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 2hvy_1_A DATA FIRST_RESID 11 DATA SEQUENCE RILPADIKRE VLIKDENAET NPDWGFPPEK RPIEMHIQFG VINLDKPPGP DATA SEQUENCE TSHEVVAWIK KILNLEKAGH GGTLDPKVSG VLPVALEKAT RVVQALLPAG DATA SEQUENCE KEYVALMHLH GDVPEDKIIQ VMKEFEGEII QRPPLXXXXX XXLRTRKVYY DATA SEQUENCE IEVLEIEGRD VLFRVGVEAG TYIRSLIHHI GLALGVGAHM SELRRTRSGP DATA SEQUENCE FKEDETLITL HDLVDYYYFW KEDGIEEYFR KAIQPMEKAV EHLPKVWIKD DATA SEQUENCE SAVAAVTHGA DLAVPGIAKL HAGIKRGDLV AIMTLKDELV ALGKAMMTSQ DATA SEQUENCE EMLEKTKGIA VDVEKVFMPR DWYPKLW 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 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.068 176.300 -0.386 0.000 0.893 11 R CA 0.000 55.676 56.100 -0.706 0.000 0.921 11 R CB 0.000 29.965 30.300 -0.558 0.000 0.687 12 I N 0.586 121.035 120.570 -0.201 0.000 2.499 12 I HA 0.515 4.687 4.170 0.004 0.000 0.288 12 I C -1.038 175.147 176.117 0.113 0.000 1.048 12 I CA -1.077 60.221 61.300 -0.004 0.000 1.062 12 I CB 1.909 39.896 38.000 -0.021 0.000 1.238 12 I HN -0.020 8.190 8.210 -0.000 0.000 0.426 13 L N 7.503 128.748 121.223 0.037 0.000 2.375 13 L HA 0.576 4.918 4.340 0.004 0.000 0.268 13 L C -1.558 175.174 176.870 -0.230 0.000 1.058 13 L CA -1.978 52.759 54.840 -0.173 0.000 0.803 13 L CB 0.747 42.762 42.059 -0.073 0.000 1.212 13 L HN 0.410 8.640 8.230 -0.000 0.000 0.451 14 P HA -0.109 4.311 4.420 -0.000 0.000 0.224 14 P C 0.674 177.920 177.300 -0.091 0.000 1.142 14 P CA 1.045 64.026 63.100 -0.198 0.000 0.778 14 P CB 0.246 31.833 31.700 -0.188 0.000 0.764 15 A N -0.946 121.834 122.820 -0.067 0.000 2.169 15 A HA -0.065 4.257 4.320 0.004 0.000 0.212 15 A C 1.734 179.306 177.584 -0.021 0.000 1.153 15 A CA 1.066 53.099 52.037 -0.006 0.000 0.756 15 A CB -0.454 18.555 19.000 0.016 0.000 0.813 15 A HN 0.051 8.201 8.150 -0.000 0.000 0.471 16 D N 0.047 120.424 120.400 -0.039 0.000 2.277 16 D HA 0.083 4.726 4.640 0.004 0.000 0.209 16 D C 0.922 177.203 176.300 -0.031 0.000 0.970 16 D CA 0.238 54.219 54.000 -0.031 0.000 0.874 16 D CB -0.131 40.652 40.800 -0.029 0.000 0.982 16 D HN 0.647 9.017 8.370 -0.000 0.000 0.504 17 I N 1.219 121.764 120.570 -0.041 0.000 2.505 17 I HA 0.094 4.266 4.170 0.004 0.000 0.287 17 I C 0.311 176.404 176.117 -0.040 0.000 1.104 17 I CA -0.826 60.453 61.300 -0.035 0.000 1.387 17 I CB 0.052 38.032 38.000 -0.034 0.000 1.404 17 I HN -0.229 7.981 8.210 -0.000 0.000 0.528 18 K N 6.578 126.963 120.400 -0.025 0.000 2.436 18 K HA 0.331 4.653 4.320 0.004 0.000 0.275 18 K C -0.527 176.056 176.600 -0.027 0.000 0.999 18 K CA -0.385 55.891 56.287 -0.019 0.000 0.980 18 K CB 0.743 33.249 32.500 0.010 0.000 0.919 18 K HN 0.659 8.909 8.250 -0.000 0.000 0.484 19 R N 1.727 122.194 120.500 -0.055 0.000 2.604 19 R HA 0.124 4.467 4.340 0.004 0.000 0.287 19 R C -0.469 175.907 176.300 0.127 0.000 0.970 19 R CA -0.852 55.230 56.100 -0.031 0.000 0.946 19 R CB 1.498 31.656 30.300 -0.237 0.000 1.127 19 R HN 0.742 9.012 8.270 -0.000 0.000 0.473 20 E N 1.654 121.931 120.200 0.128 0.000 2.360 20 E HA 0.082 4.435 4.350 0.004 0.000 0.269 20 E C -0.848 175.881 176.600 0.214 0.000 1.022 20 E CA -0.312 56.169 56.400 0.134 0.000 0.887 20 E CB 0.977 30.725 29.700 0.079 0.000 0.990 20 E HN 0.187 8.547 8.360 -0.000 0.000 0.426 21 V N 6.679 126.675 119.914 0.136 0.000 2.368 21 V HA 0.169 4.291 4.120 0.004 0.000 0.266 21 V C 0.130 176.236 176.094 0.021 0.000 1.045 21 V CA -0.407 61.930 62.300 0.062 0.000 0.899 21 V CB 0.507 32.255 31.823 -0.123 0.000 1.006 21 V HN 0.569 8.759 8.190 -0.000 0.000 0.470 22 L N 6.025 127.281 121.223 0.055 0.000 2.305 22 L HA 0.466 4.809 4.340 0.004 0.000 0.281 22 L C -0.209 176.670 176.870 0.015 0.000 1.085 22 L CA -0.385 54.477 54.840 0.037 0.000 0.813 22 L CB 0.891 42.986 42.059 0.059 0.000 1.157 22 L HN 0.393 8.623 8.230 -0.000 0.000 0.436 23 I N 3.518 124.085 120.570 -0.005 0.000 2.315 23 I HA 0.151 4.323 4.170 0.004 0.000 0.291 23 I C 0.760 176.880 176.117 0.004 0.000 1.006 23 I CA 0.064 61.355 61.300 -0.016 0.000 1.265 23 I CB 1.265 39.244 38.000 -0.035 0.000 1.387 23 I HN 0.770 8.980 8.210 -0.000 0.000 0.475 24 K N 3.346 123.755 120.400 0.015 0.000 2.190 24 K HA 0.016 4.338 4.320 0.004 0.000 0.202 24 K C 0.027 176.637 176.600 0.016 0.000 1.045 24 K CA 0.589 56.889 56.287 0.022 0.000 0.976 24 K CB 0.475 32.996 32.500 0.035 0.000 0.849 24 K HN 0.538 8.788 8.250 -0.000 0.000 0.468 25 D N 0.748 121.157 120.400 0.015 0.000 2.462 25 D HA 0.097 4.740 4.640 0.004 0.000 0.245 25 D C -0.308 175.991 176.300 -0.001 0.000 1.122 25 D CA -0.141 53.866 54.000 0.012 0.000 0.864 25 D CB 1.641 42.456 40.800 0.024 0.000 1.098 25 D HN 0.033 8.403 8.370 -0.000 0.000 0.541 26 E N 1.524 121.720 120.200 -0.006 0.000 2.274 26 E HA -0.020 4.332 4.350 0.004 0.000 0.194 26 E C 0.697 177.289 176.600 -0.015 0.000 0.996 26 E CA 0.682 57.072 56.400 -0.016 0.000 0.840 26 E CB 0.124 29.815 29.700 -0.015 0.000 0.772 26 E HN 0.311 8.671 8.360 -0.000 0.000 0.491 27 N N 0.532 119.229 118.700 -0.004 0.000 2.276 27 N HA 0.164 4.906 4.740 0.004 0.000 0.212 27 N C -0.625 174.889 175.510 0.006 0.000 1.127 27 N CA 0.121 53.170 53.050 -0.001 0.000 0.834 27 N CB 0.568 39.057 38.487 0.003 0.000 1.014 27 N HN 0.052 8.432 8.380 -0.000 0.000 0.491 28 A N 0.843 123.667 122.820 0.007 0.000 2.454 28 A HA 0.201 4.524 4.320 0.004 0.000 0.260 28 A C 0.374 177.968 177.584 0.015 0.000 1.106 28 A CA 0.046 52.095 52.037 0.021 0.000 0.780 28 A CB 0.415 19.430 19.000 0.025 0.000 1.044 28 A HN 0.268 8.418 8.150 -0.000 0.000 0.498 29 E N 1.418 121.636 120.200 0.031 0.000 2.293 29 E HA 0.488 4.840 4.350 0.004 0.000 0.270 29 E C -1.051 175.580 176.600 0.052 0.000 0.879 29 E CA -0.470 55.943 56.400 0.022 0.000 0.756 29 E CB 1.885 31.587 29.700 0.004 0.000 1.208 29 E HN 0.549 8.909 8.360 -0.000 0.000 0.428 30 T N 2.388 116.968 114.554 0.043 0.000 2.824 30 T HA 0.245 4.597 4.350 0.004 0.000 0.280 30 T C -0.536 174.159 174.700 -0.009 0.000 0.995 30 T CA -0.737 61.413 62.100 0.084 0.000 1.009 30 T CB 0.685 69.627 68.868 0.124 0.000 0.955 30 T HN 0.412 8.652 8.240 -0.000 0.000 0.452 31 N N 5.289 123.957 118.700 -0.053 0.000 2.408 31 N HA 0.268 5.010 4.740 0.004 0.000 0.257 31 N C -1.430 173.863 175.510 -0.362 0.000 1.064 31 N CA -2.216 50.623 53.050 -0.351 0.000 0.952 31 N CB 1.652 39.607 38.487 -0.885 0.000 1.093 31 N HN 0.380 8.760 8.380 -0.000 0.000 0.490 32 P HA -0.064 4.356 4.420 -0.000 0.000 0.225 32 P C 0.162 177.240 177.300 -0.370 0.000 1.148 32 P CA 0.795 63.733 63.100 -0.271 0.000 0.779 32 P CB 0.525 32.099 31.700 -0.210 0.000 0.780 33 D N -1.289 118.784 120.400 -0.546 0.000 2.218 33 D HA -0.096 4.546 4.640 0.004 0.000 0.204 33 D C 0.587 176.615 176.300 -0.452 0.000 0.976 33 D CA 0.967 54.629 54.000 -0.564 0.000 0.853 33 D CB -0.193 40.143 40.800 -0.773 0.000 0.939 33 D HN 0.264 8.634 8.370 -0.000 0.000 0.481 34 W N 0.310 121.374 121.300 -0.394 0.000 2.627 34 W HA 0.581 5.243 4.660 0.003 0.000 0.339 34 W C 0.869 176.893 176.519 -0.825 0.000 1.058 34 W CA -1.080 55.868 57.345 -0.662 0.000 1.223 34 W CB 0.589 29.537 29.460 -0.852 0.000 1.389 34 W HN 0.063 8.243 8.180 -0.000 0.000 0.541 35 G N 0.992 109.404 108.800 -0.646 0.000 2.699 35 G HA2 -0.097 3.865 3.960 0.004 0.000 0.686 35 G HA3 -0.097 3.865 3.960 0.004 0.000 0.686 35 G C -1.840 172.574 174.900 -0.809 0.000 1.301 35 G CA -1.171 43.686 45.100 -0.405 0.000 0.816 35 G HN 0.307 8.597 8.290 -0.000 0.000 0.595 36 F N 1.205 120.799 119.950 -0.594 0.000 2.676 36 F HA 0.457 4.986 4.527 0.004 0.000 0.371 36 F C -1.987 173.689 175.800 -0.206 0.000 1.141 36 F CA -1.572 56.075 58.000 -0.588 0.000 1.133 36 F CB 2.327 40.675 39.000 -1.087 0.000 1.376 36 F HN 0.254 8.554 8.300 -0.000 0.000 0.491 37 P HA 0.109 4.529 4.420 -0.000 0.000 0.269 37 P C -2.001 175.373 177.300 0.122 0.000 1.215 37 P CA -1.120 62.044 63.100 0.108 0.000 0.780 37 P CB 0.518 32.256 31.700 0.063 0.000 0.898 38 P HA -0.225 4.195 4.420 -0.000 0.000 0.217 38 P C 1.056 178.424 177.300 0.114 0.000 1.151 38 P CA 1.640 64.838 63.100 0.163 0.000 0.849 38 P CB -0.033 31.757 31.700 0.151 0.000 0.787 39 E N -0.768 119.473 120.200 0.068 0.000 2.106 39 E HA -0.126 4.226 4.350 0.004 0.000 0.192 39 E C 1.448 178.057 176.600 0.014 0.000 0.984 39 E CA 1.128 57.542 56.400 0.024 0.000 0.806 39 E CB -0.470 29.238 29.700 0.013 0.000 0.750 39 E HN 0.191 8.551 8.360 -0.000 0.000 0.458 40 K N 0.346 120.770 120.400 0.039 0.000 2.699 40 K HA 0.206 4.528 4.320 0.004 0.000 0.210 40 K C -0.583 176.090 176.600 0.121 0.000 1.076 40 K CA -0.174 56.141 56.287 0.047 0.000 1.109 40 K CB 0.322 32.828 32.500 0.009 0.000 0.862 40 K HN -0.113 8.137 8.250 -0.000 0.000 0.470 41 R N 1.590 122.160 120.500 0.117 0.000 2.265 41 R HA 0.215 4.558 4.340 0.004 0.000 0.314 41 R C -2.434 173.920 176.300 0.090 0.000 1.053 41 R CA -1.893 54.290 56.100 0.137 0.000 0.931 41 R CB 0.698 31.122 30.300 0.207 0.000 1.024 41 R HN 0.069 8.339 8.270 -0.000 0.000 0.457 42 P HA -0.042 4.378 4.420 -0.000 0.000 0.269 42 P C 0.733 178.092 177.300 0.099 0.000 1.215 42 P CA -0.216 62.929 63.100 0.075 0.000 0.780 42 P CB 0.537 32.285 31.700 0.080 0.000 0.898 43 I N 1.858 122.463 120.570 0.059 0.000 2.185 43 I HA -0.330 3.842 4.170 0.004 0.000 0.246 43 I C 1.692 177.885 176.117 0.126 0.000 1.088 43 I CA 2.052 63.365 61.300 0.021 0.000 1.347 43 I CB -0.398 37.489 38.000 -0.189 0.000 1.041 43 I HN 0.354 8.564 8.210 -0.000 0.000 0.415 44 E N -0.187 120.126 120.200 0.188 0.000 2.077 44 E HA -0.268 4.084 4.350 0.004 0.000 0.193 44 E C 2.234 178.949 176.600 0.191 0.000 0.989 44 E CA 1.940 58.478 56.400 0.230 0.000 0.800 44 E CB -0.445 29.394 29.700 0.231 0.000 0.746 44 E HN 0.584 8.944 8.360 -0.000 0.000 0.452 45 M N -0.204 119.514 119.600 0.196 0.000 2.200 45 M HA -0.174 4.309 4.480 0.004 0.000 0.265 45 M C 2.283 178.806 176.300 0.371 0.000 1.066 45 M CA 1.518 56.984 55.300 0.277 0.000 1.127 45 M CB -0.111 32.607 32.600 0.196 0.000 1.379 45 M HN 0.260 8.550 8.290 -0.000 0.000 0.420 46 H N 0.519 119.696 119.070 0.180 0.000 2.352 46 H HA -0.158 4.400 4.556 0.004 0.000 0.299 46 H C 1.831 177.230 175.328 0.118 0.000 1.097 46 H CA 2.295 58.431 56.048 0.148 0.000 1.311 46 H CB -0.090 29.701 29.762 0.048 0.000 1.377 46 H HN 0.455 8.735 8.280 -0.000 0.000 0.504 47 I N 0.878 121.475 120.570 0.044 0.000 2.252 47 I HA -0.260 3.912 4.170 0.004 0.000 0.245 47 I C 2.719 178.809 176.117 -0.046 0.000 1.102 47 I CA 0.810 62.101 61.300 -0.016 0.000 1.385 47 I CB -0.312 37.773 38.000 0.143 0.000 1.064 47 I HN 0.252 8.462 8.210 -0.000 0.000 0.414 48 Q N 0.440 120.208 119.800 -0.054 0.000 2.181 48 Q HA -0.132 4.211 4.340 0.004 0.000 0.205 48 Q C 0.805 176.479 176.000 -0.544 0.000 0.980 48 Q CA 1.599 57.215 55.803 -0.311 0.000 0.862 48 Q CB -0.128 28.357 28.738 -0.422 0.000 0.905 48 Q HN 0.499 8.769 8.270 -0.000 0.000 0.429 49 F N -0.373 119.595 119.950 0.031 0.000 2.893 49 F HA 0.439 4.968 4.527 0.004 0.000 0.340 49 F C 0.813 176.579 175.800 -0.057 0.000 1.300 49 F CA -0.571 57.443 58.000 0.024 0.000 1.227 49 F CB 0.713 39.773 39.000 0.101 0.000 1.044 49 F HN -0.210 8.090 8.300 -0.000 0.000 0.512 50 G N -0.050 108.735 108.800 -0.026 0.000 2.489 50 G HA2 0.684 4.647 3.960 0.004 0.000 0.327 50 G HA3 0.684 4.647 3.960 0.004 0.000 0.327 50 G C -1.545 173.312 174.900 -0.071 0.000 1.189 50 G CA -0.825 44.196 45.100 -0.132 0.000 0.962 50 G HN -0.054 8.236 8.290 -0.000 0.000 0.486 51 V N 1.349 121.231 119.914 -0.053 0.000 2.569 51 V HA 0.332 4.454 4.120 0.004 0.000 0.301 51 V C -0.271 175.792 176.094 -0.052 0.000 1.044 51 V CA -0.537 61.739 62.300 -0.040 0.000 0.874 51 V CB 1.578 33.429 31.823 0.046 0.000 1.002 51 V HN 0.660 8.850 8.190 -0.000 0.000 0.424 52 I N 3.702 124.212 120.570 -0.100 0.000 2.416 52 I HA 0.248 4.420 4.170 0.004 0.000 0.288 52 I C 0.846 176.880 176.117 -0.139 0.000 1.051 52 I CA 0.164 61.415 61.300 -0.082 0.000 1.375 52 I CB 0.542 38.504 38.000 -0.064 0.000 1.407 52 I HN 0.673 8.883 8.210 -0.000 0.000 0.516 53 N N 7.184 125.853 118.700 -0.050 0.000 2.807 53 N HA 0.188 4.931 4.740 0.004 0.000 0.259 53 N C -0.834 174.662 175.510 -0.023 0.000 1.149 53 N CA -0.554 52.464 53.050 -0.054 0.000 1.042 53 N CB 0.430 39.019 38.487 0.170 0.000 1.367 53 N HN 0.414 8.794 8.380 -0.000 0.000 0.516 54 L N 2.501 123.683 121.223 -0.068 0.000 2.312 54 L HA 0.243 4.585 4.340 0.004 0.000 0.281 54 L C -0.125 176.737 176.870 -0.014 0.000 1.070 54 L CA -0.347 54.478 54.840 -0.026 0.000 0.805 54 L CB 1.184 43.223 42.059 -0.034 0.000 1.174 54 L HN 0.317 8.547 8.230 -0.000 0.000 0.434 55 D N 4.732 125.141 120.400 0.014 0.000 2.441 55 D HA 0.077 4.719 4.640 0.004 0.000 0.221 55 D C -0.296 176.019 176.300 0.025 0.000 1.156 55 D CA -0.173 53.840 54.000 0.021 0.000 0.896 55 D CB 0.379 41.200 40.800 0.036 0.000 1.028 55 D HN 0.395 8.765 8.370 -0.000 0.000 0.509 56 K N 4.653 125.057 120.400 0.006 0.000 2.412 56 K HA 0.176 4.498 4.320 0.004 0.000 0.281 56 K C -2.233 174.385 176.600 0.030 0.000 1.027 56 K CA -1.194 55.096 56.287 0.004 0.000 0.989 56 K CB 0.712 33.192 32.500 -0.033 0.000 0.935 56 K HN 0.268 8.518 8.250 -0.000 0.000 0.475 57 P HA 0.173 4.593 4.420 -0.000 0.000 0.277 57 P C -2.722 174.609 177.300 0.052 0.000 1.240 57 P CA -1.746 61.399 63.100 0.075 0.000 0.798 57 P CB 0.510 32.288 31.700 0.130 0.000 0.979 58 P HA 0.194 4.614 4.420 -0.000 0.000 0.275 58 P C 0.679 178.007 177.300 0.047 0.000 1.227 58 P CA 0.689 63.811 63.100 0.035 0.000 0.781 58 P CB 0.661 32.380 31.700 0.031 0.000 0.906 59 G N 3.456 112.276 108.800 0.033 0.000 2.483 59 G HA2 -0.085 3.878 3.960 0.004 0.000 0.196 59 G HA3 -0.085 3.878 3.960 0.004 0.000 0.196 59 G C -2.558 172.354 174.900 0.020 0.000 2.335 59 G CA -0.378 44.749 45.100 0.045 0.000 1.576 59 G HN 0.568 8.858 8.290 -0.000 0.000 0.499 60 P HA 0.361 4.781 4.420 -0.000 0.000 0.272 60 P C 0.501 177.702 177.300 -0.165 0.000 1.230 60 P CA 1.018 64.048 63.100 -0.118 0.000 0.788 60 P CB 0.561 32.064 31.700 -0.329 0.000 0.949 61 T N -1.640 112.798 114.554 -0.193 0.000 2.813 61 T HA 0.082 4.435 4.350 0.004 0.000 0.297 61 T C 1.425 175.962 174.700 -0.272 0.000 1.036 61 T CA -0.267 61.727 62.100 -0.176 0.000 1.044 61 T CB -0.211 68.585 68.868 -0.120 0.000 0.993 61 T HN 0.272 8.512 8.240 -0.000 0.000 0.535 62 S N -0.320 115.212 115.700 -0.280 0.000 2.383 62 S HA -0.164 4.308 4.470 0.004 0.000 0.229 62 S C 1.728 176.055 174.600 -0.454 0.000 1.030 62 S CA 1.094 59.027 58.200 -0.445 0.000 1.002 62 S CB -0.752 62.033 63.200 -0.692 0.000 0.829 62 S HN 0.881 9.191 8.310 -0.000 0.000 0.467 63 H N 0.846 119.671 119.070 -0.408 0.000 2.428 63 H HA 0.027 4.585 4.556 0.004 0.000 0.296 63 H C 1.996 177.151 175.328 -0.288 0.000 1.062 63 H CA 1.207 57.113 56.048 -0.237 0.000 1.350 63 H CB 0.156 29.856 29.762 -0.103 0.000 1.403 63 H HN 0.485 8.765 8.280 -0.000 0.000 0.533 64 E N -0.099 119.842 120.200 -0.430 0.000 2.077 64 E HA -0.120 4.233 4.350 0.004 0.000 0.193 64 E C 2.412 178.344 176.600 -1.112 0.000 0.989 64 E CA 1.060 57.029 56.400 -0.718 0.000 0.800 64 E CB 0.221 29.493 29.700 -0.713 0.000 0.746 64 E HN 0.207 8.567 8.360 -0.000 0.000 0.452 65 V N 0.813 120.180 119.914 -0.913 0.000 2.343 65 V HA -0.233 3.890 4.120 0.004 0.000 0.247 65 V C 2.290 178.192 176.094 -0.319 0.000 1.051 65 V CA 1.296 63.198 62.300 -0.663 0.000 1.036 65 V CB -0.285 31.313 31.823 -0.376 0.000 0.654 65 V HN 0.148 8.338 8.190 -0.000 0.000 0.451 66 V N 0.225 119.962 119.914 -0.295 0.000 2.407 66 V HA -0.235 3.887 4.120 0.004 0.000 0.248 66 V C 2.661 178.656 176.094 -0.166 0.000 1.055 66 V CA 1.922 64.123 62.300 -0.165 0.000 1.049 66 V CB -1.031 30.740 31.823 -0.086 0.000 0.662 66 V HN 0.566 8.756 8.190 -0.000 0.000 0.455 67 A N -0.790 121.856 122.820 -0.290 0.000 1.930 67 A HA -0.195 4.128 4.320 0.004 0.000 0.217 67 A C 1.939 179.541 177.584 0.030 0.000 1.175 67 A CA 1.617 53.544 52.037 -0.184 0.000 0.627 67 A CB -0.625 18.216 19.000 -0.264 0.000 0.815 67 A HN 0.638 8.788 8.150 -0.000 0.000 0.443 68 W N 0.031 121.267 121.300 -0.107 0.000 2.358 68 W HA -0.078 4.584 4.660 0.004 0.000 0.303 68 W C 2.080 178.548 176.519 -0.085 0.000 1.208 68 W CA 0.449 57.741 57.345 -0.088 0.000 1.274 68 W CB -1.261 28.147 29.460 -0.088 0.000 1.138 68 W HN 0.289 8.469 8.180 -0.000 0.000 0.515 69 I N 0.447 121.103 120.570 0.142 0.000 2.179 69 I HA -0.328 3.845 4.170 0.004 0.000 0.242 69 I C 2.434 178.555 176.117 0.006 0.000 1.088 69 I CA 1.487 62.818 61.300 0.051 0.000 1.357 69 I CB -0.560 37.455 38.000 0.025 0.000 1.051 69 I HN -0.090 8.120 8.210 -0.000 0.000 0.409 70 K N 0.662 121.064 120.400 0.002 0.000 2.057 70 K HA -0.237 4.086 4.320 0.004 0.000 0.207 70 K C 2.207 178.800 176.600 -0.012 0.000 1.049 70 K CA 1.317 57.598 56.287 -0.011 0.000 0.931 70 K CB -0.200 32.290 32.500 -0.017 0.000 0.714 70 K HN 0.252 8.502 8.250 -0.000 0.000 0.440 71 K N 1.145 121.551 120.400 0.010 0.000 2.057 71 K HA -0.097 4.225 4.320 0.004 0.000 0.206 71 K C 2.067 178.653 176.600 -0.024 0.000 1.050 71 K CA 1.089 57.380 56.287 0.007 0.000 0.935 71 K CB 0.010 32.534 32.500 0.039 0.000 0.715 71 K HN 0.042 8.292 8.250 -0.000 0.000 0.439 72 I N 0.989 121.535 120.570 -0.040 0.000 2.333 72 I HA -0.206 3.966 4.170 0.004 0.000 0.246 72 I C 1.706 177.667 176.117 -0.261 0.000 1.106 72 I CA 0.845 62.091 61.300 -0.090 0.000 1.411 72 I CB 0.064 38.027 38.000 -0.062 0.000 1.082 72 I HN 0.104 8.314 8.210 -0.000 0.000 0.420 73 L N 0.221 121.255 121.223 -0.315 0.000 2.612 73 L HA 0.082 4.425 4.340 0.004 0.000 0.230 73 L C 0.491 177.242 176.870 -0.198 0.000 1.140 73 L CA 0.086 54.606 54.840 -0.533 0.000 0.896 73 L CB -0.823 41.053 42.059 -0.304 0.000 1.065 73 L HN 0.405 8.635 8.230 -0.000 0.000 0.447 74 N N 1.734 120.377 118.700 -0.095 0.000 2.671 74 N HA -0.183 4.559 4.740 0.004 0.000 0.261 74 N C -0.839 174.675 175.510 0.007 0.000 1.053 74 N CA 0.043 53.083 53.050 -0.017 0.000 0.732 74 N CB -0.556 37.940 38.487 0.016 0.000 0.887 74 N HN 0.309 8.689 8.380 -0.000 0.000 0.546 75 L N 1.072 122.294 121.223 -0.002 0.000 2.346 75 L HA 0.335 4.678 4.340 0.004 0.000 0.274 75 L C 1.476 178.346 176.870 0.001 0.000 1.007 75 L CA -0.830 54.015 54.840 0.008 0.000 0.818 75 L CB 1.608 43.671 42.059 0.007 0.000 1.284 75 L HN 0.165 8.395 8.230 -0.000 0.000 0.424 76 E N 0.977 121.176 120.200 -0.001 0.000 2.112 76 E HA 0.047 4.400 4.350 0.004 0.000 0.190 76 E C -0.143 176.454 176.600 -0.006 0.000 0.979 76 E CA 0.873 57.271 56.400 -0.004 0.000 0.814 76 E CB 0.361 30.057 29.700 -0.007 0.000 0.762 76 E HN 0.376 8.736 8.360 -0.000 0.000 0.460 77 K N -0.263 120.132 120.400 -0.009 0.000 2.469 77 K HA 0.698 5.020 4.320 0.004 0.000 0.254 77 K C -1.255 175.341 176.600 -0.006 0.000 0.939 77 K CA -0.544 55.740 56.287 -0.006 0.000 0.812 77 K CB 2.611 35.106 32.500 -0.009 0.000 1.301 77 K HN 0.005 8.255 8.250 -0.000 0.000 0.433 78 A N 0.611 123.432 122.820 0.002 0.000 2.608 78 A HA 0.838 5.160 4.320 0.004 0.000 0.292 78 A C -1.243 176.355 177.584 0.023 0.000 1.066 78 A CA -0.439 51.600 52.037 0.003 0.000 0.676 78 A CB 2.090 21.087 19.000 -0.006 0.000 1.277 78 A HN 0.721 8.871 8.150 -0.000 0.000 0.413 79 G N -0.401 108.411 108.800 0.020 0.000 2.704 79 G HA2 0.665 4.627 3.960 0.004 0.000 0.293 79 G HA3 0.665 4.627 3.960 0.004 0.000 0.293 79 G C -1.233 173.679 174.900 0.021 0.000 1.421 79 G CA -0.230 44.884 45.100 0.023 0.000 0.870 79 G HN 1.736 10.026 8.290 -0.000 0.000 0.492 80 H N -1.764 117.294 119.070 -0.020 0.000 2.573 80 H HA 0.710 5.268 4.556 0.004 0.000 0.351 80 H C 0.350 175.647 175.328 -0.051 0.000 1.163 80 H CA -0.761 55.254 56.048 -0.055 0.000 1.205 80 H CB 2.198 31.931 29.762 -0.049 0.000 1.605 80 H HN 0.684 8.964 8.280 -0.000 0.000 0.525 81 G N 1.111 109.897 108.800 -0.024 0.000 3.444 81 G HA2 0.502 4.464 3.960 0.004 0.000 0.315 81 G HA3 0.502 4.464 3.960 0.004 0.000 0.315 81 G C -0.027 174.883 174.900 0.016 0.000 1.079 81 G CA -0.291 44.776 45.100 -0.054 0.000 1.500 81 G HN 1.201 9.491 8.290 -0.000 0.000 0.518 82 G N 1.170 109.996 108.800 0.044 0.000 3.439 82 G HA2 -0.012 3.950 3.960 0.004 0.000 0.686 82 G HA3 -0.012 3.950 3.960 0.004 0.000 0.686 82 G C -0.041 174.990 174.900 0.219 0.000 1.075 82 G CA -0.621 44.541 45.100 0.102 0.000 0.926 82 G HN 0.697 8.987 8.290 -0.000 0.000 0.485 83 T N 3.403 118.105 114.554 0.247 0.000 2.829 83 T HA 0.339 4.692 4.350 0.004 0.000 0.293 83 T C 1.172 175.939 174.700 0.112 0.000 0.970 83 T CA 0.269 62.502 62.100 0.222 0.000 1.168 83 T CB 0.500 69.486 68.868 0.196 0.000 0.911 83 T HN 0.501 8.741 8.240 -0.000 0.000 0.535 84 L N 3.921 125.164 121.223 0.033 0.000 2.289 84 L HA 0.305 4.648 4.340 0.004 0.000 0.285 84 L C 0.563 177.439 176.870 0.011 0.000 1.049 84 L CA -1.041 53.826 54.840 0.044 0.000 0.804 84 L CB 0.943 43.012 42.059 0.016 0.000 1.195 84 L HN 0.553 8.783 8.230 -0.000 0.000 0.428 85 D N 4.360 124.789 120.400 0.048 0.000 2.400 85 D HA 0.035 4.677 4.640 0.004 0.000 0.238 85 D C -1.414 174.888 176.300 0.003 0.000 1.157 85 D CA -1.333 52.686 54.000 0.032 0.000 0.889 85 D CB 0.844 41.682 40.800 0.063 0.000 1.199 85 D HN 0.264 8.634 8.370 -0.000 0.000 0.436 86 P HA -0.166 4.254 4.420 -0.000 0.000 0.216 86 P C 0.817 178.115 177.300 -0.004 0.000 1.157 86 P CA 1.679 64.766 63.100 -0.020 0.000 0.880 86 P CB 0.247 31.939 31.700 -0.014 0.000 0.791 87 K N -1.140 119.264 120.400 0.006 0.000 2.486 87 K HA 0.079 4.401 4.320 0.004 0.000 0.194 87 K C 0.108 176.716 176.600 0.013 0.000 1.033 87 K CA 0.174 56.468 56.287 0.011 0.000 1.004 87 K CB 0.002 32.508 32.500 0.010 0.000 0.798 87 K HN 0.047 8.297 8.250 -0.000 0.000 0.495 88 V N 1.966 121.889 119.914 0.016 0.000 2.439 88 V HA 0.091 4.213 4.120 0.004 0.000 0.282 88 V C 0.375 176.486 176.094 0.028 0.000 1.039 88 V CA -0.705 61.612 62.300 0.029 0.000 0.913 88 V CB 1.388 33.242 31.823 0.052 0.000 0.983 88 V HN 0.195 8.385 8.190 -0.000 0.000 0.460 89 S N 3.488 119.207 115.700 0.032 0.000 2.730 89 S HA 0.987 5.459 4.470 0.004 0.000 0.284 89 S C 0.204 174.820 174.600 0.026 0.000 1.153 89 S CA 0.203 58.419 58.200 0.027 0.000 0.995 89 S CB 1.769 64.985 63.200 0.027 0.000 1.058 89 S HN 2.104 10.414 8.310 -0.000 0.000 0.552 90 G N -0.684 108.124 108.800 0.014 0.000 2.396 90 G HA2 -0.015 3.947 3.960 0.004 0.000 0.254 90 G HA3 -0.015 3.947 3.960 0.004 0.000 0.254 90 G C -0.773 174.119 174.900 -0.014 0.000 1.248 90 G CA -0.533 44.569 45.100 0.003 0.000 1.033 90 G HN 1.568 9.858 8.290 -0.000 0.000 0.502 91 V N 0.544 120.442 119.914 -0.028 0.000 2.452 91 V HA 0.324 4.447 4.120 0.004 0.000 0.286 91 V C 0.531 176.589 176.094 -0.059 0.000 0.995 91 V CA 1.067 63.346 62.300 -0.035 