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 1g21_1_G DATA FIRST_RESID 2 DATA SEQUENCE MRQCAIYGKG GIGKSTTTQN LVAALAEMGK KVMIVGCDPK ADSTRLILHS DATA SEQUENCE KAQNTIMEMA AEAGTVEDLE LEDVLKAGYG GVKCVESGGP EPGVGCAGRG DATA SEQUENCE VITAINFLEE EGAYEDDLDF VFYDVXGDVV CGGFAMPIRE NKAQEIYIVC DATA SEQUENCE SGEMMAMYAA NNISKGIVKY ANSGSVRLGG LICNSRNTDR EDELIIALAN DATA SEQUENCE KLGTQMIHFV PRDNVVQRAE IRRMTVIEYD PKAKQADEYR ALARKVVDNK DATA SEQUENCE LLVIPNPITM DELEELLME 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 2 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 2 M C 0.000 176.139 176.300 -0.269 0.000 1.140 2 M CA 0.000 55.170 55.300 -0.217 0.000 0.988 2 M CB 0.000 32.512 32.600 -0.146 0.000 1.302 3 R N 3.664 123.903 120.500 -0.436 0.000 2.459 3 R HA 0.513 4.853 4.340 -0.001 0.000 0.281 3 R C -0.779 175.336 176.300 -0.309 0.000 1.050 3 R CA -0.375 55.499 56.100 -0.376 0.000 1.055 3 R CB 0.863 30.867 30.300 -0.493 0.000 1.045 3 R HN 0.725 8.995 8.270 -0.000 0.000 0.495 4 Q N 1.363 121.057 119.800 -0.177 0.000 2.321 4 Q HA 0.481 4.820 4.340 -0.001 0.000 0.270 4 Q C -1.010 174.952 176.000 -0.062 0.000 1.032 4 Q CA -0.733 55.001 55.803 -0.115 0.000 0.784 4 Q CB 2.112 30.872 28.738 0.037 0.000 1.264 4 Q HN 0.581 8.851 8.270 -0.000 0.000 0.448 5 C N 0.900 120.080 119.300 -0.200 0.000 2.507 5 C HA 0.955 5.415 4.460 -0.001 0.000 0.319 5 C C 0.235 175.312 174.990 0.144 0.000 1.208 5 C CA -0.857 58.124 59.018 -0.062 0.000 1.619 5 C CB 0.984 28.658 27.740 -0.109 0.000 2.230 5 C HN 0.941 9.171 8.230 -0.000 0.000 0.492 6 A N 2.158 125.144 122.820 0.276 0.000 2.320 6 A HA 0.913 5.233 4.320 -0.001 0.000 0.334 6 A C -0.835 177.014 177.584 0.442 0.000 1.147 6 A CA -0.500 51.781 52.037 0.406 0.000 0.820 6 A CB 0.536 19.783 19.000 0.413 0.000 1.218 6 A HN 0.871 9.021 8.150 -0.000 0.000 0.482 7 I N 1.560 122.378 120.570 0.414 0.000 2.439 7 I HA 0.382 4.551 4.170 -0.001 0.000 0.285 7 I C -1.327 174.956 176.117 0.276 0.000 1.021 7 I CA -0.189 61.337 61.300 0.378 0.000 1.091 7 I CB 1.331 39.517 38.000 0.310 0.000 1.242 7 I HN 0.671 8.881 8.210 -0.000 0.000 0.439 8 Y N 3.759 124.129 120.300 0.116 0.000 2.650 8 Y HA 0.908 5.458 4.550 -0.001 0.000 0.331 8 Y C 0.740 176.674 175.900 0.056 0.000 1.082 8 Y CA -0.762 57.380 58.100 0.069 0.000 1.171 8 Y CB 2.122 40.608 38.460 0.043 0.000 1.326 8 Y HN 0.580 8.860 8.280 -0.000 0.000 0.513 9 G N 0.365 109.289 108.800 0.207 0.000 2.320 9 G HA2 0.293 4.252 3.960 -0.001 0.000 0.297 9 G HA3 0.293 4.252 3.960 -0.001 0.000 0.297 9 G C -2.040 172.903 174.900 0.072 0.000 1.344 9 G CA -1.290 43.881 45.100 0.118 0.000 0.851 9 G HN 0.562 8.852 8.290 -0.000 0.000 0.567 10 K N 0.370 120.802 120.400 0.053 0.000 2.258 10 K HA 0.583 4.902 4.320 -0.001 0.000 0.284 10 K C 0.820 177.428 176.600 0.014 0.000 1.051 10 K CA 0.227 56.536 56.287 0.037 0.000 0.923 10 K CB 0.830 33.361 32.500 0.051 0.000 1.046 10 K HN 1.121 9.371 8.250 -0.000 0.000 0.474 11 G N 2.460 111.256 108.800 -0.007 0.000 2.138 11 G HA2 0.260 4.219 3.960 -0.001 0.000 0.244 11 G HA3 0.260 4.219 3.960 -0.001 0.000 0.244 11 G C 0.830 175.726 174.900 -0.008 0.000 1.166 11 G CA 0.235 45.322 45.100 -0.020 0.000 0.902 11 G HN 1.266 9.556 8.290 -0.000 0.000 0.460 12 G N 1.291 110.085 108.800 -0.010 0.000 2.130 12 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.216 12 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.216 12 G C 0.811 175.711 174.900 -0.000 0.000 0.999 12 G CA 0.647 45.743 45.100 -0.006 0.000 0.686 12 G HN 1.742 10.032 8.290 -0.000 0.000 0.515 13 I N -4.467 116.105 120.570 0.003 0.000 4.456 13 I HA 0.615 4.785 4.170 -0.001 0.000 0.329 13 I C 1.246 177.365 176.117 0.003 0.000 1.313 13 I CA 0.502 61.805 61.300 0.006 0.000 1.205 13 I CB 1.087 39.097 38.000 0.016 0.000 1.179 13 I HN 1.134 9.344 8.210 -0.000 0.000 0.419 14 G N 2.355 111.157 108.800 0.003 0.000 2.192 14 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.152 14 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.152 14 G C 0.371 175.273 174.900 0.003 0.000 1.057 14 G CA 0.004 45.106 45.100 0.003 0.000 0.748 14 G HN 0.292 8.582 8.290 -0.000 0.000 0.488 15 K N 0.862 121.262 120.400 0.000 0.000 1.967 15 K HA -0.051 4.269 4.320 -0.001 0.000 0.212 15 K C 2.877 179.461 176.600 -0.026 0.000 1.044 15 K CA 1.896 58.185 56.287 0.003 0.000 0.942 15 K CB -0.419 32.081 32.500 0.000 0.000 0.726 15 K HN 0.431 8.681 8.250 -0.000 0.000 0.440 16 S N 1.437 117.114 115.700 -0.039 0.000 2.368 16 S HA -0.237 4.233 4.470 -0.001 0.000 0.226 16 S C 2.351 176.884 174.600 -0.111 0.000 1.044 16 S CA 2.246 60.409 58.200 -0.062 0.000 1.062 16 S CB -1.512 61.657 63.200 -0.052 0.000 0.931 16 S HN 0.488 8.798 8.310 -0.000 0.000 0.440 17 T N 0.275 114.758 114.554 -0.119 0.000 2.708 17 T HA -0.108 4.242 4.350 -0.001 0.000 0.266 17 T C 1.939 176.451 174.700 -0.314 0.000 1.037 17 T CA 1.814 63.797 62.100 -0.196 0.000 1.146 17 T CB -1.528 67.255 68.868 -0.143 0.000 0.865 17 T HN 0.460 8.700 8.240 -0.000 0.000 0.435 18 T N 1.868 116.305 114.554 -0.195 0.000 2.833 18 T HA -0.081 4.269 4.350 -0.001 0.000 0.269 18 T C 2.183 176.753 174.700 -0.217 0.000 1.054 18 T CA 1.720 63.720 62.100 -0.167 0.000 1.135 18 T CB -0.727 68.145 68.868 0.007 0.000 0.869 18 T HN 0.528 8.768 8.240 -0.000 0.000 0.466 19 T N 2.156 116.600 114.554 -0.185 0.000 2.735 19 T HA -0.054 4.295 4.350 -0.001 0.000 0.256 19 T C 2.179 176.695 174.700 -0.307 0.000 1.042 19 T CA 0.907 62.873 62.100 -0.223 0.000 1.147 19 T CB -0.282 68.522 68.868 -0.107 0.000 0.865 19 T HN 0.447 8.687 8.240 -0.000 0.000 0.421 20 Q N 1.024 120.675 119.800 -0.249 0.000 2.096 20 Q HA -0.099 4.240 4.340 -0.001 0.000 0.204 20 Q C 2.351 178.174 176.000 -0.296 0.000 0.982 20 Q CA 1.032 56.692 55.803 -0.237 0.000 0.850 20 Q CB -0.198 28.426 28.738 -0.189 0.000 0.901 20 Q HN 0.399 8.669 8.270 -0.000 0.000 0.422 21 N N 0.817 119.270 118.700 -0.412 0.000 2.142 21 N HA -0.116 4.623 4.740 -0.001 0.000 0.186 21 N C 1.805 177.119 175.510 -0.328 0.000 1.023 21 N CA 0.746 53.505 53.050 -0.484 0.000 0.852 21 N CB -0.114 37.702 38.487 -1.120 0.000 0.998 21 N HN 0.239 8.619 8.380 -0.000 0.000 0.424 22 L N 1.411 122.427 121.223 -0.344 0.000 2.083 22 L HA -0.119 4.221 4.340 -0.001 0.000 0.209 22 L C 2.114 178.751 176.870 -0.388 0.000 1.083 22 L CA 1.056 55.700 54.840 -0.327 0.000 0.752 22 L CB -0.055 41.766 42.059 -0.396 0.000 0.899 22 L HN 0.009 8.239 8.230 -0.000 0.000 0.433 23 V N -3.432 116.223 119.914 -0.432 0.000 2.788 23 V HA 0.052 4.172 4.120 -0.001 0.000 0.251 23 V C 2.546 178.552 176.094 -0.147 0.000 1.068 23 V CA 1.037 63.131 62.300 -0.344 0.000 1.090 23 V CB -1.146 30.487 31.823 -0.317 0.000 0.710 23 V HN 0.359 8.549 8.190 -0.000 0.000 0.467 24 A N 1.179 123.921 122.820 -0.130 0.000 1.877 24 A HA 0.027 4.346 4.320 -0.001 0.000 0.216 24 A C 2.466 180.076 177.584 0.043 0.000 1.186 24 A CA 2.415 54.446 52.037 -0.009 0.000 0.620 24 A CB -1.040 17.874 19.000 -0.144 0.000 0.822 24 A HN 0.879 9.029 8.150 -0.000 0.000 0.443 25 A N -1.121 121.671 122.820 -0.048 0.000 1.969 25 A HA 0.067 4.387 4.320 -0.001 0.000 0.218 25 A C 2.006 179.559 177.584 -0.051 0.000 1.169 25 A CA 1.503 53.521 52.037 -0.031 0.000 0.635 25 A CB -0.460 18.506 19.000 -0.057 0.000 0.810 25 A HN 0.415 8.565 8.150 -0.000 0.000 0.445 26 L N -0.695 120.462 121.223 -0.110 0.000 2.201 26 L HA -0.025 4.314 4.340 -0.001 0.000 0.212 26 L C 2.731 179.580 176.870 -0.037 0.000 1.105 26 L CA 1.507 56.276 54.840 -0.120 0.000 0.775 26 L CB -0.498 41.431 42.059 -0.216 0.000 0.913 26 L HN 0.390 8.620 8.230 -0.000 0.000 0.440 27 A N -1.044 121.772 122.820 -0.007 0.000 1.874 27 A HA -0.183 4.137 4.320 -0.001 0.000 0.214 27 A C 2.236 179.815 177.584 -0.008 0.000 1.189 27 A CA 1.223 53.261 52.037 0.001 0.000 0.615 27 A CB -0.506 18.508 19.000 0.022 0.000 0.830 27 A HN 0.387 8.537 8.150 -0.000 0.000 0.443 28 E N 0.013 120.234 120.200 0.035 0.000 2.147 28 E HA -0.204 4.145 4.350 -0.001 0.000 0.199 28 E C 1.757 178.361 176.600 0.006 0.000 1.005 28 E CA 1.773 58.193 56.400 0.033 0.000 0.810 28 E CB -0.308 29.430 29.700 0.063 0.000 0.736 28 E HN 0.621 8.981 8.360 -0.000 0.000 0.460 29 M N -0.772 118.828 119.600 0.001 0.000 2.659 29 M HA 0.114 4.593 4.480 -0.001 0.000 0.243 29 M C 0.954 177.261 176.300 0.012 0.000 1.111 29 M CA 0.772 56.074 55.300 0.004 0.000 1.070 29 M CB 0.127 32.725 32.600 -0.003 0.000 1.525 29 M HN 0.305 8.595 8.290 -0.000 0.000 0.517 30 G N 2.083 110.885 108.800 0.003 0.000 2.298 30 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.287 30 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.287 30 G C -0.359 174.559 174.900 0.031 0.000 1.075 30 G CA -0.063 45.040 45.100 0.005 0.000 0.960 30 G HN 0.325 8.615 8.290 -0.000 0.000 0.502 31 K N 0.076 120.503 120.400 0.046 0.000 2.203 31 K HA 0.401 4.721 4.320 -0.001 0.000 0.251 31 K C 0.341 176.996 176.600 0.092 0.000 0.944 31 K CA -0.827 55.519 56.287 0.100 0.000 0.829 31 K CB 1.502 34.099 32.500 0.162 0.000 1.125 31 K HN 0.199 8.449 8.250 -0.000 0.000 0.430 32 K N 2.230 122.693 120.400 0.105 0.000 2.262 32 K HA 0.255 4.575 4.320 -0.001 0.000 0.288 32 K C -0.251 176.430 176.600 0.135 0.000 1.090 32 K CA -0.316 56.023 56.287 0.087 0.000 0.918 32 K CB 0.432 32.969 32.500 0.062 0.000 1.139 32 K HN 0.222 8.472 8.250 -0.000 0.000 0.462 33 V N 3.768 123.758 119.914 0.126 0.000 2.864 33 V HA 0.506 4.625 4.120 -0.001 0.000 0.314 33 V C -0.330 175.840 176.094 0.127 0.000 1.073 33 V CA -1.049 61.358 62.300 0.179 0.000 0.956 33 V CB 2.190 34.128 31.823 0.192 0.000 1.023 33 V HN 0.734 8.924 8.190 -0.000 0.000 0.435 34 M N 3.934 