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 1f8f_1_A DATA FIRST_RESID 4 DATA SEQUENCE LKDIIAAVTP CKGADFELQA LKIRQPQGDE VLVKVVATGM CHTDLIVRDQ DATA SEQUENCE KYPVPLPAVL GHEGSGIIEA IGPNVTELQV GDHVVLSYGY CGKCTQCNTG DATA SEQUENCE NPAYCSEFFG RNFSGADSEG NHALCXXXXX XVNDHFFAQS SFATYALSRE DATA SEQUENCE NNTVKVTKDV PIELLGPLGC GIQTGAGACI NALKVTPASS FVTWGAGAVG DATA SEQUENCE LSALLAAKVC GASIIIAVDI VESRLELAKQ LGATHVINSK TQDPVAAIKE DATA SEQUENCE ITDGGVNFAL ESTGSPEILK QGVDALGILG KIAVVGAPQL GTTAQFDVND DATA SEQUENCE LLLGGKTILG VVEGSGSPKK FIPELVRLYQ QGKFPFDQLV KFYAFDEINQ DATA SEQUENCE AAIDSRKGIT LKPIIKIA 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 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 4 L C 0.000 176.837 176.870 -0.056 0.000 1.165 4 L CA 0.000 54.819 54.840 -0.035 0.000 0.813 4 L CB 0.000 42.047 42.059 -0.019 0.000 0.961 5 K N -0.092 120.261 120.400 -0.079 0.000 2.318 5 K HA 0.682 4.998 4.320 -0.006 0.000 0.249 5 K C -1.473 175.077 176.600 -0.084 0.000 0.942 5 K CA -0.551 55.666 56.287 -0.117 0.000 0.808 5 K CB 1.627 33.987 32.500 -0.233 0.000 1.189 5 K HN 0.879 9.129 8.250 -0.000 0.000 0.428 6 D N 3.150 123.511 120.400 -0.065 0.000 2.175 6 D HA 0.423 5.059 4.640 -0.006 0.000 0.248 6 D C -0.236 176.064 176.300 0.000 0.000 1.047 6 D CA -0.316 53.672 54.000 -0.020 0.000 0.883 6 D CB 1.155 41.954 40.800 -0.001 0.000 1.180 6 D HN 0.460 8.830 8.370 -0.000 0.000 0.438 7 I N -2.398 118.201 120.570 0.049 0.000 3.279 7 I HA 0.542 4.708 4.170 -0.006 0.000 0.315 7 I C -1.499 174.693 176.117 0.124 0.000 1.225 7 I CA -1.186 60.184 61.300 0.117 0.000 0.947 7 I CB 1.687 39.787 38.000 0.167 0.000 1.293 7 I HN 0.067 8.277 8.210 -0.000 0.000 0.468 8 I N 2.522 123.195 120.570 0.171 0.000 2.377 8 I HA 0.783 4.949 4.170 -0.006 0.000 0.293 8 I C 0.167 176.435 176.117 0.252 0.000 0.987 8 I CA -0.474 60.932 61.300 0.177 0.000 1.185 8 I CB 1.047 39.165 38.000 0.196 0.000 1.341 8 I HN 0.887 9.097 8.210 -0.000 0.000 0.455 9 A N 4.645 127.589 122.820 0.207 0.000 2.515 9 A HA 0.868 5.184 4.320 -0.006 0.000 0.298 9 A C -0.649 177.062 177.584 0.212 0.000 1.059 9 A CA -0.701 51.507 52.037 0.285 0.000 0.698 9 A CB 1.631 20.762 19.000 0.218 0.000 1.289 9 A HN 0.767 8.917 8.150 -0.000 0.000 0.404 10 A N 1.140 124.137 122.820 0.295 0.000 2.354 10 A HA 0.569 4.886 4.320 -0.006 0.000 0.281 10 A C -0.200 177.554 177.584 0.282 0.000 1.174 10 A CA -0.168 51.991 52.037 0.205 0.000 0.828 10 A CB -0.194 18.929 19.000 0.204 0.000 1.099 10 A HN 1.153 9.303 8.150 -0.000 0.000 0.516 11 V N 2.684 122.708 119.914 0.184 0.000 2.472 11 V HA 0.371 4.487 4.120 -0.006 0.000 0.290 11 V C 0.504 176.640 176.094 0.071 0.000 1.037 11 V CA -0.284 62.094 62.300 0.130 0.000 0.908 11 V CB 1.884 33.741 31.823 0.058 0.000 0.985 11 V HN 0.861 9.051 8.190 -0.000 0.000 0.454 12 T N 7.542 122.098 114.554 0.004 0.000 3.016 12 T HA 0.258 4.605 4.350 -0.006 0.000 0.335 12 T C -1.890 172.749 174.700 -0.101 0.000 1.176 12 T CA -0.873 61.139 62.100 -0.148 0.000 0.987 12 T CB 1.268 70.006 68.868 -0.217 0.000 1.073 12 T HN 0.514 8.754 8.240 -0.000 0.000 0.547 13 P HA 0.051 4.471 4.420 -0.000 0.000 0.221 13 P C 0.402 177.666 177.300 -0.059 0.000 1.150 13 P CA 0.420 63.484 63.100 -0.060 0.000 0.800 13 P CB 0.128 31.798 31.700 -0.049 0.000 0.787 14 C N -4.810 114.446 119.300 -0.074 0.000 3.284 14 C HA 0.501 4.957 4.460 -0.006 0.000 0.348 14 C C -0.585 174.366 174.990 -0.064 0.000 1.448 14 C CA -1.970 57.014 59.018 -0.055 0.000 1.223 14 C CB 0.461 28.177 27.740 -0.041 0.000 1.588 14 C HN -0.038 8.192 8.230 -0.000 0.000 0.451 15 K N 0.828 121.202 120.400 -0.043 0.000 2.473 15 K HA 0.358 4.674 4.320 -0.006 0.000 0.277 15 K C 1.405 177.972 176.600 -0.055 0.000 1.052 15 K CA 1.771 58.035 56.287 -0.039 0.000 1.114 15 K CB -0.475 32.013 32.500 -0.020 0.000 0.869 15 K HN 2.441 10.691 8.250 -0.000 0.000 0.481 16 G N 2.213 110.970 108.800 -0.071 0.000 2.186 16 G HA2 -0.370 3.586 3.960 -0.006 0.000 0.266 16 G HA3 -0.370 3.586 3.960 -0.006 0.000 0.266 16 G C 0.310 175.144 174.900 -0.111 0.000 0.982 16 G CA 0.444 45.494 45.100 -0.083 0.000 0.670 16 G HN 0.996 9.286 8.290 -0.000 0.000 0.533 17 A N -0.436 122.307 122.820 -0.129 0.000 2.406 17 A HA 0.505 4.822 4.320 -0.006 0.000 0.243 17 A C 0.449 177.905 177.584 -0.212 0.000 1.082 17 A CA 0.407 52.362 52.037 -0.136 0.000 0.786 17 A CB 0.292 19.222 19.000 -0.117 0.000 1.029 17 A HN 0.286 8.436 8.150 -0.000 0.000 0.495 18 D N -0.245 120.059 120.400 -0.161 0.000 2.339 18 D HA 0.434 5.071 4.640 -0.006 0.000 0.245 18 D C -0.237 175.943 176.300 -0.199 0.000 1.115 18 D CA 0.225 54.128 54.000 -0.161 0.000 0.917 18 D CB 0.250 41.019 40.800 -0.052 0.000 1.192 18 D HN 0.279 8.649 8.370 -0.000 0.000 0.428 19 F N 1.174 121.092 119.950 -0.054 0.000 2.563 19 F HA 0.143 4.666 4.527 -0.006 0.000 0.363 19 F C 1.129 176.877 175.800 -0.085 0.000 1.123 19 F CA 0.366 58.328 58.000 -0.064 0.000 1.307 19 F CB 0.358 39.300 39.000 -0.097 0.000 1.115 19 F HN 0.124 8.424 8.300 -0.000 0.000 0.592 20 E N 2.738 122.983 120.200 0.074 0.000 2.293 20 E HA 0.453 4.799 4.350 -0.006 0.000 0.270 20 E C -1.237 175.339 176.600 -0.039 0.000 0.879 20 E CA -0.893 55.504 56.400 -0.006 0.000 0.756 20 E CB 2.191 31.881 29.700 -0.016 0.000 1.208 20 E HN 0.398 8.758 8.360 -0.000 0.000 0.428 21 L N 2.630 123.786 121.223 -0.111 0.000 2.331 21 L HA 0.302 4.638 4.340 -0.006 0.000 0.278 21 L C 0.052 176.885 176.870 -0.060 0.000 1.106 21 L CA 0.025 54.775 54.840 -0.151 0.000 0.824 21 L CB 0.594 42.489 42.059 -0.274 0.000 1.142 21 L HN 0.483 8.713 8.230 -0.000 0.000 0.443 22 Q N 1.556 121.346 119.800 -0.017 0.000 2.456 22 Q HA 0.666 5.002 4.340 -0.006 0.000 0.283 22 Q C -1.046 174.971 176.000 0.028 0.000 1.084 22 Q CA -0.917 54.890 55.803 0.007 0.000 0.801 22 Q CB 2.715 31.463 28.738 0.017 0.000 1.434 22 Q HN 0.730 9.000 8.270 -0.000 0.000 0.419 23 A N 2.182 125.017 122.820 0.025 0.000 2.274 23 A HA 0.736 5.052 4.320 -0.006 0.000 0.309 23 A C -0.822 176.784 177.584 0.036 0.000 1.226 23 A CA -0.223 51.835 52.037 0.035 0.000 0.853 23 A CB 0.175 19.190 19.000 0.026 0.000 1.146 23 A HN 0.607 8.757 8.150 -0.000 0.000 0.518 24 L N 1.060 122.312 121.223 0.048 0.000 2.301 24 L HA 0.669 5.005 4.340 -0.006 0.000 0.249 24 L C -0.523 176.369 176.870 0.037 0.000 1.069 24 L CA -1.090 53.775 54.840 0.042 0.000 0.865 24 L CB 2.134 44.225 42.059 0.053 0.000 1.467 24 L HN 0.608 8.838 8.230 -0.000 0.000 0.419 25 K N 0.621 121.039 120.400 0.030 0.000 2.371 25 K HA 0.699 5.015 4.320 -0.006 0.000 0.251 25 K C -1.536 175.076 176.600 0.019 0.000 0.934 25 K CA -0.277 56.020 56.287 0.016 0.000 0.798 25 K CB 2.978 35.482 32.500 0.007 0.000 1.204 25 K HN 0.398 8.648 8.250 -0.000 0.000 0.427 26 I N 1.817 122.386 120.570 -0.001 0.000 2.545 26 I HA 0.437 4.603 4.170 -0.006 0.000 0.292 26 I C -0.507 175.600 176.117 -0.017 0.000 1.040 26 I CA -0.733 60.569 61.300 0.003 0.000 1.068 26 I CB 1.158 39.169 38.000 0.018 0.000 1.251 26 I HN 0.637 8.847 8.210 -0.000 0.000 0.424 27 R N 5.171 125.672 120.500 0.002 0.000 2.546 27 R HA 0.463 4.800 4.340 -0.006 0.000 0.266 27 R C -0.678 175.617 176.300 -0.009 0.000 1.086 27 R CA -0.710 55.389 56.100 -0.003 0.000 1.160 27 R CB 0.518 30.827 30.300 0.015 0.000 1.138 27 R HN 0.430 8.700 8.270 -0.000 0.000 0.567 28 Q N 1.121 120.915 119.800 -0.011 0.000 2.417 28 Q HA 0.300 4.636 4.340 -0.006 0.000 0.241 28 Q C -2.059 173.943 176.000 0.003 0.000 1.008 28 Q CA -2.115 53.683 55.803 -0.009 0.000 0.901 28 Q CB 0.503 29.235 28.738 -0.010 0.000 1.259 28 Q HN 0.540 8.810 8.270 -0.000 0.000 0.489 29 P HA 0.184 4.604 4.420 -0.000 0.000 0.282 29 P C -0.899 176.404 177.300 0.005 0.000 1.249 29 P CA -0.231 62.873 63.100 0.007 0.000 0.806 29 P CB 1.338 33.042 31.700 0.007 0.000 0.984 30 Q N 0.168 119.972 119.800 0.006 0.000 2.852 30 Q HA 0.483 4.819 4.340 -0.006 0.000 0.262 30 Q C 1.278 177.277 176.000 -0.001 0.000 1.051 30 Q CA -0.658 55.147 55.803 0.003 0.000 0.894 30 Q CB 0.615 29.356 28.738 0.005 0.000 1.381 30 Q HN 0.591 8.861 8.270 -0.000 0.000 0.501 31 G N 1.969 110.767 108.800 -0.004 0.000 2.738 31 G HA2 -0.409 3.548 3.960 -0.006 0.000 0.391 31 G HA3 -0.409 3.548 3.960 -0.006 0.000 0.391 31 G C 0.385 175.278 174.900 -0.012 0.000 1.049 31 G CA 1.508 46.603 45.100 -0.009 0.000 0.855 31 G HN 0.898 9.188 8.290 -0.000 0.000 0.757 32 D N 1.525 121.913 120.400 -0.019 0.000 2.463 32 D HA 0.201 4.837 4.640 -0.006 0.000 0.224 32 D C 0.550 176.833 176.300 -0.027 0.000 1.174 32 D CA 0.195 54.180 54.000 -0.025 0.000 0.829 32 D CB -0.328 40.452 40.800 -0.034 0.000 0.993 32 D HN 0.670 9.040 8.370 -0.000 0.000 0.497 33 E N -0.155 120.035 120.200 -0.017 0.000 2.392 33 E HA 0.379 4.725 4.350 -0.006 0.000 0.259 33 E C -0.287 176.307 176.600 -0.010 0.000 1.108 33 E CA -0.532 55.860 56.400 -0.013 0.000 0.916 33 E CB 1.832 31.532 29.700 0.000 0.000 0.989 33 E HN -0.011 8.349 8.360 -0.000 0.000 0.432 34 V N 1.940 121.848 119.914 -0.010 0.000 2.638 34 V HA 0.272 4.388 4.120 -0.006 0.000 0.306 34 V C -0.845 175.255 176.094 0.011 0.000 1.052 34 V CA -1.032 61.267 62.300 -0.001 0.000 0.885 34 V CB 1.484 33.303 31.823 -0.007 0.000 0.999 34 V HN 0.418 8.608 8.190 -0.000 0.000 0.424 35 L N 5.300 126.542 121.223 0.032 0.000 2.257 35 L HA 0.678 5.015 4.340 -0.006 0.000 0.290 35 L C -0.390 176.534 176.870 0.090 0.000 1.044 35 L CA 0.192 55.074 54.840 0.069 0.000 0.810 35 L CB 1.309 43.418 42.059 0.084 0.000 1.193 35 L HN 0.549 8.779 8.230 -0.000 0.000 0.425 36 V N 5.029 124.991 119.914 0.081 0.000 2.513 36 V HA 0.409 4.525 4.120 -0.006 0.000 0.299 36 V C -0.100 175.933 176.094 -0.103 0.000 1.035 36 V CA -0.963 61.341 62.300 0.006 0.000 0.889 36 V CB 1.741 33.541 31.823 -0.039 0.000 0.988 36 V HN 0.716 8.906 8.190 -0.000 0.000 0.440 37 K N 4.174 124.450 120.400 -0.208 0.000 2.267 37 K HA 0.471 4.787 4.320 -0.006 0.000 0.282 37 K C -0.870 175.492 176.600 -0.397 0.000 1.078 37 K CA -0.414 55.524 56.287 -0.582 0.000 0.903 37 K CB 1.093 33.332 32.500 -0.435 0.000 1.111 37 K HN 0.484 8.734 8.250 -0.000 0.000 0.475 38 V N 5.606 125.277 119.914 -0.405 0.000 2.521 38 V HA -0.030 4.086 4.120 -0.006 0.000 0.286 38 V C 1.231 177.182 176.094 -0.239 0.000 1.034 38 V CA -0.258 61.886 62.300 -0.261 0.000 1.045 38 V CB 1.157 32.849 31.823 -0.218 0.000 0.974 38 V HN 0.746 8.936 8.190 -0.000 0.000 0.480 39 V N 3.833 123.632 119.914 -0.192 0.000 2.426 39 V HA 0.377 4.493 4.120 -0.006 0.000 0.242 39 V C 0.815 176.827 176.094 -0.137 0.000 1.036 39 V CA 1.537 63.737 62.300 -0.166 0.000 1.044 39 V CB 0.127 31.854 31.823 -0.161 0.000 0.688 39 V HN 0.998 9.188 8.190 -0.000 0.000 0.462 40 A N -1.278 121.481 122.820 -0.102 0.000 2.605 40 A HA 0.683 4.999 4.320 -0.006 0.000 0.294 40 A C -0.759 176.806 177.584 -0.031 0.000 1.062 40 A CA -0.295 51.711 52.037 -0.053 0.000 0.682 40 A CB 1.556 20.581 19.000 0.041 0.000 1.278 40 A HN 0.052 8.202 8.150 -0.000 0.000 0.410 41 T N 1.046 115.604 114.554 0.006 0.000 2.881 41 T HA 0.620 4.966 4.350 -0.006 0.000 0.291 41 T C 0.429 175.177 174.700 0.080 0.000 0.990 41 T CA 0.152 62.266 62.100 0.023 0.000 0.976 41 T CB 1.571 70.481 68.868 0.070 0.000 0.970 41 T HN 1.407 9.647 8.240 -0.000 0.000 0.438 42 G N 2.191 110.991 108.800 -0.000 0.000 2.594 42 G HA2 0.488 4.445 3.960 -0.006 0.000 0.243 42 G HA3 0.488 4.445 3.960 -0.006 0.000 0.243 42 G C -0.431 174.489 174.900 0.034 0.000 1.229 42 G CA -0.418 44.678 45.100 -0.005 0.000 0.843 42 G HN 0.683 8.973 8.290 -0.000 0.000 0.578 43 M N 1.005 120.630 119.600 0.042 0.000 2.311 43 M HA 0.510 4.986 4.480 -0.006 0.000 0.325 43 M C -0.869 175.457 176.300 0.044 0.000 1.061 43 M CA -0.738 54.621 55.300 0.098 0.000 0.957 43 M CB 1.546 34.169 32.600 0.039 0.000 1.646 43 M HN 0.635 8.925 8.290 -0.000 0.000 0.434 44 C N 3.824 123.174 119.300 0.083 0.000 2.802 44 C HA 0.392 4.848 4.460 -0.006 0.000 0.307 44 C C 1.585 176.724 174.990 0.248 0.000 1.222 44 C CA -0.457 58.642 59.018 0.136 0.000 1.580 44 C CB 1.559 29.329 27.740 0.052 0.000 2.119 44 C HN 1.108 9.338 8.230 -0.000 0.000 0.479 45 H N 1.639 120.795 119.070 0.143 0.000 2.362 45 H HA -0.161 4.391 4.556 -0.006 0.000 0.294 45 H C 1.557 176.983 175.328 0.164 0.000 1.113 45 H CA 2.732 58.859 56.048 0.133 0.000 1.253 45 H CB 0.131 29.954 29.762 0.102 0.000 1.363 45 H HN 0.862 9.142 8.280 -0.000 0.000 0.494 46 T N 0.460 115.108 114.554 0.156 0.000 2.803 46 T HA -0.150 4.197 4.350 -0.006 0.000 0.269 46 T C 1.290 176.126 174.700 0.227 0.000 1.052 46 T CA 1.704 63.896 62.100 0.153 0.000 1.136 46 T CB -0.358 68.634 68.868 0.208 0.000 0.864 46 T HN 0.508 8.748 8.240 -0.000 0.000 0.467 47 D N 0.869 121.471 120.400 0.335 0.000 2.144 47 D HA 0.004 4.640 4.640 -0.006 0.000 0.199 47 D C 2.007 178.452 176.300 0.242 0.000 0.984 47 D CA 0.655 54.884 54.000 0.382 0.000 0.834 47 D CB -0.265 40.851 40.800 0.527 0.000 0.955 47 D HN 0.291 8.661 8.370 -0.000 