 174.900 -0.057 0.000 0.988 45 G CA 0.188 45.248 45.100 -0.068 0.000 0.625 45 G HN 0.754 9.044 8.290 -0.000 0.000 0.527 46 A N -0.163 122.611 122.820 -0.076 0.000 2.460 46 A HA 0.632 4.952 4.320 -0.001 0.000 0.258 46 A C 1.504 179.066 177.584 -0.037 0.000 1.300 46 A CA 1.249 53.260 52.037 -0.044 0.000 0.913 46 A CB -0.041 18.941 19.000 -0.030 0.000 1.031 46 A HN 0.372 8.522 8.150 -0.000 0.000 0.512 47 E N 0.455 120.625 120.200 -0.050 0.000 2.153 47 E HA -0.113 4.237 4.350 -0.001 0.000 0.194 47 E C 2.093 178.682 176.600 -0.018 0.000 0.988 47 E CA 1.267 57.645 56.400 -0.038 0.000 0.811 47 E CB -0.358 29.316 29.700 -0.043 0.000 0.746 47 E HN 0.616 8.976 8.360 -0.000 0.000 0.466 48 A N 0.704 123.514 122.820 -0.016 0.000 1.978 48 A HA -0.117 4.203 4.320 -0.001 0.000 0.220 48 A C 2.394 179.977 177.584 -0.002 0.000 1.170 48 A CA 1.656 53.687 52.037 -0.009 0.000 0.636 48 A CB -1.148 17.847 19.000 -0.008 0.000 0.810 48 A HN 0.363 8.513 8.150 -0.000 0.000 0.448 49 G N -0.601 108.201 108.800 0.004 0.000 2.559 49 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.216 49 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.216 49 G C 1.386 176.298 174.900 0.019 0.000 1.126 49 G CA 0.714 45.823 45.100 0.015 0.000 0.778 49 G HN 0.462 8.752 8.290 -0.000 0.000 0.543 50 L N 0.464 121.696 121.223 0.015 0.000 2.083 50 L HA -0.085 4.254 4.340 -0.001 0.000 0.209 50 L C 3.346 180.222 176.870 0.010 0.000 1.083 50 L CA 0.889 55.740 54.840 0.019 0.000 0.752 50 L CB -0.328 41.738 42.059 0.013 0.000 0.899 50 L HN 0.299 8.529 8.230 -0.000 0.000 0.433 51 A N 0.229 123.050 122.820 0.002 0.000 1.948 51 A HA -0.264 4.056 4.320 -0.001 0.000 0.220 51 A C 2.497 180.082 177.584 0.002 0.000 1.177 51 A CA 2.150 54.186 52.037 -0.003 0.000 0.636 51 A CB -0.732 18.265 19.000 -0.005 0.000 0.815 51 A HN 0.549 8.699 8.150 -0.000 0.000 0.449 52 S N -0.294 115.411 115.700 0.008 0.000 2.474 52 S HA 0.012 4.482 4.470 -0.001 0.000 0.235 52 S C 1.632 176.239 174.600 0.013 0.000 0.997 52 S CA 1.163 59.369 58.200 0.010 0.000 0.949 52 S CB -0.592 62.616 63.200 0.013 0.000 0.766 52 S HN 0.480 8.790 8.310 -0.000 0.000 0.517 53 L N 0.234 121.467 121.223 0.017 0.000 2.395 53 L HA 0.257 4.596 4.340 -0.001 0.000 0.218 53 L C 0.461 177.336 176.870 0.010 0.000 1.130 53 L CA 0.374 55.226 54.840 0.020 0.000 0.826 53 L CB -0.378 41.700 42.059 0.031 0.000 0.941 53 L HN 0.288 8.518 8.230 -0.000 0.000 0.451 54 L N 1.644 122.868 121.223 0.002 0.000 2.356 54 L HA 0.155 4.495 4.340 -0.001 0.000 0.282 54 L C 0.984 177.852 176.870 -0.004 0.000 1.132 54 L CA -0.173 54.663 54.840 -0.006 0.000 0.923 54 L CB 0.445 42.494 42.059 -0.016 0.000 1.278 54 L HN 0.181 8.411 8.230 -0.000 0.000 0.436 55 Q N 3.290 123.090 119.800 -0.000 0.000 3.026 55 Q HA 0.534 4.874 4.340 -0.001 0.000 0.258 55 Q C 0.600 176.599 176.000 -0.001 0.000 1.388 55 Q CA 0.242 56.046 55.803 0.001 0.000 1.000 55 Q CB 0.363 29.104 28.738 0.004 0.000 1.634 55 Q HN 0.857 9.127 8.270 -0.000 0.000 0.571 56 G N 0.263 109.061 108.800 -0.004 0.000 2.355 56 G HA2 0.018 3.977 3.960 -0.001 0.000 0.619 56 G HA3 0.018 3.977 3.960 -0.001 0.000 0.619 56 G C 0.322 175.217 174.900 -0.008 0.000 1.337 56 G CA 0.273 45.370 45.100 -0.004 0.000 0.993 56 G HN 0.719 9.009 8.290 -0.000 0.000 0.599 57 D N -0.500 119.896 120.400 -0.007 0.000 2.123 57 D HA -0.025 4.615 4.640 -0.001 0.000 0.196 57 D C 1.954 178.246 176.300 -0.014 0.000 0.992 57 D CA 2.129 56.123 54.000 -0.010 0.000 0.833 57 D CB -0.344 40.453 40.800 -0.006 0.000 0.954 57 D HN 1.329 9.699 8.370 -0.000 0.000 0.455 58 A N 0.032 122.845 122.820 -0.011 0.000 2.387 58 A HA 0.166 4.485 4.320 -0.001 0.000 0.234 58 A C -0.123 177.450 177.584 -0.018 0.000 1.253 58 A CA -0.401 51.628 52.037 -0.013 0.000 0.894 58 A CB 0.004 19.001 19.000 -0.004 0.000 0.963 58 A HN 0.005 8.155 8.150 -0.000 0.000 0.508 59 D N 1.819 122.207 120.400 -0.020 0.000 2.382 59 D HA 0.387 5.027 4.640 -0.001 0.000 0.245 59 D C 0.360 176.632 176.300 -0.046 0.000 1.120 59 D CA 0.531 54.517 54.000 -0.023 0.000 0.890 59 D CB 0.620 41.411 40.800 -0.015 0.000 1.201 59 D HN 0.689 9.059 8.370 -0.000 0.000 0.433 60 E N 0.701 120.866 120.200 -0.058 0.000 2.413 60 E HA 0.649 4.999 4.350 -0.001 0.000 0.277 60 E C -1.011 175.525 176.600 -0.106 0.000 0.958 60 E CA -1.012 55.321 56.400 -0.112 0.000 0.779 60 E CB 1.595 31.193 29.700 -0.170 0.000 1.278 60 E HN 0.449 8.809 8.360 -0.000 0.000 0.456 61 I N -2.312 118.171 120.570 -0.145 0.000 2.647 61 I HA 0.606 4.776 4.170 -0.001 0.000 0.295 61 I C -1.412 174.622 176.117 -0.138 0.000 1.078 61 I CA -1.164 60.090 61.300 -0.076 0.000 1.048 61 I CB 1.486 39.489 38.000 0.005 0.000 1.239 61 I HN 0.560 8.770 8.210 -0.000 0.000 0.421 62 W N 5.242 126.497 121.300 -0.074 0.000 2.390 62 W HA 0.687 5.346 4.660 -0.001 0.000 0.312 62 W C -0.980 175.633 176.519 0.157 0.000 1.123 62 W CA -0.501 56.832 57.345 -0.019 0.000 1.202 62 W CB 1.750 31.086 29.460 -0.206 0.000 1.251 62 W HN 0.293 8.473 8.180 -0.000 0.000 0.511 63 L N 4.065 125.547 121.223 0.432 0.000 2.329 63 L HA 0.624 4.963 4.340 -0.001 0.000 0.279 63 L C -0.450 176.605 176.870 0.308 0.000 1.014 63 L CA -1.018 54.016 54.840 0.324 0.000 0.814 63 L CB 1.486 43.653 42.059 0.179 0.000 1.257 63 L HN 0.034 8.264 8.230 -0.000 0.000 0.424 64 V N 2.476 122.514 119.914 0.207 0.000 2.349 64 V HA 0.582 4.701 4.120 -0.001 0.000 0.284 64 V C -0.391 175.726 176.094 0.038 0.000 1.014 64 V CA -0.480 61.854 62.300 0.056 0.000 0.826 64 V CB 1.078 32.834 31.823 -0.112 0.000 1.009 64 V HN 0.697 8.887 8.190 -0.000 0.000 0.431 65 E N 4.662 124.881 120.200 0.031 0.000 2.433 65 E HA 0.414 4.763 4.350 -0.001 0.000 0.278 65 E C -2.283 174.330 176.600 0.022 0.000 