0.000 1.116 91 V CB 0.545 32.355 31.823 -0.022 0.000 0.954 91 V HN 1.052 9.242 8.190 -0.000 0.000 0.473 92 L N 9.475 130.650 121.223 -0.079 0.000 2.427 92 L HA 0.591 4.933 4.340 0.004 0.000 0.264 92 L C -2.582 174.180 176.870 -0.180 0.000 0.989 92 L CA -1.711 53.071 54.840 -0.097 0.000 0.865 92 L CB 2.051 44.065 42.059 -0.074 0.000 1.209 92 L HN 0.343 8.573 8.230 -0.000 0.000 0.430 93 P HA 0.146 4.566 4.420 -0.000 0.000 0.271 93 P C -1.040 176.099 177.300 -0.270 0.000 1.226 93 P CA 0.051 62.824 63.100 -0.544 0.000 0.765 93 P CB 0.938 32.105 31.700 -0.889 0.000 0.835 94 V N 3.780 123.562 119.914 -0.219 0.000 2.284 94 V HA 0.492 4.614 4.120 0.004 0.000 0.274 94 V C 0.474 176.508 176.094 -0.100 0.000 1.023 94 V CA -0.874 61.365 62.300 -0.101 0.000 0.808 94 V CB 0.860 32.647 31.823 -0.060 0.000 1.035 94 V HN 0.596 8.786 8.190 -0.000 0.000 0.445 95 A N 6.428 129.200 122.820 -0.079 0.000 2.388 95 A HA 0.803 5.126 4.320 0.004 0.000 0.257 95 A C -0.403 177.163 177.584 -0.031 0.000 1.095 95 A CA -0.163 51.842 52.037 -0.052 0.000 0.791 95 A CB 0.361 19.341 19.000 -0.033 0.000 1.029 95 A HN 0.792 8.942 8.150 -0.000 0.000 0.489 96 L N 1.966 123.168 121.223 -0.035 0.000 2.342 96 L HA 0.452 4.794 4.340 0.004 0.000 0.271 96 L C 0.716 177.557 176.870 -0.049 0.000 1.008 96 L CA -0.842 53.977 54.840 -0.035 0.000 0.818 96 L CB 1.248 43.283 42.059 -0.040 0.000 1.296 96 L HN 0.963 9.193 8.230 -0.000 0.000 0.427 97 E N 1.354 121.526 120.200 -0.047 0.000 3.357 97 E HA -0.306 4.047 4.350 0.004 0.000 0.416 97 E C 0.974 177.520 176.600 -0.089 0.000 1.565 97 E CA 1.700 58.053 56.400 -0.078 0.000 1.422 97 E CB -0.710 28.918 29.700 -0.120 0.000 1.536 97 E HN 0.622 8.982 8.360 -0.000 0.000 0.459 98 K N 0.800 121.080 120.400 -0.200 0.000 2.283 98 K HA 0.091 4.413 4.320 0.004 0.000 0.202 98 K C 1.878 178.532 176.600 0.091 0.000 1.048 98 K CA 1.118 57.309 56.287 -0.161 0.000 0.948 98 K CB -0.145 32.043 32.500 -0.520 0.000 0.742 98 K HN 0.432 8.682 8.250 -0.000 0.000 0.458 99 A N 0.831 123.684 122.820 0.055 0.000 2.178 99 A HA -0.012 4.310 4.320 0.004 0.000 0.211 99 A C 2.006 179.663 177.584 0.122 0.000 1.157 99 A CA 0.814 52.928 52.037 0.127 0.000 0.780 99 A CB -0.486 18.542 19.000 0.047 0.000 0.828 99 A HN 0.183 8.333 8.150 -0.000 0.000 0.476 100 T N 0.693 115.302 114.554 0.092 0.000 2.653 100 T HA -0.278 4.074 4.350 0.004 0.000 0.267 100 T C 1.859 176.623 174.700 0.107 0.000 1.037 100 T CA 2.202 64.342 62.100 0.066 0.000 1.159 100 T CB -0.328 68.563 68.868 0.039 0.000 0.859 100 T HN 0.607 8.847 8.240 -0.000 0.000 0.449 101 R N 0.944 121.583 120.500 0.231 0.000 2.316 101 R HA 0.048 4.390 4.340 0.004 0.000 0.202 101 R C 2.494 178.983 176.300 0.315 0.000 1.029 101 R CA 0.633 56.891 56.100 0.264 0.000 1.018 101 R CB -0.480 29.959 30.300 0.232 0.000 0.888 101 R HN 0.499 8.769 8.270 -0.000 0.000 0.471 102 V N -1.058 118.949 119.914 0.155 0.000 2.867 102 V HA -0.164 3.958 4.120 0.004 0.000 0.260 102 V C 2.177 178.283 176.094 0.020 0.000 1.099 102 V CA 1.487 63.731 62.300 -0.093 0.000 1.122 102 V CB -0.826 30.798 31.823 -0.333 0.000 0.708 102 V HN 0.190 8.380 8.190 -0.000 0.000 0.490 103 V N -2.014 117.916 119.914 0.028 0.000 2.688 103 V HA -0.280 3.842 4.120 0.004 0.000 0.256 103 V C 2.549 178.659 176.094 0.027 0.000 1.084 103 V CA 2.329 64.632 62.300 0.005 0.000 1.103 103 V CB -1.226 30.561 31.823 -0.059 0.000 0.688 103 V HN 0.644 8.834 8.190 -0.000 0.000 0.480 104 Q N 1.112 120.945 119.800 0.055 0.000 2.226 104 Q HA -0.155 4.188 4.340 0.004 0.000 0.204 104 Q C 2.129 178.177 176.000 0.081 0.000 0.975 104 Q CA 2.108 57.947 55.803 0.060 0.000 0.866 104 Q CB -0.248 28.539 28.738 0.080 0.000 0.915 104 Q HN 0.775 9.045 8.270 -0.000 0.000 0.440 105 A N -0.217 122.667 122.820 0.106 0.000 2.119 105 A HA -0.039 4.284 4.320 0.004 0.000 0.216 105 A C 1.665 179.414 177.584 0.276 0.000 1.152 105 A CA 0.499 52.628 52.037 0.154 0.000 0.708 105 A CB 0.035 19.115 19.000 0.133 0.000 0.805 105 A HN 0.323 8.473 8.150 -0.000 0.000 0.460 106 L N -1.488 119.834 121.223 0.164 0.000 2.408 106 L HA 0.203 4.546 4.340 0.004 0.000 0.215 106 L C 1.984 178.896 176.870 0.070 0.000 1.081 106 L CA 0.742 55.642 54.840 0.100 0.000 0.840 106 L CB -0.862 41.233 42.059 0.059 0.000 1.002 106 L HN 0.217 8.447 8.230 -0.000 0.000 0.468 107 L N 0.759 122.018 121.223 0.061 0.000 2.012 107 L HA -0.140 4.203 4.340 0.004 0.000 0.210 107 L C -0.486 176.425 176.870 0.070 0.000 1.073 107 L CA 2.110 56.979 54.840 0.048 0.000 0.748 107 L CB -1.649 40.425 42.059 0.025 0.000 0.891 107 L HN 0.254 8.484 8.230 -0.000 0.000 0.431 108 P HA 0.162 4.582 4.420 -0.000 0.000 0.262 108 P C -0.048 177.325 177.300 0.122 0.000 1.304 108 P CA 0.233 63.390 63.100 0.095 0.000 0.859 108 P CB 0.074 31.825 31.700 0.084 0.000 1.310 109 A N 0.446 123.341 122.820 0.125 0.000 2.332 109 A HA 0.548 4.870 4.320 0.004 0.000 0.258 109 A C 0.909 178.550 177.584 0.096 0.000 1.087 109 A CA -0.017 52.090 52.037 0.116 0.000 0.802 109 A CB -0.290 18.701 19.000 -0.015 0.000 1.042 109 A HN 0.200 8.350 8.150 -0.000 0.000 0.489 110 G N 1.129 109.989 108.800 0.099 0.000 2.441 110 G HA2 0.471 4.433 3.960 0.004 0.000 0.243 110 G HA3 0.471 4.433 3.960 0.004 0.000 0.243 110 G C -0.239 174.701 174.900 0.066 0.000 1.281 110 G CA -0.364 44.816 45.100 0.133 0.000 0.854 110 G HN 0.596 8.886 8.290 -0.000 0.000 0.560 111 K N 1.151 121.600 120.400 0.081 0.000 2.267 111 K HA 0.455 4.778 4.320 0.004 0.000 0.246 111 K C -0.523 176.034 176.600 -0.071 0.000 0.954 111 K CA -0.674 55.584 56.287 -0.048 0.000 0.824 111 K CB 2.848 35.306 32.500 -0.070 0.000 1.167 111 K HN 0.690 8.940 8.250 -0.000 0.000 0.431 112 E N 1.406 121.474 120.200 -0.220 0.000 2.238 112 E HA 0.433 4.785 4.350 0.004 0.000 0.267 112 E C -1.360 175.030 176.600 -0.350 0.000 0.887 112 E CA -0.597 55.726 56.400 -0.127 0.000 0.769 112 E CB 1.225 30.943 29.700 0.031 0.000 1.187 112 E HN 0.393 8.753 8.360 -0.000 0.000 0.416 113 Y N 0.606 120.897 120.300 -0.014 0.000 2.553 113 Y HA 0.432 4.984 4.550 0.004 0.000 0.347 113 Y C -0.566 175.264 175.900 -0.117 0.000 1.019 113 Y CA -0.922 57.137 58.100 -0.068 0.000 1.032 113 Y CB 2.044 40.438 38.460 -0.109 0.000 1.284 113 Y HN 0.189 8.469 8.280 -0.000 0.000 0.466 114 V N 2.364 122.295 119.914 0.028 0.000 2.417 114 V HA 0.849 4.972 4.120 0.004 0.000 0.291 114 V C -0.383 175.590 176.094 -0.201 0.000 1.024 114 V CA -0.588 61.648 62.300 -0.108 0.000 0.861 114 V CB 1.023 32.817 31.823 -0.049 0.000 0.985 114 V HN 0.848 9.038 8.190 -0.000 0.000 0.436 115 A N 4.870 127.399 122.820 -0.484 0.000 2.401 115 A HA 0.911 5.233 4.320 0.004 0.000 0.310 115 A C -1.423 175.946 177.584 -0.357 0.000 1.075 115 A CA -0.640 51.104 52.037 -0.488 0.000 0.746 115 A CB 1.690 20.258 19.000 -0.721 0.000 1.277 115 A HN 0.736 8.886 8.150 -0.000 0.000 0.425 116 L N 2.201 123.341 121.223 -0.139 0.000 2.298 116 L HA 0.640 4.983 4.340 0.004 0.000 0.284 116 L C -0.277 176.608 176.870 0.024 0.000 1.013 116 L CA -0.293 54.537 54.840 -0.016 0.000 0.824 116 L CB 1.094 43.150 42.059 -0.007 0.000 1.221 116 L HN 0.800 9.030 8.230 -0.000 0.000 0.418 117 M N 4.550 124.216 119.600 0.109 0.000 2.180 117 M HA 0.336 4.819 4.480 0.004 0.000 0.350 117 M C -1.431 174.830 176.300 -0.066 0.000 1.125 117 M CA -0.452 54.861 55.300 0.023 0.000 1.031 117 M CB 0.702 33.344 32.600 0.069 0.000 1.623 117 M HN 0.781 9.071 8.290 -0.000 0.000 0.451 118 H N 5.053 123.940 119.070 -0.305 0.000 2.597 118 H HA 0.471 5.029 4.556 0.004 0.000 0.303 118 H C -1.287 173.877 175.328 -0.274 0.000 1.057 118 H CA -0.383 55.498 56.048 -0.278 0.000 1.261 118 H CB 0.754 30.311 29.762 -0.342 0.000 1.397 118 H HN 0.755 9.035 8.280 -0.000 0.000 0.461 119 L N 5.016 125.963 121.223 -0.459 0.000 2.439 119 L HA 0.115 4.457 4.340 0.004 0.000 0.269 119 L C 0.756 177.522 176.870 -0.174 0.000 1.179 119 L CA 0.030 54.662 54.840 -0.346 0.000 0.828 119 L CB 0.742 42.647 42.059 -0.257 0.000 1.106 119 L HN 0.862 9.092 8.230 -0.000 0.000 0.467 120 H N 0.534 119.592 119.070 -0.020 0.000 2.517 120 H HA 0.321 4.879 4.556 0.004 0.000 0.282 120 H C 0.614 175.950 175.328 0.013 0.000 1.023 120 H CA -0.190 55.892 56.048 0.055 0.000 1.169 120 H CB 0.530 30.348 29.762 0.093 0.000 1.454 120 H HN 0.735 9.015 8.280 -0.000 0.000 0.556 121 G N -0.288 108.546 108.800 0.057 0.000 2.576 121 G HA2 0.084 4.047 3.960 0.004 0.000 0.290 121 G HA3 0.084 4.047 3.960 0.004 0.000 0.290 121 G C -1.768 173.117 174.900 -0.025 0.000 1.442 121 G CA -0.872 44.242 45.100 0.023 0.000 0.792 121 G HN 0.011 8.301 8.290 -0.000 0.000 0.491 122 D N 0.581 120.971 120.400 -0.017 0.000 2.316 122 D HA 0.427 5.069 4.640 0.004 0.000 0.245 122 D C -0.153 176.129 176.300 -0.031 0.000 1.171 122 D CA 0.227 54.209 54.000 -0.029 0.000 0.856 122 D CB 1.998 42.789 40.800 -0.015 0.000 1.090 122 D HN 0.138 8.508 8.370 -0.000 0.000 0.476 123 V N 4.059 123.945 119.914 -0.045 0.000 2.540 123 V HA 0.310 4.433 4.120 0.004 0.000 0.302 123 V C -2.116 173.955 176.094 -0.038 0.000 1.035 123 V CA -1.746 60.529 62.300 -0.042 0.000 0.873 123 V CB 1.935 33.723 31.823 -0.057 0.000 0.992 123 V HN 0.359 8.549 8.190 -0.000 0.000 0.428 124 P HA 0.172 4.592 4.420 -0.000 0.000 0.267 124 P C 0.826 178.110 177.300 -0.027 0.000 1.200 124 P CA -0.043 63.043 63.100 -0.023 0.000 0.772 124 P CB 0.752 32.442 31.700 -0.016 0.000 0.855 125 E N 1.291 121.477 120.200 -0.022 0.000 2.118 125 E HA -0.263 4.090 4.350 0.004 0.000 0.195 125 E C 1.220 177.808 176.600 -0.020 0.000 0.992 125 E CA 1.840 58.227 56.400 -0.022 0.000 0.804 125 E CB -0.159 29.533 29.700 -0.014 0.000 0.741 125 E HN 0.671 9.031 8.360 -0.000 0.000 0.458 126 D N 0.605 120.996 120.400 -0.015 0.000 2.144 126 D HA -0.185 4.457 4.640 0.004 0.000 0.199 126 D C 1.841 178.133 176.300 -0.014 0.000 0.984 126 D CA 0.904 54.898 54.000 -0.011 0.000 0.834 126 D CB -0.112 40.684 40.800 -0.007 0.000 0.955 126 D HN -0.102 8.268 8.370 -0.000 0.000 0.465 127 K N 0.362 120.751 120.400 -0.018 0.000 2.103 127 K HA 0.037 4.359 4.320 0.004 0.000 0.204 127 K C 2.174 178.756 176.600 -0.029 0.000 1.052 127 K CA 0.369 56.645 56.287 -0.020 0.000 0.945 127 K CB -0.218 32.269 32.500 -0.021 0.000 0.722 127 K HN 0.304 8.554 8.250 -0.000 0.000 0.443 128 I N 0.914 121.458 120.570 -0.044 0.000 2.127 128 I HA -0.324 3.849 4.170 0.004 0.000 0.241 128 I C 2.262 178.340 176.117 -0.065 0.000 1.075 128 I CA 1.298 62.556 61.300 -0.069 0.000 1.334 128 I CB -0.270 37.682 38.000 -0.079 0.000 1.040 128 I HN 0.057 8.267 8.210 -0.000 0.000 0.405 129 I N 0.070 120.615 120.570 -0.042 0.000 2.226 129 I HA -0.319 3.853 4.170 0.004 0.000 0.245 129 I C 2.714 178.824 176.117 -0.011 0.000 1.100 129 I CA 1.388 62.672 61.300 -0.028 0.000 1.374 129 I CB -0.477 37.517 38.000 -0.011 0.000 1.057 129 I HN 0.352 8.562 8.210 -0.000 0.000 0.413 130 Q N 0.816 120.613 119.800 -0.005 0.000 2.050 130 Q HA -0.187 4.155 4.340 0.004 0.000 0.202 130 Q C 2.386 178.401 176.000 0.024 0.000 0.980 130 Q CA 1.907 57.714 55.803 0.007 0.000 0.840 130 Q CB 0.087 28.827 28.738 0.002 0.000 0.898 130 Q HN 0.364 8.634 8.270 -0.000 0.000 0.424 131 V N 0.726 120.656 119.914 0.027 0.000 2.358 131 V HA -0.258 3.864 4.120 0.004 0.000 0.246 131 V C 2.311 178.505 176.094 0.166 0.000 1.047 131 V CA 1.675 64.026 62.300 0.085 