0.000 0.465 48 L N 0.390 121.702 121.223 0.148 0.000 2.027 48 L HA -0.095 4.241 4.340 -0.006 0.000 0.206 48 L C 2.308 179.148 176.870 -0.049 0.000 1.074 48 L CA 0.730 55.598 54.840 0.047 0.000 0.745 48 L CB -0.672 41.394 42.059 0.012 0.000 0.898 48 L HN 0.178 8.408 8.230 -0.000 0.000 0.433 49 I N -2.535 117.943 120.570 -0.153 0.000 2.567 49 I HA -0.133 4.034 4.170 -0.006 0.000 0.257 49 I C 2.056 178.142 176.117 -0.051 0.000 1.184 49 I CA 1.303 62.505 61.300 -0.165 0.000 1.451 49 I CB -0.914 36.909 38.000 -0.294 0.000 1.089 49 I HN -0.120 8.090 8.210 -0.000 0.000 0.441 50 V N 1.035 120.975 119.914 0.044 0.000 2.788 50 V HA -0.036 4.080 4.120 -0.006 0.000 0.251 50 V C 2.753 178.859 176.094 0.020 0.000 1.068 50 V CA 1.630 63.991 62.300 0.102 0.000 1.090 50 V CB -0.885 31.038 31.823 0.167 0.000 0.710 50 V HN 0.544 8.734 8.190 -0.000 0.000 0.467 51 R N 0.591 121.078 120.500 -0.022 0.000 2.073 51 R HA -0.126 4.210 4.340 -0.006 0.000 0.229 51 R C 1.355 177.619 176.300 -0.060 0.000 1.120 51 R CA 1.760 57.810 56.100 -0.083 0.000 0.967 51 R CB -0.190 30.027 30.300 -0.138 0.000 0.862 51 R HN 0.405 8.675 8.270 -0.000 0.000 0.436 52 D N 1.257 121.633 120.400 -0.040 0.000 2.349 52 D HA -0.034 4.602 4.640 -0.006 0.000 0.224 52 D C 0.116 176.413 176.300 -0.005 0.000 1.029 52 D CA 0.309 54.293 54.000 -0.027 0.000 0.879 52 D CB 0.201 40.984 40.800 -0.028 0.000 0.906 52 D HN 0.179 8.549 8.370 -0.000 0.000 0.528 53 Q N -0.580 119.228 119.800 0.013 0.000 2.461 53 Q HA -0.245 4.091 4.340 -0.006 0.000 0.264 53 Q C 0.371 176.412 176.000 0.069 0.000 1.085 53 Q CA 0.620 56.453 55.803 0.050 0.000 1.006 53 Q CB -1.982 26.779 28.738 0.037 0.000 1.437 53 Q HN 0.473 8.743 8.270 -0.000 0.000 0.514 54 K N -0.260 120.166 120.400 0.042 0.000 2.611 54 K HA 0.019 4.336 4.320 -0.006 0.000 0.193 54 K C -0.258 176.451 176.600 0.181 0.000 1.026 54 K CA 0.578 56.893 56.287 0.047 0.000 1.063 54 K CB 0.255 32.731 32.500 -0.039 0.000 0.839 54 K HN 0.116 8.366 8.250 -0.000 0.000 0.505 55 Y N 0.169 120.486 120.300 0.029 0.000 2.348 55 Y HA 0.152 4.698 4.550 -0.006 0.000 0.321 55 Y C -2.492 173.440 175.900 0.054 0.000 1.163 55 Y CA -3.505 54.608 58.100 0.023 0.000 1.070 55 Y CB 1.653 40.100 38.460 -0.022 0.000 1.250 55 Y HN -0.098 8.182 8.280 -0.000 0.000 0.425 56 P HA 0.071 4.491 4.420 -0.000 0.000 0.238 56 P C -0.097 177.287 177.300 0.141 0.000 1.714 56 P CA 0.258 63.445 63.100 0.145 0.000 0.908 56 P CB -0.102 31.674 31.700 0.128 0.000 1.893 57 V N 4.045 124.055 119.914 0.161 0.000 2.555 57 V HA 0.146 4.262 4.120 -0.006 0.000 0.286 57 V C -1.627 174.520 176.094 0.088 0.000 1.044 57 V CA -1.526 60.864 62.300 0.150 0.000 1.026 57 V CB 0.663 32.599 31.823 0.188 0.000 0.981 57 V HN 0.258 8.448 8.190 -0.000 0.000 0.480 58 P HA 0.247 4.667 4.420 -0.000 0.000 0.276 58 P C -0.936 176.381 177.300 0.027 0.000 1.243 58 P CA -0.025 63.110 63.100 0.059 0.000 0.768 58 P CB 0.618 32.364 31.700 0.077 0.000 0.856 59 L N 5.981 127.209 121.223 0.008 0.000 2.322 59 L HA 0.521 4.858 4.340 -0.006 0.000 0.279 59 L C -1.470 175.391 176.870 -0.015 0.000 1.036 59 L CA -2.103 52.728 54.840 -0.016 0.000 0.807 59 L CB 1.246 43.288 42.059 -0.029 0.000 1.226 59 L HN 0.283 8.513 8.230 -0.000 0.000 0.433 60 P HA 0.594 5.014 4.420 -0.000 0.000 0.276 60 P C -1.220 176.057 177.300 -0.038 0.000 1.244 60 P CA -0.323 62.756 63.100 -0.035 0.000 0.801 60 P CB 2.017 33.697 31.700 -0.033 0.000 1.006 61 A N 0.896 123.698 122.820 -0.030 0.000 2.586 61 A HA 0.474 4.790 4.320 -0.006 0.000 0.291 61 A C -1.397 176.202 177.584 0.026 0.000 1.062 61 A CA -0.645 51.383 52.037 -0.015 0.000 0.666 61 A CB 1.014 19.992 19.000 -0.038 0.000 1.281 61 A HN 0.239 8.389 8.150 -0.000 0.000 0.421 62 V N 2.490 122.443 119.914 0.064 0.000 2.348 62 V HA 0.346 4.462 4.120 -0.006 0.000 0.270 62 V C 0.531 176.696 176.094 0.119 0.000 1.037 62 V CA 0.007 62.391 62.300 0.140 0.000 0.872 62 V CB -0.005 31.910 31.823 0.153 0.000 1.002 62 V HN 0.716 8.906 8.190 -0.000 0.000 0.464 63 L N 3.761 125.076 121.223 0.153 0.000 2.928 63 L HA 0.833 5.169 4.340 -0.006 0.000 0.162 63 L C 0.973 177.791 176.870 -0.086 0.000 1.540 63 L CA -0.151 54.719 54.840 0.050 0.000 1.836 63 L CB -0.133 41.941 42.059 0.026 0.000 2.626 63 L HN 0.792 9.022 8.230 -0.000 0.000 0.549 64 G N 0.217 108.653 108.800 -0.607 0.000 3.172 64 G HA2 -0.121 3.836 3.960 -0.006 0.000 0.686 64 G HA3 -0.121 3.836 3.960 -0.006 0.000 0.686 64 G C -0.363 174.293 174.900 -0.407 0.000 1.009 64 G CA 0.012 44.148 45.100 -1.607 0.000 0.787 64 G HN 1.119 9.409 8.290 -0.000 0.000 0.559 65 H N 0.152 118.923 119.070 -0.498 0.000 3.394 65 H HA 0.286 4.839 4.556 -0.006 0.000 0.256 65 H C 0.072 175.213 175.328 -0.313 0.000 1.180 65 H CA 0.310 56.088 56.048 -0.449 0.000 1.064 65 H CB 0.540 29.751 29.762 -0.919 0.000 1.854 65 H HN 0.556 8.836 8.280 -0.000 0.000 0.731 66 E N 1.564 121.499 120.200 -0.442 0.000 3.846 66 E HA 0.314 4.661 4.350 -0.006 0.000 0.216 66 E C 0.148 176.651 176.600 -0.163 0.000 1.092 66 E CA -0.535 55.691 56.400 -0.289 0.000 1.370 66 E CB 1.180 30.693 29.700 -0.313 0.000 1.227 66 E HN 0.471 8.831 8.360 -0.000 0.000 0.442 67 G N 0.914 109.633 108.800 -0.136 0.000 2.448 67 G HA2 0.434 4.390 3.960 -0.006 0.000 0.285 67 G HA3 0.434 4.390 3.960 -0.006 0.000 0.285 67 G C -0.136 174.717 174.900 -0.079 0.000 1.176 67 G CA -0.285 44.754 45.100 -0.102 0.000 0.852 67 G HN 0.196 8.486 8.290 -0.000 0.000 0.530 68 S N -0.435 115.219 115.700 -0.077 0.000 2.546 68 S HA 0.934 5.400 4.470 -0.006 0.000 0.274 68 S C -0.097 174.438 174.600 -0.109 0.000 1.121 68 S CA -0.048 58.108 58.200 -0.073 0.000 0.887 68 S CB 2.094 65.264 63.200 -0.049 0.000 1.094 68 S HN 1.852 10.162 8.310 -0.000 0.000 0.474 69 G N 0.630 109.355 108.800 -0.124 0.000 2.500 69 G HA2 0.559 4.515 3.960 -0.006 0.000 0.299 69 G HA3 0.559 4.515 3.960 -0.006 0.000 0.299 69 G C -2.048 172.748 174.900 -0.172 0.000 1.242 69 G CA -0.759 44.241 45.100 -0.167 0.000 0.859 69 G HN 0.875 9.165 8.290 -0.000 0.000 0.481 70 I N 0.748 121.228 120.570 -0.150 0.000 2.498 70 I HA 0.396 4.563 4.170 -0.006 0.000 0.290 70 I C -0.324 175.776 176.117 -0.029 0.000 1.032 70 I CA -0.716 60.533 61.300 -0.085 0.000 1.073 70 I CB 2.283 40.229 38.000 -0.091 0.000 1.251 70 I HN 0.279 8.489 8.210 -0.000 0.000 0.426 71 I N 4.718 125.298 120.570 0.016 0.000 2.533 71 I HA -0.014 4.153 4.170 -0.006 0.000 0.284 71 I C 1.086 177.230 176.117 0.046 0.000 1.109 71 I CA 0.596 61.913 61.300 0.028 0.000 1.412 71 I CB 0.771 38.790 38.000 0.031 0.000 1.396 71 I HN 0.710 8.920 8.210 -0.000 0.000 0.543 72 E N 5.008 125.249 120.200 0.068 0.000 2.413 72 E HA 0.394 4.740 4.350 -0.006 0.000 0.203 72 E C -0.331 176.311 176.600 0.070 0.000 0.957 72 E CA 0.099 56.557 56.400 0.098 0.000 0.950 72 E CB 0.719 30.543 29.700 0.208 0.000 0.957 72 E HN 0.699 9.059 8.360 -0.000 0.000 0.497 73 A N 0.649 123.502 122.820 0.055 0.000 2.572 73 A HA 0.487 4.803 4.320 -0.006 0.000 0.303 73 A C -1.095 176.504 177.584 0.025 0.000 1.059 73 A CA -0.732 51.325 52.037 0.034 0.000 0.788 73 A CB 0.079 19.095 19.000 0.027 0.000 1.282 73 A HN 0.292 8.442 8.150 -0.000 0.000 0.397 74 I N 0.508 121.088 120.570 0.016 0.000 2.648 74 I HA 0.910 5.077 4.170 -0.006 0.000 0.304 74 I C 0.628 176.748 176.117 0.005 0.000 1.009 74 I CA -0.869 60.437 61.300 0.009 0.000 1.114 74 I CB 1.946 39.951 38.000 0.007 0.000 1.293 74 I HN 0.729 8.939 8.210 -0.000 0.000 0.449 75 G N 2.675 111.475 108.800 0.001 0.000 2.621 75 G HA2 0.412 4.368 3.960 -0.006 0.000 0.271 75 G HA3 0.412 4.368 3.960 -0.006 0.000 0.271 75 G C -1.640 173.259 174.900 -0.002 0.000 1.236 75 G CA -1.096 44.004 45.100 -0.001 0.000 0.958 75 G HN 0.616 8.906 8.290 -0.000 0.000 0.512 76 P HA -0.058 4.362 4.420 -0.000 0.000 0.219 76 P C 0.836 178.134 177.300 -0.004 0.000 1.150 76 P CA 0.812 63.911 63.100 -0.003 0.000 0.814 76 P CB 0.281 31.980 31.700 -0.002 0.000 0.787 77 N N -0.234 118.462 118.700 -0.007 0.000 2.314 77 N HA 0.059 4.796 4.740 -0.006 0.000 0.200 77 N C 0.004 175.508 175.510 -0.010 0.000 1.135 77 N CA 0.082 53.127 53.050 -0.008 0.000 0.835 77 N CB 0.489 38.969 38.487 -0.011 0.000 0.989 77 N HN 0.059 8.439 8.380 -0.000 0.000 0.478 78 V N 1.824 121.733 119.914 -0.009 0.000 2.470 78 V HA 0.061 4.178 4.120 -0.006 0.000 0.276 78 V C 1.527 177.617 176.094 -0.006 0.000 1.040 78 V CA 0.413 62.708 62.300 -0.009 0.000 1.008 78 V CB 1.034 32.853 31.823 -0.007 0.000 0.990 78 V HN 0.330 8.520 8.190 -0.000 0.000 0.477 79 T N -0.192 114.358 114.554 -0.006 0.000 2.958 79 T HA 0.168 4.514 4.350 -0.006 0.000 0.256 79 T C 0.847 175.546 174.700 -0.001 0.000 0.983 79 T CA -0.203 61.896 62.100 -0.003 0.000 0.924 79 T CB 0.328 69.194 68.868 -0.003 0.000 1.136 79 T HN 0.473 8.713 8.240 -0.000 0.000 0.506 80 E N 0.972 121.171 120.200 -0.002 0.000 2.498 80 E HA 0.459 4.805 4.350 -0.006 0.000 0.203 80 E C -0.113 176.488 176.600 0.001 0.000 1.013 80 E CA -0.012 56.389 56.400 0.000 0.000 0.927 80 E CB 0.777 30.477 29.700 0.001 0.000 1.012 80 E HN 0.564 8.924 8.360 -0.000 0.000 0.482 81 L N 1.439 122.663 121.223 0.001 0.000 2.422 81 L HA 0.372 4.708 4.340 -0.006 0.000 0.264 81 L C -0.289 176.585 176.870 0.007 0.000 0.984 81 L CA -0.791 54.052 54.840 0.005 0.000 0.819 81 L CB 2.077 44.138 42.059 0.003 0.000 1.330 81 L HN -0.132 8.098 8.230 -0.000 0.000 0.410 82 Q N 1.168 120.975 119.800 0.011 0.000 2.433 82 Q HA 0.576 4.912 4.340 -0.006 0.000 0.279 82 Q C -0.898 175.115 176.000 0.021 0.000 1.105 82 Q CA -1.043 54.768 55.803 0.013 0.000 0.815 82 Q CB 2.539 31.283 28.738 0.010 0.000 1.403 82 Q HN 0.278 8.548 8.270 -0.000 0.000 0.435 83 V N 1.607 121.534 119.914 0.022 0.000 2.625 83 V HA 0.130 4.246 4.120 -0.006 0.000 0.305 83 V C 1.419 177.535 176.094 0.037 0.000 1.055 83 V CA 2.194 64.512 62.300 0.030 0.000 1.209 83 V CB -0.253 31.586 31.823 0.027 0.000 0.877 83 V HN 1.151 9.341 8.190 -0.000 0.000 0.489 84 G N 3.646 112.477 108.800 0.051 0.000 2.234 84 G HA2 -0.189 3.767 3.960 -0.006 0.000 0.235 84 G HA3 -0.189 3.767 3.960 -0.006 0.000 0.235 84 G C -0.000 174.965 174.900 0.109 0.000 0.997 84 G CA 0.015 45.158 45.100 0.072 0.000 0.623 84 G HN 0.667 8.957 8.290 -0.000 0.000 0.514 85 D N 1.094 121.542 120.400 0.080 0.000 2.423 85 D HA 0.274 4.910 4.640 -0.006 0.000 0.238 85 D C 0.527 176.942 176.300 0.193 0.000 1.142 85 D CA 0.323 54.380 54.000 0.095 0.000 0.884 85 D CB 0.139 40.969 40.800 0.051 0.000 1.199 85 D HN 0.532 8.902 8.370 -0.000 0.000 0.438 86 H N -0.279 118.787 119.070 -0.008 0.000 2.620 86 H HA 0.397 4.949 4.556 -0.007 0.000 0.313 86 H C 0.020 175.340 175.328 -0.013 0.000 1.075 86 H CA -0.801 55.240 56.048 -0.011 0.000 1.397 86 H CB 1.086 30.845 29.762 -0.004 0.000 1.446 86 H HN 0.095 8.375 8.280 -0.000 0.000 0.493 87 V N 1.104 121.053 119.914 0.058 0.000 3.078 87 V HA 0.528 4.645 4.120 -0.006 0.000 0.311 87 V C -0.539 175.549 176.094 -0.010 0.000 1.138 87 V CA -0.956 61.358 62.300 0.022 0.000 1.007 87 V CB 1.995 33.820 31.823 0.004 0.000 1.045 87 V HN 0.384 8.574 8.190 -0.000 0.000 0.432 88 V N 3.348 123.254 119.914 -0.013 0.000 2.417 88 V HA 0.487 4.603 4.120 -0.006 0.000 0.291 88 V C -0.244 175.829 176.094 -0.035 0.000 1.024 88 V CA -0.454 61.828 62.300 -0.030 0.000 0.861 88 V CB 1.512 33.316 31.823 -0.032 0.000 0.985 88 V HN 0.764 8.954 8.190 -0.000 0.000 0.436 89 L N 4.245 125.442 121.223 -0.043 0.000 2.262 89 L HA 0.515 4.852 4.340 -0.006 0.000 0.288 89 L C 0.469 177.323 176.870 -0.027 0.000 1.035 89 L CA 0.212 55.028 54.840 -0.041 0.000 0.820 89 L CB 1.389 43.419 42.059 -0.049 0.000 1.204 89 L HN 0.673 8.903 8.230 -0.000 0.000 0.424 90 S N 1.956 117.639 115.700 -0.027 0.000 2.719 90 S HA 0.502 4.968 4.470 -0.006 0.000 0.285 90 S C -0.255 174.365 174.600 0.034 0.000 1.137 90 S CA -0.549 57.643 58.200 -0.013 0.000 1.012 90 S CB 0.724 63.848 63.200 -0.127 0.000 1.134 90 S HN 0.375 8.685 8.310 -0.000 0.000 0.544 91 Y N -0.186 120.207 120.300 0.155 0.000 2.223 91 Y HA 0.565 5.111 4.550 -0.007 0.000 0.352 91 Y C 0.697 176.622 175.900 0.043 0.000 1.293 91 Y CA -0.670 57.503 58.100 0.122 0.000 1.601 91 Y CB -0.518 38.030 38.460 0.147 0.000 1.407 91 Y HN 0.514 8.794 8.280 -0.000 0.000 0.639 92 G N 0.994 109.819 108.800 0.042 0.000 2.329 92 G HA2 0.458 4.414 3.960 -0.006 0.000 0.309 92 G HA3 0.458 4.414 3.960 -0.006 0.000 0.309 92 G C -1.744 173.175 174.900 0.032 0.000 1.110 92 G CA -0.618 44.438 45.100 -0.073 0.000 0.923 92 G HN 0.793 9.083 8.290 -0.000 0.000 0.430 93 Y N -0.088 120.164 120.300 -0.079 0.000 2.545 93 Y HA 0.488 5.034 4.550 -0.006 0.000 0.348 93 Y C 1.008 176.897 175.900 -0.018 0.000 1.002 93 Y CA -1.804 56.294 58.100 -0.003 0.000 1.039 93 Y CB 0.753 39.272 38.460 0.098 0.000 1.271 93 Y HN 0.528 8.808 8.280 -0.000 0.000 0.467 94 C N 0.143 119.485 119.300 0.069 0.000 2.475 94 C HA 0.440 4.896 4.460 -0.006 0.000 0.279 94 C C 2.031 177.008 174.990 -0.023 0.000 