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 3mib_1_A DATA FIRST_RESID 45 DATA SEQUENCE NEcLGTIGPV TPLDASDFAL DIRMPGVTPK ESDTYFcMSM RLPVDEEAFV DATA SEQUENCE IDFKPRASMD TVHHMLLFGc NMPSSTGSYW FcDEGTcTDK ANILYAWARN DATA SEQUENCE APPTRLPKGV GFRVGGETGS KYFVLQVHYG DISAFXXNHK DcSGVSVHLT DATA SEQUENCE RVPQPLIAGM YLMMSVDTVI PPGEKVVNAD IScQYKMYPM HVFAYRVHTH DATA SEQUENCE HLGKVVSGYR VRNGQWTLIG RQNPQLPQAF YPVEHPVDVT FGDILAARcV DATA SEQUENCE FTGEGRTEAT HIGGTSSDEM cNLYIMYYME AKYALSFMTc TKNVAPDMFR DATA SEQUENCE TIPAEANIPI 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 45 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 45 N C 0.000 175.495 175.510 -0.025 0.000 1.280 45 N CA 0.000 53.023 53.050 -0.045 0.000 0.885 45 N CB 0.000 38.464 38.487 -0.038 0.000 1.341 46 E N 1.089 121.279 120.200 -0.017 0.000 2.398 46 E HA 0.118 4.469 4.350 0.003 0.000 0.263 46 E C 0.075 176.664 176.600 -0.018 0.000 1.046 46 E CA -0.040 56.354 56.400 -0.010 0.000 0.908 46 E CB 0.746 30.441 29.700 -0.008 0.000 0.963 46 E HN 0.277 8.637 8.360 -0.000 0.000 0.431 47 c N 3.096 121.686 118.600 -0.017 0.000 2.634 47 c HA 0.005 4.577 4.570 0.003 0.000 0.417 47 c C 2.381 176.458 174.090 -0.021 0.000 1.334 47 c CA -0.414 55.901 56.329 -0.025 0.000 1.829 47 c CB -0.815 41.678 42.510 -0.029 0.000 2.665 47 c HN 0.705 8.935 8.230 -0.000 0.000 0.614 48 L N 2.228 123.438 121.223 -0.021 0.000 2.127 48 L HA 0.210 4.551 4.340 0.003 0.000 0.203 48 L C 2.060 178.921 176.870 -0.016 0.000 1.080 48 L CA 1.468 56.297 54.840 -0.018 0.000 0.768 48 L CB -1.121 40.929 42.059 -0.016 0.000 0.924 48 L HN 1.145 9.375 8.230 -0.000 0.000 0.444 49 G N 0.609 109.399 108.800 -0.016 0.000 2.565 49 G HA2 -0.459 3.502 3.960 0.003 0.000 0.295 49 G HA3 -0.459 3.502 3.960 0.003 0.000 0.295 49 G C 0.985 175.877 174.900 -0.012 0.000 1.165 49 G CA 0.966 46.057 45.100 -0.014 0.000 0.977 49 G HN 0.335 8.625 8.290 -0.000 0.000 0.546 50 T N -0.114 114.433 114.554 -0.012 0.000 2.881 50 T HA 0.045 4.397 4.350 0.003 0.000 0.270 50 T C 2.552 177.244 174.700 -0.012 0.000 1.068 50 T CA 2.857 64.950 62.100 -0.012 0.000 1.131 50 T CB -0.327 68.534 68.868 -0.011 0.000 0.871 50 T HN 1.536 9.776 8.240 -0.000 0.000 0.479 51 I N -0.680 119.883 120.570 -0.013 0.000 3.226 51 I HA 0.532 4.704 4.170 0.003 0.000 0.277 51 I C 1.307 177.416 176.117 -0.013 0.000 1.243 51 I CA 0.025 61.316 61.300 -0.014 0.000 1.459 51 I CB -1.168 36.824 38.000 -0.014 0.000 1.093 51 I HN 0.498 8.708 8.210 -0.000 0.000 0.453 52 G N 2.008 110.801 108.800 -0.011 0.000 2.750 52 G HA2 -0.218 3.743 3.960 0.003 0.000 0.228 52 G HA3 -0.218 3.743 3.960 0.003 0.000 0.228 52 G C -1.839 173.059 174.900 -0.003 0.000 1.367 52 G CA -0.042 45.054 45.100 -0.007 0.000 0.871 52 G HN 0.271 8.561 8.290 -0.000 0.000 0.560 53 P HA 0.243 4.663 4.420 -0.000 0.000 0.251 53 P C 0.350 177.671 177.300 0.035 0.000 1.223 53 P CA 0.582 63.694 63.100 0.020 0.000 0.796 53 P CB 0.398 32.119 31.700 0.036 0.000 1.068 54 V N 0.868 120.794 119.914 0.018 0.000 2.347 54 V HA 0.285 4.407 4.120 0.003 0.000 0.280 54 V C 0.031 176.134 176.094 0.015 0.000 1.021 54 V CA -0.087 62.230 62.300 0.027 0.000 0.847 54 V CB 1.357 33.136 31.823 -0.073 0.000 0.990 54 V HN -0.066 8.124 8.190 -0.000 0.000 0.444 55 T N 7.812 122.398 114.554 0.053 0.000 2.772 55 T HA 0.402 4.753 4.350 0.003 0.000 0.288 55 T C -2.625 172.109 174.700 0.056 0.000 0.994 55 T CA -1.308 60.807 62.100 0.025 0.000 0.951 55 T CB 1.692 70.558 68.868 -0.002 0.000 0.933 55 T HN 0.439 8.679 8.240 -0.000 0.000 0.447 56 P HA 0.192 4.612 4.420 -0.000 0.000 0.267 56 P C 0.092 177.403 177.300 0.019 0.000 1.205 56 P CA -0.155 62.974 63.100 0.049 0.000 0.765 56 P CB 1.088 32.796 31.700 0.014 0.000 0.828 57 L N 1.099 122.330 121.223 0.014 0.000 2.467 57 L HA 0.294 4.636 4.340 0.003 0.000 0.213 57 L C 0.994 177.863 176.870 -0.002 0.000 1.053 57 L CA 0.780 55.597 54.840 -0.038 0.000 0.847 57 L CB -0.006 41.962 42.059 -0.152 0.000 1.075 57 L HN 0.374 8.604 8.230 -0.000 0.000 0.479 58 D N -2.650 117.767 120.400 0.028 0.000 2.768 58 D HA 0.416 5.058 4.640 0.003 0.000 0.327 58 D C 0.462 176.793 176.300 0.052 0.000 1.302 58 D CA 0.174 54.196 54.000 0.036 0.000 0.897 58 D CB 1.032 41.857 40.800 0.042 0.000 1.420 58 D HN -0.100 8.270 8.370 -0.000 0.000 0.494 59 A N -0.343 122.503 122.820 0.044 0.000 1.917 59 A HA -0.126 4.196 4.320 0.003 0.000 0.219 59 A C 1.675 179.301 177.584 0.070 0.000 1.182 59 A CA 3.113 55.177 52.037 0.045 0.000 0.633 59 A CB -0.711 18.309 19.000 0.032 0.000 0.819 59 A HN 0.547 8.697 8.150 -0.000 0.000 0.448 60 S N -1.788 113.963 115.700 0.084 0.000 2.526 60 S HA 0.229 4.701 4.470 0.003 0.000 0.220 60 S C -0.314 174.383 174.600 0.161 0.000 1.017 60 S CA -0.171 58.096 58.200 0.113 0.000 0.930 60 S CB 0.047 63.297 63.200 0.084 0.000 0.856 60 S HN 0.370 8.680 8.310 -0.000 0.000 0.497 61 D N 1.350 121.838 120.400 0.147 0.000 2.299 61 D HA 0.736 5.378 4.640 0.003 0.000 0.243 61 D C -0.639 175.762 176.300 0.169 0.000 0.982 61 D CA -0.420 53.654 54.000 0.123 0.000 0.924 61 D CB 1.442 42.328 40.800 0.145 0.000 1.238 61 D HN 0.393 8.763 8.370 -0.000 0.000 0.484 62 F N -1.507 118.410 119.950 -0.056 0.000 2.693 62 F HA 0.770 5.298 4.527 0.003 0.000 0.309 62 F C -1.533 174.162 175.800 -0.176 0.000 1.129 62 F CA -1.510 56.423 58.000 -0.111 0.000 0.948 62 F CB 0.923 39.895 39.000 -0.046 0.000 1.315 62 F HN 0.319 8.619 8.300 -0.000 0.000 0.447 63 A N 2.447 125.255 122.820 -0.020 0.000 2.301 63 A HA 0.734 5.056 4.320 0.003 0.000 0.312 63 A C -1.634 176.015 177.584 0.110 0.000 1.182 63 A CA -0.654 51.325 52.037 -0.096 0.000 0.826 63 A CB 1.188 20.109 19.000 -0.132 0.000 1.134 63 A HN 0.967 9.117 8.150 -0.000 0.000 0.501 64 L N 2.186 123.434 121.223 0.043 0.000 2.298 64 L HA 0.538 4.879 4.340 0.003 0.000 0.284 64 L C -1.161 175.706 176.870 -0.005 0.000 1.013 64 L CA -0.176 54.730 54.840 0.110 0.000 0.824 64 L CB 1.391 43.567 42.059 0.196 0.000 