0.976 65 E CA -1.759 54.659 56.400 0.030 0.000 0.793 65 E CB 2.232 31.949 29.700 0.028 0.000 1.311 65 E HN 0.141 8.501 8.360 -0.000 0.000 0.460 66 P HA -0.100 4.320 4.420 -0.000 0.000 0.216 66 P C -0.037 177.276 177.300 0.021 0.000 1.150 66 P CA 1.522 64.634 63.100 0.020 0.000 0.837 66 P CB 0.501 32.209 31.700 0.013 0.000 0.786 67 E N -1.655 118.556 120.200 0.018 0.000 2.299 67 E HA 0.381 4.731 4.350 -0.001 0.000 0.265 67 E C -2.552 174.066 176.600 0.029 0.000 0.911 67 E CA -2.841 53.571 56.400 0.021 0.000 0.789 67 E CB 0.182 29.888 29.700 0.010 0.000 1.246 67 E HN -0.118 8.242 8.360 -0.000 0.000 0.427 68 P HA -0.007 4.413 4.420 -0.000 0.000 0.265 68 P C -0.415 176.899 177.300 0.023 0.000 1.187 68 P CA 0.020 63.143 63.100 0.038 0.000 0.766 68 P CB 0.368 32.089 31.700 0.034 0.000 0.820 69 V N 3.077 123.006 119.914 0.024 0.000 2.385 69 V HA 0.371 4.491 4.120 -0.001 0.000 0.269 69 V C 0.785 176.879 176.094 -0.001 0.000 1.043 69 V CA -0.786 61.519 62.300 0.009 0.000 0.906 69 V CB 0.476 32.307 31.823 0.013 0.000 0.995 69 V HN 0.692 8.882 8.190 -0.000 0.000 0.467 70 A N 8.710 131.527 122.820 -0.006 0.000 2.540 70 A HA 0.411 4.731 4.320 -0.001 0.000 0.239 70 A C -1.923 175.652 177.584 -0.014 0.000 1.061 70 A CA -0.757 51.275 52.037 -0.009 0.000 0.758 70 A CB -0.251 18.743 19.000 -0.010 0.000 0.991 70 A HN 0.676 8.826 8.150 -0.000 0.000 0.502 71 P HA 0.234 4.654 4.420 -0.000 0.000 0.276 71 P C -2.530 174.759 177.300 -0.018 0.000 1.264 71 P CA -1.063 62.024 63.100 -0.022 0.000 0.769 71 P CB 0.361 32.045 31.700 -0.026 0.000 0.840 72 P HA 0.213 4.633 4.420 -0.000 0.000 0.273 72 P C -2.570 174.721 177.300 -0.015 0.000 1.250 72 P CA -1.818 61.273 63.100 -0.015 0.000 0.793 72 P CB -1.097 30.595 31.700 -0.014 0.000 1.011 73 P HA 0.012 4.432 4.420 -0.000 0.000 0.261 73 P C 1.034 178.327 177.300 -0.012 0.000 1.173 73 P CA 1.662 64.756 63.100 -0.011 0.000 0.760 73 P CB -0.346 31.349 31.700 -0.009 0.000 0.783 74 G N 1.379 110.172 108.800 -0.013 0.000 2.176 74 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.253 74 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.253 74 G C 0.257 175.145 174.900 -0.019 0.000 0.979 74 G CA 0.370 45.461 45.100 -0.014 0.000 0.641 74 G HN 0.870 9.160 8.290 -0.000 0.000 0.530 75 T N -2.187 112.354 114.554 -0.022 0.000 2.930 75 T HA 0.801 5.151 4.350 -0.001 0.000 0.290 75 T C -0.282 174.398 174.700 -0.033 0.000 1.052 75 T CA -0.041 62.040 62.100 -0.031 0.000 1.017 75 T CB 2.380 71.229 68.868 -0.033 0.000 1.137 75 T HN 1.168 9.408 8.240 -0.000 0.000 0.511 76 R N 0.151 120.624 120.500 -0.044 0.000 2.795 76 R HA 0.718 5.058 4.340 -0.001 0.000 0.275 76 R C -1.646 174.615 176.300 -0.064 0.000 0.981 76 R CA -1.071 55.002 56.100 -0.046 0.000 0.917 76 R CB 1.618 31.893 30.300 -0.041 0.000 1.202 76 R HN 0.437 8.707 8.270 -0.000 0.000 0.469 77 V N 4.387 124.267 119.914 -0.057 0.000 2.389 77 V HA 0.121 4.241 4.120 -0.001 0.000 0.264 77 V C 1.441 177.487 176.094 -0.080 0.000 1.049 77 V CA -0.199 62.057 62.300 -0.073 0.000 0.932 77 V CB 0.700 32.497 31.823 -0.044 0.000 1.011 77 V HN 0.759 8.949 8.190 -0.000 0.000 0.475 78 I N 3.878 124.372 120.570 -0.126 0.000 2.296 78 I HA 0.086 4.255 4.170 -0.001 0.000 0.242 78 I C 1.141 177.205 176.117 -0.087 0.000 1.087 78 I CA 0.982 62.213 61.300 -0.116 0.000 1.393 78 I CB 0.095 37.995 38.000 -0.168 0.000 1.093 78 I HN 0.510 8.720 8.210 -0.000 0.000 0.421 79 R N -0.255 120.167 120.500 -0.130 0.000 2.795 79 R HA 0.655 4.995 4.340 -0.001 0.000 0.275 79 R C -1.441 174.873 176.300 0.023 0.000 0.981 79 R CA -0.541 55.548 56.100 -0.017 0.000 0.917 79 R CB 3.278 33.628 30.300 0.083 0.000 1.202 79 R HN -0.125 8.145 8.270 -0.000 0.000 0.469 80 V N 1.038 121.018 119.914 0.110 0.000 2.577 80 V HA 0.823 4.943 4.120 -0.001 0.000 0.303 80 V C -1.451 174.768 176.094 0.208 0.000 1.042 80 V CA -0.350 62.042 62.300 0.153 0.000 0.872 80 V CB 1.681 33.558 31.823 0.090 0.000 0.998 80 V HN 0.904 9.094 8.190 -0.000 0.000 0.423 81 A N 8.039 131.021 122.820 0.270 0.000 2.375 81 A HA 0.894 5.214 4.320 -0.001 0.000 0.291 81 A C -3.034 174.672 177.584 0.202 0.000 1.160 81 A CA -1.660 50.555 52.037 0.296 0.000 0.747 81 A CB 1.595 20.872 19.000 0.462 0.000 1.170 81 A HN 0.665 8.815 8.150 -0.000 0.000 0.458 82 P HA 0.388 4.808 4.420 -0.000 0.000 0.271 82 P C -0.773 176.593 177.300 0.111 0.000 1.220 82 P CA 0.260 63.431 63.100 0.118 0.000 0.768 82 P CB 0.572 32.336 31.700 0.106 0.000 0.848 83 L N 2.795 124.050 121.223 0.052 0.000 2.341 83 L HA 0.573 4.913 4.340 -0.001 0.000 0.267 83 L C -0.341 176.569 176.870 0.066 0.000 1.009 83 L CA -1.207 53.644 54.840 0.018 0.000 0.819 83 L CB 1.752 43.775 42.059 -0.060 0.000 1.323 83 L HN 0.190 8.420 8.230 -0.000 0.000 0.425 84 L N 2.134 123.403 121.223 0.076 0.000 2.287 84 L HA 0.420 4.759 4.340 -0.001 0.000 0.287 84 L C -0.119 176.802 176.870 0.085 0.000 1.022 84 L CA 0.287 55.174 54.840 0.078 0.000 0.814 84 L CB 1.475 43.575 42.059 0.069 0.000 1.217 84 L HN 0.629 8.859 8.230 -0.000 0.000 0.420 88 A N 4.560 127.174 122.820 -0.344 0.000 2.969 88 A HA 0.436 4.756 4.320 -0.001 0.000 0.328 88 A C -0.046 177.368 177.584 -0.284 0.000 1.355 88 A CA -0.373 51.308 52.037 -0.595 0.000 1.018 88 A CB -0.465 17.795 19.000 -1.234 0.000 1.159 88 A HN 0.647 8.797 8.150 -0.000 0.000 0.505 89 D N 0.738 121.039 120.400 -0.164 0.000 2.342 89 D HA 0.183 4.823 4.640 -0.001 0.000 0.221 89 D C 0.712 176.964 176.300 -0.080 0.000 1.101 89 D CA 0.471 54.414 54.000 -0.094 0.000 0.837 89 D CB 0.100 40.871 40.800 -0.047 0.000 0.938 89 D HN 0.364 8.734 8.370 -0.000 0.000 0.508 90 G N 0.691 109.430 108.800 -0.102 0.000 2.568 90 G HA2 0.513 4.473 3.960 -0.001 0.000 0.293 90 G HA3 