0.000 1.035 131 V CB -0.403 31.456 31.823 0.061 0.000 0.658 131 V HN 0.440 8.630 8.190 -0.000 0.000 0.452 132 M N -0.575 119.046 119.600 0.035 0.000 2.229 132 M HA -0.174 4.309 4.480 0.004 0.000 0.264 132 M C 2.274 178.624 176.300 0.083 0.000 1.063 132 M CA 1.571 56.864 55.300 -0.010 0.000 1.114 132 M CB -0.431 32.054 32.600 -0.191 0.000 1.387 132 M HN 0.198 8.488 8.290 -0.000 0.000 0.420 133 K N 0.886 121.325 120.400 0.064 0.000 2.147 133 K HA -0.164 4.159 4.320 0.004 0.000 0.205 133 K C 1.420 178.062 176.600 0.069 0.000 1.049 133 K CA 1.287 57.613 56.287 0.065 0.000 0.936 133 K CB 0.093 32.617 32.500 0.041 0.000 0.722 133 K HN 0.397 8.647 8.250 -0.000 0.000 0.446 134 E N -0.696 119.547 120.200 0.072 0.000 2.268 134 E HA -0.129 4.223 4.350 0.004 0.000 0.195 134 E C 1.065 177.603 176.600 -0.104 0.000 0.995 134 E CA 0.702 57.087 56.400 -0.025 0.000 0.836 134 E CB 0.025 29.680 29.700 -0.074 0.000 0.763 134 E HN 0.291 8.651 8.360 -0.000 0.000 0.491 135 F N 1.485 121.410 119.950 -0.042 0.000 2.797 135 F HA 0.089 4.618 4.527 0.004 0.000 0.302 135 F C 0.695 176.475 175.800 -0.032 0.000 1.130 135 F CA 0.122 58.097 58.000 -0.042 0.000 1.387 135 F CB 0.274 39.241 39.000 -0.054 0.000 1.107 135 F HN -0.183 8.117 8.300 -0.000 0.000 0.577 136 E N 0.101 120.361 120.200 0.100 0.000 2.331 136 E HA 0.464 4.817 4.350 0.004 0.000 0.272 136 E C 0.720 177.327 176.600 0.011 0.000 1.036 136 E CA 0.303 56.742 56.400 0.064 0.000 0.864 136 E CB 0.949 30.703 29.700 0.090 0.000 1.035 136 E HN 0.281 8.641 8.360 -0.000 0.000 0.408 137 G N 2.389 111.184 108.800 -0.010 0.000 2.428 137 G HA2 -0.189 3.773 3.960 0.004 0.000 0.202 137 G HA3 -0.189 3.773 3.960 0.004 0.000 0.202 137 G C -0.885 173.974 174.900 -0.069 0.000 1.247 137 G CA -0.903 44.179 45.100 -0.030 0.000 1.020 137 G HN 0.500 8.790 8.290 -0.000 0.000 0.529 138 E N 0.798 120.962 120.200 -0.059 0.000 2.217 138 E HA 0.408 4.761 4.350 0.004 0.000 0.279 138 E C 0.488 177.045 176.600 -0.072 0.000 1.068 138 E CA 0.358 56.721 56.400 -0.063 0.000 0.882 138 E CB 0.729 30.403 29.700 -0.043 0.000 1.039 138 E HN 0.716 9.076 8.360 -0.000 0.000 0.418 139 I N -0.341 120.193 120.570 -0.061 0.000 2.740 139 I HA 0.485 4.658 4.170 0.004 0.000 0.303 139 I C -0.161 175.933 176.117 -0.039 0.000 1.044 139 I CA -1.247 60.015 61.300 -0.065 0.000 1.064 139 I CB 1.471 39.460 38.000 -0.019 0.000 1.249 139 I HN 0.223 8.433 8.210 -0.000 0.000 0.433 140 I N 3.797 124.331 120.570 -0.060 0.000 2.396 140 I HA 0.109 4.281 4.170 0.004 0.000 0.289 140 I C 1.061 177.173 176.117 -0.009 0.000 1.056 140 I CA 0.085 61.359 61.300 -0.043 0.000 1.365 140 I CB 1.264 39.221 38.000 -0.071 0.000 1.407 140 I HN 0.793 9.003 8.210 -0.000 0.000 0.509 141 Q N 5.893 125.711 119.800 0.030 0.000 2.281 141 Q HA 0.279 4.622 4.340 0.004 0.000 0.215 141 Q C 0.508 176.558 176.000 0.083 0.000 0.867 141 Q CA -0.164 55.692 55.803 0.088 0.000 0.940 141 Q CB 0.880 29.674 28.738 0.094 0.000 1.111 141 Q HN 0.596 8.866 8.270 -0.000 0.000 0.513 142 R N 1.759 122.284 120.500 0.042 0.000 2.518 142 R HA 0.354 4.696 4.340 0.004 0.000 0.287 142 R C -2.863 173.446 176.300 0.016 0.000 1.135 142 R CA -1.920 54.202 56.100 0.037 0.000 0.967 142 R CB 1.641 31.957 30.300 0.028 0.000 1.212 142 R HN 0.071 8.341 8.270 -0.000 0.000 0.422 143 P HA 0.132 4.552 4.420 -0.000 0.000 0.269 143 P C -2.391 174.913 177.300 0.005 0.000 1.209 143 P CA -0.847 62.255 63.100 0.004 0.000 0.776 143 P CB 0.200 31.907 31.700 0.011 0.000 0.876 144 P HA 0.179 4.599 4.420 -0.000 0.000 0.274 144 P C 0.269 177.570 177.300 0.002 0.000 1.256 144 P CA -0.282 62.818 63.100 -0.001 0.000 0.795 144 P CB 0.311 32.008 31.700 -0.004 0.000 1.038 154 R N 2.786 123.286 120.500 -0.000 0.000 2.255 154 R HA 0.857 5.199 4.340 0.004 0.000 0.326 154 R C -0.660 175.642 176.300 0.003 0.000 0.986 154 R CA 0.407 56.509 56.100 0.004 0.000 0.847 154 R CB 1.250 31.555 30.300 0.008 0.000 1.111 154 R HN 0.776 9.046 8.270 -0.000 0.000 0.452 155 T N 0.808 115.363 114.554 0.001 0.000 2.930 155 T HA 0.667 5.019 4.350 0.004 0.000 0.290 155 T C -0.540 174.159 174.700 -0.002 0.000 1.052 155 T CA -1.021 61.077 62.100 -0.005 0.000 1.017 155 T CB 1.837 70.695 68.868 -0.017 0.000 1.137 155 T HN 0.563 8.803 8.240 -0.000 0.000 0.511 156 R N -0.168 120.326 120.500 -0.011 0.000 2.698 156 R HA 0.530 4.872 4.340 0.004 0.000 0.275 156 R C -1.342 174.910 176.300 -0.079 0.000 1.001 156 R CA -0.689 55.397 56.100 -0.024 0.000 0.896 156 R CB 1.880 32.185 30.300 0.008 0.000 1.218 156 R HN 0.703 8.973 8.270 -0.000 0.000 0.462 157 K N 1.664 121.966 120.400 -0.164 0.000 2.211 157 K HA 0.399 4.721 4.320 0.004 0.000 0.275 157 K C -0.924 175.387 176.600 -0.481 0.000 1.024 157 K CA -0.621 55.466 56.287 -0.334 0.000 0.887 157 K CB 1.814 34.034 32.500 -0.466 0.000 1.084 157 K HN 0.170 8.420 8.250 -0.000 0.000 0.463 158 V N 5.124 124.840 119.914 -0.330 0.000 2.333 158 V HA 0.100 4.222 4.120 0.004 0.000 0.274 158 V C 0.212 176.152 176.094 -0.257 0.000 1.028 158 V CA -0.382 61.760 62.300 -0.264 0.000 0.851 158 V CB 0.355 32.148 31.823 -0.051 0.000 1.000 158 V HN 0.775 8.965 8.190 -0.000 0.000 0.456 159 Y N 4.742 125.000 120.300 -0.069 0.000 2.337 159 Y HA 0.077 4.629 4.550 0.004 0.000 0.293 159 Y C 0.646 176.627 175.900 0.134 0.000 1.123 159 Y CA 0.593 58.697 58.100 0.007 0.000 1.201 159 Y CB 0.174 38.641 38.460 0.011 0.000 1.011 159 Y HN 0.733 9.013 8.280 -0.000 0.000 0.545 160 Y N -3.030 117.402 120.300 0.219 0.000 2.573 160 Y HA 0.611 5.164 4.550 0.004 0.000 0.328 160 Y C -1.715 174.286 175.900 0.169 0.000 1.170 160 Y CA -2.404 55.795 58.100 0.165 0.000 1.078 160 Y CB 0.599 39.149 38.460 0.150 0.000 1.341 160 Y HN -0.240 8.040 8.280 -0.000 0.000 0.459 161 I N 2.573 123.334 120.570 0.319 0.000 2.447 161 I HA 0.333 4.506 4.170 0.004 0.000 0.287 161 I C -0.950 175.332 176.117 0.276 0.000 1.023 161 I CA -0.624 60.851 61.300 0.292 0.000 1.083 161 I CB 2.107 40.198 38.000 0.151 0.000 1.245 161 I HN 0.757 8.967 8.210 -0.000 0.000 0.434 162 E N 6.751 127.143 120.200 0.320 0.000 2.141 162 E HA 0.337 4.689 4.350 0.004 0.000 0.259 162 E C -1.267 175.465 176.600 0.220 0.000 0.883 162 E CA -0.651 55.880 56.400 0.218 0.000 0.744 162 E CB 1.609 31.417 29.700 0.181 0.000 1.150 162 E HN 0.350 8.710 8.360 -0.000 0.000 0.420 163 V N 6.969 126.975 119.914 0.153 0.000 2.446 163 V HA -0.022 4.100 4.120 0.004 0.000 0.276 163 V C 1.367 177.528 176.094 0.112 0.000 1.030 163 V CA 0.410 62.794 62.300 0.138 0.000 1.033 163 V CB 0.543 32.399 31.823 0.056 0.000 0.993 163 V HN 0.820 9.010 8.190 -0.000 0.000 0.477 164 L N 4.006 125.304 121.223 0.125 0.000 2.102 164 L HA 0.213 4.556 4.340 0.004 0.000 0.202 164 L C 0.904 177.810 176.870 0.060 0.000 1.076 164 L CA 0.888 55.778 54.840 0.083 0.000 0.761 164 L CB 0.040 42.145 42.059 0.077 0.000 0.921 164 L HN 0.852 9.082 8.230 -0.000 0.000 0.444 165 E N -0.430 119.808 120.200 0.063 0.000 2.388 165 E HA 0.482 4.835 4.350 0.004 0.000 0.280 165 E C -1.277 175.346 176.600 0.039 0.000 1.019 165 E CA -0.673 55.752 56.400 0.043 0.000 0.806 165 E CB 1.850 31.571 29.700 0.034 0.000 1.246 165 E HN -0.039 8.321 8.360 -0.000 0.000 0.443 166 I N 1.330 121.913 120.570 0.021 0.000 2.389 166 I HA 0.258 4.430 4.170 0.004 0.000 0.288 166 I C -0.504 175.616 176.117 0.005 0.000 0.999 166 I CA -0.414 60.890 61.300 0.007 0.000 1.129 166 I CB 1.787 39.782 38.000 -0.009 0.000 1.288 166 I HN 0.596 8.806 8.210 -0.000 0.000 0.444 167 E N 5.863 126.066 120.200 0.005 0.000 2.546 167 E HA 0.439 4.791 4.350 0.004 0.000 0.227 167 E C 0.624 177.224 176.600 0.000 0.000 1.009 167 E CA 0.049 56.455 56.400 0.009 0.000 0.813 167 E CB 0.598 30.311 29.700 0.022 0.000 1.269 167 E HN 0.868 9.228 8.360 -0.000 0.000 0.432 168 G N 3.902 112.695 108.800 -0.012 0.000 2.595 168 G HA2 -0.402 3.560 3.960 0.004 0.000 0.297 168 G HA3 -0.402 3.560 3.960 0.004 0.000 0.297 168 G C 0.829 175.687 174.900 -0.069 0.000 1.181 168 G CA 0.342 45.427 45.100 -0.025 0.000 0.963 168 G HN 0.563 8.853 8.290 -0.000 0.000 0.541 169 R N 1.354 121.782 120.500 -0.120 0.000 2.300 169 R HA 0.190 4.532 4.340 0.004 0.000 0.199 169 R C -0.350 175.758 176.300 -0.321 0.000 0.920 169 R CA 0.261 56.193 56.100 -0.280 0.000 1.046 169 R CB 0.194 30.210 30.300 -0.473 0.000 0.984 169 R HN 0.405 8.675 8.270 -0.000 0.000 0.493 170 D N 0.971 121.290 120.400 -0.134 0.000 2.277 170 D HA 0.159 4.802 4.640 0.004 0.000 0.249 170 D C -0.662 175.627 176.300 -0.019 0.000 1.134 170 D CA 0.043 54.023 54.000 -0.034 0.000 0.863 170 D CB 2.379 43.216 40.800 0.062 0.000 1.143 170 D HN -0.221 8.149 8.370 -0.000 0.000 0.458 171 V N 3.728 123.645 119.914 0.005 0.000 2.376 171 V HA 0.192 4.314 4.120 0.004 0.000 0.287 171 V C -0.215 175.984 176.094 0.175 0.000 1.015 171 V CA -0.856 61.476 62.300 0.053 0.000 0.834 171 V CB 1.695 33.512 31.823 -0.009 0.000 1.001 171 V HN 0.316 8.506 8.190 -0.000 0.000 0.428 172 L N 7.608 128.921 121.223 0.150 0.000 2.275 172 L HA 0.784 5.126 4.340 0.004 0.000 0.288 172 L C -0.681 176.335 176.870 0.243 0.000 1.046 172 L CA 0.172 55.099 54.840 0.145 0.000 0.805 172 L CB 0.629 42.727 42.059 0.066 0.000 1.193 172 L HN 0.612 8.842 8.230 -0.000 0.000 0.426 173 F N 2.889 122.847 119.950 0.012 0.000 2.631 173 F HA 0.649 5.178 4.527 0.003 0.000 0.308 173 F C -0.828 175.010 175.800 0.063 0.000 1.097 173 F CA -1.148 56.871 58.000 0.032 0.000 0.952 173 F CB 1.202 40.212 39.000 0.017 0.000 1.307 173 F HN 0.404 8.704 8.300 -0.000 0.000 0.450 174 R N 2.162 122.756 120.500 0.158 0.000 2.428 174 R HA 0.797 5.139 4.340 0.004 0.000 0.294 174 R C -1.921 174.548 176.300 0.282 0.000 1.000 174 R CA -0.924 55.253 56.100 0.128 0.000 0.960 174 R CB 1.947 32.355 30.300 0.180 0.000 1.076 174 R HN 0.821 9.091 8.270 -0.000 0.000 0.475 175 V N 3.313 123.341 119.914 0.190 0.000 2.668 175 V HA 0.624 4.746 4.120 0.004 0.000 0.304 175 V C -0.827 175.236 176.094 -0.051 0.000 1.071 175 V CA -0.360 62.028 62.300 0.147 0.000 0.894 175 V CB 1.883 33.860 31.823 0.257 0.000 1.008 175 V HN 0.909 9.099 8.190 -0.000 0.000 0.425 176 G N 5.421 113.860 108.800 -0.601 0.000 2.368 176 G HA2 0.657 4.620 3.960 0.004 0.000 0.320 176 G HA3 0.657 4.620 3.960 0.004 0.000 0.320 176 G C -0.785 173.996 174.900 -0.198 0.000 1.158 176 G CA -0.069 44.666 45.100 -0.608 0.000 0.912 176 G HN 1.464 9.754 8.290 -0.000 0.000 0.456 177 V N -0.162 119.790 119.914 0.063 0.000 3.040 177 V HA 0.656 4.778 4.120 0.004 0.000 0.312 177 V C -0.054 176.133 176.094 0.155 0.000 1.115 177 V CA -1.389 60.929 62.300 0.029 0.000 0.998 177 V CB 1.805 33.673 31.823 0.075 0.000 1.042 177 V HN 0.775 8.965 8.190 -0.000 0.000 0.433 178 E N 1.555 121.741 120.200 -0.024 0.000 2.404 178 E HA 0.497 4.850 4.350 0.004 0.000 0.261 178 E C 0.470 177.146 176.600 0.127 0.000 1.074 178 E CA 0.044 56.513 56.400 0.115 0.000 0.917 178 E CB 1.243 30.936 29.700 -0.012 0.000 0.965 178 E HN 1.238 9.598 8.360 -0.000 0.000 0.433 179 A N 2.298 125.203 122.820 0.141 0.000 2.540 179 A HA 0.363 4.685 4.320 0.004 0.000 0.239 179 A C 1.099 178.744 177.584 0.102 0.000 1.061 179 A CA 0.703 52.814 52.037 0.124 0.000 0.758 179 A CB -0.351 18.714 19.000 0.109 0.000 0.991 179 A HN 0.978 9.128 8.150 -0.000 0.000 0.502 180 G N 1.782 110.648 108.800 0.110 0.000 2.157 180 G HA2 -0.187 3.776 3.960 