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 3g7n_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATADAAAFPD LHRAAKLSSA AYTGcIGKAF DVTIVKRIYD LVTDTNGFVG DATA SEQUENCE YSTEKKTIAV IMRGSTTITX XXXDIDIALI TPELSGVTFP SDVKIMRGVH DATA SEQUENCE RPWSAVHDTI ITEVKALIAK YPDYTLEAVG HSLGGALTSI AHVALAQNFP DATA SEQUENCE DKSLVSNALN AFPIGNQAWA DFGTAQAGTF NRGNNVLDGV PNMYSSPLVN DATA SEQUENCE FKHYGTEYYS SGTEASTVKc EGQRDKScSA GNGMYAVTPG HIASFGVVML DATA SEQUENCE TAGcGYLS 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 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.579 177.584 -0.009 0.000 1.274 1 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 1 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 2 T N -0.863 113.692 114.554 0.003 0.000 2.916 2 T HA 0.826 5.178 4.350 0.003 0.000 0.305 2 T C 0.139 174.866 174.700 0.045 0.000 1.119 2 T CA 0.024 62.135 62.100 0.019 0.000 1.008 2 T CB 1.422 70.296 68.868 0.011 0.000 1.129 2 T HN 2.345 10.585 8.240 -0.000 0.000 0.480 3 A N 1.617 124.465 122.820 0.046 0.000 2.567 3 A HA 0.417 4.740 4.320 0.003 0.000 0.240 3 A C 0.360 177.990 177.584 0.077 0.000 1.053 3 A CA 0.128 52.202 52.037 0.061 0.000 0.755 3 A CB -0.368 18.656 19.000 0.039 0.000 0.978 3 A HN 0.878 9.028 8.150 -0.000 0.000 0.507 4 D N 1.576 122.043 120.400 0.112 0.000 2.968 4 D HA 0.415 5.058 4.640 0.003 0.000 0.301 4 D C 0.945 177.321 176.300 0.126 0.000 1.226 4 D CA 0.324 54.402 54.000 0.130 0.000 0.746 4 D CB 0.208 41.131 40.800 0.206 0.000 1.278 4 D HN 0.497 8.867 8.370 -0.000 0.000 0.544 5 A N 0.871 123.741 122.820 0.082 0.000 1.986 5 A HA -0.058 4.264 4.320 0.003 0.000 0.220 5 A C 2.196 179.827 177.584 0.079 0.000 1.171 5 A CA 1.907 53.984 52.037 0.067 0.000 0.640 5 A CB -0.299 18.707 19.000 0.009 0.000 0.811 5 A HN 0.466 8.616 8.150 -0.000 0.000 0.451 6 A N -0.429 122.421 122.820 0.051 0.000 2.070 6 A HA 0.199 4.521 4.320 0.003 0.000 0.220 6 A C 2.313 179.892 177.584 -0.008 0.000 1.159 6 A CA 1.736 53.788 52.037 0.025 0.000 0.656 6 A CB -0.704 18.304 19.000 0.013 0.000 0.800 6 A HN 1.060 9.210 8.150 -0.000 0.000 0.453 7 A N -1.518 121.287 122.820 -0.025 0.000 2.066 7 A HA 0.101 4.423 4.320 0.003 0.000 0.218 7 A C 1.846 179.303 177.584 -0.211 0.000 1.157 7 A CA 1.078 52.990 52.037 -0.208 0.000 0.670 7 A CB -0.615 18.165 19.000 -0.366 0.000 0.804 7 A HN 0.641 8.791 8.150 -0.000 0.000 0.453 8 F N 1.524 121.381 119.950 -0.156 0.000 2.134 8 F HA -0.035 4.493 4.527 0.002 0.000 0.299 8 F C -0.790 174.937 175.800 -0.122 0.000 1.097 8 F CA 1.735 59.669 58.000 -0.109 0.000 1.264 8 F CB -0.806 38.193 39.000 -0.002 0.000 1.001 8 F HN 0.159 8.459 8.300 -0.000 0.000 0.479 9 P HA -0.135 4.285 4.420 -0.000 0.000 0.216 9 P C 1.017 178.191 177.300 -0.209 0.000 1.150 9 P CA 1.869 64.923 63.100 -0.077 0.000 0.837 9 P CB -0.040 31.661 31.700 0.003 0.000 0.786 10 D N -1.152 119.098 120.400 -0.251 0.000 2.183 10 D HA -0.046 4.596 4.640 0.003 0.000 0.203 10 D C 1.958 178.023 176.300 -0.390 0.000 0.969 10 D CA 0.905 54.738 54.000 -0.278 0.000 0.842 10 D CB -0.553 40.091 40.800 -0.259 0.000 0.957 10 D HN 0.174 8.544 8.370 -0.000 0.000 0.484 11 L N -0.278 120.598 121.223 -0.579 0.000 2.179 11 L HA -0.107 4.235 4.340 0.003 0.000 0.208 11 L C 2.331 178.847 176.870 -0.591 0.000 1.096 11 L CA 0.706 55.074 54.840 -0.786 0.000 0.779 11 L CB -0.295 40.853 42.059 -1.518 0.000 0.922 11 L HN 0.082 8.312 8.230 -0.000 0.000 0.443 12 H N 0.440 119.071 119.070 -0.732 0.000 2.353 12 H HA -0.201 4.356 4.556 0.002 0.000 0.300 12 H C 2.439 177.538 175.328 -0.381 0.000 1.090 12 H CA 1.921 57.623 56.048 -0.575 0.000 1.327 12 H CB 0.096 29.386 29.762 -0.787 0.000 1.383 12 H HN 0.076 8.356 8.280 -0.000 0.000 0.508 13 R N 0.063 120.348 120.500 -0.358 0.000 2.083 13 R HA -0.131 4.211 4.340 0.003 0.000 0.237 13 R C 2.382 178.482 176.300 -0.333 0.000 1.137 13 R CA 1.349 57.228 56.100 -0.368 0.000 0.951 13 R CB -0.505 29.650 30.300 -0.241 0.000 0.851 13 R HN 0.403 8.673 8.270 -0.000 0.000 0.434 14 A N 0.722 123.376 122.820 -0.278 0.000 1.908 14 A HA -0.134 4.188 4.320 0.003 0.000 0.218 14 A C 2.365 179.850 177.584 -0.165 0.000 1.181 14 A CA 1.805 53.724 52.037 -0.197 0.000 0.627 14 A CB -0.789 18.089 19.000 -0.204 0.000 0.818 14 A HN 0.578 8.728 8.150 -0.000 0.000 0.445 15 A N -0.351 122.348 122.820 -0.202 0.000 1.930 15 A HA -0.110 4.212 4.320 0.003 0.000 0.217 15 A C 2.082 179.535 177.584 -0.219 0.000 1.175 15 A CA 1.725 53.672 52.037 -0.149 0.000 0.627 15 A CB -0.368 18.572 19.000 -0.100 0.000 0.815 15 A HN 0.554 8.704 8.150 -0.000 0.000 0.443 16 K N -0.199 119.957 120.400 -0.408 0.000 2.057 16 K HA -0.032 4.290 4.320 0.003 0.000 0.207 16 K C 1.805 178.287 176.600 -0.196 0.000 1.049 16 K CA 1.409 57.394 56.287 -0.503 0.000 0.931 16 K CB -0.394 31.418 32.500 -1.147 0.000 0.714 16 K HN 0.450 8.700 8.250 -0.000 0.000 0.440 17 L N 0.655 121.792 121.223 -0.142 0.000 2.046 17 L HA -0.199 4.143 4.340 0.003 0.000 0.208 17 L C 2.385 179.305 176.870 0.083 0.000 1.077 17 L CA 1.083 55.965 54.840 0.069 0.000 0.747 17 L CB -0.433 41.647 42.059 0.034 0.000 0.896 17 L HN 0.127 8.357 8.230 -0.000 0.000 0.432 18 S N -0.831 114.879 115.700 0.017 0.000 2.368 18 S HA -0.208 4.264 4.470 0.003 0.000 0.225 18 S C 2.212 176.862 174.600 0.082 0.000 1.030 18 S CA 1.616 59.830 58.200 0.023 0.000 0.999 18 S CB -0.210 63.027 63.200 0.061 0.000 0.844 18 S HN 0.405 8.715 8.310 -0.000 0.000 0.459 19 S N 1.429 117.192 115.700 0.106 0.000 2.368 19 S HA -0.074 4.398 4.470 0.003 0.000 0.225 19 S C 2.080 176.806 174.600 0.210 0.000 1.030 19 S CA 1.159 59.466 58.200 0.178 0.000 0.999 19 S CB -0.472 62.764 63.200 0.060 0.000 0.844 19 S HN 0.534 8.844 8.310 -0.000 0.000 0.459 20 A N 1.271 124.223 122.820 0.220 0.000 1.940 20 A HA 0.118 4.440 4.320 0.003 0.000 0.219 20 A C 2.435 180.176 177.584 0.263 0.000 1.176 20 A CA 1.917 54.103 52.037 0.248 0.000 0.631 20 A CB -1.310 17.871 19.000 0.302 0.000 0.814 20 A HN 0.758 8.908 8.150 -0.000 0.000 0.446 21 A N -1.459 121.412 122.820 0.085 0.000 1.933 21 A HA -0.060 4.262 4.320 0.003 0.000 0.218 21 A C 2.055 179.504 177.584 -0.224 0.000 1.175 21 A CA 1.541 53.375 52.037 -0.339 0.000 0.628 21 A CB -0.744 17.947 19.000 -0.516 0.000 0.814 21 A HN 0.584 8.734 8.150 -0.000 0.000 0.444 22 Y N 0.346 120.622 120.300 -0.040 0.000 2.242 22 Y HA -0.119 4.433 4.550 0.003 0.000 0.291 22 Y C 2.893 178.803 175.900 0.017 0.000 1.137 22 Y CA 1.765 59.858 58.100 -0.013 0.000 1.181 22 Y CB -0.873 37.582 38.460 -0.009 0.000 0.989 22 Y HN 0.253 8.533 8.280 -0.000 0.000 0.527 23 T N -1.386 113.291 114.554 0.205 0.000 2.915 23 T HA 0.021 4.373 4.350 0.003 0.000 0.269 23 T C 1.542 176.331 174.700 0.147 0.000 1.071 23 T CA 1.263 63.451 62.100 0.146 0.000 1.132 23 T CB -0.866 68.070 68.868 0.115 0.000 0.878 23 T HN 0.589 8.829 8.240 -0.000 0.000 0.479 24 G N 1.039 109.961 108.800 0.203 0.000 2.256 24 G HA2 -0.263 3.699 3.960 0.003 0.000 0.272 24 G HA3 -0.263 3.699 3.960 0.003 0.000 0.272 24 G C 0.275 175.324 174.900 0.248 0.000 1.076 24 G CA -0.283 44.976 45.100 0.266 0.000 0.882 24 G HN 0.619 8.909 8.290 -0.000 0.000 0.497 25 c N 0.574 119.315 118.600 0.235 0.000 2.502 25 c HA 0.227 4.799 4.570 0.003 0.000 0.404 25 c C 1.322 175.407 174.090 -0.010 0.000 1.409 25 c CA -0.531 55.830 56.329 0.054 0.000 1.648 25 c CB -0.542 41.888 42.510 -0.134 0.000 2.571 25 c HN 0.453 8.683 8.230 -0.000 0.000 0.601 26 I N 3.825 124.455 120.570 0.098 0.000 2.342 26 I HA 0.387 4.559 4.170 0.003 0.000 0.291 26 I C 1.358 177.480 176.117 0.009 0.000 1.010 26 I CA 1.099 62.418 61.300 0.032 0.000 1.308 26 I CB -0.113 37.909 38.000 0.037 0.000 1.400 26 I HN 1.062 9.272 8.210 -0.000 0.000 0.488 27 G N 6.357 115.103 108.800 -0.090 0.000 2.708 27 G HA2 -0.305 3.657 3.960 0.003 0.000 0.229 27 G HA3 -0.305 3.657 3.960 0.003 0.000 0.229 27 G C 0.180 174.983 174.900 -0.161 0.000 1.236 27 G CA 0.706 45.751 45.100 -0.093 0.000 0.749 27 G HN 0.718 9.008 8.290 -0.000 0.000 0.515 28 K N -0.959 119.337 120.400 -0.174 0.000 2.551 28 K HA 0.844 5.166 4.320 0.003 0.000 0.269 28 K C -0.778 175.628 176.600 -0.323 0.000 0.949 28 K CA -0.104 56.038 56.287 -0.241 0.000 0.849 28 K CB 1.666 34.062 32.500 -0.174 0.000 1.411 28 K HN 1.483 9.733 8.250 -0.000 0.000 0.432 29 A N 2.596 125.240 122.820 -0.294 0.000 2.409 29 A HA 0.751 5.073 4.320 0.003 0.000 0.300 29 A C -0.433 177.084 177.584 -0.111 0.000 1.273 29 A CA -0.727 51.167 52.037 -0.239 0.000 0.774 29 A CB -0.793 18.198 19.000 -0.015 0.000 1.144 29 A HN 0.662 8.812 8.150 -0.000 0.000 0.472 30 F N 0.618 120.463 119.950 -0.174 0.000 2.756 30 F HA -0.423 4.105 4.527 0.002 0.000 0.240 30 F C 2.061 177.787 175.800 -0.123 0.000 1.487 30 F CA 2.327 60.245 58.000 -0.137 0.000 1.859 30 F CB -0.614 38.315 39.000 -0.119 0.000 1.319 30 F HN 0.699 8.999 8.300 -0.000 0.000 0.230 31 D N 0.925 121.383 120.400 0.096 0.000 2.355 31 D HA 0.056 4.698 4.640 0.003 0.000 0.218 31 D C 0.326 176.570 176.300 -0.092 0.000 1.004 31 D CA 0.827 