1.322 94 C CA 0.789 59.797 59.018 -0.016 0.000 1.734 94 C CB -1.115 26.643 27.740 0.030 0.000 2.005 94 C HN 1.873 10.103 8.230 -0.000 0.000 0.495 95 G N 0.807 109.686 108.800 0.132 0.000 2.153 95 G HA2 -0.275 3.682 3.960 -0.006 0.000 0.252 95 G HA3 -0.275 3.682 3.960 -0.006 0.000 0.252 95 G C 0.688 175.639 174.900 0.084 0.000 0.994 95 G CA 0.892 46.082 45.100 0.150 0.000 0.698 95 G HN 0.693 8.983 8.290 -0.000 0.000 0.521 96 K N -1.105 119.336 120.400 0.069 0.000 2.538 96 K HA 0.211 4.527 4.320 -0.006 0.000 0.215 96 K C 1.744 178.377 176.600 0.055 0.000 1.345 96 K CA 0.387 56.702 56.287 0.047 0.000 0.985 96 K CB 0.498 33.013 32.500 0.024 0.000 1.116 96 K HN 0.662 8.912 8.250 -0.000 0.000 0.582 97 C N -0.043 119.300 119.300 0.072 0.000 2.574 97 C HA 0.293 4.749 4.460 -0.006 0.000 0.335 97 C C 2.115 177.146 174.990 0.069 0.000 1.493 97 C CA -0.516 58.543 59.018 0.068 0.000 2.217 97 C CB 0.697 28.484 27.740 0.079 0.000 2.056 97 C HN 0.214 8.444 8.230 -0.000 0.000 0.607 98 T N 0.305 114.895 114.554 0.061 0.000 2.708 98 T HA -0.161 4.185 4.350 -0.006 0.000 0.266 98 T C 1.843 176.582 174.700 0.065 0.000 1.037 98 T CA 2.493 64.625 62.100 0.053 0.000 1.146 98 T CB -0.380 68.514 68.868 0.042 0.000 0.865 98 T HN 0.775 9.015 8.240 -0.000 0.000 0.435 99 Q N 0.053 119.904 119.800 0.085 0.000 2.079 99 Q HA -0.015 4.321 4.340 -0.006 0.000 0.200 99 Q C 2.637 178.703 176.000 0.109 0.000 0.974 99 Q CA 1.276 57.142 55.803 0.106 0.000 0.840 99 Q CB -0.655 28.170 28.738 0.146 0.000 0.898 99 Q HN 0.541 8.811 8.270 -0.000 0.000 0.430 100 C N 0.834 120.209 119.300 0.125 0.000 2.429 100 C HA -0.066 4.391 4.460 -0.006 0.000 0.277 100 C C 1.997 177.050 174.990 0.106 0.000 1.262 100 C CA 0.594 59.697 59.018 0.141 0.000 1.733 100 C CB -1.013 26.857 27.740 0.215 0.000 2.010 100 C HN 0.546 8.776 8.230 -0.000 0.000 0.483 101 N N 0.923 119.673 118.700 0.084 0.000 2.459 101 N HA -0.077 4.660 4.740 -0.006 0.000 0.181 101 N C 1.464 177.004 175.510 0.050 0.000 1.046 101 N CA 1.648 54.736 53.050 0.063 0.000 0.904 101 N CB -0.527 37.990 38.487 0.050 0.000 0.964 101 N HN 0.735 9.115 8.380 -0.000 0.000 0.444 102 T N -3.546 111.039 114.554 0.050 0.000 3.145 102 T HA 0.396 4.742 4.350 -0.006 0.000 0.255 102 T C 1.107 175.828 174.700 0.036 0.000 1.039 102 T CA 0.093 62.216 62.100 0.038 0.000 0.928 102 T CB 0.171 69.059 68.868 0.033 0.000 1.029 102 T HN 0.213 8.453 8.240 -0.000 0.000 0.554 103 G N 2.134 110.957 108.800 0.039 0.000 2.149 103 G HA2 -0.214 3.742 3.960 -0.006 0.000 0.235 103 G HA3 -0.214 3.742 3.960 -0.006 0.000 0.235 103 G C -0.039 174.878 174.900 0.028 0.000 1.018 103 G CA -0.251 44.864 45.100 0.025 0.000 0.728 103 G HN 0.572 8.862 8.290 -0.000 0.000 0.508 104 N N 0.307 119.040 118.700 0.056 0.000 2.679 104 N HA 0.212 4.948 4.740 -0.006 0.000 0.302 104 N C -1.709 173.844 175.510 0.071 0.000 1.941 104 N CA -0.709 52.406 53.050 0.110 0.000 0.875 104 N CB 1.722 40.330 38.487 0.200 0.000 1.278 104 N HN 0.233 8.613 8.380 -0.000 0.000 0.490 105 P HA -0.101 4.319 4.420 -0.000 0.000 0.220 105 P C 1.277 178.598 177.300 0.036 0.000 1.148 105 P CA 0.824 63.872 63.100 -0.086 0.000 0.803 105 P CB 0.425 31.731 31.700 -0.656 0.000 0.782 106 A N -0.947 121.792 122.820 -0.135 0.000 2.076 106 A HA -0.169 4.147 4.320 -0.006 0.000 0.220 106 A C 1.396 178.498 177.584 -0.802 0.000 1.160 106 A CA 1.200 52.910 52.037 -0.544 0.000 0.653 106 A CB -1.535 16.931 19.000 -0.891 0.000 0.801 106 A HN 0.192 8.342 8.150 -0.000 0.000 0.455 107 Y N -1.581 118.703 120.300 -0.026 0.000 2.485 107 Y HA 0.215 4.761 4.550 -0.006 0.000 0.260 107 Y C 1.320 177.265 175.900 0.075 0.000 1.173 107 Y CA -1.447 56.638 58.100 -0.026 0.000 1.252 107 Y CB -1.176 37.258 38.460 -0.043 0.000 1.123 107 Y HN 0.292 8.572 8.280 -0.000 0.000 0.524 108 C N 2.249 121.676 119.300 0.211 0.000 2.275 108 C HA -0.075 4.382 4.460 -0.006 0.000 0.391 108 C C 2.181 177.303 174.990 0.219 0.000 1.503 108 C CA 0.947 60.105 59.018 0.234 0.000 1.502 108 C CB -0.316 27.600 27.740 0.294 0.000 2.529 108 C HN 0.714 8.944 8.230 -0.000 0.000 0.588 109 S N 2.374 118.171 115.700 0.161 0.000 2.547 109 S HA -0.054 4.412 4.470 -0.006 0.000 0.235 109 S C 0.922 175.603 174.600 0.136 0.000 0.980 109 S CA 1.336 59.616 58.200 0.133 0.000 0.941 109 S CB -0.326 62.929 63.200 0.092 0.000 0.763 109 S HN 0.933 9.243 8.310 -0.000 0.000 0.532 110 E N -0.310 119.977 120.200 0.144 0.000 2.499 110 E HA 0.244 4.590 4.350 -0.006 0.000 0.199 110 E C 0.450 177.131 176.600 0.135 0.000 1.016 110 E CA -0.442 56.026 56.400 0.114 0.000 0.933 110 E CB -0.102 29.632 29.700 0.057 0.000 1.050 110 E HN 0.500 8.860 8.360 -0.000 0.000 0.462 111 F N 0.961 120.957 119.950 0.077 0.000 2.025 111 F HA -0.272 4.251 4.527 -0.007 0.000 0.297 111 F C 1.811 177.659 175.800 0.081 0.000 1.132 111 F CA 1.620 59.647 58.000 0.045 0.000 1.191 111 F CB -0.185 38.824 39.000 0.016 0.000 0.963 111 F HN 0.101 8.401 8.300 -0.000 0.000 0.481 112 F N 0.420 120.516 119.950 0.245 0.000 2.449 112 F HA -0.028 4.496 4.527 -0.006 0.000 0.299 112 F C 2.104 177.962 175.800 0.097 0.000 1.092 112 F CA 1.323 59.451 58.000 0.213 0.000 1.446 112 F CB -0.570 38.502 39.000 0.120 0.000 1.084 112 F HN 0.017 8.317 8.300 -0.000 0.000 0.567 113 G N -0.853 107.999 108.800 0.086 0.000 2.656 113 G HA2 -0.037 3.919 3.960 -0.006 0.000 0.211 113 G HA3 -0.037 3.919 3.960 -0.006 0.000 0.211 113 G C 1.697 176.528 174.900 -0.115 0.000 1.137 113 G CA -0.149 44.956 45.100 0.008 0.000 0.802 113 G HN 0.242 8.532 8.290 -0.000 0.000 0.527 114 R N 0.086 120.465 120.500 -0.202 0.000 2.210 114 R HA 0.185 4.521 4.340 -0.006 0.000 0.203 114 R C 1.747 177.830 176.300 -0.362 0.000 1.010 114 R CA 0.680 56.634 56.100 -0.243 0.000 1.008 114 R CB 0.102 30.263 30.300 -0.231 0.000 0.923 114 R HN 0.271 8.541 8.270 -0.000 0.000 0.469 115 N N -1.133 117.198 118.700 -0.616 0.000 2.460 115 N HA 0.053 4.789 4.740 -0.006 0.000 0.193 115 N C 0.464 175.473 175.510 -0.835 0.000 1.080 115 N CA 0.631 53.099 53.050 -0.970 0.000 0.869 115 N CB 0.465 37.826 38.487 -1.876 0.000 1.201 115 N HN 0.061 8.441 8.380 -0.000 0.000 0.457 116 F N 1.207 120.859 119.950 -0.498 0.000 2.704 116 F HA 0.176 4.699 4.527 -0.006 0.000 0.304 116 F C 2.422 178.044 175.800 -0.296 0.000 1.094 116 F CA -0.149 57.589 58.000 -0.437 0.000 1.275 116 F CB 0.010 38.351 39.000 -1.099 0.000 1.073 116 F HN -0.065 8.235 8.300 -0.000 0.000 0.586 117 S N -0.312 115.355 115.700 -0.055 0.000 2.355 117 S HA 0.133 4.599 4.470 -0.006 0.000 0.222 117 S C 2.039 176.692 174.600 0.087 0.000 1.031 117 S CA 1.229 59.440 58.200 0.018 0.000 0.993 117 S CB -0.575 62.623 63.200 -0.004 0.000 0.859 117 S HN 0.534 8.844 8.310 -0.000 0.000 0.453 118 G N 0.334 109.209 108.800 0.124 0.000 2.184 118 G HA2 0.250 4.206 3.960 -0.006 0.000 0.206 118 G HA3 0.250 4.206 3.960 -0.006 0.000 0.206 118 G C 0.100 175.152 174.900 0.253 0.000 0.995 118 G CA -0.031 45.189 45.100 0.201 0.000 0.651 118 G HN 1.405 9.695 8.290 -0.000 0.000 0.511 119 A N -0.581 122.289 122.820 0.082 0.000 2.765 119 A HA 0.808 5.124 4.320 -0.006 0.000 0.305 119 A C -0.269 177.056 177.584 -0.430 0.000 1.229 119 A CA 0.565 52.520 52.037 -0.135 0.000 0.653 119 A CB 0.350 19.160 19.000 -0.316 0.000 1.375 119 A HN 0.783 8.933 8.150 -0.000 0.000 0.540 120 D N -0.797 119.222 120.400 -0.634 0.000 2.530 120 D HA 0.433 5.069 4.640 -0.006 0.000 0.282 120 D C 1.020 177.134 176.300 -0.310 0.000 1.204 120 D CA 0.422 54.034 54.000 -0.648 0.000 1.093 120 D CB -0.062 40.336 40.800 -0.670 0.000 1.154 120 D HN 0.143 8.513 8.370 -0.000 0.000 0.593 121 S N -0.940 114.627 115.700 -0.222 0.000 2.399 121 S HA -0.126 4.340 4.470 -0.006 0.000 0.231 121 S C 1.380 175.912 174.600 -0.113 0.000 1.022 121 S CA 1.393 59.513 58.200 -0.133 0.000 0.983 121 S CB -0.288 62.855 63.200 -0.095 0.000 0.803 121 S HN 0.491 8.801 8.310 -0.000 0.000 0.480 122 E N -0.816 119.306 120.200 -0.129 0.000 2.340 122 E HA 0.313 4.660 4.350 -0.006 0.000 0.198 122 E C 1.365 177.893 176.600 -0.120 0.000 0.961 122 E CA 0.534 56.873 56.400 -0.101 0.000 0.905 122 E CB 0.398 30.049 29.700 -0.081 0.000 0.884 122 E HN 0.437 8.797 8.360 -0.000 0.000 0.491 123 G N 0.368 109.052 108.800 -0.194 0.000 2.227 123 G HA2 -0.179 3.778 3.960 -0.006 0.000 0.168 123 G HA3 -0.179 3.778 3.960 -0.006 0.000 0.168 123 G C -0.218 174.456 174.900 -0.376 0.000 1.006 123 G CA -0.554 44.401 45.100 -0.242 0.000 0.684 123 G HN 0.068 8.358 8.290 -0.000 0.000 0.489 124 N N 0.946 119.479 118.700 -0.280 0.000 2.479 124 N HA 0.516 5.252 4.740 -0.006 0.000 0.257 124 N C -0.150 175.190 175.510 -0.283 0.000 1.232 124 N CA 0.380 53.313 53.050 -0.196 0.000 0.920 124 N CB 0.361 38.795 38.487 -0.087 0.000 1.105 124 N HN 0.535 8.915 8.380 -0.000 0.000 0.444 125 H N -0.644 118.472 119.070 0.076 0.000 2.529 125 H HA 0.535 5.087 4.556 -0.006 0.000 0.348 125 H C 0.201 175.627 175.328 0.163 0.000 1.152 125 H CA -0.747 55.393 56.048 0.154 0.000 1.202 125 H CB 1.720 31.550 29.762 0.114 0.000 1.562 125 H HN 0.644 8.924 8.280 -0.000 0.000 0.515 126 A N 2.926 125.937 122.820 0.318 0.000 2.238 126 A HA 0.197 4.513 4.320 -0.006 0.000 0.210 126 A C 0.168 177.811 177.584 0.098 0.000 1.179 126 A CA 0.165 52.297 52.037 0.158 0.000 0.827 126 A CB 0.097 19.137 19.000 0.068 0.000 0.856 126 A HN 0.477 8.627 8.150 -0.000 0.000 0.488 127 L N -0.173 121.121 121.223 0.117 0.000 2.296 127 L HA 0.404 4.740 4.340 -0.006 0.000 0.286 127 L C -0.350 176.560 176.870 0.066 0.000 1.023 127 L CA -0.656 54.229 54.840 0.075 0.000 0.812 127 L CB 1.582 43.679 42.059 0.064 0.000 1.223 127 L HN 0.240 8.470 8.230 -0.000 0.000 0.421 136 N N 4.983 123.513 118.700 -0.284 0.000 2.513 136 N HA 0.401 5.138 4.740 -0.006 0.000 0.268 136 N C -0.338 175.202 175.510 0.051 0.000 1.180 136 N CA 0.374 53.329 53.050 -0.158 0.000 0.948 136 N CB 1.462 39.958 38.487 0.016 0.000 1.083 136 N HN 0.926 9.306 8.380 -0.000 0.000 0.455 137 D N -0.620 119.937 120.400 0.261 0.000 3.096 137 D HA 0.220 4.856 4.640 -0.006 0.000 0.277 137 D C -0.344 176.166 176.300 0.350 0.000 1.256 137 D CA -0.426 53.725 54.000 0.252 0.000 1.044 137 D CB 0.218 41.132 40.800 0.190 0.000 1.318 137 D HN 0.521 8.891 8.370 -0.000 0.000 0.622 138 H N -1.924 117.239 119.070 0.155 0.000 2.820 138 H HA -0.175 4.377 4.556 -0.006 0.000 0.295 138 H C -0.779 174.616 175.328 0.113 0.000 1.187 138 H CA 0.708 56.815 56.048 0.097 0.000 1.144 138 H CB -1.878 27.916 29.762 0.054 0.000 1.354 138 H HN 0.271 8.551 8.280 -0.000 0.000 0.395 139 F N 0.598 120.593 119.950 0.074 0.000 2.444 139 F HA 0.296 4.819 4.527 -0.006 0.000 0.360 139 F C 0.123 176.000 175.800 0.127 0.000 1.106 139 F CA -0.747 57.294 58.000 0.068 0.000 1.170 139 F CB -0.257 38.795 39.000 0.088 0.000 1.113 139 F HN 0.185 8.485 8.300 -0.000 0.000 0.521 140 F N 3.818 123.317 119.950 -0.750 0.000 3.093 140 F HA -0.254 4.270 4.527 -0.006 0.000 0.287 140 F C 1.160 176.772 175.800 -0.313 0.000 0.882 140 F CA 0.576 58.178 58.000 -0.662 0.000 1.063 140 F CB -1.749 36.809 39.000 -0.737 0.000 1.097 140 F HN 0.919 9.219 8.300 -0.000 0.000 0.604 141 A N -0.579 122.187 122.820 -0.091 0.000 2.799 141 A HA -0.259 4.057 4.320 -0.006 0.000 0.287 141 A C 1.456 179.017 177.584 -0.038 0.000 1.484 141 A CA 2.262 54.281 52.037 -0.029 0.000 0.813 141 A CB -1.629 17.334 19.000 -0.061 0.000 1.009 141 A HN 1.081 9.231 8.150 -0.000 0.000 0.545 142 Q N -4.043 115.743 119.800 -0.024 0.000 2.439 142 Q HA 0.397 4.733 4.340 -0.006 0.000 0.193 142 Q C 0.614 176.607 176.000 -0.010 0.000 0.724 142 Q CA 0.501 56.282 55.803 -0.037 0.000 0.919 142 Q CB -0.099 28.616 28.738 -0.038 0.000 1.289 142 Q HN 1.150 9.420 8.270 -0.000 0.000 0.440 143 S N 1.249 116.990 115.700 0.068 0.000 3.697 143 S HA -0.126 4.340 4.470 -0.006 0.000 0.388 143 S C 0.456 175.071 174.600 0.025 0.000 0.941 143 S CA 0.657 58.927 58.200 0.118 0.000 1.247 143 S CB -1.340 61.922 63.200 0.103 0.000 0.904 143 S HN 0.738 9.048 8.310 -0.000 0.000 0.518 144 S N -0.568 115.086 115.700 -0.077 0.000 2.710 144 S HA 0.257 4.724 4.470 -0.006 0.000 0.224 144 S C 0.216 174.771 174.600 -0.075 0.000 0.948 144 S CA -0.314 57.825 58.200 -0.101 0.000 0.949 144 S CB -0.276 62.846 63.200 -0.130 0.000 0.778 144 S HN 0.399 8.709 8.310 -0.000 0.000 0.498 145 F N 3.220 123.205 119.950 0.059 0.000 2.666 145 F HA 0.692 5.215 4.527 -0.007 0.000 0.362 145 F C 0.862 176.729 175.800 0.113 0.000 1.190 145 F CA -1.307 56.717 58.000 0.041 0.000 1.328 145 F CB -0.917 38.135 39.000 0.088 0.000 1.682 145 F HN 0.389 8.689 8.300 -0.000 0.000 0.623 146 A N -0.287 122.621 122.820 0.148 0.000 2.610 146 A HA 0.511 4.827 4.320 -0.006 0.000 0.291 146 A C 0.922 178.494 177.584 -0.021 0.000 1.086 146 A CA -0.119 51.999 52.037 0.135 0.000 0.677 146 A CB 0.474 19.576 19.000 0.170 0.000 1.278 146 A HN 0.266 8.416 8.150 -0.000 0.000 0.414 147 T N -1.863 112.719 114.554 0.047 0.000 2.915 147 T