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 1vma_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGLFDFLKKG LQKTKETFFG RVVKLLKGKK LDDETREELE ELLIQADVGV DATA SEQUENCE ETTEYILERL EEKDGDALES LKEIILEILN FDTKLNVPPE PPFVIMVVGV DATA SEQUENCE NGTGKTTSCG KLAKMFVDEG KSVVLAAADT FRAAAIEQLK IWGERVGATV DATA SEQUENCE ISHSEGADPA AVAFDAVAHA LARNKDVVII DTAGRLHTKK NLMEELRKVH DATA SEQUENCE RVVKKKIPDA PHETLLVIDA TTGQNGLVQA KIFKEAVNVT GIILTKLDGT DATA SEQUENCE AKGGITLAIA RELGIPIKFI GVGEKAEDLR PFDPEAFVEV LLSE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 0.000 0.000 0.227 1 M C 0.000 176.345 176.300 0.075 0.000 1.140 1 M CA 0.000 55.355 55.300 0.091 0.000 0.988 1 M CB 0.000 32.688 32.600 0.146 0.000 1.302 2 G N 0.150 108.997 108.800 0.079 0.000 2.616 2 G HA2 0.475 4.441 3.960 0.010 0.000 0.268 2 G HA3 0.475 4.441 3.960 0.010 0.000 0.268 2 G C 0.585 175.517 174.900 0.053 0.000 1.213 2 G CA 0.103 45.238 45.100 0.057 0.000 0.926 2 G HN 1.011 9.301 8.290 0.000 0.000 0.523 3 L N -0.577 120.620 121.223 -0.044 0.000 2.021 3 L HA -0.134 4.212 4.340 0.010 0.000 0.215 3 L C 2.393 179.175 176.870 -0.146 0.000 1.074 3 L CA 2.143 56.879 54.840 -0.174 0.000 0.760 3 L CB -0.421 41.419 42.059 -0.366 0.000 0.889 3 L HN 0.487 8.717 8.230 0.000 0.000 0.433 4 F N -0.318 119.675 119.950 0.072 0.000 2.234 4 F HA -0.070 4.453 4.527 -0.006 0.000 0.296 4 F C 2.193 178.037 175.800 0.074 0.000 1.089 4 F CA 1.162 59.198 58.000 0.060 0.000 1.343 4 F CB -0.679 38.334 39.000 0.022 0.000 1.040 4 F HN 0.120 8.420 8.300 0.000 0.000 0.498 5 D N -0.156 120.390 120.400 0.242 0.000 2.123 5 D HA -0.229 4.416 4.640 0.010 0.000 0.196 5 D C 2.017 178.415 176.300 0.165 0.000 0.992 5 D CA 1.190 55.290 54.000 0.167 0.000 0.833 5 D CB -0.559 40.326 40.800 0.142 0.000 0.954 5 D HN 0.237 8.607 8.370 0.000 0.000 0.455 6 F N 0.733 120.703 119.950 0.033 0.000 2.102 6 F HA -0.104 4.434 4.527 0.018 0.000 0.298 6 F C 1.964 177.783 175.800 0.031 0.000 1.105 6 F CA 1.185 59.201 58.000 0.026 0.000 1.239 6 F CB -0.189 38.817 39.000 0.010 0.000 0.991 6 F HN -0.086 8.214 8.300 0.000 0.000 0.474 7 L N 0.156 121.453 121.223 0.122 0.000 2.141 7 L HA -0.174 4.172 4.340 0.010 0.000 0.209 7 L C 2.403 179.241 176.870 -0.053 0.000 1.094 7 L CA 1.271 56.113 54.840 0.004 0.000 0.763 7 L CB -0.597 41.503 42.059 0.069 0.000 0.908 7 L HN 0.067 8.297 8.230 0.000 0.000 0.437 8 K N 0.020 120.425 120.400 0.009 0.000 2.097 8 K HA -0.225 4.101 4.320 0.010 0.000 0.206 8 K C 2.155 178.729 176.600 -0.044 0.000 1.049 8 K CA 1.248 57.530 56.287 -0.009 0.000 0.933 8 K CB -0.056 32.464 32.500 0.032 0.000 0.717 8 K HN 0.170 8.420 8.250 0.000 0.000 0.442 9 K N 0.472 120.833 120.400 -0.065 0.000 2.025 9 K HA -0.120 4.206 4.320 0.010 0.000 0.207 9 K C 2.221 178.745 176.600 -0.127 0.000 1.049 9 K CA 1.492 57.727 56.287 -0.087 0.000 0.933 9 K CB -0.303 32.140 32.500 -0.095 0.000 0.714 9 K HN 0.217 8.467 8.250 0.000 0.000 0.438 10 G N 1.248 109.916 108.800 -0.220 0.000 2.513 10 G HA2 -0.245 3.721 3.960 0.010 0.000 0.219 10 G HA3 -0.245 3.721 3.960 0.010 0.000 0.219 10 G C 1.298 176.145 174.900 -0.089 0.000 1.160 10 G CA 0.948 45.932 45.100 -0.192 0.000 0.767 10 G HN 0.298 8.588 8.290 0.000 0.000 0.571 11 L N 0.133 121.299 121.223 -0.095 0.000 2.693 11 L HA 0.179 4.525 4.340 0.010 0.000 0.235 11 L C 2.507 179.350 176.870 -0.044 0.000 1.127 11 L CA -0.121 54.665 54.840 -0.090 0.000 0.914 11 L CB 0.154 42.093 42.059 -0.199 0.000 1.193 11 L HN 0.243 8.473 8.230 0.000 0.000 0.502 12 Q N 1.454 121.233 119.800 -0.035 0.000 2.045 12 Q HA -0.261 4.085 4.340 0.010 0.000 0.206 12 Q C 1.757 177.755 176.000 -0.003 0.000 0.991 12 Q CA 1.927 57.719 55.803 -0.019 0.000 0.851 12 Q CB 0.129 28.855 28.738 -0.020 0.000 0.911 12 Q HN 0.463 8.733 8.270 0.000 0.000 0.418 13 K N -0.722 119.680 120.400 0.004 0.000 2.057 13 K HA -0.067 4.259 4.320 0.010 0.000 0.206 13 K C 2.210 178.833 176.600 0.037 0.000 1.050 13 K CA 1.602 57.893 56.287 0.007 0.000 0.935 13 K CB -0.108 32.402 32.500 0.015 0.000 0.715 13 K HN 0.220 8.470 8.250 0.000 0.000 0.439 14 T N 1.545 116.158 114.554 0.098 0.000 2.720 14 T HA -0.148 4.207 4.350 0.010 0.000 0.268 14 T C 1.691 176.554 174.700 0.271 0.000 1.037 14 T CA 1.456 63.699 62.100 0.237 0.000 1.144 14 T CB -0.061 68.914 68.868 0.178 0.000 0.864 14 T HN 0.238 8.478 8.240 0.000 0.000 0.444 15 K N 0.765 121.249 120.400 0.141 0.000 2.025 15 K HA -0.059 4.267 4.320 0.010 0.000 0.207 15 K C 2.443 179.089 176.600 0.078 0.000 1.049 15 K CA 1.192 57.563 56.287 0.140 0.000 0.933 15 K CB -0.126 32.407 32.500 0.055 0.000 0.714 15 K HN 0.407 8.657 8.250 0.000 0.000 0.438 16 E N 0.271 120.479 120.200 0.015 0.000 2.153 16 E HA -0.161 4.195 4.350 0.010 0.000 0.194 16 E C 1.242 177.783 176.600 -0.099 0.000 0.988 16 E CA 1.374 57.754 56.400 -0.033 0.000 0.811 16 E CB 0.207 29.882 29.700 -0.043 0.000 0.746 16 E HN 0.205 8.565 8.360 0.000 0.000 0.466 17 T N -0.945 113.498 114.554 -0.184 0.000 3.010 17 T HA 0.059 4.414 4.350 0.010 0.000 0.252 17 T C 0.670 175.018 174.700 -0.586 0.000 1.047 17 T CA 0.839 62.647 62.100 -0.486 0.000 1.140 17 T CB 0.030 68.446 68.868 -0.752 0.000 0.885 17 T HN 0.136 8.376 8.240 0.000 0.000 0.464 18 F N -1.426 118.549 119.950 0.041 0.000 2.212 18 F HA 0.436 4.942 4.527 -0.035 0.000 0.262 18 F C 1.275 176.995 175.800 -0.133 0.000 0.906 18 F CA -0.966 57.001 58.000 -0.055 0.000 1.127 18 F CB -0.383 38.576 39.000 -0.069 0.000 1.178 18 F HN -0.023 8.277 8.300 0.000 0.000 0.779 19 F N 1.195 121.266 119.950 0.202 0.000 2.407 19 F HA 0.104 4.611 4.527 -0.034 0.000 0.299 19 F C 2.445 178.281 175.800 0.059 0.000 1.097 19 F CA 1.260 59.327 58.000 0.112 0.000 1.422 19 F CB -0.972 38.076 39.000 0.080 0.000 1.067 19 F HN 0.060 8.360 8.300 0.000 0.000 0.539 20 G N -0.004 108.889 108.800 0.156 0.000 2.442 20 G HA2 -0.237 3.729 3.960 0.010 0.000 0.219 20 G HA3 -0.237 3.729 3.960 0.010 0.000 0.219 20 G C 1.856 176.782 174.900 0.044 0.000 1.141 20 G CA 0.542 45.690 45.100 0.079 0.000 0.763 20 G HN 0.241 8.531 8.290 0.000 0.000 0.554 21 R N -0.316 120.199 120.500 0.024 0.000 2.081 21 R HA -0.006 4.339 4.340 0.010 0.000 0.235 21 R C 2.668 178.960 176.300 -0.013 0.000 1.131 21 R CA 1.087 57.188 56.100 0.001 0.000 0.960 21 R CB -0.512 29.787 30.300 -0.001 0.000 0.856 21 R HN 0.300 8.570 8.270 0.000 0.000 0.436 22 V N 0.500 120.389 119.914 -0.042 0.000 2.295 22 V HA -0.221 3.905 4.120 0.010 0.000 0.246 22 V C 2.331 178.438 176.094 0.023 0.000 1.049 22 V CA 1.625 63.897 62.300 -0.048 0.000 1.024 22 V CB -0.324 31.415 31.823 -0.139 0.000 0.648 22 V HN 0.125 8.315 8.190 0.000 0.000 0.447 23 V N -0.178 119.771 119.914 0.059 0.000 2.261 23 V HA -0.294 3.831 4.120 0.010 0.000 0.246 23 V C 2.426 178.539 176.094 0.031 0.000 1.047 23 V CA 2.392 64.727 62.300 0.059 0.000 1.015 23 V CB -0.668 31.196 31.823 0.069 0.000 0.642 23 V HN 0.532 8.722 8.190 0.000 0.000 0.446 24 K N -0.417 119.996 120.400 0.023 0.000 2.103 24 K HA -0.230 4.095 4.320 0.010 0.000 0.207 24 K C 2.105 178.710 176.600 0.007 0.000 1.048 24 K CA 1.617 57.911 56.287 0.012 0.000 0.930 24 K CB -0.210 32.295 32.500 0.008 0.000 0.716 24 K HN 0.333 8.583 8.250 0.000 0.000 0.444 25 L N 0.771 121.996 121.223 0.005 0.000 2.093 25 L HA -0.083 4.263 4.340 0.010 0.000 0.208 25 L C 1.687 178.559 176.870 0.003 0.000 1.085 25 L CA 1.593 56.433 54.840 -0.000 0.000 0.755 25 L CB 0.017 42.071 42.059 -0.009 0.000 0.904 25 L HN 0.193 8.423 8.230 0.000 0.000 0.435 26 L N -1.373 119.856 121.223 0.009 0.000 2.609 26 L HA 0.118 4.464 4.340 0.010 0.000 0.230 26 L C 0.936 177.813 176.870 0.013 0.000 1.087 26 L CA -0.180 54.667 54.840 0.011 0.000 0.874 26 L CB -0.156 41.914 42.059 0.019 0.000 1.114 26 L HN 0.036 8.266 8.230 0.000 0.000 0.488 27 K N 1.549 121.958 120.400 0.015 0.000 2.436 27 K HA 0.085 4.411 4.320 0.010 0.000 0.282 27 K C 0.998 177.603 176.600 0.007 0.000 1.044 27 K CA 0.921 57.215 56.287 0.013 0.000 1.028 27 K CB 0.296 32.803 32.500 0.013 0.000 0.919 27 K HN 0.251 8.501 8.250 0.000 0.000 0.474 28 G N 3.042 111.846 108.800 0.006 0.000 2.168 28 G HA2 -0.261 3.705 3.960 0.010 0.000 0.257 28 G HA3 -0.261 3.705 3.960 0.010 0.000 0.257 28 G C -0.341 174.561 174.900 0.003 0.000 0.997 28 G CA 0.540 45.642 45.100 0.003 0.000 0.708 28 G HN 0.519 8.809 8.290 0.000 0.000 0.520 29 K N 0.153 120.555 120.400 0.003 0.000 2.203 29 K HA 0.658 4.984 4.320 0.010 0.000 0.251 29 K C 0.247 176.847 176.600 0.001 0.000 0.944 29 K CA -0.605 55.683 56.287 0.002 0.000 0.829 29 K CB 1.164 33.665 32.500 0.002 0.000 1.125 29 K HN 0.209 8.459 8.250 0.000 0.000 0.430 30 K N 1.714 122.113 120.400 -0.001 0.000 2.183 30 K HA 0.292 4.617 4.320 0.010 0.000 0.274 30 K C -0.480 176.118 176.600 -0.004 0.000 1.009 30 K CA -0.917 55.369 56.287 -0.002 0.000 0.888 30 K CB 1.029 33.527 32.500 -0.003 0.000 1.078 30 K HN 0.291 8.541 8.250 0.000 0.000 0.459 31 L N 5.214 126.433 121.223 -0.005 0.000 2.536 31 L HA 0.012 4.358 4.340 0.010 0.000 0.282 31 L C -0.398 176.468 176.870 -0.007 0.000 1.147 31 L CA 0.306 55.142 54.840 -0.007 0.000 0.936 31 L CB -0.611 41.442 42.059 -0.010 0.000 1.279 31 L HN 0.600 8.830 8.230 0.000 0.000 0.461 32 D N 1.228 121.625 120.400 -0.006 0.000 2.529 32 D HA 0.180 4.826 4.640 0.010 0.000 0.273 32 D C 0.496 176.793 176.300 -0.006 0.000 1.197 32 D CA -0.536 53.461 54.000 -0.006 0.000 1.070 32 D CB 0.522 41.320 40.800 -0.004 0.000 1.134 32 D HN 0.302 8.672 8.370 0.000 0.000 0.590 33 D N -0.838 119.559 120.400 -0.005 0.000 2.097 33 D HA -0.164 4.482 4.640 0.010 0.000 0.195 33 D C 1.594 177.891 176.300 -0.005 0.000 0.989 33 D CA 1.375 55.372 54.000 -0.005 0.000 0.827 33 D CB -0.160 40.638 40.800 -0.004 0.000 0.966 33 D HN 0.606 8.976 8.370 0.000 0.000 0.456 34 E N 0.398 120.596 120.200 -0.005 0.000 2.058 34 E HA -0.141 4.215 4.350 0.010 0.000 0.194 34 E C 1.894 178.490 176.600 -0.006 0.000 0.997 34 E CA 1.745 58.142 56.400 -0.005 0.000 0.801 34 E CB -0.465 29.233 29.700 -0.004 0.000 0.746 34 E HN 0.107 8.467 8.360 0.000 0.000 0.450 35 T N 0.312 114.862 114.554 -0.006 0.000 2.821 35 T HA -0.136 4.220 4.350 0.010 0.000 0.267 35 T C 1.838 176.532 174.700 -0.010 0.000 1.046 35 T CA 1.368 63.463 62.100 -0.008 0.000 1.139 35 T CB -0.304 68.561 68.868 -0.006 0.000 0.871 35 T HN 0.233 8.473 8.240 0.000 0.000 0.454 36 R N 1.201 121.695 120.500 -0.010 0.000 2.073 36 R HA -0.099 4.247 4.340 0.010 0.000 0.234 36 R C 2.199 178.491 176.300 -0.012 0.000 1.134 36 R CA 1.680 57.773 56.100 -0.011 0.000 0.952 36 R CB -0.121 30.173 30.300 -0.011 0.000 0.850 36 R HN 0.453 8.723 8.270 0.000 0.000 0.433 37 E N 0.065 120.259 120.200 -0.010 0.000 2.106 37 E HA -0.173 4.183 4.350 0.010 0.000 0.192 37 E C 1.966 178.559 176.600 -0.012 0.000 0.984 37 E CA 1.301 57.696 56.400 -0.009 0.000 0.806 37 E CB 0.053 29.750 29.700 -0.006 0.000 0.750 37 E HN 0.518 8.878 8.360 0.000 0.000 0.458 38 E N 0.601 120.793 120.200 -0.012 0.000 2.072 38 E HA -0.182 4.173 4.350 0.010 0.000 0.191 38 E C 2.162 178.747 176.600 -0.025 0.000 0.985 38 E CA 0.565 56.956 56.400 -0.014 0.000 0.801 38 E CB -0.057 29.636 29.700 -0.012 0.000 0.750 38 E HN 0.092 8.452 8.360 0.000 0.000 0.452 39 L N 1.826 123.032 121.223 -0.028 0.000 2.017 39 L HA -0.207 4.139 4.340 0.010 0.000 0.208 39 L C 2.322 179.163 176.870 -0.048 0.000 1.073 39 L CA 1.941 56.756 54.840 -0.042 0.000 0.745 39 L CB -0.419 41.622 42.059 -0.030 0.000 0.894 39 L HN 0.089 8.319 8.230 0.000 0.000 0.432 40 E N -0.599 119.582 120.200 -0.032 0.000 2.070 40 E HA -0.323 4.033 4.350 0.010 0.000 0.197 40 E C 2.154 178.730 176.600 -0.040 0.000 1.004 40 E CA 1.765 58.148 56.400 -0.028 0.000 0.805 40 E CB -0.288 29.403 29.700 -0.016 0.000 0.744 40 E HN 0.671 9.031 8.360 0.000 0.000 0.451 41 E N 0.166 120.345 120.200 -0.034 0.000 2.077 41 E HA -0.202 4.153 4.350 0.010 0.000 0.193 41 E C 2.334 178.899 176.600 -0.058 0.000 0.989 41 E CA 1.048 57.428 56.400 -0.034 0.000 0.800 41 E CB -0.063 29.628 29.700 -0.016 0.000 0.746 41 E HN 0.354 8.714 8.360 0.000 0.000 0.452 42 L N 0.515 121.696 121.223 -0.070 0.000 2.017 42 L HA -0.223 4.123 4.340 0.010 0.000 0.208 42 L C 2.639 179.371 176.870 -0.231 0.000 1.073 42 L CA 0.981 55.754 54.840 -0.110 0.000 0.745 42 L CB -0.412 41.578 42.059 -0.115 0.000 0.894 42 L HN 0.262 8.492 8.230 0.000 0.000 0.432 43 L N -0.705 120.404 121.223 -0.191 0.000 2.083 43 L HA -0.234 4.111 4.340 0.010 0.000 0.209 43 L C 2.575 179.347 176.870 -0.164 0.000 1.083 43 L CA 0.866 55.596 54.840 -0.184 0.000 0.752 43 L CB -0.436 41.580 42.059 -0.072 0.000 0.899 43 L HN 0.251 8.481 8.230 0.000 0.000 0.433 44 I N -0.168 120.329 120.570 -0.122 0.000 2.226 44 I HA -0.294 3.882 4.170 0.010 0.000 0.245 44 I C 2.550 178.567 176.117 -0.167 0.000 1.100 44 I CA 1.471 62.710 61.300 -0.102 0.000 1.374 44 I CB -0.904 37.062 38.000 -0.057 0.000 1.057 44 I HN 0.344 8.554 8.210 0.000 0.000 0.413 45 Q N 0.996 120.663 119.800 -0.222 0.000 2.170 45 Q HA -0.042 4.304 4.340 0.010 0.000 0.203 45 Q C 1.936 177.491 176.000 -0.741 0.000 0.976 45 Q CA 1.719 57.344 55.803 -0.295 0.000 0.858 45 Q CB -0.185 28.487 28.738 -0.111 0.000 0.907 45 Q HN 0.482 8.752 8.270 0.000 0.000 0.433 46 A N -0.460 121.784 122.820 -0.959 0.000 2.259 46 A HA 0.041 4.367 4.320 0.010 0.000 0.208 46 A C -0.042 177.353 177.584 -0.314 0.000 1.201 46 A CA 0.739 52.143 52.037 -1.054 0.000 0.824 46 A CB 0.072 18.642 19.000 -0.718 0.000 0.838 46 A HN 0.432 8.582 8.150 0.000 0.000 0.485 47 D N -2.491 117.788 120.400 -0.201 0.000 3.091 47 D HA -0.141 4.505 4.640 0.010 0.000 0.216 47 D C 0.844 177.146 176.300 0.003 0.000 1.129 47 D CA 0.932 54.898 54.000 -0.056 0.000 0.913 47 D CB -1.636 39.160 40.800 -0.007 0.000 1.101 47 D HN 0.259 8.629 8.370 0.000 0.000 0.426 48 V N -0.490 119.428 119.914 0.007 0.000 2.809 48 V HA 0.149 4.274 4.120 0.010 0.000 0.256 48 V C 1.637 177.757 176.094 0.043 0.000 1.080 48 V CA 1.715 64.054 62.300 0.064 0.000 1.102 48 V CB -0.430 31.452 31.823 0.099 0.000 0.705 48 V HN 0.693 8.883 8.190 0.000 0.000 0.475 49 G N -0.923 107.886 108.800 0.014 0.000 2.699 49 G HA2 -0.131 3.835 3.960 0.010 0.000 0.686 49 G HA3 -0.131 3.835 3.960 0.010 0.000 0.686 49 G C 0.148 175.060 174.900 0.021 0.000 1.301 49 G CA -0.455 44.654 45.100 0.014 0.000 0.816 49 G HN 0.007 8.297 8.290 0.000 0.000 0.595 50 V N 0.458 120.383 119.914 0.017 0.000 2.307 50 V HA -0.101 4.025 4.120 0.010 0.000 0.245 50 V C 2.669 178.785 176.094 0.037 0.000 1.045 50 V CA 2.930 65.243 62.300 0.021 0.000 1.024 50 V CB -0.568 31.265 31.823 0.015 0.000 0.651 50 V HN 0.911 9.101 8.190 0.000 0.000 0.449 51 E N 0.139 120.361 120.200 0.037 0.000 2.031 51 E HA -0.224 4.132 4.350 0.010 0.000 0.193 51 E C 2.166 178.819 176.600 0.088 0.000 0.994 51 E CA 1.993 58.423 56.400 0.050 0.000 0.800 51 E CB -0.139 29.576 29.700 0.026 0.000 0.752 51 E HN 0.595 8.955 8.360 0.000 0.000 0.447 52 T N 0.012 114.616 114.554 0.083 0.000 2.904 52 T HA -0.069 4.286 4.350 0.010 0.000 0.267 52 T C 1.821 176.615 174.700 0.157 0.000 1.059 52 T CA 1.347 63.529 62.100 0.136 0.000 1.137 52 T CB -0.290 68.641 68.868 0.105 0.000 0.879 52 T HN 0.205 8.445 8.240 0.000 0.000 0.467 53 T N 1.762 116.374 114.554 0.098 0.000 2.708 53 T HA -0.137 4.219 4.350 0.010 0.000 0.266 53 T C 2.010 176.753 174.700 0.072 0.000 1.037 53 T CA 1.638 63.782 62.100 0.072 0.000 1.146 53 T CB -0.263 68.625 68.868 0.034 0.000 0.865 53 T HN 0.438 8.678 8.240 0.000 0.000 0.435 54 E N 0.323 120.569 120.200 0.078 0.000 2.077 54 E HA -0.153 4.203 4.350 0.010 0.000 0.193 54 E C 1.891 178.545 176.600 0.089 0.000 0.989 54 E CA 1.143 57.584 56.400 0.067 0.000 0.800 54 E CB -0.544 29.195 29.700 0.065 0.000 0.746 54 E HN 0.617 8.977 8.360 0.000 0.000 0.452 55 Y N 0.696 121.009 120.300 0.022 0.000 2.128 55 Y HA -0.189 4.364 4.550 0.006 0.000 0.284 55 Y C 1.961 177.878 175.900 0.029 0.000 1.154 55 Y CA 2.087 60.202 58.100 0.025 0.000 1.149 55 Y CB -0.372 38.106 38.460 0.030 0.000 0.976 55 Y HN 0.096 8.376 8.280 0.000 0.000 0.505 56 I N -0.347 120.211 120.570 -0.021 0.000 2.163 56 I HA -0.370 3.806 4.170 0.010 0.000 0.243 56 I C 2.386 178.430 176.117 -0.121 0.000 1.085 56 I CA 1.561 62.806 61.300 -0.091 0.000 1.347 56 I CB -0.474 37.557 38.000 0.053 0.000 1.044 56 I HN 0.268 8.478 8.210 0.000 0.000 0.408 57 L N 0.133 121.319 121.223 -0.062 0.000 2.046 57 L HA -0.217 4.128 4.340 0.010 0.000 0.208 57 L C 2.507 179.328 176.870 -0.082 0.000 1.077 57 L CA 1.490 56.299 54.840 -0.052 0.000 0.747 57 L CB -0.682 41.363 42.059 -0.023 0.000 0.896 57 L HN 0.269 8.499 8.230 0.000 0.000 0.432 58 E N -0.289 119.847 120.200 -0.107 0.000 2.085 58 E HA -0.206 4.150 4.350 0.010 0.000 0.194 58 E C 2.371 178.878 176.600 -0.155 0.000 0.994 58 E CA 0.864 57.199 56.400 -0.109 0.000 0.801 58 E CB -0.006 29.645 29.700 -0.083 0.000 0.743 58 E HN 0.332 8.692 8.360 0.000 0.000 0.453 59 R N 0.557 120.893 120.500 -0.273 0.000 2.075 59 R HA -0.038 4.307 4.340 0.010 0.000 0.232 59 R C 2.469 178.690 176.300 -0.132 0.000 1.126 59 R CA 0.689 56.641 56.100 -0.247 0.000 0.963 59 R CB -0.821 29.239 30.300 -0.401 0.000 0.858 59 R HN 0.259 8.529 8.270 0.000 0.000 0.435 60 L N 0.955 122.113 121.223 -0.108 0.000 2.042 60 L HA -0.181 4.165 4.340 0.010 0.000 0.210 60 L C 1.981 178.824 176.870 -0.045 0.000 1.076 60 L CA 1.451 56.257 54.840 -0.058 0.000 0.749 60 L CB -0.413 41.622 42.059 -0.040 0.000 0.893 60 L HN 0.223 8.453 8.230 0.000 0.000 0.432 61 E N -0.187 119.983 120.200 -0.049 0.000 2.401 61 E HA -0.189 4.167 4.350 0.010 0.000 0.199 61 E C 1.529 178.110 176.600 -0.031 0.000 1.023 61 E CA 0.531 56.910 56.400 -0.035 0.000 0.859 61 E CB 0.030 29.710 29.700 -0.033 0.000 0.780 61 E HN 0.537 8.897 8.360 0.000 0.000 0.523 62 E N 0.446 120.623 120.200 -0.039 0.000 2.489 62 E HA 0.024 4.380 4.350 0.010 0.000 0.193 62 E C -0.146 176.442 176.600 -0.020 0.000 1.057 62 E CA 0.468 56.850 56.400 -0.029 0.000 0.866 62 E CB 0.274 29.953 29.700 -0.036 0.000 0.916 62 E HN 0.075 8.435 8.360 0.000 0.000 0.500 63 K N 0.824 121.212 120.400 -0.020 0.000 2.435 63 K HA 0.125 4.451 4.320 0.010 0.000 0.251 63 K C -0.557 176.036 176.600 -0.010 0.000 0.954 63 K CA -0.572 55.707 56.287 -0.013 0.000 0.820 63 K CB 1.401 33.894 32.500 -0.013 0.000 1.292 63 K HN -0.125 8.125 8.250 0.000 0.000 0.436 64 D N -0.075 120.321 120.400 -0.007 0.000 2.571 64 D HA 0.155 4.801 4.640 0.010 0.000 0.239 64 D C 0.332 176.630 176.300 -0.004 0.000 1.267 64 D CA -0.354 53.643 54.000 -0.005 0.000 0.823 64 D CB 0.424 41.221 40.800 -0.005 0.000 1.056 64 D HN 0.521 8.891 8.370 0.000 0.000 0.494 65 G N -0.353 108.445 108.800 -0.003 0.000 2.736 65 G HA2 0.225 4.191 3.960 0.010 0.000 0.229 65 G HA3 0.225 4.191 3.960 0.010 0.000 0.229 65 G C -0.544 174.356 174.900 -0.000 0.000 1.380 65 G CA -0.593 44.506 45.100 -0.001 0.000 1.040 65 G HN 0.090 8.380 8.290 0.000 0.000 0.568 66 D N 0.527 120.927 120.400 0.002 0.000 2.389 66 D HA 0.258 4.904 4.640 0.010 0.000 0.263 66 D C 1.497 177.801 176.300 0.006 0.000 1.255 66 D CA 0.362 54.364 54.000 0.004 0.000 0.914 66 D CB 1.117 41.919 40.800 0.005 0.000 1.116 66 D HN 0.331 8.701 8.370 0.000 0.000 0.502 67 A N 4.360 127.183 122.820 0.006 0.000 1.972 67 A HA -0.189 4.137 4.320 0.010 0.000 0.219 67 A C 1.945 179.539 177.584 0.017 0.000 1.169 67 A CA 0.888 52.930 52.037 0.007 0.000 0.635 67 A CB -0.332 18.670 19.000 0.005 0.000 0.810 67 A HN 0.608 8.758 8.150 0.000 0.000 0.446 68 L N -0.398 120.837 121.223 0.020 0.000 2.072 68 L HA -0.053 4.293 4.340 0.010 0.000 0.205 68 L C 2.077 178.967 176.870 0.032 0.000 1.079 68 L CA 2.010 56.870 54.840 0.033 0.000 0.752 68 L CB -0.571 41.507 42.059 0.032 0.000 0.906 68 L HN 0.308 8.538 8.230 0.000 0.000 0.436 69 E N -0.431 119.782 120.200 0.021 0.000 2.106 69 E HA -0.130 4.226 4.350 0.010 0.000 0.192 69 E C 2.248 178.860 176.600 0.019 0.000 0.984 69 E CA 1.300 57.711 56.400 0.019 0.000 0.806 69 E CB -0.289 29.418 29.700 0.011 0.000 0.750 69 E HN 0.498 8.858 8.360 0.000 0.000 0.458 70 S N 1.263 116.972 115.700 0.015 0.000 2.368 70 S HA -0.134 4.342 4.470 0.010 0.000 0.224 70 S C 1.956 176.568 174.600 0.020 0.000 1.029 70 S CA 0.707 58.914 58.200 0.011 0.000 0.988 70 S CB -0.272 62.929 63.200 0.001 0.000 0.838 70 S HN 0.137 8.447 8.310 0.000 0.000 0.462 71 L N 2.043 123.285 121.223 0.031 0.000 2.042 71 L HA -0.129 4.217 4.340 0.010 0.000 0.210 71 L C 1.975 178.886 176.870 0.068 0.000 1.076 71 L CA 1.826 56.698 54.840 0.053 0.000 0.749 71 L CB -0.509 41.594 42.059 0.073 0.000 0.893 71 L HN 0.137 8.367 8.230 0.000 0.000 0.432 72 K N -0.496 119.940 120.400 0.059 0.000 2.032 72 K HA -0.218 4.108 4.320 0.010 0.000 0.209 72 K C 1.971 178.601 176.600 0.051 0.000 1.048 72 K CA 2.048 58.370 56.287 0.058 0.000 0.927 72 K CB -0.241 32.284 32.500 0.042 0.000 0.712 72 K HN 0.468 8.718 8.250 0.000 0.000 0.441 73 E N 0.665 120.887 120.200 0.037 0.000 2.058 73 E HA -0.205 4.151 4.350 0.010 0.000 0.194 73 E C 2.041 178.667 176.600 0.043 0.000 0.997 73 E CA 1.359 