123.622 119.600 0.146 0.000 2.457 34 M HA 0.678 5.157 4.480 -0.001 0.000 0.300 34 M C -1.975 174.377 176.300 0.087 0.000 1.141 34 M CA -0.473 54.883 55.300 0.093 0.000 0.901 34 M CB 1.966 34.616 32.600 0.084 0.000 1.687 34 M HN 0.576 8.866 8.290 -0.000 0.000 0.449 35 I N 4.852 125.453 120.570 0.051 0.000 2.382 35 I HA 0.375 4.545 4.170 -0.001 0.000 0.286 35 I C -0.942 175.185 176.117 0.016 0.000 1.002 35 I CA -0.941 60.383 61.300 0.040 0.000 1.135 35 I CB 1.767 39.782 38.000 0.026 0.000 1.288 35 I HN 0.347 8.557 8.210 -0.000 0.000 0.448 36 V N 5.302 125.205 119.914 -0.018 0.000 2.350 36 V HA 0.357 4.477 4.120 -0.001 0.000 0.276 36 V C 0.885 177.026 176.094 0.079 0.000 1.028 36 V CA -0.531 61.785 62.300 0.026 0.000 0.860 36 V CB 1.245 33.069 31.823 0.001 0.000 0.990 36 V HN 0.914 9.104 8.190 -0.000 0.000 0.453 37 G N 3.236 112.079 108.800 0.070 0.000 2.770 37 G HA2 0.181 4.140 3.960 -0.001 0.000 0.307 37 G HA3 0.181 4.140 3.960 -0.001 0.000 0.307 37 G C 0.449 175.405 174.900 0.092 0.000 0.863 37 G CA -0.264 44.877 45.100 0.069 0.000 1.595 37 G HN 0.867 9.157 8.290 -0.000 0.000 0.496 38 C N 2.344 121.719 119.300 0.126 0.000 2.289 38 C HA 0.191 4.651 4.460 -0.001 0.000 0.391 38 C C 0.542 175.657 174.990 0.208 0.000 1.304 38 C CA -0.772 58.339 59.018 0.154 0.000 1.679 38 C CB -1.789 26.055 27.740 0.174 0.000 1.885 38 C HN 0.660 8.890 8.230 -0.000 0.000 0.587 39 D N -0.102 120.388 120.400 0.149 0.000 2.787 39 D HA 0.272 4.912 4.640 -0.001 0.000 0.246 39 D C -2.075 174.295 176.300 0.117 0.000 1.150 39 D CA -1.710 52.377 54.000 0.146 0.000 0.864 39 D CB 2.335 43.161 40.800 0.044 0.000 1.481 39 D HN -0.153 8.217 8.370 -0.000 0.000 0.509 40 P HA -0.065 4.355 4.420 -0.000 0.000 0.218 40 P C 1.106 178.435 177.300 0.048 0.000 1.149 40 P CA 1.052 64.210 63.100 0.096 0.000 0.817 40 P CB 0.387 32.163 31.700 0.127 0.000 0.785 41 K N -0.443 119.976 120.400 0.032 0.000 2.074 41 K HA -0.063 4.256 4.320 -0.001 0.000 0.209 41 K C 0.950 177.556 176.600 0.010 0.000 1.048 41 K CA 1.343 57.637 56.287 0.012 0.000 0.926 41 K CB -0.694 31.805 32.500 -0.002 0.000 0.713 41 K HN 0.067 8.317 8.250 -0.000 0.000 0.444 42 A N 2.609 125.437 122.820 0.014 0.000 2.917 42 A HA -0.113 4.207 4.320 -0.001 0.000 0.286 42 A C 0.249 177.832 177.584 -0.001 0.000 1.435 42 A CA 0.990 53.032 52.037 0.009 0.000 0.737 42 A CB -1.876 17.127 19.000 0.006 0.000 1.049 42 A HN 0.616 8.765 8.150 -0.000 0.000 0.483 43 D N -1.567 118.830 120.400 -0.005 0.000 2.520 43 D HA 0.175 4.815 4.640 -0.001 0.000 0.223 43 D C 1.051 177.338 176.300 -0.021 0.000 1.186 43 D CA 0.635 54.626 54.000 -0.015 0.000 0.821 43 D CB -0.727 40.061 40.800 -0.020 0.000 1.072 43 D HN 0.291 8.661 8.370 -0.000 0.000 0.518 44 S N 0.262 115.955 115.700 -0.012 0.000 2.465 44 S HA -0.115 4.354 4.470 -0.001 0.000 0.241 44 S C 1.829 176.415 174.600 -0.025 0.000 1.000 44 S CA 1.915 60.106 58.200 -0.015 0.000 0.964 44 S CB -0.188 63.016 63.200 0.007 0.000 0.763 44 S HN 0.677 8.987 8.310 -0.000 0.000 0.512 45 T N -0.792 113.749 114.554 -0.022 0.000 2.958 45 T HA 0.166 4.516 4.350 -0.001 0.000 0.256 45 T C 1.512 176.193 174.700 -0.032 0.000 0.983 45 T CA -0.114 61.969 62.100 -0.028 0.000 0.924 45 T CB -0.207 68.652 68.868 -0.016 0.000 1.136 45 T HN 0.359 8.599 8.240 -0.000 0.000 0.506 46 R N 1.468 121.955 120.500 -0.023 0.000 2.244 46 R HA -0.064 4.276 4.340 -0.001 0.000 0.252 46 R C 1.482 177.780 176.300 -0.003 0.000 1.177 46 R CA 1.504 57.598 56.100 -0.011 0.000 1.004 46 R CB -0.825 29.467 30.300 -0.013 0.000 0.873 46 R HN 0.472 8.742 8.270 -0.000 0.000 0.469 47 L N 0.019 121.224 121.223 -0.031 0.000 2.416 47 L HA 0.115 4.454 4.340 -0.001 0.000 0.216 47 L C 2.203 179.042 176.870 -0.052 0.000 1.098 47 L CA 0.110 54.933 54.840 -0.029 0.000 0.840 47 L CB 0.049 42.058 42.059 -0.083 0.000 0.981 47 L HN 0.164 8.394 8.230 -0.000 0.000 0.462 48 I N -0.619 119.895 120.570 -0.094 0.000 3.035 48 I HA -0.095 4.074 4.170 -0.001 0.000 0.271 48 I C 2.000 177.977 176.117 -0.234 0.000 1.190 48 I CA 0.983 62.200 61.300 -0.138 0.000 1.472 48 I CB 0.196 38.151 38.000 -0.074 0.000 1.116 48 I HN 0.247 8.457 8.210 -0.000 0.000 0.443 49 L N -0.682 120.446 121.223 -0.159 0.000 2.463 49 L HA 0.128 4.467 4.340 -0.001 0.000 0.219 49 L C 0.173 177.010 176.870 -0.054 0.000 1.088 49 L CA 0.462 55.220 54.840 -0.137 0.000 0.849 49 L CB -0.055 41.977 42.059 -0.044 0.000 1.012 49 L HN 0.323 8.553 8.230 -0.000 0.000 0.468 50 H N -0.257 118.807 119.070 -0.010 0.000 3.117 50 H HA -0.105 4.450 4.556 -0.001 0.000 0.302 50 H C -0.199 175.120 175.328 -0.015 0.000 1.331 50 H CA 0.014 56.053 56.048 -0.014 0.000 1.206 50 H CB -1.209 28.555 29.762 0.003 0.000 1.353 50 H HN 0.483 8.763 8.280 -0.000 0.000 0.427 51 S N -1.910 113.845 115.700 0.092 0.000 2.654 51 S HA 0.265 4.734 4.470 -0.001 0.000 0.267 51 S C 0.644 175.254 174.600 0.017 0.000 1.151 51 S CA -0.743 57.482 58.200 0.041 0.000 0.873 51 S CB 1.447 64.671 63.200 0.040 0.000 1.181 51 S HN 0.134 8.444 8.310 -0.000 0.000 0.489 52 K N 0.736 121.140 120.400 0.006 0.000 2.032 52 K HA 0.373 4.692 4.320 -0.001 0.000 0.209 52 K C 0.802 177.402 176.600 -0.001 0.000 1.048 52 K CA 1.513 57.799 56.287 -0.002 0.000 0.927 52 K CB -0.389 32.109 32.500 -0.004 0.000 0.712 52 K HN 1.160 9.410 8.250 -0.000 0.000 0.441 53 A N 0.268 123.089 122.820 0.002 0.000 2.598 53 A HA 0.199 4.519 4.320 -0.001 0.000 0.302 53 A C -1.394 176.190 177.584 0.000 0.000 0.955 53 A CA -0.908 51.129 52.037 0.000 0.000 0.734 53 A CB 0.557 19.555 19.000 -0.003 0.000 1.192 53 A HN 0.038 8.188 8.150 -0.000 0.000 0.391 54 Q N 0.637 120.437 119.800 -0.001 0.000 2.179 54 Q HA 0.465 4.805 4.340 -0.001 0.000 0.174 54 Q C 0.054 176.049 176.000 -0.008 0.000 1.044 54 Q CA -0.260 55.542 55.803 -0.002 0.000 1.105 54 Q CB 0.325 29.063 28.738 -0.001 0.000 1.213 54 Q HN 0.752 9.022 8.270 -0.000 0.000 0.574 55 N N 0.574 119.267 118.700 -0.011 0.000 2.420 55 N HA 0.056 4.796 4.740 -0.001 0.000 0.262 55 N C -0.547 174.945 175.510 -0.031 0.000 1.144 55 N CA 0.067 53.105 53.050 -0.020 0.000 0.952 55 N CB 0.621 39.096 38.487 -0.021 0.000 1.081 55 N HN 0.523 8.903 8.380 -0.000 0.000 0.480 56 T N 0.985 115.517 114.554 -0.036 0.000 2.766 56 T HA 0.246 4.596 4.350 -0.001 0.000 0.295 56 T C 1.906 176.552 174.700 -0.090 0.000 1.024 56 T CA -0.508 61.563 62.100 -0.048 0.000 1.018 56 T CB 0.491 69.337 68.868 -0.037 0.000 1.002 56 T HN 0.339 8.579 8.240 -0.000 0.000 0.532 57 I N 1.342 121.840 120.570 -0.121 0.000 2.110 57 I HA -0.136 4.033 4.170 -0.001 0.000 0.236 57 I C 2.613 178.604 176.117 -0.210 0.000 1.068 57 I CA 1.108 62.268 61.300 -0.234 0.000 1.333 57 I CB -0.361 37.462 38.000 -0.295 0.000 1.054 57 I HN 0.574 8.784 8.210 -0.000 0.000 0.402 58 M N 0.153 119.666 119.600 -0.146 0.000 2.267 58 M HA -0.205 4.275 4.480 -0.001 0.000 0.263 58 M C 2.076 178.325 176.300 -0.085 0.000 1.063 58 M CA 1.540 56.774 55.300 -0.111 0.000 1.090 58 M CB -1.243 31.312 32.600 -0.074 0.000 1.392 58 M HN 0.291 8.581 8.290 -0.000 0.000 0.422 59 E N -0.957 119.199 120.200 -0.073 0.000 2.112 59 E HA -0.136 4.213 4.350 -0.001 0.000 0.190 59 E C 1.875 178.440 176.600 -0.059 0.000 0.979 59 E CA 0.698 57.067 56.400 -0.053 0.000 0.814 59 E CB 0.157 29.833 29.700 -0.040 0.000 0.762 59 E HN 0.204 8.564 8.360 -0.000 0.000 0.460 60 M N 0.677 120.229 119.600 -0.079 0.000 2.064 60 M HA -0.033 4.447 4.480 -0.001 0.000 0.260 60 M C 2.130 178.380 176.300 -0.084 0.000 1.073 60 M CA 1.582 56.836 55.300 -0.078 0.000 1.124 60 M CB -0.688 31.853 32.600 -0.098 0.000 1.326 60 M HN 0.090 8.380 8.290 -0.000 0.000 0.410 61 A N -0.518 122.227 122.820 -0.125 0.000 2.084 61 A HA -0.043 4.277 4.320 -0.001 0.000 0.221 61 A C 2.268 179.812 177.584 -0.066 0.000 1.161 61 A CA 2.000 53.969 52.037 -0.113 0.000 0.653 61 A CB -1.218 17.683 19.000 -0.165 0.000 0.802 61 A HN 0.585 8.735 8.150 -0.000 0.000 0.457 62 A N -0.709 122.077 122.820 -0.058 0.000 1.968 62 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 62 A C 1.962 179.528 177.584 -0.029 0.000 1.169 62 A CA 1.485 53.500 52.037 -0.038 0.000 0.638 62 A CB -0.388 18.591 19.000 -0.034 0.000 0.812 62 A HN 0.624 8.774 8.150 -0.000 0.000 0.446 63 E N -0.239 119.943 120.200 -0.031 0.000 2.077 63 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 63 E C 1.819 178.408 176.600 -0.017 0.000 0.989 63 E CA 0.921 57.308 56.400 -0.022 0.000 0.800 63 E CB -0.167 29.519 29.700 -0.022 0.000 0.746 63 E HN 0.555 8.915 8.360 -0.000 0.000 0.452 64 A N -0.375 122.433 122.820 -0.020 0.000 2.259 64 A HA 0.222 4.542 4.320 -0.001 0.000 0.208 64 A C 1.621 179.200 177.584 -0.007 0.000 1.201 64 A CA 1.084 53.114 52.037 -0.010 0.000 0.824 64 A CB -0.489 18.507 19.000 -0.007 0.000 0.838 64 A HN 0.460 8.610 8.150 -0.000 0.000 0.485 65 G N -0.749 108.044 108.800 -0.012 0.000 2.609 65 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.235 65 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.235 65 G C 0.750 175.646 174.900 -0.008 0.000 1.177 65 G CA 1.388 46.483 45.100 -0.008 0.000 0.707 65 G HN 1.971 10.261 8.290 -0.000 0.000 0.513 66 T N -2.631 111.920 114.554 -0.004 0.000 2.909 66 T HA 0.620 4.970 4.350 -0.001 0.000 0.299 66 T C 1.140 175.842 174.700 0.003 0.000 1.073 66 T CA 0.463 62.564 62.100 0.001 0.000 0.999 66 T CB 1.916 70.791 68.868 0.011 0.000 1.098 66 T HN 0.768 9.008 8.240 -0.000 0.000 0.477 67 V N 2.093 122.009 119.914 0.002 0.000 2.594 67 V HA -0.064 4.055 4.120 -0.001 0.000 0.253 67 V C 2.395 178.557 176.094 0.113 0.000 1.069 67 V CA 1.908 64.210 62.300 0.004 0.000 1.082 67 V CB -1.009 30.819 31.823 0.007 0.000 0.680 67 