1.221 64 L HN 0.662 8.892 8.230 -0.000 0.000 0.418 65 D N 5.401 125.807 120.400 0.009 0.000 2.313 65 D HA 0.432 5.074 4.640 0.003 0.000 0.239 65 D C -0.522 175.774 176.300 -0.007 0.000 1.142 65 D CA 0.353 54.338 54.000 -0.025 0.000 0.847 65 D CB 0.970 41.755 40.800 -0.025 0.000 1.082 65 D HN 0.423 8.793 8.370 -0.000 0.000 0.480 66 I N 4.319 124.870 120.570 -0.032 0.000 2.371 66 I HA 0.366 4.537 4.170 0.003 0.000 0.282 66 I C -0.049 176.055 176.117 -0.021 0.000 1.031 66 I CA -0.721 60.577 61.300 -0.002 0.000 1.180 66 I CB 0.222 38.217 38.000 -0.010 0.000 1.336 66 I HN 0.070 8.280 8.210 -0.000 0.000 0.467 67 R N 5.601 126.093 120.500 -0.015 0.000 2.854 67 R HA 0.601 4.942 4.340 0.003 0.000 0.271 67 R C -0.558 175.715 176.300 -0.045 0.000 0.994 67 R CA -1.237 54.840 56.100 -0.038 0.000 0.945 67 R CB 1.549 31.823 30.300 -0.042 0.000 1.194 67 R HN 0.385 8.655 8.270 -0.000 0.000 0.476 68 M N 3.457 123.015 119.600 -0.071 0.000 2.239 68 M HA 0.137 4.619 4.480 0.003 0.000 0.348 68 M C -1.617 174.581 176.300 -0.171 0.000 1.239 68 M CA -2.003 53.215 55.300 -0.136 0.000 1.114 68 M CB 0.311 32.824 32.600 -0.144 0.000 1.641 68 M HN 0.150 8.440 8.290 -0.000 0.000 0.453 69 P HA 0.124 4.544 4.420 -0.000 0.000 0.237 69 P C 0.304 177.471 177.300 -0.222 0.000 1.723 69 P CA 0.219 63.220 63.100 -0.165 0.000 0.882 69 P CB -0.596 31.049 31.700 -0.092 0.000 1.810 70 G N 0.343 109.008 108.800 -0.226 0.000 2.422 70 G HA2 -0.133 3.829 3.960 0.003 0.000 0.290 70 G HA3 -0.133 3.829 3.960 0.003 0.000 0.290 70 G C -0.073 174.620 174.900 -0.346 0.000 1.059 70 G CA -0.096 44.868 45.100 -0.225 0.000 1.242 70 G HN 0.499 8.789 8.290 -0.000 0.000 0.520 71 V N -1.398 118.227 119.914 -0.483 0.000 2.716 71 V HA 0.957 5.079 4.120 0.003 0.000 0.304 71 V C 0.398 176.186 176.094 -0.510 0.000 1.053 71 V CA -0.232 61.652 62.300 -0.693 0.000 0.984 71 V CB 2.166 33.258 31.823 -1.219 0.000 1.021 71 V HN 0.654 8.844 8.190 -0.000 0.000 0.467 72 T N 4.463 118.777 114.554 -0.399 0.000 3.141 72 T HA 0.421 4.773 4.350 0.003 0.000 0.377 72 T C -2.623 172.025 174.700 -0.087 0.000 1.258 72 T CA -0.632 61.315 62.100 -0.256 0.000 1.263 72 T CB 0.792 69.558 68.868 -0.170 0.000 1.066 72 T HN 0.810 9.050 8.240 -0.000 0.000 0.546 73 P HA 0.213 4.633 4.420 -0.000 0.000 0.266 73 P C 0.364 177.705 177.300 0.070 0.000 1.195 73 P CA -0.323 62.870 63.100 0.155 0.000 0.768 73 P CB 1.246 32.930 31.700 -0.026 0.000 0.838 74 K N 0.837 121.303 120.400 0.110 0.000 2.370 74 K HA 0.191 4.512 4.320 0.003 0.000 0.194 74 K C 0.681 177.304 176.600 0.039 0.000 1.070 74 K CA 0.551 56.882 56.287 0.072 0.000 0.998 74 K CB 0.942 33.500 32.500 0.096 0.000 0.911 74 K HN 0.569 8.819 8.250 -0.000 0.000 0.533 75 E N 0.417 120.630 120.200 0.022 0.000 2.339 75 E HA 0.327 4.679 4.350 0.003 0.000 0.262 75 E C -0.818 175.783 176.600 0.003 0.000 0.934 75 E CA -0.568 55.834 56.400 0.003 0.000 0.802 75 E CB 2.030 31.717 29.700 -0.022 0.000 1.275 75 E HN -0.182 8.178 8.360 -0.000 0.000 0.427 76 S N 0.650 116.355 115.700 0.008 0.000 2.592 76 S HA 0.063 4.535 4.470 0.003 0.000 0.271 76 S C -0.399 174.212 174.600 0.017 0.000 1.326 76 S CA -0.081 58.127 58.200 0.014 0.000 1.024 76 S CB 0.283 63.493 63.200 0.018 0.000 0.921 76 S HN 0.693 9.003 8.310 -0.000 0.000 0.527 77 D N 0.558 120.967 120.400 0.016 0.000 2.723 77 D HA -0.125 4.516 4.640 0.003 0.000 0.236 77 D C -0.604 175.717 176.300 0.034 0.000 1.138 77 D CA 0.883 54.923 54.000 0.068 0.000 0.676 77 D CB -1.189 39.700 40.800 0.149 0.000 1.069 77 D HN 0.419 8.789 8.370 -0.000 0.000 0.430 78 T N 0.561 115.106 114.554 -0.016 0.000 2.869 78 T HA 0.283 4.634 4.350 0.003 0.000 0.295 78 T C 0.074 174.708 174.700 -0.110 0.000 0.987 78 T CA -0.013 62.039 62.100 -0.079 0.000 1.109 78 T CB 0.532 69.288 68.868 -0.187 0.000 0.932 78 T HN 0.028 8.268 8.240 -0.000 0.000 0.518 79 Y N 2.358 122.626 120.300 -0.052 0.000 2.356 79 Y HA 0.472 5.023 4.550 0.003 0.000 0.334 79 Y C -0.376 175.510 175.900 -0.023 0.000 0.958 79 Y CA -1.033 57.071 58.100 0.008 0.000 1.196 79 Y CB 0.534 38.996 38.460 0.003 0.000 1.137 79 Y HN 0.520 8.800 8.280 -0.000 0.000 0.485 80 F N 1.855 121.976 119.950 0.284 0.000 2.425 80 F HA 0.615 5.143 4.527 0.003 0.000 0.331 80 F C 0.064 175.815 175.800 -0.081 0.000 1.085 80 F CA -1.069 57.008 58.000 0.129 0.000 1.028 80 F CB 1.170 40.265 39.000 0.157 0.000 1.177 80 F HN 0.339 8.639 8.300 -0.000 0.000 0.487 81 c N 3.457 121.951 118.600 -0.177 0.000 2.802 81 c HA 0.906 5.478 4.570 0.003 0.000 0.307 81 c C -0.539 173.013 174.090 -0.898 0.000 1.222 81 c CA -0.648 55.286 56.329 -0.659 0.000 1.580 81 c CB 1.256 43.043 42.510 -1.206 0.000 2.119 81 c HN 0.815 9.045 8.230 -0.000 0.000 0.479 82 M N 1.148 120.379 119.600 -0.616 0.000 2.682 82 M HA 0.738 5.220 4.480 0.003 0.000 0.272 82 M C -0.575 175.782 176.300 0.095 0.000 1.232 82 M CA -0.319 54.825 55.300 -0.261 0.000 0.849 82 M CB 1.361 33.955 32.600 -0.010 0.000 1.695 82 M HN 0.544 8.835 8.290 -0.000 0.000 0.481 83 S N 1.231 117.143 115.700 0.354 0.000 2.536 83 S HA 0.947 5.419 4.470 0.003 0.000 0.298 83 S C -0.801 174.011 174.600 0.353 0.000 1.083 83 S CA -0.794 57.647 58.200 0.403 0.000 0.995 83 S CB 1.551 65.019 63.200 0.446 0.000 1.058 83 S HN 0.798 9.108 8.310 -0.000 0.000 0.488 84 M N 2.499 122.329 119.600 0.383 0.000 2.259 84 M HA 0.435 4.917 4.480 0.003 0.000 0.304 84 M C -0.335 176.134 176.300 0.283 0.000 1.019 84 M CA -0.464 55.025 55.300 0.315 0.000 0.922 84 M CB 1.882 34.660 32.600 0.296 0.000 1.600 84 M HN 0.950 9.240 8.290 -0.000 0.000 0.433 85 R N 1.795 122.371 120.500 0.127 0.000 2.590 85 R HA 0.379 4.720 4.340 0.003 0.000 0.274 85 R C -0.893 175.324 176.300 -0.139 0.000 1.061 85 R CA -0.227 55.699 56.100 -0.290 0.000 1.081 85 R CB 0.408 30.520 30.300 -0.313 0.000 0.984 85 R HN 0.604 8.874 8.270 -0.000 0.000 0.448 86 L N 7.412 128.495 121.223 -0.234 0.000 2.490 86 L HA 0.108 4.449 4.340 0.003 0.000 0.274 86 L C -1.154 