57.777 56.400 0.030 0.000 0.801 73 E CB -0.177 29.535 29.700 0.020 0.000 0.746 73 E HN 0.267 8.627 8.360 0.000 0.000 0.450 74 I N 0.774 121.373 120.570 0.048 0.000 2.179 74 I HA -0.268 3.908 4.170 0.010 0.000 0.242 74 I C 2.318 178.501 176.117 0.111 0.000 1.088 74 I CA 1.083 62.425 61.300 0.069 0.000 1.357 74 I CB -0.179 37.837 38.000 0.027 0.000 1.051 74 I HN 0.106 8.316 8.210 0.000 0.000 0.409 75 I N -0.102 120.534 120.570 0.109 0.000 2.315 75 I HA -0.264 3.912 4.170 0.010 0.000 0.248 75 I C 2.454 178.623 176.117 0.087 0.000 1.117 75 I CA 0.901 62.279 61.300 0.130 0.000 1.404 75 I CB -0.232 37.860 38.000 0.154 0.000 1.071 75 I HN 0.234 8.444 8.210 0.000 0.000 0.419 76 L N 1.112 122.370 121.223 0.058 0.000 2.042 76 L HA -0.223 4.123 4.340 0.010 0.000 0.210 76 L C 2.312 179.166 176.870 -0.025 0.000 1.076 76 L CA 1.918 56.761 54.840 0.005 0.000 0.749 76 L CB -0.615 41.444 42.059 0.001 0.000 0.893 76 L HN 0.199 8.429 8.230 0.000 0.000 0.432 77 E N -0.535 119.678 120.200 0.022 0.000 2.051 77 E HA -0.238 4.118 4.350 0.010 0.000 0.192 77 E C 2.261 178.875 176.600 0.023 0.000 0.991 77 E CA 1.735 58.153 56.400 0.030 0.000 0.799 77 E CB -0.234 29.518 29.700 0.088 0.000 0.748 77 E HN 0.543 8.903 8.360 0.000 0.000 0.449 78 I N 0.821 121.434 120.570 0.071 0.000 2.264 78 I HA -0.252 3.924 4.170 0.010 0.000 0.248 78 I C 1.677 177.806 176.117 0.020 0.000 1.111 78 I CA 1.037 62.381 61.300 0.074 0.000 1.382 78 I CB -0.070 38.008 38.000 0.130 0.000 1.060 78 I HN 0.102 8.312 8.210 0.000 0.000 0.418 79 L N 0.420 121.578 121.223 -0.109 0.000 2.688 79 L HA 0.082 4.427 4.340 0.010 0.000 0.234 79 L C 0.491 176.802 176.870 -0.931 0.000 1.192 79 L CA -0.026 54.527 54.840 -0.477 0.000 0.984 79 L CB -0.790 41.140 42.059 -0.214 0.000 1.232 79 L HN 0.149 8.379 8.230 0.000 0.000 0.465 80 N N 1.367 119.765 118.700 -0.503 0.000 3.209 80 N HA 0.152 4.898 4.740 0.010 0.000 0.309 80 N C -0.530 174.830 175.510 -0.251 0.000 1.384 80 N CA -0.389 52.451 53.050 -0.350 0.000 1.173 80 N CB 0.007 38.414 38.487 -0.133 0.000 1.460 80 N HN 0.107 8.487 8.380 0.000 0.000 0.534 81 F N -1.666 118.302 119.950 0.029 0.000 2.557 81 F HA 0.536 5.067 4.527 0.007 0.000 0.336 81 F C 0.363 176.171 175.800 0.013 0.000 1.058 81 F CA -2.013 55.995 58.000 0.014 0.000 0.988 81 F CB 0.061 39.063 39.000 0.003 0.000 1.275 81 F HN -0.117 8.183 8.300 0.000 0.000 0.488 82 D N 0.484 121.054 120.400 0.283 0.000 2.339 82 D HA 0.156 4.802 4.640 0.010 0.000 0.256 82 D C 0.918 177.338 176.300 0.201 0.000 1.214 82 D CA 0.093 54.195 54.000 0.170 0.000 0.877 82 D CB 1.090 41.947 40.800 0.096 0.000 1.111 82 D HN 0.725 9.095 8.370 0.000 0.000 0.478 83 T N 0.431 115.089 114.554 0.174 0.000 3.107 83 T HA 0.136 4.492 4.350 0.010 0.000 0.249 83 T C 0.877 175.574 174.700 -0.004 0.000 1.096 83 T CA -0.134 62.037 62.100 0.118 0.000 1.012 83 T CB 0.098 69.046 68.868 0.133 0.000 0.977 83 T HN 0.152 8.392 8.240 0.000 0.000 0.527 84 K N 1.166 121.575 120.400 0.015 0.000 2.202 84 K HA 0.417 4.743 4.320 0.010 0.000 0.264 84 K C -0.112 176.511 176.600 0.039 0.000 1.010 84 K CA -0.471 55.819 56.287 0.003 0.000 0.940 84 K CB 0.820 33.322 32.500 0.003 0.000 0.983 84 K HN 0.247 8.497 8.250 0.000 0.000 0.475 85 L N 2.467 123.739 121.223 0.082 0.000 2.397 85 L HA 0.064 4.410 4.340 0.010 0.000 0.271 85 L C 0.416 177.298 176.870 0.020 0.000 1.148 85 L CA -0.435 54.508 54.840 0.172 0.000 0.825 85 L CB 0.386 42.658 42.059 0.355 0.000 1.117 85 L HN 0.523 8.753 8.230 0.000 0.000 0.456 86 N N 2.595 121.326 118.700 0.052 0.000 3.178 86 N HA 0.098 4.844 4.740 0.010 0.000 0.300 86 N C -0.554 174.762 175.510 -0.323 0.000 1.242 86 N CA -0.083 52.946 53.050 -0.035 0.000 1.192 86 N CB 0.110 38.658 38.487 0.102 0.000 1.463 86 N HN 0.208 8.588 8.380 0.000 0.000 0.539 87 V N 2.625 122.183 119.914 -0.593 0.000 2.572 87 V HA 0.162 4.288 4.120 0.010 0.000 0.291 87 V C -1.400 174.377 176.094 -0.529 0.000 1.039 87 V CA -1.120 60.595 62.300 -0.975 0.000 1.055 87 V CB 0.397 31.770 31.823 -0.750 0.000 0.969 87 V HN 0.352 8.542 8.190 0.000 0.000 0.482 88 P HA 0.318 4.738 4.420 0.000 0.000 0.276 88 P C -2.005 175.154 177.300 -0.236 0.000 1.252 88 P CA -1.664 61.224 63.100 -0.352 0.000 0.802 88 P CB 0.381 31.762 31.700 -0.531 0.000 1.035 89 P HA -0.057 4.363 4.420 0.000 0.000 0.218 89 P C 0.095 177.341 177.300 -0.090 0.000 1.149 89 P CA 1.571 64.611 63.100 -0.100 0.000 0.817 89 P CB 0.414 32.077 31.700 -0.061 0.000 0.785 90 E N 0.491 120.638 120.200 -0.089 0.000 2.222 90 E HA 0.340 4.696 4.350 0.010 0.000 0.267 90 E C -2.379 174.173 176.600 -0.079 0.000 0.884 90 E CA -2.509 53.851 56.400 -0.067 0.000 0.764 90 E CB 1.739 31.416 29.700 -0.038 0.000 1.169 90 E HN 0.155 8.515 8.360 0.000 0.000 0.413 91 P HA 0.194 4.614 4.420 0.000 0.000 0.272 91 P C -2.423 174.861 177.300 -0.027 0.000 1.240 91 P CA -1.099 61.971 63.100 -0.050 0.000 0.791 91 P CB -0.214 31.459 31.700 -0.046 0.000 0.978 92 P HA 0.219 4.639 4.420 0.000 0.000 0.284 92 P C -0.894 176.446 177.300 0.066 0.000 1.258 92 P CA -0.467 62.635 63.100 0.003 0.000 0.824 92 P CB 0.536 32.225 31.700 -0.018 0.000 1.038 93 F N 3.365 123.209 119.950 -0.177 0.000 2.438 93 F HA 0.237 4.769 4.527 0.009 0.000 0.360 93 F C -0.789 174.995 175.800 -0.027 0.000 1.118 93 F CA -1.133 56.746 58.000 -0.201 0.000 1.164 93 F CB -0.006 38.832 39.000 -0.271 0.000 1.131 93 F HN -0.052 8.248 8.300 0.000 0.000 0.527 94 V N 8.587 128.653 119.914 0.253 0.000 2.370 94 V HA 0.354 4.480 4.120 0.010 0.000 0.283 94 V C 0.198 176.150 176.094 -0.238 0.000 1.023 94 V CA -0.651 61.606 62.300 -0.071 0.000 0.857 94 V CB 1.308 33.109 31.823 -0.036 0.000 0.985 94 V HN 0.534 8.724 8.190 0.000 0.000 0.443 95 I N 5.709 126.043 120.570 -0.393 0.000 2.362 95 I HA 0.481 4.657 4.170 0.010 0.000 0.289 95 I C -0.117 175.889 176.117 -0.184 0.000 0.994 95 I CA -0.292 60.824 61.300 -0.307 0.000 1.158 95 I CB 1.651 39.417 38.000 -0.390 0.000 1.315 95 I HN 0.562 8.772 8.210 0.000 0.000 0.451 96 M N 7.425 126.958 119.600 -0.113 0.000 2.180 96 M HA 0.507 4.993 4.480 0.010 0.000 0.350 96 M C -1.593 174.670 176.300 -0.061 0.000 1.125 96 M CA -0.536 54.717 55.300 -0.078 0.000 1.031 96 M CB 1.384 33.961 32.600 -0.038 0.000 1.623 96 M HN 0.315 8.605 8.290 0.000 0.000 0.451 97 V N 6.499 126.365 119.914 -0.081 0.000 2.370 97 V HA 0.581 4.707 4.120 0.010 0.000 0.283 97 V C -0.230 175.806 176.094 -0.097 0.000 1.023 97 V CA -0.557 61.684 62.300 -0.099 0.000 0.857 97 V CB 1.349 33.095 31.823 -0.128 0.000 0.985 97 V HN 0.756 8.946 8.190 0.000 0.000 0.443 98 V N 2.232 122.066 119.914 -0.134 0.000 3.074 98 V HA 1.167 5.293 4.120 0.010 0.000 0.314 98 V C 0.031 175.836 176.094 -0.480 0.000 1.117 98 V CA -0.072 62.110 62.300 -0.196 0.000 1.014 98 V CB 1.620 33.401 31.823 -0.070 0.000 1.057 98 V HN 1.467 9.657 8.190 0.000 0.000 0.438 99 G N 0.131 108.432 108.800 -0.831 0.000 2.359 99 G HA2 0.513 4.479 3.960 0.010 0.000 0.314 99 G HA3 0.513 4.479 3.960 0.010 0.000 0.314 99 G C -0.814 173.812 174.900 -0.456 0.000 1.364 99 G CA -0.087 44.358 45.100 -1.091 0.000 0.978 99 G HN 2.150 10.440 8.290 0.000 0.000 0.615 100 V N -0.631 119.161 119.914 -0.204 0.000 2.924 100 V HA 0.550 4.676 4.120 0.010 0.000 0.305 100 V C 0.585 176.688 176.094 0.014 0.000 1.073 100 V CA -1.026 61.319 62.300 0.076 0.000 1.098 100 V CB 0.962 32.867 31.823 0.137 0.000 1.000 100 V HN 0.718 8.908 8.190 0.000 0.000 0.484 101 N N 1.967 120.698 118.700 0.051 0.000 2.441 101 N HA 0.359 5.104 4.740 0.010 0.000 0.251 101 N C 1.243 176.767 175.510 0.023 0.000 1.242 101 N CA 1.169 54.238 53.050 0.032 0.000 0.898 101 N CB 0.778 39.294 38.487 0.049 0.000 1.100 101 N HN 1.526 9.906 8.380 0.000 0.000 0.443 102 G N -0.258 108.551 108.800 0.015 0.000 2.176 102 G HA2 -0.317 3.649 3.960 0.010 0.000 0.253 102 G HA3 -0.317 3.649 3.960 0.010 0.000 0.253 102 G C 0.770 175.674 174.900 0.007 0.000 0.979 102 G CA 0.822 45.932 45.100 0.017 0.000 0.641 102 G HN 0.718 9.008 8.290 0.000 0.000 0.530 103 T N -1.772 112.775 114.554 -0.012 0.000 3.107 103 T HA 0.458 4.814 4.350 0.010 0.000 0.249 103 T C 2.019 176.700 174.700 -0.032 0.000 1.096 103 T CA 1.313 63.398 62.100 -0.025 0.000 1.012 103 T CB 0.434 69.269 68.868 -0.054 0.000 0.977 103 T HN 2.201 10.441 8.240 0.000 0.000 0.527 104 G N 1.578 110.361 108.800 -0.028 0.000 2.203 104 G HA2 -0.248 3.718 3.960 0.010 0.000 0.231 104 G HA3 -0.248 3.718 3.960 0.010 0.000 0.231 104 G C 0.569 175.417 174.900 -0.088 0.000 1.058 104 G CA 0.294 45.370 45.100 -0.040 0.000 0.781 104 G HN 0.526 8.816 8.290 0.000 0.000 0.496 105 K N -0.729 119.617 120.400 -0.091 0.000 2.001 105 K HA -0.025 4.301 4.320 0.010 0.000 0.208 105 K C 2.724 179.229 176.600 -0.158 0.000 1.048 105 K CA 1.889 58.100 56.287 -0.127 0.000 0.932 105 K CB -0.246 32.187 32.500 -0.113 0.000 0.715 105 K HN 0.318 8.568 8.250 0.000 0.000 0.437 106 T N 0.493 114.976 114.554 -0.119 0.000 2.708 106 T HA -0.139 4.217 4.350 0.010 0.000 0.266 106 T C 1.884 176.380 174.700 -0.341 0.000 1.037 106 T CA 1.793 63.805 62.100 -0.146 0.000 1.146 106 T CB -0.374 68.479 68.868 -0.025 0.000 0.865 106 T HN 0.268 8.508 8.240 0.000 0.000 0.435 107 T N 1.824 116.223 114.554 -0.259 0.000 2.699 107 T HA -0.118 4.238 4.350 0.010 0.000 0.268 107 T C 2.386 176.707 174.700 -0.631 0.000 1.036 107 T CA 1.595 63.428 62.100 -0.445 0.000 1.147 107 T CB -0.409 68.416 68.868 -0.070 0.000 0.862 107 T HN 0.322 8.562 8.240 0.000 0.000 0.446 108 S N 0.441 115.915 115.700 -0.378 0.000 2.383 108 S HA -0.112 4.364 4.470 0.010 0.000 0.227 108 S C 2.480 176.835 174.600 -0.409 0.000 1.026 108 S CA 0.896 58.886 58.200 -0.351 0.000 0.981 108 S CB -0.646 62.410 63.200 -0.240 0.000 0.818 108 S HN 0.598 8.908 8.310 0.000 0.000 0.472 109 C N 1.621 120.691 119.300 -0.384 0.000 2.376 109 C HA -0.118 4.348 4.460 0.010 0.000 0.275 109 C C 2.980 177.719 174.990 -0.420 0.000 1.200 109 C CA 0.860 59.677 59.018 -0.335 0.000 1.756 109 C CB -1.770 25.816 27.740 -0.258 0.000 2.050 109 C HN 0.726 8.956 8.230 0.000 0.000 0.460 110 G N 0.291 108.630 108.800 -0.768 0.000 2.421 110 G HA2 -0.208 3.758 3.960 0.010 0.000 0.216 110 G HA3 -0.208 3.758 3.960 0.010 0.000 0.216 110 G C 1.677 176.225 174.900 -0.588 0.000 1.171 110 G CA 0.815 45.379 45.100 -0.894 0.000 0.775 110 G HN 0.643 8.933 8.290 0.000 0.000 0.543 111 K N 0.000 119.961 120.400 -0.732 0.000 2.057 111 K HA 0.063 4.389 4.320 0.010 0.000 0.207 111 K C 2.545 178.984 176.600 -0.270 0.000 1.049 111 K CA 0.710 56.786 