V HN 0.903 9.093 8.190 -0.000 0.000 0.469 68 E N -0.110 120.149 120.200 0.099 0.000 2.338 68 E HA -0.142 4.208 4.350 -0.001 0.000 0.197 68 E C 1.649 178.312 176.600 0.104 0.000 1.007 68 E CA 0.719 57.187 56.400 0.112 0.000 0.849 68 E CB -0.221 29.516 29.700 0.061 0.000 0.774 68 E HN 0.510 8.870 8.360 -0.000 0.000 0.506 69 D N -0.452 119.996 120.400 0.080 0.000 2.348 69 D HA 0.053 4.693 4.640 -0.001 0.000 0.211 69 D C 0.354 176.704 176.300 0.082 0.000 0.998 69 D CA 0.133 54.170 54.000 0.061 0.000 0.873 69 D CB 0.289 41.107 40.800 0.030 0.000 0.925 69 D HN 0.165 8.535 8.370 -0.000 0.000 0.524 70 L N 0.913 122.214 121.223 0.129 0.000 2.466 70 L HA 0.136 4.475 4.340 -0.001 0.000 0.257 70 L C 0.572 177.616 176.870 0.290 0.000 1.189 70 L CA -0.035 54.892 54.840 0.146 0.000 0.813 70 L CB 0.746 42.780 42.059 -0.043 0.000 1.118 70 L HN -0.189 8.041 8.230 -0.000 0.000 0.471 71 E N 1.429 121.778 120.200 0.248 0.000 2.248 71 E HA 0.113 4.462 4.350 -0.001 0.000 0.267 71 E C 0.338 177.097 176.600 0.266 0.000 0.877 71 E CA -0.662 55.863 56.400 0.208 0.000 0.759 71 E CB 2.247 32.002 29.700 0.092 0.000 1.182 71 E HN 0.382 8.742 8.360 -0.000 0.000 0.418 72 L N 3.205 124.548 121.223 0.200 0.000 2.129 72 L HA -0.215 4.125 4.340 -0.001 0.000 0.212 72 L C 1.584 178.522 176.870 0.114 0.000 1.087 72 L CA 2.053 57.007 54.840 0.190 0.000 0.757 72 L CB -0.229 41.838 42.059 0.012 0.000 0.896 72 L HN 0.561 8.791 8.230 -0.000 0.000 0.434 73 E N -0.763 119.479 120.200 0.070 0.000 2.160 73 E HA -0.226 4.124 4.350 -0.001 0.000 0.195 73 E C 1.669 178.293 176.600 0.041 0.000 0.991 73 E CA 1.332 57.757 56.400 0.042 0.000 0.810 73 E CB -0.183 29.534 29.700 0.029 0.000 0.742 73 E HN 0.614 8.974 8.360 -0.000 0.000 0.466 74 D N -0.161 120.269 120.400 0.051 0.000 2.194 74 D HA -0.066 4.574 4.640 -0.001 0.000 0.204 74 D C 1.880 178.188 176.300 0.013 0.000 0.964 74 D CA 0.815 54.830 54.000 0.026 0.000 0.846 74 D CB 0.398 41.208 40.800 0.017 0.000 0.962 74 D HN 0.079 8.449 8.370 -0.000 0.000 0.490 75 V N 0.668 120.598 119.914 0.027 0.000 2.795 75 V HA 0.054 4.174 4.120 -0.001 0.000 0.243 75 V C 1.159 177.267 176.094 0.024 0.000 1.069 75 V CA 0.072 62.377 62.300 0.008 0.000 1.089 75 V CB 0.410 32.224 31.823 -0.016 0.000 0.756 75 V HN 0.038 8.228 8.190 -0.000 0.000 0.471 76 L N 1.969 123.218 121.223 0.042 0.000 2.369 76 L HA 0.261 4.600 4.340 -0.001 0.000 0.279 76 L C 0.105 176.987 176.870 0.020 0.000 1.108 76 L CA 0.701 55.561 54.840 0.033 0.000 0.852 76 L CB 0.202 42.283 42.059 0.037 0.000 1.169 76 L HN 0.127 8.357 8.230 -0.000 0.000 0.452 77 K N 3.614 124.021 120.400 0.012 0.000 2.378 77 K HA 0.674 4.993 4.320 -0.001 0.000 0.252 77 K C -0.824 175.777 176.600 0.000 0.000 0.931 77 K CA -0.809 55.481 56.287 0.006 0.000 0.794 77 K CB 1.865 34.367 32.500 0.002 0.000 1.181 77 K HN 0.609 8.859 8.250 -0.000 0.000 0.425 78 A N 1.949 124.767 122.820 -0.003 0.000 2.371 78 A HA 0.596 4.916 4.320 -0.001 0.000 0.257 78 A C 0.256 177.828 177.584 -0.020 0.000 1.089 78 A CA 0.284 52.315 52.037 -0.010 0.000 0.794 78 A CB 0.752 19.745 19.000 -0.012 0.000 1.029 78 A HN 0.867 9.017 8.150 -0.000 0.000 0.488 79 G N -0.650 108.134 108.800 -0.027 0.000 3.264 79 G HA2 0.446 4.405 3.960 -0.001 0.000 0.168 79 G HA3 0.446 4.405 3.960 -0.001 0.000 0.168 79 G C -0.585 174.300 174.900 -0.025 0.000 1.145 79 G CA -0.497 44.576 45.100 -0.044 0.000 0.855 79 G HN 0.780 9.070 8.290 -0.000 0.000 0.629 80 Y N 1.108 121.316 120.300 -0.153 0.000 2.497 80 Y HA 0.341 4.890 4.550 -0.001 0.000 0.334 80 Y C 1.310 177.173 175.900 -0.063 0.000 1.199 80 Y CA 1.014 59.047 58.100 -0.111 0.000 1.425 80 Y CB 0.666 39.051 38.460 -0.125 0.000 1.291 80 Y HN 1.200 9.480 8.280 -0.000 0.000 0.562 81 G N 3.737 112.074 108.800 -0.772 0.000 2.390 81 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.299 81 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.299 81 G C 0.849 175.620 174.900 -0.214 0.000 1.002 81 G CA 0.729 45.502 45.100 -0.545 0.000 0.979 81 G HN 2.119 10.409 8.290 -0.000 0.000 0.513 82 G N -2.654 106.056 108.800 -0.150 0.000 2.341 82 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.292 82 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.292 82 G C 0.369 175.249 174.900 -0.034 0.000 1.021 82 G CA 0.404 45.460 45.100 -0.072 0.000 0.905 82 G HN 1.613 9.903 8.290 -0.000 0.000 0.508 83 V N 0.468 120.367 119.914 -0.024 0.000 2.432 83 V HA 0.303 4.422 4.120 -0.001 0.000 0.275 83 V C 0.876 176.976 176.094 0.011 0.000 1.043 83 V CA -0.446 61.860 62.300 0.009 0.000 0.925 83 V CB 1.442 33.280 31.823 0.025 0.000 0.985 83 V HN 0.374 8.564 8.190 -0.000 0.000 0.466 84 K N 3.565 123.979 120.400 0.024 0.000 2.218 84 K HA 0.567 4.886 4.320 -0.001 0.000 0.276 84 K C -0.890 175.725 176.600 0.024 0.000 1.022 84 K CA -0.323 55.978 56.287 0.023 0.000 0.946 84 K CB 0.892 33.412 32.500 0.034 0.000 1.000 84 K HN 0.696 8.946 8.250 -0.000 0.000 0.468 85 C N 2.261 121.571 119.300 0.016 0.000 2.481 85 C HA 0.550 5.009 4.460 -0.001 0.000 0.324 85 C C -0.453 174.547 174.990 0.018 0.000 1.170 85 C CA -1.077 57.949 59.018 0.014 0.000 1.361 85 C CB 0.534 28.273 27.740 -0.000 0.000 1.977 85 C HN 0.661 8.891 8.230 -0.000 0.000 0.459 86 V N -0.310 119.619 119.914 0.024 0.000 2.962 86 V HA 0.888 5.007 4.120 -0.001 0.000 0.313 86 V C -1.079 175.030 176.094 0.026 0.000 1.099 86 V CA -0.523 61.794 62.300 0.027 0.000 0.971 86 V CB 2.070 33.921 31.823 0.047 0.000 1.028 86 V HN 0.778 8.968 8.190 -0.000 0.000 0.430 87 E N 1.269 121.477 120.200 0.012 0.000 2.212 87 E HA 0.588 4.937 4.350 -0.001 0.000 0.268 87 E C 0.812 177.414 176.600 0.003 0.000 0.902 87 E CA 0.162 56.570 56.400 0.013 0.000 0.779 87 E CB 2.411 32.112 29.700 0.002 0.000 1.172 87 E HN 0.919 9.279 8.360 -0.000 0.000 0.409 88 S N 2.272 117.984 115.700 0.020 0.000 2.436 88 S HA 0.282 4.752 4.470 -0.001 0.000 0.228 88 S C 1.071 175.657 174.600 -0.024 0.000 1.014 88 S CA 0.275 58.477 58.200 0.003 0.000 0.950 88 S CB -0.616 62.599 63.200 0.025 0.000 0.784 88 S HN 1.025 9.335 8.310 -0.000 0.000 0.504 89 G N -0.629 108.166 108.800 -0.008 0.000 2.746 89 G HA2 0.430 4.390 3.960 -0.001 0.000 0.685 89 G HA3 0.430 4.390 3.960 -0.001 0.000 0.685 89 G C -0.187 174.712 174.900 -0.001 0.000 1.350 89 G CA -0.512 44.578 45.100 -0.016 0.000 0.837 89 G HN 1.689 9.979 8.290 -0.000 0.000 0.564 90 G N 0.022 108.822 108.800 0.001 0.000 2.411 90 G HA2 0.866 4.825 3.960 -0.001 0.000 0.295 90 G HA3 0.866 4.825 3.960 -0.001 0.000 0.295 90 G C -2.299 172.611 174.900 0.015 0.000 1.542 90 G CA 0.465 45.575 45.100 0.017 0.000 0.814 90 G HN 1.072 9.362 8.290 -0.000 0.000 0.557 91 P HA 0.423 4.843 4.420 -0.000 0.000 0.293 91 P C -0.318 176.995 177.300 0.022 0.000 1.298 91 P CA -0.050 63.060 63.100 0.016 0.000 0.757 91 P CB 1.130 32.841 31.700 0.018 0.000 1.262 92 E N -0.625 119.585 120.200 0.017 0.000 2.254 92 E HA 0.392 4.742 4.350 -0.001 0.000 0.258 92 E C -2.224 174.388 176.600 0.020 0.000 1.033 92 E CA -1.869 54.541 56.400 0.016 0.000 0.893 92 E CB -0.578 29.128 29.700 0.009 0.000 1.204 92 E HN 0.316 8.676 8.360 -0.000 0.000 0.425 93 P HA 0.069 4.489 4.420 -0.000 0.000 0.261 93 P C -0.392 176.918 177.300 0.017 0.000 1.203 93 P CA 0.980 64.090 63.100 0.017 0.000 0.767 93 P CB 0.161 31.868 31.700 0.011 0.000 0.785 94 G N 1.616 110.429 108.800 0.021 0.000 2.401 94 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.283 94 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.283 94 G C -0.321 174.589 174.900 0.018 0.000 1.117 94 G CA -0.220 44.892 45.100 0.019 0.000 1.051 94 G HN 0.675 8.965 8.290 -0.000 0.000 0.510 95 V N -1.021 118.906 119.914 0.021 0.000 2.841 95 V HA 0.620 4.739 4.120 -0.001 0.000 0.251 95 V C 0.666 176.771 176.094 0.019 0.000 1.757 95 V CA 0.723 63.033 62.300 0.017 0.000 0.865 95 V CB 1.186 33.016 31.823 0.012 0.000 1.254 95 V HN 2.669 10.859 8.190 -0.000 0.000 0.483 96 G N 3.484 112.294 108.800 0.016 0.000 2.587 96 G HA2 0.069 4.029 3.960 -0.001 0.000 0.212 96 G HA3 0.069 4.029 3.960 -0.001 0.000 0.212 96 G C -0.363 174.549 174.900 0.020 0.000 1.327 96 G CA 0.115 45.223 45.100 0.014 0.000 0.898 96 G HN 2.078 10.368 8.290 -0.000 0.000 0.551 97 C N 0.441 119.748 119.300 0.012 0.000 2.679 97 C HA 0.791 5.251 4.460 -0.001 0.000 0.354 97 C C 1.481 176.464 174.990 -0.012 0.000 1.067 97 C CA 0.548 59.572 59.018 0.010 0.000 1.317 97 C CB 0.293 28.031 27.740 -0.004 0.000 1.843 97 C HN 2.109 10.339 8.230 -0.000 0.000 0.459 98 A N 3.600 126.432 122.820 0.020 0.000 1.970 98 A HA 0.200 4.519 4.320 -0.001 0.000 0.216 98 A C 2.142 179.555 177.584 -0.284 0.000 1.170 98 A CA 1.667 53.695 52.037 -0.016 0.000 0.645 98 A CB -0.822 18.287 19.000 0.181 0.000 0.816 98 A HN 1.474 9.624 8.150 -0.000 0.000 0.447 99 G N -0.270 108.310 108.800 -0.367 0.000 2.516 99 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.221 99 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.221 99 G C 1.641 176.305 174.900 -0.393 0.000 1.107 99 G CA 1.372 46.061 45.100 -0.685 0.000 0.747 99 G HN 0.501 8.791 8.290 -0.000 0.000 0.567 100 R N 0.677 121.046 120.500 -0.218 0.000 2.090 100 R HA 0.151 4.491 4.340 -0.001 0.000 0.219 100 R C 2.633 178.857 176.300 -0.127 0.000 1.100 100 R CA 1.559 57.579 56.100 -0.133 0.000 0.991 100 R CB -1.221 29.035 30.300 -0.074 0.000 0.893 100 R HN 0.145 8.415 8.270 -0.000 0.000 0.443 101 G N 0.298 109.019 108.800 -0.132 0.000 2.446 101 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 101 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 101 G C 1.406 176.241 174.900 -0.108 0.000 1.168 101 G CA 1.265 46.306 45.100 -0.098 0.000 