0.004 0.000 0.248 180 G HA3 -0.187 3.776 3.960 0.004 0.000 0.248 180 G C 0.295 175.257 174.900 0.104 0.000 0.979 180 G CA 0.404 45.559 45.100 0.091 0.000 0.650 180 G HN 1.270 9.560 8.290 -0.000 0.000 0.529 181 T N 0.948 115.575 114.554 0.122 0.000 2.729 181 T HA 0.418 4.770 4.350 0.004 0.000 0.296 181 T C -0.460 174.328 174.700 0.146 0.000 0.928 181 T CA -0.167 62.004 62.100 0.118 0.000 1.045 181 T CB 1.373 70.289 68.868 0.081 0.000 0.902 181 T HN 0.286 8.526 8.240 -0.000 0.000 0.500 182 Y N 5.185 125.479 120.300 -0.010 0.000 2.425 182 Y HA 0.239 4.791 4.550 0.004 0.000 0.347 182 Y C 0.942 176.795 175.900 -0.080 0.000 0.976 182 Y CA -1.609 56.460 58.100 -0.051 0.000 1.190 182 Y CB -0.010 38.435 38.460 -0.025 0.000 1.136 182 Y HN 0.528 8.808 8.280 -0.000 0.000 0.517 183 I N 4.435 124.773 120.570 -0.388 0.000 2.315 183 I HA -0.230 3.943 4.170 0.004 0.000 0.248 183 I C 2.308 178.199 176.117 -0.376 0.000 1.117 183 I CA 1.046 62.125 61.300 -0.369 0.000 1.404 183 I CB -0.815 36.862 38.000 -0.538 0.000 1.071 183 I HN 0.604 8.814 8.210 -0.000 0.000 0.419 184 R N 0.898 120.993 120.500 -0.676 0.000 2.103 184 R HA -0.191 4.152 4.340 0.004 0.000 0.242 184 R C 2.646 178.767 176.300 -0.299 0.000 1.142 184 R CA 2.086 57.861 56.100 -0.541 0.000 0.960 184 R CB -0.375 29.430 30.300 -0.824 0.000 0.858 184 R HN 0.260 8.530 8.270 -0.000 0.000 0.439 185 S N -0.426 115.124 115.700 -0.250 0.000 2.371 185 S HA -0.086 4.386 4.470 0.004 0.000 0.224 185 S C 1.795 176.360 174.600 -0.059 0.000 1.029 185 S CA 1.056 59.231 58.200 -0.041 0.000 0.978 185 S CB -0.359 62.967 63.200 0.210 0.000 0.833 185 S HN 0.362 8.672 8.310 -0.000 0.000 0.466 186 L N 1.731 122.956 121.223 0.003 0.000 2.043 186 L HA -0.027 4.316 4.340 0.004 0.000 0.212 186 L C 2.008 178.796 176.870 -0.138 0.000 1.075 186 L CA 1.861 56.707 54.840 0.011 0.000 0.752 186 L CB -0.628 41.435 42.059 0.007 0.000 0.891 186 L HN 0.433 8.663 8.230 -0.000 0.000 0.432 187 I N -1.275 119.226 120.570 -0.116 0.000 2.252 187 I HA -0.295 3.877 4.170 0.004 0.000 0.245 187 I C 2.513 178.544 176.117 -0.142 0.000 1.102 187 I CA 1.400 62.618 61.300 -0.137 0.000 1.385 187 I CB -0.436 37.534 38.000 -0.050 0.000 1.064 187 I HN 0.454 8.664 8.210 -0.000 0.000 0.414 188 H N 0.454 119.411 119.070 -0.188 0.000 2.352 188 H HA -0.235 4.323 4.556 0.004 0.000 0.299 188 H C 2.191 177.427 175.328 -0.154 0.000 1.097 188 H CA 2.223 58.164 56.048 -0.179 0.000 1.311 188 H CB -0.205 29.427 29.762 -0.218 0.000 1.377 188 H HN 0.418 8.698 8.280 -0.000 0.000 0.504 189 H N -0.970 118.038 119.070 -0.102 0.000 2.395 189 H HA -0.016 4.543 4.556 0.004 0.000 0.299 189 H C 2.346 177.539 175.328 -0.225 0.000 1.070 189 H CA 1.069 57.055 56.048 -0.102 0.000 1.356 189 H CB 0.152 29.979 29.762 0.107 0.000 1.401 189 H HN 0.324 8.604 8.280 -0.000 0.000 0.524 190 I N 0.190 120.527 120.570 -0.390 0.000 2.226 190 I HA -0.201 3.972 4.170 0.004 0.000 0.245 190 I C 2.763 178.724 176.117 -0.260 0.000 1.100 190 I CA 1.207 62.190 61.300 -0.527 0.000 1.374 190 I CB -0.399 37.198 38.000 -0.671 0.000 1.057 190 I HN 0.353 8.563 8.210 -0.000 0.000 0.413 191 G N 0.905 109.551 108.800 -0.256 0.000 2.442 191 G HA2 -0.193 3.769 3.960 0.004 0.000 0.219 191 G HA3 -0.193 3.769 3.960 0.004 0.000 0.219 191 G C 1.705 176.505 174.900 -0.166 0.000 1.141 191 G CA 0.558 45.523 45.100 -0.225 0.000 0.763 191 G HN 0.279 8.569 8.290 -0.000 0.000 0.554 192 L N 0.400 121.522 121.223 -0.168 0.000 2.072 192 L HA 0.052 4.394 4.340 0.004 0.000 0.205 192 L C 3.347 180.209 176.870 -0.013 0.000 1.079 192 L CA 0.861 55.648 54.840 -0.088 0.000 0.752 192 L CB -0.327 41.689 42.059 -0.072 0.000 0.906 192 L HN 0.290 8.520 8.230 -0.000 0.000 0.436 193 A N -0.164 122.674 122.820 0.031 0.000 2.015 193 A HA -0.098 4.225 4.320 0.004 0.000 0.219 193 A C 2.148 179.747 177.584 0.025 0.000 1.163 193 A CA 1.216 53.299 52.037 0.077 0.000 0.646 193 A CB -0.474 18.666 19.000 0.234 0.000 0.806 193 A HN 0.391 8.541 8.150 -0.000 0.000 0.448 194 L N -1.979 119.231 121.223 -0.022 0.000 2.509 194 L HA 0.186 4.528 4.340 0.004 0.000 0.222 194 L C 2.019 178.869 176.870 -0.033 0.000 1.123 194 L CA 0.613 55.429 54.840 -0.039 0.000 0.856 194 L CB -0.052 41.959 42.059 -0.080 0.000 0.985 194 L HN 0.586 8.816 8.230 -0.000 0.000 0.456 195 G N 0.182 108.964 108.800 -0.030 0.000 2.454 195 G HA2 -0.376 3.586 3.960 0.004 0.000 0.225 195 G HA3 -0.376 3.586 3.960 0.004 0.000 0.225 195 G C 1.016 175.908 174.900 -0.013 0.000 1.138 195 G CA 0.636 45.727 45.100 -0.016 0.000 0.667 195 G HN 0.207 8.497 8.290 -0.000 0.000 0.512 196 V N -0.249 119.652 119.914 -0.022 0.000 3.041 196 V HA 0.506 4.629 4.120 0.004 0.000 0.260 196 V C 1.671 177.779 176.094 0.023 0.000 1.105 196 V CA 1.336 63.638 62.300 0.004 0.000 1.125 196 V CB -0.828 30.991 31.823 -0.007 0.000 0.730 196 V HN 2.533 10.723 8.190 -0.000 0.000 0.479 197 G N -0.695 108.072 108.800 -0.055 0.000 2.712 197 G HA2 0.470 4.432 3.960 0.004 0.000 0.686 197 G HA3 0.470 4.432 3.960 0.004 0.000 0.686 197 G C -0.528 174.122 174.900 -0.415 0.000 1.321 197 G CA -0.386 44.651 45.100 -0.105 0.000 0.813 197 G HN 2.043 10.333 8.290 -0.000 0.000 0.599 198 A N 1.773 124.277 122.820 -0.525 0.000 2.608 198 A HA 0.960 5.283 4.320 0.004 0.000 0.292 198 A C -0.578 176.858 177.584 -0.246 0.000 1.066 198 A CA 0.316 51.987 52.037 -0.611 0.000 0.676 198 A CB 1.560 20.351 19.000 -0.349 0.000 1.277 198 A HN 2.490 10.640 8.150 -0.000 0.000 0.413 199 H N 0.279 119.257 119.070 -0.154 0.000 2.928 199 H HA 0.673 5.232 4.556 0.004 0.000 0.371 199 H C -1.187 174.161 175.328 0.033 0.000 1.186 199 H CA -1.122 54.946 56.048 0.034 0.000 1.134 199 H CB 1.523 31.388 29.762 0.171 0.000 1.824 199 H HN 0.739 9.019 8.280 -0.000 0.000 0.554 200 M N 2.977 122.625 119.600 0.080 0.000 2.156 200 M HA 0.085 4.568 4.480 0.004 0.000 0.345 200 M C 0.450 176.813 176.300 0.105 0.000 1.398 200 M CA -0.112 55.193 55.300 0.007 0.000 1.148 200 M CB 0.653 33.223 32.600 -0.051 0.000 1.663 200 M HN 0.748 9.038 8.290 -0.000 0.000 0.464 201 S N 2.956 118.666 115.700 0.017 0.000 2.503 201 S HA 0.228 4.700 4.470 0.004 0.000 0.215 201 S C 0.282 174.905 174.600 0.038 0.000 1.003 201 S CA -0.119 58.134 58.200 0.087 0.000 0.910 201 S CB 0.259 63.481 63.200 0.037 0.000 0.790 201 S HN 0.824 9.134 8.310 -0.000 0.000 0.514 202 E N -0.500 119.698 120.200 -0.003 0.000 2.381 202 E HA 0.581 4.934 4.350 0.004 0.000 0.286 202 E C -2.431 174.138 176.600 -0.051 0.000 0.960 202 E CA -0.664 55.726 56.400 -0.016 0.000 0.793 202 E CB 1.798 31.493 29.700 -0.009 0.000 1.225 202 E HN 0.209 8.569 8.360 -0.000 0.000 0.420 203 L N 3.249 124.448 121.223 -0.040 0.000 2.422 203 L HA 0.636 4.978 4.340 0.004 0.000 0.264 203 L C -1.631 175.252 176.870 0.022 0.000 0.984 203 L CA -0.318 54.496 54.840 -0.043 0.000 0.819 203 L CB 1.884 43.892 42.059 -0.085 0.000 1.330 203 L HN 0.573 8.803 8.230 -0.000 0.000 0.410 204 R N 3.652 124.189 120.500 0.062 0.000 2.533 204 R HA 0.495 4.837 4.340 0.004 0.000 0.288 204 R C -1.202 175.171 176.300 0.123 0.000 1.039 204 R CA -0.743 55.403 56.100 0.077 0.000 0.909 204 R CB 1.437 31.754 30.300 0.028 0.000 1.195 204 R HN 0.756 9.026 8.270 -0.000 0.000 0.438 205 R N 2.337 122.880 120.500 0.071 0.000 2.298 205 R HA 0.115 4.457 4.340 0.004 0.000 0.310 205 R C 0.188 176.415 176.300 -0.122 0.000 1.068 205 R CA 0.483 56.486 56.100 -0.162 0.000 0.957 205 R CB 0.909 31.070 30.300 -0.230 0.000 1.003 205 R HN 0.854 9.124 8.270 -0.000 0.000 0.454 206 T N 0.927 115.391 114.554 -0.148 0.000 3.001 206 T HA 0.220 4.572 4.350 0.004 0.000 0.251 206 T C 0.661 175.328 174.700 -0.055 0.000 1.040 206 T CA -0.257 61.806 62.100 -0.061 0.000 0.985 206 T CB 0.278 69.135 68.868 -0.018 0.000 1.011 206 T HN 0.544 8.784 8.240 -0.000 0.000 0.509 207 R N 0.295 120.726 120.500 -0.116 0.000 2.566 207 R HA 0.530 4.872 4.340 0.004 0.000 0.271 207 R C -1.932 174.305 176.300 -0.105 0.000 1.071 207 R CA -0.248 55.813 56.100 -0.066 0.000 0.915 207 R CB 1.969 32.253 30.300 -0.027 0.000 1.228 207 R HN 0.055 8.325 8.270 -0.000 0.000 0.449 208 S N 2.872 118.558 115.700 -0.023 0.000 2.539 208 S HA 0.537 5.009 4.470 0.004 0.000 0.235 208 S C 0.357 174.967 174.600 0.018 0.000 1.326 208 S CA 0.528 58.717 58.200 -0.019 0.000 1.183 208 S CB 0.695 63.884 63.200 -0.018 0.000 1.073 208 S HN 1.081 9.391 8.310 -0.000 0.000 0.480 209 G N 6.410 115.165 108.800 -0.076 0.000 2.561 209 G HA2 -0.244 3.718 3.960 0.004 0.000 0.289 209 G HA3 -0.244 3.718 3.960 0.004 0.000 0.289 209 G C -1.727 173.056 174.900 -0.195 0.000 1.169 209 G CA 0.251 45.206 45.100 -0.241 0.000 0.980 209 G HN 0.547 8.837 8.290 -0.000 0.000 0.550 210 P HA 0.204 4.624 4.420 -0.000 0.000 0.236 210 P C 0.395 177.500 177.300 -0.325 0.000 1.177 210 P CA 0.574 63.504 63.100 -0.284 0.000 0.773 210 P CB -0.008 31.481 31.700 -0.352 0.000 0.878 211 F N 2.267 122.164 119.950 -0.089 0.000 2.410 211 F HA 0.307 4.837 4.527 0.005 0.000 0.348 211 F C 1.446 177.216 175.800 -0.050 0.000 1.106 211 F CA -0.082 57.885 58.000 -0.055 0.000 1.163 211 F CB 0.827 39.794 39.000 -0.056 0.000 1.129 211 F HN -0.127 8.173 8.300 -0.000 0.000 0.516 212 K N 0.564 121.041 120.400 0.128 0.000 2.430 212 K HA 0.458 4.780 4.320 0.004 0.000 0.268 212 K C -1.154 175.486 176.600 0.067 0.000 1.043 212 K CA -1.112 55.215 56.287 0.067 0.000 0.899 212 K CB 1.169 33.685 32.500 0.028 0.000 1.472 212 K HN 0.377 8.627 8.250 -0.000 0.000 0.451 213 E N 1.909 122.135 120.200 0.043 0.000 1.791 213 E HA 0.025 4.378 4.350 0.004 0.000 0.263 213 E C -1.089 175.537 176.600 0.043 0.000 1.213 213 E CA 0.187 56.612 56.400 0.042 0.000 0.991 213 E CB 0.201 29.919 29.700 0.030 0.000 1.068 213 E HN 0.506 8.866 8.360 -0.000 0.000 0.417 214 D N 0.349 120.782 120.400 0.054 0.000 2.904 214 D HA 0.061 4.703 4.640 0.004 0.000 0.290 214 D C 0.570 176.909 176.300 0.064 0.000 1.180 214 D CA -0.617 53.413 54.000 0.050 0.000 1.065 214 D CB 0.005 40.830 40.800 0.042 0.000 1.386 214 D HN -0.075 8.295 8.370 -0.000 0.000 0.599 215 E N -0.697 119.541 120.200 0.063 0.000 2.209 215 E HA -0.102 4.251 4.350 0.004 0.000 0.196 215 E C 1.711 178.369 176.600 0.098 0.000 0.993 215 E CA 2.142 58.588 56.400 0.077 0.000 0.819 215 E CB -0.756 28.983 29.700 0.065 0.000 0.745 215 E HN 0.649 9.009 8.360 -0.000 0.000 0.477 216 T N -1.453 113.158 114.554 0.096 0.000 3.067 216 T HA 0.048 4.401 4.350 0.004 0.000 0.261 216 T C 0.712 175.485 174.700 0.121 0.000 1.110 216 T CA -0.369 61.800 62.100 0.115 0.000 1.113 216 T CB -0.160 68.780 68.868 0.121 0.000 0.917 216 T HN 0.027 8.267 8.240 -0.000 0.000 0.499 217 L N 1.780 123.067 121.223 0.106 0.000 2.462 217 L HA 0.526 4.869 4.340 0.004 0.000 0.272 217 L C -0.411 176.513 176.870 0.091 0.000 1.166 217 L CA -0.182 54.712 54.840 0.090 0.000 0.880 217 L CB 0.269 42.371 42.059 0.073 0.000 1.142 217 L HN 0.401 8.631 8.230 -0.000 0.000 0.473 218 I N 3.780 124.397 120.570 0.077 0.000 2.619 218 I HA 0.407 4.580 4.170 0.004 0.000 0.292 218 I C 0.013 176.160 176.117 0.050 0.000 1.100 218 I CA -0.389 60.956 61.300 0.075 0.000 1.043 218 I CB 2.162 40.221 38.000 0.099 0.000 1.239 218 I HN 0.795 9.005 8.210 -0.000 0.000 0.420 219 T N 3.631 118.212 114.554 0.045 0.000 2.849 219 T HA 0.308 4.660 4.350 0.004 0.000 0.284 219 T C 1.234 175.962 174.700 0.046 