56.287 -0.351 0.000 0.931 111 K CB -0.342 31.985 32.500 -0.288 0.000 0.714 111 K HN 0.270 8.520 8.250 0.000 0.000 0.440 112 L N 0.751 121.777 121.223 -0.327 0.000 2.046 112 L HA -0.207 4.139 4.340 0.010 0.000 0.208 112 L C 2.660 179.466 176.870 -0.107 0.000 1.077 112 L CA 1.198 55.850 54.840 -0.313 0.000 0.747 112 L CB -0.621 41.276 42.059 -0.270 0.000 0.896 112 L HN 0.210 8.440 8.230 0.000 0.000 0.432 113 A N -0.285 122.518 122.820 -0.028 0.000 1.902 113 A HA -0.254 4.072 4.320 0.010 0.000 0.217 113 A C 2.417 180.054 177.584 0.089 0.000 1.181 113 A CA 1.843 53.938 52.037 0.098 0.000 0.623 113 A CB -0.479 18.548 19.000 0.045 0.000 0.818 113 A HN 0.282 8.432 8.150 0.000 0.000 0.443 114 K N -0.826 119.594 120.400 0.032 0.000 2.032 114 K HA -0.190 4.136 4.320 0.010 0.000 0.209 114 K C 2.151 178.747 176.600 -0.007 0.000 1.048 114 K CA 1.860 58.175 56.287 0.047 0.000 0.927 114 K CB -0.303 32.239 32.500 0.070 0.000 0.712 114 K HN 0.570 8.820 8.250 0.000 0.000 0.441 115 M N -0.133 119.399 119.600 -0.112 0.000 2.108 115 M HA -0.202 4.284 4.480 0.010 0.000 0.261 115 M C 1.651 177.833 176.300 -0.197 0.000 1.066 115 M CA 1.783 56.956 55.300 -0.213 0.000 1.107 115 M CB -0.104 32.257 32.600 -0.399 0.000 1.356 115 M HN 0.065 8.355 8.290 0.000 0.000 0.406 116 F N -0.789 119.165 119.950 0.006 0.000 2.234 116 F HA -0.093 4.442 4.527 0.012 0.000 0.296 116 F C 2.222 178.036 175.800 0.023 0.000 1.089 116 F CA 0.864 58.880 58.000 0.026 0.000 1.343 116 F CB -0.935 38.081 39.000 0.026 0.000 1.040 116 F HN -0.085 8.215 8.300 0.000 0.000 0.498 117 V N 0.003 120.026 119.914 0.181 0.000 2.427 117 V HA -0.253 3.873 4.120 0.010 0.000 0.248 117 V C 1.835 177.976 176.094 0.079 0.000 1.051 117 V CA 1.907 64.276 62.300 0.116 0.000 1.048 117 V CB -0.508 31.371 31.823 0.093 0.000 0.666 117 V HN 0.211 8.401 8.190 0.000 0.000 0.456 118 D N -0.008 120.426 120.400 0.057 0.000 2.178 118 D HA -0.154 4.492 4.640 0.010 0.000 0.201 118 D C 2.106 178.428 176.300 0.037 0.000 0.980 118 D CA 1.058 55.078 54.000 0.034 0.000 0.842 118 D CB -0.130 40.677 40.800 0.012 0.000 0.948 118 D HN 0.556 8.926 8.370 0.000 0.000 0.472 119 E N -0.529 119.704 120.200 0.056 0.000 2.427 119 E HA 0.149 4.505 4.350 0.010 0.000 0.196 119 E C 1.033 177.676 176.600 0.072 0.000 1.028 119 E CA 0.420 56.859 56.400 0.065 0.000 0.864 119 E CB 0.273 30.030 29.700 0.095 0.000 0.813 119 E HN 0.264 8.624 8.360 0.000 0.000 0.514 120 G N 1.771 110.617 108.800 0.076 0.000 2.142 120 G HA2 -0.197 3.769 3.960 0.010 0.000 0.225 120 G HA3 -0.197 3.769 3.960 0.010 0.000 0.225 120 G C -0.060 174.879 174.900 0.064 0.000 1.015 120 G CA -0.177 44.959 45.100 0.060 0.000 0.716 120 G HN -0.057 8.233 8.290 0.000 0.000 0.508 121 K N 0.632 121.090 120.400 0.096 0.000 2.095 121 K HA 0.682 5.008 4.320 0.010 0.000 0.252 121 K C 0.684 177.318 176.600 0.058 0.000 0.977 121 K CA -0.024 56.309 56.287 0.077 0.000 0.900 121 K CB 1.559 34.126 32.500 0.112 0.000 1.060 121 K HN 0.629 8.879 8.250 0.000 0.000 0.449 122 S N -0.356 115.356 115.700 0.020 0.000 2.525 122 S HA 0.529 5.005 4.470 0.010 0.000 0.278 122 S C -0.055 174.536 174.600 -0.014 0.000 1.234 122 S CA -0.768 57.438 58.200 0.010 0.000 1.058 122 S CB 0.914 64.112 63.200 -0.004 0.000 0.983 122 S HN 0.215 8.525 8.310 0.000 0.000 0.495 123 V N 3.059 122.975 119.914 0.002 0.000 2.656 123 V HA 0.541 4.667 4.120 0.010 0.000 0.307 123 V C -0.602 175.491 176.094 -0.003 0.000 1.051 123 V CA -0.782 61.506 62.300 -0.019 0.000 0.893 123 V CB 1.906 33.742 31.823 0.021 0.000 0.999 123 V HN 0.861 9.051 8.190 0.000 0.000 0.426 124 V N 5.758 125.657 119.914 -0.026 0.000 2.409 124 V HA 0.502 4.628 4.120 0.010 0.000 0.291 124 V C -0.316 175.755 176.094 -0.038 0.000 1.020 124 V CA -0.479 61.820 62.300 -0.001 0.000 0.848 124 V CB 1.650 33.492 31.823 0.031 0.000 0.990 124 V HN 0.642 8.832 8.190 0.000 0.000 0.430 125 L N 4.145 125.351 121.223 -0.029 0.000 2.295 125 L HA 0.791 5.137 4.340 0.010 0.000 0.285 125 L C 0.413 177.247 176.870 -0.061 0.000 1.035 125 L CA -0.398 54.412 54.840 -0.049 0.000 0.806 125 L CB 1.701 43.744 42.059 -0.028 0.000 1.214 125 L HN 0.749 8.979 8.230 0.000 0.000 0.426 126 A N 2.963 125.734 122.820 -0.082 0.000 2.258 126 A HA 0.697 5.023 4.320 0.010 0.000 0.316 126 A C 0.257 177.780 177.584 -0.102 0.000 1.279 126 A CA -0.480 51.498 52.037 -0.098 0.000 0.876 126 A CB 1.030 19.967 19.000 -0.105 0.000 1.170 126 A HN 0.768 8.918 8.150 0.000 0.000 0.520 127 A N 2.728 125.482 122.820 -0.111 0.000 3.091 127 A HA 0.509 4.835 4.320 0.010 0.000 0.264 127 A C 1.113 178.611 177.584 -0.142 0.000 1.673 127 A CA 0.337 52.311 52.037 -0.105 0.000 1.362 127 A CB -0.796 18.155 19.000 -0.082 0.000 1.137 127 A HN 1.627 9.777 8.150 0.000 0.000 0.617 128 A N 0.603 123.343 122.820 -0.133 0.000 2.307 128 A HA 0.179 4.505 4.320 0.010 0.000 0.218 128 A C 0.742 178.236 177.584 -0.150 0.000 1.228 128 A CA 0.158 52.104 52.037 -0.151 0.000 0.857 128 A CB -0.091 18.839 19.000 -0.117 0.000 0.897 128 A HN 0.502 8.652 8.150 0.000 0.000 0.495 129 D N 1.071 121.397 120.400 -0.125 0.000 2.619 129 D HA 0.096 4.742 4.640 0.010 0.000 0.224 129 D C 1.457 177.650 176.300 -0.177 0.000 1.133 129 D CA 0.705 54.642 54.000 -0.106 0.000 1.017 129 D CB 0.216 40.989 40.800 -0.046 0.000 1.077 129 D HN 0.342 8.712 8.370 0.000 0.000 0.503 130 T N -0.955 113.361 114.554 -0.396 0.000 3.055 130 T HA -0.066 4.290 4.350 0.010 0.000 0.265 130 T C 1.344 175.763 174.700 -0.468 0.000 1.111 130 T CA 0.432 62.212 62.100 -0.532 0.000 1.118 130 T CB -0.287 68.071 68.868 -0.850 0.000 0.909 130 T HN 0.146 8.386 8.240 0.000 0.000 0.501 131 F N 1.510 121.471 119.950 0.019 0.000 2.695 131 F HA 0.434 4.967 4.527 0.010 0.000 0.303 131 F C 1.065 176.876 175.800 0.019 0.000 1.091 131 F CA -0.995 57.017 58.000 0.020 0.000 1.300 131 F CB -0.016 38.996 39.000 0.019 0.000 1.071 131 F HN -0.062 8.238 8.300 0.000 0.000 0.578 132 R N 0.457 121.024 120.500 0.112 0.000 2.287 132 R HA 0.518 4.864 4.340 0.010 0.000 0.316 132 R C 1.116 177.444 176.300 0.047 0.000 1.050 132 R CA -0.077 56.071 56.100 0.080 0.000 0.983 132 R CB 1.085 31.425 30.300 0.067 0.000 1.140 132 R HN 0.103 8.373 8.270 0.000 0.000 0.528 133 A N 2.754 125.606 122.820 0.053 0.000 1.917 133 A HA -0.265 4.061 4.320 0.010 0.000 0.219 133 A C 2.199 179.803 177.584 0.032 0.000 1.182 133 A CA 2.212 54.271 52.037 0.038 0.000 0.633 133 A CB -0.290 18.734 19.000 0.040 0.000 0.819 133 A HN 0.752 8.902 8.150 0.000 0.000 0.448 134 A N -0.438 122.404 122.820 0.037 0.000 1.902 134 A HA 0.140 4.466 4.320 0.010 0.000 0.217 134 A C 2.490 180.098 177.584 0.041 0.000 1.181 134 A CA 2.237 54.296 52.037 0.036 0.000 0.623 134 A CB -0.917 18.105 19.000 0.038 0.000 0.818 134 A HN 1.093 9.243 8.150 0.000 0.000 0.443 135 A N -0.315 122.529 122.820 0.039 0.000 1.898 135 A HA 0.060 4.386 4.320 0.010 0.000 0.214 135 A C 2.070 179.674 177.584 0.033 0.000 1.183 135 A CA 1.188 53.249 52.037 0.039 0.000 0.622 135 A CB -0.564 18.451 19.000 0.026 0.000 0.824 135 A HN 0.451 8.601 8.150 0.000 0.000 0.444 136 I N -0.017 120.562 120.570 0.015 0.000 2.118 136 I HA -0.290 3.886 4.170 0.010 0.000 0.241 136 I C 2.479 178.611 176.117 0.026 0.000 1.070 136 I CA 1.577 62.880 61.300 0.006 0.000 1.327 136 I CB -0.281 37.715 38.000 -0.006 0.000 1.034 136 I HN 0.263 8.473 8.210 0.000 0.000 0.405 137 E N 0.303 120.521 120.200 0.030 0.000 2.106 137 E HA -0.200 4.156 4.350 0.010 0.000 0.192 137 E C 2.225 178.855 176.600 0.049 0.000 0.984 137 E CA 0.969 57.388 56.400 0.030 0.000 0.806 137 E CB -0.292 29.422 29.700 0.022 0.000 0.750 137 E HN 0.490 8.850 8.360 0.000 0.000 0.458 138 Q N 0.162 120.007 119.800 0.075 0.000 2.124 138 Q HA -0.108 4.238 4.340 0.010 0.000 0.202 138 Q C 2.306 178.453 176.000 0.246 0.000 0.977 138 Q CA 0.610 56.495 55.803 0.137 0.000 0.850 138 Q CB -0.401 28.439 28.738 0.170 0.000 0.901 138 Q HN 0.209 8.479 8.270 0.000 0.000 0.429 139 L N 0.970 122.297 121.223 0.173 0.000 2.109 139 L HA -0.116 4.230 4.340 0.010 0.000 0.207 139 L C 2.009 178.971 176.870 0.153 0.000 1.086 139 L CA 1.583 56.527 54.840 0.174 0.000 0.760 139 L CB -0.183 41.911 42.059 0.058 0.000 0.910 139 L HN 0.033 8.263 8.230 0.000 0.000 0.437 140 K N -0.740 119.713 120.400 0.088 0.000 2.026 140 K HA -0.162 4.164 4.320 0.010 0.000 0.208 140 K C 1.953 178.584 176.600 0.051 0.000 1.048 140 K CA 1.368 57.689 56.287 0.056 0.000 0.929 140 K CB -0.264 32.252 32.500 0.026 0.000 0.713 140 K HN 0.179 8.429 8.250 0.000 0.000 0.439 141 I N -0.018 120.567 120.570 0.025 0.000 2.194 141 I HA -0.266 3.910 4.170 0.010 0.000 0.246 141 I C 1.929 177.985 176.117 -0.101 0.000 1.093 141 I CA 1.457 62.713 61.300 -0.074 0.000 1.355 141 I CB -1.269 36.637 38.000 -0.157 0.000 1.046 141 I HN 0.299 8.509 8.210 0.000 0.000 0.413 142 W N 0.743 122.036 121.300 -0.011 0.000 2.436 142 W HA 0.005 4.670 4.660 0.009 0.000 0.284 142 W C 2.673 179.187 176.519 -0.009 0.000 1.225 142 W CA 1.137 58.475 57.345 -0.011 0.000 1.271 142 W CB -0.874 28.576 29.460 -0.016 0.000 1.114 142 W HN 0.143 8.323 8.180 0.000 0.000 0.559 143 G N 0.579 109.504 108.800 0.209 0.000 2.402 143 G HA2 -0.298 3.668 3.960 0.010 0.000 0.216 143 G HA3 -0.298 3.668 3.960 0.010 0.000 0.216 143 G C 1.349 176.298 174.900 0.081 0.000 1.162 143 G CA 1.658 46.833 45.100 0.124 0.000 0.777 143 G HN 0.305 8.595 8.290 0.000 0.000 0.539 144 E N 0.314 120.544 120.200 0.050 0.000 2.152 144 E HA -0.026 4.330 4.350 0.010 0.000 0.192 144 E C 2.347 178.956 176.600 0.015 0.000 0.983 144 E CA 1.080 57.493 56.400 0.022 0.000 0.818 144 E CB -0.533 29.167 29.700 0.001 0.000 0.758 144 E HN 0.640 9.000 8.360 0.000 0.000 0.467 145 R N -0.156 120.347 120.500 0.005 0.000 2.161 145 R HA 0.116 4.462 4.340 0.010 0.000 0.213 145 R C 1.826 178.146 176.300 0.034 0.000 1.055 145 R CA 1.156 57.242 56.100 -0.023 0.000 0.996 145 R CB 0.112 30.335 30.300 -0.128 0.000 0.901 145 R HN 0.345 8.615 8.270 0.000 0.000 0.456 146 V N -0.554 119.418 119.914 0.097 0.000 3.661 146 V HA 0.273 4.399 4.120 0.010 0.000 0.271 146 V C 0.558 176.704 176.094 0.087 0.000 1.315 146 V CA 0.681 63.052 62.300 0.119 0.000 1.072 146 V CB 1.030 32.972 31.823 0.199 0.000 0.830 146 V HN 0.587 8.777 8.190 0.000 0.000 0.443 147 G N 0.922 109.764 108.800 0.071 0.000 2.356 147 G HA2 0.124 4.090 3.960 0.010 0.000 0.233 147 G HA3 0.124 4.090 3.960 0.010 0.000 0.233 147 G C -0.150 174.786 174.900 0.060 0.000 1.105 147 G CA 0.124 45.258 45.100 0.056 0.000 0.861 147 G HN 