0.771 101 G HN 0.211 8.501 8.290 -0.000 0.000 0.551 102 V N 1.255 121.052 119.914 -0.196 0.000 2.317 102 V HA -0.259 3.860 4.120 -0.001 0.000 0.251 102 V C 2.756 178.797 176.094 -0.088 0.000 1.065 102 V CA 1.886 64.085 62.300 -0.167 0.000 1.049 102 V CB -0.509 31.095 31.823 -0.366 0.000 0.651 102 V HN 0.422 8.612 8.190 -0.000 0.000 0.450 103 I N -0.121 120.383 120.570 -0.109 0.000 2.162 103 I HA -0.194 3.975 4.170 -0.001 0.000 0.238 103 I C 2.619 178.734 176.117 -0.005 0.000 1.076 103 I CA 1.908 63.178 61.300 -0.050 0.000 1.353 103 I CB -0.818 37.147 38.000 -0.058 0.000 1.063 103 I HN 0.265 8.475 8.210 -0.000 0.000 0.408 104 T N 0.934 115.479 114.554 -0.016 0.000 2.759 104 T HA -0.198 4.151 4.350 -0.001 0.000 0.269 104 T C 1.962 176.690 174.700 0.046 0.000 1.042 104 T CA 1.562 63.669 62.100 0.012 0.000 1.140 104 T CB -0.319 68.536 68.868 -0.021 0.000 0.864 104 T HN 0.486 8.726 8.240 -0.000 0.000 0.455 105 A N 0.703 123.534 122.820 0.017 0.000 1.929 105 A HA 0.098 4.417 4.320 -0.001 0.000 0.216 105 A C 2.271 179.936 177.584 0.134 0.000 1.176 105 A CA 0.885 52.946 52.037 0.041 0.000 0.628 105 A CB -0.542 18.462 19.000 0.006 0.000 0.816 105 A HN 0.511 8.661 8.150 -0.000 0.000 0.444 106 I N -0.238 120.402 120.570 0.116 0.000 2.233 106 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 106 I C 2.162 178.362 176.117 0.139 0.000 1.093 106 I CA 0.888 62.284 61.300 0.160 0.000 1.380 106 I CB -0.442 37.643 38.000 0.141 0.000 1.067 106 I HN 0.302 8.512 8.210 -0.000 0.000 0.413 107 N N 0.867 119.631 118.700 0.108 0.000 2.149 107 N HA -0.232 4.507 4.740 -0.001 0.000 0.188 107 N C 1.839 177.397 175.510 0.080 0.000 1.019 107 N CA 1.524 54.624 53.050 0.083 0.000 0.857 107 N CB -0.396 38.131 38.487 0.067 0.000 0.997 107 N HN 0.252 8.632 8.380 -0.000 0.000 0.426 108 F N 2.039 121.973 119.950 -0.027 0.000 2.046 108 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 108 F C 2.297 178.043 175.800 -0.091 0.000 1.123 108 F CA 1.247 59.219 58.000 -0.046 0.000 1.199 108 F CB -0.538 38.439 39.000 -0.038 0.000 0.972 108 F HN -0.071 8.229 8.300 -0.000 0.000 0.474 109 L N 0.237 121.504 121.223 0.073 0.000 2.013 109 L HA -0.281 4.058 4.340 -0.001 0.000 0.212 109 L C 2.567 179.160 176.870 -0.462 0.000 1.073 109 L CA 2.206 56.932 54.840 -0.190 0.000 0.753 109 L CB -1.011 40.961 42.059 -0.144 0.000 0.890 109 L HN 0.356 8.586 8.230 -0.000 0.000 0.432 110 E N 0.383 120.385 120.200 -0.329 0.000 2.072 110 E HA -0.288 4.062 4.350 -0.001 0.000 0.191 110 E C 2.027 178.517 176.600 -0.183 0.000 0.985 110 E CA 1.463 57.723 56.400 -0.233 0.000 0.801 110 E CB 0.047 29.787 29.700 0.066 0.000 0.750 110 E HN 0.449 8.809 8.360 -0.000 0.000 0.452 111 E N 0.475 120.561 120.200 -0.189 0.000 2.017 111 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 111 E C 1.568 178.005 176.600 -0.272 0.000 0.997 111 E CA 1.298 57.581 56.400 -0.195 0.000 0.804 111 E CB 0.047 29.631 29.700 -0.193 0.000 0.757 111 E HN 0.115 8.475 8.360 -0.000 0.000 0.448 112 E N -0.086 119.839 120.200 -0.457 0.000 2.461 112 E HA 0.023 4.373 4.350 -0.001 0.000 0.196 112 E C 0.119 176.544 176.600 -0.291 0.000 1.129 112 E CA 0.667 56.800 56.400 -0.445 0.000 0.902 112 E CB -0.391 28.869 29.700 -0.733 0.000 0.963 112 E HN 0.452 8.812 8.360 -0.000 0.000 0.503 113 G N 1.173 109.826 108.800 -0.244 0.000 2.372 113 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.297 113 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.297 113 G C 0.911 175.700 174.900 -0.184 0.000 1.005 113 G CA 0.464 45.461 45.100 -0.171 0.000 1.173 113 G HN 0.390 8.680 8.290 -0.000 0.000 0.511 114 A N -0.838 121.788 122.820 -0.324 0.000 2.169 114 A HA 0.428 4.748 4.320 -0.001 0.000 0.212 114 A C 1.726 179.232 177.584 -0.130 0.000 1.153 114 A CA 1.684 53.562 52.037 -0.265 0.000 0.756 114 A CB -0.050 18.740 19.000 -0.350 0.000 0.813 114 A HN 0.644 8.794 8.150 -0.000 0.000 0.471 115 Y N -0.043 120.250 120.300 -0.012 0.000 2.479 115 Y HA 0.145 4.695 4.550 -0.001 0.000 0.283 115 Y C 1.047 176.939 175.900 -0.015 0.000 1.109 115 Y CA -0.122 57.974 58.100 -0.008 0.000 1.239 115 Y CB -0.105 38.357 38.460 0.003 0.000 1.108 115 Y HN 0.178 8.458 8.280 -0.000 0.000 0.548 116 E N 1.809 122.078 120.200 0.115 0.000 2.780 116 E HA -0.034 4.316 4.350 -0.001 0.000 0.234 116 E C -0.295 176.325 176.600 0.033 0.000 1.425 116 E CA 0.308 56.741 56.400 0.056 0.000 1.481 116 E CB -0.508 29.203 29.700 0.020 0.000 1.357 116 E HN 0.515 8.875 8.360 -0.000 0.000 0.431 117 D N 0.692 121.123 120.400 0.051 0.000 2.443 117 D HA 0.059 4.699 4.640 -0.001 0.000 0.249 117 D C -0.095 176.223 176.300 0.030 0.000 1.218 117 D CA -0.277 53.743 54.000 0.034 0.000 1.108 117 D CB 0.717 41.544 40.800 0.044 0.000 1.197 117 D HN -0.033 8.337 8.370 -0.000 0.000 0.600 118 D N -0.048 120.370 120.400 0.029 0.000 2.819 118 D HA 0.169 4.809 4.640 -0.001 0.000 0.326 118 D C -0.424 175.891 176.300 0.024 0.000 1.408 118 D CA -0.266 53.746 54.000 0.020 0.000 0.811 118 D CB -0.731 40.078 40.800 0.015 0.000 1.148 118 D HN 0.169 8.539 8.370 -0.000 0.000 0.457 119 L N -0.077 121.165 121.223 0.032 0.000 2.453 119 L HA 0.314 4.654 4.340 -0.001 0.000 0.261 119 L C 0.837 177.705 176.870 -0.004 0.000 1.179 119 L CA -0.230 54.632 54.840 0.037 0.000 0.813 119 L CB 0.985 43.079 42.059 0.059 0.000 1.110 119 L HN -0.041 8.189 8.230 -0.000 0.000 0.466 120 D N 0.190 120.599 120.400 0.014 0.000 2.455 120 D HA 0.173 4.812 4.640 -0.001 0.000 0.228 120 D C -0.495 175.600 176.300 -0.341 0.000 1.070 120 D CA 0.850 54.790 54.000 -0.099 0.000 0.881 120 D CB 0.948 41.778 40.800 0.051 0.000 1.087 120 D HN 0.168 8.538 8.370 -0.000 0.000 0.498 121 F N 0.925 120.901 119.950 0.045 0.000 2.562 121 F HA 0.298 4.825 4.527 -0.000 0.000 0.319 121 F C -0.524 175.297 175.800 0.034 0.000 1.154 121 F CA -0.861 57.166 58.000 0.044 0.000 0.931 121 F CB 2.316 41.470 39.000 0.257 0.000 1.198 121 F HN -0.424 7.876 8.300 -0.000 0.000 0.444 122 V N 4.800 124.711 119.914 -0.004 0.000 2.313 122 V HA 0.343 4.462 4.120 -0.001 0.000 0.278 122 V C -0.629 175.298 176.094 -0.279 0.000 1.017 122 V CA -0.731 61.498 62.300 -0.119 0.000 0.823 122 V CB 0.789 32.448 31.823 -0.273 0.000 1.010 122 V HN 0.484 8.674 8.190 -0.000 0.000 0.443 123 F N 4.139 124.014 119.950 -0.124 0.000 2.415 123 F HA 0.538 5.064 4.527 -0.001 0.000 0.348 123 F C -0.118 175.576 175.800 -0.177 0.000 1.119 123 F CA -0.447 57.517 58.000 -0.059 0.000 1.069 123 F CB 1.272 40.281 39.000 0.016 0.000 1.124 123 F HN 0.391 8.691 8.300 -0.000 0.000 0.472 124 Y N 1.961 122.379 120.300 0.196 0.000 2.385 124 Y HA 0.178 4.727 4.550 -0.001 0.000 0.341 124 Y C 0.089 176.057 175.900 0.113 0.000 0.965 124 Y CA -0.993 57.188 58.100 0.135 0.000 1.180 124 Y CB 0.589 39.106 38.460 0.095 0.000 1.139 124 Y HN 0.392 8.672 8.280 -0.000 0.000 0.502 125 D N 4.285 124.793 120.400 0.180 0.000 2.468 125 D HA 0.249 4.889 4.640 -0.001 0.000 0.218 125 D C -0.338 175.967 176.300 0.007 0.000 1.155 125 D CA 0.106 54.156 54.000 0.084 0.000 0.924 125 D CB 0.287 41.118 40.800 0.053 0.000 1.029 125 D HN 0.224 8.594 8.370 -0.000 0.000 0.515 129 D N 0.023 120.175 120.400 -0.413 0.000 2.455 129 D HA 0.330 4.970 4.640 -0.001 0.000 0.241 129 D C 1.462 177.519 176.300 -0.405 0.000 1.138 129 D CA 0.110 53.913 54.000 -0.329 0.000 0.877 129 D CB 1.571 42.198 40.800 -0.288 0.000 1.187 129 D HN 0.225 8.595 8.370 -0.000 0.000 0.451 130 V N 4.191 124.053 119.914 -0.087 0.000 3.602 130 V HA -0.068 4.052 4.120 -0.001 0.000 0.289 130 V C 2.215 178.370 176.094 0.101 0.000 1.265 130 V CA 0.541 62.903 62.300 0.103 0.000 1.202 130 V CB -0.746 31.218 31.823 0.235 0.000 1.012 130 V HN 0.626 8.816 8.190 -0.000 0.000 0.431 131 V N 0.742 120.653 119.914 -0.004 0.000 2.251 131 V HA -0.342 3.778 4.120 -0.001 0.000 0.259 131 V C 1.326 177.510 176.094 0.150 0.000 1.078 131 V CA 2.413 64.751 62.300 0.063 0.000 1.072 131 V CB -0.739 31.102 31.823 0.030 0.000 0.681 131 V HN 0.826 9.016 8.190 -0.000 0.000 0.454 132 C N -2.350 117.107 119.300 0.262 0.000 3.455 132 C HA 0.903 5.363 4.460 -0.001 0.000 0.357 132 C C 2.292 177.416 174.990 0.223 0.000 3.109 132 C CA -0.093 59.054 59.018 0.215 0.000 1.483 132 C CB 0.620 28.471 27.740 0.185 0.000 3.542 132 C HN 0.647 8.877 8.230 -0.000 0.000 0.511 133 G N 0.593 109.486 108.800 0.155 0.000 2.433 133 G HA2 0.176 4.136 3.960 -0.001 0.000 0.216 133 G HA3 0.176 4.136 3.960 -0.001 0.000 0.216 133 G C 1.566 176.519 174.900 0.089 0.000 1.186 133 G CA 1.294 46.475 45.100 0.136 0.000 0.779 133 G HN 1.435 9.725 8.290 -0.000 0.000 0.543 134 G N 0.189 108.986 108.800 -0.005 0.000 2.462 134 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.220 134 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.220 134 G C 1.351 176.151 174.900 -0.167 0.000 1.121 134 G CA 0.393 45.415 45.100 -0.130 0.000 0.758 134 G HN 0.329 8.619 8.290 -0.000 0.000 0.559 135 F N 1.091 121.063 119.950 0.037 0.000 2.802 135 F HA 0.341 4.868 4.527 -0.000 0.000 0.300 135 F C 2.340 178.180 175.800 0.068 0.000 1.168 135 F CA 0.150 58.172 58.000 0.037 0.000 1.433 135 F CB 0.272 39.300 39.000 0.047 0.000 1.115 135 F HN 0.223 8.523 8.300 -0.000 0.000 0.582 136 A N -1.252 121.652 122.820 0.139 0.000 2.348 136 A HA 0.118 4.437 4.320 -0.001 0.000 0.224 136 A C 2.128 179.592 177.584 -0.200 0.000 1.227 136 A CA 0.056 52.068 52.037 -0.041 0.000 0.885 136 A CB -0.297 18.658 19.000 -0.075 0.000 0.933 136 A HN 0.083 8.233 8.150 -0.000 0.000 0.506 137 M N 0.498 120.040 119.600 -0.096 0.000 2.073 137 M HA -0.094 4.385 4.480 -0.001 0.000 0.258 137 M C -1.006 175.169 176.300 -0.210 0.000 1.070 137 M CA 