54.819 54.000 -0.014 0.000 0.880 31 D CB -0.249 40.544 40.800 -0.012 0.000 0.911 31 D HN 0.134 8.504 8.370 -0.000 0.000 0.528 32 V N 1.740 121.597 119.914 -0.095 0.000 2.385 32 V HA 0.113 4.235 4.120 0.003 0.000 0.269 32 V C 0.421 176.349 176.094 -0.277 0.000 1.043 32 V CA -0.339 61.857 62.300 -0.173 0.000 0.906 32 V CB 1.213 32.984 31.823 -0.086 0.000 0.995 32 V HN 0.031 8.221 8.190 -0.000 0.000 0.467 33 T N 7.125 121.399 114.554 -0.467 0.000 2.761 33 T HA 0.446 4.798 4.350 0.003 0.000 0.296 33 T C 0.113 174.571 174.700 -0.404 0.000 0.934 33 T CA 0.101 61.900 62.100 -0.502 0.000 1.091 33 T CB 0.130 68.519 68.868 -0.798 0.000 0.896 33 T HN 0.377 8.617 8.240 -0.000 0.000 0.515 34 I N 4.251 124.648 120.570 -0.288 0.000 2.337 34 I HA 0.119 4.291 4.170 0.003 0.000 0.291 34 I C 1.404 177.458 176.117 -0.104 0.000 1.046 34 I CA -0.327 60.832 61.300 -0.236 0.000 1.324 34 I CB 1.204 38.938 38.000 -0.443 0.000 1.409 34 I HN 0.519 8.729 8.210 -0.000 0.000 0.494 35 V N 2.329 122.242 119.914 -0.000 0.000 3.431 35 V HA 0.297 4.419 4.120 0.003 0.000 0.253 35 V C 0.419 176.552 176.094 0.065 0.000 1.184 35 V CA 0.508 62.853 62.300 0.074 0.000 1.104 35 V CB -0.207 31.720 31.823 0.173 0.000 0.799 35 V HN 0.698 8.888 8.190 -0.000 0.000 0.462 36 K N 1.093 121.534 120.400 0.069 0.000 2.535 36 K HA 0.545 4.867 4.320 0.003 0.000 0.251 36 K C -1.003 175.673 176.600 0.126 0.000 0.942 36 K CA -0.467 55.871 56.287 0.085 0.000 0.798 36 K CB 1.895 34.448 32.500 0.088 0.000 1.267 36 K HN 0.320 8.570 8.250 -0.000 0.000 0.434 37 R N 4.539 125.118 120.500 0.130 0.000 2.229 37 R HA 0.455 4.797 4.340 0.003 0.000 0.332 37 R C -0.232 176.166 176.300 0.164 0.000 0.989 37 R CA -0.887 55.333 56.100 0.199 0.000 0.842 37 R CB 0.727 31.132 30.300 0.175 0.000 1.119 37 R HN 0.440 8.710 8.270 -0.000 0.000 0.456 38 I N 3.993 124.662 120.570 0.165 0.000 2.371 38 I HA 0.167 4.339 4.170 0.003 0.000 0.290 38 I C -0.454 175.773 176.117 0.184 0.000 1.028 38 I CA -0.398 60.974 61.300 0.120 0.000 1.345 38 I CB 0.380 38.420 38.000 0.067 0.000 1.407 38 I HN 0.560 8.770 8.210 -0.000 0.000 0.501 39 Y N 5.198 125.495 120.300 -0.004 0.000 2.401 39 Y HA 0.401 4.953 4.550 0.003 0.000 0.330 39 Y C -1.334 174.556 175.900 -0.016 0.000 1.071 39 Y CA -1.685 56.412 58.100 -0.006 0.000 1.049 39 Y CB 1.593 40.061 38.460 0.013 0.000 1.239 39 Y HN 0.610 8.890 8.280 -0.000 0.000 0.437 40 D N 5.545 125.750 120.400 -0.325 0.000 2.469 40 D HA 0.201 4.843 4.640 0.003 0.000 0.251 40 D C 0.424 176.396 176.300 -0.547 0.000 1.173 40 D CA -0.478 53.271 54.000 -0.419 0.000 0.882 40 D CB 1.230 41.911 40.800 -0.198 0.000 1.129 40 D HN 0.488 8.858 8.370 -0.000 0.000 0.549 41 L N 5.217 126.019 121.223 -0.703 0.000 2.017 41 L HA -0.074 4.268 4.340 0.003 0.000 0.208 41 L C 1.822 178.586 176.870 -0.176 0.000 1.073 41 L CA 2.064 56.621 54.840 -0.472 0.000 0.745 41 L CB -1.005 40.867 42.059 -0.312 0.000 0.894 41 L HN 0.496 8.726 8.230 -0.000 0.000 0.432 42 V N -2.370 117.457 119.914 -0.146 0.000 2.427 42 V HA -0.140 3.982 4.120 0.003 0.000 0.248 42 V C 2.243 178.312 176.094 -0.042 0.000 1.051 42 V CA 1.909 64.167 62.300 -0.070 0.000 1.048 42 V CB -2.195 29.591 31.823 -0.061 0.000 0.666 42 V HN 0.672 8.862 8.190 -0.000 0.000 0.456 43 T N -3.607 110.913 114.554 -0.056 0.000 3.107 43 T HA 0.112 4.464 4.350 0.003 0.000 0.249 43 T C 0.898 175.603 174.700 0.008 0.000 1.096 43 T CA 0.550 62.640 62.100 -0.016 0.000 1.012 43 T CB -0.578 68.278 68.868 -0.019 0.000 0.977 43 T HN 0.567 8.807 8.240 -0.000 0.000 0.527 44 D N 1.253 121.647 120.400 -0.009 0.000 2.701 44 D HA -0.142 4.500 4.640 0.003 0.000 0.235 44 D C -0.800 175.547 176.300 0.079 0.000 1.155 44 D CA 0.829 54.862 54.000 0.056 0.000 0.649 44 D CB -1.664 39.190 40.800 0.090 0.000 1.050 44 D HN 0.504 8.874 8.370 -0.000 0.000 0.425 45 T N 1.779 116.352 114.554 0.031 0.000 2.771 45 T HA 0.424 4.776 4.350 0.003 0.000 0.291 45 T C 0.183 174.941 174.700 0.096 0.000 0.954 45 T CA -0.613 61.515 62.100 0.048 0.000 1.045 45 T CB 0.866 69.736 68.868 0.004 0.000 0.917 45 T HN 0.155 8.395 8.240 -0.000 0.000 0.484 46 N N 1.328 120.072 118.700 0.073 0.000 2.229 46 N HA 0.731 5.473 4.740 0.003 0.000 0.298 46 N C -0.257 175.204 175.510 -0.082 0.000 1.114 46 N CA -0.631 52.452 53.050 0.055 0.000 0.776 46 N CB 2.779 41.281 38.487 0.025 0.000 1.501 46 N HN 0.810 9.190 8.380 -0.000 0.000 0.474 47 G N 0.202 108.928 108.800 -0.124 0.000 2.427 47 G HA2 0.576 4.538 3.960 0.003 0.000 0.306 47 G HA3 0.576 4.538 3.960 0.003 0.000 0.306 47 G C -2.232 172.606 174.900 -0.105 0.000 1.280 47 G CA -0.436 44.505 45.100 -0.264 0.000 0.837 47 G HN 0.290 8.580 8.290 -0.000 0.000 0.482 48 F N -0.788 119.189 119.950 0.046 0.000 2.588 48 F HA 0.752 5.281 4.527 0.003 0.000 0.310 48 F C -0.057 175.774 175.800 0.053 0.000 1.082 48 F CA -1.235 56.788 58.000 0.037 0.000 0.929 48 F CB 2.312 41.323 39.000 0.018 0.000 1.254 48 F HN 0.332 8.632 8.300 -0.000 0.000 0.455 49 V N 1.067 121.131 119.914 0.250 0.000 2.656 49 V HA 1.004 5.126 4.120 0.003 0.000 0.307 49 V C -0.006 176.160 176.094 0.120 0.000 1.051 49 V CA -0.401 62.001 62.300 0.170 0.000 0.893 49 V CB 1.391 33.299 31.823 0.141 0.000 0.999 49 V HN 1.073 9.263 8.190 -0.000 0.000 0.426 50 G N 2.562 111.426 108.800 0.106 0.000 2.500 50 G HA2 0.621 4.584 3.960 0.003 0.000 0.299 50 G HA3 0.621 4.584 3.960 0.003 0.000 0.299 50 G C -1.893 173.078 174.900 0.118 0.000 1.242 50 G CA -0.276 44.870 45.100 0.076 0.000 0.859 50 G HN 1.031 9.321 8.290 -0.000 0.000 0.481 51 Y N -1.267 119.020 120.300 -0.023 0.000 2.553 51 Y HA 0.838 5.388 4.550 -0.000 0.000 0.347 51 Y C -0.385 175.473 175.900 -0.071 0.000 1.019 51 Y CA -1.258 56.811 58.100 -0.052 0.000 1.032 51 Y CB 2.097 40.436 38.460 -0.203 0.000 1.284 51 Y HN 0.673 8.953 8.280 -0.000 0.000 0.466 52 S N 1.357 117.053 115.700 -0.007 0.000 2.566 52 S HA 0.308 4.780 4.470 0.003 0.000 0.324 52 S C 0.259 174.809 174.600 -0.083 0.000 1.081 52 S CA -0.275 57.864 58.200 -0.100 0.000 1.105 52 S CB 0.850 63.981 63.200 -0.116 0.000 0.981 52 S HN 0.865 9.175 8.310 -0.000 0.000 0.464 53 T N 3.743 118.314 114.554 0.028 0.000 2.821 53 T HA -0.102 4.250 4.350 0.003 0.000 0.267 53 T C 1.612 176.261 174.700 -0.084 0.000 1.046 53 T CA 1.488 63.615 62.100 0.045 0.000 1.139 53 T CB -0.222 68.732 68.868 0.144 0.000 0.871 53 T HN 0.826 9.066 8.240 -0.000 0.000 0.454 54 E N 0.774 120.927 120.200 -0.079 0.000 2.051 54 E HA -0.161 4.191 4.350 0.003 0.000 0.192 54 E C 1.755 178.278 176.600 -0.127 0.000 0.991 54 E CA 0.926 57.278 56.400 -0.079 0.000 0.799 54 E CB 0.148 29.815 29.700 -0.054 0.000 0.748 54 E HN 0.148 8.508 8.360 -0.000 0.000 0.449 55 K N 0.397 120.695 120.400 -0.170 0.000 2.379 55 K HA 0.053 4.375 4.320 0.003 0.000 0.194 55 K C 0.059 176.477 176.600 -0.302 0.000 1.031 55 K CA 0.176 56.352 56.287 -0.185 0.000 1.037 55 K CB 0.358 32.773 32.500 -0.142 0.000 0.824 55 K HN 0.108 8.358 8.250 -0.000 0.000 0.516 56 K N 1.828 121.896 120.400 -0.554 0.000 3.257 56 K HA -0.148 4.174 4.320 0.003 0.000 0.270 56 K C -0.326 175.808 176.600 -0.776 0.000 0.984 56 K CA 0.925 56.516 56.287 -1.160 0.000 0.739 56 K CB -2.032 30.070 32.500 -0.664 0.000 1.351 56 K HN 0.466 8.716 8.250 -0.000 0.000 0.463 57 T N -2.404 111.859 114.554 -0.486 0.000 2.916 57 T HA 0.762 5.114 4.350 0.003 0.000 0.292 57 T C 0.018 174.791 174.700 0.121 0.000 1.055 57 T CA -1.071 60.975 62.100 -0.090 0.000 1.009 57 T CB 2.068 70.898 68.868 -0.062 0.000 1.118 57 T HN 0.179 8.419 8.240 -0.000 0.000 0.497 58 I N 1.725 122.387 120.570 0.154 0.000 2.362 58 I HA 0.624 4.796 4.170 0.003 0.000 0.289 58 I C 0.155 176.329 176.117 0.094 0.000 0.994 58 I CA -0.901 60.489 61.300 0.150 0.000 1.158 58 I CB 1.465 39.533 38.000 0.114 0.000 1.315 58 I HN 0.968 9.178 8.210 -0.000 0.000 0.451 59 A N 6.341 129.220 122.820 0.098 0.000 2.342 59 A HA 0.819 5.141 4.320 0.003 0.000 0.323 59 A C -0.877 176.783 177.584 0.126 0.000 1.125 59 A CA -0.526 51.567 52.037 0.093 0.000 0.785 59 A CB 1.498 20.539 19.000 0.068 0.000 1.221 59 A HN 0.424 8.574 8.150 -0.000 0.000 0.463 60 V N 3.687 123.687 119.914 0.144 0.000 2.350 60 V HA 0.390 4.512 4.120 0.003 0.000 0.285 60 V C -0.545 175.649 176.094 0.168 0.000 1.014 60 V CA -0.033 62.377 62.300 0.182 0.000 0.831 60 V CB 0.867 32.830 31.823 0.233 0.000 1.000 60 V HN 0.706 8.896 8.190 -0.000 0.000 0.433 61 I N 5.901 126.571 120.570 0.167 0.000 2.382 61 I HA 0.467 4.639 4.170 0.003 0.000 0.286 61 I C -0.431 175.686 176.117 0.000 0.000 1.002 61 I CA -0.370 60.993 61.300 0.105 0.000 1.135 61 I CB 1.633 39.739 38.000 0.176 0.000 1.288 61 I HN 0.357 8.567 8.210 -0.000 0.000 0.448 62 M N 5.644 125.244 119.600 0.001 0.000 2.300 62 M HA 0.446 4.928 4.480 0.003 0.000 0.348 62 M C -0.086 176.114 176.300 -0.166 0.000 1.151 62 M CA -0.446 54.835 55.300 -0.032 0.000 1.046 62 M CB 1.586 34.245 32.600 0.099 0.000 1.647 62 M HN 0.528 8.818 8.290 -0.000 0.000 0.451 63 R N 0.334 120.684 120.500 -0.251 0.000 2.490 63 R HA 0.553 4.895 