1.079 9.369 8.290 0.000 0.000 0.493 148 A N -0.057 122.801 122.820 0.064 0.000 2.393 148 A HA 0.898 5.224 4.320 0.010 0.000 0.306 148 A C 0.389 178.002 177.584 0.048 0.000 1.050 148 A CA 0.190 52.262 52.037 0.057 0.000 0.724 148 A CB 1.255 20.294 19.000 0.063 0.000 1.248 148 A HN 0.907 9.057 8.150 0.000 0.000 0.424 149 T N 1.224 115.805 114.554 0.045 0.000 2.937 149 T HA 0.390 4.745 4.350 0.010 0.000 0.316 149 T C 0.043 174.751 174.700 0.014 0.000 1.079 149 T CA 0.415 62.537 62.100 0.038 0.000 1.131 149 T CB 0.238 69.153 68.868 0.078 0.000 1.000 149 T HN 0.599 8.839 8.240 0.000 0.000 0.549 150 V N 4.651 124.558 119.914 -0.011 0.000 2.531 150 V HA 0.383 4.509 4.120 0.010 0.000 0.301 150 V C -0.285 175.769 176.094 -0.066 0.000 1.034 150 V CA -0.995 61.289 62.300 -0.026 0.000 0.865 150 V CB 1.712 33.532 31.823 -0.005 0.000 0.995 150 V HN 0.680 8.870 8.190 0.000 0.000 0.424 151 I N 3.825 124.342 120.570 -0.088 0.000 2.331 151 I HA 0.660 4.835 4.170 0.010 0.000 0.292 151 I C 0.305 176.352 176.117 -0.116 0.000 0.998 151 I CA 0.477 61.708 61.300 -0.116 0.000 1.267 151 I CB 1.337 39.256 38.000 -0.135 0.000 1.386 151 I HN 0.784 8.994 8.210 0.000 0.000 0.476 152 S N 6.074 121.724 115.700 -0.084 0.000 2.547 152 S HA 0.562 5.038 4.470 0.010 0.000 0.270 152 S C -1.210 173.426 174.600 0.060 0.000 1.150 152 S CA -0.603 57.544 58.200 -0.087 0.000 0.850 152 S CB 1.242 64.419 63.200 -0.039 0.000 1.118 152 S HN 0.682 8.992 8.310 0.000 0.000 0.461 153 H N 0.841 119.885 119.070 -0.044 0.000 2.651 153 H HA 0.572 5.134 4.556 0.010 0.000 0.353 153 H C 0.375 175.685 175.328 -0.029 0.000 1.178 153 H CA -0.930 55.098 56.048 -0.033 0.000 1.224 153 H CB 1.646 31.389 29.762 -0.032 0.000 1.702 153 H HN 0.791 9.071 8.280 0.000 0.000 0.550 154 S N 1.097 116.864 115.700 0.112 0.000 2.566 154 S HA -0.099 4.377 4.470 0.010 0.000 0.280 154 S C 0.463 175.099 174.600 0.060 0.000 1.343 154 S CA -0.746 57.490 58.200 0.061 0.000 1.036 154 S CB 0.799 64.024 63.200 0.041 0.000 0.866 154 S HN 0.657 8.967 8.310 0.000 0.000 0.526 155 E N 1.022 121.250 120.200 0.047 0.000 2.604 155 E HA 0.057 4.413 4.350 0.010 0.000 0.267 155 E C 1.412 178.072 176.600 0.100 0.000 0.970 155 E CA 1.701 58.135 56.400 0.055 0.000 0.956 155 E CB -0.070 29.671 29.700 0.068 0.000 0.939 155 E HN 1.368 9.728 8.360 0.000 0.000 0.465 156 G N 2.298 111.183 108.800 0.143 0.000 2.157 156 G HA2 -0.258 3.708 3.960 0.010 0.000 0.248 156 G HA3 -0.258 3.708 3.960 0.010 0.000 0.248 156 G C 0.399 175.434 174.900 0.224 0.000 0.979 156 G CA 0.469 45.770 45.100 0.334 0.000 0.650 156 G HN 0.864 9.154 8.290 0.000 0.000 0.529 157 A N -0.206 122.635 122.820 0.035 0.000 2.366 157 A HA 0.509 4.835 4.320 0.010 0.000 0.250 157 A C 0.511 178.071 177.584 -0.039 0.000 1.099 157 A CA 0.559 52.632 52.037 0.061 0.000 0.794 157 A CB 0.273 19.370 19.000 0.161 0.000 1.056 157 A HN 0.465 8.615 8.150 0.000 0.000 0.499 158 D N 0.282 120.720 120.400 0.063 0.000 2.339 158 D HA 0.254 4.900 4.640 0.010 0.000 0.256 158 D C -1.660 174.616 176.300 -0.040 0.000 1.214 158 D CA -1.796 52.234 54.000 0.050 0.000 0.877 158 D CB 1.086 41.935 40.800 0.082 0.000 1.111 158 D HN 0.067 8.437 8.370 0.000 0.000 0.478 159 P HA -0.077 4.343 4.420 0.000 0.000 0.217 159 P C 0.935 178.203 177.300 -0.053 0.000 1.150 159 P CA 1.119 64.144 63.100 -0.125 0.000 0.832 159 P CB 0.160 31.793 31.700 -0.112 0.000 0.787 160 A N 0.200 123.021 122.820 0.000 0.000 1.930 160 A HA -0.052 4.274 4.320 0.010 0.000 0.217 160 A C 2.350 179.975 177.584 0.068 0.000 1.175 160 A CA 1.924 53.982 52.037 0.035 0.000 0.627 160 A CB -1.534 17.490 19.000 0.040 0.000 0.815 160 A HN 0.196 8.346 8.150 0.000 0.000 0.443 161 A N -0.452 122.403 122.820 0.058 0.000 1.902 161 A HA -0.019 4.307 4.320 0.010 0.000 0.217 161 A C 2.216 179.871 177.584 0.117 0.000 1.181 161 A CA 1.834 53.945 52.037 0.125 0.000 0.623 161 A CB -0.909 18.189 19.000 0.163 0.000 0.818 161 A HN 0.390 8.540 8.150 0.000 0.000 0.443 162 V N -0.213 119.638 119.914 -0.105 0.000 2.343 162 V HA -0.229 3.897 4.120 0.010 0.000 0.247 162 V C 3.039 179.059 176.094 -0.124 0.000 1.051 162 V CA 1.921 64.023 62.300 -0.330 0.000 1.036 162 V CB -1.245 30.314 31.823 -0.439 0.000 0.654 162 V HN 0.617 8.807 8.190 0.000 0.000 0.451 163 A N -0.331 122.459 122.820 -0.050 0.000 1.873 163 A HA -0.222 4.104 4.320 0.010 0.000 0.215 163 A C 2.122 179.718 177.584 0.019 0.000 1.186 163 A CA 1.937 53.957 52.037 -0.028 0.000 0.616 163 A CB -0.735 18.256 19.000 -0.015 0.000 0.823 163 A HN 0.527 8.677 8.150 0.000 0.000 0.442 164 F N 1.232 121.156 119.950 -0.044 0.000 2.069 164 F HA -0.244 4.289 4.527 0.010 0.000 0.298 164 F C 1.818 177.616 175.800 -0.002 0.000 1.113 164 F CA 2.340 60.330 58.000 -0.017 0.000 1.214 164 F CB -0.280 38.721 39.000 0.001 0.000 0.978 164 F HN 0.236 8.536 8.300 0.000 0.000 0.474 165 D N 0.417 120.907 120.400 0.150 0.000 2.123 165 D HA -0.169 4.477 4.640 0.010 0.000 0.196 165 D C 2.362 178.636 176.300 -0.043 0.000 0.992 165 D CA 1.557 55.600 54.000 0.071 0.000 0.833 165 D CB -0.650 40.249 40.800 0.165 0.000 0.954 165 D HN 0.397 8.767 8.370 0.000 0.000 0.455 166 A N 0.112 122.897 122.820 -0.060 0.000 1.933 166 A HA -0.127 4.199 4.320 0.010 0.000 0.218 166 A C 2.485 180.038 177.584 -0.051 0.000 1.175 166 A CA 1.247 53.256 52.037 -0.048 0.000 0.628 166 A CB -0.577 18.379 19.000 -0.073 0.000 0.814 166 A HN 0.169 8.319 8.150 0.000 0.000 0.444 167 V N -0.435 119.399 119.914 -0.135 0.000 2.407 167 V HA -0.138 3.988 4.120 0.010 0.000 0.245 167 V C 3.042 179.020 176.094 -0.193 0.000 1.041 167 V CA 1.602 63.808 62.300 -0.157 0.000 1.040 167 V CB -1.121 30.595 31.823 -0.177 0.000 0.671 167 V HN 0.597 8.787 8.190 0.000 0.000 0.455 168 A N -0.172 122.450 122.820 -0.331 0.000 1.892 168 A HA -0.347 3.979 4.320 0.010 0.000 0.218 168 A C 2.107 179.621 177.584 -0.116 0.000 1.188 168 A CA 2.630 54.481 52.037 -0.309 0.000 0.631 168 A CB -0.900 17.821 19.000 -0.464 0.000 0.822 168 A HN 0.755 8.905 8.150 0.000 0.000 0.447 169 H N -0.075 118.911 119.070 -0.140 0.000 2.293 169 H HA 0.021 4.583 4.556 0.010 0.000 0.300 169 H C 2.211 177.497 175.328 -0.070 0.000 1.082 169 H CA 2.133 58.134 56.048 -0.078 0.000 1.308 169 H CB -0.417 29.311 29.762 -0.057 0.000 1.375 169 H HN 0.381 8.661 8.280 0.000 0.000 0.495 170 A N 0.444 123.201 122.820 -0.104 0.000 1.917 170 A HA -0.165 4.161 4.320 0.010 0.000 0.219 170 A C 2.456 179.948 177.584 -0.155 0.000 1.182 170 A CA 1.850 53.799 52.037 -0.146 0.000 0.633 170 A CB -1.020 17.938 19.000 -0.071 0.000 0.819 170 A HN 0.500 8.650 8.150 0.000 0.000 0.448 171 L N -0.633 120.514 121.223 -0.127 0.000 2.044 171 L HA 0.071 4.417 4.340 0.010 0.000 0.205 171 L C 2.636 179.442 176.870 -0.107 0.000 1.075 171 L CA 2.095 56.874 54.840 -0.102 0.000 0.747 171 L CB -0.623 41.379 42.059 -0.096 0.000 0.903 171 L HN 0.304 8.534 8.230 0.000 0.000 0.435 172 A N -0.938 121.808 122.820 -0.124 0.000 2.067 172 A HA -0.091 4.235 4.320 0.010 0.000 0.219 172 A C 2.027 179.536 177.584 -0.125 0.000 1.158 172 A CA 1.319 53.294 52.037 -0.103 0.000 0.661 172 A CB -0.410 18.544 19.000 -0.077 0.000 0.801 172 A HN 0.382 8.532 8.150 0.000 0.000 0.452 173 R N -1.176 119.207 120.500 -0.195 0.000 2.546 173 R HA 0.231 4.577 4.340 0.010 0.000 0.320 173 R C 0.360 176.574 176.300 -0.142 0.000 1.021 173 R CA 0.174 56.159 56.100 -0.192 0.000 1.088 173 R CB -1.279 28.821 30.300 -0.333 0.000 1.278 173 R HN 0.734 9.004 8.270 0.000 0.000 0.557 174 N N 0.855 119.485 118.700 -0.116 0.000 2.735 174 N HA -0.192 4.554 4.740 0.010 0.000 0.248 174 N C -0.457 175.006 175.510 -0.078 0.000 1.083 174 N CA 0.852 53.854 53.050 -0.081 0.000 0.703 174 N CB -1.045 37.406 38.487 -0.060 0.000 1.005 174 N HN 0.481 8.861 8.380 0.000 0.000 0.550 175 K N -0.091 120.250 120.400 -0.099 0.000 2.202 175 K HA 0.159 4.485 4.320 0.010 0.000 0.264 175 K C 0.849 177.410 176.600 -0.065 0.000 1.010 175 K CA -0.173 56.065 56.287 -0.081 0.000 0.940 175 K CB 0.492 32.936 32.500 -0.093 0.000 0.983 175 K HN 0.040 8.290 8.250 0.000 0.000 0.475 176 D N 0.573 120.938 120.400 -0.057 0.000 2.201 176 D HA 0.006 4.652 4.640 0.010 0.000 0.209 176 D C -0.131 176.119 176.300 -0.083 0.000 0.961 176 D CA 0.918 54.884 54.000 -0.057 0.000 0.861 176 D CB 0.413 41.188 40.800 -0.043 0.000 0.997 176 D HN 0.144 8.514 8.370 0.000 0.000 0.486 177 V N 0.969 120.798 119.914 -0.142 0.000 2.789 177 V HA 0.391 4.517 4.120 0.010 0.000 0.311 177 V C -0.314 175.655 176.094 -0.208 0.000 1.073 177 V CA -0.876 61.269 62.300 -0.260 0.000 0.921 177 V CB 2.889 34.382 31.823 -0.550 0.000 1.009 177 V HN -0.252 7.938 8.190 0.000 0.000 0.426 178 V N 4.838 124.609 119.914 -0.237 0.000 2.444 178 V HA 0.553 4.679 4.120 0.010 0.000 0.294 178 V C -0.458 175.490 176.094 -0.243 0.000 1.022 178 V CA -0.393 61.796 62.300 -0.184 0.000 0.850 178 V CB 1.755 33.502 31.823 -0.127 0.000 0.992 178 V HN 0.694 8.884 8.190 0.000 0.000 0.426 179 I N 5.713 126.169 120.570 -0.190 0.000 2.355 179 I HA 0.481 4.656 4.170 0.010 0.000 0.288 179 I C -0.583 175.451 176.117 -0.139 0.000 0.999 179 I CA -0.346 60.846 61.300 -0.180 0.000 1.163 179 I CB 1.670 39.580 38.000 -0.149 0.000 1.316 179 I HN 0.465 8.675 8.210 0.000 0.000 0.454 180 I N 5.316 125.805 120.570 -0.134 0.000 2.307 180 I HA 0.186 4.361 4.170 0.010 0.000 0.289 180 I C -0.130 175.926 176.117 -0.101 0.000 1.021 180 I CA -0.442 60.793 61.300 -0.109 0.000 1.224 180 I CB 1.001 38.942 38.000 -0.098 0.000 1.376 180 I HN 0.476 8.686 8.210 0.000 0.000 0.470 181 D N 5.592 125.933 120.400 -0.098 0.000 2.348 181 D HA 0.217 4.863 4.640 0.010 0.000 0.253 181 D C -0.038 176.219 176.300 -0.071 0.000 1.161 181 D CA 0.109 54.055 54.000 -0.090 0.000 0.876 181 D CB 1.073 41.820 40.800 -0.088 0.000 1.160 181 D HN 0.606 8.976 8.370 0.000 0.000 0.459 182 T N 0.124 114.647 114.554 -0.052 0.000 2.940 182 T HA 0.780 5.136 4.350 0.010 0.000 0.288 182 T C 0.087 174.790 174.700 0.004 0.000 1.045 182 T CA -0.988 61.100 62.100 -0.021 0.000 1.018 182 T CB 1.344 70.221 68.868 0.014 0.000 1.151 182 T HN 0.367 8.607 8.240 0.000 0.000 0.529 183 A N -0.417 122.424 122.820 0.036 0.000 2.386 183 A HA 0.629 4.955 4.320 0.010 0.000 0.248 183 A C 0.993 178.649 177.584 0.121 0.000 1.082 183 A CA -0.194 51.888 52.037 0.075 0.000 0.789 183 A CB -0.355 18.713 19.000 0.114 0.000 1.025 183 A HN 1.500 9.650 8.150 0.000 0.000 0.490 184 G N -0.082 108.791 108.800 0.123 0.000 4.867 184 G HA2 0.498 4.464 3.960 0.010 0.000 0.258 184 