HA 0.103 4.449 4.350 -0.006 0.000 0.269 147 T C 0.234 174.813 174.700 -0.200 0.000 1.071 147 T CA 1.485 63.552 62.100 -0.056 0.000 1.132 147 T CB -0.391 68.539 68.868 0.104 0.000 0.878 147 T HN 0.484 8.724 8.240 -0.000 0.000 0.479 148 Y N 0.506 120.811 120.300 0.008 0.000 2.477 148 Y HA 0.657 5.203 4.550 -0.006 0.000 0.347 148 Y C -0.153 175.742 175.900 -0.007 0.000 0.981 148 Y CA -1.270 56.828 58.100 -0.004 0.000 1.033 148 Y CB 2.186 40.648 38.460 0.004 0.000 1.245 148 Y HN 0.280 8.560 8.280 -0.000 0.000 0.455 149 A N 2.885 125.761 122.820 0.094 0.000 2.435 149 A HA 0.771 5.087 4.320 -0.006 0.000 0.304 149 A C -2.232 175.370 177.584 0.030 0.000 1.064 149 A CA -0.678 51.381 52.037 0.037 0.000 0.727 149 A CB 1.480 20.467 19.000 -0.020 0.000 1.284 149 A HN 0.663 8.813 8.150 -0.000 0.000 0.415 150 L N 2.296 123.510 121.223 -0.015 0.000 2.287 150 L HA 0.701 5.037 4.340 -0.006 0.000 0.287 150 L C 0.411 177.242 176.870 -0.066 0.000 1.022 150 L CA 0.436 55.256 54.840 -0.034 0.000 0.814 150 L CB 1.467 43.493 42.059 -0.054 0.000 1.217 150 L HN 0.929 9.159 8.230 -0.000 0.000 0.420 151 S N 4.341 120.015 115.700 -0.044 0.000 2.823 151 S HA 0.781 5.247 4.470 -0.006 0.000 0.316 151 S C -0.450 174.123 174.600 -0.046 0.000 1.116 151 S CA -1.082 57.088 58.200 -0.051 0.000 0.911 151 S CB 1.502 64.673 63.200 -0.047 0.000 1.276 151 S HN 0.468 8.778 8.310 -0.000 0.000 0.565 152 R N 0.635 121.097 120.500 -0.063 0.000 2.787 152 R HA 0.469 4.805 4.340 -0.006 0.000 0.271 152 R C 1.149 177.398 176.300 -0.085 0.000 0.993 152 R CA -0.808 55.245 56.100 -0.078 0.000 0.993 152 R CB 0.689 30.917 30.300 -0.119 0.000 1.155 152 R HN 1.000 9.270 8.270 -0.000 0.000 0.486 153 E N 1.295 121.447 120.200 -0.080 0.000 2.077 153 E HA -0.232 4.114 4.350 -0.006 0.000 0.193 153 E C 1.037 177.585 176.600 -0.087 0.000 0.989 153 E CA 1.753 58.114 56.400 -0.065 0.000 0.800 153 E CB 0.142 29.812 29.700 -0.050 0.000 0.746 153 E HN 0.551 8.911 8.360 -0.000 0.000 0.452 154 N N 1.293 119.897 118.700 -0.160 0.000 2.396 154 N HA -0.182 4.555 4.740 -0.006 0.000 0.180 154 N C 0.918 176.335 175.510 -0.156 0.000 1.028 154 N CA 1.339 54.266 53.050 -0.205 0.000 0.893 154 N CB -0.647 37.573 38.487 -0.444 0.000 0.967 154 N HN 0.274 8.654 8.380 -0.000 0.000 0.440 155 N N -0.761 117.844 118.700 -0.159 0.000 2.268 155 N HA 0.007 4.743 4.740 -0.006 0.000 0.204 155 N C -0.859 174.621 175.510 -0.049 0.000 1.124 155 N CA -0.109 52.899 53.050 -0.071 0.000 0.838 155 N CB -0.132 38.300 38.487 -0.092 0.000 0.994 155 N HN -0.058 8.322 8.380 -0.000 0.000 0.489 156 T N 1.141 115.670 114.554 -0.042 0.000 2.788 156 T HA 0.346 4.692 4.350 -0.006 0.000 0.296 156 T C -0.340 174.352 174.700 -0.014 0.000 1.009 156 T CA -0.499 61.584 62.100 -0.029 0.000 0.949 156 T CB 1.887 70.738 68.868 -0.029 0.000 0.946 156 T HN -0.089 8.151 8.240 -0.000 0.000 0.453 157 V N 4.238 124.146 119.914 -0.011 0.000 2.333 157 V HA 0.353 4.469 4.120 -0.006 0.000 0.274 157 V C 0.526 176.623 176.094 0.005 0.000 1.028 157 V CA -1.118 61.180 62.300 -0.003 0.000 0.851 157 V CB 0.851 32.668 31.823 -0.010 0.000 1.000 157 V HN 0.755 8.945 8.190 -0.000 0.000 0.456 158 K N 4.781 125.187 120.400 0.010 0.000 2.416 158 K HA 0.406 4.723 4.320 -0.006 0.000 0.283 158 K C -0.323 176.290 176.600 0.021 0.000 1.037 158 K CA -0.168 56.131 56.287 0.020 0.000 0.995 158 K CB 0.802 33.311 32.500 0.015 0.000 0.938 158 K HN 0.689 8.939 8.250 -0.000 0.000 0.475 159 V N 0.280 120.218 119.914 0.040 0.000 3.126 159 V HA 0.460 4.576 4.120 -0.006 0.000 0.314 159 V C -0.026 176.089 176.094 0.035 0.000 1.138 159 V CA -1.041 61.282 62.300 0.038 0.000 1.034 159 V CB 1.440 33.291 31.823 0.047 0.000 1.075 159 V HN 0.814 9.004 8.190 -0.000 0.000 0.442 160 T N 0.481 115.051 114.554 0.026 0.000 2.932 160 T HA 0.187 4.534 4.350 -0.006 0.000 0.312 160 T C 0.852 175.531 174.700 -0.035 0.000 1.071 160 T CA 0.296 62.393 62.100 -0.006 0.000 1.128 160 T CB 0.396 69.275 68.868 0.018 0.000 0.984 160 T HN 0.868 9.108 8.240 -0.000 0.000 0.549 161 K N 2.415 122.719 120.400 -0.160 0.000 2.487 161 K HA 0.035 4.351 4.320 -0.006 0.000 0.192 161 K C 0.557 177.125 176.600 -0.054 0.000 1.027 161 K CA 0.237 56.353 56.287 -0.284 0.000 1.054 161 K CB 0.262 32.484 32.500 -0.464 0.000 0.824 161 K HN 0.517 8.767 8.250 -0.000 0.000 0.510 162 D N 0.389 120.787 120.400 -0.003 0.000 2.349 162 D HA -0.000 4.636 4.640 -0.006 0.000 0.224 162 D C -0.240 176.107 176.300 0.078 0.000 1.029 162 D CA 0.446 54.465 54.000 0.030 0.000 0.879 162 D CB 0.433 41.247 40.800 0.023 0.000 0.906 162 D HN -0.148 8.222 8.370 -0.000 0.000 0.528 163 V N 1.102 121.085 119.914 0.115 0.000 2.735 163 V HA 0.311 4.427 4.120 -0.006 0.000 0.310 163 V C -2.276 173.907 176.094 0.147 0.000 1.061 163 V CA -2.062 60.332 62.300 0.156 0.000 0.913 163 V CB 2.286 34.236 31.823 0.211 0.000 1.005 163 V HN -0.171 8.019 8.190 -0.000 0.000 0.428 164 P HA 0.068 4.488 4.420 -0.000 0.000 0.261 164 P C 0.602 177.952 177.300 0.085 0.000 1.183 164 P CA 0.121 63.274 63.100 0.089 0.000 0.761 164 P CB 0.448 32.190 31.700 0.070 0.000 0.785 165 I N 3.963 124.559 120.570 0.044 0.000 2.830 165 I HA -0.158 4.008 4.170 -0.006 0.000 0.263 165 I C 1.805 177.924 176.117 0.003 0.000 1.230 165 I CA 1.116 62.416 61.300 0.001 0.000 1.480 165 I CB -0.543 37.350 38.000 -0.178 0.000 1.095 165 I HN 0.360 8.570 8.210 -0.000 0.000 0.455 166 E N -0.085 120.128 120.200 0.022 0.000 2.208 166 E HA -0.216 4.130 4.350 -0.006 0.000 0.193 166 E C 1.922 178.650 176.600 0.213 0.000 0.988 166 E CA 0.921 57.370 56.400 0.080 0.000 0.828 166 E CB -0.728 28.985 29.700 0.022 0.000 0.763 166 E HN 0.411 8.771 8.360 -0.000 0.000 0.478 167 L N 0.830 122.176 121.223 0.204 0.000 2.395 167 L HA 0.099 4.435 4.340 -0.006 0.000 0.218 167 L C 2.067 179.033 176.870 0.160 0.000 1.130 167 L CA 0.893 55.835 54.840 0.170 0.000 0.826 167 L CB -0.179 41.945 42.059 0.108 0.000 0.941 167 L HN 0.092 8.322 8.230 -0.000 0.000 0.451 168 L N -2.043 119.247 121.223 0.111 0.000 2.529 168 L HA 0.187 4.523 4.340 -0.006 0.000 0.223 168 L C 2.344 179.210 176.870 -0.006 0.000 1.113 168 L CA 0.517 55.395 54.840 0.063 0.000 0.861 168 L CB -0.977 41.105 42.059 0.038 0.000 1.012 168 L HN 0.293 8.523 8.230 -0.000 0.000 0.461 169 G N 2.162 110.960 108.800 -0.004 0.000 2.574 169 G HA2 -0.248 3.708 3.960 -0.006 0.000 0.220 169 G HA3 -0.248 3.708 3.960 -0.006 0.000 0.220 169 G C -0.689 174.170 174.900 -0.068 0.000 1.173 169 G CA 0.958 46.033 45.100 -0.042 0.000 0.772 169 G HN 0.304 8.594 8.290 -0.000 0.000 0.585 170 P HA -0.041 4.379 4.420 -0.000 0.000 0.220 170 P C 1.864 179.102 177.300 -0.105 0.000 1.144 170 P CA 0.587 63.642 63.100 -0.074 0.000 0.800 170 P CB -0.128 31.561 31.700 -0.019 0.000 0.772 171 L N -1.682 119.445 121.223 -0.160 0.000 2.191 171 L HA -0.057 4.279 4.340 -0.006 0.000 0.212 171 L C 2.391 179.220 176.870 -0.068 0.000 1.103 171 L CA 1.417 56.147 54.840 -0.184 0.000 0.769 171 L CB -1.312 40.592 42.059 -0.259 0.000 0.908 171 L HN 0.068 8.298 8.230 -0.000 0.000 0.438 172 G N -2.002 106.771 108.800 -0.045 0.000 2.776 172 G HA2 -0.100 3.856 3.960 -0.006 0.000 0.209 172 G HA3 -0.100 3.856 3.960 -0.006 0.000 0.209 172 G C 0.957 175.917 174.900 0.100 0.000 1.145 172 G CA 0.697 45.807 45.100 0.017 0.000 0.791 172 G HN 0.460 8.750 8.290 -0.000 0.000 0.530 173 C N -2.406 116.934 119.300 0.066 0.000 3.388 173 C HA 0.511 4.967 4.460 -0.006 0.000 0.115 173 C C 2.886 177.940 174.990 0.107 0.000 2.686 173 C CA 1.371 60.465 59.018 0.127 0.000 0.836 173 C CB -0.240 27.554 27.740 0.089 0.000 1.524 173 C HN 0.308 8.538 8.230 -0.000 0.000 0.645 174 G N 2.007 110.844 108.800 0.062 0.000 2.440 174 G HA2 -0.107 3.849 3.960 -0.006 0.000 0.218 174 G HA3 -0.107 3.849 3.960 -0.006 0.000 0.218 174 G C 1.247 176.199 174.900 0.085 0.000 1.154 174 G CA 1.654 46.805 45.100 0.084 0.000 0.767 174 G HN 0.586 8.876 8.290 -0.000 0.000 0.552 175 I N 1.760 122.357 120.570 0.044 0.000 2.252 175 I HA -0.167 3.999 4.170 -0.006 0.000 0.245 175 I C 2.960 179.147 176.117 0.116 0.000 1.102 175 I CA 1.520 62.852 61.300 0.054 0.000 1.385 175 I CB -1.491 36.448 38.000 -0.102 0.000 1.064 175 I HN 0.518 8.728 8.210 -0.000 0.000 0.414 176 Q N 0.702 120.565 119.800 0.105 0.000 2.167 176 Q HA -0.142 4.194 4.340 -0.006 0.000 0.202 176 Q C 1.889 178.036 176.000 0.245 0.000 0.970 176 Q CA 1.958 57.896 55.803 0.226 0.000 0.855 176 Q CB -0.736 28.153 28.738 0.252 0.000 0.911 176 Q HN 0.331 8.601 8.270 -0.000 0.000 0.438 177 T N 0.730 115.389 114.554 0.174 0.000 2.737 177 T HA -0.066 4.280 4.350 -0.006 0.000 0.265 177 T C 1.788 176.574 174.700 0.144 0.000 1.038 177 T CA 1.402 63.588 62.100 0.143 0.000 1.144 177 T CB -0.535 68.413 68.868 0.134 0.000 0.866 177 T HN 0.637 8.877 8.240 -0.000 0.000 0.434 178 G N 0.795 109.691 108.800 0.161 0.000 2.394 178 G HA2 0.083 4.040 3.960 -0.006 0.000 0.214 178 G HA3 0.083 4.040 3.960 -0.006 0.000 0.214 178 G C 1.832 176.835 174.900 0.172 0.000 1.176 178 G CA 0.773 45.974 45.100 0.169 0.000 0.786 178 G HN 0.547 8.837 8.290 -0.000 0.000 0.533 179 A N 0.929 123.878 122.820 0.216 0.000 1.898 179 A HA 0.184 4.501 4.320 -0.006 0.000 0.216 179 A C 2.684 180.391 177.584 0.206 0.000 1.181 179 A CA 2.030 54.197 52.037 0.217 0.000 0.620 179 A CB -1.047 18.061 19.000 0.180 0.000 0.819 179 A HN 0.504 8.654 8.150 -0.000 0.000 0.442 180 G N -0.523 108.411 108.800 0.223 0.000 2.432 180 G HA2 0.018 3.974 3.960 -0.006 0.000 0.219 180 G HA3 0.018 3.974 3.960 -0.006 0.000 0.219 180 G C 1.690 176.531 174.900 -0.099 0.000 1.135 180 G CA 1.370 46.397 45.100 -0.122 0.000 0.767 180 G HN 0.775 9.065 8.290 -0.000 0.000 0.550 181 A N -0.174 122.653 122.820 0.012 0.000 1.902 181 A HA -0.107 4.210 4.320 -0.006 0.000 0.217 181 A C 2.586 180.172 177.584 0.004 0.000 1.181 181 A CA 1.822 53.878 52.037 0.032 0.000 0.623 181 A CB -1.127 17.935 19.000 0.103 0.000 0.818 181 A HN 0.503 8.653 8.150 -0.000 0.000 0.443 182 C N -0.874 118.407 119.300 -0.032 0.000 2.476 182 C HA 0.062 4.519 4.460 -0.006 0.000 0.278 182 C C 2.562 177.450 174.990 -0.171 0.000 1.274 182 C CA 1.060 59.988 59.018 -0.150 0.000 1.713 182 C CB -1.236 26.347 27.740 -0.261 0.000 2.039 182 C HN 0.579 8.809 8.230 -0.000 0.000 0.484 183 I N 1.441 121.930 120.570 -0.134 0.000 2.277 183 I HA -0.085 4.081 4.170 -0.006 0.000 0.243 183 I C 2.112 178.119 176.117 -0.183 0.000 1.094 183 I CA 1.394 62.610 61.300 -0.141 0.000 1.393 183 I CB -0.433 37.538 38.000 -0.047 0.000 1.078 183 I HN 0.432 8.642 8.210 -0.000 0.000 0.417 184 N N 0.543 119.091 118.700 -0.252 0.000 2.387 184 N HA 0.078 4.815 4.740 -0.006 0.000 0.176 184 N C 1.669 177.107 175.510 -0.121 0.000 1.022 184 N CA 1.243 54.157 53.050 -0.227 0.000 0.883 184 N CB 0.012 38.299 38.487 -0.334 0.000 1.019 184 N HN 0.277 8.657 8.380 -0.000 0.000 0.435 185 A N 1.243 124.011 122.820 -0.088 0.000 1.881 185 A HA 0.219 4.535 4.320 -0.006 0.000 0.210 185 A C 2.280 179.870 177.584 0.010 0.000 1.239 185 A CA 0.280 52.304 52.037 -0.023 0.000 0.629 185 A CB -0.689 18.317 19.000 0.011 0.000 0.906 185 A HN 0.053 8.203 8.150 -0.000 0.000 0.460 186 L N -1.119 120.118 121.223 0.023 0.000 2.027 186 L HA -0.074 4.262 4.340 -0.006 0.000 0.206 186 L C 0.186 177.084 176.870 0.047 0.000 1.074 186 L CA 1.269 56.167 54.840 0.097 0.000 0.745 186 L CB -0.469 41.668 42.059 0.130 0.000 0.898 186 L HN 0.402 8.632 8.230 -0.000 0.000 0.433 187 K N -0.144 120.188 120.400 -0.114 0.000 3.898 187 K HA -0.123 4.193 4.320 -0.006 0.000 0.282 187 K C -0.542 175.788 176.600 -0.451 0.000 1.014 187 K CA -0.296 55.877 56.287 -0.190 0.000 0.848 187 K CB -1.925 30.527 32.500 -0.079 0.000 1.469 187 K HN 0.015 8.265 8.250 -0.000 0.000 0.446 188 V N 1.540 121.014 119.914 -0.734 0.000 2.720 188 V HA -0.049 4.067 4.120 -0.006 0.000 0.307 188 V C 1.364 177.156 176.094 -0.504 0.000 1.071 188 V CA 0.959 62.604 62.300 -1.092 0.000 1.199 188 V CB 0.768 32.131 31.823 -0.767 0.000 0.900 188 V HN 0.606 8.796 8.190 -0.000 0.000 0.494 189 T N 3.837 118.204 114.554 -0.311 0.000 2.945 189 T HA 0.565 4.911 4.350 -0.006 0.000 0.286 189 T C -2.785 171.916 174.700 0.003 0.000 1.025 189 T CA -2.482 59.589 62.100 -0.049 0.000 1.039 189 T CB 1.751 70.678 68.868 0.100 0.000 1.068 189 T HN 0.423 8.663 8.240 -0.000 0.000 0.497 190 P HA 0.344 4.764 4.420 -0.000 0.000 0.265 190 P C 0.613 177.943 177.300 0.050 0.000 1.193 190 P CA 1.041 64.154 63.100 0.020 0.000 0.765 190 P CB 0.309 32.018 31.700 0.016 0.000 0.823 191 A N 1.608 124.460 122.820 0.055 0.000 3.383 191 A HA -0.185 4.131 4.320 -0.006 0.000 0.264 191 A C 0.911 178.553 177.584 0.097 0.000 1.154 191 A CA 1.302 53.379 52.037 0.067 0.000 1.179 191 A CB -2.751 16.283 19.000 0.056 0.000 1.133 191 A HN 0.624 8.774 8.150 -0.000 0.000 0.933 192 S N 0.164 115.944 115.700 0.134 0.000 2.686 192 S HA 0.724 5.190 4.470 -0.006 0.000 0.270 192 S C 0.335 175.058 174.600 