4.340 0.003 0.000 0.278 63 R C 0.477 176.619 176.300 -0.264 0.000 1.069 63 R CA -0.074 55.771 56.100 -0.424 0.000 1.080 63 R CB 0.873 30.928 30.300 -0.407 0.000 1.030 63 R HN 0.911 9.181 8.270 -0.000 0.000 0.491 64 G N 1.113 109.682 108.800 -0.383 0.000 2.611 64 G HA2 0.067 4.029 3.960 0.003 0.000 0.273 64 G HA3 0.067 4.029 3.960 0.003 0.000 0.273 64 G C -0.674 174.346 174.900 0.199 0.000 1.305 64 G CA -0.633 44.513 45.100 0.077 0.000 1.010 64 G HN 0.651 8.941 8.290 -0.000 0.000 0.509 65 S N -1.225 114.649 115.700 0.291 0.000 2.579 65 S HA 0.210 4.682 4.470 0.003 0.000 0.275 65 S C 1.808 176.584 174.600 0.292 0.000 1.345 65 S CA 0.232 58.578 58.200 0.244 0.000 1.031 65 S CB 1.312 64.639 63.200 0.211 0.000 0.892 65 S HN 0.886 9.196 8.310 -0.000 0.000 0.529 66 T N -1.871 112.809 114.554 0.210 0.000 3.085 66 T HA 0.088 4.440 4.350 0.003 0.000 0.263 66 T C 0.667 175.449 174.700 0.136 0.000 1.127 66 T CA 0.574 62.788 62.100 0.189 0.000 1.103 66 T CB -0.087 68.867 68.868 0.144 0.000 0.921 66 T HN 0.546 8.786 8.240 -0.000 0.000 0.510 67 T N 1.022 115.655 114.554 0.132 0.000 2.900 67 T HA 0.606 4.958 4.350 0.003 0.000 0.295 67 T C 0.182 174.953 174.700 0.118 0.000 1.044 67 T CA -1.073 61.089 62.100 0.102 0.000 0.995 67 T CB 1.367 70.281 68.868 0.077 0.000 1.072 67 T HN 0.361 8.601 8.240 -0.000 0.000 0.473 68 I N 1.362 121.995 120.570 0.105 0.000 3.936 68 I HA 0.359 4.531 4.170 0.003 0.000 0.330 68 I C 0.719 176.874 176.117 0.064 0.000 1.509 68 I CA -0.635 60.734 61.300 0.115 0.000 1.126 68 I CB -0.125 37.982 38.000 0.179 0.000 1.115 68 I HN 0.510 8.720 8.210 -0.000 0.000 0.424 75 I N 2.488 123.065 120.570 0.011 0.000 2.648 75 I HA 0.011 4.183 4.170 0.003 0.000 0.284 75 I C -0.110 176.008 176.117 0.002 0.000 1.153 75 I CA 0.219 61.527 61.300 0.014 0.000 1.426 75 I CB 0.616 38.613 38.000 -0.006 0.000 1.381 75 I HN -0.129 8.081 8.210 -0.000 0.000 0.571 76 D N 7.857 128.264 120.400 0.012 0.000 2.338 76 D HA 0.092 4.734 4.640 0.003 0.000 0.255 76 D C 0.705 176.994 176.300 -0.018 0.000 1.237 76 D CA -0.081 53.918 54.000 -0.001 0.000 0.883 76 D CB 0.626 41.432 40.800 0.010 0.000 1.087 76 D HN 0.489 8.859 8.370 -0.000 0.000 0.485 77 I N 0.899 121.443 120.570 -0.044 0.000 3.891 77 I HA 0.398 4.570 4.170 0.003 0.000 0.331 77 I C 0.538 176.677 176.117 0.036 0.000 1.406 77 I CA -0.777 60.495 61.300 -0.047 0.000 1.139 77 I CB 0.254 38.104 38.000 -0.250 0.000 1.056 77 I HN 0.168 8.378 8.210 -0.000 0.000 0.399 78 A N 2.294 125.113 122.820 -0.002 0.000 2.524 78 A HA 0.416 4.738 4.320 0.003 0.000 0.250 78 A C 0.119 177.674 177.584 -0.048 0.000 1.078 78 A CA -0.120 51.911 52.037 -0.010 0.000 0.761 78 A CB 0.049 19.034 19.000 -0.025 0.000 1.012 78 A HN 0.533 8.683 8.150 -0.000 0.000 0.500 79 L N 3.157 124.346 121.223 -0.057 0.000 2.331 79 L HA 0.390 4.732 4.340 0.003 0.000 0.278 79 L C -0.111 176.663 176.870 -0.160 0.000 1.106 79 L CA -0.308 54.440 54.840 -0.154 0.000 0.824 79 L CB 0.605 42.577 42.059 -0.145 0.000 1.142 79 L HN 0.768 8.998 8.230 -0.000 0.000 0.443 80 I N -0.828 119.604 120.570 -0.230 0.000 3.042 80 I HA 0.465 4.637 4.170 0.003 0.000 0.310 80 I C -0.017 175.899 176.117 -0.336 0.000 1.117 80 I CA -0.622 60.531 61.300 -0.245 0.000 1.003 80 I CB 1.677 39.535 38.000 -0.235 0.000 1.228 80 I HN 0.207 8.417 8.210 -0.000 0.000 0.443 81 T N 5.038 119.408 114.554 -0.306 0.000 2.752 81 T HA 0.383 4.735 4.350 0.003 0.000 0.295 81 T C -2.280 172.114 174.700 -0.509 0.000 0.923 81 T CA -0.470 61.418 62.100 -0.353 0.000 1.112 81 T CB -0.129 68.601 68.868 -0.230 0.000 0.884 81 T HN 0.556 8.796 8.240 -0.000 0.000 0.525 82 P HA 0.388 4.808 4.420 -0.000 0.000 0.279 82 P C -0.678 176.363 177.300 -0.431 0.000 1.252 82 P CA -0.555 61.985 63.100 -0.933 0.000 0.811 82 P CB 1.046 32.049 31.700 -1.162 0.000 1.035 83 E N 1.243 121.447 120.200 0.007 0.000 2.287 83 E HA 0.547 4.899 4.350 0.003 0.000 0.274 83 E C -1.776 175.005 176.600 0.302 0.000 0.896 83 E CA -0.517 56.010 56.400 0.212 0.000 0.788 83 E CB 0.897 30.654 29.700 0.095 0.000 1.244 83 E HN 0.326 8.686 8.360 -0.000 0.000 0.408 84 L N 2.742 124.127 121.223 0.270 0.000 2.445 84 L HA 0.437 4.779 4.340 0.003 0.000 0.262 84 L C -0.241 176.634 176.870 0.009 0.000 0.974 84 L CA -1.214 53.612 54.840 -0.023 0.000 0.822 84 L CB 2.295 44.256 42.059 -0.164 0.000 1.339 84 L HN 0.648 8.878 8.230 -0.000 0.000 0.409 85 S N 0.356 116.091 115.700 0.059 0.000 2.549 85 S HA 0.395 4.867 4.470 0.003 0.000 0.286 85 S C 1.115 175.832 174.600 0.194 0.000 1.314 85 S CA 0.334 58.633 58.200 0.164 0.000 1.062 85 S CB 1.050 64.365 63.200 0.191 0.000 0.865 85 S HN 1.200 9.510 8.310 -0.000 0.000 0.498 86 G N 1.329 110.171 108.800 0.070 0.000 2.179 86 G HA2 -0.227 3.735 3.960 0.003 0.000 0.260 86 G HA3 -0.227 3.735 3.960 0.003 0.000 0.260 86 G C 0.004 174.888 174.900 -0.026 0.000 0.977 86 G CA 0.080 45.182 45.100 0.004 0.000 0.641 86 G HN 1.291 9.581 8.290 -0.000 0.000 0.533 87 V N 1.120 121.015 119.914 -0.032 0.000 2.459 87 V HA 0.662 4.784 4.120 0.003 0.000 0.295 87 V C 0.236 176.219 176.094 -0.184 0.000 1.029 87 V CA -0.129 62.072 62.300 -0.165 0.000 0.874 87 V CB 1.893 33.506 31.823 -0.350 0.000 0.985 87 V HN 0.225 8.415 8.190 -0.000 0.000 0.438 88 T N 5.733 120.191 114.554 -0.159 0.000 2.874 88 T HA 0.527 4.880 4.350 0.003 0.000 0.321 88 T C -0.488 174.081 174.700 -0.218 0.000 1.075 88 T CA -0.040 61.998 62.100 -0.104 0.000 0.966 88 T CB -0.130 68.721 68.868 -0.028 0.000 1.001 88 T HN 0.280 8.520 8.240 -0.000 0.000 0.476 89 F N 3.827 123.653 119.950 -0.207 0.000 2.396 89 F HA 0.404 4.934 4.527 0.004 0.000 0.343 89 F C -1.574 173.971 175.800 -0.426 0.000 1.104 89 F CA -2.340 55.343 58.000 -0.527 0.000 1.161 89 F CB 0.214 39.017 39.000 -0.329 0.000 1.146 89 F HN 0.328 8.628 8.300 -0.000 0.000 0.522 90 P HA 0.020 4.440 4.420 -0.000 0.000 0.268 90 P C 0.635 177.868 177.300 -0.110 0.000 1.208 90 P CA 0.040 63.035 63.100 -0.175 0.000 0.777 90 P CB 0.664 32.260 31.700 -0.173 0.000 0.875 91 S N 0.627 116.283 115.700 -0.073 0.000 2.400 91 S HA -0.201 4.272 4.470 0.003 0.000 0.232 91 S C 1.215 175.769 174.600 -0.076 0.000 1.025 91 S CA 1.550 59.711 58.200 -0.065 0.000 0.993 91 S CB -0.837 62.336 63.200 -0.046 0.000 0.808 91 S HN 0.616 8.926 8.310 -0.000 0.000 0.478 92 D N 1.100 121.460 120.400 -0.066 0.000 2.340 92 D HA 0.086 4.728 4.640 0.003 0.000 0.220 92 D C 0.370 176.632 176.300 -0.063 0.000 1.039 92 D CA -0.135 53.832 54.000 -0.055 0.000 0.866 92 D CB -0.594 40.188 40.800 -0.029 0.000 0.913 92 D HN 0.323 8.693 8.370 -0.000 0.000 0.523 93 V N 1.294 121.155 119.914 -0.088 0.000 2.572 93 V HA 0.134 4.256 4.120 0.003 0.000 0.291 93 V C 0.402 176.394 176.094 -0.170 0.000 1.039 93 V CA 0.092 62.349 62.300 -0.072 0.000 1.055 93 V CB 0.887 32.668 31.823 -0.071 0.000 0.969 93 V HN 0.059 8.249 8.190 -0.000 0.000 0.482 94 K N 5.760 126.072 120.400 -0.146 0.000 2.422 94 K HA 0.684 5.006 4.320 0.003 0.000 0.251 94 K C -1.031 175.348 176.600 -0.368 0.000 0.933 94 K CA -0.503 55.626 56.287 -0.263 0.000 0.798 94 K CB 2.905 35.282 32.500 -0.205 0.000 1.238 94 K HN 0.458 8.708 8.250 -0.000 0.000 0.428 95 I N 2.468 122.747 120.570 -0.484 0.000 2.730 95 I HA 0.377 4.549 4.170 0.003 0.000 0.298 95 I C 0.397 176.242 176.117 -0.453 0.000 1.089 95 I CA -1.363 59.572 61.300 -0.608 0.000 1.041 95 I CB 2.167 39.754 38.000 -0.689 0.000 1.235 95 I HN 0.510 8.720 8.210 -0.000 0.000 0.423 96 M N 3.271 122.608 119.600 -0.438 0.000 2.245 96 M HA 0.301 4.783 4.480 0.003 0.000 0.344 96 M C 0.950 177.186 176.300 -0.108 0.000 1.170 96 M CA 0.111 55.270 55.300 -0.236 0.000 1.135 96 M CB 0.876 33.401 32.600 -0.126 0.000 1.574 96 M HN 0.666 8.956 8.290 -0.000 0.000 0.452 97 R N 2.826 123.289 120.500 -0.061 0.000 2.096 97 R HA -0.075 4.267 4.340 0.003 0.000 0.235 97 R C 1.898 178.228 176.300 0.051 0.000 1.127 97 R CA 1.896 57.998 56.100 0.004 0.000 0.968 97 R CB -0.653 29.643 30.300 -0.007 0.000 0.861 97 R HN 1.098 9.368 8.270 -0.000 0.000 0.440 98 G N -0.600 108.229 108.800 0.048 0.000 2.535 98 G HA2 -0.126 3.836 3.960 0.003 0.000 0.218 98 G HA3 -0.126 3.836 3.960 0.003 0.000 0.218 98 G C 1.066 176.049 174.900 0.139 0.000 1.122 98 G CA 0.767 45.919 45.100 0.087 0.000 0.769 98 G HN 0.260 8.550 8.290 -0.000 0.000 0.549 99 V N -1.105 118.886 119.914 0.128 0.000 3.013 99 V HA 0.087 4.209 4.120 0.003 0.000 0.238 99 V C 2.060 178.228 176.094 0.124 0.000 1.161 99 V CA 1.043 63.424 62.300 0.135 0.000 1.170 99 V CB -0.147 31.734 31.823 0.097 0.000 0.917 99 V HN 0.460 8.650 8.190 -0.000 0.000 0.478 100 H N 1.198 120.261 119.070 -0.011 0.000 2.352 100 H HA -0.185 4.373 4.556 0.003 0.000 0.299 100 H C 2.384 177.751 175.328 0.065 0.000 1.097 100 H CA 2.477 58.532 56.048 0.011 0.000 1.311 100 H CB 0.035 29.736 29.762 -0.102 0.000 1.377 100 H HN 0.260 8.540 8.280 -0.000 0.000 0.504 101 R N 0.102 120.635 120.500 0.055 0.000 2.070 101 R HA -0.074 4.268 4.340 0.003 0.000 0.232 101 R C -0.636 175.639 176.300 -0.041 0.000 1.138 101 R CA 