G HA3 0.498 4.464 3.960 0.010 0.000 0.258 184 G C 0.417 175.407 174.900 0.150 0.000 0.999 184 G CA 0.413 45.622 45.100 0.182 0.000 0.797 184 G HN 1.186 9.476 8.290 0.000 0.000 0.505 185 R N -0.872 119.701 120.500 0.123 0.000 2.522 185 R HA 0.654 5.000 4.340 0.010 0.000 0.284 185 R C 1.207 177.552 176.300 0.074 0.000 1.032 185 R CA 0.572 56.727 56.100 0.091 0.000 1.049 185 R CB -0.137 30.213 30.300 0.084 0.000 0.956 185 R HN 1.116 9.386 8.270 0.000 0.000 0.422 186 L N 0.425 121.683 121.223 0.057 0.000 2.515 186 L HA 0.281 4.627 4.340 0.010 0.000 0.223 186 L C 2.327 179.204 176.870 0.011 0.000 1.079 186 L CA 1.718 56.582 54.840 0.040 0.000 0.857 186 L CB -1.683 40.407 42.059 0.052 0.000 1.050 186 L HN 1.252 9.482 8.230 0.000 0.000 0.476 187 H N -0.084 118.992 119.070 0.010 0.000 2.556 187 H HA 0.419 4.981 4.556 0.010 0.000 0.273 187 H C 1.145 176.466 175.328 -0.012 0.000 1.030 187 H CA 1.089 57.136 56.048 -0.001 0.000 1.156 187 H CB -0.503 29.259 29.762 0.000 0.000 1.326 187 H HN 0.757 9.037 8.280 0.000 0.000 0.609 188 T N -2.899 111.645 114.554 -0.017 0.000 3.233 188 T HA 0.245 4.601 4.350 0.010 0.000 0.324 188 T C 0.630 175.306 174.700 -0.040 0.000 0.992 188 T CA -0.387 61.698 62.100 -0.025 0.000 1.414 188 T CB 1.079 69.935 68.868 -0.020 0.000 0.935 188 T HN 0.418 8.658 8.240 0.000 0.000 0.544 189 K N 1.599 121.968 120.400 -0.052 0.000 2.002 189 K HA -0.123 4.203 4.320 0.010 0.000 0.209 189 K C 2.431 178.985 176.600 -0.077 0.000 1.048 189 K CA 1.432 57.670 56.287 -0.081 0.000 0.930 189 K CB -0.072 32.380 32.500 -0.079 0.000 0.714 189 K HN 0.298 8.548 8.250 0.000 0.000 0.438 190 K N 0.230 120.597 120.400 -0.055 0.000 2.057 190 K HA -0.141 4.184 4.320 0.010 0.000 0.206 190 K C 2.222 178.799 176.600 -0.037 0.000 1.050 190 K CA 1.825 58.084 56.287 -0.047 0.000 0.935 190 K CB -1.345 31.133 32.500 -0.036 0.000 0.715 190 K HN 0.603 8.853 8.250 0.000 0.000 0.439 191 N N 0.698 119.381 118.700 -0.029 0.000 2.142 191 N HA -0.074 4.672 4.740 0.010 0.000 0.186 191 N C 1.860 177.369 175.510 -0.002 0.000 1.023 191 N CA 1.643 54.685 53.050 -0.013 0.000 0.852 191 N CB -0.560 37.918 38.487 -0.014 0.000 0.998 191 N HN 0.265 8.645 8.380 0.000 0.000 0.424 192 L N -0.117 121.096 121.223 -0.016 0.000 2.056 192 L HA 0.150 4.496 4.340 0.010 0.000 0.207 192 L C 2.577 179.430 176.870 -0.029 0.000 1.078 192 L CA 1.821 56.657 54.840 -0.007 0.000 0.749 192 L CB -0.550 41.489 42.059 -0.033 0.000 0.901 192 L HN 0.566 8.796 8.230 0.000 0.000 0.433 193 M N -0.789 118.769 119.600 -0.071 0.000 2.082 193 M HA -0.275 4.210 4.480 0.010 0.000 0.258 193 M C 2.198 178.480 176.300 -0.029 0.000 1.069 193 M CA 2.240 57.497 55.300 -0.073 0.000 1.102 193 M CB -0.124 32.424 32.600 -0.086 0.000 1.336 193 M HN 0.211 8.501 8.290 0.000 0.000 0.404 194 E N -0.326 119.864 120.200 -0.016 0.000 2.106 194 E HA -0.248 4.108 4.350 0.010 0.000 0.192 194 E C 1.771 178.385 176.600 0.023 0.000 0.984 194 E CA 1.487 57.887 56.400 0.001 0.000 0.806 194 E CB -0.608 29.093 29.700 0.001 0.000 0.750 194 E HN 0.750 9.110 8.360 0.000 0.000 0.458 195 E N 0.276 120.498 120.200 0.037 0.000 2.051 195 E HA -0.165 4.191 4.350 0.010 0.000 0.192 195 E C 2.249 178.887 176.600 0.062 0.000 0.991 195 E CA 1.216 57.653 56.400 0.063 0.000 0.799 195 E CB -0.184 29.572 29.700 0.092 0.000 0.748 195 E HN 0.324 8.684 8.360 0.000 0.000 0.449 196 L N 0.185 121.445 121.223 0.061 0.000 2.056 196 L HA -0.141 4.205 4.340 0.010 0.000 0.207 196 L C 2.827 179.746 176.870 0.081 0.000 1.078 196 L CA 1.227 56.115 54.840 0.080 0.000 0.749 196 L CB -0.382 41.734 42.059 0.094 0.000 0.901 196 L HN 0.121 8.351 8.230 0.000 0.000 0.433 197 R N -0.371 120.156 120.500 0.044 0.000 2.096 197 R HA -0.166 4.180 4.340 0.010 0.000 0.235 197 R C 2.574 178.919 176.300 0.075 0.000 1.127 197 R CA 1.298 57.421 56.100 0.038 0.000 0.968 197 R CB -0.302 29.997 30.300 -0.002 0.000 0.861 197 R HN 0.057 8.327 8.270 0.000 0.000 0.440 198 K N 0.376 120.812 120.400 0.061 0.000 2.026 198 K HA -0.067 4.259 4.320 0.010 0.000 0.208 198 K C 2.076 178.720 176.600 0.072 0.000 1.048 198 K CA 1.334 57.656 56.287 0.059 0.000 0.929 198 K CB -0.539 31.989 32.500 0.047 0.000 0.713 198 K HN 0.101 8.351 8.250 0.000 0.000 0.439 199 V N 0.567 120.526 119.914 0.075 0.000 2.343 199 V HA -0.232 3.894 4.120 0.010 0.000 0.247 199 V C 2.579 178.713 176.094 0.066 0.000 1.051 199 V CA 2.261 64.597 62.300 0.061 0.000 1.036 199 V CB -0.773 31.077 31.823 0.045 0.000 0.654 199 V HN 0.637 8.827 8.190 0.000 0.000 0.451 200 H N 0.431 119.505 119.070 0.008 0.000 2.353 200 H HA -0.159 4.402 4.556 0.009 0.000 0.300 200 H C 2.563 177.890 175.328 -0.001 0.000 1.090 200 H CA 2.323 58.369 56.048 -0.003 0.000 1.327 200 H CB 0.171 29.933 29.762 0.001 0.000 1.383 200 H HN 0.315 8.595 8.280 0.000 0.000 0.508 201 R N 0.009 120.602 120.500 0.156 0.000 2.073 201 R HA -0.059 4.287 4.340 0.010 0.000 0.229 201 R C 2.496 178.834 176.300 0.063 0.000 1.120 201 R CA 1.064 57.227 56.100 0.105 0.000 0.967 201 R CB -0.355 29.997 30.300 0.085 0.000 0.862 201 R HN 0.132 8.402 8.270 0.000 0.000 0.436 202 V N 1.135 121.090 119.914 0.069 0.000 2.490 202 V HA -0.166 3.960 4.120 0.010 0.000 0.250 202 V C 2.164 178.343 176.094 0.141 0.000 1.061 202 V CA 1.806 64.168 62.300 0.103 0.000 1.064 202 V CB 0.168 32.058 31.823 0.111 0.000 0.670 202 V HN 0.451 8.641 8.190 0.000 0.000 0.461 203 V N -2.015 117.928 119.914 0.049 0.000 2.913 203 V HA -0.144 3.982 4.120 0.010 0.000 0.260 203 V C 2.189 178.269 176.094 -0.023 0.000 1.098 203 V CA 1.865 64.160 62.300 -0.007 0.000 1.121 203 V CB -1.073 30.693 31.823 -0.095 0.000 0.714 203 V HN 0.552 8.742 8.190 0.000 0.000 0.487 204 K N 0.545 120.939 120.400 -0.010 0.000 2.366 204 K HA 0.009 4.335 4.320 0.010 0.000 0.198 204 K C 2.075 178.699 176.600 0.040 0.000 1.044 204 K CA 0.814 57.098 56.287 -0.006 0.000 0.973 204 K CB -0.197 32.301 32.500 -0.004 0.000 0.767 204 K HN 0.503 8.753 8.250 0.000 0.000 0.475 205 K N 0.841 121.299 120.400 0.096 0.000 2.089 205 K HA -0.191 4.135 4.320 0.010 0.000 0.210 205 K C 2.113 178.782 176.600 0.115 0.000 1.048 205 K CA 1.720 58.097 56.287 0.150 0.000 0.926 205 K CB 0.017 32.695 32.500 0.297 0.000 0.714 205 K HN -0.044 8.206 8.250 0.000 0.000 0.448 206 K N -0.263 120.167 120.400 0.049 0.000 2.214 206 K HA 0.217 4.543 4.320 0.010 0.000 0.201 206 K C 0.960 177.544 176.600 -0.026 0.000 1.049 206 K CA 0.591 56.858 56.287 -0.033 0.000 0.978 206 K CB 0.345 32.742 32.500 -0.172 0.000 0.842 206 K HN 0.134 8.384 8.250 0.000 0.000 0.474 207 I N 1.165 121.716 120.570 -0.032 0.000 2.517 207 I HA 0.245 4.421 4.170 0.010 0.000 0.280 207 I C -2.413 173.678 176.117 -0.043 0.000 1.061 207 I CA -2.386 58.900 61.300 -0.023 0.000 1.091 207 I CB 2.464 40.454 38.000 -0.016 0.000 1.205 207 I HN -0.068 8.142 8.210 0.000 0.000 0.459 208 P HA -0.179 4.241 4.420 0.000 0.000 0.216 208 P C 0.558 177.830 177.300 -0.046 0.000 1.154 208 P CA 1.518 64.607 63.100 -0.017 0.000 0.865 208 P CB 0.202 31.907 31.700 0.007 0.000 0.789 209 D N -1.505 118.867 120.400 -0.047 0.000 2.363 209 D HA 0.132 4.778 4.640 0.010 0.000 0.226 209 D C 0.724 176.784 176.300 -0.399 0.000 1.020 209 D CA 0.250 54.198 54.000 -0.086 0.000 0.892 209 D CB -0.419 40.433 40.800 0.087 0.000 0.900 209 D HN 0.152 8.522 8.370 0.000 0.000 0.531 210 A N 1.240 123.779 122.820 -0.468 0.000 2.293 210 A HA 0.514 4.840 4.320 0.010 0.000 0.302 210 A C -2.344 174.960 177.584 -0.467 0.000 1.119 210 A CA -1.424 50.224 52.037 -0.649 0.000 0.823 210 A CB 0.435 19.179 19.000 -0.426 0.000 1.097 210 A HN -0.108 8.042 8.150 0.000 0.000 0.491 211 P HA 0.111 4.531 4.420 0.000 0.000 0.267 211 P C -0.293 176.846 177.300 -0.268 0.000 1.205 211 P CA 0.426 63.306 63.100 -0.367 0.000 0.765 211 P CB 0.183 31.721 31.700 -0.270 0.000 0.828 212 H N 0.045 119.142 119.070 0.046 0.000 2.457 212 H HA 0.054 4.616 4.556 0.009 0.000 0.294 212 H C 0.566 176.009 175.328 0.192 0.000 1.064 212 H CA 1.166 57.309 56.048 0.158 0.000 1.330 212 H CB 0.302 30.258 29.762 0.324 0.000 1.395 212 H HN 0.412 8.692 8.280 0.000 0.000 0.541 213 E N 0.304 120.653 120.200 0.248 0.000 2.275 213 E HA 0.277 4.633 4.350 0.010 0.000 0.270 213 E C -0.895 175.754 176.600 0.081 0.000 0.882 213 E CA -0.413 56.103 56.400 0.194 0.000 0.758 213 E CB 2.429 32.291 29.700 0.269 0.000 1.195 213 E HN -0.025 8.335 8.360 0.000 0.000 0.419 214 T N 3.286 117.893 114.554 0.087 0.000 2.809 214 T HA 0.454 4.810 4.350 0.010 0.000 0.296 214 T C 0.067 174.789 174.700 0.037 0.000 1.015 214 T CA -0.453 61.686 62.100 0.064 0.000 0.954 214 T CB 0.245 69.188 68.868 0.126 0.000 0.950 214 T HN 0.149 8.389 8.240 0.000 0.000 0.450 215 L N 4.047 125.273 121.223 0.005 0.000 2.282 215 L HA 0.556 4.902 4.340 0.010 0.000 0.288 215 L C -0.413 176.415 176.870 -0.070 0.000 1.033 215 L CA -1.131 53.702 54.840 -0.011 0.000 0.807 215 L CB 1.335 43.398 42.059 0.007 0.000 1.209 215 L HN 0.389 8.619 8.230 0.000 0.000 0.423 216 L N 5.029 126.198 121.223 -0.090 0.000 2.264 216 L HA 0.403 4.749 4.340 0.010 0.000 0.289 216 L C -0.287 176.483 176.870 -0.167 0.000 1.044 216 L CA -0.082 54.655 54.840 -0.171 0.000 0.807 216 L CB 1.484 43.456 42.059 -0.146 0.000 1.192 216 L HN 0.246 8.476 8.230 0.000 0.000 0.425 217 V N 7.165 126.953 119.914 -0.211 0.000 2.488 217 V HA 0.298 4.424 4.120 0.010 0.000 0.277 217 V C 0.421 176.415 176.094 -0.166 0.000 1.046 217 V CA 0.001 62.201 62.300 -0.165 0.000 0.986 217 V CB 0.718 32.444 31.823 -0.162 0.000 0.989 217 V HN 0.607 8.797 8.190 0.000 0.000 0.475 218 I N 3.850 124.354 120.570 -0.110 0.000 2.436 218 I HA 0.345 4.521 4.170 0.010 0.000 0.289 218 I C -0.453 175.635 176.117 -0.049 0.000 1.010 218 I CA -0.605 60.648 61.300 -0.079 0.000 1.098 218 I CB 2.005 39.963 38.000 -0.070 0.000 1.266 218 I HN 0.493 8.703 8.210 0.000 0.000 0.434 219 D N 5.214 125.595 120.400 -0.032 0.000 2.339 219 D HA 0.274 4.920 4.640 0.010 0.000 0.241 219 D C 0.930 177.234 176.300 0.006 0.000 1.183 219 D CA -0.094 53.900 54.000 -0.009 0.000 0.859 219 D CB 1.896 42.694 40.800 -0.004 0.000 1.067 219 D HN 0.672 9.042 8.370 0.000 0.000 0.484 220 A N 3.140 125.969 122.820 0.015 0.000 1.978 220 A HA -0.195 4.131 4.320 0.010 0.000 0.220 220 A C 2.007 179.617 177.584 0.043 0.000 1.170 220 A CA 2.163 54.219 52.037 0.032 0.000 0.636 220 A CB -0.821 18.207 19.000 0.047 0.000 0.810 220 A HN 0.689 8.839 8.150 0.000 0.000 0.448 221 T N -2.562 112.015 114.554 0.039 0.000 3.072 221 T HA -0.084 4.272 4.350 