0.000 1.004 219 T CA -0.560 61.579 62.100 0.065 0.000 1.021 219 T CB 1.170 70.100 68.868 0.103 0.000 1.013 219 T HN 0.592 8.832 8.240 -0.000 0.000 0.527 220 L N 0.350 121.605 121.223 0.054 0.000 2.083 220 L HA -0.111 4.231 4.340 0.004 0.000 0.209 220 L C 3.015 179.833 176.870 -0.087 0.000 1.083 220 L CA 1.373 56.206 54.840 -0.013 0.000 0.752 220 L CB -0.704 41.338 42.059 -0.027 0.000 0.899 220 L HN 0.778 9.008 8.230 -0.000 0.000 0.433 221 H N -0.418 118.619 119.070 -0.056 0.000 2.290 221 H HA -0.176 4.382 4.556 0.004 0.000 0.298 221 H C 1.738 176.959 175.328 -0.178 0.000 1.087 221 H CA 1.798 57.786 56.048 -0.100 0.000 1.291 221 H CB -0.067 29.645 29.762 -0.085 0.000 1.369 221 H HN 0.370 8.650 8.280 -0.000 0.000 0.492 222 D N 0.665 121.002 120.400 -0.107 0.000 2.144 222 D HA -0.097 4.546 4.640 0.004 0.000 0.200 222 D C 2.390 178.347 176.300 -0.572 0.000 0.978 222 D CA 0.269 53.978 54.000 -0.484 0.000 0.833 222 D CB -0.355 40.161 40.800 -0.473 0.000 0.961 222 D HN 0.160 8.530 8.370 -0.000 0.000 0.470 223 L N 1.068 122.185 121.223 -0.175 0.000 1.989 223 L HA -0.180 4.163 4.340 0.004 0.000 0.211 223 L C 2.423 179.400 176.870 0.178 0.000 1.071 223 L CA 1.622 56.503 54.840 0.067 0.000 0.749 223 L CB -0.716 41.401 42.059 0.097 0.000 0.890 223 L HN 0.057 8.287 8.230 -0.000 0.000 0.431 224 V N -3.180 116.774 119.914 0.066 0.000 2.427 224 V HA -0.169 3.953 4.120 0.004 0.000 0.248 224 V C 2.069 178.256 176.094 0.154 0.000 1.051 224 V CA 1.907 64.289 62.300 0.138 0.000 1.048 224 V CB -1.082 30.771 31.823 0.050 0.000 0.666 224 V HN 0.410 8.600 8.190 -0.000 0.000 0.456 225 D N -0.309 120.023 120.400 -0.114 0.000 2.144 225 D HA -0.098 4.544 4.640 0.004 0.000 0.200 225 D C 2.129 178.055 176.300 -0.623 0.000 0.978 225 D CA 1.552 55.297 54.000 -0.424 0.000 0.833 225 D CB -0.378 40.146 40.800 -0.461 0.000 0.961 225 D HN 0.552 8.922 8.370 -0.000 0.000 0.470 226 Y N -0.286 119.900 120.300 -0.189 0.000 2.293 226 Y HA -0.145 4.407 4.550 0.004 0.000 0.291 226 Y C 2.246 178.312 175.900 0.278 0.000 1.137 226 Y CA -0.089 58.108 58.100 0.163 0.000 1.202 226 Y CB -1.196 37.547 38.460 0.471 0.000 0.990 226 Y HN 0.090 8.370 8.280 -0.000 0.000 0.537 227 Y N -0.666 119.744 120.300 0.182 0.000 2.181 227 Y HA -0.295 4.257 4.550 0.004 0.000 0.288 227 Y C 2.120 177.959 175.900 -0.102 0.000 1.146 227 Y CA 1.392 59.327 58.100 -0.276 0.000 1.164 227 Y CB -0.901 37.342 38.460 -0.362 0.000 0.982 227 Y HN 0.053 8.333 8.280 -0.000 0.000 0.515 228 Y N -0.955 119.242 120.300 -0.170 0.000 2.242 228 Y HA -0.224 4.329 4.550 0.004 0.000 0.291 228 Y C 2.179 178.059 175.900 -0.033 0.000 1.137 228 Y CA 1.948 59.923 58.100 -0.208 0.000 1.181 228 Y CB -0.776 37.567 38.460 -0.195 0.000 0.989 228 Y HN 0.133 8.413 8.280 -0.000 0.000 0.527 229 F N -2.842 117.255 119.950 0.246 0.000 2.293 229 F HA -0.261 4.268 4.527 0.004 0.000 0.300 229 F C 2.060 177.993 175.800 0.221 0.000 1.086 229 F CA 0.394 58.523 58.000 0.216 0.000 1.375 229 F CB -0.381 38.769 39.000 0.250 0.000 1.045 229 F HN 0.229 8.529 8.300 -0.000 0.000 0.516 230 W N 1.823 123.193 121.300 0.117 0.000 2.480 230 W HA -0.039 4.623 4.660 0.005 0.000 0.299 230 W C 2.070 178.504 176.519 -0.141 0.000 1.187 230 W CA 1.023 58.363 57.345 -0.009 0.000 1.347 230 W CB -0.515 28.901 29.460 -0.073 0.000 1.121 230 W HN -0.291 7.889 8.180 -0.000 0.000 0.533 231 K N 0.478 120.561 120.400 -0.528 0.000 2.148 231 K HA -0.101 4.221 4.320 0.004 0.000 0.204 231 K C 1.956 178.334 176.600 -0.370 0.000 1.050 231 K CA 1.990 57.845 56.287 -0.719 0.000 0.942 231 K CB -0.184 31.761 32.500 -0.925 0.000 0.724 231 K HN 0.276 8.526 8.250 -0.000 0.000 0.446 232 E N -0.677 119.419 120.200 -0.172 0.000 2.206 232 E HA -0.003 4.349 4.350 0.004 0.000 0.195 232 E C 0.682 177.292 176.600 0.017 0.000 0.935 232 E CA 0.637 57.006 56.400 -0.050 0.000 0.875 232 E CB 0.338 30.067 29.700 0.048 0.000 0.841 232 E HN 0.200 8.560 8.360 -0.000 0.000 0.477 233 D N -0.556 119.898 120.400 0.089 0.000 2.367 233 D HA 0.074 4.716 4.640 0.004 0.000 0.207 233 D C 1.205 177.566 176.300 0.102 0.000 1.034 233 D CA 0.831 54.895 54.000 0.107 0.000 0.861 233 D CB 0.987 41.879 40.800 0.154 0.000 0.943 233 D HN 0.294 8.664 8.370 -0.000 0.000 0.515 234 G N 1.114 109.978 108.800 0.107 0.000 2.162 234 G HA2 -0.252 3.710 3.960 0.004 0.000 0.260 234 G HA3 -0.252 3.710 3.960 0.004 0.000 0.260 234 G C 0.215 175.264 174.900 0.248 0.000 0.976 234 G CA -0.210 44.975 45.100 0.142 0.000 0.655 234 G HN 0.269 8.559 8.290 -0.000 0.000 0.533 235 I N 1.928 122.667 120.570 0.281 0.000 2.308 235 I HA 0.205 4.377 4.170 0.004 0.000 0.293 235 I C 1.464 177.792 176.117 0.351 0.000 1.078 235 I CA 0.401 61.867 61.300 0.276 0.000 1.292 235 I CB 0.532 38.706 38.000 0.290 0.000 1.423 235 I HN 0.622 8.832 8.210 -0.000 0.000 0.493 236 E N 5.907 126.237 120.200 0.217 0.000 2.400 236 E HA -0.083 4.269 4.350 0.004 0.000 0.195 236 E C 1.129 177.720 176.600 -0.016 0.000 1.012 236 E CA 0.120 56.543 56.400 0.038 0.000 0.875 236 E CB 0.175 29.813 29.700 -0.103 0.000 0.859 236 E HN 0.650 9.010 8.360 -0.000 0.000 0.498 237 E N 0.984 121.150 120.200 -0.056 0.000 2.118 237 E HA -0.246 4.106 4.350 0.004 0.000 0.195 237 E C 1.475 177.944 176.600 -0.219 0.000 0.992 237 E CA 1.194 57.476 56.400 -0.197 0.000 0.804 237 E CB -0.725 28.783 29.700 -0.320 0.000 0.741 237 E HN 0.496 8.856 8.360 -0.000 0.000 0.458 238 Y N -0.170 120.096 120.300 -0.056 0.000 2.200 238 Y HA -0.108 4.444 4.550 0.004 0.000 0.290 238 Y C 2.270 178.175 175.900 0.009 0.000 1.137 238 Y CA 1.162 59.117 58.100 -0.241 0.000 1.163 238 Y CB -0.376 37.783 38.460 -0.502 0.000 0.988 238 Y HN 0.021 8.301 8.280 -0.000 0.000 0.518 239 F N 0.902 120.973 119.950 0.201 0.000 2.325 239 F HA -0.072 4.458 4.527 0.005 0.000 0.299 239 F C 2.520 178.374 175.800 0.090 0.000 1.090 239 F CA 1.009 59.141 58.000 0.220 0.000 1.392 239 F CB -0.290 38.833 39.000 0.203 0.000 1.053 239 F HN -0.143 8.157 8.300 -0.000 0.000 0.521 240 R N 0.632 121.115 120.500 -0.028 0.000 2.081 240 R HA -0.170 4.172 4.340 0.004 0.000 0.235 240 R C 2.063 178.342 176.300 -0.035 0.000 1.131 240 R CA 1.828 57.857 56.100 -0.118 0.000 0.960 240 R CB -0.230 29.942 30.300 -0.213 0.000 0.856 240 R HN 0.182 8.452 8.270 -0.000 0.000 0.436 241 K N -0.295 120.096 120.400 -0.015 0.000 2.288 241 K HA 0.012 4.334 4.320 0.004 0.000 0.201 241 K C 1.829 178.489 176.600 0.100 0.000 1.048 241 K CA 0.852 57.161 56.287 0.038 0.000 0.956 241 K CB 0.117 32.630 32.500 0.022 0.000 0.746 241 K HN 0.255 8.505 8.250 -0.000 0.000 0.461 242 A N 0.908 123.788 122.820 0.099 0.000 2.067 242 A HA 0.004 4.327 4.320 0.004 0.000 0.219 242 A C 0.907 178.475 177.584 -0.027 0.000 1.158 242 A CA 0.777 52.870 52.037 0.093 0.000 0.661 242 A CB -0.120 18.941 19.000 0.103 0.000 0.801 242 A HN 0.139 8.289 8.150 -0.000 0.000 0.452 243 I N 0.455 120.991 120.570 -0.058 0.000 2.465 243 I HA 0.261 4.433 4.170 0.004 0.000 0.291 243 I C -0.866 175.283 176.117 0.055 0.000 1.014 243 I CA -0.817 60.431 61.300 -0.086 0.000 1.093 243 I CB 1.919 39.746 38.000 -0.289 0.000 1.267 243 I HN 0.121 8.331 8.210 -0.000 0.000 0.431 244 Q N 6.791 126.618 119.800 0.045 0.000 2.214 244 Q HA 0.486 4.829 4.340 0.004 0.000 0.251 244 Q C -2.422 173.610 176.000 0.053 0.000 0.936 244 Q CA -2.162 53.716 55.803 0.125 0.000 0.894 244 Q CB 1.001 29.862 28.738 0.205 0.000 1.252 244 Q HN 0.282 8.552 8.270 -0.000 0.000 0.448 245 P HA 0.020 4.440 4.420 -0.000 0.000 0.272 245 P C 0.636 177.990 177.300 0.090 0.000 1.223 245 P CA 0.013 63.175 63.100 0.103 0.000 0.784 245 P CB 0.477 32.275 31.700 0.164 0.000 0.923 246 M N 0.358 120.009 119.600 0.085 0.000 2.346 246 M HA -0.174 4.308 4.480 0.004 0.000 0.263 246 M C 1.057 177.362 176.300 0.009 0.000 1.064 246 M CA 1.928 57.253 55.300 0.041 0.000 1.083 246 M CB -1.047 31.558 32.600 0.008 0.000 1.399 246 M HN 0.108 8.398 8.290 -0.000 0.000 0.435 247 E N 1.565 121.783 120.200 0.030 0.000 2.160 247 E HA -0.176 4.176 4.350 0.004 0.000 0.195 247 E C 1.948 178.547 176.600 -0.001 0.000 0.991 247 E CA 1.489 57.898 56.400 0.014 0.000 0.810 247 E CB -0.248 29.482 29.700 0.051 0.000 0.742 247 E HN 0.559 8.919 8.360 -0.000 0.000 0.466 248 K N 0.839 121.235 120.400 -0.006 0.000 2.097 248 K HA -0.052 4.270 4.320 0.004 0.000 0.206 248 K C 1.726 178.202 176.600 -0.206 0.000 1.049 248 K CA 1.408 57.621 56.287 -0.123 0.000 0.933 248 K CB -0.423 31.987 32.500 -0.149 0.000 0.717 248 K HN 0.105 8.355 8.250 -0.000 0.000 0.442 249 A N -0.191 122.640 122.820 0.018 0.000 2.259 249 A HA -0.017 4.305 4.320 0.004 0.000 0.212 249 A C 1.718 179.405 177.584 0.171 0.000 1.178 249 A CA 1.322 53.476 52.037 0.194 0.000 0.734 249 A CB -0.138 19.025 19.000 0.273 0.000 0.774 249 A HN 0.171 8.321 8.150 -0.000 0.000 0.481 250 V N -1.114 118.845 119.914 0.074 0.000 3.432 250 V HA 0.046 4.168 4.120 0.004 0.000 0.298 250 V C 1.582 177.696 176.094 0.032 0.000 1.464 250 V CA 0.242 62.565 62.300 0.038 0.000 1.046 250 V CB -0.017 31.770 31.823 -0.060 0.000 0.887 250 V HN 0.592 8.782 8.190 -0.000 0.000 0.441 251 E N 0.599 120.848 120.200 0.081 0.000 2.209 251 E HA -0.226 4.126 4.350 0.004 0.000 0.196 251 E C 1.698 178.349 176.600 0.085 0.000 0.993 251 E CA 1.464 57.897 56.400 0.054 0.000 0.819 251 E CB -0.022 29.668 29.700 -0.017 0.000 0.745 251 E HN 0.841 9.200 8.360 -0.000 0.000 0.477 252 H N -0.668 118.365 119.070 -0.063 0.000 2.553 252 H HA 0.170 4.728 4.556 0.003 0.000 0.265 252 H C 0.677 175.972 175.328 -0.055 0.000 0.964 252 H CA -0.042 55.971 56.048 -0.058 0.000 1.156 252 H CB -0.325 29.410 29.762 -0.047 0.000 1.411 252 H HN 0.023 8.303 8.280 -0.000 0.000 0.558 253 L N 3.109 124.071 121.223 -0.435 0.000 2.357 253 L HA 0.335 4.677 4.340 0.004 0.000 0.273 253 L C -2.036 174.733 176.870 -0.168 0.000 1.080 253 L CA -2.221 52.402 54.840 -0.362 0.000 0.803 253 L CB 1.267 43.100 42.059 -0.376 0.000 1.174 253 L HN -0.003 8.227 8.230 -0.000 0.000 0.443 254 P HA 0.100 4.520 4.420 -0.000 0.000 0.268 254 P C -1.248 176.065 177.300 0.021 0.000 1.204 254 P CA -0.003 63.103 63.100 0.009 0.000 0.768 254 P CB 0.631 32.324 31.700 -0.012 0.000 0.842 255 K N 1.176 121.646 120.400 0.116 0.000 2.259 255 K HA 0.545 4.867 4.320 0.004 0.000 0.249 255 K C -0.623 175.675 176.600 -0.505 0.000 0.942 255 K CA -1.120 54.904 56.287 -0.439 0.000 0.816 255 K CB 2.171 34.060 32.500 -1.018 0.000 1.155 255 K HN 0.262 8.512 8.250 -0.000 0.000 0.428 256 V N -1.139 118.494 119.914 -0.469 0.000 2.407 256 V HA 0.488 4.610 4.120 0.004 0.000 0.291 256 V C -0.912 175.020 176.094 -0.270 0.000 1.018 256 V CA -0.954 61.204 62.300 -0.237 0.000 0.842 256 V CB 0.698 32.467 31.823 -0.091 0.000 0.996 256 V HN 0.682 8.872 8.190 -0.000 0.000 0.426 257 W N 5.863 127.130 121.300 -0.055 0.000 2.338 257 W HA 0.671 5.332 4.660 0.003 0.000 0.307 257 W C 0.006 176.510 176.519 -0.025 0.000 1.167 257 W CA -0.485 56.835 57.345 -0.041 0.000 1.208 257 W CB 1.812 31.241 29.460 -0.051 0.000 1.228 257 W HN 0.784 8.964 8.180 -0.000 0.000 0.499 258 I N -0.043 120.618 120.570 0.151 0.000 2.750 258 I HA 0.530 4.702 4.170 0.004 0.000 0.308 258 I C -0.104 176.066 176.117 0.088 0.000 1.016 258 I CA -1.319 60.032 61.300 0.085 0.000 1.098 258 I CB 1.669 39.682 38.000 0.021 0.000 1.279 258 I HN 0.182 8.392 8.210 -0.000 