1.837 57.936 56.100 -0.002 0.000 0.936 101 R CB -0.830 29.496 30.300 0.043 0.000 0.839 101 R HN 0.421 8.691 8.270 -0.000 0.000 0.429 102 P HA -0.233 4.187 4.420 -0.000 0.000 0.216 102 P C 1.072 178.373 177.300 0.002 0.000 1.153 102 P CA 1.246 64.358 63.100 0.019 0.000 0.848 102 P CB -0.554 31.195 31.700 0.081 0.000 0.787 103 W N 2.209 123.470 121.300 -0.066 0.000 2.355 103 W HA -0.167 4.495 4.660 0.003 0.000 0.309 103 W C 2.153 178.631 176.519 -0.068 0.000 1.206 103 W CA 2.486 59.805 57.345 -0.042 0.000 1.284 103 W CB -0.718 28.723 29.460 -0.031 0.000 1.145 103 W HN 0.086 8.266 8.180 -0.000 0.000 0.502 104 S N 0.815 116.338 115.700 -0.294 0.000 2.419 104 S HA -0.121 4.352 4.470 0.003 0.000 0.233 104 S C 2.006 176.454 174.600 -0.254 0.000 1.016 104 S CA 1.299 59.295 58.200 -0.341 0.000 0.974 104 S CB -0.787 62.141 63.200 -0.453 0.000 0.786 104 S HN 0.233 8.543 8.310 -0.000 0.000 0.492 105 A N 1.488 124.173 122.820 -0.225 0.000 1.972 105 A HA 0.099 4.421 4.320 0.003 0.000 0.219 105 A C 2.333 179.793 177.584 -0.208 0.000 1.169 105 A CA 1.658 53.592 52.037 -0.173 0.000 0.635 105 A CB -0.761 18.158 19.000 -0.135 0.000 0.810 105 A HN 1.227 9.377 8.150 -0.000 0.000 0.446 106 V N -4.749 114.962 119.914 -0.338 0.000 3.605 106 V HA 0.107 4.229 4.120 0.003 0.000 0.284 106 V C 1.854 177.660 176.094 -0.479 0.000 1.386 106 V CA 0.946 63.028 62.300 -0.363 0.000 1.053 106 V CB -0.935 30.675 31.823 -0.356 0.000 0.857 106 V HN 0.662 8.852 8.190 -0.000 0.000 0.436 107 H N 1.810 120.445 119.070 -0.726 0.000 2.265 107 H HA -0.214 4.345 4.556 0.004 0.000 0.295 107 H C 1.811 177.010 175.328 -0.215 0.000 1.084 107 H CA 2.677 58.352 56.048 -0.622 0.000 1.261 107 H CB -0.077 29.454 29.762 -0.386 0.000 1.360 107 H HN 0.431 8.711 8.280 -0.000 0.000 0.487 108 D N -0.395 119.959 120.400 -0.076 0.000 2.144 108 D HA -0.093 4.549 4.640 0.003 0.000 0.200 108 D C 2.117 178.368 176.300 -0.082 0.000 0.978 108 D CA 1.392 55.355 54.000 -0.061 0.000 0.833 108 D CB -0.422 40.391 40.800 0.023 0.000 0.961 108 D HN 0.427 8.797 8.370 -0.000 0.000 0.470 109 T N 1.210 115.711 114.554 -0.088 0.000 2.708 109 T HA -0.089 4.263 4.350 0.003 0.000 0.266 109 T C 2.252 176.926 174.700 -0.043 0.000 1.037 109 T CA 0.632 62.699 62.100 -0.055 0.000 1.146 109 T CB -0.130 68.705 68.868 -0.055 0.000 0.865 109 T HN 0.159 8.399 8.240 -0.000 0.000 0.435 110 I N 0.716 121.231 120.570 -0.092 0.000 2.202 110 I HA -0.128 4.044 4.170 0.003 0.000 0.242 110 I C 2.224 178.367 176.117 0.043 0.000 1.091 110 I CA 0.877 62.166 61.300 -0.018 0.000 1.368 110 I CB -0.339 37.639 38.000 -0.037 0.000 1.058 110 I HN 0.167 8.377 8.210 -0.000 0.000 0.410 111 I N 0.695 121.252 120.570 -0.022 0.000 2.208 111 I HA -0.268 3.904 4.170 0.003 0.000 0.245 111 I C 2.607 178.823 176.117 0.165 0.000 1.097 111 I CA 1.825 63.182 61.300 0.096 0.000 1.363 111 I CB -1.761 36.165 38.000 -0.124 0.000 1.051 111 I HN 0.260 8.470 8.210 -0.000 0.000 0.413 112 T N 0.275 114.869 114.554 0.067 0.000 2.746 112 T HA -0.209 4.143 4.350 0.003 0.000 0.267 112 T C 1.843 176.589 174.700 0.075 0.000 1.039 112 T CA 1.770 63.913 62.100 0.071 0.000 1.142 112 T CB -0.122 68.766 68.868 0.034 0.000 0.866 112 T HN 0.274 8.514 8.240 -0.000 0.000 0.444 113 E N 0.843 121.082 120.200 0.065 0.000 2.107 113 E HA -0.058 4.294 4.350 0.003 0.000 0.191 113 E C 2.098 178.731 176.600 0.056 0.000 0.982 113 E CA 0.699 57.137 56.400 0.062 0.000 0.809 113 E CB -0.524 29.217 29.700 0.068 0.000 0.756 113 E HN 0.247 8.607 8.360 -0.000 0.000 0.459 114 V N 1.161 121.111 119.914 0.060 0.000 2.343 114 V HA -0.248 3.874 4.120 0.003 0.000 0.247 114 V C 2.490 178.496 176.094 -0.146 0.000 1.051 114 V CA 2.144 64.415 62.300 -0.047 0.000 1.036 114 V CB -0.545 31.229 31.823 -0.081 0.000 0.654 114 V HN 0.299 8.489 8.190 -0.000 0.000 0.451 115 K N 0.111 120.521 120.400 0.017 0.000 2.097 115 K HA -0.149 4.173 4.320 0.003 0.000 0.206 115 K C 2.190 178.791 176.600 0.002 0.000 1.049 115 K CA 1.411 57.731 56.287 0.055 0.000 0.933 115 K CB -0.263 32.380 32.500 0.239 0.000 0.717 115 K HN 0.442 8.692 8.250 -0.000 0.000 0.442 116 A N 1.147 123.973 122.820 0.011 0.000 1.898 116 A HA -0.104 4.218 4.320 0.003 0.000 0.216 116 A C 2.056 179.613 177.584 -0.044 0.000 1.181 116 A CA 1.127 53.156 52.037 -0.013 0.000 0.620 116 A CB -0.479 18.524 19.000 0.005 0.000 0.819 116 A HN 0.295 8.445 8.150 -0.000 0.000 0.442 117 L N -0.676 120.538 121.223 -0.015 0.000 2.109 117 L HA -0.108 4.234 4.340 0.003 0.000 0.207 117 L C 2.383 179.235 176.870 -0.030 0.000 1.086 117 L CA 0.867 55.722 54.840 0.025 0.000 0.760 117 L CB -0.423 41.705 42.059 0.115 0.000 0.910 117 L HN 0.359 8.588 8.230 -0.000 0.000 0.437 118 I N -0.021 120.495 120.570 -0.090 0.000 2.286 118 I HA -0.302 3.870 4.170 0.003 0.000 0.248 118 I C 2.753 178.801 176.117 -0.116 0.000 1.115 118 I CA 1.177 62.409 61.300 -0.112 0.000 1.392 118 I CB -0.391 37.504 38.000 -0.174 0.000 1.065 118 I HN 0.212 8.422 8.210 -0.000 0.000 0.418 119 A N 0.410 123.162 122.820 -0.115 0.000 1.933 119 A HA -0.251 4.071 4.320 0.003 0.000 0.218 119 A C 2.355 179.805 177.584 -0.223 0.000 1.175 119 A CA 1.855 53.815 52.037 -0.129 0.000 0.628 119 A CB -0.399 18.543 19.000 -0.096 0.000 0.814 119 A HN 0.356 8.506 8.150 -0.000 0.000 0.444 120 K N -2.194 118.002 120.400 -0.341 0.000 2.186 120 K HA -0.010 4.312 4.320 0.003 0.000 0.202 120 K C -0.614 175.446 176.600 -0.901 0.000 1.052 120 K CA 0.650 56.551 56.287 -0.644 0.000 0.965 120 K CB 0.040 32.035 32.500 -0.841 0.000 0.746 120 K HN 0.485 8.735 8.250 -0.000 0.000 0.457 121 Y N 0.362 120.422 120.300 -0.400 0.000 2.658 121 Y HA 0.282 4.832 4.550 0.001 0.000 0.362 121 Y C -2.170 173.496 175.900 -0.390 0.000 1.017 121 Y CA -2.331 55.389 58.100 -0.634 0.000 1.134 121 Y CB 1.471 39.188 38.460 -1.239 0.000 1.144 121 Y HN 0.092 8.372 8.280 -0.000 0.000 0.655 122 P HA -0.054 4.366 4.420 -0.000 0.000 0.241 122 P C 0.494 177.806 177.300 0.020 0.000 1.191 122 P CA 0.995 64.063 63.100 -0.054 0.000 0.771 122 P CB 0.488 32.152 31.700 -0.060 0.000 0.929 123 D N -2.323 118.120 120.400 0.072 0.000 2.349 123 D HA -0.057 4.585 4.640 0.003 0.000 0.214 123 D C 0.254 176.730 176.300 0.294 0.000 1.063 123 D CA -0.165 53.931 54.000 0.159 0.000 0.847 123 D CB -0.520 40.379 40.800 0.165 0.000 0.933 123 D HN 0.050 8.420 8.370 -0.000 0.000 0.513 124 Y N 2.328 122.651 120.300 0.039 0.000 2.336 124 Y HA 0.268 4.820 4.550 0.005 0.000 0.331 124 Y C 1.645 177.547 175.900 0.003 0.000 1.211 124 Y CA -1.210 56.901 58.100 0.019 0.000 1.346 124 Y CB 0.835 39.306 38.460 0.019 0.000 1.271 124 Y HN -0.116 8.164 8.280 -0.000 0.000 0.538 125 T N 0.461 115.088 114.554 0.122 0.000 2.884 125 T HA 0.760 5.112 4.350 0.003 0.000 0.277 125 T C -0.321 174.414 174.700 0.058 0.000 0.976 125 T CA -0.969 61.169 62.100 0.065 0.000 0.956 125 T CB 0.825 69.711 68.868 0.029 0.000 1.113 125 T HN 0.411 8.651 8.240 -0.000 0.000 0.554 126 L N 0.959 122.208 121.223 0.044 0.000 2.331 126 L HA 0.686 5.028 4.340 0.003 0.000 0.275 126 L C 0.098 177.005 176.870 0.061 0.000 1.022 126 L CA -0.926 53.942 54.840 0.047 0.000 0.812 126 L CB 1.557 43.642 42.059 0.044 0.000 1.257 126 L HN 0.948 9.178 8.230 -0.000 0.000 0.435 127 E N 1.629 121.871 120.200 0.070 0.000 2.390 127 E HA 0.834 5.186 4.350 0.003 0.000 0.277 127 E C -1.758 174.905 176.600 0.104 0.000 0.939 127 E CA -1.081 55.366 56.400 0.078 0.000 0.769 127 E CB 2.466 32.188 29.700 0.037 0.000 1.251 127 E HN 0.582 8.942 8.360 -0.000 0.000 0.450 128 A N 1.624 124.518 122.820 0.123 0.000 2.414 128 A HA 0.791 5.114 4.320 0.003 0.000 0.306 128 A C -1.353 176.296 177.584 0.109 0.000 1.054 128 A CA -0.708 51.411 52.037 0.136 0.000 0.724 128 A CB 2.230 21.330 19.000 0.166 0.000 1.267 128 A HN 0.666 8.816 8.150 -0.000 0.000 0.418 129 V N 0.499 120.469 119.914 0.094 0.000 3.147 129 V HA 0.936 5.058 4.120 0.003 0.000 0.299 129 V C -0.241 175.889 176.094 0.059 0.000 1.302 129 V CA 0.704 63.040 62.300 0.060 0.000 1.015 129 V CB 2.225 34.061 31.823 0.022 0.000 1.086 129 V HN 2.329 10.519 8.190 -0.000 0.000 0.437 130 G N 2.732 111.565 108.800 0.055 0.000 2.368 130 G HA2 0.425 4.387 3.960 0.003 0.000 0.293 130 G HA3 0.425 4.387 3.960 0.003 0.000 0.293 130 G C -2.111 172.854 174.900 0.108 0.000 1.467 130 G CA -0.424 44.706 45.100 0.050 0.000 0.804 130 G HN 1.256 9.546 8.290 -0.000 0.000 0.535 131 H N 0.389 119.466 119.070 0.012 0.000 2.524 131 H HA 0.705 5.263 4.556 0.003 0.000 0.353 131 H C 0.737 176.145 175.328 0.133 0.000 1.136 131 H CA 0.734 56.831 56.048 0.082 0.000 1.193 131 H CB 1.966 31.821 29.762 0.156 0.000 1.558 131 H HN 1.290 9.570 8.280 -0.000 0.000 0.515 132 S N 2.338 117.783 115.700 -0.425 0.000 4.116 132 S HA -0.333 4.139 4.470 0.003 0.000 0.623 132 S C 1.476 176.121 174.600 0.075 0.000 1.933 132 S CA 1.330 59.462 58.200 -0.113 0.000 4.224 132 S CB -1.326 61.871 63.200 -0.004 0.000 0.208 132 S HN 0.659 8.969 8.310 -0.000 0.000 0.527 133 L N 2.859 124.222 121.223 0.234 0.000 2.079 133 L HA 