0.010 0.000 0.266 221 T C 1.505 176.231 174.700 0.043 0.000 1.127 221 T CA 1.797 63.924 62.100 0.046 0.000 1.107 221 T CB -0.930 67.962 68.868 0.039 0.000 0.910 221 T HN 0.625 8.865 8.240 0.000 0.000 0.513 222 T N -2.199 112.376 114.554 0.035 0.000 3.100 222 T HA 0.468 4.823 4.350 0.010 0.000 0.253 222 T C 1.665 176.386 174.700 0.035 0.000 1.118 222 T CA 0.430 62.550 62.100 0.033 0.000 1.058 222 T CB -0.736 68.148 68.868 0.027 0.000 0.953 222 T HN 0.880 9.120 8.240 0.000 0.000 0.515 223 G N 1.905 110.728 108.800 0.038 0.000 2.574 223 G HA2 -0.349 3.617 3.960 0.010 0.000 0.286 223 G HA3 -0.349 3.617 3.960 0.010 0.000 0.286 223 G C 0.702 175.619 174.900 0.028 0.000 1.212 223 G CA 0.410 45.533 45.100 0.039 0.000 0.979 223 G HN 0.359 8.649 8.290 0.000 0.000 0.557 224 Q N 0.119 119.934 119.800 0.025 0.000 2.181 224 Q HA -0.116 4.230 4.340 0.010 0.000 0.205 224 Q C 2.423 178.436 176.000 0.022 0.000 0.980 224 Q CA 2.016 57.831 55.803 0.020 0.000 0.862 224 Q CB -0.588 28.160 28.738 0.016 0.000 0.905 224 Q HN 0.701 8.971 8.270 0.000 0.000 0.429 225 N N 0.334 119.049 118.700 0.025 0.000 2.120 225 N HA -0.119 4.626 4.740 0.010 0.000 0.188 225 N C 1.809 177.339 175.510 0.034 0.000 1.024 225 N CA 1.693 54.759 53.050 0.028 0.000 0.852 225 N CB -0.505 38.000 38.487 0.029 0.000 1.003 225 N HN 0.231 8.611 8.380 0.000 0.000 0.424 226 G N 0.119 108.938 108.800 0.031 0.000 2.432 226 G HA2 -0.181 3.785 3.960 0.010 0.000 0.219 226 G HA3 -0.181 3.785 3.960 0.010 0.000 0.219 226 G C 1.382 176.301 174.900 0.033 0.000 1.135 226 G CA 0.794 45.913 45.100 0.032 0.000 0.767 226 G HN 0.349 8.639 8.290 0.000 0.000 0.550 227 L N 0.820 122.057 121.223 0.023 0.000 2.072 227 L HA 0.087 4.433 4.340 0.010 0.000 0.205 227 L C 2.927 179.814 176.870 0.028 0.000 1.079 227 L CA 1.196 56.047 54.840 0.018 0.000 0.752 227 L CB -0.588 41.477 42.059 0.009 0.000 0.906 227 L HN 0.074 8.304 8.230 0.000 0.000 0.436 228 V N -0.253 119.677 119.914 0.027 0.000 2.287 228 V HA -0.376 3.750 4.120 0.010 0.000 0.248 228 V C 2.589 178.709 176.094 0.042 0.000 1.053 228 V CA 2.152 64.468 62.300 0.026 0.000 1.027 228 V CB -0.767 31.068 31.823 0.020 0.000 0.646 228 V HN 0.554 8.744 8.190 0.000 0.000 0.447 229 Q N -0.359 119.482 119.800 0.068 0.000 2.096 229 Q HA -0.204 4.142 4.340 0.010 0.000 0.204 229 Q C 2.445 178.568 176.000 0.205 0.000 0.982 229 Q CA 1.802 57.678 55.803 0.123 0.000 0.850 229 Q CB -0.474 28.362 28.738 0.164 0.000 0.901 229 Q HN 0.687 8.957 8.270 0.000 0.000 0.422 230 A N 1.528 124.448 122.820 0.168 0.000 1.948 230 A HA -0.265 4.061 4.320 0.010 0.000 0.220 230 A C 1.874 179.548 177.584 0.150 0.000 1.177 230 A CA 1.753 53.898 52.037 0.181 0.000 0.636 230 A CB -0.401 18.634 19.000 0.059 0.000 0.815 230 A HN 0.237 8.387 8.150 0.000 0.000 0.449 231 K N -0.542 119.901 120.400 0.071 0.000 2.211 231 K HA -0.060 4.266 4.320 0.010 0.000 0.204 231 K C 1.677 178.280 176.600 0.005 0.000 1.047 231 K CA 1.366 57.671 56.287 0.029 0.000 0.935 231 K CB -0.361 32.144 32.500 0.008 0.000 0.728 231 K HN 0.574 8.824 8.250 0.000 0.000 0.452 232 I N -0.032 120.526 120.570 -0.020 0.000 2.226 232 I HA -0.260 3.916 4.170 0.010 0.000 0.245 232 I C 1.753 177.730 176.117 -0.233 0.000 1.100 232 I CA 1.369 62.575 61.300 -0.157 0.000 1.374 232 I CB -0.164 37.678 38.000 -0.263 0.000 1.057 232 I HN 0.049 8.259 8.210 0.000 0.000 0.413 233 F N 0.848 120.783 119.950 -0.025 0.000 2.293 233 F HA -0.083 4.450 4.527 0.011 0.000 0.297 233 F C 2.442 178.219 175.800 -0.038 0.000 1.089 233 F CA 1.088 59.071 58.000 -0.028 0.000 1.377 233 F CB -0.390 38.595 39.000 -0.025 0.000 1.051 233 F HN -0.157 8.143 8.300 0.000 0.000 0.511 234 K N 0.345 120.813 120.400 0.113 0.000 2.103 234 K HA -0.197 4.129 4.320 0.010 0.000 0.207 234 K C 1.891 178.485 176.600 -0.009 0.000 1.048 234 K CA 1.582 57.890 56.287 0.034 0.000 0.930 234 K CB -0.180 32.329 32.500 0.015 0.000 0.716 234 K HN 0.354 8.604 8.250 0.000 0.000 0.444 235 E N -0.045 120.136 120.200 -0.032 0.000 2.106 235 E HA -0.158 4.198 4.350 0.010 0.000 0.192 235 E C 1.977 178.537 176.600 -0.067 0.000 0.984 235 E CA 0.895 57.263 56.400 -0.054 0.000 0.806 235 E CB -0.004 29.655 29.700 -0.068 0.000 0.750 235 E HN 0.306 8.666 8.360 0.000 0.000 0.458 236 A N 1.453 124.228 122.820 -0.075 0.000 1.854 236 A HA -0.019 4.307 4.320 0.010 0.000 0.214 236 A C 1.406 178.944 177.584 -0.077 0.000 1.192 236 A CA 1.477 53.467 52.037 -0.078 0.000 0.611 236 A CB -0.187 18.761 19.000 -0.086 0.000 0.832 236 A HN 0.158 8.308 8.150 0.000 0.000 0.442 237 V N -3.832 116.044 119.914 -0.063 0.000 3.181 237 V HA 0.553 4.679 4.120 0.010 0.000 0.308 237 V C -0.686 175.340 176.094 -0.112 0.000 1.214 237 V CA -0.967 61.237 62.300 -0.160 0.000 1.053 237 V CB 1.483 33.208 31.823 -0.163 0.000 1.069 237 V HN 0.257 8.447 8.190 0.000 0.000 0.441 238 N N 1.305 119.899 118.700 -0.176 0.000 2.421 238 N HA 0.280 5.026 4.740 0.010 0.000 0.260 238 N C -0.512 175.004 175.510 0.010 0.000 1.173 238 N CA 0.052 53.066 53.050 -0.060 0.000 0.960 238 N CB 0.243 38.705 38.487 -0.040 0.000 1.273 238 N HN 0.691 9.071 8.380 0.000 0.000 0.497 239 V N 3.044 122.965 119.914 0.012 0.000 2.488 239 V HA 0.133 4.259 4.120 0.010 0.000 0.277 239 V C 1.539 177.638 176.094 0.007 0.000 1.046 239 V CA 0.148 62.460 62.300 0.021 0.000 0.986 239 V CB 0.927 32.758 31.823 0.013 0.000 0.989 239 V HN 0.868 9.058 8.190 0.000 0.000 0.475 240 T N 0.397 114.963 114.554 0.021 0.000 2.985 240 T HA 0.461 4.817 4.350 0.010 0.000 0.254 240 T C 0.586 175.277 174.700 -0.015 0.000 1.021 240 T CA 0.410 62.520 62.100 0.016 0.000 0.957 240 T CB 0.565 69.471 68.868 0.064 0.000 1.047 240 T HN 1.024 9.264 8.240 0.000 0.000 0.511 241 G N 0.839 109.623 108.800 -0.027 0.000 2.632 241 G HA2 0.548 4.514 3.960 0.010 0.000 0.292 241 G HA3 0.548 4.514 3.960 0.010 0.000 0.292 241 G C -1.839 173.017 174.900 -0.074 0.000 1.465 241 G CA -0.880 44.177 45.100 -0.071 0.000 0.824 241 G HN 0.163 8.453 8.290 0.000 0.000 0.509 242 I N 0.702 121.193 120.570 -0.132 0.000 2.460 242 I HA 0.478 4.654 4.170 0.010 0.000 0.298 242 I C -0.087 176.002 176.117 -0.047 0.000 0.989 242 I CA -1.025 60.203 61.300 -0.121 0.000 1.173 242 I CB 1.556 39.432 38.000 -0.206 0.000 1.338 242 I HN 0.321 8.531 8.210 0.000 0.000 0.456 243 I N 6.071 126.629 120.570 -0.020 0.000 2.328 243 I HA 0.211 4.387 4.170 0.010 0.000 0.287 243 I C -0.509 175.592 176.117 -0.027 0.000 1.012 243 I CA -0.698 60.621 61.300 0.032 0.000 1.195 243 I CB 1.550 39.548 38.000 -0.002 0.000 1.350 243 I HN 0.252 8.462 8.210 0.000 0.000 0.464 244 L N 8.354 129.564 121.223 -0.021 0.000 2.259 244 L HA 0.414 4.760 4.340 0.010 0.000 0.288 244 L C 0.523 177.404 176.870 0.018 0.000 1.051 244 L CA 0.144 54.962 54.840 -0.037 0.000 0.824 244 L CB 0.770 42.776 42.059 -0.089 0.000 1.206 244 L HN 0.670 8.900 8.230 0.000 0.000 0.429 245 T N 0.775 115.332 114.554 0.006 0.000 2.902 245 T HA 0.445 4.801 4.350 0.010 0.000 0.280 245 T C 0.393 175.108 174.700 0.025 0.000 0.992 245 T CA -0.572 61.540 62.100 0.020 0.000 1.015 245 T CB 0.950 69.816 68.868 -0.003 0.000 1.044 245 T HN 0.613 8.853 8.240 0.000 0.000 0.520 246 K N -0.287 120.130 120.400 0.029 0.000 3.160 246 K HA -0.158 4.168 4.320 0.010 0.000 0.280 246 K C 0.767 177.382 176.600 0.026 0.000 1.154 246 K CA 0.429 56.731 56.287 0.024 0.000 0.822 246 K CB -1.630 30.884 32.500 0.024 0.000 1.239 246 K HN 0.493 8.743 8.250 0.000 0.000 0.489 247 L N 2.167 123.406 121.223 0.027 0.000 2.043 247 L HA -0.217 4.129 4.340 0.010 0.000 0.212 247 L C 2.177 179.058 176.870 0.018 0.000 1.075 247 L CA 2.633 57.496 54.840 0.039 0.000 0.752 247 L CB -0.282 41.807 42.059 0.049 0.000 0.891 247 L HN 0.412 8.642 8.230 0.000 0.000 0.432 248 D N -2.001 118.388 120.400 -0.018 0.000 2.350 248 D HA -0.087 4.559 4.640 0.010 0.000 0.216 248 D C 1.940 178.241 176.300 0.003 0.000 0.968 248 D CA 0.987 54.973 54.000 -0.024 0.000 0.894 248 D CB -0.615 40.153 40.800 -0.053 0.000 0.909 248 D HN 0.431 8.801 8.370 0.000 0.000 0.520 249 G N -0.668 108.142 108.800 0.017 0.000 2.623 249 G HA2 -0.001 3.965 3.960 0.010 0.000 0.214 249 G HA3 -0.001 3.965 3.960 0.010 0.000 0.214 249 G C 0.598 175.518 174.900 0.034 0.000 1.138 249 G CA 0.581 45.695 45.100 0.023 0.000 0.794 249 G HN 0.454 8.744 8.290 0.000 0.000 0.535 250 T N -1.945 112.638 114.554 0.048 0.000 2.896 250 T HA 0.545 4.900 4.350 0.010 0.000 0.297 250 T C 0.617 175.376 174.700 0.097 0.000 1.108 250 T CA 0.235 62.378 62.100 0.073 0.000 1.004 250 T CB 1.689 70.608 68.868 0.085 0.000 1.159 250 T HN 0.134 8.374 8.240 0.000 0.000 0.499 251 A N 2.193 125.093 122.820 0.132 0.000 2.259 251 A HA 0.257 4.583 4.320 0.010 0.000 0.208 251 A C 1.282 179.085 177.584 0.366 0.000 1.201 251 A CA 0.276 52.439 52.037 0.211 0.000 0.824 251 A CB -0.441 18.627 19.000 0.114 0.000 0.838 251 A HN 0.786 8.936 8.150 0.000 0.000 0.485 252 K N 0.048 120.600 120.400 0.252 0.000 2.627 252 K HA 0.116 4.442 4.320 0.010 0.000 0.212 252 K C 1.510 178.221 176.600 0.185 0.000 1.041 252 K CA 0.279 56.695 56.287 0.214 0.000 1.205 252 K CB 0.021 32.605 32.500 0.140 0.000 0.936 252 K HN 0.383 8.633 8.250 0.000 0.000 0.489 253 G N 0.866 109.791 108.800 0.209 0.000 2.498 253 G HA2 -0.207 3.759 3.960 0.010 0.000 0.219 253 G HA3 -0.207 3.759 3.960 0.010 0.000 0.219 253 G C 1.401 176.424 174.900 0.204 0.000 1.119 253 G CA 0.636 45.848 45.100 0.187 0.000 0.766 253 G HN 0.455 8.745 8.290 0.000 0.000 0.552 254 G N 1.061 110.001 108.800 0.234 0.000 2.479 254 G HA2 -0.213 3.753 3.960 0.010 0.000 0.220 254 G HA3 -0.213 3.753 3.960 0.010 0.000 0.220 254 G C 1.609 176.605 174.900 0.160 0.000 1.115 254 G CA 0.736 45.985 45.100 0.250 0.000 0.757 254 G HN 0.422 8.712 8.290 0.000 0.000 0.560 255 I N 1.361 122.001 120.570 0.117 0.000 2.530 255 I HA -0.139 4.037 4.170 0.010 0.000 0.257 255 I C 2.728 178.869 176.117 0.040 0.000 1.179 255 I CA 1.535 62.875 61.300 0.067 0.000 1.440 255 I CB -0.204 37.827 38.000 0.051 0.000 1.087 255 I HN 0.098 8.308 8.210 0.000 0.000 0.440 256 T N 0.571 115.154 114.554 0.048 0.000 2.720 256 T HA -0.189 4.167 4.350 0.010 0.000 0.268 256 T C 1.713 176.396 174.700 -0.028 0.000 1.037 256 T CA 1.807 63.879 62.100 -0.046 0.000 1.144 256 T CB -0.302 68.507 68.868 -0.099 0.000 0.864 256 T HN 0.208 8.448 8.240 0.000 0.000 0.444 257 L N 1.160 122.417 121.223 0.056 0.000 2.056 257 L HA 0.100 4.445 4.340 0.010 0.000 0.207 257 L C 2.877 179.783 176.870 0.059 0.000 1.078 257 L CA 1.559 56.449 54.840 