175.690 176.870 -0.043 0.000 1.201 86 L CA -0.532 54.256 54.840 -0.086 0.000 0.869 86 L CB 0.765 42.735 42.059 -0.150 0.000 1.123 86 L HN 0.787 9.017 8.230 -0.000 0.000 0.484 87 P HA -0.037 4.383 4.420 -0.000 0.000 0.225 87 P C -0.096 177.167 177.300 -0.060 0.000 1.156 87 P CA 0.596 63.669 63.100 -0.044 0.000 0.787 87 P CB 0.062 31.692 31.700 -0.116 0.000 0.802 88 V N -2.483 117.432 119.914 0.001 0.000 2.472 88 V HA 0.421 4.543 4.120 0.003 0.000 0.290 88 V C 0.957 177.042 176.094 -0.014 0.000 1.037 88 V CA -0.451 61.853 62.300 0.007 0.000 0.908 88 V CB 1.536 33.416 31.823 0.094 0.000 0.985 88 V HN -0.290 7.900 8.190 -0.000 0.000 0.454 89 D N 2.000 122.386 120.400 -0.024 0.000 2.183 89 D HA -0.018 4.624 4.640 0.003 0.000 0.205 89 D C 1.114 177.401 176.300 -0.022 0.000 0.962 89 D CA 1.292 55.272 54.000 -0.033 0.000 0.849 89 D CB 0.311 41.094 40.800 -0.029 0.000 0.978 89 D HN 0.983 9.353 8.370 -0.000 0.000 0.488 90 E N 0.605 120.802 120.200 -0.004 0.000 2.416 90 E HA 0.023 4.375 4.350 0.003 0.000 0.254 90 E C 0.135 176.724 176.600 -0.018 0.000 1.241 90 E CA -0.577 55.823 56.400 -0.000 0.000 0.969 90 E CB 0.552 30.264 29.700 0.020 0.000 0.999 90 E HN -0.047 8.313 8.360 -0.000 0.000 0.481 91 E N -0.097 120.081 120.200 -0.037 0.000 2.384 91 E HA 0.280 4.631 4.350 0.003 0.000 0.266 91 E C -1.199 175.304 176.600 -0.161 0.000 1.012 91 E CA -0.095 56.228 56.400 -0.128 0.000 0.901 91 E CB 0.603 30.219 29.700 -0.140 0.000 0.967 91 E HN 0.550 8.910 8.360 -0.000 0.000 0.435 92 A N 3.765 126.407 122.820 -0.297 0.000 2.569 92 A HA 0.699 5.021 4.320 0.003 0.000 0.290 92 A C -1.689 175.594 177.584 -0.502 0.000 1.136 92 A CA -0.765 51.136 52.037 -0.227 0.000 0.710 92 A CB 0.951 19.952 19.000 0.002 0.000 1.303 92 A HN 0.533 8.683 8.150 -0.000 0.000 0.413 93 F N 0.012 119.983 119.950 0.036 0.000 2.529 93 F HA 0.519 5.048 4.527 0.003 0.000 0.320 93 F C -0.028 175.774 175.800 0.003 0.000 1.118 93 F CA -0.787 57.238 58.000 0.042 0.000 0.915 93 F CB 2.295 41.298 39.000 0.005 0.000 1.161 93 F HN 0.225 8.525 8.300 -0.000 0.000 0.445 94 V N 5.123 125.165 119.914 0.214 0.000 2.368 94 V HA 0.167 4.289 4.120 0.003 0.000 0.266 94 V C 0.865 176.947 176.094 -0.019 0.000 1.045 94 V CA -0.146 62.182 62.300 0.046 0.000 0.899 94 V CB 0.529 32.421 31.823 0.115 0.000 1.006 94 V HN 0.803 8.993 8.190 -0.000 0.000 0.470 95 I N -0.258 120.197 120.570 -0.191 0.000 4.057 95 I HA 0.562 4.734 4.170 0.003 0.000 0.334 95 I C 0.243 176.184 176.117 -0.292 0.000 1.308 95 I CA 0.311 61.474 61.300 -0.230 0.000 1.125 95 I CB 0.693 38.511 38.000 -0.303 0.000 1.034 95 I HN 0.477 8.687 8.210 -0.000 0.000 0.401 96 D N 0.197 120.340 120.400 -0.428 0.000 2.623 96 D HA 0.517 5.159 4.640 0.003 0.000 0.241 96 D C -1.762 174.139 176.300 -0.664 0.000 1.241 96 D CA -0.323 53.471 54.000 -0.344 0.000 0.788 96 D CB 2.312 43.016 40.800 -0.161 0.000 1.413 96 D HN -0.027 8.343 8.370 -0.000 0.000 0.429 97 F N 0.926 120.784 119.950 -0.153 0.000 2.561 97 F HA 0.462 4.990 4.527 0.003 0.000 0.313 97 F C 0.092 175.714 175.800 -0.297 0.000 1.126 97 F CA -0.829 56.940 58.000 -0.385 0.000 0.918 97 F CB 1.930 40.397 39.000 -0.890 0.000 1.199 97 F HN -0.231 8.069 8.300 -0.000 0.000 0.444 98 K N 3.804 124.134 120.400 -0.115 0.000 2.450 98 K HA 0.413 4.735 4.320 0.003 0.000 0.257 98 K C -2.947 173.580 176.600 -0.122 0.000 0.953 98 K CA -2.271 53.974 56.287 -0.070 0.000 0.844 98 K CB 2.059 34.525 32.500 -0.057 0.000 1.103 98 K HN 0.187 8.437 8.250 -0.000 0.000 0.429 99 P HA 0.221 4.641 4.420 -0.000 0.000 0.276 99 P C -0.451 176.681 177.300 -0.280 0.000 1.230 99 P CA -0.466 62.478 63.100 -0.260 0.000 0.776 99 P CB 0.728 32.139 31.700 -0.482 0.000 0.888 100 R N 2.042 122.362 120.500 -0.300 0.000 2.651 100 R HA 0.595 4.937 4.340 0.003 0.000 0.282 100 R C -0.426 175.709 176.300 -0.274 0.000 1.565 100 R CA -0.608 55.356 56.100 -0.227 0.000 1.661 100 R CB 0.873 31.085 30.300 -0.145 0.000 1.189 100 R HN 0.489 8.759 8.270 -0.000 0.000 0.621 101 A N 0.618 123.203 122.820 -0.392 0.000 2.365 101 A HA 0.588 4.910 4.320 0.003 0.000 0.318 101 A C -0.146 177.318 177.584 -0.200 0.000 1.091 101 A CA -0.532 51.264 52.037 -0.401 0.000 0.763 101 A CB 1.232 19.715 19.000 -0.863 0.000 1.248 101 A HN 0.324 8.474 8.150 -0.000 0.000 0.442 102 S N 3.040 118.696 115.700 -0.074 0.000 2.481 102 S HA 0.077 4.548 4.470 0.003 0.000 0.282 102 S C 1.305 175.940 174.600 0.058 0.000 1.243 102 S CA -0.375 57.840 58.200 0.026 0.000 1.078 102 S CB 0.316 63.583 63.200 0.112 0.000 0.916 102 S HN 0.638 8.948 8.310 -0.000 0.000 0.495 103 M N 2.185 121.830 119.600 0.076 0.000 2.460 103 M HA -0.064 4.418 4.480 0.003 0.000 0.263 103 M C 0.803 177.172 176.300 0.114 0.000 1.071 103 M CA 1.058 56.438 55.300 0.134 0.000 1.096 103 M CB -1.077 31.593 32.600 0.118 0.000 1.408 103 M HN 0.503 8.793 8.290 -0.000 0.000 0.463 104 D N -0.880 119.575 120.400 0.091 0.000 2.137 104 D HA -0.083 4.559 4.640 0.003 0.000 0.202 104 D C 2.039 178.399 176.300 0.099 0.000 0.970 104 D CA 1.376 55.422 54.000 0.078 0.000 0.837 104 D CB 0.018 40.853 40.800 0.060 0.000 0.981 104 D HN 0.245 8.615 8.370 -0.000 0.000 0.475 105 T N -0.691 113.945 114.554 0.136 0.000 3.000 105 T HA 0.130 4.482 4.350 0.003 0.000 0.248 105 T C 0.332 175.118 174.700 0.145 0.000 1.034 105 T CA -0.041 62.166 62.100 0.179 0.000 1.060 105 T CB 0.160 69.195 68.868 0.278 0.000 0.983 105 T HN -0.204 8.036 8.240 -0.000 0.000 0.482 106 V N 3.698 123.663 119.914 0.086 0.000 2.455 106 V HA 0.235 4.356 4.120 0.003 0.000 0.273 106 V C 1.236 177.389 176.094 0.098 0.000 1.045 106 V CA -0.403 61.880 62.300 -0.028 0.000 0.976 106 V CB 0.999 32.784 31.823 -0.062 0.000 0.993 106 V HN 0.488 8.678 8.190 -0.000 0.000 0.475 107 H N 5.330 124.302 119.070 -0.164 0.000 2.329 107 H HA 0.103 4.661 4.556 0.003 0.000 0.306 107 H C 0.563 175.933 175.328 0.069 0.000 1.062 107 H CA 1.503 57.475 56.048 -0.126 0.000 1.364 107 H CB 0.586 30.085 29.762 -0.438 0.000 1.409 107 H HN 0.846 9.126 8.280 -0.000 0.000 0.519 108 H N -1.381 117.825 119.070 0.228 0.000 3.008 108 H HA 0.435 4.992 4.556 0.003 0.000 0.354 108 H C -1.385 174.085 175.328 0.237 0.000 1.252 108 H CA -1.013 55.174 56.048 0.231 0.000 1.117 108 H CB 1.729 31.614 29.762 0.205 0.000 1.857 108 H HN 0.088 8.368 8.280 -0.000 0.000 0.547 109 M N 2.339 122.167 119.600 0.380 0.000 2.457 109 M HA 0.473 4.954 4.480 0.003 0.000 0.300 109 M C -1.315 175.105 176.300 0.200 0.000 1.141 109 M CA -0.713 54.715 55.300 0.213 0.000 0.901 109 M CB 3.079 35.775 32.600 0.160 0.000 1.687 109 M HN 0.377 8.667 8.290 -0.000 0.000 0.449 110 L N 3.023 124.320 121.223 0.123 0.000 2.386 110 L HA 0.693 5.035 4.340 0.003 0.000 0.271 110 L C -1.467 175.300 176.870 -0.172 0.000 0.993 110 L CA -0.952 53.824 54.840 -0.108 0.000 0.819 110 L CB 2.400 44.367 42.059 -0.152 0.000 1.294 110 L HN 0.525 8.755 8.230 -0.000 0.000 0.414 111 L N 2.537 123.564 121.223 -0.325 0.000 2.341 111 L HA 0.664 5.006 4.340 0.003 0.000 0.278 111 L C -1.314 175.314 176.870 -0.403 0.000 1.005 111 L CA 0.139 54.864 54.840 -0.191 0.000 0.818 111 L CB 1.461 43.487 42.059 -0.056 0.000 1.259 111 L HN 0.245 8.475 8.230 -0.000 0.000 0.418 112 F N 2.127 122.167 119.950 0.151 0.000 2.561 112 F HA 0.794 5.322 4.527 0.003 0.000 0.321 112 F C 0.803 176.750 175.800 0.245 0.000 1.065 112 F CA -0.672 57.415 58.000 0.145 0.000 0.934 112 F CB 2.156 41.231 39.000 0.125 0.000 1.215 112 F HN 0.539 8.839 8.300 -0.000 0.000 0.471 113 G N 0.092 109.106 108.800 0.356 0.000 2.415 113 G HA2 0.625 4.587 3.960 0.003 0.000 0.327 113 G HA3 0.625 4.587 3.960 0.003 0.000 0.327 113 G C -1.264 173.737 174.900 0.167 0.000 1.182 113 G CA -0.664 44.572 45.100 0.227 0.000 0.924 113 G HN 1.114 9.404 8.290 -0.000 0.000 0.470 114 c N 0.753 119.432 118.600 0.131 0.000 3.295 114 c HA 0.597 5.169 4.570 0.003 0.000 0.341 114 c C 0.317 174.486 174.090 0.132 0.000 1.418 114 c CA -0.968 55.412 56.329 0.084 0.000 1.240 114 c CB 1.301 43.842 42.510 0.052 0.000 1.562 114 c HN 0.498 8.728 8.230 -0.000 0.000 0.457 115 N N 0.013 118.767 118.700 0.090 0.000 2.322 115 N HA 0.240 4.981 4.740 0.003 0.000 0.181 115 N C -0.333 175.210 175.510 0.055 0.000 1.088 115 N CA 0.764 53.911 53.050 0.161 0.000 0.885 115 N CB 0.169 38.716 38.487 0.099 0.000 1.013 115 N HN 0.748 9.128 8.380 -0.000 0.000 0.472 116 M N 1.208 120.763 119.600 -0.075 0.000 1.960 116 M HA 0.363 4.845 4.480 0.003 0.000 0.271 116 M C -2.773 173.388 176.300 -0.233 0.000 0.862 116 M CA -1.596 53.591 55.300 -0.188 0.000 0.854 116 M CB 2.443 34.973 32.600 -0.117 0.000 1.575 116 M HN -0.326 7.964 8.290 -0.000 0.000 0.375 117 P HA 0.134 4.554 4.420 -0.000 0.000 0.268 117 P C 0.365 177.452 177.300 -0.355 0.000 1.205 117 P CA 0.182 63.131 63.100 -0.251 0.000 0.771 117 P CB 0.893 32.435 31.700 -0.263 0.000 0.858 118 S N 0.146 115.639 115.700 -0.346 0.000 2.400 118 S HA -0.070 4.401 4.470 0.003 0.000 0.232 118 S C 0.988 175.159 174.600 -0.715 0.000 1.025 118 S CA 1.342 59.276 58.200 -0.443 0.000 0.993 118 S CB -0.142 62.886 63.200 -0.287 0.000 0.808 118 S HN 0.613 8.923 8.310 -0.000 0.000 0.478 119 S N -0.111 114.848 115.700 -1.236 0.000 2.599 119 S HA 0.566 5.038 4.470 0.003 0.000 0.287 119 S C -0.102 174.079 174.600 -0.699 0.000 1.105 119 S CA -0.680 56.898 58.200 -1.035 0.000 0.899 119 S CB 1.636 64.047 63.200 -1.315 0.000 1.100 119 S HN 0.385 8.695 8.310 -0.000 0.000 0.482 120 T N 0.617 114.954 114.554 -0.361 0.000 2.852 120 T HA 0.829 5.181 4.350 0.003 0.000 0.281 120 T C 1.096 175.765 174.700 -0.052 0.000 0.993 120 T CA 0.333 62.334 62.100 -0.165 0.000 0.933 120 T CB 0.282 69.083 68.868 -0.111 0.000 1.187 120 T HN 1.983 10.223 8.240 -0.000 0.000 0.559 121 G N 0.185 108.997 108.800 0.020 0.000 2.512 121 G HA2 -0.274 3.687 3.960 0.003 0.000 0.240 121 G HA3 -0.274 3.687 3.960 0.003 0.000 0.240 121 G C 0.894 175.875 174.900 0.134 0.000 1.246 121 G CA 0.828 45.961 45.100 0.054 0.000 0.919 121 G HN 1.336 9.626 8.290 -0.000 0.000 0.577 122 S N -1.208 114.568 115.700 0.127 0.000 2.341 122 S HA 0.449 4.921 4.470 0.003 0.000 0.216 122 S C 0.682 175.474 174.600 0.321 0.000 1.034 122 S CA 2.183 60.502 58.200 0.197 0.000 0.964 122 S CB -0.216 63.103 63.200 0.198 0.000 0.882 122 S HN 1.940 10.250 8.310 -0.000 0.000 0.469 123 Y N -1.657 118.726 120.300 0.137 0.000 2.677 123 Y HA 0.612 5.164 4.550 0.003 0.000 0.334 123 Y C -1.423 174.619 175.900 0.237 0.000 1.196 123 Y CA -1.999 56.158 58.100 0.096 0.000 1.059 123 Y CB -0.037 38.335 38.460 -0.147 0.000 1.315 123 Y HN 0.394 8.674 8.280 -0.000 0.000 0.455 124 W N 0.250 121.561 121.300 0.019 0.000 3.025 124 W HA 0.802 5.464 4.660 0.003 0.000 0.343 124 W C -2.398 174.156 176.519 0.058 0.000 1.246 124 W CA -2.181 55.089 57.345 -0.124 0.000 1.178 124 W CB 0.709 30.134 29.460 -0.058 0.000 1.463 124 W HN 0.533 8.713 8.180 -0.000 0.000 0.578 125 F N 1.645 121.825 119.950 0.384 0.000 2.456 125 F HA 0.260 4.789 4.527 0.003 0.000 0.358 125 F C 1.186 177.147 175.800 0.268 0.000 1.095 125 F CA -0.697 57.432 58.000 0.214 0.000 1.216 125 F CB 0.676 39.760 39.000 0.140 0.000 1.125 125 F HN 0.439 8.739 8.300 -0.000 0.000 0.549 126 c N 1.290 120.071 118.600 0.301 0.000 2.525 126 c HA -0.060 4.512 4.570 0.003 0.000 0.279 126 c C 1.639 175.839 174.090 0.184 0.000 1.437 126 c CA -0.271 56.205 56.329 0.244 0.000 1.704 126 c CB -1.733 40.854 42.510 0.129 0.000 1.672 126 c HN 0.806 9.036 8.230 -0.000 0.000 0.582 127 D N 1.438 121.955 120.400 0.196 0.000 2.219 127 D HA -0.090 4.551 4.640 0.003 0.000 0.205 127 D C 1.857 178.232 176.300 0.126 0.000 0.970 127 D CA 0.983 55.042 54.000 0.099 0.000 0.851 127 D CB -0.241 40.600 40.800 0.069 0.000 0.943 127 D HN 0.609 8.979 8.370 -0.000 0.000 0.488 128 E N -0.065 120.270 120.200 0.224 0.000 2.489 128 E HA 0.338 4.690 4.350 0.003 0.000 0.193 128 E C 0.755 177.422 176.600 0.110 0.000 1.057 128 E CA 0.122 56.613 56.400 0.151 0.000 