0.154 4.496 4.340 0.003 0.000 0.210 133 L C 2.460 179.375 176.870 0.076 0.000 1.081 133 L CA 3.121 58.084 54.840 0.206 0.000 0.752 133 L CB -1.362 40.871 42.059 0.291 0.000 0.896 133 L HN 0.755 8.985 8.230 -0.000 0.000 0.433 134 G N -1.151 107.691 108.800 0.069 0.000 2.450 134 G HA2 -0.214 3.748 3.960 0.003 0.000 0.220 134 G HA3 -0.214 3.748 3.960 0.003 0.000 0.220 134 G C 1.485 176.406 174.900 0.034 0.000 1.130 134 G CA 0.585 45.705 45.100 0.033 0.000 0.760 134 G HN 0.602 8.892 8.290 -0.000 0.000 0.557 135 G N 0.876 109.682 108.800 0.010 0.000 2.403 135 G HA2 0.127 4.089 3.960 0.003 0.000 0.216 135 G HA3 0.127 4.089 3.960 0.003 0.000 0.216 135 G C 2.020 176.906 174.900 -0.024 0.000 1.154 135 G CA 1.345 46.453 45.100 0.012 0.000 0.784 135 G HN 0.588 8.878 8.290 -0.000 0.000 0.538 136 A N 0.733 123.436 122.820 -0.195 0.000 1.902 136 A HA 0.085 4.407 4.320 0.003 0.000 0.217 136 A C 2.415 179.941 177.584 -0.095 0.000 1.181 136 A CA 1.226 53.086 52.037 -0.297 0.000 0.623 136 A CB -0.430 18.087 19.000 -0.804 0.000 0.818 136 A HN 0.343 8.493 8.150 -0.000 0.000 0.443 137 L N -0.775 120.438 121.223 -0.017 0.000 2.083 137 L HA -0.168 4.175 4.340 0.003 0.000 0.209 137 L C 2.716 179.541 176.870 -0.074 0.000 1.083 137 L CA 1.744 56.612 54.840 0.047 0.000 0.752 137 L CB -0.839 41.347 42.059 0.212 0.000 0.899 137 L HN 0.321 8.551 8.230 -0.000 0.000 0.433 138 T N -0.945 113.612 114.554 0.006 0.000 2.833 138 T HA -0.156 4.196 4.350 0.003 0.000 0.269 138 T C 2.096 176.804 174.700 0.014 0.000 1.054 138 T CA 1.477 63.597 62.100 0.032 0.000 1.135 138 T CB -0.188 68.760 68.868 0.134 0.000 0.869 138 T HN 0.563 8.803 8.240 -0.000 0.000 0.466 139 S N 0.854 116.558 115.700 0.007 0.000 2.423 139 S HA -0.028 4.444 4.470 0.003 0.000 0.231 139 S C 1.978 176.618 174.600 0.067 0.000 1.014 139 S CA 0.481 58.585 58.200 -0.159 0.000 0.965 139 S CB -0.408 62.812 63.200 0.034 0.000 0.785 139 S HN 0.381 8.691 8.310 -0.000 0.000 0.495 140 I N 2.054 122.581 120.570 -0.072 0.000 2.585 140 I HA 0.326 4.498 4.170 0.003 0.000 0.254 140 I C 2.476 178.293 176.117 -0.501 0.000 1.129 140 I CA 0.597 61.793 61.300 -0.174 0.000 1.455 140 I CB -0.883 36.890 38.000 -0.377 0.000 1.111 140 I HN 0.271 8.481 8.210 -0.000 0.000 0.433 141 A N -0.203 122.115 122.820 -0.835 0.000 1.948 141 A HA -0.353 3.969 4.320 0.003 0.000 0.220 141 A C 2.292 179.788 177.584 -0.147 0.000 1.177 141 A CA 2.315 53.927 52.037 -0.709 0.000 0.636 141 A CB -1.332 17.394 19.000 -0.456 0.000 0.815 141 A HN 0.697 8.847 8.150 -0.000 0.000 0.449 142 H N -0.397 118.595 119.070 -0.130 0.000 2.319 142 H HA -0.108 4.449 4.556 0.002 0.000 0.299 142 H C 1.821 177.127 175.328 -0.038 0.000 1.092 142 H CA 2.260 58.290 56.048 -0.029 0.000 1.302 142 H CB -0.210 29.520 29.762 -0.053 0.000 1.373 142 H HN 0.146 8.427 8.280 -0.000 0.000 0.497 143 V N 0.535 120.418 119.914 -0.052 0.000 2.453 143 V HA -0.183 3.939 4.120 0.003 0.000 0.247 143 V C 2.714 178.763 176.094 -0.076 0.000 1.048 143 V CA 1.402 63.624 62.300 -0.129 0.000 1.049 143 V CB -1.148 30.696 31.823 0.034 0.000 0.672 143 V HN 0.691 8.881 8.190 -0.000 0.000 0.457 144 A N 0.055 122.890 122.820 0.026 0.000 1.883 144 A HA -0.173 4.149 4.320 0.003 0.000 0.217 144 A C 2.210 179.859 177.584 0.108 0.000 1.186 144 A CA 1.901 54.052 52.037 0.190 0.000 0.624 144 A CB -0.536 18.746 19.000 0.471 0.000 0.822 144 A HN 0.496 8.646 8.150 -0.000 0.000 0.444 145 L N -0.928 120.353 121.223 0.096 0.000 2.056 145 L HA -0.147 4.195 4.340 0.003 0.000 0.207 145 L C 3.110 180.018 176.870 0.064 0.000 1.078 145 L CA 0.992 55.938 54.840 0.177 0.000 0.749 145 L CB -0.605 41.573 42.059 0.198 0.000 0.901 145 L HN 0.426 8.656 8.230 -0.000 0.000 0.433 146 A N -0.669 122.085 122.820 -0.111 0.000 1.908 146 A HA -0.221 4.101 4.320 0.003 0.000 0.218 146 A C 2.282 179.791 177.584 -0.124 0.000 1.181 146 A CA 1.450 53.392 52.037 -0.158 0.000 0.627 146 A CB -0.359 18.447 19.000 -0.324 0.000 0.818 146 A HN 0.421 8.571 8.150 -0.000 0.000 0.445 147 Q N -0.472 119.242 119.800 -0.143 0.000 2.137 147 Q HA -0.046 4.296 4.340 0.003 0.000 0.198 147 Q C 1.569 177.471 176.000 -0.164 0.000 0.960 147 Q CA 1.009 56.731 55.803 -0.134 0.000 0.847 147 Q CB -0.324 28.342 28.738 -0.121 0.000 0.915 147 Q HN 0.692 8.962 8.270 -0.000 0.000 0.448 148 N N -0.421 118.121 118.700 -0.263 0.000 2.376 148 N HA -0.026 4.716 4.740 0.003 0.000 0.177 148 N C -0.278 174.767 175.510 -0.775 0.000 1.024 148 N CA 0.605 53.304 53.050 -0.585 0.000 0.893 148 N CB 0.321 38.280 38.487 -0.880 0.000 0.980 148 N HN 0.090 8.470 8.380 -0.000 0.000 0.439 149 F N 0.379 120.327 119.950 -0.004 0.000 2.584 149 F HA 0.360 4.891 4.527 0.006 0.000 0.328 149 F C -1.788 174.003 175.800 -0.016 0.000 1.407 149 F CA -1.940 56.059 58.000 -0.002 0.000 1.145 149 F CB 1.420 40.426 39.000 0.010 0.000 1.440 149 F HN -0.126 8.174 8.300 -0.000 0.000 0.580 150 P HA -0.087 4.333 4.420 -0.000 0.000 0.233 150 P C 0.576 177.905 177.300 0.049 0.000 1.167 150 P CA 1.022 64.141 63.100 0.033 0.000 0.770 150 P CB 0.192 31.889 31.700 -0.004 0.000 0.837 151 D N -1.391 119.056 120.400 0.078 0.000 2.342 151 D HA 0.036 4.678 4.640 0.003 0.000 0.221 151 D C 0.260 176.600 176.300 0.067 0.000 1.101 151 D CA 0.087 54.126 54.000 0.063 0.000 0.837 151 D CB -0.020 40.816 40.800 0.060 0.000 0.938 151 D HN -0.023 8.347 8.370 -0.000 0.000 0.508 152 K N 0.376 120.826 120.400 0.082 0.000 2.270 152 K HA 0.384 4.706 4.320 0.003 0.000 0.255 152 K C -0.265 176.368 176.600 0.055 0.000 0.936 152 K CA -0.695 55.631 56.287 0.066 0.000 0.809 152 K CB 2.129 34.669 32.500 0.066 0.000 1.131 152 K HN -0.115 8.135 8.250 -0.000 0.000 0.427 153 S N 1.829 117.556 115.700 0.046 0.000 2.562 153 S HA 0.277 4.749 4.470 0.003 0.000 0.281 153 S C -0.183 174.447 174.600 0.051 0.000 1.333 153 S CA -0.462 57.764 58.200 0.044 0.000 1.052 153 S CB 0.217 63.439 63.200 0.036 0.000 0.884 153 S HN 0.418 8.728 8.310 -0.000 0.000 0.506 154 L N 4.074 125.336 121.223 0.064 0.000 2.464 154 L HA 0.716 5.058 4.340 0.003 0.000 0.266 154 L C -1.505 175.449 176.870 0.139 0.000 0.965 154 L CA -0.378 54.515 54.840 0.089 0.000 0.833 154 L CB 1.807 43.899 42.059 0.056 0.000 1.296 154 L HN 0.438 8.668 8.230 -0.000 0.000 0.405 155 V N 3.388 123.382 119.914 0.133 0.000 2.577 155 V HA 0.719 4.841 4.120 0.003 0.000 0.303 155 V C -0.379 175.805 176.094 0.151 0.000 1.042 155 V CA -0.414 61.964 62.300 0.130 0.000 0.872 155 V CB 1.956 33.801 31.823 0.037 0.000 0.998 155 V HN 0.849 9.039 8.190 -0.000 0.000 0.423 156 S N 3.885 119.698 115.700 0.188 0.000 2.500 156 S HA 0.579 5.051 4.470 0.003 0.000 0.301 156 S C -0.633 173.979 174.600 0.020 0.000 1.092 156 S CA -0.810 57.510 58.200 0.200 0.000 1.030 156 S CB 1.317 64.785 63.200 0.447 0.000 1.031 156 S HN 0.743 9.053 8.310 -0.000 0.000 0.483 157 N N 2.228 120.921 118.700 -0.013 0.000 2.569 157 N HA 0.399 5.141 4.740 0.003 0.000 0.254 157 N C -1.025 174.447 175.510 -0.063 0.000 1.004 157 N CA -0.267 52.703 53.050 -0.133 0.000 0.904 157 N CB 1.754 40.149 38.487 -0.154 0.000 1.165 157 N HN 0.680 9.060 8.380 -0.000 0.000 0.513 158 A N 3.301 126.052 122.820 -0.115 0.000 2.276 158 A HA 0.542 4.864 4.320 0.003 0.000 0.300 158 A C 0.084 177.656 177.584 -0.021 0.000 1.235 158 A CA -0.408 51.633 52.037 0.007 0.000 0.867 158 A CB 0.227 19.315 19.000 0.147 0.000 1.137 158 A HN 0.601 8.751 8.150 -0.000 0.000 0.527 159 L N 2.515 123.768 121.223 0.049 0.000 2.295 159 L HA 0.343 4.685 4.340 0.003 0.000 0.285 159 L C -0.098 176.808 176.870 0.060 0.000 1.035 159 L CA -0.748 54.160 54.840 0.114 0.000 0.806 159 L CB 0.881 43.069 42.059 0.215 0.000 1.214 159 L HN 0.846 9.076 8.230 -0.000 0.000 0.426 160 N N 1.161 119.916 118.700 0.091 0.000 2.740 160 N HA -0.181 4.561 4.740 0.003 0.000 0.248 160 N C -0.472 175.107 175.510 0.115 0.000 1.062 160 N CA 1.066 54.170 53.050 0.090 0.000 0.704 160 N CB -0.947 37.525 38.487 -0.024 0.000 0.968 160 N HN 0.775 9.155 8.380 -0.000 0.000 0.547 161 A N 0.054 122.932 122.820 0.097 0.000 2.312 161 A HA 0.690 5.012 4.320 0.003 0.000 0.326 161 A C 0.333 178.047 177.584 0.216 0.000 1.172 161 A CA -0.843 51.225 52.037 0.052 0.000 0.821 161 A CB 0.459 19.462 19.000 0.007 0.000 1.166 161 A HN 0.309 8.459 8.150 -0.000 0.000 0.493 162 F N 1.511 121.598 119.950 0.227 0.000 2.380 162 F HA 0.666 5.196 4.527 0.005 0.000 0.325 162 F C -2.230 173.747 175.800 0.295 0.000 1.136 162 F CA -3.015 55.124 58.000 0.232 0.000 1.171 162 F CB -0.086 38.993 39.000 0.132 0.000 1.230 162 F HN 0.301 8.601 8.300 -0.000 0.000 0.554 163 P HA 0.204 4.624 4.420 -0.000 0.000 0.277 163 P C 0.097 177.670 177.300 0.456 0.000 1.240 163 P CA -0.203 62.977 63.100 0.133 0.000 0.798 163 P CB 1.808 33.346 31.700 -0.270 0.000 0.979 164 I N -2.414 118.287 120.570 0.218 0.000 4.240 164 I HA 0.547 4.719 4.170 0.003 0.000 0.331 164 I C 0.398 176.154 176.117 -0.601 0.000 1.381 164 I CA -0.264 60.998 61.300 -0.064 0.000 1.136 164 I CB 0.700 38.609 38.000 -0.151 0.000 1.137 164 I HN 0.373 