1.472 56.695 55.300 -0.128 0.000 1.103 137 M CB -2.040 30.512 32.600 -0.080 0.000 1.321 137 M HN 0.067 8.357 8.290 -0.000 0.000 0.405 138 P HA -0.046 4.374 4.420 -0.000 0.000 0.234 138 P C 0.497 177.544 177.300 -0.422 0.000 1.162 138 P CA 0.986 63.779 63.100 -0.511 0.000 0.759 138 P CB -0.464 31.011 31.700 -0.375 0.000 0.813 139 I N -6.038 114.334 120.570 -0.329 0.000 3.426 139 I HA 0.347 4.516 4.170 -0.001 0.000 0.329 139 I C 0.472 176.400 176.117 -0.315 0.000 1.553 139 I CA -0.719 60.388 61.300 -0.321 0.000 1.019 139 I CB 0.443 38.236 38.000 -0.344 0.000 1.376 139 I HN -0.273 7.937 8.210 -0.000 0.000 0.525 140 R N 0.891 121.247 120.500 -0.241 0.000 2.515 140 R HA 0.449 4.788 4.340 -0.001 0.000 0.209 140 R C -0.109 176.152 176.300 -0.065 0.000 1.255 140 R CA -0.827 55.208 56.100 -0.109 0.000 1.006 140 R CB 0.308 30.570 30.300 -0.064 0.000 1.839 140 R HN 0.198 8.468 8.270 -0.000 0.000 0.514 141 E N 1.876 122.061 120.200 -0.025 0.000 2.259 141 E HA 0.086 4.436 4.350 -0.001 0.000 0.281 141 E C -0.277 176.303 176.600 -0.033 0.000 1.027 141 E CA 0.003 56.389 56.400 -0.024 0.000 0.838 141 E CB 0.872 30.569 29.700 -0.004 0.000 1.066 141 E HN 0.488 8.848 8.360 -0.000 0.000 0.401 142 N N 1.260 119.933 118.700 -0.045 0.000 2.994 142 N HA -0.126 4.613 4.740 -0.001 0.000 0.221 142 N C 0.280 175.747 175.510 -0.071 0.000 0.900 142 N CA 0.915 53.940 53.050 -0.042 0.000 1.008 142 N CB -0.512 37.972 38.487 -0.005 0.000 1.053 142 N HN 0.343 8.723 8.380 -0.000 0.000 0.580 143 K N 0.977 121.311 120.400 -0.111 0.000 4.493 143 K HA 0.671 4.990 4.320 -0.001 0.000 0.206 143 K C 0.662 177.157 176.600 -0.175 0.000 1.105 143 K CA 0.434 56.605 56.287 -0.194 0.000 1.928 143 K CB -0.581 31.724 32.500 -0.326 0.000 2.779 143 K HN 0.122 8.372 8.250 -0.000 0.000 0.614 144 A N 1.123 123.791 122.820 -0.255 0.000 2.310 144 A HA 0.350 4.670 4.320 -0.001 0.000 0.299 144 A C 0.519 178.045 177.584 -0.098 0.000 1.147 144 A CA -0.088 51.883 52.037 -0.111 0.000 0.818 144 A CB 0.978 19.932 19.000 -0.076 0.000 1.096 144 A HN 0.467 8.617 8.150 -0.000 0.000 0.495 145 Q N 0.111 119.871 119.800 -0.067 0.000 2.402 145 Q HA 0.089 4.428 4.340 -0.001 0.000 0.231 145 Q C -0.363 175.593 176.000 -0.073 0.000 0.888 145 Q CA 0.590 56.353 55.803 -0.067 0.000 0.938 145 Q CB 0.467 29.171 28.738 -0.057 0.000 1.086 145 Q HN 0.871 9.141 8.270 -0.000 0.000 0.543 146 E N 0.511 120.675 120.200 -0.060 0.000 2.183 146 E HA 0.465 4.814 4.350 -0.001 0.000 0.271 146 E C -1.058 175.460 176.600 -0.137 0.000 0.919 146 E CA -0.349 55.982 56.400 -0.115 0.000 0.781 146 E CB 2.295 32.002 29.700 0.012 0.000 1.140 146 E HN 0.084 8.444 8.360 -0.000 0.000 0.402 147 I N 2.707 123.095 120.570 -0.303 0.000 2.498 147 I HA 0.265 4.435 4.170 -0.001 0.000 0.290 147 I C -1.248 174.642 176.117 -0.377 0.000 1.032 147 I CA -0.816 60.371 61.300 -0.188 0.000 1.073 147 I CB 1.256 39.151 38.000 -0.175 0.000 1.251 147 I HN 0.525 8.735 8.210 -0.000 0.000 0.426 148 Y N 6.341 126.727 120.300 0.143 0.000 2.805 148 Y HA 0.444 4.994 4.550 -0.001 0.000 0.339 148 Y C 0.226 176.211 175.900 0.142 0.000 1.012 148 Y CA -0.586 57.598 58.100 0.139 0.000 1.262 148 Y CB 0.818 39.382 38.460 0.172 0.000 1.100 148 Y HN 0.345 8.625 8.280 -0.000 0.000 0.559 149 I N 3.886 124.559 120.570 0.171 0.000 2.662 149 I HA 0.025 4.195 4.170 -0.001 0.000 0.285 149 I C 0.010 176.221 176.117 0.156 0.000 1.161 149 I CA -0.016 61.374 61.300 0.151 0.000 1.415 149 I CB 0.189 38.232 38.000 0.071 0.000 1.385 149 I HN 0.188 8.398 8.210 -0.000 0.000 0.552 150 V N 6.704 126.706 119.914 0.147 0.000 2.644 150 V HA 0.400 4.520 4.120 -0.001 0.000 0.295 150 V C 0.298 176.437 176.094 0.075 0.000 1.053 150 V CA -0.314 62.050 62.300 0.108 0.000 0.987 150 V CB 1.292 33.170 31.823 0.092 0.000 1.006 150 V HN 1.062 9.252 8.190 -0.000 0.000 0.472 151 C N 1.762 121.092 119.300 0.050 0.000 3.314 151 C HA 0.979 5.439 4.460 -0.001 0.000 0.344 151 C C -0.229 174.768 174.990 0.011 0.000 1.461 151 C CA -0.279 58.763 59.018 0.039 0.000 1.249 151 C CB 1.212 28.982 27.740 0.050 0.000 1.632 151 C HN 1.095 9.325 8.230 -0.000 0.000 0.452 152 S N -0.905 114.807 115.700 0.020 0.000 2.776 152 S HA 0.706 5.176 4.470 -0.001 0.000 0.292 152 S C 0.405 175.028 174.600 0.037 0.000 1.187 152 S CA 0.282 58.487 58.200 0.008 0.000 0.834 152 S CB 0.858 64.055 63.200 -0.005 0.000 1.199 152 S HN 2.367 10.678 8.310 -0.000 0.000 0.514 153 G N -0.038 108.790 108.800 0.046 0.000 3.155 153 G HA2 0.258 4.218 3.960 -0.001 0.000 0.213 153 G HA3 0.258 4.218 3.960 -0.001 0.000 0.213 153 G C -0.002 174.926 174.900 0.045 0.000 1.196 153 G CA -0.136 44.998 45.100 0.057 0.000 0.846 153 G HN 0.670 8.960 8.290 -0.000 0.000 0.516 154 E N -0.593 119.631 120.200 0.040 0.000 2.242 154 E HA 0.312 4.661 4.350 -0.001 0.000 0.275 154 E C 1.194 177.821 176.600 0.045 0.000 1.002 154 E CA -0.656 55.766 56.400 0.036 0.000 0.841 154 E CB 1.704 31.422 29.700 0.029 0.000 1.109 154 E HN 0.125 8.485 8.360 -0.000 0.000 0.394 155 M N 3.752 123.374 119.600 0.037 0.000 2.106 155 M HA -0.197 4.283 4.480 -0.001 0.000 0.259 155 M C 1.764 178.105 176.300 0.068 0.000 1.068 155 M CA 1.784 57.110 55.300 0.043 0.000 1.100 155 M CB 0.016 32.626 32.600 0.015 0.000 1.351 155 M HN 0.622 8.912 8.290 -0.000 0.000 0.404 156 M N -0.725 118.905 119.600 0.050 0.000 2.558 156 M HA 0.140 4.619 4.480 -0.001 0.000 0.255 156 M C 1.574 177.945 176.300 0.117 0.000 1.113 156 M CA 1.573 56.918 55.300 0.076 0.000 1.097 156 M CB -0.809 31.806 32.600 0.025 0.000 1.426 156 M HN 0.356 8.646 8.290 -0.000 0.000 0.488 157 A N 0.974 123.845 122.820 0.086 0.000 2.021 157 A HA 0.118 4.438 4.320 -0.001 0.000 0.216 157 A C 1.998 179.633 177.584 0.085 0.000 1.163 157 A CA 0.740 52.822 52.037 0.076 0.000 0.676 157 A CB -0.320 18.710 19.000 0.051 0.000 0.818 157 A HN 0.602 8.752 8.150 -0.000 0.000 0.453 158 M N -2.488 117.170 119.600 0.096 0.000 2.248 158 M HA 0.027 4.506 4.480 -0.001 0.000 0.265 158 M C 2.114 178.478 176.300 0.106 0.000 1.079 158 M CA 1.172 56.524 55.300 0.086 0.000 1.150 158 M CB -0.451 32.197 32.600 0.080 0.000 1.366 158 M HN 0.501 8.791 8.290 -0.000 0.000 0.433 159 Y N 1.493 121.804 120.300 0.019 0.000 2.298 159 Y HA -0.286 4.263 4.550 -0.001 0.000 0.287 159 Y C 2.217 178.128 175.900 0.019 0.000 1.164 159 Y CA 1.617 59.727 58.100 0.016 0.000 1.229 159 Y CB -0.194 38.274 38.460 0.014 0.000 0.977 159 Y HN 0.179 8.459 8.280 -0.000 0.000 0.538 160 A N -0.176 122.684 122.820 0.067 0.000 1.887 160 A HA 0.145 4.464 4.320 -0.001 0.000 0.212 160 A C 2.406 179.975 177.584 -0.025 0.000 1.198 160 A CA 1.008 53.043 52.037 -0.003 0.000 0.628 160 A CB -1.373 17.670 19.000 0.071 0.000 0.847 160 A HN 0.505 8.655 8.150 -0.000 0.000 0.449 161 A N 0.481 123.308 122.820 0.013 0.000 1.948 161 A HA -0.279 4.040 4.320 -0.001 0.000 0.220 161 A C 1.935 179.503 177.584 -0.028 0.000 1.177 161 A CA 2.369 54.413 52.037 0.011 0.000 0.636 161 A CB -0.775 18.244 19.000 0.032 0.000 0.815 161 A HN 0.622 8.772 8.150 -0.000 0.000 0.449 162 N N -0.206 118.460 118.700 -0.058 0.000 2.207 162 N HA -0.128 4.612 4.740 -0.001 0.000 0.182 162 N C 1.739 177.159 175.510 -0.150 0.000 1.020 162 N CA 1.428 54.424 53.050 -0.090 0.000 0.858 162 N CB -0.380 38.055 38.487 -0.087 0.000 0.991 162 N HN 0.627 9.007 8.380 -0.000 0.000 0.427 163 N N 0.364 118.917 118.700 -0.245 0.000 2.120 163 N HA -0.136 4.603 4.740 -0.001 0.000 0.188 163 N C 1.667 177.097 175.510 -0.134 0.000 1.024 163 N CA 1.033 53.919 53.050 -0.274 0.000 0.852 163 N CB -0.044 38.193 38.487 -0.417 0.000 1.003 163 N HN 0.294 8.674 8.380 -0.000 0.000 0.424 164 I N 1.130 121.646 120.570 -0.090 0.000 2.113 164 I HA -0.244 3.925 4.170 -0.001 0.000 0.238 164 I C 2.350 178.415 176.117 -0.086 0.000 1.070 164 I CA 1.282 62.545 61.300 -0.060 0.000 1.332 164 I CB -0.520 37.466 38.000 -0.024 0.000 1.044 164 I HN 0.181 8.391 8.210 -0.000 0.000 0.402 165 S N 0.756 116.408 115.700 -0.081 0.000 2.440 165 S HA -0.254 4.216 4.470 -0.001 0.000 0.240 165 S C 1.861 176.419 174.600 -0.069 0.000 1.014 165 S CA 1.336 59.488 58.200 -0.079 0.000 0.980 165 S CB -0.463 62.700 63.200 -0.061 0.000 0.775 165 S HN 0.429 8.739 8.310 -0.000 0.000 0.499 166 K N 1.807 122.164 120.400 -0.073 0.000 2.001 166 K HA -0.051 4.269 4.320 -0.001 0.000 0.208 166 K C 2.312 178.882 176.600 -0.051 0.000 1.048 166 K CA 1.362 57.610 56.287 -0.065 0.000 0.932 166 K CB -0.850 31.602 32.500 -0.079 0.000 0.715 166 K HN 0.426 8.676 8.250 -0.000 0.000 0.437 167 G N 1.156 109.932 108.800 -0.041 0.000 2.535 167 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.218 167 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.218 167 G C 1.412 176.333 174.900 0.034 0.000 1.122 167 G CA 0.428 45.525 45.100 -0.005 0.000 0.769 167 G HN 0.276 8.566 8.290 -0.000 0.000 0.549 168 I N -0.213 120.351 120.570 -0.010 0.000 2.277 168 I HA -0.081 4.089 4.170 -0.001 0.000 0.243 168 I C 2.635 178.759 176.117 0.012 0.000 1.094 168 I CA 0.258 61.561 61.300 0.005 0.000 1.393 168 I CB -0.281 37.670 38.000 -0.082 0.000 1.078 168 I HN 0.054 8.264 8.210 -0.000 0.000 0.417 169 V N 1.954 121.850 119.914 -0.029 0.000 2.527 169 V HA -0.323 3.796 4.120 -0.001 0.000 0.255 169 V C 2.516 178.576 176.094 -0.056 0.000 1.081 169 V CA 1.884 64.161 62.300 -0.039 0.000 1.092 169 V CB -0.559 31.237 31.823 -0.045 0.000 0.673 169 V HN 0.369 8.559 8.190 -0.000 0.000 0.470 170 K N -0.756 119.588 120.400 -0.094 0.000 2.001 170 K HA -0.155 4.165 4.320 -0.001 0.000 0.208 170 K C 1.938 178.397 176.600 -0.236 0.000 1.048 170 K CA 1.972 58.133 56.287 -0.209 0.000 0.932 170 K CB -0.637 31.651 