0.866 128 E CB 0.439 30.231 29.700 0.154 0.000 0.916 128 E HN 0.203 8.563 8.360 -0.000 0.000 0.500 129 G N -0.292 108.616 108.800 0.179 0.000 2.497 129 G HA2 -0.182 3.780 3.960 0.003 0.000 0.686 129 G HA3 -0.182 3.780 3.960 0.003 0.000 0.686 129 G C 0.254 175.322 174.900 0.280 0.000 1.288 129 G CA -0.346 44.830 45.100 0.128 0.000 0.899 129 G HN 0.004 8.294 8.290 -0.000 0.000 0.608 130 T N -0.790 113.834 114.554 0.118 0.000 2.990 130 T HA 0.284 4.636 4.350 0.003 0.000 0.237 130 T C 0.772 175.535 174.700 0.104 0.000 1.009 130 T CA 1.617 63.793 62.100 0.126 0.000 1.195 130 T CB -0.039 68.670 68.868 -0.265 0.000 0.885 130 T HN 0.925 9.165 8.240 -0.000 0.000 0.424 131 c N 1.504 120.070 118.600 -0.056 0.000 2.634 131 c HA 0.513 5.084 4.570 0.003 0.000 0.313 131 c C 1.930 175.967 174.090 -0.088 0.000 1.198 131 c CA -0.767 55.520 56.329 -0.070 0.000 1.605 131 c CB 1.581 44.047 42.510 -0.073 0.000 2.196 131 c HN 0.486 8.716 8.230 -0.000 0.000 0.486 132 T N 1.180 115.671 114.554 -0.105 0.000 2.812 132 T HA -0.082 4.270 4.350 0.003 0.000 0.264 132 T C 0.808 175.464 174.700 -0.072 0.000 1.042 132 T CA 1.593 63.637 62.100 -0.093 0.000 1.140 132 T CB -0.249 68.554 68.868 -0.108 0.000 0.870 132 T HN 0.918 9.158 8.240 -0.000 0.000 0.445 133 D N 1.055 121.412 120.400 -0.072 0.000 2.469 133 D HA 0.183 4.825 4.640 0.003 0.000 0.278 133 D C -0.226 176.032 176.300 -0.070 0.000 1.231 133 D CA -0.591 53.372 54.000 -0.062 0.000 1.075 133 D CB 0.436 41.203 40.800 -0.054 0.000 1.121 133 D HN -0.132 8.238 8.370 -0.000 0.000 0.571 134 K N -0.505 119.845 120.400 -0.084 0.000 2.378 134 K HA 0.459 4.780 4.320 0.003 0.000 0.288 134 K C -0.382 176.170 176.600 -0.079 0.000 1.057 134 K CA -0.147 56.085 56.287 -0.092 0.000 0.971 134 K CB 0.682 33.097 32.500 -0.141 0.000 0.975 134 K HN 0.489 8.739 8.250 -0.000 0.000 0.475 135 A N 4.670 127.458 122.820 -0.055 0.000 2.350 135 A HA 0.144 4.466 4.320 0.003 0.000 0.293 135 A C -0.480 177.218 177.584 0.191 0.000 1.231 135 A CA -0.595 51.434 52.037 -0.013 0.000 0.883 135 A CB -0.078 18.712 19.000 -0.350 0.000 1.133 135 A HN 0.675 8.825 8.150 -0.000 0.000 0.533 136 N N 2.877 121.706 118.700 0.215 0.000 2.437 136 N HA 0.144 4.886 4.740 0.003 0.000 0.243 136 N C -0.425 175.261 175.510 0.294 0.000 1.041 136 N CA -0.001 53.189 53.050 0.233 0.000 0.940 136 N CB 1.373 39.938 38.487 0.130 0.000 1.133 136 N HN 0.762 9.142 8.380 -0.000 0.000 0.506 137 I N 2.859 123.610 120.570 0.303 0.000 2.618 137 I HA -0.061 4.111 4.170 0.003 0.000 0.284 137 I C 0.840 176.855 176.117 -0.170 0.000 1.146 137 I CA 0.100 61.384 61.300 -0.026 0.000 1.425 137 I CB 0.686 38.619 38.000 -0.112 0.000 1.383 137 I HN 0.469 8.679 8.210 -0.000 0.000 0.562 138 L N 7.745 128.750 121.223 -0.364 0.000 2.577 138 L HA 0.242 4.583 4.340 0.003 0.000 0.225 138 L C -0.635 175.905 176.870 -0.550 0.000 1.053 138 L CA -0.199 54.262 54.840 -0.631 0.000 0.866 138 L CB 0.198 41.968 42.059 -0.481 0.000 1.132 138 L HN 0.552 8.782 8.230 -0.000 0.000 0.486 139 Y N 0.385 120.307 120.300 -0.629 0.000 2.480 139 Y HA 0.643 5.194 4.550 0.003 0.000 0.329 139 Y C -1.491 174.232 175.900 -0.295 0.000 1.127 139 Y CA -1.239 56.472 58.100 -0.649 0.000 1.037 139 Y CB 1.390 39.152 38.460 -1.163 0.000 1.320 139 Y HN -0.122 8.158 8.280 -0.000 0.000 0.446 140 A N 4.550 126.978 122.820 -0.653 0.000 2.355 140 A HA 0.649 4.971 4.320 0.003 0.000 0.317 140 A C -2.368 174.765 177.584 -0.751 0.000 1.094 140 A CA -0.528 51.190 52.037 -0.532 0.000 0.764 140 A CB 0.771 19.567 19.000 -0.341 0.000 1.230 140 A HN 0.808 8.958 8.150 -0.000 0.000 0.448 141 W N 2.935 123.886 121.300 -0.582 0.000 2.475 141 W HA 0.640 5.301 4.660 0.003 0.000 0.320 141 W C -0.269 176.143 176.519 -0.178 0.000 1.022 141 W CA -0.154 56.968 57.345 -0.372 0.000 1.240 141 W CB 1.433 30.805 29.460 -0.148 0.000 1.328 141 W HN 0.928 9.108 8.180 -0.000 0.000 0.439 142 A N 6.058 128.415 122.820 -0.772 0.000 2.324 142 A HA 0.439 4.760 4.320 0.003 0.000 0.330 142 A C 1.137 177.960 177.584 -1.268 0.000 1.165 142 A CA -0.688 50.892 52.037 -0.761 0.000 0.813 142 A CB 1.420 20.124 19.000 -0.494 0.000 1.197 142 A HN 0.904 9.054 8.150 -0.000 0.000 0.484 143 R N 1.294 121.161 120.500 -1.055 0.000 2.070 143 R HA -0.110 4.232 4.340 0.003 0.000 0.232 143 R C 0.589 176.573 176.300 -0.528 0.000 1.138 143 R CA 1.921 57.497 56.100 -0.873 0.000 0.936 143 R CB -0.089 29.928 30.300 -0.471 0.000 0.839 143 R HN 0.857 9.127 8.270 -0.000 0.000 0.429 144 N N -0.340 118.126 118.700 -0.391 0.000 2.383 144 N HA 0.040 4.782 4.740 0.003 0.000 0.192 144 N C -0.769 174.622 175.510 -0.199 0.000 1.141 144 N CA 0.462 53.374 53.050 -0.230 0.000 0.851 144 N CB 1.159 39.554 38.487 -0.152 0.000 0.976 144 N HN 0.158 8.538 8.380 -0.000 0.000 0.465 145 A N 1.693 124.327 122.820 -0.311 0.000 2.855 145 A HA 0.413 4.735 4.320 0.003 0.000 0.313 145 A C -2.695 174.662 177.584 -0.379 0.000 1.173 145 A CA -1.108 50.766 52.037 -0.270 0.000 0.753 145 A CB 0.829 19.667 19.000 -0.270 0.000 1.200 145 A HN -0.143 8.007 8.150 -0.000 0.000 0.442 146 P HA 0.244 4.664 4.420 -0.000 0.000 0.266 146 P C -2.218 174.999 177.300 -0.138 0.000 1.195 146 P CA -0.424 62.563 63.100 -0.189 0.000 0.768 146 P CB 0.157 31.829 31.700 -0.047 0.000 0.838 147 P HA 0.109 4.529 4.420 -0.000 0.000 0.272 147 P C -0.637 176.702 177.300 0.064 0.000 1.230 147 P CA 0.068 63.160 63.100 -0.013 0.000 0.788 147 P CB 0.502 32.287 31.700 0.141 0.000 0.949 148 T N 1.547 116.144 114.554 0.072 0.000 2.867 148 T HA 0.302 4.654 4.350 0.003 0.000 0.282 148 T C 0.423 175.224 174.700 0.168 0.000 1.000 148 T CA -0.544 61.622 62.100 0.110 0.000 1.042 148 T CB 1.089 70.022 68.868 0.109 0.000 0.973 148 T HN 0.310 8.550 8.240 -0.000 0.000 0.465 149 R N 1.760 122.348 120.500 0.146 0.000 2.679 149 R HA 0.304 4.646 4.340 0.003 0.000 0.269 149 R C -0.089 176.291 176.300 0.133 0.000 1.076 149 R CA -0.512 55.678 56.100 0.150 0.000 1.160 149 R CB 0.294 