0.513 4.473 3.960 -0.001 0.000 0.293 90 G C -2.437 172.417 174.900 -0.077 0.000 1.347 90 G CA -1.374 43.681 45.100 -0.074 0.000 1.039 90 G HN -0.019 8.271 8.290 -0.000 0.000 0.523 91 P HA 0.255 4.675 4.420 -0.000 0.000 0.271 91 P C -0.561 176.703 177.300 -0.060 0.000 1.233 91 P CA -0.204 62.867 63.100 -0.048 0.000 0.764 91 P CB 1.139 32.820 31.700 -0.031 0.000 0.825 92 V N 6.667 126.544 119.914 -0.061 0.000 2.383 92 V HA 0.268 4.387 4.120 -0.001 0.000 0.275 92 V C -1.575 174.502 176.094 -0.029 0.000 1.036 92 V CA -1.422 60.838 62.300 -0.066 0.000 0.889 92 V CB 0.779 32.552 31.823 -0.083 0.000 0.985 92 V HN 0.584 8.774 8.190 -0.000 0.000 0.459 93 P HA 0.263 4.683 4.420 -0.000 0.000 0.274 93 P C -0.069 177.259 177.300 0.046 0.000 1.237 93 P CA -0.293 62.817 63.100 0.017 0.000 0.793 93 P CB 0.554 32.273 31.700 0.031 0.000 0.977 94 S N 0.733 116.468 115.700 0.057 0.000 2.589 94 S HA 0.445 4.914 4.470 -0.001 0.000 0.265 94 S C -0.512 174.192 174.600 0.174 0.000 1.342 94 S CA -0.341 57.906 58.200 0.078 0.000 1.005 94 S CB 0.071 63.295 63.200 0.041 0.000 0.909 94 S HN 0.495 8.805 8.310 -0.000 0.000 0.555 95 F N 0.571 120.494 119.950 -0.045 0.000 2.630 95 F HA 0.425 4.952 4.527 -0.001 0.000 0.325 95 F C -1.497 174.263 175.800 -0.066 0.000 1.184 95 F CA -0.622 57.345 58.000 -0.054 0.000 1.011 95 F CB 1.762 40.722 39.000 -0.067 0.000 1.268 95 F HN 0.752 9.052 8.300 -0.000 0.000 0.480 96 D N 4.104 124.158 120.400 -0.577 0.000 2.505 96 D HA 0.337 4.977 4.640 -0.001 0.000 0.249 96 D C -1.936 173.945 176.300 -0.698 0.000 1.082 96 D CA -0.039 53.686 54.000 -0.458 0.000 0.839 96 D CB 1.590 42.245 40.800 -0.241 0.000 1.317 96 D HN 0.480 8.850 8.370 -0.000 0.000 0.497 97 D N 3.987 124.089 120.400 -0.496 0.000 2.616 97 D HA 0.221 4.861 4.640 -0.001 0.000 0.238 97 D C -2.016 174.186 176.300 -0.163 0.000 1.354 97 D CA -1.677 52.093 54.000 -0.384 0.000 0.970 97 D CB 2.246 42.802 40.800 -0.406 0.000 1.369 97 D HN 0.127 8.497 8.370 -0.000 0.000 0.585 98 P HA 0.053 4.473 4.420 -0.000 0.000 0.225 98 P C 1.206 178.492 177.300 -0.023 0.000 1.148 98 P CA 0.443 63.509 63.100 -0.056 0.000 0.779 98 P CB 0.290 31.960 31.700 -0.049 0.000 0.780 99 G N -0.458 108.330 108.800 -0.020 0.000 2.712 99 G HA2 0.055 4.015 3.960 -0.001 0.000 0.212 99 G HA3 0.055 4.015 3.960 -0.001 0.000 0.212 99 G C 0.688 175.606 174.900 0.030 0.000 1.142 99 G CA -0.088 45.015 45.100 0.005 0.000 0.789 99 G HN 0.250 8.540 8.290 -0.000 0.000 0.535 100 I N 1.432 122.024 120.570 0.037 0.000 2.353 100 I HA 0.353 4.523 4.170 -0.001 0.000 0.293 100 I C -0.119 176.069 176.117 0.120 0.000 0.992 100 I CA -1.004 60.346 61.300 0.084 0.000 1.268 100 I CB 2.010 40.053 38.000 0.073 0.000 1.387 100 I HN -0.103 8.107 8.210 -0.000 0.000 0.478 101 V N 3.127 123.144 119.914 0.173 0.000 2.628 101 V HA 0.800 4.920 4.120 -0.001 0.000 0.306 101 V C 0.209 176.473 176.094 0.283 0.000 1.045 101 V CA -0.840 61.571 62.300 0.183 0.000 0.905 101 V CB 1.509 33.396 31.823 0.106 0.000 0.997 101 V HN 0.794 8.984 8.190 -0.000 0.000 0.436 102 A N 5.493 128.461 122.820 0.247 0.000 2.454 102 A HA 0.609 4.928 4.320 -0.001 0.000 0.260 102 A C 0.029 177.634 177.584 0.035 0.000 1.106 102 A CA -0.311 51.770 52.037 0.073 0.000 0.780 102 A CB -0.332 18.693 19.000 0.042 0.000 1.044 102 A HN 0.958 9.108 8.150 -0.000 0.000 0.498 103 L N 2.735 123.964 121.223 0.010 0.000 2.395 103 L HA 0.601 4.941 4.340 -0.001 0.000 0.269 103 L C 1.036 177.926 176.870 0.033 0.000 1.133 103 L CA -0.091 54.777 54.840 0.046 0.000 0.812 103 L CB 1.255 43.371 42.059 0.096 0.000 1.125 103 L HN 0.838 9.068 8.230 -0.000 0.000 0.452 104 G N 0.524 109.325 108.800 0.003 0.000 3.105 104 G HA2 0.297 4.257 3.960 -0.001 0.000 0.277 104 G HA3 0.297 4.257 3.960 -0.001 0.000 0.277 104 G C 0.135 174.971 174.900 -0.107 0.000 1.375 104 G CA -0.339 44.757 45.100 -0.007 0.000 0.962 104 G HN 0.652 8.942 8.290 -0.000 0.000 0.541 105 E N -0.555 119.572 120.200 -0.122 0.000 2.160 105 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 105 E C 2.591 179.025 176.600 -0.276 0.000 0.991 105 E CA 1.784 58.011 56.400 -0.288 0.000 0.810 105 E CB -0.136 29.470 29.700 -0.157 0.000 0.742 105 E HN 0.565 8.925 8.360 -0.000 0.000 0.466 106 T N -0.603 113.859 114.554 -0.153 0.000 2.962 106 T HA -0.105 4.245 4.350 -0.001 0.000 0.270 106 T C 1.230 175.855 174.700 -0.125 0.000 1.088 106 T CA 0.939 62.967 62.100 -0.119 0.000 1.127 106 T CB -0.031 68.799 68.868 -0.064 0.000 0.883 106 T HN -0.003 8.237 8.240 -0.000 0.000 0.493 107 D N 0.884 121.198 120.400 -0.143 0.000 2.355 107 D HA 0.106 4.746 4.640 -0.001 0.000 0.218 107 D C 2.041 178.233 176.300 -0.180 0.000 1.004 107 D CA 0.192 54.122 54.000 -0.117 0.000 0.880 107 D CB 0.211 40.968 40.800 -0.070 0.000 0.911 107 D HN 0.315 8.685 8.370 -0.000 0.000 0.528 108 V N 1.894 121.614 119.914 -0.324 0.000 2.343 108 V HA -0.187 3.933 4.120 -0.001 0.000 0.247 108 V C -0.494 175.461 176.094 -0.231 0.000 1.051 108 V CA 1.740 63.763 62.300 -0.463 0.000 1.036 108 V CB -1.337 29.928 31.823 -0.930 0.000 0.654 108 V HN 0.143 8.333 8.190 -0.000 0.000 0.451 109 P HA -0.105 4.315 4.420 -0.000 0.000 0.215 109 P C 0.804 178.090 177.300 -0.023 0.000 1.153 109 P CA 1.060 64.121 63.100 -0.064 0.000 0.853 109 P CB 0.062 31.733 31.700 -0.049 0.000 0.788 113 A N 1.479 124.275 122.820 -0.040 0.000 1.877 113 A HA 0.073 4.392 4.320 -0.001 0.000 0.216 113 A C 2.143 179.685 177.584 -0.070 0.000 1.186 113 A CA 1.954 54.035 52.037 0.072 0.000 0.620 113 A CB -0.720 18.425 19.000 0.242 0.000 0.822 113 A HN 0.374 8.524 8.150 -0.000 0.000 0.443 114 L N -0.155 120.893 121.223 -0.292 0.000 2.017 114 L HA -0.062 4.278 4.340 -0.001 0.000 0.208 114 L C 2.657 