0.205 0.000 1.194 192 S CA 0.364 58.687 58.200 0.204 0.000 0.990 192 S CB 1.383 64.815 63.200 0.386 0.000 1.029 192 S HN 2.035 10.345 8.310 -0.000 0.000 0.560 193 S N 0.243 116.087 115.700 0.240 0.000 2.454 193 S HA 0.723 5.189 4.470 -0.006 0.000 0.306 193 S C -1.052 173.754 174.600 0.343 0.000 1.100 193 S CA -0.751 57.578 58.200 0.215 0.000 1.087 193 S CB 0.496 63.761 63.200 0.109 0.000 1.019 193 S HN 0.760 9.070 8.310 -0.000 0.000 0.480 194 F N 2.811 122.845 119.950 0.139 0.000 2.576 194 F HA 0.782 5.305 4.527 -0.007 0.000 0.313 194 F C -1.182 174.658 175.800 0.066 0.000 1.078 194 F CA -0.977 57.111 58.000 0.146 0.000 0.921 194 F CB 1.982 41.049 39.000 0.112 0.000 1.232 194 F HN 0.680 8.980 8.300 -0.000 0.000 0.459 195 V N 4.016 123.338 119.914 -0.986 0.000 2.760 195 V HA 0.602 4.718 4.120 -0.006 0.000 0.309 195 V C -1.392 174.044 176.094 -1.096 0.000 1.077 195 V CA -0.197 61.608 62.300 -0.824 0.000 0.910 195 V CB 2.105 33.591 31.823 -0.562 0.000 1.008 195 V HN 0.970 9.160 8.190 -0.000 0.000 0.424 196 T N 6.638 120.805 114.554 -0.645 0.000 2.756 196 T HA 0.464 4.810 4.350 -0.006 0.000 0.290 196 T C -1.059 173.522 174.700 -0.198 0.000 0.985 196 T CA -0.195 61.734 62.100 -0.285 0.000 0.955 196 T CB 0.154 69.042 68.868 0.033 0.000 0.930 196 T HN 0.652 8.892 8.240 -0.000 0.000 0.451 197 W N 4.102 125.356 121.300 -0.076 0.000 2.437 197 W HA 0.535 5.192 4.660 -0.005 0.000 0.312 197 W C 1.019 177.534 176.519 -0.007 0.000 1.242 197 W CA 0.418 57.740 57.345 -0.037 0.000 1.340 197 W CB 0.411 29.851 29.460 -0.034 0.000 1.327 197 W HN 1.175 9.355 8.180 -0.000 0.000 0.476 198 G N 1.997 110.883 108.800 0.144 0.000 3.225 198 G HA2 0.256 4.212 3.960 -0.006 0.000 0.686 198 G HA3 0.256 4.212 3.960 -0.006 0.000 0.686 198 G C -0.539 174.400 174.900 0.065 0.000 1.105 198 G CA -0.641 44.520 45.100 0.101 0.000 0.831 198 G HN 1.077 9.367 8.290 -0.000 0.000 0.578 199 A N 1.785 124.631 122.820 0.042 0.000 3.154 199 A HA 0.817 5.133 4.320 -0.006 0.000 0.310 199 A C 1.200 178.805 177.584 0.035 0.000 1.093 199 A CA 1.013 53.072 52.037 0.037 0.000 1.006 199 A CB -0.110 18.902 19.000 0.020 0.000 1.084 199 A HN 2.100 10.250 8.150 -0.000 0.000 0.549 200 G N -1.064 107.759 108.800 0.039 0.000 2.543 200 G HA2 0.471 4.427 3.960 -0.006 0.000 0.267 200 G HA3 0.471 4.427 3.960 -0.006 0.000 0.267 200 G C 1.186 176.113 174.900 0.044 0.000 1.406 200 G CA 0.177 45.294 45.100 0.030 0.000 1.048 200 G HN 0.678 8.968 8.290 -0.000 0.000 0.548 201 A N -1.451 121.396 122.820 0.045 0.000 1.933 201 A HA 0.041 4.358 4.320 -0.006 0.000 0.218 201 A C 2.489 180.120 177.584 0.078 0.000 1.175 201 A CA 1.950 54.019 52.037 0.055 0.000 0.628 201 A CB -0.629 18.402 19.000 0.051 0.000 0.814 201 A HN 0.437 8.587 8.150 -0.000 0.000 0.444 202 V N -0.154 119.813 119.914 0.089 0.000 2.270 202 V HA -0.166 3.950 4.120 -0.006 0.000 0.245 202 V C 2.866 179.040 176.094 0.133 0.000 1.043 202 V CA 2.014 64.383 62.300 0.114 0.000 1.014 202 V CB -1.512 30.381 31.823 0.117 0.000 0.645 202 V HN 0.584 8.774 8.190 -0.000 0.000 0.447 203 G N -0.350 108.525 108.800 0.125 0.000 2.440 203 G HA2 -0.217 3.739 3.960 -0.006 0.000 0.218 203 G HA3 -0.217 3.739 3.960 -0.006 0.000 0.218 203 G C 1.580 176.574 174.900 0.158 0.000 1.154 203 G CA 0.968 46.158 45.100 0.149 0.000 0.767 203 G HN 0.457 8.747 8.290 -0.000 0.000 0.552 204 L N 0.640 121.931 121.223 0.113 0.000 2.217 204 L HA -0.012 4.325 4.340 -0.006 0.000 0.211 204 L C 3.121 180.053 176.870 0.103 0.000 1.107 204 L CA 0.739 55.636 54.840 0.094 0.000 0.783 204 L CB -0.227 41.864 42.059 0.053 0.000 0.919 204 L HN 0.187 8.417 8.230 -0.000 0.000 0.442 205 S N 0.282 116.055 115.700 0.122 0.000 2.368 205 S HA -0.158 4.308 4.470 -0.006 0.000 0.225 205 S C 2.217 176.957 174.600 0.234 0.000 1.030 205 S CA 1.260 59.565 58.200 0.174 0.000 0.999 205 S CB -0.203 63.114 63.200 0.194 0.000 0.844 205 S HN 0.502 8.812 8.310 -0.000 0.000 0.459 206 A N 1.291 124.230 122.820 0.200 0.000 1.933 206 A HA -0.005 4.311 4.320 -0.006 0.000 0.218 206 A C 2.143 179.784 177.584 0.095 0.000 1.175 206 A CA 1.287 53.421 52.037 0.162 0.000 0.628 206 A CB -0.692 18.476 19.000 0.279 0.000 0.814 206 A HN 0.466 8.616 8.150 -0.000 0.000 0.444 207 L N -0.384 120.962 121.223 0.206 0.000 2.017 207 L HA -0.128 4.208 4.340 -0.006 0.000 0.208 207 L C 2.330 179.264 176.870 0.107 0.000 1.073 207 L CA 1.488 56.446 54.840 0.198 0.000 0.745 207 L CB -0.245 41.934 42.059 0.199 0.000 0.894 207 L HN 0.404 8.634 8.230 -0.000 0.000 0.432 208 L N -0.251 121.052 121.223 0.133 0.000 2.079 208 L HA -0.208 4.129 4.340 -0.006 0.000 0.210 208 L C 2.761 179.775 176.870 0.239 0.000 1.081 208 L CA 1.174 56.117 54.840 0.172 0.000 0.752 208 L CB -0.888 41.247 42.059 0.128 0.000 0.896 208 L HN 0.412 8.642 8.230 -0.000 0.000 0.433 209 A N -0.214 122.732 122.820 0.210 0.000 1.968 209 A HA -0.023 4.293 4.320 -0.006 0.000 0.217 209 A C 2.479 180.011 177.584 -0.087 0.000 1.169 209 A CA 1.331 53.408 52.037 0.066 0.000 0.638 209 A CB -0.463 18.555 19.000 0.030 0.000 0.812 209 A HN 0.381 8.531 8.150 -0.000 0.000 0.446 210 A N 0.149 122.843 122.820 -0.209 0.000 2.014 210 A HA -0.074 4.242 4.320 -0.006 0.000 0.218 210 A C 2.016 179.531 177.584 -0.115 0.000 1.163 210 A CA 1.527 53.375 52.037 -0.315 0.000 0.652 210 A CB -0.311 18.353 19.000 -0.560 0.000 0.808 210 A HN 0.569 8.719 8.150 -0.000 0.000 0.449 211 K N -0.349 120.033 120.400 -0.029 0.000 2.025 211 K HA -0.047 4.269 4.320 -0.006 0.000 0.207 211 K C 1.755 178.362 176.600 0.010 0.000 1.049 211 K CA 1.394 57.691 56.287 0.018 0.000 0.933 211 K CB -0.408 32.123 32.500 0.052 0.000 0.714 211 K HN 0.256 8.506 8.250 -0.000 0.000 0.438 212 V N 1.482 121.406 119.914 0.017 0.000 2.407 212 V HA -0.267 3.849 4.120 -0.006 0.000 0.248 212 V C 2.218 178.294 176.094 -0.031 0.000 1.055 212 V CA 1.507 63.811 62.300 0.005 0.000 1.049 212 V CB -0.594 31.230 31.823 0.002 0.000 0.662 212 V HN 0.439 8.629 8.190 -0.000 0.000 0.455 213 C N 0.523 119.782 119.300 -0.069 0.000 2.491 213 C HA 0.394 4.851 4.460 -0.006 0.000 0.277 213 C C 2.024 176.976 174.990 -0.063 0.000 1.455 213 C CA 0.356 59.320 59.018 -0.089 0.000 1.758 213 C CB -1.179 26.464 27.740 -0.161 0.000 1.745 213 C HN 0.862 9.092 8.230 -0.000 0.000 0.558 214 G N -0.015 108.763 108.800 -0.037 0.000 2.179 214 G HA2 0.023 3.979 3.960 -0.006 0.000 0.220 214 G HA3 0.023 3.979 3.960 -0.006 0.000 0.220 214 G C 0.179 175.083 174.900 0.008 0.000 0.990 214 G CA 0.095 45.189 45.100 -0.010 0.000 0.646 214 G HN 0.941 9.231 8.290 -0.000 0.000 0.517 215 A N 0.224 123.044 122.820 0.001 0.000 2.520 215 A HA 0.662 4.979 4.320 -0.006 0.000 0.235 215 A C 1.497 179.123 177.584 0.070 0.000 1.065 215 A CA 1.425 53.491 52.037 0.049 0.000 0.764 215 A CB 0.462 19.502 19.000 0.066 0.000 1.002 215 A HN 0.894 9.044 8.150 -0.000 0.000 0.502 216 S N 0.577 116.329 115.700 0.088 0.000 2.470 216 S HA 0.225 4.691 4.470 -0.006 0.000 0.222 216 S C 0.480 175.143 174.600 0.106 0.000 1.024 216 S CA 0.433 58.683 58.200 0.083 0.000 0.931 216 S CB -0.100 63.145 63.200 0.075 0.000 0.791 216 S HN 0.596 8.906 8.310 -0.000 0.000 0.513 217 I N 2.029 122.676 120.570 0.129 0.000 2.410 217 I HA 0.433 4.599 4.170 -0.006 0.000 0.286 217 I C -1.256 174.968 176.117 0.179 0.000 1.009 217 I CA -0.286 61.104 61.300 0.150 0.000 1.111 217 I CB 1.691 39.752 38.000 0.101 0.000 1.262 217 I HN 0.021 8.231 8.210 -0.000 0.000 0.443 218 I N 7.732 128.419 120.570 0.195 0.000 2.476 218 I HA 0.447 4.613 4.170 -0.006 0.000 0.281 218 I C -0.534 175.678 176.117 0.158 0.000 1.040 218 I CA -0.311 61.120 61.300 0.217 0.000 1.094 218 I CB 1.500 39.622 38.000 0.203 0.000 1.219 218 I HN 0.368 8.578 8.210 -0.000 0.000 0.450 219 I N 5.023 125.635 120.570 0.071 0.000 2.493 219 I HA 0.759 4.925 4.170 -0.006 0.000 0.298 219 I C 0.045 176.096 176.117 -0.110 0.000 0.998 219 I CA -0.634 60.648 61.300 -0.030 0.000 1.137 219 I CB 2.122 40.039 38.000 -0.138 0.000 1.310 219 I HN 0.582 8.792 8.210 -0.000 0.000 0.445 220 A N 5.523 128.282 122.820 -0.102 0.000 2.374 220 A HA 0.782 5.099 4.320 -0.006 0.000 0.305 220 A C -1.120 176.363 177.584 -0.168 0.000 1.053 220 A CA -0.491 51.471 52.037 -0.125 0.000 0.726 220 A CB 1.538 20.517 19.000 -0.034 0.000 1.229 220 A HN 0.403 8.553 8.150 -0.000 0.000 0.431 221 V N 2.916 122.688 119.914 -0.237 0.000 2.448 221 V HA 0.628 4.744 4.120 -0.006 0.000 0.295 221 V C -0.417 175.638 176.094 -0.065 0.000 1.025 221 V CA -0.401 61.769 62.300 -0.216 0.000 0.859 221 V CB 1.470 33.008 31.823 -0.475 0.000 0.988 221 V HN 1.014 9.204 8.190 -0.000 0.000 0.431 222 D N 2.175 122.565 120.400 -0.016 0.000 2.759 222 D HA 0.448 5.084 4.640 -0.006 0.000 0.321 222 D C 0.153 176.471 176.300 0.030 0.000 1.267 222 D CA -0.376 53.639 54.000 0.025 0.000 0.933 222 D CB 2.530 43.340 40.800 0.017 0.000 1.431 222 D HN 0.455 8.825 8.370 -0.000 0.000 0.504 223 I N -1.360 119.230 120.570 0.033 0.000 4.227 223 I HA 0.314 4.480 4.170 -0.006 0.000 0.334 223 I C -0.194 175.936 176.117 0.022 0.000 1.341 223 I CA -0.183 61.135 61.300 0.030 0.000 1.123 223 I CB 0.871 38.891 38.000 0.034 0.000 1.097 223 I HN -0.120 8.090 8.210 -0.000 0.000 0.399 224 V N 2.330 122.255 119.914 0.018 0.000 2.370 224 V HA 0.235 4.351 4.120 -0.006 0.000 0.283 224 V C 1.177 177.278 176.094 0.011 0.000 1.023 224 V CA -0.184 62.125 62.300 0.015 0.000 0.857 224 V CB 1.483 33.315 31.823 0.016 0.000 0.985 224 V HN 0.115 8.305 8.190 -0.000 0.000 0.443 225 E N 3.269 123.475 120.200 0.010 0.000 2.110 225 E HA -0.156 4.191 4.350 -0.006 0.000 0.193 225 E C 2.238 178.841 176.600 0.004 0.000 0.988 225 E CA 1.861 58.265 56.400 0.006 0.000 0.804 225 E CB -0.042 29.662 29.700 0.006 0.000 0.745 225 E HN 0.878 9.238 8.360 -0.000 0.000 0.458 226 S N -0.217 115.486 115.700 0.006 0.000 2.423 226 S HA -0.108 4.358 4.470 -0.006 0.000 0.231 226 S C 1.910 176.512 174.600 0.003 0.000 1.014 226 S CA 0.704 58.906 58.200 0.004 0.000 0.965 226 S CB -0.233 62.971 63.200 0.005 0.000 0.785 226 S HN 0.200 8.510 8.310 -0.000 0.000 0.495 227 R N 0.707 121.210 120.500 0.006 0.000 2.115 227 R HA 0.241 4.577 4.340 -0.006 0.000 0.226 227 R C 2.127 178.429 176.300 0.005 0.000 1.100 227 R CA 1.014 57.118 56.100 0.007 0.000 0.980 227 R CB -0.499 29.808 30.300 0.011 0.000 0.875 227 R HN 0.413 8.683 8.270 -0.000 0.000 0.445 228 L N 0.767 121.991 121.223 0.002 0.000 2.217 228 L HA -0.088 4.249 4.340 -0.006 0.000 0.211 228 L C 2.090 178.958 176.870 -0.004 0.000 1.107 228 L CA 0.952 55.791 54.840 -0.002 0.000 0.783 228 L CB -0.237 41.818 42.059 -0.005 0.000 0.919 228 L HN 0.168 8.398 8.230 -0.000 0.000 0.442 229 E N 0.095 120.293 120.200 -0.003 0.000 2.152 229 E HA -0.190 4.156 4.350 -0.006 0.000 0.192 229 E C 2.123 178.719 176.600 -0.007 0.000 0.983 229 E CA 0.857 57.254 56.400 -0.006 0.000 0.818 229 E CB -0.083 29.613 29.700 -0.006 0.000 0.758 229 E HN 0.308 8.668 8.360 -0.000 0.000 0.467 230 L N 1.348 122.569 121.223 -0.005 0.000 2.072 230 L HA -0.005 4.332 4.340 -0.006 0.000 0.205 230 L C 2.291 179.160 176.870 -0.002 0.000 1.079 230 L CA 1.756 56.592 54.840 -0.006 0.000 0.752 230 L CB -0.644 41.411 42.059 -0.007 0.000 0.906 230 L HN 0.007 8.237 8.230 -0.000 0.000 0.436 231 A N -0.459 122.363 122.820 0.004 0.000 1.883 231 A HA -0.243 4.073 4.320 -0.006 0.000 0.217 231 A C 2.380 179.970 177.584 0.010 0.000 1.186 231 A CA 1.924 53.968 52.037 0.012 0.000 0.624 231 A CB -0.686 18.324 19.000 0.016 0.000 0.822 231 A HN 0.368 8.518 8.150 -0.000 0.000 0.444 232 K N -0.190 120.210 120.400 0.000 0.000 2.063 232 K HA -0.183 4.133 4.320 -0.006 0.000 0.208 232 K C 2.157 178.751 176.600 -0.010 0.000 1.048 232 K CA 2.010 58.292 56.287 -0.009 0.000 0.928 232 K CB -0.416 32.074 32.500 -0.017 0.000 0.713 232 K HN 0.747 8.997 8.250 -0.000 0.000 0.442 233 Q N -0.069 119.725 119.800 -0.009 0.000 2.224 233 Q HA -0.032 4.304 4.340 -0.006 0.000 0.203 233 Q C 1.990 177.985 176.000 -0.008 0.000 0.970 233 Q CA 0.797 56.593 55.803 -0.011 0.000 0.865 233 Q CB 0.026 28.756 28.738 -0.014 0.000 0.922 233 Q HN 0.253 8.523 8.270 -0.000 0.000 0.445 234 L N -1.023 120.198 121.223 -0.003 0.000 2.554 234 L HA 0.130 4.466 4.340 -0.006 0.000 0.226 234 L C 0.990 177.868 176.870 0.014 0.000 1.137 234 L CA 0.513 55.354 54.840 0.002 0.000 0.863 234 L CB 0.146 42.206 42.059 0.002 0.000 0.985 234 L HN 0.401 8.631 8.230 -0.000 0.000 0.451 235 G N -0.103 108.706 108.800 0.014 0.000 2.155 235 G HA2 -0.099 3.857 3.960 -0.006 0.000 0.135 235 G HA3 -0.099 3.857 3.960 -0.006 0.000 0.135 235 G C 0.172 175.092 174.900 0.033 0.000 1.023 235 G CA -0.301 44.811 45.100 0.019 0.000 0.688 235 G HN 0.367 8.657 8.290 -0.000 0.000 0.499 236 A N 0.470 123.308 122.820 0.030 0.000 2.450 236 A HA 0.677 4.993 4.320 -0.006 0.000 0.255 236 A C 1.703 179.294 177.584 0.012 0.000 1.096 236 A CA 1.258 53.322 52.037 0.046 0.000 0.778 236 A CB 0.333 19.356 19.000 0.039 