30.646 30.300 0.086 0.000 1.054 149 R HN 0.559 8.829 8.270 -0.000 0.000 0.507 150 L N 4.616 125.921 121.223 0.137 0.000 2.490 150 L HA 0.118 4.459 4.340 0.003 0.000 0.274 150 L C -1.782 175.005 176.870 -0.137 0.000 1.201 150 L CA -1.521 53.327 54.840 0.013 0.000 0.869 150 L CB 0.413 42.501 42.059 0.048 0.000 1.123 150 L HN 0.487 8.717 8.230 -0.000 0.000 0.484 151 P HA 0.003 4.423 4.420 -0.000 0.000 0.266 151 P C -0.613 176.530 177.300 -0.263 0.000 1.195 151 P CA -0.205 62.717 63.100 -0.296 0.000 0.768 151 P CB 0.427 31.863 31.700 -0.440 0.000 0.838 152 K N 1.756 122.034 120.400 -0.204 0.000 2.436 152 K HA 0.207 4.529 4.320 0.003 0.000 0.275 152 K C 1.218 177.677 176.600 -0.234 0.000 0.999 152 K CA 1.010 57.182 56.287 -0.192 0.000 0.980 152 K CB -0.405 32.006 32.500 -0.148 0.000 0.919 152 K HN 0.777 9.027 8.250 -0.000 0.000 0.484 153 G N 1.669 110.333 108.800 -0.226 0.000 2.199 153 G HA2 -0.233 3.729 3.960 0.003 0.000 0.254 153 G HA3 -0.233 3.729 3.960 0.003 0.000 0.254 153 G C -0.197 174.543 174.900 -0.267 0.000 0.982 153 G CA 0.147 45.101 45.100 -0.243 0.000 0.632 153 G HN 0.489 8.779 8.290 -0.000 0.000 0.529 154 V N 0.885 120.634 119.914 -0.275 0.000 2.394 154 V HA 0.795 4.917 4.120 0.003 0.000 0.282 154 V C 0.774 176.766 176.094 -0.170 0.000 1.031 154 V CA 0.272 62.421 62.300 -0.251 0.000 0.881 154 V CB 1.401 33.018 31.823 -0.344 0.000 0.982 154 V HN 1.003 9.193 8.190 -0.000 0.000 0.451 155 G N 2.879 111.617 108.800 -0.102 0.000 2.659 155 G HA2 0.674 4.635 3.960 0.003 0.000 0.296 155 G HA3 0.674 4.635 3.960 0.003 0.000 0.296 155 G C -1.413 173.533 174.900 0.076 0.000 1.369 155 G CA -0.637 44.477 45.100 0.023 0.000 0.937 155 G HN 0.347 8.637 8.290 -0.000 0.000 0.485 156 F N 0.916 121.004 119.950 0.231 0.000 2.412 156 F HA 0.410 4.938 4.527 0.002 0.000 0.348 156 F C 1.426 177.350 175.800 0.207 0.000 1.102 156 F CA -0.449 57.693 58.000 0.236 0.000 1.196 156 F CB 1.293 40.443 39.000 0.250 0.000 1.144 156 F HN 0.406 8.706 8.300 -0.000 0.000 0.541 157 R N 3.377 124.071 120.500 0.323 0.000 2.265 157 R HA 0.694 5.036 4.340 0.003 0.000 0.314 157 R C -1.338 174.981 176.300 0.032 0.000 1.053 157 R CA -0.564 55.532 56.100 -0.008 0.000 0.931 157 R CB 0.929 31.202 30.300 -0.046 0.000 1.024 157 R HN 0.550 8.820 8.270 -0.000 0.000 0.457 158 V N -0.175 119.678 119.914 -0.102 0.000 3.141 158 V HA 0.872 4.994 4.120 0.003 0.000 0.312 158 V C 0.565 176.591 176.094 -0.112 0.000 1.157 158 V CA -0.160 62.109 62.300 -0.051 0.000 1.041 158 V CB 0.994 32.798 31.823 -0.031 0.000 1.071 158 V HN 1.175 9.365 8.190 -0.000 0.000 0.441 159 G N -0.032 108.712 108.800 -0.094 0.000 2.641 159 G HA2 0.343 4.305 3.960 0.003 0.000 0.254 159 G HA3 0.343 4.305 3.960 0.003 0.000 0.254 159 G C 1.067 175.933 174.900 -0.058 0.000 1.315 159 G CA 0.538 45.588 45.100 -0.084 0.000 0.907 159 G HN 3.198 11.488 8.290 -0.000 0.000 0.572 160 G N -1.657 107.115 108.800 -0.046 0.000 2.601 160 G HA2 -0.121 3.841 3.960 0.003 0.000 0.252 160 G HA3 -0.121 3.841 3.960 0.003 0.000 0.252 160 G C 0.814 175.711 174.900 -0.005 0.000 1.294 160 G CA 1.178 46.263 45.100 -0.025 0.000 0.912 160 G HN 1.525 9.815 8.290 -0.000 0.000 0.574 161 E N -0.448 119.757 120.200 0.009 0.000 2.110 161 E HA -0.044 4.307 4.350 0.003 0.000 0.193 161 E C 2.576 179.200 176.600 0.041 0.000 0.988 161 E CA 2.048 58.462 56.400 0.024 0.000 0.804 161 E CB -0.121 29.597 29.700 0.029 0.000 0.745 161 E HN 0.769 9.129 8.360 -0.000 0.000 0.458 162 T N -3.145 111.440 114.554 0.051 0.000 2.975 162 T HA 0.217 4.569 4.350 0.003 0.000 0.261 162 T C 0.881 175.656 174.700 0.125 0.000 0.984 162 T CA 0.019 62.174 62.100 0.092 0.000 0.911 162 T CB 0.584 69.510 68.868 0.097 0.000 1.127 162 T HN 0.085 8.325 8.240 -0.000 0.000 0.514 163 G N 1.378 110.223 108.800 0.076 0.000 2.599 163 G HA2 0.459 4.420 3.960 0.003 0.000 0.264 163 G HA3 0.459 4.420 3.960 0.003 0.000 0.264 163 G C -0.279 174.658 174.900 0.062 0.000 1.200 163 G CA -0.534 44.615 45.100 0.083 0.000 0.896 163 G HN 0.337 8.627 8.290 -0.000 0.000 0.536 164 S N 0.143 115.876 115.700 0.054 0.000 2.549 164 S HA 0.099 4.570 4.470 0.003 0.000 0.286 164 S C 1.008 175.550 174.600 -0.097 0.000 1.314 164 S CA -0.296 57.903 58.200 -0.001 0.000 1.062 164 S CB 1.144 64.332 63.200 -0.021 0.000 0.865 164 S HN 0.527 8.837 8.310 -0.000 0.000 0.498 165 K N 1.468 121.831 120.400 -0.060 0.000 2.352 165 K HA 0.178 4.500 4.320 0.003 0.000 0.194 165 K C -0.494 175.865 176.600 -0.400 0.000 1.038 165 K CA 0.688 56.857 56.287 -0.197 0.000 1.023 165 K CB 0.170 32.584 32.500 -0.143 0.000 0.840 165 K HN 0.593 8.843 8.250 -0.000 0.000 0.519 166 Y N -0.711 119.487 120.300 -0.169 0.000 2.512 166 Y HA 0.385 4.936 4.550 0.002 0.000 0.348 166 Y C -0.309 175.473 175.900 -0.195 0.000 0.990 166 Y CA -1.336 56.691 58.100 -0.121 0.000 1.033 166 Y CB 1.334 39.806 38.460 0.020 0.000 1.259 166 Y HN -0.271 8.009 8.280 -0.000 0.000 0.461 167 F N 1.366 121.488 119.950 0.286 0.000 2.422 167 F HA 0.648 5.177 4.527 0.003 0.000 0.333 167 F C -0.360 175.608 175.800 0.280 0.000 1.095 167 F CA -1.223 56.922 58.000 0.242 0.000 1.038 167 F CB 1.391 40.497 39.000 0.176 0.000 1.156 167 F HN 0.009 8.309 8.300 -0.000 0.000 0.483 168 V N 4.731 124.947 119.914 0.504 0.000 2.444 168 V HA 0.380 4.502 4.120 0.003 0.000 0.294 168 V C -0.905 175.418 176.094 0.382 0.000 1.022 168 V CA -0.760 61.791 62.300 0.418 0.000 0.850 168 V CB 1.741 33.810 31.823 0.411 0.000 0.992 168 V HN 0.542 8.732 8.190 -0.000 0.000 0.426 169 L N 4.724 126.084 121.223 0.228 0.000 2.282 169 L HA 0.587 4.929 4.340 0.003 0.000 0.288 169 L C -0.234 176.704 176.870 0.114 0.000 1.033 169 L CA 0.335 55.266 54.840 0.150 0.000 0.807 169 L CB 1.461 43.565 42.059 0.075 0.000 1.209 169 L HN 0.793 9.023 8.230 -0.000 0.000 0.423 170 Q N 4.056 123.961 119.800 0.176 0.000 2.333 170 Q HA 0.599 4.940 4.340 0.003 0.000 0.265 170 Q C -1.795 174.257 176.000 0.086 0.000 0.989 170 Q CA -0.717 55.189 