179.065 176.870 -0.770 0.000 1.073 114 L CA 2.370 56.655 54.840 -0.926 0.000 0.745 114 L CB -0.981 40.615 42.059 -0.773 0.000 0.894 114 L HN 0.340 8.570 8.230 -0.000 0.000 0.432 115 A N -0.759 121.605 122.820 -0.759 0.000 1.902 115 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 115 A C 1.988 179.283 177.584 -0.481 0.000 1.181 115 A CA 1.758 53.280 52.037 -0.858 0.000 0.623 115 A CB -0.738 17.109 19.000 -1.922 0.000 0.818 115 A HN 0.430 8.580 8.150 -0.000 0.000 0.443 116 L N -1.241 119.774 121.223 -0.347 0.000 2.554 116 L HA 0.142 4.482 4.340 -0.001 0.000 0.226 116 L C 2.390 179.216 176.870 -0.074 0.000 1.137 116 L CA 1.364 56.128 54.840 -0.127 0.000 0.863 116 L CB -1.249 40.792 42.059 -0.029 0.000 0.985 116 L HN 0.454 8.684 8.230 -0.000 0.000 0.451 117 A N -0.901 121.841 122.820 -0.130 0.000 2.220 117 A HA 0.157 4.476 4.320 -0.001 0.000 0.211 117 A C 1.395 178.926 177.584 -0.088 0.000 1.176 117 A CA 0.842 52.857 52.037 -0.037 0.000 0.834 117 A CB -0.102 18.986 19.000 0.146 0.000 0.868 117 A HN 0.424 8.574 8.150 -0.000 0.000 0.488 118 T N -2.786 111.655 114.554 -0.188 0.000 2.708 118 T HA 0.567 4.917 4.350 -0.001 0.000 0.256 118 T C -0.492 174.155 174.700 -0.090 0.000 0.946 118 T CA -0.587 61.421 62.100 -0.153 0.000 1.039 118 T CB 0.790 69.508 68.868 -0.250 0.000 1.557 118 T HN 0.094 8.334 8.240 -0.000 0.000 0.576 119 E N 2.163 122.328 120.200 -0.059 0.000 3.303 119 E HA 0.362 4.712 4.350 -0.001 0.000 0.215 119 E C -2.325 174.301 176.600 0.043 0.000 1.181 119 E CA -1.551 54.853 56.400 0.007 0.000 0.998 119 E CB 0.887 30.600 29.700 0.021 0.000 1.312 119 E HN 0.504 8.864 8.360 -0.000 0.000 0.412 123 W N 3.305 124.638 121.300 0.055 0.000 2.830 123 W HA 0.721 5.381 4.660 -0.000 0.000 0.335 123 W C -1.460 175.098 176.519 0.067 0.000 1.043 123 W CA -0.376 57.014 57.345 0.074 0.000 1.239 123 W CB 2.256 31.747 29.460 0.051 0.000 1.378 123 W HN 0.651 8.831 8.180 -0.000 0.000 0.456 124 A N 2.808 125.539 122.820 -0.147 0.000 2.282 124 A HA 0.485 4.805 4.320 -0.001 0.000 0.324 124 A C 1.170 178.687 177.584 -0.111 0.000 1.119 124 A CA 0.271 52.276 52.037 -0.053 0.000 0.880 124 A CB 1.124 20.083 19.000 -0.069 0.000 1.294 124 A HN 0.851 9.001 8.150 -0.000 0.000 0.493 125 S N -0.491 115.220 115.700 0.018 0.000 2.402 125 S HA -0.087 4.382 4.470 -0.001 0.000 0.233 125 S C 1.247 175.893 174.600 0.075 0.000 1.030 125 S CA 1.738 60.002 58.200 0.106 0.000 1.003 125 S CB -0.462 62.791 63.200 0.089 0.000 0.813 125 S HN 1.612 9.922 8.310 -0.000 0.000 0.477 126 G N -0.372 108.267 108.800 -0.268 0.000 3.690 126 G HA2 0.319 4.279 3.960 -0.001 0.000 0.283 126 G HA3 0.319 4.279 3.960 -0.001 0.000 0.283 126 G C 0.760 174.989 174.900 -1.117 0.000 1.057 126 G CA 0.223 44.880 45.100 -0.738 0.000 0.821 126 G HN 0.456 8.746 8.290 -0.000 0.000 0.526 127 T N 1.013 115.046 114.554 -0.868 0.000 2.881 127 T HA -0.138 4.212 4.350 -0.001 0.000 0.270 127 T C 2.067 176.336 174.700 -0.719 0.000 1.068 127 T CA 1.173 62.740 62.100 -0.888 0.000 1.131 127 T CB -0.289 67.721 68.868 -1.431 0.000 0.871 127 T HN 0.765 9.005 8.240 -0.000 0.000 0.479 128 W N 2.191 123.104 121.300 -0.644 0.000 2.424 128 W HA -0.053 4.607 4.660 -0.001 0.000 0.264 128 W C 1.206 177.657 176.519 -0.113 0.000 1.229 128 W CA 0.282 57.406 57.345 -0.370 0.000 1.208 128 W CB -0.857 28.475 29.460 -0.212 0.000 1.127 128 W HN 0.268 8.448 8.180 -0.000 0.000 0.588 129 R N -0.794 119.172 120.500 -0.890 0.000 2.299 129 R HA -0.078 4.262 4.340 -0.001 0.000 0.197 129 R C 1.816 178.069 176.300 -0.077 0.000 0.971 129 R CA 0.549 56.219 56.100 -0.716 0.000 1.030 129 R CB -0.675 28.889 30.300 -1.226 0.000 0.932 129 R HN 0.039 8.309 8.270 -0.000 0.000 0.477 130 Y N 0.585 120.867 120.300 -0.030 0.000 2.293 130 Y HA -0.031 4.518 4.550 -0.000 0.000 0.291 130 Y C 1.352 177.332 175.900 0.134 0.000 1.137 130 Y CA 1.160 59.362 58.100 0.170 0.000 1.202 130 Y CB 0.265 38.817 38.460 0.154 0.000 0.990 130 Y HN 0.125 8.405 8.280 -0.000 0.000 0.537 131 G N -1.388 107.625 108.800 0.355 0.000 2.348 131 G HA2 0.226 4.186 3.960 -0.001 0.000 0.296 131 G HA3 0.226 4.186 3.960 -0.001 0.000 0.296 131 G C -1.676 173.361 174.900 0.228 0.000 1.258 131 G CA -0.996 44.234 45.100 0.217 0.000 0.868 131 G HN -0.118 8.172 8.290 -0.000 0.000 0.488 132 Q N -0.353 119.489 119.800 0.069 0.000 2.313 132 Q HA 0.618 4.957 4.340 -0.001 0.000 0.266 132 Q C -1.374 174.550 176.000 -0.126 0.000 0.989 132 Q CA 0.141 55.935 55.803 -0.016 0.000 0.890 132 Q CB 0.336 29.001 28.738 -0.122 0.000 1.200 132 Q HN 0.278 8.548 8.270 -0.000 0.000 0.396 133 F N 3.230 123.104 119.950 -0.127 0.000 2.492 133 F HA 0.495 5.021 4.527 -0.001 0.000 0.327 133 F C -0.807 174.814 175.800 -0.297 0.000 1.079 133 F CA -0.499 57.457 58.000 -0.074 0.000 0.967 133 F CB 1.253 40.314 39.000 0.101 0.000 1.169 133 F HN 0.489 8.789 8.300 -0.000 0.000 0.472 134 Y N 0.073 120.505 120.300 0.219 0.000 2.524 134 Y HA 0.751 5.301 4.550 -0.001 0.000 0.344 134 Y C 0.423 176.420 175.900 0.162 0.000 1.012 134 Y CA -1.197 56.998 58.100 0.159 0.000 1.068 134 Y CB 2.219 40.743 38.460 0.106 0.000 1.249 134 Y HN 0.655 8.935 8.280 -0.000 0.000 0.468 135 G N 0.136 109.111 108.800 0.292 0.000 2.672 135 G HA2 0.632 4.592 3.960 -0.001 0.000 0.292 135 G HA3 0.632 4.592 3.960 -0.001 0.000 0.292 135 G C -2.167 172.815 174.900 0.137 0.000 1.375 135 G CA -0.856 44.353 45.100 0.182 0.000 0.890 135 G HN 0.428 8.718 8.290 -0.000 0.000 0.476 136 V N 0.827 120.793 119.914 0.086 0.000 2.487 136 V HA 0.539 4.658 4.120 -0.001 0.000 0.298 136 V C -0.150 175.944 176.094 0.000 0.000 1.028 136 V CA -0.861 61.464 62.300 0.042 0.000 0.860 136 V CB 1.671 33.509 31.823 0.025 0.000 0.991 136 V HN 0.694 8.884 