0.000 1.031 236 A HN 1.462 9.612 8.150 -0.000 0.000 0.494 237 T N 0.158 114.736 114.554 0.039 0.000 2.942 237 T HA 0.057 4.404 4.350 -0.006 0.000 0.265 237 T C 0.454 174.978 174.700 -0.293 0.000 1.062 237 T CA 1.464 63.528 62.100 -0.060 0.000 1.139 237 T CB -0.361 68.545 68.868 0.064 0.000 0.883 237 T HN 0.739 8.979 8.240 -0.000 0.000 0.468 238 H N 0.075 119.140 119.070 -0.008 0.000 2.865 238 H HA 0.651 5.204 4.556 -0.005 0.000 0.362 238 H C -0.871 174.431 175.328 -0.043 0.000 1.114 238 H CA -0.992 55.041 56.048 -0.025 0.000 1.208 238 H CB 2.210 31.950 29.762 -0.036 0.000 1.727 238 H HN 0.269 8.549 8.280 -0.000 0.000 0.534 239 V N 0.733 120.681 119.914 0.056 0.000 2.769 239 V HA 0.735 4.851 4.120 -0.006 0.000 0.312 239 V C -0.426 175.665 176.094 -0.005 0.000 1.061 239 V CA -0.754 61.549 62.300 0.005 0.000 0.931 239 V CB 1.961 33.779 31.823 -0.009 0.000 1.010 239 V HN 0.699 8.889 8.190 -0.000 0.000 0.433 240 I N 2.836 123.380 120.570 -0.042 0.000 2.607 240 I HA 0.416 4.583 4.170 -0.006 0.000 0.290 240 I C -0.811 175.282 176.117 -0.039 0.000 1.129 240 I CA -0.437 60.834 61.300 -0.047 0.000 1.042 240 I CB 2.249 40.191 38.000 -0.096 0.000 1.242 240 I HN 0.746 8.956 8.210 -0.000 0.000 0.421 241 N N 3.670 122.362 118.700 -0.014 0.000 2.437 241 N HA 0.079 4.815 4.740 -0.006 0.000 0.243 241 N C 0.761 176.280 175.510 0.016 0.000 1.041 241 N CA 0.005 53.056 53.050 0.002 0.000 0.940 241 N CB 1.281 39.772 38.487 0.007 0.000 1.133 241 N HN 0.662 9.042 8.380 -0.000 0.000 0.506 242 S N 2.560 118.280 115.700 0.034 0.000 2.720 242 S HA 0.014 4.480 4.470 -0.006 0.000 0.222 242 S C 1.294 175.930 174.600 0.061 0.000 0.958 242 S CA 0.389 58.629 58.200 0.067 0.000 0.943 242 S CB 0.064 63.343 63.200 0.132 0.000 0.779 242 S HN 0.621 8.931 8.310 -0.000 0.000 0.526 243 K N 0.495 120.921 120.400 0.042 0.000 2.244 243 K HA 0.147 4.463 4.320 -0.006 0.000 0.200 243 K C 1.303 177.921 176.600 0.029 0.000 1.052 243 K CA 0.964 57.272 56.287 0.036 0.000 0.980 243 K CB 0.113 32.631 32.500 0.030 0.000 0.838 243 K HN 0.368 8.618 8.250 -0.000 0.000 0.481 244 T N 0.640 115.209 114.554 0.025 0.000 3.022 244 T HA 0.146 4.492 4.350 -0.006 0.000 0.250 244 T C -0.239 174.474 174.700 0.021 0.000 1.060 244 T CA 0.116 62.229 62.100 0.021 0.000 1.013 244 T CB 0.351 69.229 68.868 0.016 0.000 0.982 244 T HN 0.192 8.432 8.240 -0.000 0.000 0.508 245 Q N 0.953 120.768 119.800 0.025 0.000 2.389 245 Q HA 0.386 4.723 4.340 -0.006 0.000 0.277 245 Q C -1.633 174.388 176.000 0.035 0.000 1.082 245 Q CA -0.989 54.829 55.803 0.024 0.000 0.810 245 Q CB 1.779 30.527 28.738 0.015 0.000 1.374 245 Q HN -0.061 8.209 8.270 -0.000 0.000 0.422 246 D N 3.033 123.454 120.400 0.036 0.000 2.338 246 D HA 0.069 4.705 4.640 -0.006 0.000 0.255 246 D C -1.464 174.871 176.300 0.058 0.000 1.237 246 D CA -1.927 52.104 54.000 0.052 0.000 0.883 246 D CB 1.125 41.951 40.800 0.043 0.000 1.087 246 D HN 0.250 8.620 8.370 -0.000 0.000 0.485 247 P HA -0.142 4.278 4.420 -0.000 0.000 0.217 247 P C 1.574 178.942 177.300 0.113 0.000 1.151 247 P CA 0.396 63.544 63.100 0.080 0.000 0.828 247 P CB 0.385 32.181 31.700 0.160 0.000 0.788 248 V N 1.256 121.278 119.914 0.180 0.000 2.287 248 V HA -0.249 3.868 4.120 -0.006 0.000 0.248 248 V C 2.920 179.058 176.094 0.073 0.000 1.053 248 V CA 2.418 64.811 62.300 0.155 0.000 1.027 248 V CB -1.796 30.106 31.823 0.131 0.000 0.646 248 V HN 0.126 8.316 8.190 -0.000 0.000 0.447 249 A N -0.167 122.684 122.820 0.051 0.000 1.898 249 A HA -0.047 4.269 4.320 -0.006 0.000 0.216 249 A C 2.417 180.005 177.584 0.006 0.000 1.181 249 A CA 2.036 54.088 52.037 0.025 0.000 0.620 249 A CB -0.778 18.235 19.000 0.023 0.000 0.819 249 A HN 0.565 8.715 8.150 -0.000 0.000 0.442 250 A N 0.197 123.018 122.820 0.001 0.000 1.858 250 A HA -0.089 4.227 4.320 -0.006 0.000 0.216 250 A C 2.110 179.659 177.584 -0.059 0.000 1.190 250 A CA 1.538 53.559 52.037 -0.027 0.000 0.617 250 A CB -0.720 18.263 19.000 -0.029 0.000 0.827 250 A HN 0.480 8.630 8.150 -0.000 0.000 0.443 251 I N -0.543 119.988 120.570 -0.064 0.000 2.194 251 I HA -0.325 3.842 4.170 -0.006 0.000 0.246 251 I C 2.532 178.614 176.117 -0.057 0.000 1.093 251 I CA 1.918 63.166 61.300 -0.087 0.000 1.355 251 I CB -0.312 37.649 38.000 -0.065 0.000 1.046 251 I HN 0.292 8.502 8.210 -0.000 0.000 0.413 252 K N 0.624 121.013 120.400 -0.019 0.000 2.097 252 K HA -0.203 4.113 4.320 -0.006 0.000 0.206 252 K C 2.076 178.659 176.600 -0.027 0.000 1.049 252 K CA 1.673 57.952 56.287 -0.014 0.000 0.933 252 K CB -0.113 32.390 32.500 0.004 0.000 0.717 252 K HN 0.517 8.767 8.250 -0.000 0.000 0.442 253 E N 0.861 121.042 120.200 -0.031 0.000 2.107 253 E HA -0.181 4.165 4.350 -0.006 0.000 0.191 253 E C 1.980 178.547 176.600 -0.056 0.000 0.982 253 E CA 1.053 57.434 56.400 -0.032 0.000 0.809 253 E CB -0.352 29.336 29.700 -0.020 0.000 0.756 253 E HN 0.281 8.641 8.360 -0.000 0.000 0.459 254 I N 2.200 122.707 120.570 -0.105 0.000 2.286 254 I HA -0.185 3.981 4.170 -0.006 0.000 0.248 254 I C 2.314 178.344 176.117 -0.145 0.000 1.115 254 I CA 1.837 63.023 61.300 -0.191 0.000 1.392 254 I CB -0.276 37.494 38.000 -0.383 0.000 1.065 254 I HN 0.283 8.493 8.210 -0.000 0.000 0.418 255 T N -3.491 111.003 114.554 -0.100 0.000 3.145 255 T HA 0.109 4.456 4.350 -0.006 0.000 0.255 255 T C 0.490 175.173 174.700 -0.028 0.000 1.039 255 T CA -0.076 61.990 62.100 -0.057 0.000 0.928 255 T CB -0.160 68.682 68.868 -0.043 0.000 1.029 255 T HN 0.291 8.531 8.240 -0.000 0.000 0.554 256 D N 0.763 121.146 120.400 -0.028 0.000 2.737 256 D HA -0.093 4.543 4.640 -0.006 0.000 0.238 256 D C 1.100 177.393 176.300 -0.010 0.000 1.157 256 D CA 1.609 55.601 54.000 -0.014 0.000 0.694 256 D CB -1.455 39.341 40.800 -0.006 0.000 1.021 256 D HN 0.881 9.251 8.370 -0.000 0.000 0.420 257 G N -1.086 107.707 108.800 -0.011 0.000 2.421 257 G HA2 0.409 4.366 3.960 -0.006 0.000 0.188 257 G HA3 0.409 4.366 3.960 -0.006 0.000 0.188 257 G C 0.844 175.741 174.900 -0.006 0.000 1.001 257 G CA 0.535 45.631 45.100 -0.007 0.000 0.693 257 G HN 1.707 9.997 8.290 -0.000 0.000 0.479 258 G N -1.753 107.041 108.800 -0.009 0.000 2.312 258 G HA2 0.485 4.441 3.960 -0.006 0.000 0.347 258 G HA3 0.485 4.441 3.960 -0.006 0.000 0.347 258 G C -0.816 174.078 174.900 -0.009 0.000 1.564 258 G CA 0.320 45.419 45.100 -0.002 0.000 0.981 258 G HN 1.490 9.780 8.290 -0.000 0.000 0.678 259 V N 0.955 120.869 119.914 -0.001 0.000 2.732 259 V HA 0.330 4.447 4.120 -0.006 0.000 0.297 259 V C 1.411 177.491 176.094 -0.023 0.000 1.060 259 V CA 0.365 62.667 62.300 0.003 0.000 1.038 259 V CB 1.104 32.930 31.823 0.004 0.000 1.003 259 V HN 0.839 9.029 8.190 -0.000 0.000 0.481 260 N N 3.462 122.144 118.700 -0.030 0.000 2.216 260 N HA 0.092 4.828 4.740 -0.006 0.000 0.183 260 N C -0.763 174.446 175.510 -0.501 0.000 1.017 260 N CA 1.060 53.958 53.050 -0.253 0.000 0.861 260 N CB 0.076 38.431 38.487 -0.219 0.000 0.986 260 N HN 0.562 8.942 8.380 -0.000 0.000 0.428 261 F N -0.383 119.646 119.950 0.132 0.000 2.556 261 F HA 0.711 5.234 4.527 -0.006 0.000 0.314 261 F C -0.387 175.504 175.800 0.151 0.000 1.106 261 F CA -1.151 56.966 58.000 0.196 0.000 0.911 261 F CB 1.986 41.180 39.000 0.323 0.000 1.190 261 F HN -0.207 8.093 8.300 -0.000 0.000 0.448 262 A N 2.310 125.312 122.820 0.303 0.000 2.556 262 A HA 0.891 5.207 4.320 -0.006 0.000 0.294 262 A C -2.356 175.355 177.584 0.211 0.000 1.091 262 A CA -0.724 51.388 52.037 0.125 0.000 0.704 262 A CB 1.955 21.060 19.000 0.175 0.000 1.300 262 A HN 0.756 8.906 8.150 -0.000 0.000 0.406 263 L N 0.381 121.699 121.223 0.160 0.000 2.381 263 L HA 0.639 4.975 4.340 -0.006 0.000 0.274 263 L C -0.669 176.358 176.870 0.262 0.000 0.988 263 L CA -0.100 54.879 54.840 0.232 0.000 0.824 263 L CB 1.820 44.059 42.059 0.299 0.000 1.263 263 L HN 0.687 8.917 8.230 -0.000 0.000 0.410 264 E N 2.148 122.452 120.200 0.173 0.000 2.055 264 E HA 0.289 4.635 4.350 -0.006 0.000 0.274 264 E C -0.144 176.529 176.600 0.123 0.000 0.949 264 E CA 0.148 56.620 56.400 0.120 0.000 0.775 264 E CB 1.334 31.029 29.700 -0.008 0.000 1.097 264 E HN 0.647 9.007 8.360 -0.000 0.000 0.404 265 S N 0.978 116.766 115.700 0.146 0.000 2.629 265 S HA -0.013 4.454 4.470 -0.006 0.000 0.236 265 S C 1.252 175.902 174.600 0.084 0.000 1.010 265 S CA 0.328 58.597 58.200 0.115 0.000 0.981 265 S CB 0.054 63.327 63.200 0.121 0.000 0.919 265 S HN 0.393 8.703 8.310 -0.000 0.000 0.514 266 T N -2.160 112.442 114.554 0.079 0.000 3.014 266 T HA 0.398 4.744 4.350 -0.006 0.000 0.263 266 T C 1.886 176.607 174.700 0.034 0.000 1.078 266 T CA 1.044 63.173 62.100 0.048 0.000 1.135 266 T CB -0.678 68.226 68.868 0.061 0.000 0.895 266 T HN 1.278 9.518 8.240 -0.000 0.000 0.480 267 G N 0.997 109.821 108.800 0.039 0.000 2.179 267 G HA2 -0.258 3.698 3.960 -0.006 0.000 0.260 267 G HA3 -0.258 3.698 3.960 -0.006 0.000 0.260 267 G C 0.224 175.138 174.900 0.024 0.000 0.977 267 G CA 0.171 45.296 45.100 0.041 0.000 0.641 267 G HN 0.770 9.060 8.290 -0.000 0.000 0.533 268 S N 1.683 117.389 115.700 0.011 0.000 2.439 268 S HA 0.456 4.922 4.470 -0.006 0.000 0.282 268 S C -0.791 173.793 174.600 -0.028 0.000 1.170 268 S CA -0.625 57.574 58.200 -0.001 0.000 1.054 268 S CB 1.876 65.079 63.200 0.003 0.000 0.956 268 S HN 0.119 8.429 8.310 -0.000 0.000 0.490 269 P HA -0.198 4.222 4.420 -0.000 0.000 0.216 269 P C 1.639 178.907 177.300 -0.053 0.000 1.153 269 P CA 1.003 64.085 63.100 -0.030 0.000 0.858 269 P CB 0.164 31.858 31.700 -0.010 0.000 0.789 270 E N -0.922 119.249 120.200 -0.048 0.000 2.285 270 E HA -0.083 4.263 4.350 -0.006 0.000 0.194 270 E C 1.817 178.351 176.600 -0.109 0.000 0.997 270 E CA 0.893 57.258 56.400 -0.058 0.000 0.845 270 E CB -1.117 28.564 29.700 -0.031 0.000 0.782 270 E HN 0.198 8.558 8.360 -0.000 0.000 0.491 271 I N 1.337 121.827 120.570 -0.134 0.000 2.500 271 I HA -0.050 4.117 4.170 -0.006 0.000 0.252 271 I C 2.426 178.271 176.117 -0.454 0.000 1.142 271 I CA 0.429 61.581 61.300 -0.248 0.000 1.451 271 I CB -0.627 37.300 38.000 -0.123 0.000 1.093 271 I HN 0.160 8.370 8.210 -0.000 0.000 0.430 272 L N 0.705 121.756 121.223 -0.287 0.000 2.093 272 L HA -0.218 4.119 4.340 -0.006 0.000 0.208 272 L C 2.574 179.287 176.870 -0.261 0.000 1.085 272 L CA 1.478 56.145 54.840 -0.288 0.000 0.755 272 L CB -0.306 41.664 42.059 -0.148 0.000 0.904 272 L HN 0.133 8.363 8.230 -0.000 0.000 0.435 273 K N -0.354 119.942 120.400 -0.174 0.000 2.057 273 K HA -0.249 4.067 4.320 -0.006 0.000 0.207 273 K C 2.044 178.542 176.600 -0.170 0.000 1.049 273 K CA 1.736 57.959 56.287 -0.108 0.000 0.931 273 K CB -0.130 32.342 32.500 -0.048 0.000 0.714 273 K HN 0.461 8.711 8.250 -0.000 0.000 0.440 274 Q N -0.427 119.211 119.800 -0.270 0.000 2.077 274 Q HA -0.168 4.168 4.340 -0.006 0.000 0.206 274 Q C 2.112 177.871 176.000 -0.402 0.000 0.989 274 Q CA 1.770 57.389 55.803 -0.306 0.000 0.853 274 Q CB -0.342 28.159 28.738 -0.395 0.000 0.907 274 Q HN 0.581 8.851 8.270 -0.000 0.000 0.418 275 G N -0.253 108.063 108.800 -0.807 0.000 2.418 275 G HA2 -0.224 3.732 3.960 -0.006 0.000 0.217 275 G HA3 -0.224 3.732 3.960 -0.006 0.000 0.217 275 G C 1.450 176.248 174.900 -0.169 0.000 1.158 275 G CA 1.043 45.746 45.100 -0.661 0.000 0.771 275 G HN 0.242 8.532 8.290 -0.000 0.000 0.545 276 V N 1.392 121.215 119.914 -0.152 0.000 2.358 276 V HA -0.116 4.001 4.120 -0.006 0.000 0.246 276 V C 2.506 178.594 176.094 -0.010 0.000 1.047 276 V CA 1.994 64.259 62.300 -0.058 0.000 1.035 276 V CB -0.436 31.362 31.823 -0.041 0.000 0.658 276 V HN 0.246 8.436 8.190 -0.000 0.000 0.452 277 D N 0.974 121.369 120.400 -0.009 0.000 2.182 277 D HA -0.120 4.517 4.640 -0.006 0.000 0.201 277 D C 2.005 178.334 176.300 0.047 0.000 0.986 277 D CA 1.660 55.672 54.000 0.021 0.000 0.847 277 D CB -0.241 40.568 40.800 0.015 0.000 0.942 277 D HN 0.484 8.854 8.370 -0.000 0.000 0.467 278 A N 0.122 122.996 122.820 0.090 0.000 2.238 278 A HA 0.117 4.433 4.320 -0.006 0.000 0.208 278 A C 1.075 178.713 177.584 0.089 0.000 1.177 278 A CA -0.112 52.002 52.037 0.129 0.000 0.804 278 A CB -0.288 18.880 19.000 0.280 0.000 0.823 278 A HN 0.137 8.287 8.150 -0.000 0.000 0.482 279 L N -0.085 121.175 121.223 0.061 0.000 2.461 279 L HA 0.339 4.675 4.340 -0.006 0.000 0.272 279 L C 1.239 178.110 176.870 0.002 0.000 1.197 279 L CA -0.242 54.611 54.840 0.022 0.000 0.836 279 L CB 0.526 42.586 42.059 0.001 0.000 1.105 279 L HN 0.332 8.562 8.230 -0.000 0.000 0.477 280 G N 1.920 110.707 108.800 -0.021 0.000 2.537 280 G HA2 0.493 4.449 3.960 -0.006 0.000 0.297 280 G HA3 0.493 4.449 3.960 -0.006 0.000 0.297 280 G C -0.206 174.671 174.900 -0.038 0.000 1.310 280 G CA -0.964 44.121 45.100 -0.025 0.000 1.027 280 G HN 0.488 8.778 8.290 -0.000 0.000 0.505 281 I N 0.371 120.922 120.570 -0.032 0.000 2.826 281 I HA -0.082 4.084 4.170 -0.006 0.000 0.295 281 I C 0.800 176.882 176.117 -0.057 0.000 1.213 281 I CA 0.769 62.049 61.300 -0.034 0.000 1.436 