32.500 -0.354 0.000 0.715 170 K HN 0.582 8.832 8.250 -0.000 0.000 0.437 171 Y N 0.832 121.097 120.300 -0.057 0.000 2.519 171 Y HA 0.053 4.602 4.550 -0.001 0.000 0.287 171 Y C 2.373 178.235 175.900 -0.062 0.000 1.128 171 Y CA 0.561 58.626 58.100 -0.059 0.000 1.282 171 Y CB -0.322 38.095 38.460 -0.071 0.000 1.027 171 Y HN 0.088 8.368 8.280 -0.000 0.000 0.551 172 A N 0.307 123.166 122.820 0.065 0.000 1.874 172 A HA -0.126 4.194 4.320 -0.001 0.000 0.214 172 A C 2.020 179.601 177.584 -0.006 0.000 1.189 172 A CA 1.516 53.561 52.037 0.013 0.000 0.615 172 A CB -0.534 18.458 19.000 -0.013 0.000 0.830 172 A HN 0.318 8.468 8.150 -0.000 0.000 0.443 173 N N 0.888 119.575 118.700 -0.021 0.000 2.058 173 N HA -0.135 4.604 4.740 -0.001 0.000 0.191 173 N C 2.072 177.568 175.510 -0.023 0.000 1.037 173 N CA 2.141 55.174 53.050 -0.027 0.000 0.848 173 N CB -0.554 37.910 38.487 -0.040 0.000 1.021 173 N HN 0.574 8.954 8.380 -0.000 0.000 0.422 174 S N -0.936 114.748 115.700 -0.028 0.000 2.428 174 S HA 0.132 4.602 4.470 -0.001 0.000 0.230 174 S C 1.269 175.871 174.600 0.002 0.000 1.014 174 S CA 0.662 58.850 58.200 -0.020 0.000 0.957 174 S CB -0.360 62.818 63.200 -0.036 0.000 0.784 174 S HN 0.373 8.683 8.310 -0.000 0.000 0.499 175 G N 0.901 109.712 108.800 0.019 0.000 2.990 175 G HA2 0.490 4.449 3.960 -0.001 0.000 0.208 175 G HA3 0.490 4.449 3.960 -0.001 0.000 0.208 175 G C 0.524 175.426 174.900 0.004 0.000 1.334 175 G CA 0.072 45.186 45.100 0.023 0.000 1.024 175 G HN 0.394 8.684 8.290 -0.000 0.000 0.574 176 S N -1.705 113.992 115.700 -0.005 0.000 2.512 176 S HA 0.201 4.671 4.470 -0.001 0.000 0.216 176 S C 0.971 175.553 174.600 -0.030 0.000 1.006 176 S CA 0.145 58.333 58.200 -0.019 0.000 0.915 176 S CB 0.138 63.324 63.200 -0.023 0.000 0.824 176 S HN 0.625 8.935 8.310 -0.000 0.000 0.497 177 V N 3.289 123.183 119.914 -0.033 0.000 2.901 177 V HA 0.285 4.405 4.120 -0.001 0.000 0.307 177 V C -0.259 175.800 176.094 -0.059 0.000 1.084 177 V CA 0.366 62.632 62.300 -0.057 0.000 1.184 177 V CB 0.302 32.081 31.823 -0.072 0.000 0.941 177 V HN 0.510 8.700 8.190 -0.000 0.000 0.493 178 R N 4.614 125.063 120.500 -0.086 0.000 2.764 178 R HA 0.447 4.787 4.340 -0.001 0.000 0.270 178 R C -1.241 174.972 176.300 -0.146 0.000 1.014 178 R CA -0.939 55.105 56.100 -0.093 0.000 0.904 178 R CB 1.765 32.020 30.300 -0.074 0.000 1.236 178 R HN 0.723 8.993 8.270 -0.000 0.000 0.466 179 L N 1.277 122.416 121.223 -0.139 0.000 2.281 179 L HA 0.299 4.638 4.340 -0.001 0.000 0.285 179 L C 1.121 177.859 176.870 -0.219 0.000 1.074 179 L CA 0.219 54.949 54.840 -0.183 0.000 0.817 179 L CB 1.261 43.251 42.059 -0.114 0.000 1.168 179 L HN 0.929 9.159 8.230 -0.000 0.000 0.434 180 G N 2.984 111.518 108.800 -0.443 0.000 2.459 180 G HA2 0.397 4.356 3.960 -0.001 0.000 0.213 180 G HA3 0.397 4.356 3.960 -0.001 0.000 0.213 180 G C 0.473 175.334 174.900 -0.064 0.000 1.155 180 G CA 0.668 45.536 45.100 -0.387 0.000 0.811 180 G HN 0.888 9.178 8.290 -0.000 0.000 0.534 181 G N -1.268 107.514 108.800 -0.030 0.000 2.358 181 G HA2 0.380 4.339 3.960 -0.001 0.000 0.301 181 G HA3 0.380 4.339 3.960 -0.001 0.000 0.301 181 G C -1.387 173.654 174.900 0.236 0.000 1.539 181 G CA -1.055 44.145 45.100 0.167 0.000 0.893 181 G HN 0.282 8.572 8.290 -0.000 0.000 0.636 182 L N 0.374 121.700 121.223 0.170 0.000 2.395 182 L HA 0.621 4.961 4.340 -0.001 0.000 0.269 182 L C 0.339 177.313 176.870 0.174 0.000 1.133 182 L CA -0.496 54.439 54.840 0.157 0.000 0.812 182 L CB 1.178 43.300 42.059 0.104 0.000 1.125 182 L HN 0.393 8.623 8.230 -0.000 0.000 0.452 183 I N 1.928 122.590 120.570 0.155 0.000 2.382 183 I HA 0.189 4.358 4.170 -0.001 0.000 0.286 183 I C -0.621 175.525 176.117 0.049 0.000 1.002 183 I CA -0.376 60.996 61.300 0.120 0.000 1.135 183 I CB 1.697 39.776 38.000 0.132 0.000 1.288 183 I HN 0.551 8.761 8.210 -0.000 0.000 0.448 184 C N 6.569 125.862 119.300 -0.012 0.000 2.281 184 C HA 0.346 4.806 4.460 -0.001 0.000 0.336 184 C C 0.278 175.089 174.990 -0.299 0.000 1.217 184 C CA -0.370 58.572 59.018 -0.128 0.000 1.730 184 C CB -0.822 26.853 27.740 -0.108 0.000 2.338 184 C HN 0.781 9.011 8.230 -0.000 0.000 0.521 185 N N 3.882 122.460 118.700 -0.204 0.000 2.469 185 N HA 0.186 4.926 4.740 -0.001 0.000 0.253 185 N C -0.257 175.100 175.510 -0.254 0.000 0.970 185 N CA 0.186 53.107 53.050 -0.215 0.000 0.940 185 N CB 1.408 39.860 38.487 -0.058 0.000 1.128 185 N HN 0.681 9.061 8.380 -0.000 0.000 0.503 186 S N 2.429 117.885 115.700 -0.406 0.000 2.810 186 S HA -0.127 4.342 4.470 -0.001 0.000 0.329 186 S C 0.990 175.532 174.600 -0.097 0.000 1.231 186 S CA 0.296 58.331 58.200 -0.275 0.000 1.042 186 S CB 0.135 63.213 63.200 -0.204 0.000 0.756 186 S HN 0.671 8.981 8.310 -0.000 0.000 0.504 187 R N 3.493 123.969 120.500 -0.039 0.000 2.535 187 R HA 0.243 4.582 4.340 -0.001 0.000 0.323 187 R C -0.118 176.195 176.300 0.021 0.000 0.979 187 R CA 0.067 56.164 56.100 -0.005 0.000 1.120 187 R CB -0.520 29.781 30.300 0.002 0.000 1.306 187 R HN 0.823 9.093 8.270 -0.000 0.000 0.540 188 N N 0.364 119.090 118.700 0.043 0.000 2.482 188 N HA -0.165 4.574 4.740 -0.001 0.000 0.288 188 N C -1.432 174.109 175.510 0.051 0.000 1.319 188 N CA 1.326 54.410 53.050 0.056 0.000 0.671 188 N CB -0.778 37.731 38.487 0.036 0.000 0.911 188 N HN 0.341 8.721 8.380 -0.000 0.000 0.531 189 T N 0.655 115.250 114.554 0.068 0.000 2.676 189 T HA 0.351 4.701 4.350 -0.001 0.000 0.269 189 T C 0.805 175.535 174.700 0.049 0.000 0.952 189 T CA -0.416 61.716 62.100 0.052 0.000 1.040 189 T CB 1.232 70.134 68.868 0.056 0.000 1.352 189 T HN 0.281 8.521 8.240 -0.000 0.000 0.554 190 D N -0.313 120.107 120.400 0.032 0.000 2.525 190 D HA 0.093 4.732 4.640 -0.001 0.000 0.248 190 D C 0.496 176.799 176.300 0.004 0.000 1.000 190 D CA 0.423 54.432 54.000 0.015 0.000 0.923 190 D CB 0.477 41.282 40.800 0.007 0.000 1.101 190 D HN 0.236 8.606 8.370 -0.000 0.000 0.493 191 R N 1.455 121.963 120.500 0.014 0.000 3.785 191 R HA 0.221 4.561 4.340 -0.001 0.000 0.255 191 R C 0.710 177.031 176.300 0.036 0.000 1.485 191 R CA -0.081 56.023 56.100 0.007 0.000 1.555 191 R CB 0.761 31.066 30.300 0.008 0.000 1.362 191 R HN 0.107 8.377 8.270 -0.000 0.000 0.702 192 E N 0.563 120.795 120.200 0.054 0.000 2.190 192 E HA -0.089 4.261 4.350 -0.001 0.000 0.191 192 E C 0.702 177.382 176.600 0.134 0.000 0.978 192 E CA 0.635 57.143 56.400 0.180 0.000 0.839 192 E CB 0.407 30.343 29.700 0.394 0.000 0.787 192 E HN 0.402 8.762 8.360 -0.000 0.000 0.473 193 D N 1.160 121.500 120.400 -0.101 0.000 2.084 193 D HA -0.147 4.493 4.640 -0.001 0.000 0.196 193 D C 1.852 178.124 176.300 -0.045 0.000 0.985 193 D CA 1.117 55.004 54.000 -0.189 0.000 0.826 193 D CB 0.147 40.789 40.800 -0.264 0.000 0.978 193 D HN 0.198 8.568 8.370 -0.000 0.000 0.456 194 E N -0.385 119.798 120.200 -0.029 0.000 2.140 194 E HA -0.065 4.285 4.350 -0.001 0.000 0.191 194 E C 2.221 178.834 176.600 0.021 0.000 0.973 194 E CA -0.122 56.276 56.400 -0.004 0.000 0.829 194 E CB 0.027 29.720 29.700 -0.013 0.000 0.781 194 E HN -0.013 8.347 8.360 -0.000 0.000 0.466 195 L N 1.443 122.684 121.223 0.030 0.000 2.021 195 L HA -0.254 4.086 4.340 -0.001 0.000 0.215 195 L C 2.083 178.983 176.870 0.050 0.000 1.074 195 L CA 1.589 56.453 54.840 0.040 0.000 0.760 195 L CB -0.319 41.768 42.059 0.047 0.000 0.889 195 L HN 0.273 8.503 8.230 -0.000 0.000 0.433 196 I N -0.862 119.749 120.570 0.069 0.000 2.233 196 I HA -0.278 3.892 4.170 -0.001 0.000 0.243 196 I C 2.577 178.733 176.117 0.064 0.000 1.093 196 I CA 1.444 62.790 61.300 0.076 0.000 1.380 196 I CB -0.914 37.153 38.000 0.111 0.000 1.067 196 I HN 0.265 8.475 8.210 -0.000 0.000 0.413 197 I N 1.294 121.899 120.570 0.059 0.000 2.194 197 I HA -0.323 3.846 4.170 -0.001 0.000 0.246 197 I C 2.851 178.990 176.117 0.037 0.000 1.093 197 I CA 1.450 62.778 61.300 0.047 0.000 1.355 197 I CB -0.507 37.513 38.000 0.033 0.000 1.046 197 I HN 0.167 8.377 8.210 -0.000 0.000 0.413 198 A N 1.037 123.876 122.820 0.032 0.000 1.851 198 A HA -0.262 4.058 4.320 -0.001 0.000 0.216 198 A C 2.337 179.939 177.584 0.029 0.000 1.195 198 A CA 1.912 53.965 52.037 0.027 0.000 0.622 198 A CB -1.061 17.954 19.000 0.024 0.000 0.831 198 A HN 0.433 8.583 8.150 -0.000 0.000 0.444 199 L N -0.581 120.662 121.223 0.034 0.000 2.127 199 L HA -0.117 4.222 4.340 -0.001 0.000 0.211 199 L C 2.628 179.517 176.870 0.032 0.000 1.089 199 L CA 1.825 56.685 54.840 0.033 0.000 0.757 199 L CB -0.309 41.773 42.059 0.040 0.000 0.899 199 L HN 0.377 8.607 8.230 -0.000 0.000 0.434 200 A N -0.442 122.402 122.820 0.039 0.000 1.972 200 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 200 A C 1.958 179.561 177.584 0.032 0.000 1.169 200 A CA 1.968 54.030 52.037 0.041 0.000 0.635 200 A CB -0.645 18.387 19.000 0.054 0.000 0.810 200 A HN 0.583 8.733 8.150 -0.000 0.000 0.446 201 N N -0.381 118.336 118.700 0.028 0.000 2.173 201 N HA -0.026 4.713 4.740 -0.001 0.000 0.184 201 N C 1.553 177.073 175.510 0.017 0.000 1.025 201 N CA 1.267 54.331 53.050 0.022 0.000 0.852 201 N CB -0.274 38.225 38.487 0.021 0.000 0.998 201 N HN 0.450 8.830 8.380 -0.000 0.000 0.427 202 K N -0.141 120.269 120.400 0.017 0.000 2.360 202 K HA -0.026 4.294 4.320 -0.001 0.000 0.201 202 K C 1.082 177.688 176.600 0.009 0.000 1.046 202 K CA 0.538 56.833 56.287 0.013 0.000 0.945 202 K CB 0.030 32.538 32.500 0.015 0.000 0.750 202 K HN 0.043 8.293 8.250 -0.000 0.000 0.464 203 L N -1.190 120.039 121.223 0.010 0.000 2.202 203 L HA 0.104 4.444 4.340 -0.001 0.000 0.205 203 L C 1.285 178.156 176.870 0.001 0.000 1.083 203 L CA 1.564 56.406 54.840 0.003 0.000 0.790 203 L CB 0.247 42.310 42.059 0.006 