8.190 -0.000 0.000 0.427 137 R N 4.450 124.941 120.500 -0.015 0.000 2.407 137 R HA 0.742 5.081 4.340 -0.001 0.000 0.303 137 R C -1.189 175.047 176.300 -0.106 0.000 0.981 137 R CA -0.567 55.505 56.100 -0.046 0.000 0.905 137 R CB 1.950 32.242 30.300 -0.012 0.000 1.099 137 R HN 0.580 8.850 8.270 -0.000 0.000 0.459 138 I N 2.264 122.719 120.570 -0.192 0.000 2.533 138 I HA 0.105 4.275 4.170 -0.001 0.000 0.290 138 I C -0.311 175.729 176.117 -0.128 0.000 1.056 138 I CA -0.486 60.678 61.300 -0.227 0.000 1.057 138 I CB 2.160 39.847 38.000 -0.520 0.000 1.240 138 I HN 0.669 8.879 8.210 -0.000 0.000 0.423 139 D N 4.858 125.227 120.400 -0.052 0.000 2.811 139 D HA -0.216 4.424 4.640 -0.001 0.000 0.231 139 D C 1.100 177.396 176.300 -0.007 0.000 1.157 139 D CA 1.342 55.338 54.000 -0.008 0.000 0.716 139 D CB -1.060 39.760 40.800 0.034 0.000 1.077 139 D HN 1.192 9.562 8.370 -0.000 0.000 0.428 140 G N -0.339 108.451 108.800 -0.017 0.000 2.205 140 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.261 140 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.261 140 G C 0.383 175.283 174.900 0.000 0.000 0.980 140 G CA 0.661 45.757 45.100 -0.007 0.000 0.632 140 G HN 0.523 8.813 8.290 -0.000 0.000 0.533 141 R N -0.680 119.820 120.500 0.001 0.000 2.598 141 R HA 0.615 4.954 4.340 -0.001 0.000 0.279 141 R C -0.225 176.104 176.300 0.049 0.000 0.984 141 R CA -1.073 55.049 56.100 0.036 0.000 0.999 141 R CB 1.422 31.759 30.300 0.061 0.000 1.114 141 R HN 0.153 8.423 8.270 -0.000 0.000 0.493 142 L N 2.574 123.871 121.223 0.124 0.000 2.485 142 L HA 0.123 4.463 4.340 -0.001 0.000 0.279 142 L C 0.758 177.794 176.870 0.277 0.000 1.124 142 L CA 0.679 55.607 54.840 0.147 0.000 0.888 142 L CB 0.781 42.929 42.059 0.148 0.000 1.217 142 L HN 0.867 9.097 8.230 -0.000 0.000 0.464 143 A N 4.390 127.281 122.820 0.118 0.000 1.975 143 A HA 0.667 4.987 4.320 -0.001 0.000 0.215 143 A C 0.950 178.678 177.584 0.240 0.000 1.170 143 A CA 0.959 53.089 52.037 0.155 0.000 0.656 143 A CB -0.181 18.583 19.000 -0.394 0.000 0.821 143 A HN 0.911 9.061 8.150 -0.000 0.000 0.449 147 G N -0.296 108.184 108.800 -0.534 0.000 2.677 147 G HA2 0.661 4.621 3.960 -0.001 0.000 0.283 147 G HA3 0.661 4.621 3.960 -0.001 0.000 0.283 147 G C -1.492 172.980 174.900 -0.713 0.000 1.221 147 G CA -0.337 44.036 45.100 -1.211 0.000 0.851 147 G HN 0.800 9.090 8.290 -0.000 0.000 0.504 148 E N -0.415 119.370 120.200 -0.692 0.000 2.288 148 E HA 0.657 5.007 4.350 -0.001 0.000 0.268 148 E C -0.452 176.002 176.600 -0.244 0.000 0.885 148 E CA -0.707 55.507 56.400 -0.310 0.000 0.767 148 E CB 3.181 32.788 29.700 -0.155 0.000 1.220 148 E HN 0.488 8.848 8.360 -0.000 0.000 0.427 152 P HA -0.045 4.375 4.420 -0.000 0.000 0.226 152 P C -0.336 176.936 177.300 -0.047 0.000 1.153 152 P CA 0.820 63.905 63.100 -0.026 0.000 0.777 152 P CB 0.518 32.162 31.700 -0.094 0.000 0.794 153 A N -2.202 120.593 122.820 -0.041 0.000 2.610 153 A HA 0.526 4.845 4.320 -0.001 0.000 0.291 153 A C -2.331 175.237 177.584 -0.028 0.000 1.086 153 A CA -1.171 50.836 52.037 -0.051 0.000 0.677 153 A CB 0.297 19.247 19.000 -0.084 0.000 1.278 153 A HN -0.296 7.854 8.150 -0.000 0.000 0.414 154 P HA -0.134 4.286 4.420 -0.000 0.000 0.218 154 P C 0.787 178.084 177.300 -0.006 0.000 1.148 154 P CA 1.723 64.813 63.100 -0.016 0.000 0.822 154 P CB 0.105 31.792 31.700 -0.022 0.000 0.784 155 N N -0.948 117.744 118.700 -0.014 0.000 2.268 155 N HA 0.034 4.774 4.740 -0.001 0.000 0.204 155 N C -0.279 175.239 175.510 0.013 0.000 1.124 155 N CA 0.184 53.231 53.050 -0.005 0.000 0.838 155 N CB -0.029 38.447 38.487 -0.019 0.000 0.994 155 N HN 0.180 8.560 8.380 -0.000 0.000 0.489 156 L N 0.740 121.979 121.223 0.026 0.000 2.386 156 L HA 0.773 5.113 4.340 -0.001 0.000 0.271 156 L C -0.673 176.290 176.870 0.154 0.000 0.993 156 L CA -0.848 54.039 54.840 0.079 0.000 0.819 156 L CB 2.136 44.195 42.059 0.000 0.000 1.294 156 L HN 0.060 8.290 8.230 -0.000 0.000 0.414 157 A N 2.174 125.131 122.820 0.229 0.000 2.455 157 A HA 0.520 4.839 4.320 -0.001 0.000 0.300 157 A C -1.151 176.428 177.584 -0.008 0.000 1.040 157 A CA -0.533 51.594 52.037 0.149 0.000 0.697 157 A CB 1.714 20.745 19.000 0.053 0.000 1.265 157 A HN 0.696 8.846 8.150 -0.000 0.000 0.407 158 E N 1.825 121.871 120.200 -0.257 0.000 2.194 158 E HA 0.447 4.797 4.350 -0.001 0.000 0.284 158 E C -0.809 175.515 176.600 -0.459 0.000 1.035 158 E CA -0.376 55.572 56.400 -0.752 0.000 0.836 158 E CB 0.915 30.179 29.700 -0.726 0.000 1.070 158 E HN 0.445 8.805 8.360 -0.000 0.000 0.401 159 V N 3.882 123.527 119.914 -0.449 0.000 2.508 159 V HA 0.229 4.348 4.120 -0.001 0.000 0.281 159 V C 0.299 176.186 176.094 -0.345 0.000 1.041 159 V CA 0.211 62.314 62.300 -0.329 0.000 1.016 159 V CB 1.035 32.686 31.823 -0.287 0.000 0.984 159 V HN 0.623 8.813 8.190 -0.000 0.000 0.478 160 S N 2.790 118.342 115.700 -0.247 0.000 2.615 160 S HA 0.671 5.141 4.470 -0.001 0.000 0.269 160 S C 0.362 174.980 174.600 0.031 0.000 1.161 160 S CA 0.304 58.425 58.200 -0.132 0.000 0.817 160 S CB 1.648 64.760 63.200 -0.146 0.000 1.131 160 S HN 2.030 10.340 8.310 -0.000 0.000 0.467 161 G N 0.732 109.647 108.800 0.190 0.000 2.221 161 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.265 161 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.265 161 G C -0.057 174.978 174.900 0.225 0.000 1.041 161 G CA 0.223 45.553 45.100 0.384 0.000 0.807 161 G HN 1.165 9.455 8.290 -0.000 0.000 0.502 162 V N 0.350 120.327 119.914 0.104 0.000 2.381 162 V HA 0.370 4.490 4.120 -0.001 0.000 0.257 162 V C 0.835 176.944 176.094 0.025 0.000 1.057 162 V CA -0.167 62.173 62.300 0.068 0.000 1.013 162 V CB 0.353 32.215 31.823 0.066 0.000 1.069 162 V HN 0.497 8.687 8.190 -0.000 