281 I CB 0.235 38.220 38.000 -0.025 0.000 1.348 281 I HN 0.488 8.698 8.210 -0.000 0.000 0.570 282 L N 4.579 125.768 121.223 -0.057 0.000 4.429 282 L HA -0.214 4.122 4.340 -0.006 0.000 0.422 282 L C 0.982 177.773 176.870 -0.131 0.000 1.149 282 L CA 0.464 55.258 54.840 -0.078 0.000 0.972 282 L CB -2.104 39.913 42.059 -0.068 0.000 2.059 282 L HN 0.900 9.130 8.230 -0.000 0.000 0.870 283 G N 0.614 109.337 108.800 -0.127 0.000 2.606 283 G HA2 0.484 4.440 3.960 -0.006 0.000 0.252 283 G HA3 0.484 4.440 3.960 -0.006 0.000 0.252 283 G C -0.144 174.673 174.900 -0.138 0.000 1.206 283 G CA -0.295 44.700 45.100 -0.175 0.000 0.861 283 G HN 0.194 8.484 8.290 -0.000 0.000 0.561 284 K N -0.015 120.300 120.400 -0.141 0.000 2.443 284 K HA 0.481 4.797 4.320 -0.006 0.000 0.252 284 K C -1.291 175.341 176.600 0.052 0.000 0.933 284 K CA -0.621 55.645 56.287 -0.035 0.000 0.792 284 K CB 2.944 35.453 32.500 0.015 0.000 1.185 284 K HN 0.395 8.645 8.250 -0.000 0.000 0.425 285 I N 1.741 122.334 120.570 0.038 0.000 2.418 285 I HA 0.423 4.589 4.170 -0.006 0.000 0.287 285 I C -1.059 175.095 176.117 0.062 0.000 1.008 285 I CA -0.560 60.780 61.300 0.067 0.000 1.104 285 I CB 1.340 39.350 38.000 0.016 0.000 1.264 285 I HN 0.806 9.016 8.210 -0.000 0.000 0.438 286 A N 7.053 129.940 122.820 0.112 0.000 2.301 286 A HA 0.622 4.938 4.320 -0.006 0.000 0.298 286 A C -0.778 176.852 177.584 0.077 0.000 1.185 286 A CA -0.418 51.675 52.037 0.094 0.000 0.830 286 A CB 0.990 20.069 19.000 0.131 0.000 1.112 286 A HN 0.501 8.651 8.150 -0.000 0.000 0.508 287 V N 4.461 124.403 119.914 0.046 0.000 2.318 287 V HA 0.263 4.380 4.120 -0.006 0.000 0.271 287 V C 0.995 177.127 176.094 0.062 0.000 1.030 287 V CA 0.257 62.581 62.300 0.040 0.000 0.844 287 V CB 0.848 32.675 31.823 0.007 0.000 1.015 287 V HN 0.971 9.161 8.190 -0.000 0.000 0.460 288 V N 2.051 122.014 119.914 0.082 0.000 3.570 288 V HA 0.513 4.629 4.120 -0.006 0.000 0.257 288 V C 1.010 177.163 176.094 0.100 0.000 1.272 288 V CA 0.640 62.996 62.300 0.093 0.000 1.079 288 V CB -0.002 31.886 31.823 0.108 0.000 0.829 288 V HN 0.681 8.871 8.190 -0.000 0.000 0.454 289 G N 0.458 109.312 108.800 0.091 0.000 2.420 289 G HA2 0.655 4.611 3.960 -0.006 0.000 0.284 289 G HA3 0.655 4.611 3.960 -0.006 0.000 0.284 289 G C -0.423 174.528 174.900 0.085 0.000 1.177 289 G CA 0.155 45.311 45.100 0.092 0.000 0.841 289 G HN 0.992 9.282 8.290 -0.000 0.000 0.527 290 A N 2.940 125.818 122.820 0.097 0.000 2.355 290 A HA 0.891 5.207 4.320 -0.006 0.000 0.317 290 A C -2.072 175.554 177.584 0.070 0.000 1.094 290 A CA -1.222 50.868 52.037 0.088 0.000 0.764 290 A CB 1.771 20.839 19.000 0.113 0.000 1.230 290 A HN 0.622 8.772 8.150 -0.000 0.000 0.448 291 P HA 0.343 4.763 4.420 -0.000 0.000 0.306 291 P C -0.594 176.735 177.300 0.048 0.000 1.309 291 P CA -0.624 62.505 63.100 0.048 0.000 0.759 291 P CB 0.370 32.094 31.700 0.039 0.000 1.314 292 Q N -0.430 119.395 119.800 0.041 0.000 2.386 292 Q HA 0.098 4.435 4.340 -0.006 0.000 0.282 292 Q C 0.130 176.177 176.000 0.079 0.000 1.050 292 Q CA -0.043 55.790 55.803 0.050 0.000 0.918 292 Q CB -0.025 28.737 28.738 0.040 0.000 1.266 292 Q HN 0.298 8.568 8.270 -0.000 0.000 0.423 293 L N 1.282 122.578 121.223 0.121 0.000 2.593 293 L HA -0.183 4.153 4.340 -0.006 0.000 0.287 293 L C 1.434 178.336 176.870 0.053 0.000 1.243 293 L CA 1.268 56.173 54.840 0.108 0.000 0.890 293 L CB -0.250 41.873 42.059 0.107 0.000 1.134 293 L HN 1.132 9.362 8.230 -0.000 0.000 0.502 294 G N 1.978 110.797 108.800 0.032 0.000 2.234 294 G HA2 -0.287 3.669 3.960 -0.006 0.000 0.260 294 G HA3 -0.287 3.669 3.960 -0.006 0.000 0.260 294 G C 0.458 175.370 174.900 0.020 0.000 0.987 294 G CA 0.383 45.493 45.100 0.017 0.000 0.625 294 G HN 0.584 8.874 8.290 -0.000 0.000 0.532 295 T N 1.937 116.507 114.554 0.027 0.000 2.926 295 T HA 0.499 4.845 4.350 -0.006 0.000 0.307 295 T C 0.858 175.570 174.700 0.021 0.000 1.059 295 T CA 0.893 63.007 62.100 0.023 0.000 1.122 295 T CB 1.330 70.214 68.868 0.026 0.000 0.972 295 T HN 1.004 9.244 8.240 -0.000 0.000 0.545 296 T N -0.937 113.628 114.554 0.017 0.000 2.949 296 T HA 0.830 5.176 4.350 -0.006 0.000 0.287 296 T C -0.540 174.173 174.700 0.021 0.000 1.034 296 T CA -0.973 61.139 62.100 0.021 0.000 1.018 296 T CB 1.820 70.701 68.868 0.020 0.000 1.135 296 T HN 0.775 9.015 8.240 -0.000 0.000 0.532 297 A N 0.588 123.428 122.820 0.033 0.000 2.479 297 A HA 0.753 5.069 4.320 -0.006 0.000 0.296 297 A C -0.776 176.852 177.584 0.073 0.000 1.121 297 A CA -0.997 51.060 52.037 0.034 0.000 0.743 297 A CB 1.571 20.582 19.000 0.018 0.000 1.323 297 A HN 0.853 9.003 8.150 -0.000 0.000 0.415 298 Q N -0.334 119.505 119.800 0.065 0.000 2.257 298 Q HA 0.699 5.036 4.340 -0.006 0.000 0.262 298 Q C -1.458 174.641 176.000 0.165 0.000 0.997 298 Q CA -0.467 55.376 55.803 0.066 0.000 0.873 298 Q CB 2.168 30.901 28.738 -0.009 0.000 1.312 298 Q HN 0.694 8.964 8.270 -0.000 0.000 0.450 299 F N -1.707 118.217 119.950 -0.043 0.000 2.613 299 F HA 0.416 4.939 4.527 -0.006 0.000 0.310 299 F C -0.853 174.926 175.800 -0.036 0.000 1.085 299 F CA -1.457 56.515 58.000 -0.046 0.000 0.945 299 F CB 1.012 39.983 39.000 -0.048 0.000 1.298 299 F HN 0.304 8.604 8.300 -0.000 0.000 0.455 300 D N 2.166 122.535 120.400 -0.051 0.000 2.371 300 D HA 0.143 4.780 4.640 -0.006 0.000 0.256 300 D C 0.979 177.208 176.300 -0.118 0.000 1.193 300 D CA 0.179 54.110 54.000 -0.114 0.000 0.881 300 D CB 1.884 42.671 40.800 -0.023 0.000 1.143 300 D HN 0.457 8.827 8.370 -0.000 0.000 0.473 301 V N 5.104 124.875 119.914 -0.238 0.000 2.216 301 V HA -0.258 3.858 4.120 -0.006 0.000 0.243 301 V C 2.350 178.450 176.094 0.010 0.000 1.044 301 V CA 1.300 63.515 62.300 -0.140 0.000 0.995 301 V CB -0.630 31.083 31.823 -0.184 0.000 0.633 301 V HN 0.659 8.849 8.190 -0.000 0.000 0.446 302 N N 0.220 118.909 118.700 -0.018 0.000 2.096 302 N HA -0.277 4.460 4.740 -0.006 0.000 0.195 302 N C 1.683 177.206 175.510 0.022 0.000 1.017 302 N CA 2.347 55.398 53.050 0.001 0.000 0.870 302 N CB -0.444 38.035 38.487 -0.014 0.000 1.024 302 N HN 0.742 9.122 8.380 -0.000 0.000 0.434 303 D N 0.333 120.750 120.400 0.029 0.000 2.144 303 D HA -0.083 4.553 4.640 -0.006 0.000 0.200 303 D C 2.185 178.520 176.300 0.058 0.000 0.978 303 D CA 0.399 54.421 54.000 0.037 0.000 0.833 303 D CB -0.022 40.800 40.800 0.036 0.000 0.961 303 D HN 0.206 8.576 8.370 -0.000 0.000 0.470 304 L N -0.016 121.272 121.223 0.108 0.000 2.156 304 L HA 0.011 4.347 4.340 -0.006 0.000 0.208 304 L C 1.949 178.862 176.870 0.072 0.000 1.095 304 L CA 0.889 55.796 54.840 0.113 0.000 0.770 304 L CB -0.289 41.920 42.059 0.250 0.000 0.914 304 L HN 0.262 8.492 8.230 -0.000 0.000 0.439 305 L N -1.415 119.851 121.223 0.072 0.000 2.102 305 L HA -0.030 4.306 4.340 -0.006 0.000 0.202 305 L C 2.050 178.934 176.870 0.023 0.000 1.076 305 L CA 1.620 56.487 54.840 0.045 0.000 0.761 305 L CB -1.335 40.752 42.059 0.046 0.000 0.921 305 L HN 0.085 8.315 8.230 -0.000 0.000 0.444 306 L N 0.818 122.053 121.223 0.020 0.000 2.141 306 L HA 0.040 4.377 4.340 -0.006 0.000 0.209 306 L C 2.452 179.325 176.870 0.006 0.000 1.094 306 L CA 1.732 56.578 54.840 0.010 0.000 0.763 306 L CB -2.060 40.003 42.059 0.008 0.000 0.908 306 L HN 0.568 8.798 8.230 -0.000 0.000 0.437 307 G N -1.446 107.359 108.800 0.008 0.000 2.813 307 G HA2 0.140 4.096 3.960 -0.006 0.000 0.209 307 G HA3 0.140 4.096 3.960 -0.006 0.000 0.209 307 G C 1.200 176.093 174.900 -0.011 0.000 1.150 307 G CA 0.488 45.587 45.100 -0.002 0.000 0.785 307 G HN 0.516 8.806 8.290 -0.000 0.000 0.535 308 G N 0.225 109.021 108.800 -0.007 0.000 2.249 308 G HA2 -0.302 3.655 3.960 -0.006 0.000 0.273 308 G HA3 -0.302 3.655 3.960 -0.006 0.000 0.273 308 G C 0.360 175.243 174.900 -0.028 0.000 1.036 308 G CA 0.430 45.521 45.100 -0.015 0.000 0.824 308 G HN 0.581 8.870 8.290 -0.000 0.000 0.504 309 K N 0.308 120.692 120.400 -0.026 0.000 2.355 309 K HA 0.413 4.729 4.320 -0.006 0.000 0.270 309 K C 0.293 176.855 176.600 -0.064 0.000 1.003 309 K CA 0.430 56.690 56.287 -0.045 0.000 0.957 309 K CB 0.551 33.031 32.500 -0.033 0.000 0.939 309 K HN 0.170 8.420 8.250 -0.000 0.000 0.482 310 T N 2.858 117.369 114.554 -0.073 0.000 2.807 310 T HA 0.451 4.798 4.350 -0.006 0.000 0.279 310 T C -0.042 174.599 174.700 -0.098 0.000 0.993 310 T CA -0.628 61.423 62.100 -0.081 0.000 0.970 310 T CB 0.728 69.564 68.868 -0.053 0.000 0.950 310 T HN 0.338 8.578 8.240 -0.000 0.000 0.441 311 I N 4.727 125.212 120.570 -0.141 0.000 2.382 311 I HA 0.499 4.665 4.170 -0.006 0.000 0.286 311 I C -0.576 175.473 176.117 -0.113 0.000 1.002 311 I CA -0.931 60.275 61.300 -0.156 0.000 1.135 311 I CB 1.184 39.016 38.000 -0.280 0.000 1.288 311 I HN 0.475 8.685 8.210 -0.000 0.000 0.448 312 L N 3.886 125.070 121.223 -0.066 0.000 2.408 312 L HA 0.912 5.248 4.340 -0.006 0.000 0.268 312 L C -0.112 176.740 176.870 -0.029 0.000 0.986 312 L CA -0.738 54.070 54.840 -0.053 0.000 0.820 312 L CB 1.842 43.878 42.059 -0.038 0.000 1.303 312 L HN 0.520 8.750 8.230 -0.000 0.000 0.411 313 G N 2.074 110.849 108.800 -0.042 0.000 2.370 313 G HA2 0.537 4.494 3.960 -0.006 0.000 0.272 313 G HA3 0.537 4.494 3.960 -0.006 0.000 0.272 313 G C -0.735 174.183 174.900 0.031 0.000 1.208 313 G CA -0.369 44.725 45.100 -0.010 0.000 0.856 313 G HN 0.489 8.779 8.290 -0.000 0.000 0.500 314 V N 2.812 122.771 119.914 0.076 0.000 2.577 314 V HA 0.370 4.486 4.120 -0.006 0.000 0.303 314 V C -0.308 175.841 176.094 0.090 0.000 1.042 314 V CA -0.670 61.708 62.300 0.129 0.000 0.872 314 V CB 2.022 33.900 31.823 0.091 0.000 0.998 314 V HN 0.577 8.767 8.190 -0.000 0.000 0.423 315 V N 4.183 124.125 119.914 0.047 0.000 2.398 315 V HA 0.483 4.599 4.120 -0.006 0.000 0.286 315 V C 0.527 176.450 176.094 -0.285 0.000 1.026 315 V CA -0.545 61.619 62.300 -0.227 0.000 0.868 315 V CB 1.310 32.763 31.823 -0.617 0.000 0.982 315 V HN 0.992 9.182 8.190 -0.000 0.000 0.443 316 E N 3.587 123.686 120.200 -0.167 0.000 2.403 316 E HA -0.303 4.043 4.350 -0.006 0.000 0.241 316 E C 1.294 177.887 176.600 -0.012 0.000 1.201 316 E CA 1.001 57.352 56.400 -0.082 0.000 0.721 316 E CB -1.343 28.197 29.700 -0.267 0.000 1.245 316 E HN 1.610 9.970 8.360 -0.000 0.000 0.392 317 G N -0.445 108.351 108.800 -0.007 0.000 2.162 317 G HA2 -0.439 3.517 3.960 -0.006 0.000 0.260 317 G HA3 -0.439 3.517 3.960 -0.006 0.000 0.260 317 G C 0.538 175.391 174.900 -0.079 0.000 0.976 317 G CA 0.846 45.936 45.100 -0.016 0.000 0.655 317 G HN 0.844 9.134 8.290 -0.000 0.000 0.533 318 S N -1.833 113.833 115.700 -0.056 0.000 3.402 318 S HA -0.169 4.297 4.470 -0.006 0.000 0.329 318 S C 1.743 176.291 174.600 -0.088 0.000 1.194 318 S CA 1.881 60.072 58.200 -0.016 0.000 0.951 318 S CB -1.444 61.801 63.200 0.074 0.000 0.975 318 S HN 2.134 10.444 8.310 -0.000 0.000 0.574 319 G N 0.573 109.288 108.800 -0.141 0.000 2.849 319 G HA2 0.626 4.582 3.960 -0.006 0.000 0.174 319 G HA3 0.626 4.582 3.960 -0.006 0.000 0.174 319 G C -0.405 174.454 174.900 -0.068 0.000 1.370 319 G CA 0.188 45.182 45.100 -0.176 0.000 1.040 319 G HN 0.752 9.042 8.290 -0.000 0.000 0.582 320 S N 0.061 115.733 115.700 -0.047 0.000 2.566 320 S HA 0.507 4.973 4.470 -0.006 0.000 0.324 320 S C -1.689 172.921 174.600 0.018 0.000 1.081 320 S CA -1.298 56.874 58.200 -0.046 0.000 1.105 320 S CB 2.022 65.201 63.200 -0.036 0.000 0.981 320 S HN 0.134 8.444 8.310 -0.000 0.000 0.464 321 P HA -0.082 4.338 4.420 -0.000 0.000 0.216 321 P C 1.259 178.577 177.300 0.031 0.000 1.150 321 P CA 0.994 64.110 63.100 0.027 0.000 0.837 321 P CB 0.164 31.812 31.700 -0.088 0.000 0.786 322 K N -0.221 120.190 120.400 0.018 0.000 2.209 322 K HA -0.147 4.169 4.320 -0.006 0.000 0.204 322 K C 1.986 178.607 176.600 0.035 0.000 1.048 322 K CA 1.096 57.401 56.287 0.030 0.000 0.940 322 K CB -0.131 32.398 32.500 0.048 0.000 0.729 322 K HN 0.221 8.471 8.250 -0.000 0.000 0.451 323 K N -0.477 119.955 120.400 0.053 0.000 2.121 323 K HA -0.022 4.294 4.320 -0.006 0.000 0.203 323 K C 2.012 178.678 176.600 0.110 0.000 1.041 323 K CA 0.247 56.574 56.287 0.067 0.000 0.969 323 K CB -0.084 32.456 32.500 0.067 0.000 0.799 323 K HN -0.105 8.145 8.250 -0.000 0.000 0.456 324 F N 2.251 122.174 119.950 -0.045 0.000 2.146 324 F HA -0.056 4.468 4.527 -0.006 0.000 0.298 324 F C 1.860 177.617 175.800 -0.072 0.000 1.096 324 F CA 0.937 58.901 58.000 -0.061 0.000 1.275 324 F CB -0.188 38.778 39.000 -0.057 0.000 1.008 324 F HN -0.015 8.285 8.300 -0.000 0.000 0.480 325 I N 0.599 121.124 120.570 -0.075 0.000 2.127 325 I HA -0.264 3.903 4.170 -0.006 0.000 0.241 325 I C -0.526 175.483 176.117 -0.180 0.000 1.075 325 I CA 1.517 62.714 61.300 -0.172 0.000 1.334 325 I CB -1.642 36.310 38.000 -0.080 0.000 1.040 325 I HN 0.067 8.277 8.210 -0.000 0.000 0.405 326 P HA -0.170 4.250 4.420 -0.000 0.000 0.218 326 P C 1.209 178.446 177.300 -0.104 0.000 1.148 326 P CA 1.433 64.491 63.100 -0.070 0.000 0.822 326 P CB -0.042 31.641 