0.000 0.942 203 L HN 0.379 8.609 8.230 -0.000 0.000 0.452 204 G N -1.568 107.236 108.800 0.007 0.000 2.148 204 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.203 204 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.203 204 G C 0.495 175.401 174.900 0.010 0.000 0.993 204 G CA 0.327 45.431 45.100 0.007 0.000 0.661 204 G HN 0.408 8.698 8.290 -0.000 0.000 0.518 205 T N -0.723 113.841 114.554 0.017 0.000 2.768 205 T HA 0.736 5.086 4.350 -0.001 0.000 0.268 205 T C -0.027 174.699 174.700 0.045 0.000 0.969 205 T CA 0.643 62.759 62.100 0.026 0.000 1.008 205 T CB 1.420 70.301 68.868 0.022 0.000 1.371 205 T HN 0.832 9.072 8.240 -0.000 0.000 0.587 206 Q N 0.318 120.157 119.800 0.066 0.000 2.458 206 Q HA 0.563 4.903 4.340 -0.001 0.000 0.282 206 Q C -0.967 175.094 176.000 0.100 0.000 1.106 206 Q CA -1.010 54.840 55.803 0.079 0.000 0.814 206 Q CB 1.781 30.572 28.738 0.089 0.000 1.425 206 Q HN 0.631 8.901 8.270 -0.000 0.000 0.437 207 M N 3.654 123.312 119.600 0.098 0.000 2.589 207 M HA 0.227 4.707 4.480 -0.001 0.000 0.340 207 M C 0.219 176.600 176.300 0.134 0.000 1.308 207 M CA -0.232 55.136 55.300 0.113 0.000 1.332 207 M CB 0.088 32.748 32.600 0.100 0.000 1.219 207 M HN 0.927 9.217 8.290 -0.000 0.000 0.467 208 I N 1.821 122.491 120.570 0.166 0.000 2.182 208 I HA -0.311 3.859 4.170 -0.001 0.000 0.248 208 I C 0.645 176.895 176.117 0.221 0.000 1.073 208 I CA 1.703 63.111 61.300 0.180 0.000 1.335 208 I CB -0.123 37.989 38.000 0.186 0.000 1.031 208 I HN 0.726 8.936 8.210 -0.000 0.000 0.420 209 H N -2.410 116.714 119.070 0.091 0.000 2.987 209 H HA 0.313 4.869 4.556 -0.001 0.000 0.316 209 H C -1.542 173.871 175.328 0.141 0.000 1.380 209 H CA -0.965 55.141 56.048 0.095 0.000 1.160 209 H CB 1.155 30.946 29.762 0.048 0.000 1.865 209 H HN -0.108 8.172 8.280 -0.000 0.000 0.521 210 F N 3.572 122.980 119.950 -0.904 0.000 2.467 210 F HA 0.623 5.149 4.527 -0.001 0.000 0.336 210 F C -1.492 173.957 175.800 -0.585 0.000 1.123 210 F CA -0.594 57.096 58.000 -0.517 0.000 0.964 210 F CB 1.223 40.028 39.000 -0.326 0.000 1.136 210 F HN 0.331 8.631 8.300 -0.000 0.000 0.447 211 V N 8.160 127.673 119.914 -0.669 0.000 2.357 211 V HA 0.370 4.490 4.120 -0.001 0.000 0.284 211 V C -2.083 173.709 176.094 -0.503 0.000 1.018 211 V CA -1.994 60.067 62.300 -0.399 0.000 0.841 211 V CB 1.130 32.829 31.823 -0.206 0.000 0.991 211 V HN 0.647 8.837 8.190 -0.000 0.000 0.437 212 P HA 0.057 4.477 4.420 -0.000 0.000 0.269 212 P C -0.318 176.933 177.300 -0.081 0.000 1.211 212 P CA -0.056 63.019 63.100 -0.042 0.000 0.781 212 P CB 0.489 32.202 31.700 0.021 0.000 0.877 213 R N 2.119 122.610 120.500 -0.014 0.000 2.522 213 R HA 0.242 4.581 4.340 -0.001 0.000 0.290 213 R C -0.911 175.394 176.300 0.008 0.000 1.216 213 R CA -0.193 55.902 56.100 -0.008 0.000 1.250 213 R CB -0.362 29.941 30.300 0.005 0.000 1.143 213 R HN 0.429 8.699 8.270 -0.000 0.000 0.553 214 D N 0.701 121.104 120.400 0.004 0.000 2.192 214 D HA 0.207 4.847 4.640 -0.001 0.000 0.246 214 D C 0.326 176.646 176.300 0.032 0.000 1.042 214 D CA -0.523 53.487 54.000 0.017 0.000 0.847 214 D CB 1.315 42.121 40.800 0.010 0.000 1.186 214 D HN 0.352 8.722 8.370 -0.000 0.000 0.461 215 N N 1.748 120.470 118.700 0.036 0.000 2.383 215 N HA -0.019 4.720 4.740 -0.001 0.000 0.192 215 N C 1.112 176.656 175.510 0.056 0.000 1.141 215 N CA 0.124 53.196 53.050 0.037 0.000 0.851 215 N CB 0.606 39.111 38.487 0.030 0.000 0.976 215 N HN 0.218 8.598 8.380 -0.000 0.000 0.465 216 V N 0.322 120.285 119.914 0.083 0.000 2.913 216 V HA -0.095 4.025 4.120 -0.001 0.000 0.260 216 V C 2.091 178.250 176.094 0.108 0.000 1.098 216 V CA 0.939 63.325 62.300 0.143 0.000 1.121 216 V CB -0.282 31.640 31.823 0.165 0.000 0.714 216 V HN 0.072 8.262 8.190 -0.000 0.000 0.487 217 V N -0.899 119.057 119.914 0.069 0.000 3.129 217 V HA -0.115 4.005 4.120 -0.001 0.000 0.259 217 V C 2.236 178.305 176.094 -0.042 0.000 1.116 217 V CA 1.034 63.351 62.300 0.028 0.000 1.127 217 V CB -0.210 31.662 31.823 0.082 0.000 0.742 217 V HN 0.481 8.671 8.190 -0.000 0.000 0.474 218 Q N -0.333 119.449 119.800 -0.031 0.000 2.163 218 Q HA 0.025 4.364 4.340 -0.001 0.000 0.198 218 Q C 2.485 178.421 176.000 -0.107 0.000 0.954 218 Q CA 0.928 56.699 55.803 -0.054 0.000 0.851 218 Q CB -0.085 28.638 28.738 -0.024 0.000 0.928 218 Q HN 0.432 8.702 8.270 -0.000 0.000 0.459 219 R N -0.133 120.304 120.500 -0.104 0.000 2.081 219 R HA -0.051 4.288 4.340 -0.001 0.000 0.235 219 R C 2.034 177.953 176.300 -0.635 0.000 1.131 219 R CA 1.377 57.356 56.100 -0.202 0.000 0.960 219 R CB -0.539 29.802 30.300 0.068 0.000 0.856 219 R HN 0.256 8.526 8.270 -0.000 0.000 0.436 220 A N 1.318 123.766 122.820 -0.621 0.000 1.872 220 A HA -0.166 4.154 4.320 -0.001 0.000 0.214 220 A C 2.149 179.518 177.584 -0.358 0.000 1.187 220 A CA 1.261 52.893 52.037 -0.675 0.000 0.614 220 A CB -0.377 18.437 19.000 -0.309 0.000 0.826 220 A HN 0.435 8.585 8.150 -0.000 0.000 0.442 221 E N 0.177 120.244 120.200 -0.222 0.000 2.023 221 E HA -0.206 4.144 4.350 -0.001 0.000 0.196 221 E C 1.846 178.366 176.600 -0.135 0.000 1.003 221 E CA 1.716 58.030 56.400 -0.144 0.000 0.809 221 E CB -0.309 29.333 29.700 -0.097 0.000 0.755 221 E HN 0.611 8.971 8.360 -0.000 0.000 0.449 222 I N 0.478 120.967 120.570 -0.136 0.000 2.493 222 I HA -0.168 4.002 4.170 -0.001 0.000 0.254 222 I C 2.801 178.843 176.117 -0.124 0.000 1.160 222 I CA 0.703 61.939 61.300 -0.107 0.000 1.445 222 I CB -0.269 37.681 38.000 -0.083 0.000 1.086 222 I HN 0.109 8.319 8.210 -0.000 0.000 0.433 223 R N 1.699 122.081 120.500 -0.197 0.000 2.313 223 R HA 0.058 4.397 4.340 -0.001 0.000 0.199 223 R C -0.046 176.156 176.300 -0.164 0.000 0.958 223 R CA 0.132 56.118 56.100 -0.191 0.000 1.047 223 R CB 0.167 30.291 30.300 -0.293 0.000 0.955 223 R HN 0.227 8.497 8.270 -0.000 0.000 0.481 224 R N 0.173 120.588 120.500 -0.142 0.000 3.122 224 R HA -0.124 4.215 4.340 -0.001 0.000 0.262 224 R C -1.021 175.236 176.300 -0.072 0.000 1.035 224 R CA 1.077 57.123 56.100 -0.090 0.000 0.685 224 R CB -1.976 28.277 30.300 -0.078 0.000 1.254 224 R HN 0.296 8.566 8.270 -0.000 0.000 0.398 225 M N -3.044 116.503 119.600 -0.087 0.000 3.015 225 M HA 0.234 4.714 4.480 -0.001 0.000 0.272 225 M C 0.046 176.286 176.300 -0.101 0.000 1.085 225 M CA -1.087 54.199 55.300 -0.023 0.000 0.795 225 M CB 1.096 33.685 32.600 -0.019 0.000 1.632 225 M HN 0.084 8.374 8.290 -0.000 0.000 0.535 226 T N -1.309 113.186 114.554 -0.098 0.000 2.788 226 T HA 0.450 4.799 4.350 -0.001 0.000 0.287 226 T C 0.926 175.579 174.700 -0.077 0.000 1.007 226 T CA -0.691 61.320 62.100 -0.148 0.000 1.005 226 T CB 1.106 69.837 68.868 -0.227 0.000 1.012 226 T HN 0.484 8.724 8.240 -0.000 0.000 0.530 227 V N 0.910 120.795 119.914 -0.048 0.000 2.719 227 V HA -0.042 4.078 4.120 -0.001 0.000 0.252 227 V C 2.484 178.627 176.094 0.082 0.000 1.065 227 V CA 0.961 63.324 62.300 0.105 0.000 1.086 227 V CB -0.878 31.066 31.823 0.202 0.000 0.700 227 V HN 0.772 8.962 8.190 -0.000 0.000 0.467 228 I N 0.330 120.883 120.570 -0.029 0.000 2.394 228 I HA -0.180 3.990 4.170 -0.001 0.000 0.251 228 I C 2.450 178.504 176.117 -0.105 0.000 1.136 228 I CA 1.749 63.017 61.300 -0.054 0.000 1.425 228 I CB -0.348 37.593 38.000 -0.099 0.000 1.079 228 I HN 0.474 8.684 8.210 -0.000 0.000 0.425 229 E N 0.202 120.280 120.200 -0.203 0.000 2.307 229 E HA -0.167 4.183 4.350 -0.001 0.000 0.195 229 E C 2.169 178.788 176.600 0.032 0.000 0.975 229 E CA 0.160 56.457 56.400 -0.171 0.000 0.878 229 E CB 0.081 29.564 29.700 -0.362 0.000 0.845 229 E HN 0.348 8.708 8.360 -0.000 0.000 0.488 230 Y N 1.700 121.950 120.300 -0.084 0.000 2.084 230 Y HA -0.079 4.471 4.550 -0.001 0.000 0.279 230 Y C 0.426 176.311 175.900 -0.024 0.000 1.119 230 Y CA 1.925 59.997 58.100 -0.047 0.000 1.101 230 Y CB 0.053 38.487 38.460 -0.044 0.000 0.989 230 Y HN -0.075 8.205 8.280 -0.000 0.000 0.484 231 D N -0.452 119.898 120.400 -0.083 0.000 2.412 231 D HA 0.277 4.917 4.640 -0.001 0.000 0.276 231 D C -2.242 174.036 176.300 -0.037 0.000 1.196 231 D CA -1.940 51.955 54.000 -0.175 0.000 0.905 231 D CB 1.123 41.790 40.800 -0.223 0.000 1.081 231 D HN -0.030 8.340 8.370 -0.000 0.000 0.502 232 P HA -0.196 4.224 4.420 -0.000 0.000 0.218 232 P C 0.416 177.721 177.300 0.010 0.000 1.150 232 P CA 1.312 64.418 63.100 0.010 0.000 0.841 232 P CB 0.240 31.951 31.700 0.018 0.000 0.784 233 K N -2.112 118.284 120.400 -0.008 0.000 2.374 233 K HA 0.326 4.646 4.320 -0.001 0.000 0.202 233 K C 0.679 177.276 176.600 -0.005 0.000 1.040 233 K CA -0.309 55.975 56.287 -0.005 0.000 1.085 233 K CB 0.493 32.986 32.500 -0.011 0.000 0.873 233 K HN 0.030 8.280 8.250 -0.000 0.000 0.539 234 A N 1.814 124.631 122.820 -0.005 0.000 2.555 234 A HA -0.069 4.251 4.320 -0.001 0.000 0.233 234 A C 1.291 178.880 177.584 0.008 0.000 1.060 234 A CA 0.175 52.214 52.037 0.003 0.000 0.759 234 A CB 0.362 19.374 19.000 0.020 0.000 0.995 234 A HN 0.150 8.300 8.150 -0.000 0.000 0.506 235 K N 0.601 121.004 120.400 0.004 0.000 2.032 235 K HA -0.259 4.060 4.320 -0.001 0.000 0.218 235 K C 1.951 178.541 176.600 -0.017 0.000 1.054 235 K CA 2.663 58.949 56.287 -0.002 0.000 0.941 235 K CB -0.296 32.204 32.500 -0.001 0.000 0.720 235 K HN 0.811 9.061 8.250 -0.000 0.000 0.449 236 Q N -1.238 118.544 119.800 -0.030 0.000 2.515 236 Q HA 0.052 4.392 4.340 -0.001 0.000 0.212 236 Q C 1.306 177.262 176.000 -0.073 0.000 0.970 236 Q CA 0.717 56.451 55.803 -0.115 0.000 0.941 236 Q CB 0.005 28.654 28.738 -0.149 0.000 0.998 236 Q HN 0.457 8.727 8.270 -0.000 0.000 0.518 237 A N 0.311 123.148 122.820 0.028 0.000 1.930 237 A HA -0.122 4.197 4.320 -0.001 0.000 0.215 237 