8.583 8.210 -0.000 0.000 0.411 165 G N 1.440 109.917 108.800 -0.537 0.000 2.619 165 G HA2 0.319 4.281 3.960 0.003 0.000 0.305 165 G HA3 0.319 4.281 3.960 0.003 0.000 0.305 165 G C -1.424 173.342 174.900 -0.224 0.000 1.330 165 G CA -0.470 44.254 45.100 -0.626 0.000 0.789 165 G HN 0.281 8.571 8.290 -0.000 0.000 0.487 166 N N -0.984 117.676 118.700 -0.067 0.000 2.418 166 N HA 0.243 4.985 4.740 0.003 0.000 0.283 166 N C 1.093 176.703 175.510 0.166 0.000 1.267 166 N CA -0.449 52.638 53.050 0.061 0.000 0.975 166 N CB 0.712 39.210 38.487 0.018 0.000 1.167 166 N HN 0.470 8.850 8.380 -0.000 0.000 0.581 167 Q N -0.507 119.368 119.800 0.126 0.000 2.124 167 Q HA 0.023 4.365 4.340 0.003 0.000 0.202 167 Q C 1.738 177.786 176.000 0.079 0.000 0.977 167 Q CA 2.189 58.056 55.803 0.107 0.000 0.850 167 Q CB -0.752 28.037 28.738 0.084 0.000 0.901 167 Q HN 0.745 9.015 8.270 -0.000 0.000 0.429 168 A N 0.289 123.156 122.820 0.078 0.000 1.930 168 A HA -0.172 4.150 4.320 0.003 0.000 0.217 168 A C 1.944 179.587 177.584 0.098 0.000 1.175 168 A CA 1.296 53.370 52.037 0.062 0.000 0.627 168 A CB -1.380 17.642 19.000 0.036 0.000 0.815 168 A HN 0.806 8.956 8.150 -0.000 0.000 0.443 169 W N 0.858 122.149 121.300 -0.016 0.000 2.355 169 W HA -0.184 4.478 4.660 0.004 0.000 0.309 169 W C 2.077 178.591 176.519 -0.009 0.000 1.206 169 W CA 1.938 59.285 57.345 0.003 0.000 1.284 169 W CB -0.451 28.971 29.460 -0.063 0.000 1.145 169 W HN 0.396 8.576 8.180 -0.000 0.000 0.502 170 A N 1.097 123.703 122.820 -0.357 0.000 1.933 170 A HA -0.242 4.080 4.320 0.003 0.000 0.218 170 A C 1.659 178.991 177.584 -0.420 0.000 1.175 170 A CA 2.130 53.895 52.037 -0.453 0.000 0.628 170 A CB -1.055 17.954 19.000 0.015 0.000 0.814 170 A HN 0.304 8.454 8.150 -0.000 0.000 0.444 171 D N -1.179 119.103 120.400 -0.197 0.000 2.144 171 D HA -0.111 4.532 4.640 0.003 0.000 0.200 171 D C 1.568 177.774 176.300 -0.157 0.000 0.978 171 D CA 1.021 54.949 54.000 -0.120 0.000 0.833 171 D CB -0.421 40.367 40.800 -0.020 0.000 0.961 171 D HN 0.441 8.811 8.370 -0.000 0.000 0.470 172 F N 1.671 121.409 119.950 -0.353 0.000 2.134 172 F HA -0.013 4.517 4.527 0.005 0.000 0.299 172 F C 2.254 177.709 175.800 -0.575 0.000 1.097 172 F CA 1.590 59.382 58.000 -0.347 0.000 1.264 172 F CB -0.538 38.348 39.000 -0.189 0.000 1.001 172 F HN -0.045 8.255 8.300 -0.000 0.000 0.479 173 G N -1.066 107.048 108.800 -1.143 0.000 2.418 173 G HA2 -0.243 3.719 3.960 0.003 0.000 0.217 173 G HA3 -0.243 3.719 3.960 0.003 0.000 0.217 173 G C 1.664 176.029 174.900 -0.892 0.000 1.158 173 G CA 1.346 45.430 45.100 -1.694 0.000 0.771 173 G HN 0.368 8.658 8.290 -0.000 0.000 0.545 174 T N 1.632 115.849 114.554 -0.562 0.000 2.833 174 T HA 0.011 4.363 4.350 0.003 0.000 0.269 174 T C 2.722 177.343 174.700 -0.132 0.000 1.054 174 T CA 1.372 63.394 62.100 -0.131 0.000 1.135 174 T CB -0.273 68.561 68.868 -0.056 0.000 0.869 174 T HN 0.375 8.615 8.240 -0.000 0.000 0.466 175 A N 1.124 123.805 122.820 -0.232 0.000 2.067 175 A HA -0.003 4.319 4.320 0.003 0.000 0.219 175 A C 1.269 178.727 177.584 -0.210 0.000 1.158 175 A CA 0.637 52.564 52.037 -0.183 0.000 0.661 175 A CB -0.178 18.725 19.000 -0.163 0.000 0.801 175 A HN 0.337 8.487 8.150 -0.000 0.000 0.452 176 Q N 0.304 119.925 119.800 -0.299 0.000 2.337 176 Q HA 0.439 4.781 4.340 0.003 0.000 0.270 176 Q C 0.296 176.247 176.000 -0.081 0.000 1.002 176 Q CA 0.397 56.051 55.803 -0.248 0.000 0.888 176 Q CB 0.354 28.896 28.738 -0.326 0.000 1.222 176 Q HN 0.400 8.670 8.270 -0.000 0.000 0.400 177 A N 1.481 124.253 122.820 -0.079 0.000 2.466 177 A HA 0.530 4.852 4.320 0.003 0.000 0.238 177 A C 0.704 178.298 177.584 0.015 0.000 1.074 177 A CA 0.811 52.838 52.037 -0.017 0.000 0.774 177 A CB -0.127 18.859 19.000 -0.023 0.000 1.015 177 A HN 0.976 9.126 8.150 -0.000 0.000 0.498 178 G N -0.190 108.660 108.800 0.083 0.000 2.629 178 G HA2 0.241 4.203 3.960 0.003 0.000 0.686 178 G HA3 0.241 4.203 3.960 0.003 0.000 0.686 178 G C -0.476 174.606 174.900 0.303 0.000 1.232 178 G CA -0.337 44.869 45.100 0.176 0.000 0.803 178 G HN 1.305 9.595 8.290 -0.000 0.000 0.638 179 T N 1.437 116.160 114.554 0.283 0.000 2.756 179 T HA 0.528 4.880 4.350 0.003 0.000 0.290 179 T C -0.615 174.133 174.700 0.079 0.000 0.985 179 T CA -0.095 62.101 62.100 0.160 0.000 0.955 179 T CB 1.086 70.003 68.868 0.082 0.000 0.930 179 T HN 0.817 9.057 8.240 -0.000 0.000 0.451 180 F N 4.825 124.600 119.950 -0.291 0.000 2.385 180 F HA 0.497 5.025 4.527 0.002 0.000 0.360 180 F C -0.294 175.340 175.800 -0.278 0.000 1.122 180 F CA -1.269 56.413 58.000 -0.529 0.000 1.090 180 F CB 0.623 39.094 39.000 -0.882 0.000 1.150 180 F HN 0.356 8.656 8.300 -0.000 0.000 0.472 181 N N 5.702 123.937 118.700 -0.774 0.000 2.362 181 N HA 0.400 5.142 4.740 0.003 0.000 0.298 181 N C -0.980 174.025 175.510 -0.842 0.000 1.048 181 N CA -0.656 52.058 53.050 -0.561 0.000 0.858 181 N CB 1.931 40.281 38.487 -0.228 0.000 1.218 181 N HN 0.575 8.955 8.380 -0.000 0.000 0.488 182 R N 0.552 120.720 120.500 -0.554 0.000 2.272 182 R HA 0.402 4.744 4.340 0.003 0.000 0.323 182 R C 0.159 176.425 176.300 -0.058 0.000 1.002 182 R CA -0.677 55.201 56.100 -0.370 0.000 0.900 182 R CB 1.145 31.227 30.300 -0.363 0.000 1.151 182 R HN 0.523 8.793 8.270 -0.000 0.000 0.507 183 G N 3.048 111.866 108.800 0.030 0.000 2.329 183 G HA2 0.217 4.179 3.960 0.003 0.000 0.309 183 G HA3 0.217 4.179 3.960 0.003 0.000 0.309 183 G C -0.439 174.722 174.900 0.436 0.000 1.110 183 G CA -0.383 44.905 45.100 0.312 0.000 0.923 183 G HN 0.435 8.725 8.290 -0.000 0.000 0.430 184 N N 0.780 119.717 118.700 0.394 0.000 2.402 184 N HA 0.410 5.152 4.740 0.003 0.000 0.294 184 N C -0.863 174.552 175.510 -0.158 0.000 1.203 184 N CA -0.806 52.358 53.050 0.190 0.000 0.838 184 N CB 2.132 40.796 38.487 0.294 0.000 1.306 184 N HN 0.514 8.894 8.380 -0.000 0.000 0.510 185 N N -0.657 117.916 118.700 -0.212 0.000 2.292 185 N HA 0.396 5.138 4.740 0.003 0.000 0.303 185 N C -0.844 174.400 175.510 -0.443 0.000 1.140 185 N CA -0.738 52.036 53.050 -0.460 0.000 0.788 185 N CB 1.360 39.691 38.487 -0.259 0.000 1.361 185 N HN 0.297 8.677 8.380 -0.000 0.000 0.489 186 V N 1.522 121.099 119.914 -0.562 0.000 2.901 186 V HA 0.172 4.294 4.120 0.003 0.000 0.307 186 V C 1.124 177.187 176.094 -0.053 0.000 1.084 186 V CA -0.251 61.907 62.300 -0.236 0.000 1.184 186 V CB -0.381 31.333 31.823 -0.181 0.000 0.941 186 V HN 0.872 9.062 8.190 -0.000 0.000 0.493 187 L N -0.614 120.636 121.223 0.046 0.000 4.291 187 L HA -0.140 4.202 4.340 0.003 0.000 0.413 187 L C 0.039 176.945 176.870 0.060 0.000 1.162 187 L CA 1.274 56.142 54.840 0.047 0.000 0.961 187 L CB -1.493 40.578 42.059 0.019 0.000 2.095 187 L HN 1.115 9.345 8.230 -0.000 0.000 0.838 188 D N -0.168 120.284 120.400 0.086 0.000 2.481 188 D HA 0.522 5.164 4.640 0.003 0.000 0.246 188 D C 1.001 177.349 176.300 0.080 0.000 1.109 188 D CA 0.402 54.463 54.000 0.103 0.000 0.845 188 D CB 1.775 42.668 40.800 0.156 0.000 1.160 188 D HN 0.085 8.455 8.370 -0.000 0.000 0.534 189 G N 2.004 110.807 108.800 0.004 0.000 3.042 189 G HA2 -0.009 3.953 3.960 0.003 0.000 0.212 189 G HA3 -0.009 3.953 3.960 0.003 0.000 0.212 189 G C 1.390 176.191 174.900 -0.164 0.000 1.166 189 G CA 0.075 45.141 45.100 -0.056 0.000 0.767 189 G HN 0.456 8.746 8.290 -0.000 0.000 0.546 190 V N 1.571 121.391 119.914 -0.157 0.000 2.407 190 V HA -0.084 4.038 4.120 0.003 0.000 0.248 190 V C -0.042 176.049 176.094 -0.005 0.000 1.055 190 V CA 1.736 63.920 62.300 -0.194 0.000 1.049 190 V CB -0.583 31.072 31.823 -0.280 0.000 0.662 190 V HN 0.223 8.413 8.190 -0.000 0.000 0.455 191 P HA -0.019 4.401 4.420 -0.000 0.000 0.234 191 P C 0.950 178.393 177.300 0.240 0.000 1.167 191 P CA 0.946 64.190 63.100 0.239 0.000 0.763 191 P CB -0.079 31.727 31.700 0.176 0.000 0.835 192 N N -1.477 117.260 118.700 0.061 0.000 2.280 192 N HA 0.111 4.853 4.740 0.003 0.000 0.192 192 N C 0.596 176.077 175.510 -0.048 0.000 1.109 192 N CA 0.206 53.290 53.050 0.058 0.000 0.855 192 N CB -0.279 38.252 38.487 0.073 0.000 0.974 192 N HN 0.261 8.641 8.380 -0.000 0.000 0.482 193 M N 0.517 119.936 119.600 -0.302 0.000 2.249 193 M HA -0.064 4.418 4.480 0.003 0.000 0.340 193 M C 0.006 176.051 176.300 -0.424 0.000 1.166 193 M CA 0.414 55.329 55.300 -0.643 0.000 1.115 193 M CB 0.013 31.899 32.600 -1.189 0.000 1.606 193 M HN 0.168 8.458 8.290 -0.000 0.000 0.448 194 Y N -1.097 119.193 120.300 -0.016 0.000 4.729 194 Y HA -0.269 4.283 4.550 0.003 0.000 0.239 194 Y C 1.639 177.489 175.900 -0.083 0.000 1.043 194 Y CA 0.736 58.712 58.100 -0.205 0.000 2.045 194 Y CB -3.006 35.187 38.460 -0.445 0.000 1.599 194 Y HN 0.844 9.124 8.280 -0.000 0.000 0.655 195 S N -1.238 114.527 115.700 0.108 0.000 2.528 195 S HA 0.162 4.634 4.470 0.003 0.000 0.219 195 S C 0.995 175.644 174.600 0.081 0.000 0.985 195 S CA 0.092 58.360 58.200 0.113 0.000 0.914 195 S CB -0.119 63.155 63.200 0.124 0.000 0.776 195 S HN 0.623 8.933 8.310 -0.000 0.000 0.526 196 S N 2.358 118.090 115.700 0.054 0.000 2.568 196 