31.700 -0.028 0.000 0.784 327 E N -0.555 119.552 120.200 -0.156 0.000 2.072 327 E HA -0.117 4.229 4.350 -0.006 0.000 0.191 327 E C 2.005 178.432 176.600 -0.289 0.000 0.985 327 E CA 0.856 57.148 56.400 -0.179 0.000 0.801 327 E CB -0.603 29.017 29.700 -0.133 0.000 0.750 327 E HN 0.231 8.591 8.360 -0.000 0.000 0.452 328 L N 0.446 121.372 121.223 -0.494 0.000 2.046 328 L HA -0.174 4.162 4.340 -0.006 0.000 0.208 328 L C 2.456 179.253 176.870 -0.122 0.000 1.077 328 L CA 0.704 55.242 54.840 -0.503 0.000 0.747 328 L CB -0.489 41.165 42.059 -0.675 0.000 0.896 328 L HN 0.061 8.291 8.230 -0.000 0.000 0.432 329 V N 0.063 119.942 119.914 -0.058 0.000 2.392 329 V HA -0.294 3.822 4.120 -0.006 0.000 0.249 329 V C 2.708 178.906 176.094 0.173 0.000 1.059 329 V CA 1.939 64.310 62.300 0.119 0.000 1.051 329 V CB -0.764 31.102 31.823 0.070 0.000 0.658 329 V HN 0.493 8.683 8.190 -0.000 0.000 0.455 330 R N -0.073 120.462 120.500 0.059 0.000 2.092 330 R HA -0.081 4.255 4.340 -0.006 0.000 0.231 330 R C 2.275 178.613 176.300 0.064 0.000 1.119 330 R CA 1.431 57.561 56.100 0.050 0.000 0.970 330 R CB -0.249 30.053 30.300 0.003 0.000 0.864 330 R HN 0.451 8.721 8.270 -0.000 0.000 0.440 331 L N 0.116 121.368 121.223 0.049 0.000 2.083 331 L HA -0.192 4.144 4.340 -0.006 0.000 0.209 331 L C 2.472 179.471 176.870 0.216 0.000 1.083 331 L CA 1.292 56.178 54.840 0.076 0.000 0.752 331 L CB -0.584 41.446 42.059 -0.048 0.000 0.899 331 L HN 0.266 8.496 8.230 -0.000 0.000 0.433 332 Y N 1.006 121.442 120.300 0.228 0.000 2.133 332 Y HA -0.284 4.264 4.550 -0.004 0.000 0.287 332 Y C 2.617 178.602 175.900 0.140 0.000 1.134 332 Y CA 1.616 59.883 58.100 0.279 0.000 1.133 332 Y CB -0.343 38.368 38.460 0.418 0.000 0.987 332 Y HN 0.149 8.429 8.280 -0.000 0.000 0.502 333 Q N -0.062 119.741 119.800 0.004 0.000 2.234 333 Q HA -0.228 4.109 4.340 -0.006 0.000 0.206 333 Q C 2.008 177.925 176.000 -0.137 0.000 0.980 333 Q CA 1.719 57.436 55.803 -0.143 0.000 0.869 333 Q CB -0.168 28.572 28.738 0.003 0.000 0.912 333 Q HN 0.674 8.944 8.270 -0.000 0.000 0.436 334 Q N -0.966 118.796 119.800 -0.063 0.000 2.435 334 Q HA 0.022 4.358 4.340 -0.006 0.000 0.207 334 Q C 0.903 176.865 176.000 -0.063 0.000 0.956 334 Q CA 0.603 56.379 55.803 -0.045 0.000 0.917 334 Q CB 0.503 29.236 28.738 -0.007 0.000 0.997 334 Q HN 0.555 8.825 8.270 -0.000 0.000 0.497 335 G N 1.500 110.237 108.800 -0.104 0.000 2.141 335 G HA2 -0.280 3.676 3.960 -0.006 0.000 0.242 335 G HA3 -0.280 3.676 3.960 -0.006 0.000 0.242 335 G C 0.602 175.500 174.900 -0.003 0.000 0.982 335 G CA 0.382 45.428 45.100 -0.090 0.000 0.662 335 G HN 0.301 8.591 8.290 -0.000 0.000 0.527 336 K N -1.023 119.413 120.400 0.059 0.000 2.358 336 K HA 0.420 4.736 4.320 -0.006 0.000 0.197 336 K C -0.073 176.680 176.600 0.254 0.000 1.025 336 K CA -0.008 56.348 56.287 0.115 0.000 1.104 336 K CB 0.609 33.160 32.500 0.085 0.000 0.855 336 K HN 0.415 8.665 8.250 -0.000 0.000 0.531 337 F N 2.420 122.430 119.950 0.100 0.000 3.167 337 F HA 0.215 4.738 4.527 -0.006 0.000 0.389 337 F C -2.812 173.175 175.800 0.312 0.000 1.233 337 F CA -2.158 55.946 58.000 0.173 0.000 1.238 337 F CB 1.488 40.581 39.000 0.155 0.000 1.971 337 F HN -0.180 8.120 8.300 -0.000 0.000 0.651 338 P HA 0.100 4.520 4.420 -0.000 0.000 0.220 338 P C 0.845 178.026 177.300 -0.199 0.000 1.806 338 P CA -0.174 62.920 63.100 -0.010 0.000 0.976 338 P CB -0.876 30.811 31.700 -0.022 0.000 1.952 339 F N 1.316 121.017 119.950 -0.416 0.000 2.365 339 F HA -0.106 4.418 4.527 -0.005 0.000 0.300 339 F C 1.487 177.139 175.800 -0.246 0.000 1.090 339 F CA 0.781 58.518 58.000 -0.438 0.000 1.408 339 F CB -1.316 37.362 39.000 -0.535 0.000 1.060 339 F HN 0.012 8.312 8.300 -0.000 0.000 0.534 340 D N 0.582 120.287 120.400 -1.158 0.000 2.311 340 D HA -0.245 4.391 4.640 -0.006 0.000 0.212 340 D C 1.337 177.428 176.300 -0.347 0.000 0.972 340 D CA 1.136 54.677 54.000 -0.764 0.000 0.887 340 D CB -0.889 39.600 40.800 -0.519 0.000 0.915 340 D HN 0.568 8.938 8.370 -0.000 0.000 0.497 341 Q N -0.227 119.428 119.800 -0.240 0.000 2.472 341 Q HA 0.096 4.433 4.340 -0.006 0.000 0.208 341 Q C 1.919 177.849 176.000 -0.116 0.000 0.958 341 Q CA 0.296 56.013 55.803 -0.143 0.000 0.932 341 Q CB 0.185 28.864 28.738 -0.098 0.000 1.007 341 Q HN 0.465 8.735 8.270 -0.000 0.000 0.508 342 L N -0.083 121.069 121.223 -0.119 0.000 2.592 342 L HA 0.149 4.485 4.340 -0.006 0.000 0.227 342 L C 0.480 177.296 176.870 -0.090 0.000 1.127 342 L CA -0.076 54.722 54.840 -0.070 0.000 0.884 342 L CB 0.417 42.462 42.059 -0.024 0.000 1.065 342 L HN -0.108 8.122 8.230 -0.000 0.000 0.457 343 V N 0.911 120.728 119.914 -0.161 0.000 2.539 343 V HA 0.296 4.412 4.120 -0.006 0.000 0.292 343 V C -0.038 175.897 176.094 -0.265 0.000 1.045 343 V CA -0.513 61.645 62.300 -0.236 0.000 0.945 343 V CB 1.882 33.481 31.823 -0.374 0.000 0.993 343 V HN 0.141 8.331 8.190 -0.000 0.000 0.464 344 K N 3.836 124.090 120.400 -0.243 0.000 2.507 344 K HA 0.505 4.822 4.320 -0.006 0.000 0.251 344 K C -1.651 174.823 176.600 -0.209 0.000 0.943 344 K CA -0.583 55.571 56.287 -0.221 0.000 0.794 344 K CB 1.369 33.799 32.500 -0.117 0.000 1.188 344 K HN 0.403 8.653 8.250 -0.000 0.000 0.428 345 F N 3.352 123.247 119.950 -0.093 0.000 2.396 345 F HA 0.338 4.860 4.527 -0.007 0.000 0.343 345 F C -0.204 175.498 175.800 -0.164 0.000 1.104 345 F CA 0.119 58.094 58.000 -0.043 0.000 1.161 345 F CB 0.544 39.512 39.000 -0.054 0.000 1.146 345 F HN 0.382 8.682 8.300 -0.000 0.000 0.522 346 Y N 0.718 121.117 120.300 0.165 0.000 2.562 346 Y HA 0.666 5.213 4.550 -0.006 0.000 0.343 346 Y C 0.214 176.159 175.900 0.075 0.000 1.025 346 Y CA -1.605 56.545 58.100 0.084 0.000 1.082 346 Y CB 1.319 39.799 38.460 0.033 0.000 1.264 346 Y HN 0.682 8.962 8.280 -0.000 0.000 0.478 347 A N 1.500 124.440 122.820 0.200 0.000 2.332 347 A HA 0.201 4.517 4.320 -0.006 0.000 0.258 347 A C 0.790 178.497 177.584 0.204 0.000 1.087 347 A CA -0.248 51.881 52.037 0.154 0.000 0.802 347 A CB -0.029 19.035 19.000 0.106 0.000 1.042 347 A HN 0.836 8.986 8.150 -0.000 0.000 0.489 348 F N 1.392 121.340 119.950 -0.002 0.000 2.154 348 F HA -0.189 4.335 4.527 -0.006 0.000 0.301 348 F C 1.790 177.558 175.800 -0.054 0.000 1.087 348 F CA 2.409 60.383 58.000 -0.045 0.000 1.274 348 F CB -0.397 38.584 39.000 -0.030 0.000 1.009 348 F HN 0.734 9.034 8.300 -0.000 0.000 0.485 349 D N -0.824 119.614 120.400 0.063 0.000 2.352 349 D HA -0.115 4.521 4.640 -0.006 0.000 0.232 349 D C 0.811 177.108 176.300 -0.004 0.000 1.055 349 D CA 0.565 54.536 54.000 -0.048 0.000 0.891 349 D CB -0.941 39.839 40.800 -0.034 0.000 0.897 349 D HN 0.459 8.829 8.370 -0.000 0.000 0.529 350 E N -0.264 119.964 120.200 0.047 0.000 2.558 350 E HA 0.218 4.564 4.350 -0.006 0.000 0.205 350 E C 1.534 178.122 176.600 -0.019 0.000 1.006 350 E CA -0.321 56.116 56.400 0.062 0.000 0.961 350 E CB 0.445 30.250 29.700 0.174 0.000 1.044 350 E HN 0.248 8.608 8.360 -0.000 0.000 0.465 351 I N 1.492 122.007 120.570 -0.092 0.000 2.208 351 I HA -0.320 3.847 4.170 -0.006 0.000 0.245 351 I C 1.616 177.604 176.117 -0.215 0.000 1.097 351 I CA 1.232 62.374 61.300 -0.263 0.000 1.363 351 I CB 0.121 37.877 38.000 -0.407 0.000 1.051 351 I HN 0.184 8.394 8.210 -0.000 0.000 0.413 352 N N 0.553 119.227 118.700 -0.043 0.000 2.205 352 N HA -0.274 4.462 4.740 -0.006 0.000 0.186 352 N C 1.780 177.285 175.510 -0.009 0.000 1.015 352 N CA 1.317 54.399 53.050 0.053 0.000 0.862 352 N CB -0.233 38.294 38.487 0.066 0.000 0.986 352 N HN 0.505 8.885 8.380 -0.000 0.000 0.429 353 Q N 0.768 120.541 119.800 -0.044 0.000 2.245 353 Q HA 0.142 4.478 4.340 -0.006 0.000 0.201 353 Q C 1.815 177.705 176.000 -0.184 0.000 0.955 353 Q CA 1.084 56.867 55.803 -0.034 0.000 0.870 353 Q CB -0.121 28.655 28.738 0.063 0.000 0.945 353 Q HN 0.303 8.573 8.270 -0.000 0.000 0.461 354 A N 0.289 122.843 122.820 -0.442 0.000 1.930 354 A HA -0.017 4.299 4.320 -0.006 0.000 0.217 354 A C 2.265 179.649 177.584 -0.332 0.000 1.175 354 A CA 1.552 53.105 52.037 -0.806 0.000 0.627 354 A CB -1.089 17.319 19.000 -0.987 0.000 0.815 354 A HN 0.501 8.651 8.150 -0.000 0.000 0.443 355 A N 0.261 122.985 122.820 -0.160 0.000 1.865 355 A HA -0.132 4.184 4.320 -0.006 0.000 0.217 355 A C 2.120 179.705 177.584 0.002 0.000 1.191 355 A CA 1.612 53.639 52.037 -0.017 0.000 0.623 355 A CB -0.699 18.358 19.000 0.095 0.000 0.826 355 A HN 0.497 8.647 8.150 -0.000 0.000 0.444 356 I N 0.106 120.675 120.570 -0.001 0.000 2.118 356 I HA -0.299 3.867 4.170 -0.006 0.000 0.241 356 I C 1.931 178.064 176.117 0.027 0.000 1.070 356 I CA 1.780 63.093 61.300 0.020 0.000 1.327 356 I CB -0.624 37.390 38.000 0.023 0.000 1.034 356 I HN 0.278 8.488 8.210 -0.000 0.000 0.405 357 D N 0.576 120.988 120.400 0.020 0.000 2.149 357 D HA -0.149 4.487 4.640 -0.006 0.000 0.198 357 D C 2.383 178.712 176.300 0.048 0.000 0.990 357 D CA 1.820 55.853 54.000 0.056 0.000 0.839 357 D CB -0.311 40.565 40.800 0.127 0.000 0.948 357 D HN 0.414 8.784 8.370 -0.000 0.000 0.460 358 S N 0.558 116.274 115.700 0.028 0.000 2.371 358 S HA -0.162 4.304 4.470 -0.006 0.000 0.224 358 S C 1.977 176.612 174.600 0.058 0.000 1.029 358 S CA 0.845 59.072 58.200 0.046 0.000 0.978 358 S CB -0.311 62.919 63.200 0.049 0.000 0.833 358 S HN 0.201 8.511 8.310 -0.000 0.000 0.466 359 R N 1.928 122.470 120.500 0.069 0.000 2.096 359 R HA -0.007 4.330 4.340 -0.006 0.000 0.235 359 R C 1.788 178.119 176.300 0.051 0.000 1.127 359 R CA 1.459 57.604 56.100 0.075 0.000 0.968 359 R CB -0.202 30.149 30.300 0.084 0.000 0.861 359 R HN 0.405 8.675 8.270 -0.000 0.000 0.440 360 K N -0.998 119.428 120.400 0.044 0.000 2.459 360 K HA 0.126 4.442 4.320 -0.006 0.000 0.193 360 K C 0.812 177.432 176.600 0.033 0.000 1.030 360 K CA 0.559 56.868 56.287 0.037 0.000 1.026 360 K CB 0.558 33.080 32.500 0.036 0.000 0.809 360 K HN 0.503 8.753 8.250 -0.000 0.000 0.504 361 G N 1.968 110.788 108.800 0.034 0.000 2.157 361 G HA2 -0.273 3.683 3.960 -0.006 0.000 0.248 361 G HA3 -0.273 3.683 3.960 -0.006 0.000 0.248 361 G C 0.827 175.745 174.900 0.031 0.000 0.979 361 G CA 0.526 45.643 45.100 0.028 0.000 0.650 361 G HN 0.353 8.643 8.290 -0.000 0.000 0.529 362 I N -1.978 118.616 120.570 0.040 0.000 2.716 362 I HA 0.357 4.524 4.170 -0.006 0.000 0.259 362 I C 0.898 177.044 176.117 0.047 0.000 1.172 362 I CA 1.042 62.366 61.300 0.040 0.000 1.478 362 I CB -0.137 37.889 38.000 0.043 0.000 1.104 362 I HN 0.010 8.220 8.210 -0.000 0.000 0.439 363 T N 2.440 117.032 114.554 0.065 0.000 2.770 363 T HA 0.419 4.766 4.350 -0.006 0.000 0.283 363 T C 0.914 175.644 174.700 0.050 0.000 0.988 363 T CA -0.510 61.636 62.100 0.077 0.000 0.957 363 T CB 1.983 70.944 68.868 0.156 0.000 0.930 363 T HN 0.015 8.255 8.240 -0.000 0.000 0.443 364 L N 1.874 123.116 121.223 0.031 0.000 2.007 364 L HA 0.190 4.526 4.340 -0.006 0.000 0.205 364 L C 1.082 177.967 176.870 0.025 0.000 1.073 364 L CA 1.482 56.335 54.840 0.022 0.000 0.744 364 L CB -0.427 41.637 42.059 0.009 0.000 0.898 364 L HN 0.475 8.705 8.230 -0.000 0.000 0.435 365 K N 0.594 121.002 120.400 0.013 0.000 2.664 365 K HA 0.364 4.680 4.320 -0.006 0.000 0.234 365 K C -2.688 173.911 176.600 -0.002 0.000 0.980 365 K CA -2.187 54.104 56.287 0.006 0.000 0.996 365 K CB 1.464 33.963 32.500 -0.001 0.000 1.190 365 K HN -0.179 8.071 8.250 -0.000 0.000 0.479 366 P HA 0.284 4.704 4.420 -0.000 0.000 0.274 366 P C -0.622 176.689 177.300 0.019 0.000 1.231 366 P CA -0.217 62.922 63.100 0.065 0.000 0.790 366 P CB 0.699 32.349 31.700 -0.084 0.000 0.951 367 I N 2.744 123.349 120.570 0.060 0.000 2.503 367 I HA 0.260 4.426 4.170 -0.006 0.000 0.282 367 I C -0.281 175.949 176.117 0.188 0.000 1.059 367 I CA -0.870 60.473 61.300 0.071 0.000 1.081 367 I CB 1.256 39.254 38.000 -0.004 0.000 1.210 367 I HN 0.123 8.333 8.210 -0.000 0.000 0.450 368 I N 6.457 127.085 120.570 0.098 0.000 2.421 368 I HA 0.079 4.245 4.170 -0.006 0.000 0.291 368 I C 0.619 176.752 176.117 0.027 0.000 1.089 368 I CA 0.172 61.501 61.300 0.048 0.000 1.354 368 I CB -0.158 37.782 38.000 -0.100 0.000 1.413 368 I HN 0.349 8.559 8.210 -0.000 0.000 0.513 369 K N 6.430 126.872 120.400 0.070 0.000 2.349 369 K HA 0.306 4.622 4.320 -0.006 0.000 0.288 369 K C 0.568 177.090 176.600 -0.130 0.000 1.058 369 K CA 0.070 56.346 56.287 -0.018 0.000 0.953 369 K CB 1.178 33.659 32.500 -0.032 0.000 0.997 369 K HN 0.606 8.856 8.250 -0.000 0.000 0.477 370 I N 1.620 122.055 120.570 -0.226 0.000 3.366 370 I HA 0.036 4.203 4.170 -0.006 0.000 0.267 370 I C 0.991 176.992 176.117 -0.192 0.000 1.149 370 I CA 0.083 61.160 61.300 -0.371 0.000 1.436 370 I CB 0.184 37.863 38.000 -0.535 0.000 1.379 370 I HN 0.584 8.794 8.210 -0.000 0.000 0.460 371 A N 0.000 122.721 122.820 -0.164 0.000 2.254 371 A HA 0.000 4.316 4.320 -0.006 0.000 0.244 371 A CA 0.000 51.967 52.037 -0.117 0.000 0.836 371 A CB 0.000 18.919 19.000 -0.134 0.000 0.831 371 A HN 0.000 8.150 8.150 -0.000 0.000 0.486