0.000 0.484 163 C N 3.745 123.037 119.300 -0.014 0.000 2.547 163 C HA 0.763 5.223 4.460 -0.001 0.000 0.313 163 C C 0.371 175.290 174.990 -0.119 0.000 1.191 163 C CA -0.526 58.425 59.018 -0.111 0.000 1.474 163 C CB 1.882 29.481 27.740 -0.235 0.000 2.081 163 C HN 0.798 9.028 8.230 -0.000 0.000 0.476 164 T N 1.453 115.940 114.554 -0.112 0.000 2.881 164 T HA 0.348 4.697 4.350 -0.001 0.000 0.290 164 T C -0.706 173.987 174.700 -0.012 0.000 1.000 164 T CA -0.260 61.823 62.100 -0.027 0.000 0.978 164 T CB 0.660 69.563 68.868 0.059 0.000 0.997 164 T HN 0.652 8.892 8.240 -0.000 0.000 0.443 165 W N 3.267 124.631 121.300 0.107 0.000 2.231 165 W HA 0.170 4.829 4.660 -0.001 0.000 0.341 165 W C -1.543 174.965 176.519 -0.018 0.000 1.298 165 W CA -1.519 55.852 57.345 0.043 0.000 1.266 165 W CB 0.106 29.606 29.460 0.067 0.000 1.172 165 W HN 0.587 8.767 8.180 -0.000 0.000 0.568 166 P HA -0.306 4.114 4.420 -0.000 0.000 0.216 166 P C 1.491 178.789 177.300 -0.004 0.000 1.153 166 P CA 2.213 65.360 63.100 0.078 0.000 0.858 166 P CB 0.031 31.765 31.700 0.057 0.000 0.789 167 E N -1.139 118.984 120.200 -0.129 0.000 2.333 167 E HA -0.198 4.152 4.350 -0.001 0.000 0.198 167 E C 0.577 176.969 176.600 -0.346 0.000 1.007 167 E CA 1.347 57.562 56.400 -0.309 0.000 0.845 167 E CB -0.885 28.517 29.700 -0.497 0.000 0.766 167 E HN 0.366 8.726 8.360 -0.000 0.000 0.507 168 Y N 0.859 121.224 120.300 0.109 0.000 2.507 168 Y HA 0.352 4.902 4.550 -0.000 0.000 0.254 168 Y C 0.856 176.798 175.900 0.069 0.000 1.171 168 Y CA -0.728 57.427 58.100 0.092 0.000 1.238 168 Y CB 0.212 38.749 38.460 0.128 0.000 1.148 168 Y HN -0.166 8.114 8.280 -0.000 0.000 0.525 169 R N -0.263 120.329 120.500 0.152 0.000 2.615 169 R HA 0.404 4.743 4.340 -0.001 0.000 0.270 169 R C 1.223 177.567 176.300 0.073 0.000 1.081 169 R CA 0.684 56.842 56.100 0.097 0.000 1.154 169 R CB 0.122 30.456 30.300 0.057 0.000 1.063 169 R HN 0.419 8.689 8.270 -0.000 0.000 0.519 170 G N 1.015 109.845 108.800 0.050 0.000 2.143 170 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.248 170 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.248 170 G C 0.566 175.493 174.900 0.045 0.000 0.991 170 G CA 0.294 45.415 45.100 0.036 0.000 0.689 170 G HN 0.631 8.921 8.290 -0.000 0.000 0.522 171 R N -0.350 120.186 120.500 0.061 0.000 2.437 171 R HA 0.422 4.761 4.340 -0.001 0.000 0.257 171 R C 1.826 178.153 176.300 0.046 0.000 0.927 171 R CA 0.488 56.624 56.100 0.060 0.000 1.078 171 R CB 0.596 30.947 30.300 0.085 0.000 1.161 171 R HN 1.231 9.501 8.270 -0.000 0.000 0.529 172 G N 1.352 110.174 108.800 0.036 0.000 2.141 172 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.242 172 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.242 172 G C 0.706 175.625 174.900 0.031 0.000 0.982 172 G CA 0.070 45.185 45.100 0.026 0.000 0.662 172 G HN 0.219 8.509 8.290 -0.000 0.000 0.527 173 L N -0.198 121.050 121.223 0.041 0.000 2.044 173 L HA 0.082 4.422 4.340 -0.001 0.000 0.205 173 L C 3.283 180.175 176.870 0.036 0.000 1.075 173 L CA 1.759 56.627 54.840 0.047 0.000 0.747 173 L CB -0.865 41.229 42.059 0.058 0.000 0.903 173 L HN 0.370 8.600 8.230 -0.000 0.000 0.435 174 A N 0.458 123.293 122.820 0.024 0.000 1.892 174 A HA -0.248 4.072 4.320 -0.001 0.000 0.218 174 A C 2.552 180.132 177.584 -0.007 0.000 1.188 174 A CA 2.094 54.138 52.037 0.012 0.000 0.631 174 A CB -0.822 18.174 19.000 -0.005 0.000 0.822 174 A HN 0.415 8.565 8.150 -0.000 0.000 0.447 175 A N -0.485 122.319 122.820 -0.027 0.000 1.902 175 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 175 A C 2.253 179.768 177.584 -0.114 0.000 1.181 175 A CA 1.706 53.708 52.037 -0.059 0.000 0.623 175 A CB -0.471 18.495 19.000 -0.056 0.000 0.818 175 A HN 0.565 8.715 8.150 -0.000 0.000 0.443 176 R N -0.730 119.733 120.500 -0.061 0.000 2.073 176 R HA -0.035 4.305 4.340 -0.001 0.000 0.234 176 R C 2.108 178.370 176.300 -0.062 0.000 1.134 176 R CA 1.501 57.569 56.100 -0.054 0.000 0.952 176 R CB -0.511 29.869 30.300 0.132 0.000 0.850 176 R HN 0.509 8.779 8.270 -0.000 0.000 0.433 177 L N 0.296 121.522 121.223 0.005 0.000 2.046 177 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 177 L C 2.322 179.182 176.870 -0.018 0.000 1.077 177 L CA 1.323 56.181 54.840 0.030 0.000 0.747 177 L CB -0.354 41.752 42.059 0.078 0.000 0.896 177 L HN 0.188 8.418 8.230 -0.000 0.000 0.432 178 I N -0.633 119.917 120.570 -0.033 0.000 2.226 178 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 178 I C 2.700 178.767 176.117 -0.083 0.000 1.100 178 I CA 1.288 62.576 61.300 -0.021 0.000 1.374 178 I CB -0.295 37.726 38.000 0.035 0.000 1.057 178 I HN 0.172 8.382 8.210 -0.000 0.000 0.413 179 R N 0.513 120.861 120.500 -0.253 0.000 2.096 179 R HA -0.216 4.124 4.340 -0.001 0.000 0.235 179 R C 2.273 178.392 176.300 -0.300 0.000 1.127 179 R CA 1.318 57.147 56.100 -0.452 0.000 0.968 179 R CB -0.281 29.341 30.300 -1.130 0.000 0.861 179 R HN 0.148 8.418 8.270 -0.000 0.000 0.440 180 K N 0.714 121.005 120.400 -0.181 0.000 2.062 180 K HA -0.061 4.258 4.320 -0.001 0.000 0.205 180 K C 1.840 178.324 176.600 -0.193 0.000 1.051 180 K CA 1.083 57.306 56.287 -0.107 0.000 0.941 180 K CB -0.236 32.093 32.500 -0.284 0.000 0.719 180 K HN -0.077 8.173 8.250 -0.000 0.000 0.440 181 V N 2.386 122.248 119.914 -0.087 0.000 2.252 181 V HA -0.298 3.822 4.120 -0.001 0.000 0.249 181 V C 2.286 178.406 176.094 0.044 0.000 1.056 181 V CA 2.284 64.625 62.300 0.068 0.000 1.022 181 V CB -0.713 31.148 31.823 0.062 0.000 0.641 181 V HN 0.547 8.737 8.190 -0.000 0.000 0.445 182 I N -0.584 119.995 120.570 0.015 0.000 2.394 182 I HA -0.049 4.120 4.170 -0.001 0.000 0.251 182 I C 2.441 178.558 176.117 0.001 0.000 1.136 182 I CA 1.634 