0.000 0.454 259 K N 2.560 123.008 120.400 0.079 0.000 2.258 259 K HA 0.095 4.418 4.320 0.004 0.000 0.264 259 K C 0.122 176.778 176.600 0.094 0.000 1.007 259 K CA -0.379 55.965 56.287 0.096 0.000 0.941 259 K CB 0.548 33.104 32.500 0.093 0.000 0.966 259 K HN 0.551 8.801 8.250 -0.000 0.000 0.480 260 D N 0.728 121.231 120.400 0.172 0.000 2.158 260 D HA -0.179 4.464 4.640 0.004 0.000 0.197 260 D C 1.709 178.114 176.300 0.176 0.000 0.995 260 D CA 1.852 56.010 54.000 0.263 0.000 0.846 260 D CB -0.257 40.893 40.800 0.585 0.000 0.941 260 D HN 0.584 8.954 8.370 -0.000 0.000 0.456 261 S N -0.533 115.262 115.700 0.157 0.000 2.547 261 S HA 0.102 4.574 4.470 0.004 0.000 0.235 261 S C 1.726 176.392 174.600 0.109 0.000 0.980 261 S CA 0.723 58.992 58.200 0.114 0.000 0.941 261 S CB 0.133 63.401 63.200 0.114 0.000 0.763 261 S HN 0.270 8.580 8.310 -0.000 0.000 0.532 262 A N 0.630 123.499 122.820 0.080 0.000 2.288 262 A HA 0.519 4.842 4.320 0.004 0.000 0.216 262 A C 1.949 179.556 177.584 0.038 0.000 1.199 262 A CA 0.245 52.321 52.037 0.066 0.000 0.891 262 A CB -0.223 18.800 19.000 0.039 0.000 0.923 262 A HN 0.351 8.502 8.150 -0.000 0.000 0.500 263 V N 0.317 120.222 119.914 -0.015 0.000 2.261 263 V HA -0.251 3.871 4.120 0.004 0.000 0.246 263 V C 3.031 179.153 176.094 0.047 0.000 1.047 263 V CA 2.154 64.397 62.300 -0.096 0.000 1.015 263 V CB -1.158 30.393 31.823 -0.453 0.000 0.642 263 V HN 0.547 8.737 8.190 -0.000 0.000 0.446 264 A N -0.153 122.767 122.820 0.168 0.000 1.969 264 A HA -0.043 4.279 4.320 0.004 0.000 0.218 264 A C 2.405 180.248 177.584 0.431 0.000 1.169 264 A CA 1.883 54.133 52.037 0.355 0.000 0.635 264 A CB -0.698 18.505 19.000 0.338 0.000 0.810 264 A HN 0.568 8.718 8.150 -0.000 0.000 0.445 265 A N -0.387 122.601 122.820 0.279 0.000 1.883 265 A HA -0.054 4.268 4.320 0.004 0.000 0.217 265 A C 2.218 179.743 177.584 -0.099 0.000 1.186 265 A CA 1.901 53.867 52.037 -0.117 0.000 0.624 265 A CB -1.017 17.914 19.000 -0.115 0.000 0.822 265 A HN 0.407 8.557 8.150 -0.000 0.000 0.444 266 V N 0.707 120.606 119.914 -0.024 0.000 2.343 266 V HA -0.234 3.888 4.120 0.004 0.000 0.247 266 V C 2.921 178.998 176.094 -0.027 0.000 1.051 266 V CA 2.409 64.685 62.300 -0.041 0.000 1.036 266 V CB -1.402 30.400 31.823 -0.036 0.000 0.654 266 V HN 0.855 9.045 8.190 -0.000 0.000 0.451 267 T N -3.200 111.370 114.554 0.027 0.000 3.072 267 T HA -0.154 4.199 4.350 0.004 0.000 0.266 267 T C 1.443 176.100 174.700 -0.072 0.000 1.127 267 T CA 1.102 63.194 62.100 -0.014 0.000 1.107 267 T CB -0.444 68.432 68.868 0.012 0.000 0.910 267 T HN 0.626 8.866 8.240 -0.000 0.000 0.513 268 H N 0.307 119.344 119.070 -0.056 0.000 2.586 268 H HA 0.354 4.913 4.556 0.004 0.000 0.273 268 H C 1.794 177.037 175.328 -0.140 0.000 0.997 268 H CA 0.336 56.338 56.048 -0.076 0.000 1.177 268 H CB 0.543 30.261 29.762 -0.075 0.000 1.471 268 H HN 0.624 8.904 8.280 -0.000 0.000 0.538 269 G N 0.704 109.466 108.800 -0.064 0.000 2.184 269 G HA2 -0.213 3.749 3.960 0.004 0.000 0.206 269 G HA3 -0.213 3.749 3.960 0.004 0.000 0.206 269 G C 0.427 175.256 174.900 -0.119 0.000 0.995 269 G CA -0.034 45.010 45.100 -0.093 0.000 0.651 269 G HN 0.554 8.844 8.290 -0.000 0.000 0.511 270 A N 0.483 123.208 122.820 -0.160 0.000 2.388 270 A HA 0.563 4.885 4.320 0.004 0.000 0.257 270 A C 0.292 177.808 177.584 -0.114 0.000 1.095 270 A CA 0.066 52.000 52.037 -0.171 0.000 0.791 270 A CB 0.380 19.229 19.000 -0.253 0.000 1.029 270 A HN 0.239 8.389 8.150 -0.000 0.000 0.489 271 D N 0.388 120.731 120.400 -0.095 0.000 2.344 271 D HA 0.268 4.910 4.640 0.004 0.000 0.244 271 D C -0.141 176.122 176.300 -0.062 0.000 1.134 271 D CA -0.016 53.943 54.000 -0.069 0.000 0.930 271 D CB 0.967 41.733 40.800 -0.058 0.000 1.175 271 D HN 0.378 8.748 8.370 -0.000 0.000 0.437 272 L N 1.364 122.559 121.223 -0.046 0.000 2.315 272 L HA 0.388 4.730 4.340 0.004 0.000 0.283 272 L C -0.272 176.583 176.870 -0.025 0.000 1.089 272 L CA -0.149 54.670 54.840 -0.034 0.000 0.833 272 L CB 0.222 42.264 42.059 -0.030 0.000 1.170 272 L HN 0.360 8.590 8.230 -0.000 0.000 0.442 273 A N 4.471 127.279 122.820 -0.020 0.000 2.264 273 A HA 0.490 4.813 4.320 0.004 0.000 0.304 273 A C 1.134 178.719 177.584 0.002 0.000 1.100 273 A CA -0.344 51.687 52.037 -0.011 0.000 0.839 273 A CB 0.934 19.927 19.000 -0.011 0.000 1.121 273 A HN 0.684 8.834 8.150 -0.000 0.000 0.496 274 V N 1.259 121.176 119.914 0.006 0.000 2.332 274 V HA -0.139 3.984 4.120 0.004 0.000 0.248 274 V C -0.723 175.383 176.094 0.021 0.000 1.055 274 V CA 2.567 64.875 62.300 0.013 0.000 1.038 274 V CB -1.466 30.364 31.823 0.012 0.000 0.651 274 V HN 0.803 8.993 8.190 -0.000 0.000 0.450 275 P HA -0.046 4.374 4.420 -0.000 0.000 0.231 275 P C 1.297 178.618 177.300 0.035 0.000 1.158 275 P CA 1.432 64.549 63.100 0.028 0.000 0.763 275 P CB -0.294 31.422 31.700 0.028 0.000 0.805 276 G N -1.129 107.691 108.800 0.033 0.000 2.986 276 G HA2 0.093 4.055 3.960 0.004 0.000 0.213 276 G HA3 0.093 4.055 3.960 0.004 0.000 0.213 276 G C 0.467 175.394 174.900 0.046 0.000 1.156 276 G CA -0.146 44.978 45.100 0.040 0.000 0.763 276 G HN 0.217 8.507 8.290 -0.000 0.000 0.547 277 I N 1.464 122.061 120.570 0.044 0.000 2.416 277 I HA 0.305 4.477 4.170 0.004 0.000 0.288 277 I C 1.368 177.527 176.117 0.069 0.000 1.051 277 I CA -0.482 60.853 61.300 0.058 0.000 1.375 277 I CB 1.858 39.888 38.000 0.051 0.000 1.407 277 I HN 0.082 8.292 8.210 -0.000 0.000 0.516 278 A N 6.447 129.324 122.820 0.096 0.000 1.920 278 A HA 0.261 4.584 4.320 0.004 0.000 0.209 278 A C 0.769 178.399 177.584 0.077 0.000 1.229 278 A CA 0.717 52.803 52.037 0.082 0.000 0.671 278 A CB 0.310 19.363 19.000 0.089 0.000 0.886 278 A HN 0.675 8.825 8.150 -0.000 0.000 0.461 279 K N -1.230 119.260 120.400 0.151 0.000 2.509 279 K HA 0.709 5.032 4.320 0.004 0.000 0.266 279 K C -1.499 175.301 176.600 0.334 0.000 0.987 279 K CA -0.508 55.871 56.287 0.153 0.000 0.868 279 K CB 2.673 35.153 32.500 -0.035 0.000 1.421 279 K HN 0.454 8.704 8.250 -0.000 0.000 0.444 280 L N -2.482 118.915 121.223 0.289 0.000 2.653 280 L HA 0.528 4.870 4.340 0.004 0.000 0.257 280 L C -1.177 175.835 176.870 0.237 0.000 0.969 280 L CA -1.107 53.894 54.840 0.267 0.000 0.869 280 L CB 1.581 43.721 42.059 0.136 0.000 1.439 280 L HN 0.606 8.836 8.230 -0.000 0.000 0.414 281 H N 0.865 120.090 119.070 0.258 0.000 2.707 281 H HA 0.624 5.183 4.556 0.004 0.000 0.359 281 H C 0.421 175.804 175.328 0.092 0.000 1.113 281 H CA 0.461 56.614 56.048 0.174 0.000 1.422 281 H CB 1.504 31.331 29.762 0.110 0.000 1.443 281 H HN 0.921 9.201 8.280 -0.000 0.000 0.591 282 A N 1.435 124.391 122.820 0.227 0.000 2.272 282 A HA 0.468 4.790 4.320 0.004 0.000 0.275 282 A C 1.374 179.008 177.584 0.082 0.000 1.096 282 A CA 0.126 52.236 52.037 0.120 0.000 0.822 282 A CB -0.353 18.702 19.000 0.091 0.000 1.088 282 A HN 1.060 9.210 8.150 -0.000 0.000 0.495 283 G N -0.842 107.989 108.800 0.052 0.000 2.159 283 G HA2 -0.200 3.763 3.960 0.004 0.000 0.256 283 G HA3 -0.200 3.763 3.960 0.004 0.000 0.256 283 G C 0.118 175.032 174.900 0.024 0.000 0.977 283 G CA 0.264 45.382 45.100 0.030 0.000 0.652 283 G HN 0.773 9.063 8.290 -0.000 0.000 0.531 284 I N 1.343 121.933 120.570 0.034 0.000 2.517 284 I HA 0.218 4.390 4.170 0.004 0.000 0.285 284 I C 0.849 176.976 176.117 0.017 0.000 1.106 284 I CA 0.344 61.658 61.300 0.023 0.000 1.402 284 I CB 0.593 38.611 38.000 0.029 0.000 1.399 284 I HN 0.045 8.255 8.210 -0.000 0.000 0.535 285 K N 6.479 126.885 120.400 0.010 0.000 2.123 285 K HA 0.511 4.833 4.320 0.004 0.000 0.248 285 K C -0.322 176.281 176.600 0.005 0.000 0.969 285 K CA -0.988 55.304 56.287 0.009 0.000 0.882 285 K CB 1.120 33.626 32.500 0.009 0.000 1.080 285 K HN 0.441 8.691 8.250 -0.000 0.000 0.441 286 R N 0.595 121.098 120.500 0.005 0.000 2.458 286 R HA 0.031 4.374 4.340 0.004 0.000 0.303 286 R C 0.746 177.047 176.300 0.001 0.000 1.013 286 R CA 1.019 57.120 56.100 0.002 0.000 1.026 286 R CB 0.044 30.345 30.300 0.002 0.000 0.948 286 R HN 1.062 9.332 8.270 -0.000 0.000 0.417 287 G N 2.481 111.280 108.800 -0.002 0.000 2.195 287 G HA2 -0.216 3.747 3.960 0.004 0.000 0.224 287 G HA3 -0.216 3.747 3.960 0.004 0.000 0.224 287 G C -0.182 174.716 174.900 -0.003 0.000 0.990 287 G CA -0.311 44.788 45.100 -0.003 0.000 0.639 287 G HN 0.576 8.866 8.290 -0.000 0.000 0.514 288 D N 0.460 120.857 120.400 -0.004 0.000 2.414 288 D HA 0.396 5.038 4.640 0.004 0.000 0.242 288 D C 0.696 176.987 176.300 -0.016 0.000 1.129 288 D CA -0.266 53.729 54.000 -0.009 0.000 0.885 288 D CB 1.246 42.040 40.800 -0.010 0.000 1.198 288 D HN 0.314 8.684 8.370 -0.000 0.000 0.437 289 L N 3.886 125.097 121.223 -0.020 0.000 2.418 289 L HA 0.240 4.583 4.340 0.004 0.000 0.274 289 L C -0.508 176.331 176.870 -0.052 0.000 1.135 289 L CA -0.054 54.769 54.840 -0.028 0.000 0.870 289 L CB 0.421 42.467 42.059 -0.022 0.000 1.154 289 L HN 0.198 8.428 8.230 -0.000 0.000 0.462 290 V N 2.713 122.597 119.914 -0.051 0.000 3.001 290 V HA 0.982 5.105 4.120 0.004 0.000 0.314 290 V C -0.142 175.902 176.094 -0.083 0.000 1.099 290 V CA -0.520 61.736 62.300 -0.073 0.000 0.989 290 V CB 1.362 33.147 31.823 -0.063 0.000 1.040 290 V HN 1.043 9.233 8.190 -0.000 0.000 0.434 291 A N 3.938 126.681 122.820 -0.128 0.000 2.276 291 A HA 0.823 5.146 4.320 0.004 0.000 0.316 291 A C -0.333 177.137 177.584 -0.191 0.000 1.229 291 A CA -0.652 51.302 52.037 -0.138 0.000 0.851 291 A CB 0.278 19.179 19.000 -0.165 0.000 1.165 291 A HN 0.880 9.030 8.150 -0.000 0.000 0.513 292 I N 3.994 124.486 120.570 -0.131 0.000 2.325 292 I HA 0.238 4.411 4.170 0.004 0.000 0.291 292 I C -0.264 175.756 176.117 -0.162 0.000 1.019 292 I CA 0.005 61.218 61.300 -0.145 0.000 1.302 292 I CB 0.878 38.833 38.000 -0.076 0.000 1.401 292 I HN 0.524 8.734 8.210 -0.000 0.000 0.485 293 M N 4.844 124.292 119.600 -0.255 0.000 2.602 293 M HA 0.380 4.863 4.480 0.004 0.000 0.312 293 M C 0.198 176.470 176.300 -0.046 0.000 1.181 293 M CA -0.745 54.429 55.300 -0.210 0.000 0.910 293 M CB 1.767 34.070 32.600 -0.495 0.000 1.723 293 M HN 0.570 8.860 8.290 -0.000 0.000 0.459 294 T N -1.375 113.210 114.554 0.051 0.000 2.788 294 T HA 0.485 4.837 4.350 0.004 0.000 0.287 294 T C 1.150 176.018 174.700 0.280 0.000 1.007 294 T CA -0.679 61.486 62.100 0.109 0.000 1.005 294 T CB 0.751 69.671 68.868 0.087 0.000 1.012 294 T HN 0.599 8.839 8.240 -0.000 0.000 0.530 295 L N 0.077 121.447 121.223 0.244 0.000 2.551 295 L HA 0.101 4.443 4.340 0.004 0.000 0.228 295 L C 2.367 179.340 176.870 0.173 0.000 1.153 295 L CA 0.906 55.875 54.840 0.215 0.000 0.851 295 L CB -0.357 41.778 42.059 0.128 0.000 0.959 295 L HN 0.715 8.945 8.230 -0.000 0.000 0.451 296 K N -0.592 119.931 120.400 0.205 0.000 2.417 296 K HA 0.026 4.348 4.320 0.004 0.000 0.196 296 K C -0.307 176.404 176.600 0.184 0.000 1.023 296 K CA -0.064 56.324 56.287 0.169 0.000 1.122 296 K CB 0.313 32.922 32.500 0.182 0.000 0.850 296 K HN 0.076 8.326 8.250 -0.000 0.000 0.521 297 D N 1.861 122.411 120.400 0.249 0.000 2.800 297 D HA -0.145 4.497 4.640 0.004 0.000 0.232 297 D C -0.837 175.570 176.300 0.179 0.000 1.137 297 D CA 1.117 55.273 54.000 0.259 0.000 0.718 297 D CB -1.157 39.788 40.800 0.242 0.000 1.084 297 D HN 0.445 8.815 8.370 -0.000 0.000 0.432 298 E N -0.050 120.260 120.200 0.184 0.000 2.266 298 E HA 0.409 4.762 