S HA 0.232 4.704 4.470 0.003 0.000 0.282 196 S C -1.825 172.793 174.600 0.029 0.000 1.338 196 S CA -0.827 57.388 58.200 0.024 0.000 1.045 196 S CB 0.326 63.521 63.200 -0.008 0.000 0.873 196 S HN 0.059 8.369 8.310 -0.000 0.000 0.516 197 P HA -0.016 4.404 4.420 -0.000 0.000 0.218 197 P C 1.264 178.581 177.300 0.028 0.000 1.149 197 P CA 0.907 64.027 63.100 0.033 0.000 0.817 197 P CB -0.022 31.693 31.700 0.024 0.000 0.785 198 L N -1.922 119.308 121.223 0.011 0.000 2.291 198 L HA -0.071 4.271 4.340 0.003 0.000 0.214 198 L C 1.969 178.840 176.870 0.001 0.000 1.120 198 L CA 0.910 55.753 54.840 0.005 0.000 0.799 198 L CB -0.299 41.756 42.059 -0.007 0.000 0.925 198 L HN -0.083 8.147 8.230 -0.000 0.000 0.446 199 V N -1.661 118.242 119.914 -0.018 0.000 2.599 199 V HA 0.054 4.176 4.120 0.003 0.000 0.237 199 V C 0.924 177.023 176.094 0.008 0.000 1.081 199 V CA 0.606 62.854 62.300 -0.087 0.000 1.107 199 V CB -0.320 31.374 31.823 -0.216 0.000 0.808 199 V HN 0.560 8.750 8.190 -0.000 0.000 0.486 200 N N -0.186 118.546 118.700 0.054 0.000 2.783 200 N HA -0.174 4.568 4.740 0.003 0.000 0.247 200 N C -0.747 174.977 175.510 0.358 0.000 1.089 200 N CA 0.136 53.287 53.050 0.168 0.000 0.690 200 N CB -1.398 37.172 38.487 0.139 0.000 0.991 200 N HN 0.260 8.640 8.380 -0.000 0.000 0.552 201 F N 0.532 120.549 119.950 0.111 0.000 2.406 201 F HA 0.445 4.975 4.527 0.003 0.000 0.327 201 F C 1.270 177.137 175.800 0.113 0.000 1.153 201 F CA -0.178 57.890 58.000 0.113 0.000 1.218 201 F CB 0.633 39.711 39.000 0.131 0.000 1.215 201 F HN -0.110 8.190 8.300 -0.000 0.000 0.570 202 K N 1.563 122.157 120.400 0.323 0.000 2.397 202 K HA 0.285 4.607 4.320 0.003 0.000 0.253 202 K C -0.466 176.309 176.600 0.292 0.000 0.932 202 K CA -0.681 55.761 56.287 0.259 0.000 0.795 202 K CB 1.769 34.412 32.500 0.238 0.000 1.159 202 K HN 0.538 8.788 8.250 -0.000 0.000 0.424 203 H N 1.567 120.828 119.070 0.318 0.000 2.546 203 H HA 0.242 4.800 4.556 0.004 0.000 0.365 203 H C -0.171 175.355 175.328 0.330 0.000 1.220 203 H CA 0.145 56.386 56.048 0.320 0.000 1.386 203 H CB 0.976 30.867 29.762 0.215 0.000 1.510 203 H HN 0.658 8.938 8.280 -0.000 0.000 0.591 204 Y N -2.046 118.450 120.300 0.326 0.000 2.669 204 Y HA 0.591 5.143 4.550 0.003 0.000 0.335 204 Y C 0.353 176.429 175.900 0.293 0.000 1.116 204 Y CA -0.378 57.831 58.100 0.183 0.000 1.081 204 Y CB 1.018 39.468 38.460 -0.017 0.000 1.297 204 Y HN 0.896 9.176 8.280 -0.000 0.000 0.484 205 G N 0.218 109.129 108.800 0.185 0.000 2.500 205 G HA2 0.124 4.086 3.960 0.003 0.000 0.209 205 G HA3 0.124 4.086 3.960 0.003 0.000 0.209 205 G C -1.276 173.570 174.900 -0.090 0.000 1.283 205 G CA -0.524 44.578 45.100 0.005 0.000 0.960 205 G HN 0.895 9.185 8.290 -0.000 0.000 0.528 206 T N 1.059 115.498 114.554 -0.192 0.000 2.770 206 T HA 0.552 4.904 4.350 0.003 0.000 0.283 206 T C 0.026 174.530 174.700 -0.327 0.000 0.988 206 T CA -0.193 61.765 62.100 -0.236 0.000 0.957 206 T CB 1.689 70.436 68.868 -0.201 0.000 0.930 206 T HN 0.665 8.905 8.240 -0.000 0.000 0.443 207 E N 2.742 122.741 120.200 -0.336 0.000 2.283 207 E HA 0.350 4.702 4.350 0.003 0.000 0.278 207 E C -1.188 175.183 176.600 -0.380 0.000 1.027 207 E CA -0.449 55.795 56.400 -0.260 0.000 0.843 207 E CB 0.639 30.226 29.700 -0.189 0.000 1.062 207 E HN 0.555 8.915 8.360 -0.000 0.000 0.401 208 Y N 2.438 122.759 120.300 0.035 0.000 2.562 208 Y HA 0.470 5.023 4.550 0.005 0.000 0.343 208 Y C -0.974 175.156 175.900 0.383 0.000 1.025 208 Y CA -0.801 57.395 58.100 0.160 0.000 1.082 208 Y CB 1.625 40.134 38.460 0.081 0.000 1.264 208 Y HN 0.493 8.773 8.280 -0.000 0.000 0.478 209 Y N 1.027 121.550 120.300 0.372 0.000 2.513 209 Y HA 0.594 5.146 4.550 0.003 0.000 0.340 209 Y C -0.771 175.220 175.900 0.151 0.000 1.055 209 Y CA -0.670 57.548 58.100 0.196 0.000 1.020 209 Y CB 1.898 40.404 38.460 0.077 0.000 1.301 209 Y HN 0.650 8.930 8.280 -0.000 0.000 0.453 210 S N 1.034 116.506 115.700 -0.381 0.000 2.656 210 S HA 0.504 4.976 4.470 0.003 0.000 0.273 210 S C -0.678 173.650 174.600 -0.453 0.000 1.168 210 S CA -0.183 57.855 58.200 -0.271 0.000 0.817 210 S CB 1.102 64.233 63.200 -0.114 0.000 1.146 210 S HN 0.977 9.287 8.310 -0.000 0.000 0.475 211 S N -0.649 114.908 115.700 -0.238 0.000 2.588 211 S HA 0.587 5.059 4.470 0.003 0.000 0.245 211 S C 1.200 175.712 174.600 -0.146 0.000 1.021 211 S CA 0.188 58.264 58.200 -0.206 0.000 1.006 211 S CB -0.237 62.892 63.200 -0.119 0.000 0.830 211 S HN 2.407 10.717 8.310 -0.000 0.000 0.468 212 G N 0.782 109.504 108.800 -0.130 0.000 2.184 212 G HA2 -0.154 3.808 3.960 0.003 0.000 0.206 212 G HA3 -0.154 3.808 3.960 0.003 0.000 0.206 212 G C 0.111 175.047 174.900 0.060 0.000 0.995 212 G CA 0.005 45.097 45.100 -0.013 0.000 0.651 212 G HN 1.296 9.586 8.290 -0.000 0.000 0.511 213 T N -2.935 111.568 114.554 -0.085 0.000 2.906 213 T HA 0.710 5.062 4.350 0.003 0.000 0.295 213 T C 0.748 174.989 174.700 -0.764 0.000 1.075 213 T CA 0.387 62.242 62.100 -0.409 0.000 1.005 213 T CB 2.600 71.310 68.868 -0.263 0.000 1.136 213 T HN 0.113 8.353 8.240 -0.000 0.000 0.498 214 E N 0.794 120.239 120.200 -1.257 0.000 2.077 214 E HA -0.119 4.233 4.350 0.003 0.000 0.193 214 E C 2.246 178.663 176.600 -0.305 0.000 0.989 214 E CA 1.391 57.239 56.400 -0.920 0.000 0.800 214 E CB -0.512 28.780 29.700 -0.679 0.000 0.746 214 E HN 0.791 9.151 8.360 -0.000 0.000 0.452 215 A N 0.639 123.308 122.820 -0.252 0.000 1.972 215 A HA -0.163 4.159 4.320 0.003 0.000 0.219 215 A C 2.242 179.790 177.584 -0.060 0.000 1.169 215 A CA 1.812 53.777 52.037 -0.120 0.000 0.635 215 A CB -0.537 18.398 19.000 -0.109 0.000 0.810 215 A HN 0.411 8.561 8.150 -0.000 0.000 0.446 216 S N -1.297 114.363 115.700 -0.067 0.000 2.593 216 S HA 0.071 4.543 4.470 0.003 0.000 0.217 216 S C 0.588 175.230 174.600 0.070 0.000 0.966 216 S CA 0.431 58.627 58.200 -0.006 0.000 0.914 216 S CB -0.611 62.568 63.200 -0.035 0.000 0.776 216 S HN 0.299 8.609 8.310 -0.000 0.000 0.523 217 T N 3.633 118.256 114.554 0.114 0.000 2.814 217 T HA 0.494 4.846 4.350 0.003 0.000 0.297 217 T C -0.018 174.823 174.700 0.235 0.000 0.956 217 T CA -0.232 62.023 62.100 0.259 0.000 1.123 217 T CB 1.047 70.141 68.868 0.377 0.000 0.902 217 T HN 0.441 8.681 8.240 -0.000 0.000 0.528 218 V N 1.314 121.398 119.914 0.282 0.000 2.864 218 V HA 0.695 4.817 4.120 0.003 0.000 0.314 218 V C -0.411 175.820 176.094 0.229 0.000 1.073 218 V CA -1.366 61.062 62.300 0.214 0.000 0.956 218 V CB 1.994 33.906 31.823 0.150 0.000 1.023 218 V HN 0.742 8.932 8.190 -0.000 0.000 0.435 219 K N 2.082 122.540 120.400 0.096 0.000 2.234 219 K HA 0.554 4.876 4.320 0.003 0.000 0.277 219 K C -0.773 175.724 176.600 -0.171 0.000 1.038 219 K CA -0.443 55.743 56.287 -0.168 0.000 0.888 219 K CB 0.943 33.371 32.500 -0.120 0.000 1.091 219 K HN 0.985 9.235 8.250 -0.000 0.000 0.467 220 c N 3.328 121.774 118.600 -0.256 0.000 2.459 220 c HA 0.275 4.847 4.570 0.003 0.000 0.374 220 c C -0.143 173.851 174.090 -0.160 0.000 1.241 220 c CA -0.769 55.458 56.329 -0.171 0.000 2.352 220 c CB 0.262 42.668 42.510 -0.173 0.000 2.490 220 c HN 0.749 8.979 8.230 -0.000 0.000 0.583 221 E N 1.021 121.157 120.200 -0.107 0.000 2.115 221 E HA 0.493 4.846 4.350 0.003 0.000 0.282 221 E C 0.677 177.238 176.600 -0.066 0.000 0.987 221 E CA 0.376 56.728 56.400 -0.079 0.000 0.797 221 E CB 0.874 30.542 29.700 -0.053 0.000 1.086 221 E HN 1.057 9.417 8.360 -0.000 0.000 0.397 222 G N 2.743 111.509 108.800 -0.057 0.000 2.645 222 G HA2 -0.306 3.656 3.960 0.003 0.000 0.239 222 G HA3 -0.306 3.656 3.960 0.003 0.000 0.239 222 G C 0.460 175.340 174.900 -0.033 0.000 1.331 222 G CA -0.427 44.656 45.100 -0.028 0.000 0.890 222 G HN 0.497 8.787 8.290 -0.000 0.000 0.572 223 Q N -0.187 119.619 119.800 0.010 0.000 2.302 223 Q HA 0.103 4.446 4.340 0.003 0.000 0.202 223 Q C 1.741 177.750 176.000 0.015 0.000 0.936 223 Q CA 1.071 56.892 55.803 0.031 0.000 0.886 223 Q CB 0.270 29.087 28.738 0.132 0.000 0.986 223 Q HN 0.489 8.759 8.270 -0.000 0.000 0.487 224 R N 1.454 121.964 120.500 0.017 0.000 2.772 224 R HA 0.183 4.525 4.340 0.003 0.000 0.358 224 R C -0.670 175.614 176.300 -0.026 0.000 1.143 224 R CA -0.323 55.787 56.100 0.016 0.000 1.153 224 R CB 0.221 30.559 30.300 0.063 0.000 1.329 224 R HN 0.078 8.348 8.270 -0.000 0.000 0.615 225 D N 1.643 122.004 120.400 -0.065 0.000 2.487 225 D HA -0.039 4.603 4.640 0.003 0.000 0.243 225 D C 0.708 176.945 176.300 -0.105 0.000 1.154 225 D CA 0.307 54.257 54.000 -0.083 0.000 0.876 225 D CB 1.062 41.796 40.800 -0.111 0.000 1.161 225 D HN -0.165 8.205 8.370 -0.000 0.000 0.478 226 K N 1.947 122.301 120.400 -0.076 0.000 2.504 226 K HA 0.008 4.331 4.320 0.003 0.000 0.195 226 K C 1.424 177.962 176.600 -0.104 0.000 1.036 226 K CA 0.208 56.450 56.287 -0.075 0.000 0.984 226 K CB 0.114 32.590 32.500 -0.039 0.000 0.788 226 K HN 0.219 8.469 8.250 -0.000 0.000 0.488 227 S N 0.111 115.737 115.700 -0.124 0.000 2.558 227 S HA 0.026 4.498 4.470 0.003 0.000 0.217 227 S C 1.034 175.445 174.600 -0.316 0.000 0.975 227 