62.941 61.300 0.012 0.000 1.425 182 I CB -0.779 37.227 38.000 0.009 0.000 1.079 182 I HN 0.155 8.365 8.210 -0.000 0.000 0.425 183 A N 1.907 124.729 122.820 0.004 0.000 1.908 183 A HA 0.083 4.402 4.320 -0.001 0.000 0.218 183 A C 1.840 179.448 177.584 0.038 0.000 1.181 183 A CA 1.396 53.451 52.037 0.029 0.000 0.627 183 A CB -1.578 17.466 19.000 0.074 0.000 0.818 183 A HN 0.565 8.715 8.150 -0.000 0.000 0.445 187 A N 0.330 123.165 122.820 0.024 0.000 2.119 187 A HA 0.075 4.394 4.320 -0.001 0.000 0.217 187 A C 1.754 179.354 177.584 0.027 0.000 1.153 187 A CA 1.351 53.405 52.037 0.027 0.000 0.692 187 A CB -0.409 18.614 19.000 0.038 0.000 0.799 187 A HN 0.432 8.582 8.150 -0.000 0.000 0.458 188 R N -1.430 119.087 120.500 0.028 0.000 2.362 188 R HA 0.231 4.570 4.340 -0.001 0.000 0.227 188 R C 1.037 177.346 176.300 0.016 0.000 0.905 188 R CA 0.469 56.584 56.100 0.025 0.000 1.067 188 R CB 0.146 30.465 30.300 0.031 0.000 1.078 188 R HN 0.591 8.861 8.270 -0.000 0.000 0.516 189 G N 1.891 110.698 108.800 0.011 0.000 2.147 189 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.244 189 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.244 189 G C -0.297 174.605 174.900 0.003 0.000 1.005 189 G CA 0.124 45.226 45.100 0.004 0.000 0.713 189 G HN 0.388 8.678 8.290 -0.000 0.000 0.515 190 E N -0.924 119.282 120.200 0.008 0.000 2.248 190 E HA 0.571 4.920 4.350 -0.001 0.000 0.272 190 E C -0.076 176.528 176.600 0.007 0.000 1.008 190 E CA -0.929 55.480 56.400 0.014 0.000 0.856 190 E CB 2.292 32.008 29.700 0.027 0.000 1.120 190 E HN 0.073 8.433 8.360 -0.000 0.000 0.397 191 V N 4.056 123.980 119.914 0.016 0.000 2.350 191 V HA 0.237 4.356 4.120 -0.001 0.000 0.276 191 V C -2.221 173.903 176.094 0.050 0.000 1.028 191 V CA -1.993 60.311 62.300 0.006 0.000 0.860 191 V CB 0.935 32.764 31.823 0.009 0.000 0.990 191 V HN 0.548 8.738 8.190 -0.000 0.000 0.453 192 P HA 0.285 4.705 4.420 -0.000 0.000 0.271 192 P C -1.314 176.111 177.300 0.208 0.000 1.218 192 P CA 0.126 63.270 63.100 0.074 0.000 0.780 192 P CB 0.331 32.039 31.700 0.013 0.000 0.901 193 Y N 2.246 122.588 120.300 0.071 0.000 2.644 193 Y HA 0.828 5.378 4.550 -0.001 0.000 0.338 193 Y C -1.717 174.115 175.900 -0.114 0.000 1.119 193 Y CA -1.606 56.517 58.100 0.039 0.000 1.060 193 Y CB 0.851 39.261 38.460 -0.085 0.000 1.294 193 Y HN 0.333 8.613 8.280 -0.000 0.000 0.472 194 L N -0.986 119.986 121.223 -0.419 0.000 2.720 194 L HA 0.707 5.046 4.340 -0.001 0.000 0.261 194 L C -2.019 174.469 176.870 -0.637 0.000 1.046 194 L CA -1.162 53.252 54.840 -0.712 0.000 0.886 194 L CB 1.860 43.416 42.059 -0.839 0.000 1.493 194 L HN 0.835 9.065 8.230 -0.000 0.000 0.407 195 H N -0.659 118.230 119.070 -0.302 0.000 2.495 195 H HA 0.815 5.370 4.556 -0.001 0.000 0.348 195 H C -0.823 174.363 175.328 -0.236 0.000 1.113 195 H CA -0.374 55.546 56.048 -0.213 0.000 1.195 195 H CB 2.005 31.649 29.762 -0.197 0.000 1.521 195 H HN 0.834 9.114 8.280 -0.000 0.000 0.509 196 S N 2.265 117.948 115.700 -0.027 0.000 2.532 196 S HA 0.343 4.812 4.470 -0.001 0.000 0.301 196 S C -0.952 173.640 174.600 -0.013 0.000 1.083 196 S CA -0.758 57.458 58.200 0.027 0.000 1.025 196 S CB 0.473 63.768 63.200 0.159 0.000 1.056 196 S HN 0.472 8.782 8.310 -0.000 0.000 0.494 197 Y N 2.354 122.686 120.300 0.054 0.000 2.717 197 Y HA 0.143 4.693 4.550 -0.000 0.000 0.330 197 Y C 1.683 177.612 175.900 0.049 0.000 1.217 197 Y CA 0.748 58.873 58.100 0.042 0.000 1.506 197 Y CB 0.339 38.816 38.460 0.030 0.000 1.268 197 Y HN 0.885 9.165 8.280 -0.000 0.000 0.561 198 A N 1.880 124.820 122.820 0.201 0.000 2.024 198 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 198 A C 2.194 179.847 177.584 0.115 0.000 1.164 198 A CA 1.821 53.936 52.037 0.130 0.000 0.643 198 A CB -0.893 18.170 19.000 0.105 0.000 0.806 198 A HN 0.782 8.932 8.150 -0.000 0.000 0.451 199 S N -0.337 115.442 115.700 0.131 0.000 2.522 199 S HA -0.037 4.433 4.470 -0.001 0.000 0.227 199 S C 0.908 175.546 174.600 0.063 0.000 0.986 199 S CA 0.585 58.831 58.200 0.077 0.000 0.929 199 S CB -0.429 62.799 63.200 0.046 0.000 0.769 199 S HN 0.441 8.751 8.310 -0.000 0.000 0.529 200 N N 1.906 120.664 118.700 0.097 0.000 3.124 200 N HA 0.441 5.181 4.740 -0.001 0.000 0.284 200 N C 1.052 176.580 175.510 0.031 0.000 1.209 200 N CA 0.312 53.402 53.050 0.066 0.000 1.149 200 N CB 0.279 38.835 38.487 0.116 0.000 1.434 200 N HN 0.387 8.767 8.380 -0.000 0.000 0.529 201 A N 1.252 124.081 122.820 0.015 0.000 1.917 201 A HA -0.230 4.090 4.320 -0.001 0.000 0.219 201 A C 2.286 179.851 177.584 -0.032 0.000 1.182 201 A CA 2.231 54.269 52.037 0.001 0.000 0.633 201 A CB -0.704 18.297 19.000 0.002 0.000 0.819 201 A HN 0.658 8.808 8.150 -0.000 0.000 0.448 202 S N 0.062 115.733 115.700 -0.048 0.000 2.368 202 S HA 0.043 4.512 4.470 -0.001 0.000 0.224 202 S C 2.134 176.635 174.600 -0.165 0.000 1.029 202 S CA 1.439 59.589 58.200 -0.083 0.000 0.988 202 S CB -0.755 62.404 63.200 -0.068 0.000 0.838 202 S HN 0.968 9.278 8.310 -0.000 0.000 0.462 203 A N 1.967 124.671 122.820 -0.193 0.000 1.902 203 A HA 0.122 4.442 4.320 -0.001 0.000 0.217 203 A C 2.261 179.500 177.584 -0.575 0.000 1.181 203 A CA 1.411 53.179 52.037 -0.447 0.000 0.623 203 A CB -0.867 17.970 19.000 -0.272 0.000 0.818 203 A HN 0.594 8.744 8.150 -0.000 0.000 0.443 204 I N -0.841 119.628 120.570 -0.168 0.000 2.179 204 I HA -0.289 3.881 4.170 -0.001 0.000 0.242 204 I C 2.769 178.862 176.117 -0.040 0.000 1.088 204 I CA 1.434 62.735 61.300 0.002 0.000 1.357 204 I CB -0.376 37.657 38.000 0.056 0.000 1.051 204 I HN 0.296 8.506 8.210 -0.000 0.000 0.409 205 R N 0.177 120.632 120.500 -0.075 0.000 2.105 205 R HA -0.207 4.132 4.340 -0.001 0.000 0.239 205 R C 2.284 178.534 