4.350 0.004 0.000 0.277 298 E C 0.322 176.983 176.600 0.102 0.000 1.018 298 E CA -0.976 55.534 56.400 0.184 0.000 0.840 298 E CB 1.392 31.273 29.700 0.303 0.000 1.082 298 E HN 0.035 8.395 8.360 -0.000 0.000 0.395 299 L N 3.946 125.210 121.223 0.069 0.000 2.369 299 L HA 0.034 4.376 4.340 0.004 0.000 0.279 299 L C 0.163 177.058 176.870 0.042 0.000 1.108 299 L CA 0.433 55.281 54.840 0.013 0.000 0.852 299 L CB 0.886 42.919 42.059 -0.043 0.000 1.169 299 L HN 0.543 8.773 8.230 -0.000 0.000 0.452 300 V N 4.636 124.568 119.914 0.030 0.000 2.436 300 V HA 0.499 4.621 4.120 0.004 0.000 0.240 300 V C 0.816 176.970 176.094 0.101 0.000 1.040 300 V CA 0.908 63.224 62.300 0.028 0.000 1.052 300 V CB -0.568 31.241 31.823 -0.023 0.000 0.707 300 V HN 0.921 9.111 8.190 -0.000 0.000 0.469 301 A N -0.747 122.143 122.820 0.116 0.000 2.605 301 A HA 0.698 5.021 4.320 0.004 0.000 0.294 301 A C -1.538 176.136 177.584 0.150 0.000 1.062 301 A CA -0.489 51.640 52.037 0.154 0.000 0.682 301 A CB 1.073 20.084 19.000 0.018 0.000 1.278 301 A HN 0.164 8.314 8.150 -0.000 0.000 0.410 302 L N 1.088 122.435 121.223 0.207 0.000 2.322 302 L HA 0.761 5.103 4.340 0.004 0.000 0.279 302 L C 0.735 177.629 176.870 0.040 0.000 1.036 302 L CA -0.235 54.681 54.840 0.126 0.000 0.807 302 L CB 1.926 44.113 42.059 0.213 0.000 1.226 302 L HN 0.999 9.229 8.230 -0.000 0.000 0.433 303 G N 1.587 110.391 108.800 0.006 0.000 2.695 303 G HA2 0.409 4.371 3.960 0.004 0.000 0.290 303 G HA3 0.409 4.371 3.960 0.004 0.000 0.290 303 G C -1.952 172.938 174.900 -0.016 0.000 1.410 303 G CA -0.578 44.514 45.100 -0.013 0.000 0.844 303 G HN 0.412 8.702 8.290 -0.000 0.000 0.478 304 K N 0.424 120.814 120.400 -0.018 0.000 2.265 304 K HA 0.629 4.951 4.320 0.004 0.000 0.267 304 K C 0.216 176.806 176.600 -0.017 0.000 0.994 304 K CA -0.540 55.738 56.287 -0.016 0.000 0.860 304 K CB 1.299 33.790 32.500 -0.014 0.000 1.099 304 K HN 0.658 8.908 8.250 -0.000 0.000 0.448 305 A N 5.368 128.179 122.820 -0.015 0.000 2.492 305 A HA 0.109 4.432 4.320 0.004 0.000 0.254 305 A C 0.790 178.369 177.584 -0.009 0.000 1.091 305 A CA -0.145 51.885 52.037 -0.012 0.000 0.768 305 A CB 0.157 19.152 19.000 -0.009 0.000 1.028 305 A HN 0.841 8.991 8.150 -0.000 0.000 0.498 306 M N 1.713 121.307 119.600 -0.009 0.000 2.502 306 M HA 0.258 4.740 4.480 0.004 0.000 0.243 306 M C 0.259 176.557 176.300 -0.004 0.000 1.130 306 M CA 1.059 56.354 55.300 -0.008 0.000 1.055 306 M CB -0.928 31.666 32.600 -0.011 0.000 1.457 306 M HN 0.707 8.997 8.290 -0.000 0.000 0.488 307 M N -0.367 119.232 119.600 -0.001 0.000 2.631 307 M HA 0.318 4.800 4.480 0.004 0.000 0.288 307 M C 0.207 176.512 176.300 0.007 0.000 1.260 307 M CA -0.630 54.672 55.300 0.004 0.000 0.842 307 M CB 2.565 35.168 32.600 0.005 0.000 1.743 307 M HN 0.050 8.340 8.290 -0.000 0.000 0.461 308 T N -1.975 112.586 114.554 0.011 0.000 2.816 308 T HA 0.299 4.651 4.350 0.004 0.000 0.282 308 T C 0.851 175.564 174.700 0.022 0.000 0.993 308 T CA -0.629 61.480 62.100 0.016 0.000 0.994 308 T CB 1.081 69.958 68.868 0.016 0.000 1.025 308 T HN 0.583 8.823 8.240 -0.000 0.000 0.529 309 S N 0.488 116.206 115.700 0.030 0.000 2.370 309 S HA -0.142 4.331 4.470 0.004 0.000 0.226 309 S C 2.270 176.892 174.600 0.037 0.000 1.033 309 S CA 0.991 59.216 58.200 0.042 0.000 1.011 309 S CB -0.400 62.834 63.200 0.056 0.000 0.852 309 S HN 0.666 8.976 8.310 -0.000 0.000 0.457 310 Q N 0.910 120.728 119.800 0.030 0.000 2.084 310 Q HA -0.088 4.255 4.340 0.004 0.000 0.202 310 Q C 2.092 178.105 176.000 0.021 0.000 0.978 310 Q CA 1.107 56.925 55.803 0.025 0.000 0.844 310 Q CB -0.344 28.407 28.738 0.021 0.000 0.898 310 Q HN 0.656 8.926 8.270 -0.000 0.000 0.426 311 E N 0.165 120.376 120.200 0.019 0.000 2.051 311 E HA -0.146 4.206 4.350 0.004 0.000 0.192 311 E C 2.105 178.715 176.600 0.017 0.000 0.991 311 E CA 1.074 57.483 56.400 0.016 0.000 0.799 311 E CB -0.090 29.617 29.700 0.012 0.000 0.748 311 E HN 0.322 8.682 8.360 -0.000 0.000 0.449 312 M N 0.147 119.759 119.600 0.021 0.000 2.159 312 M HA -0.168 4.314 4.480 0.004 0.000 0.263 312 M C 2.398 178.715 176.300 0.027 0.000 1.063 312 M CA 0.976 56.290 55.300 0.023 0.000 1.110 312 M CB -0.165 32.451 32.600 0.027 0.000 1.374 312 M HN 0.125 8.415 8.290 -0.000 0.000 0.411 313 L N 0.315 121.556 121.223 0.029 0.000 2.072 313 L HA -0.103 4.240 4.340 0.004 0.000 0.205 313 L C 2.040 178.923 176.870 0.022 0.000 1.079 313 L CA 1.889 56.746 54.840 0.029 0.000 0.752 313 L CB -0.285 41.793 42.059 0.031 0.000 0.906 313 L HN 0.220 8.450 8.230 -0.000 0.000 0.436 314 E N -0.815 119.397 120.200 0.020 0.000 2.086 314 E HA -0.044 4.308 4.350 0.004 0.000 0.190 314 E C 0.499 177.108 176.600 0.014 0.000 0.975 314 E CA 0.229 56.638 56.400 0.016 0.000 0.813 314 E CB 0.139 29.847 29.700 0.014 0.000 0.768 314 E HN 0.408 8.768 8.360 -0.000 0.000 0.457 315 K N 0.442 120.850 120.400 0.014 0.000 2.230 315 K HA 0.049 4.371 4.320 0.004 0.000 0.253 315 K C 1.077 177.685 176.600 0.013 0.000 1.008 315 K CA 0.671 56.965 56.287 0.012 0.000 0.910 315 K CB 0.746 33.252 32.500 0.011 0.000 0.994 315 K HN 0.088 8.338 8.250 -0.000 0.000 0.495 316 T N -2.139 112.423 114.554 0.012 0.000 2.959 316 T HA 0.201 4.553 4.350 0.004 0.000 0.254 316 T C 0.282 174.990 174.700 0.012 0.000 1.003 316 T CA -0.117 61.991 62.100 0.013 0.000 0.950 316 T CB 0.376 69.252 68.868 0.013 0.000 1.090 316 T HN 0.337 8.577 8.240 -0.000 0.000 0.503 317 K N 0.022 120.427 120.400 0.009 0.000 2.509 317 K HA 0.640 4.962 4.320 0.004 0.000 0.266 317 K C -0.630 175.972 176.600 0.004 0.000 0.987 317 K CA -0.571 55.720 56.287 0.007 0.000 0.868 317 K CB 2.280 34.783 32.500 0.006 0.000 1.421 317 K HN 0.381 8.631 8.250 -0.000 0.000 0.444 318 G N 0.823 109.623 108.800 -0.000 0.000 2.539 318 G HA2 -0.052 3.911 3.960 0.004 0.000 0.686 318 G HA3 -0.052 3.911 3.960 0.004 0.000 0.686 318 G C -1.197 173.699 174.900 -0.007 0.000 1.258 318 G CA -1.135 43.963 45.100 -0.004 0.000 0.846 318 G HN 0.304 8.594 8.290 -0.000 0.000 0.647 319 I N 1.674 122.237 120.570 -0.012 0.000 2.452 319 I HA 0.387 4.559 4.170 0.004 0.000 0.287 319 I C 1.608 177.718 176.117 -0.012 0.000 1.079 319 I CA 0.756 62.046 61.300 -0.016 0.000 1.387 319 I CB 0.488 38.474 38.000 -0.023 0.000 1.404 319 I HN 0.942 9.152 8.210 -0.000 0.000 0.522 320 A N 6.907 129.720 122.820 -0.011 0.000 1.956 320 A HA 0.227 4.549 4.320 0.004 0.000 0.212 320 A C 0.735 178.312 177.584 -0.012 0.000 1.188 320 A CA 0.561 52.594 52.037 -0.007 0.000 0.675 320 A CB 0.357 19.356 19.000 -0.002 0.000 0.845 320 A HN 0.448 8.598 8.150 -0.000 0.000 0.455 321 V N 1.216 121.118 119.914 -0.019 0.000 2.577 321 V HA 0.256 4.378 4.120 0.004 0.000 0.303 321 V C -1.386 174.691 176.094 -0.029 0.000 1.042 321 V CA -1.023 61.262 62.300 -0.024 0.000 0.872 321 V CB 1.785 33.590 31.823 -0.029 0.000 0.998 321 V HN 0.401 8.591 8.190 -0.000 0.000 0.423 322 D N 3.658 124.041 120.400 -0.028 0.000 2.338 322 D HA 0.182 4.824 4.640 0.004 0.000 0.255 322 D C -0.176 176.103 176.300 -0.035 0.000 1.237 322 D CA 0.055 54.035 54.000 -0.032 0.000 0.883 322 D CB 1.686 42.470 40.800 -0.028 0.000 1.087 322 D HN 0.288 8.658 8.370 -0.000 0.000 0.485 323 V N 5.070 124.958 119.914 -0.044 0.000 2.521 323 V HA 0.026 4.148 4.120 0.004 0.000 0.286 323 V C 1.350 177.412 176.094 -0.054 0.000 1.034 323 V CA 0.366 62.636 62.300 -0.049 0.000 1.045 323 V CB 1.193 32.981 31.823 -0.059 0.000 0.974 323 V HN 0.583 8.773 8.190 -0.000 0.000 0.480 324 E N 2.970 123.140 120.200 -0.050 0.000 2.256 324 E HA 0.216 4.568 4.350 0.004 0.000 0.198 324 E C 0.049 176.592 176.600 -0.094 0.000 0.908 324 E CA 0.210 56.577 56.400 -0.055 0.000 0.915 324 E CB 0.608 30.291 29.700 -0.030 0.000 0.890 324 E HN 0.552 8.912 8.360 -0.000 0.000 0.484 325 K N 1.404 121.735 120.400 -0.115 0.000 2.541 325 K HA 0.383 4.706 4.320 0.004 0.000 0.250 325 K C -1.379 174.986 176.600 -0.392 0.000 0.950 325 K CA -0.402 55.715 56.287 -0.284 0.000 0.805 325 K CB 3.061 35.382 32.500 -0.298 0.000 1.166 325 K HN -0.164 8.086 8.250 -0.000 0.000 0.430 326 V N 4.462 124.112 119.914 -0.440 0.000 2.407 326 V HA 0.285 4.407 4.120 0.004 0.000 0.278 326 V C 0.109 175.903 176.094 -0.501 0.000 1.037 326 V CA -0.202 61.900 62.300 -0.330 0.000 0.900 326 V CB 0.671 32.375 31.823 -0.198 0.000 0.983 326 V HN 0.731 8.921 8.190 -0.000 0.000 0.459 327 F N 1.733 121.653 119.950 -0.050 0.000 2.602 327 F HA 0.349 4.879 4.527 0.004 0.000 0.284 327 F C 1.084 176.832 175.800 -0.086 0.000 1.111 327 F CA -0.082 57.910 58.000 -0.013 0.000 1.405 327 F CB 0.402 39.418 39.000 0.028 0.000 1.121 327 F HN 0.336 8.636 8.300 -0.000 0.000 0.603 328 M N 3.063 122.627 119.600 -0.061 0.000 2.200 328 M HA 0.283 4.766 4.480 0.004 0.000 0.355 328 M C -2.447 173.612 176.300 -0.402 0.000 1.283 328 M CA -1.787 53.270 55.300 -0.405 0.000 1.124 328 M CB 0.771 33.211 32.600 -0.266 0.000 1.625 328 M HN -0.263 8.027 8.290 -0.000 0.000 0.463 329 P HA 0.072 4.492 4.420 -0.000 0.000 0.268 329 P C -0.443 176.734 177.300 -0.205 0.000 1.208 329 P CA 0.135 63.000 63.100 -0.391 0.000 0.777 329 P CB 0.457 31.882 31.700 -0.458 0.000 0.875 330 R N 1.493 121.943 120.500 -0.083 0.000 2.148 330 R HA -0.096 4.246 4.340 0.004 0.000 0.227 330 R C 1.142 177.562 176.300 0.200 0.000 1.103 330 R CA 1.489 57.588 56.100 -0.002 0.000 0.983 330 R CB -0.346 29.819 30.300 -0.226 0.000 0.874 330 R HN 0.620 8.890 8.270 -0.000 0.000 0.451 331 D N -1.194 119.342 120.400 0.226 0.000 2.349 331 D HA -0.090 4.553 4.640 0.004 0.000 0.214 331 D C 0.969 177.529 176.300 0.434 0.000 1.063 331 D CA 0.006 54.182 54.000 0.294 0.000 0.847 331 D CB -0.174 40.775 40.800 0.249 0.000 0.933 331 D HN 0.113 8.483 8.370 -0.000 0.000 0.513 332 W N 0.736 122.166 121.300 0.215 0.000 2.388 332 W HA 0.074 4.736 4.660 0.003 0.000 0.294 332 W C 0.256 176.809 176.519 0.057 0.000 1.212 332 W CA 0.291 57.783 57.345 0.246 0.000 1.271 332 W CB -0.634 29.052 29.460 0.378 0.000 1.126 332 W HN -0.093 8.087 8.180 -0.000 0.000 0.535 333 Y N 0.473 120.917 120.300 0.239 0.000 2.429 333 Y HA 0.377 4.930 4.550 0.004 0.000 0.342 333 Y C -1.688 174.074 175.900 -0.230 0.000 1.004 333 Y CA -3.283 54.774 58.100 -0.071 0.000 1.075 333 Y CB 0.877 39.347 38.460 0.016 0.000 1.214 333 Y HN -0.373 7.907 8.280 -0.000 0.000 0.455 334 P HA 0.164 4.584 4.420 -0.000 0.000 0.276 334 P C -1.325 175.785 177.300 -0.316 0.000 1.244 334 P CA -0.724 62.135 63.100 -0.402 0.000 0.801 334 P CB 1.046 32.379 31.700 -0.611 0.000 1.006 335 K N 1.702 121.884 120.400 -0.362 0.000 2.382 335 K HA 0.106 4.428 4.320 0.004 0.000 0.286 335 K C 0.351 176.585 176.600 -0.610 0.000 1.062 335 K CA -0.228 55.654 56.287 -0.675 0.000 1.000 335 K CB -0.016 31.823 32.500 -1.100 0.000 0.954 335 K HN 0.277 8.527 8.250 -0.000 0.000 0.470 336 L N 2.588 123.577 121.223 -0.390 0.000 2.858 336 L HA 0.191 4.534 4.340 0.004 0.000 0.251 336 L C -0.115 176.697 176.870 -0.096 0.000 1.149 336 L CA -0.104 54.606 54.840 -0.217 0.000 0.955 336 L CB -0.453 41.546 42.059 -0.099 0.000 1.289 336 L HN 0.630 8.860 8.230 -0.000 0.000 0.542 337 W N 0.000 121.262 121.300 -0.063 0.000 2.388 337 W HA 0.000 4.662 4.660 0.004 0.000 0.303 337 W CA 0.000 57.317 57.345 -0.046 0.000 1.226 337 W CB 0.000 29.427 29.460 -0.054 0.000 1.126 337 W HN 0.000 8.180 8.180 -0.000 0.000 0.535