55.803 0.172 0.000 0.842 170 Q CB 1.677 30.619 28.738 0.340 0.000 1.262 170 Q HN 0.634 8.904 8.270 -0.000 0.000 0.451 171 V N 4.463 124.393 119.914 0.028 0.000 2.378 171 V HA 0.227 4.349 4.120 0.003 0.000 0.288 171 V C -0.472 175.461 176.094 -0.268 0.000 1.016 171 V CA -0.709 61.492 62.300 -0.166 0.000 0.840 171 V CB 1.347 33.019 31.823 -0.251 0.000 0.994 171 V HN 0.766 8.956 8.190 -0.000 0.000 0.431 172 H N 5.307 124.003 119.070 -0.623 0.000 2.640 172 H HA 0.404 4.962 4.556 0.003 0.000 0.297 172 H C -1.384 173.610 175.328 -0.556 0.000 1.073 172 H CA -0.582 54.991 56.048 -0.793 0.000 1.305 172 H CB 0.536 29.584 29.762 -1.191 0.000 1.404 172 H HN 0.604 8.884 8.280 -0.000 0.000 0.459 173 Y N 3.277 123.375 120.300 -0.336 0.000 2.313 173 Y HA 0.182 4.734 4.550 0.003 0.000 0.332 173 Y C 1.199 176.871 175.900 -0.381 0.000 1.071 173 Y CA 0.301 58.252 58.100 -0.249 0.000 1.169 173 Y CB 1.919 40.339 38.460 -0.067 0.000 1.192 173 Y HN 0.817 9.097 8.280 -0.000 0.000 0.487 174 G N 1.657 110.370 108.800 -0.146 0.000 2.615 174 G HA2 -0.094 3.868 3.960 0.003 0.000 0.213 174 G HA3 -0.094 3.868 3.960 0.003 0.000 0.213 174 G C 0.606 175.501 174.900 -0.009 0.000 1.215 174 G CA 0.400 45.416 45.100 -0.139 0.000 0.843 174 G HN 0.605 8.895 8.290 -0.000 0.000 0.571 175 D N 0.087 120.513 120.400 0.042 0.000 2.216 175 D HA 0.034 4.676 4.640 0.003 0.000 0.208 175 D C 1.713 178.044 176.300 0.052 0.000 0.960 175 D CA 0.794 54.822 54.000 0.047 0.000 0.861 175 D CB -0.034 40.795 40.800 0.050 0.000 0.985 175 D HN 0.423 8.793 8.370 -0.000 0.000 0.493 176 I N -1.040 119.575 120.570 0.076 0.000 6.104 176 I HA -0.342 3.830 4.170 0.003 0.000 0.150 176 I C 0.860 177.013 176.117 0.060 0.000 1.789 176 I CA 1.077 62.412 61.300 0.059 0.000 2.209 176 I CB -2.590 35.423 38.000 0.023 0.000 3.373 176 I HN 0.007 8.217 8.210 -0.000 0.000 0.234 177 S N -0.445 115.290 115.700 0.058 0.000 2.603 177 S HA 0.592 5.064 4.470 0.003 0.000 0.220 177 S C 1.155 175.775 174.600 0.033 0.000 0.967 177 S CA 0.010 58.233 58.200 0.038 0.000 0.920 177 S CB -0.134 63.076 63.200 0.018 0.000 0.773 177 S HN 1.178 9.488 8.310 -0.000 0.000 0.529 178 A N 1.526 124.396 122.820 0.083 0.000 2.451 178 A HA 0.562 4.884 4.320 0.003 0.000 0.266 178 A C 0.205 177.921 177.584 0.219 0.000 1.119 178 A CA -0.540 51.543 52.037 0.076 0.000 0.786 178 A CB -1.017 18.146 19.000 0.273 0.000 1.061 178 A HN 0.435 8.585 8.150 -0.000 0.000 0.503 183 H N -0.015 119.038 119.070 -0.030 0.000 2.495 183 H HA 0.487 5.045 4.556 0.003 0.000 0.350 183 H C -0.464 174.822 175.328 -0.070 0.000 1.202 183 H CA -0.007 55.975 56.048 -0.110 0.000 1.322 183 H CB 0.931 30.622 29.762 -0.118 0.000 1.544 183 H HN -0.135 8.145 8.280 -0.000 0.000 0.565 184 K N 1.112 121.406 120.400 -0.176 0.000 2.218 184 K HA 0.157 4.479 4.320 0.003 0.000 0.276 184 K C -0.801 175.655 176.600 -0.240 0.000 1.022 184 K CA -0.304 55.844 56.287 -0.231 0.000 0.946 184 K CB 0.687 33.109 32.500 -0.130 0.000 1.000 184 K HN 0.581 8.831 8.250 -0.000 0.000 0.468 185 D N 1.196 121.430 120.400 -0.276 0.000 2.375 185 D HA 0.241 4.883 4.640 0.003 0.000 0.247 185 D C -0.889 175.351 176.300 -0.101 0.000 1.061 185 D CA -0.593 53.318 54.000 -0.147 0.000 0.834 185 D CB 0.986 41.705 40.800 -0.136 0.000 1.247 185 D HN 0.447 8.817 8.370 -0.000 0.000 0.489 186 c N 2.944 121.520 118.600 -0.040 0.000 2.660 186 c HA 0.383 4.954 4.570 0.003 0.000 0.265 186 c C 0.284 174.350 174.090 -0.041 0.000 1.573 186 c CA -0.451 55.846 56.329 -0.053 0.000 1.751 186 c CB -1.462 41.019 42.510 -0.049 0.000 3.033 186 c HN 0.533 8.763 8.230 -0.000 0.000 0.511 187 S N 1.174 116.862 115.700 -0.019 0.000 2.572 187 S HA 0.605 5.077 4.470 0.003 0.000 0.279 187 S C 0.736 175.281 174.600 -0.092 0.000 1.341 187 S CA 0.808 58.968 58.200 -0.067 0.000 1.043 187 S CB 1.004 64.160 63.200 -0.074 0.000 0.887 187 S HN 0.901 9.211 8.310 -0.000 0.000 0.516 188 G N 0.584 109.302 108.800 -0.136 0.000 2.441 188 G HA2 0.439 4.401 3.960 0.003 0.000 0.225 188 G HA3 0.439 4.401 3.960 0.003 0.000 0.225 188 G C -1.830 172.985 174.900 -0.143 0.000 1.200 188 G CA -0.449 44.582 45.100 -0.115 0.000 0.947 188 G HN 0.751 9.041 8.290 -0.000 0.000 0.484 189 V N 0.143 119.987 119.914 -0.116 0.000 2.841 189 V HA 0.719 4.841 4.120 0.003 0.000 0.310 189 V C -0.197 175.812 176.094 -0.143 0.000 1.090 189 V CA -0.667 61.546 62.300 -0.145 0.000 0.930 189 V CB 1.715 33.450 31.823 -0.146 0.000 1.014 189 V HN 0.913 9.103 8.190 -0.000 0.000 0.425 190 S N 2.756 118.365 115.700 -0.151 0.000 2.438 190 S HA 0.661 5.133 4.470 0.003 0.000 0.293 190 S C -0.638 173.848 174.600 -0.190 0.000 1.141 190 S CA -0.398 57.717 58.200 -0.142 0.000 1.080 190 S CB 0.824 63.956 63.200 -0.113 0.000 0.978 190 S HN 0.525 8.835 8.310 -0.000 0.000 0.479 191 V N 5.950 125.725 119.914 -0.230 0.000 2.398 191 V HA 0.338 4.460 4.120 0.003 0.000 0.286 191 V C 0.003 175.926 176.094 -0.285 0.000 1.026 191 V CA -0.835 61.254 62.300 -0.352 0.000 0.868 191 V CB 1.170 32.709 31.823 -0.473 0.000 0.982 191 V HN 0.950 9.140 8.190 -0.000 0.000 0.443 192 H N 5.532 124.350 119.070 -0.419 0.000 2.652 192 H HA 0.493 5.051 4.556 0.003 0.000 0.298 192 H C -0.986 174.115 175.328 -0.378 0.000 1.076 192 H CA -0.777 55.064 56.048 -0.344 0.000 1.360 192 H CB 0.619 30.218 29.762 -0.271 0.000 1.421 192 H HN 0.383 8.663 8.280 -0.000 0.000 0.464 193 L N 4.574 125.653 121.223 -0.241 0.000 2.334 193 L HA 0.377 4.719 4.340 0.003 0.000 0.276 193 L C 0.361 177.096 176.870 -0.225 0.000 1.014 193 L CA -0.296 54.329 54.840 -0.358 0.000 0.815 193 L CB 1.682 43.233 42.059 -0.846 0.000 1.268 193 L HN 0.671 8.901 8.230 -0.000 0.000 0.428 194 T N 1.582 116.114 114.554 -0.035 0.000 2.903 194 T HA 0.476 4.828 4.350 0.003 0.000 0.299 194 T C 0.508 175.323 174.700 0.193 0.000 1.093 194 T CA -0.404 61.737 62.100 0.070 0.000 1.002 194 T CB 1.550 70.450 68.868 0.053 0.000 1.127 194 T HN 0.668 8.908 8.240 -0.000 0.000 0.488 195 R N 