A C 1.518 179.132 177.584 0.050 0.000 1.176 237 A CA 1.291 53.381 52.037 0.089 0.000 0.632 237 A CB -0.057 18.981 19.000 0.063 0.000 0.819 237 A HN 0.402 8.552 8.150 -0.000 0.000 0.445 238 D N -0.162 120.242 120.400 0.007 0.000 2.194 238 D HA -0.088 4.551 4.640 -0.001 0.000 0.204 238 D C 1.662 177.938 176.300 -0.041 0.000 0.964 238 D CA 0.723 54.719 54.000 -0.008 0.000 0.846 238 D CB -0.164 40.633 40.800 -0.005 0.000 0.962 238 D HN 0.407 8.777 8.370 -0.000 0.000 0.490 239 E N 0.707 120.865 120.200 -0.070 0.000 2.023 239 E HA -0.179 4.171 4.350 -0.001 0.000 0.196 239 E C 2.161 178.656 176.600 -0.175 0.000 1.003 239 E CA 0.869 57.212 56.400 -0.094 0.000 0.809 239 E CB -0.564 29.051 29.700 -0.142 0.000 0.755 239 E HN 0.409 8.769 8.360 -0.000 0.000 0.449 240 Y N 1.150 121.420 120.300 -0.050 0.000 2.256 240 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 240 Y C 2.476 178.286 175.900 -0.149 0.000 1.155 240 Y CA 0.926 58.967 58.100 -0.099 0.000 1.203 240 Y CB -0.358 38.056 38.460 -0.076 0.000 0.980 240 Y HN 0.015 8.295 8.280 -0.000 0.000 0.530 241 R N -0.536 119.971 120.500 0.012 0.000 2.092 241 R HA -0.109 4.231 4.340 -0.001 0.000 0.231 241 R C 2.494 178.723 176.300 -0.119 0.000 1.119 241 R CA 0.968 57.042 56.100 -0.042 0.000 0.970 241 R CB -0.588 29.698 30.300 -0.024 0.000 0.864 241 R HN 0.324 8.594 8.270 -0.000 0.000 0.440 242 A N 1.681 124.384 122.820 -0.195 0.000 1.851 242 A HA -0.206 4.113 4.320 -0.001 0.000 0.216 242 A C 2.129 179.480 177.584 -0.389 0.000 1.195 242 A CA 1.303 53.151 52.037 -0.314 0.000 0.622 242 A CB -0.771 17.937 19.000 -0.487 0.000 0.831 242 A HN 0.243 8.393 8.150 -0.000 0.000 0.444 243 L N -0.221 120.683 121.223 -0.532 0.000 2.021 243 L HA -0.231 4.108 4.340 -0.001 0.000 0.215 243 L C 2.709 179.455 176.870 -0.207 0.000 1.074 243 L CA 2.546 57.197 54.840 -0.314 0.000 0.760 243 L CB -0.740 41.251 42.059 -0.113 0.000 0.889 243 L HN 0.411 8.641 8.230 -0.000 0.000 0.433 244 A N -0.557 122.149 122.820 -0.191 0.000 1.858 244 A HA -0.221 4.098 4.320 -0.001 0.000 0.216 244 A C 2.350 179.824 177.584 -0.183 0.000 1.190 244 A CA 1.875 53.785 52.037 -0.211 0.000 0.617 244 A CB -0.552 18.334 19.000 -0.190 0.000 0.827 244 A HN 0.530 8.680 8.150 -0.000 0.000 0.443 245 R N -0.069 120.349 120.500 -0.138 0.000 2.080 245 R HA -0.143 4.196 4.340 -0.001 0.000 0.236 245 R C 2.246 178.506 176.300 -0.066 0.000 1.137 245 R CA 1.749 57.795 56.100 -0.089 0.000 0.943 245 R CB -0.412 29.846 30.300 -0.070 0.000 0.846 245 R HN 0.495 8.765 8.270 -0.000 0.000 0.431 246 K N 0.425 120.779 120.400 -0.077 0.000 2.103 246 K HA -0.123 4.196 4.320 -0.001 0.000 0.207 246 K C 2.149 178.735 176.600 -0.023 0.000 1.048 246 K CA 1.483 57.752 56.287 -0.030 0.000 0.930 246 K CB -0.194 32.296 32.500 -0.016 0.000 0.716 246 K HN 0.022 8.272 8.250 -0.000 0.000 0.444 247 V N 1.108 120.963 119.914 -0.098 0.000 2.261 247 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 247 V C 2.338 178.436 176.094 0.007 0.000 1.047 247 V CA 1.565 63.786 62.300 -0.132 0.000 1.015 247 V CB -0.414 31.253 31.823 -0.261 0.000 0.642 247 V HN 0.074 8.264 8.190 -0.000 0.000 0.446 248 V N 0.570 120.464 119.914 -0.033 0.000 2.252 248 V HA -0.309 3.810 4.120 -0.001 0.000 0.249 248 V C 2.111 178.299 176.094 0.157 0.000 1.056 248 V CA 2.464 64.821 62.300 0.095 0.000 1.022 248 V CB -0.755 31.087 31.823 0.031 0.000 0.641 248 V HN 0.632 8.822 8.190 -0.000 0.000 0.445 249 D N -0.484 119.970 120.400 0.090 0.000 2.323 249 D HA -0.031 4.609 4.640 -0.001 0.000 0.209 249 D C 0.988 177.348 176.300 0.099 0.000 0.973 249 D CA 0.111 54.163 54.000 0.088 0.000 0.874 249 D CB -0.300 40.534 40.800 0.058 0.000 0.930 249 D HN 0.532 8.902 8.370 -0.000 0.000 0.521 250 N N 1.454 120.224 118.700 0.116 0.000 2.356 250 N HA -0.101 4.639 4.740 -0.001 0.000 0.252 250 N C 0.802 176.400 175.510 0.147 0.000 1.241 250 N CA 0.553 53.690 53.050 0.145 0.000 0.861 250 N CB 0.501 39.114 38.487 0.209 0.000 1.075 250 N HN -0.048 8.332 8.380 -0.000 0.000 0.461 251 K N 2.375 122.844 120.400 0.116 0.000 2.481 251 K HA 0.084 4.404 4.320 -0.001 0.000 0.210 251 K C -0.449 176.196 176.600 0.076 0.000 1.161 251 K CA -0.396 55.945 56.287 0.090 0.000 1.023 251 K CB 0.435 32.974 32.500 0.066 0.000 0.971 251 K HN 0.339 8.589 8.250 -0.000 0.000 0.577 252 L N 3.006 124.281 121.223 0.087 0.000 2.363 252 L HA 0.242 4.582 4.340 -0.001 0.000 0.286 252 L C -0.975 175.921 176.870 0.045 0.000 1.106 252 L CA 0.075 54.954 54.840 0.064 0.000 0.859 252 L CB -0.095 42.007 42.059 0.071 0.000 1.223 252 L HN 0.025 8.255 8.230 -0.000 0.000 0.446 253 L N 6.909 128.140 121.223 0.014 0.000 2.377 253 L HA 0.588 4.927 4.340 -0.001 0.000 0.270 253 L C -0.159 176.695 176.870 -0.027 0.000 0.991 253 L CA -0.752 54.071 54.840 -0.028 0.000 0.851 253 L CB 1.489 43.528 42.059 -0.033 0.000 1.218 253 L HN 0.467 8.697 8.230 -0.000 0.000 0.420 254 V N 0.915 120.808 119.914 -0.034 0.000 3.204 254 V HA 0.592 4.711 4.120 -0.001 0.000 0.316 254 V C -0.302 175.769 176.094 -0.038 0.000 1.160 254 V CA -0.836 61.448 62.300 -0.027 0.000 1.044 254 V CB 2.469 34.283 31.823 -0.014 0.000 1.136 254 V HN 0.553 8.743 8.190 -0.000 0.000 0.455 255 I N 2.602 123.154 120.570 -0.029 0.000 2.307 255 I HA 0.448 4.618 4.170 -0.001 0.000 0.289 255 I C -2.018 174.081 176.117 -0.030 0.000 1.021 255 I CA -1.905 59.376 61.300 -0.032 0.000 1.224 255 I CB 1.814 39.799 38.000 -0.026 0.000 1.376 255 I HN 0.666 8.876 8.210 -0.000 0.000 0.470 256 P HA -0.004 4.416 4.420 -0.000 0.000 0.272 256 P C -0.887 176.398 177.300 -0.026 0.000 1.243 256 P CA 0.047 63.128 63.100 -0.032 0.000 0.803 256 P CB 0.380 32.055 31.700 -0.041 0.000 0.974 257 N N -0.689 117.998 118.700 -0.022 0.000 2.751 257 N HA 0.277 5.017 4.740 -0.001 0.000 0.234 257 N C -2.764 172.735 175.510 -0.018 0.000 1.403 257 N CA -1.318 51.721 53.050 -0.019 0.000 0.747 257 N CB -0.100 38.380 38.487 -0.012 0.000 1.326 257 N HN 0.136 8.516 8.380 -0.000 0.000 0.532 258 P HA -0.050 4.370 4.420 -0.000 0.000 0.271 258 P C -0.360 176.931 177.300 -0.015 0.000 1.197 258 P CA 0.515 63.598 63.100 -0.028 0.000 0.777 258 P CB 0.544 32.219 31.700 -0.041 0.000 0.827 259 I N -2.238 118.326 120.570 -0.010 0.000 2.863 259 I HA 0.499 4.669 4.170 -0.001 0.000 0.311 259 I C 0.027 176.150 176.117 0.010 0.000 1.026 259 I CA -0.922 60.381 61.300 0.004 0.000 1.077 259 I CB 1.787 39.795 38.000 0.013 0.000 1.262 259 I HN 0.088 8.299 8.210 -0.000 0.000 0.461 260 T N 2.468 117.034 114.554 0.020 0.000 2.928 260 T HA 0.236 4.586 4.350 -0.001 0.000 0.284 260 T C 1.244 175.975 174.700 0.051 0.000 1.008 260 T CA -0.624 61.495 62.100 0.031 0.000 1.057 260 T CB 1.364 70.247 68.868 0.025 0.000 1.018 260 T HN 0.474 8.714 8.240 -0.000 0.000 0.493 261 M N 1.743 121.387 119.600 0.073 0.000 2.124 261 M HA -0.184 4.296 4.480 -0.001 0.000 0.253 261 M C 1.702 178.035 176.300 0.055 0.000 1.077 261 M CA 1.826 57.179 55.300 0.087 0.000 1.085 261 M CB -1.118 31.532 32.600 0.082 0.000 1.320 261 M HN 0.629 8.919 8.290 -0.000 0.000 0.404 262 D N -0.206 120.218 120.400 0.040 0.000 2.123 262 D HA -0.174 4.465 4.640 -0.001 0.000 0.196 262 D C 1.798 178.114 176.300 0.026 0.000 0.992 262 D CA 1.415 55.432 54.000 0.028 0.000 0.833 262 D CB -0.280 40.533 40.800 0.022 0.000 0.954 262 D HN 0.595 8.965 8.370 -0.000 0.000 0.455 263 E N 0.450 120.666 120.200 0.027 0.000 2.216 263 E HA 0.001 4.351 4.350 -0.001 0.000 0.192 263 E C 2.311 178.929 176.600 0.030 0.000 0.988 263 E CA -0.089 56.326 56.400 0.024 0.000 0.834 263 E CB 0.255 29.967 29.700 0.021 0.000 0.772 263 E HN 0.222 8.582 8.360 -0.000 0.000 0.479 264 L N 1.419 122.666 121.223 0.040 0.000 1.961 264 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 264 L C 2.251 179.147 176.870 0.043 0.000 1.075 264 L CA 1.709 56.579 54.840 0.050 0.000 0.749 264 L CB -0.366 41.739 42.059 0.078 0.000 0.890 264 L HN 0.156 8.386 8.230 -0.000 0.000 0.433 265 E N -0.349 119.876 120.200 0.040 0.000 2.273 265 E HA -0.311 4.038 4.350 -0.001 0.000 0.198 265 E C 1.771 178.384 176.600 0.022 0.000 1.002 265 E CA 1.313 57.730 56.400 0.029 0.000 0.828 265 E CB -0.055 29.658 29.700 0.022 0.000 0.747 265 E HN 0.524 8.884 8.360 -0.000 0.000 0.491 266 E N 1.463 121.676 120.200 0.023 0.000 2.077 266 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 266 E C 2.053 178.664 176.600 0.018 0.000 0.989 266 E CA 0.768 57.178 56.400 0.018 0.000 0.800 266 E CB -0.205 29.505 29.700 0.017 0.000 0.746 266 E HN 0.224 8.584 8.360 -0.000 0.000 0.452 267 L N 0.280 121.517 121.223 0.022 0.000 1.955 267 L HA -0.225 4.114 4.340 -0.001 0.000 0.213 267 L C 2.617 179.499 176.870 0.021 0.000 1.072 267 L CA 1.634 56.488 54.840 0.022 0.000 0.755 267 L CB -0.390 41.686 42.059 0.028 0.000 0.888 267 L HN 0.326 8.556 8.230 -0.000 0.000 0.432 268 L N -1.226 120.011 121.223 0.024 0.000 2.012 268 L HA -0.317 4.022 4.340 -0.001 0.000 0.210 268 L C 2.663 179.543 176.870 0.016 0.000 1.073 268 L CA 1.454 56.307 54.840 0.022 0.000 0.748 268 L CB -0.540 41.533 42.059 0.023 0.000 0.891 268 L HN 0.361 8.591 8.230 -0.000 0.000 0.431 269 M N -0.604 119.005 119.600 0.015 0.000 2.267 269 M HA -0.160 4.320 4.480 -0.001 0.000 0.263 269 M C 1.124 177.430 176.300 0.010 0.000 1.063 269 M CA 0.994 56.300 55.300 0.011 0.000 1.090 269 M CB -0.276 32.330 32.600 0.010 0.000 1.392 269 M HN 0.206 8.496 8.290 -0.000 0.000 0.422 270 E N 0.000 120.207 120.200 0.011 0.000 2.725 270 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 270 E CA 0.000 56.406 56.400 0.009 0.000 0.976 270 E CB 0.000 29.706 29.700 0.010 0.000 0.812 270 E HN 0.000 8.360 8.360 -0.000 0.000 0.440