0.084 0.000 0.749 257 L CB -1.249 40.898 42.059 0.146 0.000 0.901 257 L HN 0.211 8.441 8.230 0.000 0.000 0.433 258 A N -0.222 122.628 122.820 0.050 0.000 1.877 258 A HA -0.181 4.145 4.320 0.010 0.000 0.216 258 A C 2.359 179.944 177.584 0.002 0.000 1.186 258 A CA 1.817 53.872 52.037 0.030 0.000 0.620 258 A CB -0.798 18.219 19.000 0.028 0.000 0.822 258 A HN 0.352 8.502 8.150 0.000 0.000 0.443 259 I N -0.313 120.247 120.570 -0.017 0.000 2.127 259 I HA -0.310 3.866 4.170 0.010 0.000 0.241 259 I C 3.038 179.117 176.117 -0.064 0.000 1.075 259 I CA 1.170 62.438 61.300 -0.054 0.000 1.334 259 I CB -0.434 37.513 38.000 -0.088 0.000 1.040 259 I HN 0.372 8.582 8.210 0.000 0.000 0.405 260 A N 0.720 123.516 122.820 -0.040 0.000 1.865 260 A HA -0.290 4.036 4.320 0.010 0.000 0.217 260 A C 2.411 180.006 177.584 0.018 0.000 1.191 260 A CA 2.354 54.401 52.037 0.017 0.000 0.623 260 A CB -0.690 18.434 19.000 0.206 0.000 0.826 260 A HN 0.405 8.555 8.150 0.000 0.000 0.444 261 R N -0.467 120.041 120.500 0.013 0.000 2.075 261 R HA -0.038 4.308 4.340 0.010 0.000 0.226 261 R C 2.041 178.315 176.300 -0.043 0.000 1.114 261 R CA 1.384 57.465 56.100 -0.030 0.000 0.972 261 R CB -0.266 30.003 30.300 -0.051 0.000 0.869 261 R HN 0.630 8.900 8.270 0.000 0.000 0.437 262 E N 0.171 120.354 120.200 -0.029 0.000 2.106 262 E HA -0.148 4.208 4.350 0.010 0.000 0.192 262 E C 1.818 178.397 176.600 -0.034 0.000 0.984 262 E CA 1.216 57.600 56.400 -0.028 0.000 0.806 262 E CB 0.126 29.817 29.700 -0.015 0.000 0.750 262 E HN 0.402 8.762 8.360 0.000 0.000 0.458 263 L N -1.354 119.842 121.223 -0.045 0.000 2.470 263 L HA 0.216 4.562 4.340 0.010 0.000 0.219 263 L C 1.563 178.395 176.870 -0.063 0.000 1.071 263 L CA 0.445 55.254 54.840 -0.052 0.000 0.850 263 L CB 0.211 42.233 42.059 -0.062 0.000 1.040 263 L HN 0.268 8.498 8.230 0.000 0.000 0.475 264 G N 1.392 110.149 108.800 -0.071 0.000 2.148 264 G HA2 -0.276 3.690 3.960 0.010 0.000 0.254 264 G HA3 -0.276 3.690 3.960 0.010 0.000 0.254 264 G C 0.104 174.937 174.900 -0.112 0.000 0.981 264 G CA 0.042 45.102 45.100 -0.065 0.000 0.670 264 G HN 0.274 8.564 8.290 0.000 0.000 0.528 265 I N 1.302 121.762 120.570 -0.183 0.000 2.412 265 I HA 0.356 4.532 4.170 0.010 0.000 0.296 265 I C -2.016 173.797 176.117 -0.507 0.000 0.987 265 I CA -2.707 58.448 61.300 -0.242 0.000 1.180 265 I CB 1.872 39.766 38.000 -0.177 0.000 1.340 265 I HN -0.183 8.027 8.210 0.000 0.000 0.455 266 P HA 0.097 4.517 4.420 0.000 0.000 0.264 266 P C -0.575 176.182 177.300 -0.905 0.000 1.193 266 P CA 0.167 62.607 63.100 -1.100 0.000 0.763 266 P CB 0.275 31.710 31.700 -0.441 0.000 0.810 267 I N 4.094 123.952 120.570 -1.187 0.000 2.363 267 I HA 0.067 4.243 4.170 0.010 0.000 0.292 267 I C 1.479 177.427 176.117 -0.281 0.000 1.075 267 I CA 0.196 61.133 61.300 -0.606 0.000 1.333 267 I CB 0.422 37.935 38.000 -0.810 0.000 1.415 267 I HN 0.313 8.523 8.210 0.000 0.000 0.502 268 K N 5.196 125.480 120.400 -0.192 0.000 2.334 268 K HA 0.255 4.581 4.320 0.010 0.000 0.195 268 K C -0.402 175.887 176.600 -0.519 0.000 1.045 268 K CA 0.680 56.819 56.287 -0.246 0.000 1.004 268 K CB 0.490 32.874 32.500 -0.192 0.000 0.837 268 K HN 0.314 8.565 8.250 0.000 0.000 0.510 269 F N 0.816 120.783 119.950 0.029 0.000 2.601 269 F HA 0.436 4.968 4.527 0.009 0.000 0.309 269 F C -0.429 175.415 175.800 0.072 0.000 1.089 269 F CA -1.422 56.619 58.000 0.068 0.000 0.940 269 F CB 1.606 40.612 39.000 0.011 0.000 1.273 269 F HN -0.206 8.094 8.300 0.000 0.000 0.450 270 I N -0.193 120.593 120.570 0.360 0.000 2.689 270 I HA 0.991 5.167 4.170 0.010 0.000 0.299 270 I C -0.454 175.883 176.117 0.367 0.000 1.059 270 I CA -0.873 60.617 61.300 0.316 0.000 1.055 270 I CB 2.145 40.382 38.000 0.396 0.000 1.243 270 I HN 0.640 8.850 8.210 0.000 0.000 0.425 271 G N 4.069 113.008 108.800 0.232 0.000 2.415 271 G HA2 0.638 4.604 3.960 0.010 0.000 0.327 271 G HA3 0.638 4.604 3.960 0.010 0.000 0.327 271 G C -1.278 173.678 174.900 0.094 0.000 1.182 271 G CA -0.664 44.561 45.100 0.209 0.000 0.924 271 G HN 0.495 8.785 8.290 0.000 0.000 0.470 272 V N 1.884 121.825 119.914 0.045 0.000 2.525 272 V HA 0.805 4.931 4.120 0.010 0.000 0.299 272 V C 0.829 176.916 176.094 -0.011 0.000 1.034 272 V CA 0.652 62.868 62.300 -0.140 0.000 0.863 272 V CB 0.763 32.246 31.823 -0.566 0.000 0.999 272 V HN 1.789 9.979 8.190 0.000 0.000 0.423 273 G N 4.119 112.919 108.800 0.001 0.000 2.806 273 G HA2 0.021 3.987 3.960 0.010 0.000 0.236 273 G HA3 0.021 3.987 3.960 0.010 0.000 0.236 273 G C 0.496 175.440 174.900 0.074 0.000 1.387 273 G CA 0.843 45.965 45.100 0.035 0.000 0.884 273 G HN 1.242 9.532 8.290 0.000 0.000 0.560 274 E N -0.744 119.504 120.200 0.081 0.000 2.250 274 E HA 0.543 4.899 4.350 0.010 0.000 0.192 274 E C 1.741 178.425 176.600 0.140 0.000 0.986 274 E CA 2.159 58.623 56.400 0.106 0.000 0.849 274 E CB -0.648 29.104 29.700 0.087 0.000 0.797 274 E HN 2.025 10.385 8.360 0.000 0.000 0.482 275 K N 0.340 120.815 120.400 0.126 0.000 2.469 275 K HA 0.597 4.923 4.320 0.010 0.000 0.274 275 K C 1.586 178.287 176.600 0.169 0.000 0.983 275 K CA 0.298 56.666 56.287 0.134 0.000 0.974 275 K CB 0.060 32.627 32.500 0.113 0.000 0.913 275 K HN 0.744 8.994 8.250 0.000 0.000 0.493 276 A N 1.155 124.089 122.820 0.190 0.000 1.972 276 A HA -0.096 4.230 4.320 0.010 0.000 0.219 276 A C 1.914 179.564 177.584 0.110 0.000 1.169 276 A CA 2.027 54.192 52.037 0.213 0.000 0.635 276 A CB -0.251 18.910 19.000 0.267 0.000 0.810 276 A HN 0.903 9.053 8.150 0.000 0.000 0.446 277 E N 0.476 120.733 120.200 0.095 0.000 2.418 277 E HA -0.050 4.306 4.350 0.010 0.000 0.197 277 E C 0.551 177.197 176.600 0.076 0.000 1.026 277 E CA 0.736 57.168 56.400 0.052 0.000 0.862 277 E CB -0.088 29.640 29.700 0.047 0.000 0.799 277 E HN 0.502 8.862 8.360 0.000 0.000 0.518 278 D N -0.205 120.298 120.400 0.172 0.000 2.349 278 D HA 0.012 4.658 4.640 0.010 0.000 0.224 278 D C -0.289 176.235 176.300 0.374 0.000 1.029 278 D CA 0.101 54.320 54.000 0.365 0.000 0.879 278 D CB 0.139 41.112 40.800 0.288 0.000 0.906 278 D HN 0.102 8.472 8.370 0.000 0.000 0.528 279 L N 1.350 122.667 121.223 0.157 0.000 2.257 279 L HA 0.325 4.671 4.340 0.010 0.000 0.290 279 L C -0.272 176.637 176.870 0.063 0.000 1.044 279 L CA -0.105 54.810 54.840 0.125 0.000 0.810 279 L CB 0.479 42.526 42.059 -0.021 0.000 1.193 279 L HN -0.269 7.961 8.230 0.000 0.000 0.425 280 R N 4.567 125.143 120.500 0.126 0.000 2.795 280 R HA 0.532 4.878 4.340 0.010 0.000 0.275 280 R C -2.640 173.761 176.300 0.169 0.000 0.981 280 R CA -2.080 54.013 56.100 -0.012 0.000 0.917 280 R CB 1.588 31.561 30.300 -0.546 0.000 1.202 280 R HN 0.355 8.625 8.270 0.000 0.000 0.469 281 P HA -0.071 4.349 4.420 0.000 0.000 0.265 281 P C -0.743 176.531 177.300 -0.045 0.000 1.193 281 P CA 0.103 63.089 63.100 -0.191 0.000 0.765 281 P CB 0.259 31.840 31.700 -0.199 0.000 0.823 282 F N 3.365 123.198 119.950 -0.195 0.000 2.456 282 F HA 0.210 4.735 4.527 -0.003 0.000 0.358 282 F C 0.442 176.205 175.800 -0.062 0.000 1.095 282 F CA -0.003 57.960 58.000 -0.061 0.000 1.216 282 F CB 0.346 39.326 39.000 -0.034 0.000 1.125 282 F HN 0.174 8.474 8.300 0.000 0.000 0.549 283 D N 8.663 128.667 120.400 -0.661 0.000 2.446 283 D HA 0.296 4.942 4.640 0.010 0.000 0.251 283 D C -2.110 173.736 176.300 -0.757 0.000 1.137 283 D CA -2.196 51.486 54.000 -0.528 0.000 0.890 283 D CB 1.744 42.345 40.800 -0.331 0.000 1.071 283 D HN 0.220 8.590 8.370 0.000 0.000 0.528 284 P HA -0.130 4.290 4.420 0.000 0.000 0.215 284 P C 1.218 178.389 177.300 -0.216 0.000 1.157 284 P CA 0.956 63.723 63.100 -0.556 0.000 0.874 284 P CB 0.543 32.020 31.700 -0.372 0.000 0.790 285 E N -0.625 119.478 120.200 -0.163 0.000 2.077 285 E HA -0.146 4.210 4.350 0.010 0.000 0.193 285 E C 2.051 178.655 176.600 0.006 0.000 0.989 285 E CA 1.472 57.841 56.400 -0.052 0.000 0.800 285 E CB -0.624 29.053 29.700 -0.039 0.000 0.746 285 E HN 0.154 8.514 8.360 0.000 0.000 0.452 286 A N 0.962 123.752 122.820 -0.050 0.000 1.898 286 A HA -0.160 4.166 4.320 0.010 0.000 0.216 286 A C 2.033 179.651 177.584 0.058 0.000 1.181 286 A CA 0.999 53.042 52.037 0.011 0.000 0.620 286 A CB -0.844 17.955 19.000 -0.334 0.000 0.819 286 A HN 0.277 8.427 8.150 0.000 0.000 0.442 287 F N 0.948 120.798 119.950 -0.166 0.000 2.065 287 F HA -0.245 4.353 4.527 0.119 0.000 0.298 287 F C 2.230 178.006 175.800 -0.041 0.000 1.112 287 F CA 2.370 60.309 58.000 -0.102 0.000 1.212 287 F CB -0.257 38.643 39.000 -0.167 0.000 0.975 287 F HN 0.048 8.348 8.300 0.000 0.000 0.476 288 V N 0.331 120.344 119.914 0.165 0.000 2.358 288 V HA -0.250 3.876 4.120 0.010 0.000 0.246 288 V C 2.455 178.546 176.094 -0.004 0.000 1.047 288 V CA 2.086 64.431 62.300 0.076 0.000 1.035 288 V CB -0.764 31.131 31.823 0.119 0.000 0.658 288 V HN 0.389 8.579 8.190 0.000 0.000 0.452 289 E N 0.531 120.755 120.200 0.040 0.000 2.058 289 E HA -0.199 4.157 4.350 0.010 0.000 0.194 289 E C 2.212 178.817 176.600 0.009 0.000 0.997 289 E CA 1.762 58.189 56.400 0.046 0.000 0.801 289 E CB -0.128 29.645 29.700 0.122 0.000 0.746 289 E HN 0.439 8.799 8.360 0.000 0.000 0.450 290 V N 1.409 121.325 119.914 0.002 0.000 2.307 290 V HA -0.244 3.882 4.120 0.010 0.000 0.245 290 V C 2.696 178.706 176.094 -0.140 0.000 1.045 290 V CA 1.515 63.790 62.300 -0.043 0.000 1.024 290 V CB -0.609 31.199 31.823 -0.025 0.000 0.651 290 V HN 0.241 8.431 8.190 0.000 0.000 0.449 291 L N -0.376 120.675 121.223 -0.287 0.000 2.043 291 L HA -0.159 4.187 4.340 0.010 0.000 0.212 291 L C 1.815 178.616 176.870 -0.115 0.000 1.075 291 L CA 2.105 56.736 54.840 -0.348 0.000 0.752 291 L CB -0.277 41.437 42.059 -0.576 0.000 0.891 291 L HN 0.255 8.485 8.230 0.000 0.000 0.432 292 L N -1.248 119.946 121.223 -0.049 0.000 2.769 292 L HA 0.216 4.562 4.340 0.010 0.000 0.240 292 L C 0.756 177.642 176.870 0.027 0.000 1.163 292 L CA -0.412 54.452 54.840 0.039 0.000 0.962 292 L CB 0.019 42.113 42.059 0.059 0.000 1.258 292 L HN -0.011 8.219 8.230 0.000 0.000 0.513 293 S N 0.604 116.304 115.700 0.001 0.000 2.560 293 S HA 0.083 4.559 4.470 0.010 0.000 0.284 293 S C 0.532 175.137 174.600 0.008 0.000 1.327 293 S CA -0.153 58.044 58.200 -0.005 0.000 1.055 293 S CB 0.823 64.011 63.200 -0.020 0.000 0.868 293 S HN 0.240 8.550 8.310 0.000 0.000 0.506 294 E N 0.000 120.202 120.200 0.003 0.000 2.725 294 E HA 0.000 4.356 4.350 0.010 0.000 0.291 294 E CA 0.000 56.404 56.400 0.007 0.000 0.976 294 E CB 0.000 29.701 29.700 0.001 0.000 0.812 294 E HN 0.000 8.360 8.360 0.000 0.000 0.440