176.300 -0.084 0.000 1.135 205 R CA 1.383 57.451 56.100 -0.055 0.000 0.967 205 R CB -0.514 29.755 30.300 -0.052 0.000 0.861 205 R HN 0.261 8.531 8.270 -0.000 0.000 0.442 206 L N -0.074 121.027 121.223 -0.202 0.000 2.027 206 L HA -0.158 4.182 4.340 -0.001 0.000 0.206 206 L C 1.807 178.604 176.870 -0.122 0.000 1.074 206 L CA 1.730 56.441 54.840 -0.216 0.000 0.745 206 L CB -0.600 41.246 42.059 -0.354 0.000 0.898 206 L HN 0.048 8.278 8.230 -0.000 0.000 0.433 207 Y N 0.606 120.874 120.300 -0.053 0.000 2.181 207 Y HA -0.197 4.353 4.550 0.000 0.000 0.288 207 Y C 2.540 178.531 175.900 0.151 0.000 1.146 207 Y CA 1.408 59.478 58.100 -0.049 0.000 1.164 207 Y CB -1.057 37.223 38.460 -0.300 0.000 0.982 207 Y HN 0.347 8.627 8.280 -0.000 0.000 0.515 208 E N -0.520 119.816 120.200 0.227 0.000 2.097 208 E HA -0.252 4.097 4.350 -0.001 0.000 0.196 208 E C 2.411 179.083 176.600 0.120 0.000 1.000 208 E CA 1.637 58.135 56.400 0.163 0.000 0.804 208 E CB -0.353 29.401 29.700 0.090 0.000 0.740 208 E HN 0.304 8.664 8.360 -0.000 0.000 0.454 209 S N 0.254 116.003 115.700 0.082 0.000 2.402 209 S HA -0.058 4.412 4.470 -0.001 0.000 0.229 209 S C 1.671 176.307 174.600 0.060 0.000 1.021 209 S CA 0.666 58.895 58.200 0.047 0.000 0.974 209 S CB 0.006 63.214 63.200 0.013 0.000 0.800 209 S HN 0.171 8.481 8.310 -0.000 0.000 0.484 210 L N 0.438 121.736 121.223 0.123 0.000 2.611 210 L HA 0.330 4.670 4.340 -0.001 0.000 0.229 210 L C 1.558 178.493 176.870 0.109 0.000 1.137 210 L CA 0.415 55.333 54.840 0.130 0.000 0.901 210 L CB -0.087 42.089 42.059 0.195 0.000 1.098 210 L HN 0.548 8.778 8.230 -0.000 0.000 0.456 211 G N -0.767 108.087 108.800 0.089 0.000 2.168 211 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.197 211 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.197 211 G C 0.032 174.852 174.900 -0.133 0.000 0.997 211 G CA -0.684 44.385 45.100 -0.052 0.000 0.658 211 G HN 0.114 8.403 8.290 -0.000 0.000 0.513 212 F N 1.690 121.647 119.950 0.012 0.000 2.389 212 F HA 0.656 5.182 4.527 -0.001 0.000 0.337 212 F C 1.222 177.028 175.800 0.011 0.000 1.112 212 F CA -0.033 57.968 58.000 0.002 0.000 1.192 212 F CB 0.839 39.839 39.000 -0.000 0.000 1.185 212 F HN 0.378 8.678 8.300 -0.000 0.000 0.552 213 R N 1.637 122.225 120.500 0.147 0.000 2.803 213 R HA 0.873 5.212 4.340 -0.001 0.000 0.276 213 R C -1.278 175.073 176.300 0.086 0.000 0.978 213 R CA -1.258 54.896 56.100 0.091 0.000 0.939 213 R CB 1.432 31.751 30.300 0.032 0.000 1.179 213 R HN 0.655 8.925 8.270 -0.000 0.000 0.472 214 A N 2.345 125.203 122.820 0.063 0.000 2.492 214 A HA 0.125 4.445 4.320 -0.001 0.000 0.254 214 A C 0.638 178.232 177.584 0.017 0.000 1.091 214 A CA -0.312 51.752 52.037 0.045 0.000 0.768 214 A CB 0.284 19.308 19.000 0.040 0.000 1.028 214 A HN 0.964 9.114 8.150 -0.000 0.000 0.498 215 R N 1.584 122.084 120.500 0.000 0.000 2.072 215 R HA 0.142 4.482 4.340 -0.001 0.000 0.214 215 R C 0.507 176.786 176.300 -0.035 0.000 1.168 215 R CA 1.176 57.252 56.100 -0.040 0.000 1.020 215 R CB 0.185 30.432 30.300 -0.088 0.000 0.914 215 R HN 0.941 9.211 8.270 -0.000 0.000 0.449 216 R N -1.560 118.931 120.500 -0.015 0.000 2.712 216 R HA 0.520 4.860 4.340 -0.001 0.000 0.272 216 R C -1.504 174.814 176.300 0.030 0.000 1.032 216 R CA -0.600 55.500 56.100 0.000 0.000 0.874 216 R CB 0.924 31.214 30.300 -0.015 0.000 1.256 216 R HN 0.052 8.322 8.270 -0.000 0.000 0.468 220 A N 2.357 125.242 122.820 0.108 0.000 2.260 220 A HA 0.735 5.054 4.320 -0.001 0.000 0.308 220 A C 0.144 177.985 177.584 0.427 0.000 1.254 220 A CA -0.444 51.752 52.037 0.265 0.000 0.874 220 A CB 0.334 19.428 19.000 0.158 0.000 1.153 220 A HN 0.689 8.839 8.150 -0.000 0.000 0.527 221 T N 3.171 117.945 114.554 0.366 0.000 2.779 221 T HA 0.453 4.803 4.350 -0.001 0.000 0.280 221 T C -0.688 173.965 174.700 -0.078 0.000 0.987 221 T CA -0.222 61.968 62.100 0.149 0.000 0.966 221 T CB 0.930 69.840 68.868 0.070 0.000 0.933 221 T HN 0.516 8.756 8.240 -0.000 0.000 0.442 222 L N 5.290 126.190 121.223 -0.537 0.000 2.265 222 L HA 0.589 4.929 4.340 -0.001 0.000 0.289 222 L C -1.174 175.423 176.870 -0.456 0.000 1.033 222 L CA -0.407 53.849 54.840 -0.975 0.000 0.814 222 L CB 0.253 41.337 42.059 -1.625 0.000 1.203 222 L HN 0.583 8.813 8.230 -0.000 0.000 0.423 223 L N 5.011 126.035 121.223 -0.331 0.000 2.325 223 L HA 0.839 5.179 4.340 -0.001 0.000 0.278 223 L C 0.542 177.305 176.870 -0.177 0.000 1.023 223 L CA -0.491 54.237 54.840 -0.187 0.000 0.811 223 L CB 1.714 43.708 42.059 -0.109 0.000 1.249 223 L HN 0.761 8.991 8.230 -0.000 0.000 0.431 224 G N 1.188 109.911 108.800 -0.128 0.000 3.042 224 G HA2 0.372 4.331 3.960 -0.001 0.000 0.278 224 G HA3 0.372 4.331 3.960 -0.001 0.000 0.278 224 G C -1.448 173.414 174.900 -0.063 0.000 1.371 224 G CA -0.639 44.403 45.100 -0.096 0.000 1.009 224 G HN 0.417 8.707 8.290 -0.000 0.000 0.523 225 K N 0.429 120.800 120.400 -0.048 0.000 2.350 225 K HA 0.302 4.622 4.320 -0.001 0.000 0.279 225 K C 0.826 177.407 176.600 -0.031 0.000 1.027 225 K CA -0.152 56.115 56.287 -0.034 0.000 0.969 225 K CB 0.479 32.964 32.500 -0.026 0.000 0.954 225 K HN 0.598 8.848 8.250 -0.000 0.000 0.474 226 S N 2.140 117.825 115.700 -0.026 0.000 2.560 226 S HA 0.139 4.609 4.470 -0.001 0.000 0.284 226 S C 0.635 175.224 174.600 -0.019 0.000 1.327 226 S CA -0.404 57.782 58.200 -0.023 0.000 1.055 226 S CB 0.824 64.013 63.200 -0.019 0.000 0.868 226 S HN 0.726 9.036 8.310 -0.000 0.000 0.506 227 T N 0.000 114.543 114.554 -0.018 0.000 3.816 227 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 227 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 227 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 227 T HN 0.000 8.240 8.240 -0.000 0.000 0.658