S CA -0.135 57.981 58.200 -0.140 0.000 0.912 227 S CB 0.049 63.201 63.200 -0.081 0.000 0.776 227 S HN 0.248 8.558 8.310 -0.000 0.000 0.526 228 c N 0.386 118.706 118.600 -0.467 0.000 3.462 228 c HA 0.384 4.956 4.570 0.003 0.000 0.298 228 c C 2.565 176.118 174.090 -0.896 0.000 3.205 228 c CA -0.031 55.665 56.329 -1.056 0.000 1.845 228 c CB 0.270 42.410 42.510 -0.616 0.000 3.397 228 c HN 0.480 8.710 8.230 -0.000 0.000 0.473 229 S N 1.808 117.135 115.700 -0.622 0.000 2.365 229 S HA -0.190 4.282 4.470 0.003 0.000 0.225 229 S C 1.810 176.363 174.600 -0.078 0.000 1.039 229 S CA 1.787 59.900 58.200 -0.144 0.000 1.033 229 S CB -1.072 62.158 63.200 0.050 0.000 0.887 229 S HN 0.952 9.262 8.310 -0.000 0.000 0.447 230 A N 1.637 124.408 122.820 -0.081 0.000 2.024 230 A HA 0.192 4.514 4.320 0.003 0.000 0.220 230 A C 2.185 179.759 177.584 -0.018 0.000 1.164 230 A CA 1.487 53.516 52.037 -0.013 0.000 0.643 230 A CB -1.330 17.668 19.000 -0.004 0.000 0.806 230 A HN 0.728 8.878 8.150 -0.000 0.000 0.451 231 G N -0.157 108.606 108.800 -0.062 0.000 3.189 231 G HA2 0.047 4.009 3.960 0.003 0.000 0.225 231 G HA3 0.047 4.009 3.960 0.003 0.000 0.225 231 G C 0.801 175.694 174.900 -0.013 0.000 1.159 231 G CA 0.648 45.726 45.100 -0.038 0.000 0.763 231 G HN 0.697 8.987 8.290 -0.000 0.000 0.549 232 N N 0.103 118.806 118.700 0.006 0.000 2.398 232 N HA 0.156 4.898 4.740 0.003 0.000 0.188 232 N C 1.609 177.153 175.510 0.058 0.000 1.122 232 N CA 0.545 53.627 53.050 0.053 0.000 0.866 232 N CB -0.157 38.407 38.487 0.127 0.000 0.970 232 N HN 0.301 8.681 8.380 -0.000 0.000 0.462 233 G N -0.586 108.243 108.800 0.048 0.000 2.168 233 G HA2 -0.261 3.701 3.960 0.003 0.000 0.263 233 G HA3 -0.261 3.701 3.960 0.003 0.000 0.263 233 G C -0.139 174.800 174.900 0.065 0.000 0.977 233 G CA 0.703 45.832 45.100 0.049 0.000 0.659 233 G HN 0.292 8.582 8.290 -0.000 0.000 0.533 234 M N -0.881 118.767 119.600 0.079 0.000 2.537 234 M HA 0.693 5.175 4.480 0.003 0.000 0.324 234 M C -0.473 175.902 176.300 0.126 0.000 1.187 234 M CA -1.098 54.254 55.300 0.087 0.000 0.993 234 M CB 1.666 34.306 32.600 0.066 0.000 1.666 234 M HN 0.205 8.495 8.290 -0.000 0.000 0.461 235 Y N 0.660 120.947 120.300 -0.023 0.000 2.421 235 Y HA 0.575 5.128 4.550 0.004 0.000 0.339 235 Y C 0.127 175.980 175.900 -0.078 0.000 0.996 235 Y CA 0.322 58.390 58.100 -0.053 0.000 1.046 235 Y CB 1.255 39.680 38.460 -0.058 0.000 1.226 235 Y HN 1.071 9.351 8.280 -0.000 0.000 0.445 236 A N 1.982 124.320 122.820 -0.803 0.000 5.949 236 A HA -0.242 4.080 4.320 0.003 0.000 0.275 236 A C -0.990 176.404 177.584 -0.317 0.000 2.055 236 A CA 0.493 52.168 52.037 -0.603 0.000 0.713 236 A CB -2.028 16.667 19.000 -0.508 0.000 1.146 236 A HN 1.166 9.316 8.150 -0.000 0.000 0.370 237 V N 2.236 122.006 119.914 -0.240 0.000 2.326 237 V HA 0.464 4.586 4.120 0.003 0.000 0.249 237 V C 0.958 177.023 176.094 -0.048 0.000 1.114 237 V CA 0.705 62.897 62.300 -0.179 0.000 1.028 237 V CB -0.790 30.958 31.823 -0.124 0.000 1.170 237 V HN 1.399 9.589 8.190 -0.000 0.000 0.494 238 T N 2.813 117.359 114.554 -0.013 0.000 2.938 238 T HA 0.508 4.860 4.350 0.003 0.000 0.285 238 T C -1.914 172.824 174.700 0.063 0.000 1.028 238 T CA -2.122 59.994 62.100 0.027 0.000 1.005 238 T CB 1.919 70.802 68.868 0.025 0.000 1.157 238 T HN 0.213 8.453 8.240 -0.000 0.000 0.550 239 P HA 0.053 4.473 4.420 -0.000 0.000 0.218 239 P C 1.691 179.021 177.300 0.050 0.000 1.148 239 P CA 1.096 64.222 63.100 0.043 0.000 0.822 239 P CB -0.417 31.298 31.700 0.024 0.000 0.784 240 G N -1.512 107.319 108.800 0.052 0.000 2.559 240 G HA2 -0.253 3.709 3.960 0.003 0.000 0.216 240 G HA3 -0.253 3.709 3.960 0.003 0.000 0.216 240 G C 1.413 176.365 174.900 0.087 0.000 1.126 240 G CA 0.409 45.530 45.100 0.036 0.000 0.778 240 G HN 0.314 8.604 8.290 -0.000 0.000 0.543 241 H N 0.333 119.423 119.070 0.034 0.000 2.421 241 H HA 0.082 4.641 4.556 0.004 0.000 0.298 241 H C 2.124 177.554 175.328 0.170 0.000 1.087 241 H CA 1.005 57.103 56.048 0.083 0.000 1.330 241 H CB -0.090 29.708 29.762 0.059 0.000 1.388 241 H HN 0.333 8.613 8.280 -0.000 0.000 0.526 242 I N -0.187 120.399 120.570 0.026 0.000 3.001 242 I HA 0.090 4.262 4.170 0.003 0.000 0.268 242 I C 0.437 176.459 176.117 -0.157 0.000 1.267 242 I CA 0.414 61.662 61.300 -0.086 0.000 1.472 242 I CB -0.186 37.775 38.000 -0.065 0.000 1.089 242 I HN 0.328 8.538 8.210 -0.000 0.000 0.468 243 A N -0.614 122.154 122.820 -0.087 0.000 2.380 243 A HA 0.758 5.080 4.320 0.003 0.000 0.315 243 A C -0.582 176.951 177.584 -0.086 0.000 1.101 243 A CA -0.399 51.572 52.037 -0.109 0.000 0.771 243 A CB 1.607 20.556 19.000 -0.085 0.000 1.287 243 A HN 0.067 8.217 8.150 -0.000 0.000 0.436 244 S N -0.103 115.543 115.700 -0.090 0.000 2.603 244 S HA 0.542 5.014 4.470 0.003 0.000 0.274 244 S C -0.912 173.664 174.600 -0.040 0.000 1.168 244 S CA -0.446 57.706 58.200 -0.079 0.000 0.963 244 S CB -0.079 63.201 63.200 0.134 0.000 1.078 244 S HN 1.307 9.617 8.310 -0.000 0.000 0.477 245 F N 2.652 122.598 119.950 -0.006 0.000 3.004 245 F HA -0.206 4.325 4.527 0.007 0.000 0.264 245 F C 1.534 177.446 175.800 0.187 0.000 0.979 245 F CA 1.369 59.396 58.000 0.044 0.000 0.896 245 F CB -1.599 37.265 39.000 -0.226 0.000 0.813 245 F HN 1.147 9.447 8.300 -0.000 0.000 0.804 246 G N -1.789 107.109 108.800 0.163 0.000 2.176 246 G HA2 -0.151 3.811 3.960 0.003 0.000 0.253 246 G HA3 -0.151 3.811 3.960 0.003 0.000 0.253 246 G C -0.168 174.821 174.900 0.149 0.000 0.979 246 G CA -0.141 45.085 45.100 0.211 0.000 0.641 246 G HN 0.780 9.070 8.290 -0.000 0.000 0.530 247 V N 1.284 121.231 119.914 0.055 0.000 2.409 247 V HA 0.579 4.701 4.120 0.003 0.000 0.291 247 V C 0.553 176.600 176.094 -0.078 0.000 1.020 247 V CA -0.874 61.406 62.300 -0.033 0.000 0.848 247 V CB 1.881 33.622 31.823 -0.136 0.000 0.990 247 V HN 0.235 8.425 8.190 -0.000 0.000 0.430 248 V N 6.158 126.029 119.914 -0.072 0.000 2.432 248 V HA 0.257 4.379 4.120 0.003 0.000 0.271 248 V C 0.644 176.652 176.094 -0.143 0.000 1.046 248 V CA -0.535 61.701 62.300 -0.107 0.000 0.945 248 V CB 1.171 32.951 31.823 -0.071 0.000 0.992 248 V HN 0.749 8.939 8.190 -0.000 0.000 0.471 249 M N 5.386 124.840 119.600 -0.243 0.000 2.248 249 M HA 0.109 4.591 4.480 0.003 0.000 0.343 249 M C 1.057 177.232 176.300 -0.207 0.000 1.243 249 M CA 0.745 55.872 55.300 -0.288 0.000 1.025 249 M CB -0.550 31.692 32.600 -0.597 0.000 1.759 249 M HN 0.688 8.978 8.290 -0.000 0.000 0.452 250 L N 0.537 121.701 121.223 -0.100 0.000 4.800 250 L HA -0.300 4.042 4.340 0.003 0.000 0.400 250 L C 1.303 178.168 176.870 -0.007 0.000 0.857 250 L CA 1.241 56.061 54.840 -0.034 0.000 1.908 250 L CB -1.804 40.211 42.059 -0.074 0.000 1.598 250 L HN 0.945 9.175 8.230 -0.000 0.000 0.593 251 T N -4.281 110.263 114.554 -0.016 0.000 3.023 251 T HA 0.458 4.810 4.350 0.003 0.000 0.253 251 T C 1.422 176.141 174.700 0.032 0.000 1.038 251 T CA 0.525 62.627 62.100 0.003 0.000 0.962 251 T CB 0.615 69.476 68.868 -0.011 0.000 1.018 251 T HN 0.333 8.573 8.240 -0.000 0.000 0.521 252 A N 1.391 124.241 122.820 0.050 0.000 2.066 252 A HA 0.535 4.857 4.320 0.003 0.000 0.218 252 A C 1.889 179.586 177.584 0.189 0.000 1.157 252 A CA 0.996 53.103 52.037 0.117 0.000 0.670 252 A CB -1.366 17.697 19.000 0.105 0.000 0.804 252 A HN 1.346 9.496 8.150 -0.000 0.000 0.453 253 G N -2.000 106.854 108.800 0.091 0.000 2.552 253 G HA2 -0.300 3.662 3.960 0.003 0.000 0.265 253 G HA3 -0.300 3.662 3.960 0.003 0.000 0.265 253 G C 0.625 175.400 174.900 -0.208 0.000 1.234 253 G CA 0.167 45.250 45.100 -0.029 0.000 0.944 253 G HN 0.896 9.186 8.290 -0.000 0.000 0.568 254 c N 0.355 118.557 118.600 -0.663 0.000 3.724 254 c HA 0.632 5.204 4.570 0.003 0.000 0.327 254 c C 1.907 174.967 174.090 -1.717 0.000 1.490 254 c CA 0.838 56.435 56.329 -1.221 0.000 1.825 254 c CB -0.211 41.369 42.510 -1.550 0.000 2.613 254 c HN 2.682 10.912 8.230 -0.000 0.000 0.692 255 G N 0.620 108.666 108.800 -1.257 0.000 2.160 255 G HA2 -0.340 3.622 3.960 0.003 0.000 0.251 255 G HA3 -0.340 3.622 3.960 0.003 0.000 0.251 255 G C 0.275 174.967 174.900 -0.346 0.000 1.008 255 G CA 0.624 45.313 45.100 -0.685 0.000 0.724 255 G HN 0.452 8.742 8.290 -0.000 0.000 0.514 256 Y N -0.302 119.858 120.300 -0.233 0.000 2.207 256 Y HA 0.051 4.603 4.550 0.003 0.000 0.287 256 Y C 2.600 178.446 175.900 -0.091 0.000 1.156 256 Y CA 1.719 59.727 58.100 -0.152 0.000 1.182 256 Y CB -0.128 38.260 38.460 -0.121 0.000 0.979 256 Y HN 0.421 8.701 8.280 -0.000 0.000 0.521 257 L N -0.868 120.407 121.223 0.087 0.000 2.872 257 L HA 0.232 4.574 4.340 0.003 0.000 0.245 257 L C 0.295 177.187 176.870 0.038 0.000 1.211 257 L CA -0.173 54.700 54.840 0.056 0.000 1.013 257 L CB -0.167 41.923 42.059 0.053 0.000 1.326 257 L HN -0.057 8.173 8.230 -0.000 0.000 0.525 258 S N 0.000 115.718 115.700 0.030 0.000 2.498 258 S HA 0.000 4.472 4.470 0.003 0.000 0.327 258 S CA 0.000 58.224 58.200 0.041 0.000 1.107 258 S CB 0.000 63.244 63.200 0.073 0.000 0.593 258 S HN 0.000 8.310 8.310 -0.000 0.000 0.517