1.423 122.043 120.500 0.199 0.000 2.397 195 R HA 0.346 4.688 4.340 0.003 0.000 0.241 195 R C -0.014 176.431 176.300 0.241 0.000 0.914 195 R CA -0.097 56.159 56.100 0.259 0.000 1.071 195 R CB 0.591 31.005 30.300 0.190 0.000 1.116 195 R HN 0.373 8.643 8.270 -0.000 0.000 0.524 196 V N 3.914 123.901 119.914 0.121 0.000 2.446 196 V HA 0.100 4.221 4.120 0.003 0.000 0.276 196 V C -2.094 173.863 176.094 -0.229 0.000 1.030 196 V CA -1.500 60.791 62.300 -0.015 0.000 1.033 196 V CB 0.646 32.437 31.823 -0.054 0.000 0.993 196 V HN -0.008 8.182 8.190 -0.000 0.000 0.477 197 P HA 0.096 4.516 4.420 -0.000 0.000 0.265 197 P C -0.484 176.363 177.300 -0.754 0.000 1.193 197 P CA -0.032 62.589 63.100 -0.798 0.000 0.765 197 P CB 0.385 31.925 31.700 -0.266 0.000 0.823 198 Q N 4.376 123.554 119.800 -1.037 0.000 2.230 198 Q HA 0.203 4.545 4.340 0.003 0.000 0.253 198 Q C -1.434 174.360 176.000 -0.344 0.000 0.919 198 Q CA -1.961 53.511 55.803 -0.552 0.000 0.908 198 Q CB 0.614 29.070 28.738 -0.469 0.000 1.245 198 Q HN 0.357 8.627 8.270 -0.000 0.000 0.437 199 P HA -0.061 4.359 4.420 -0.000 0.000 0.220 199 P C -0.061 177.150 177.300 -0.148 0.000 1.148 199 P CA 1.043 64.033 63.100 -0.184 0.000 0.803 199 P CB 0.539 32.134 31.700 -0.174 0.000 0.782 200 L N 0.081 121.206 121.223 -0.164 0.000 2.385 200 L HA 0.427 4.768 4.340 0.003 0.000 0.273 200 L C -0.207 176.644 176.870 -0.032 0.000 0.990 200 L CA -1.090 53.691 54.840 -0.099 0.000 0.821 200 L CB 2.313 44.213 42.059 -0.265 0.000 1.279 200 L HN -0.280 7.950 8.230 -0.000 0.000 0.412 201 I N 2.548 123.177 120.570 0.098 0.000 2.339 201 I HA 0.454 4.626 4.170 0.003 0.000 0.290 201 I C 0.602 176.804 176.117 0.141 0.000 0.994 201 I CA -0.450 60.930 61.300 0.134 0.000 1.191 201 I CB 1.537 39.656 38.000 0.198 0.000 1.343 201 I HN 0.633 8.843 8.210 -0.000 0.000 0.458 202 A N 4.900 127.677 122.820 -0.072 0.000 2.371 202 A HA 0.779 5.101 4.320 0.003 0.000 0.257 202 A C 0.493 177.881 177.584 -0.327 0.000 1.089 202 A CA 0.099 51.954 52.037 -0.303 0.000 0.794 202 A CB 0.547 18.976 19.000 -0.953 0.000 1.029 202 A HN 0.925 9.075 8.150 -0.000 0.000 0.488 203 G N -0.500 107.963 108.800 -0.562 0.000 2.788 203 G HA2 0.588 4.549 3.960 0.003 0.000 0.293 203 G HA3 0.588 4.549 3.960 0.003 0.000 0.293 203 G C -1.386 173.056 174.900 -0.764 0.000 1.392 203 G CA -0.574 44.159 45.100 -0.613 0.000 0.810 203 G HN 0.811 9.101 8.290 -0.000 0.000 0.508 204 M N 0.353 119.839 119.600 -0.191 0.000 2.204 204 M HA 0.559 5.040 4.480 0.003 0.000 0.293 204 M C -2.226 174.412 176.300 0.562 0.000 0.994 204 M CA -1.070 54.362 55.300 0.220 0.000 0.925 204 M CB 1.789 34.614 32.600 0.375 0.000 1.577 204 M HN 0.481 8.771 8.290 -0.000 0.000 0.439 205 Y N 5.568 126.196 120.300 0.546 0.000 2.434 205 Y HA 0.618 5.170 4.550 0.003 0.000 0.341 205 Y C -1.570 174.501 175.900 0.285 0.000 0.965 205 Y CA -0.960 57.406 58.100 0.444 0.000 1.205 205 Y CB 0.809 39.501 38.460 0.387 0.000 1.121 205 Y HN 0.710 8.990 8.280 -0.000 0.000 0.507 206 L N 7.184 128.511 121.223 0.173 0.000 2.264 206 L HA 0.516 4.857 4.340 0.003 0.000 0.289 206 L C -1.145 175.760 176.870 0.058 0.000 1.044 206 L CA -0.367 54.518 54.840 0.074 0.000 0.807 206 L CB 0.621 42.685 42.059 0.007 0.000 1.192 206 L HN 0.624 8.854 8.230 -0.000 0.000 0.425 207 M N 8.004 127.659 119.600 0.092 0.000 2.149 207 M HA 0.528 5.009 4.480 0.003 0.000 0.342 207 M C -0.648 175.663 176.300 0.019 0.000 1.068 207 M CA -0.304 55.068 55.300 0.119 0.000 0.991 207 M CB 1.465 34.187 32.600 0.204 0.000 1.596 207 M HN 0.706 8.996 8.290 -0.000 0.000 0.439 208 M N 0.668 120.283 119.600 0.026 0.000 2.378 208 M HA 0.625 5.107 4.480 0.003 0.000 0.289 208 M C -1.205 175.116 176.300 0.035 0.000 1.136 208 M CA -0.700 54.609 55.300 0.015 0.000 0.917 208 M CB 2.095 34.688 32.600 -0.012 0.000 1.669 208 M HN 0.350 8.640 8.290 -0.000 0.000 0.461 209 S N 1.630 117.356 115.700 0.043 0.000 2.580 209 S HA 0.409 4.881 4.470 0.003 0.000 0.274 209 S C 0.982 175.594 174.600 0.019 0.000 1.329 209 S CA -0.513 57.709 58.200 0.037 0.000 1.036 209 S CB 1.544 64.779 63.200 0.058 0.000 0.919 209 S HN 0.780 9.090 8.310 -0.000 0.000 0.515 210 V N -1.200 118.720 119.914 0.011 0.000 3.473 210 V HA 0.205 4.327 4.120 0.003 0.000 0.253 210 V C 0.808 176.900 176.094 -0.003 0.000 1.340 210 V CA 0.475 62.778 62.300 0.005 0.000 1.103 210 V CB -0.217 31.609 31.823 0.005 0.000 0.881 210 V HN 0.792 8.982 8.190 -0.000 0.000 0.451 211 D N 0.372 120.767 120.400 -0.008 0.000 2.433 211 D HA 0.111 4.752 4.640 0.003 0.000 0.211 211 D C 0.618 176.905 176.300 -0.021 0.000 1.114 211 D CA 0.233 54.224 54.000 -0.017 0.000 0.837 211 D CB -0.479 40.311 40.800 -0.017 0.000 0.984 211 D HN 0.385 8.755 8.370 -0.000 0.000 0.505 212 T N 0.514 115.051 114.554 -0.027 0.000 2.908 212 T HA 0.293 4.645 4.350 0.003 0.000 0.301 212 T C 0.100 174.764 174.700 -0.060 0.000 1.019 212 T CA -0.120 61.950 62.100 -0.050 0.000 1.152 212 T CB 1.483 70.299 68.868 -0.087 0.000 0.966 212 T HN -0.057 8.183 8.240 -0.000 0.000 0.540 213 V N 4.822 124.704 119.914 -0.053 0.000 2.483 213 V HA 0.422 4.544 4.120 0.003 0.000 0.297 213 V C -0.142 175.915 176.094 -0.062 0.000 1.027 213 V CA -0.805 61.470 62.300 -0.042 0.000 0.855 213 V CB 1.631 33.444 31.823 -0.016 0.000 0.995 213 V HN 0.777 8.967 8.190 -0.000 0.000 0.424 214 I N 7.103 127.619 120.570 -0.090 0.000 2.337 214 I HA 0.373 4.545 4.170 0.003 0.000 0.285 214 I C -2.423 173.670 176.117 -0.041 0.000 1.041 214 I CA -1.878 59.375 61.300 -0.078 0.000 1.199 214 I CB 1.703 39.617 38.000 -0.144 0.000 1.370 214 I HN 0.407 8.617 8.210 -0.000 0.000 0.470 215 P HA 0.133 4.553 4.420 -0.000 0.000 0.272 215 P C -2.453 174.843 177.300 -0.006 0.000 1.223 215 P CA -1.260 61.834 63.100 -0.009 0.000 0.784 215 P CB -0.204 31.494 31.700 -0.004 0.000 0.923 216 P HA 0.023 4.443 4.420 -0.000 0.000 0.267 216 P C 0.891 178.192 177.300 0.002 0.000 1.209 216 P CA 0.873 63.971 63.100 -0.002 0.000 0.763 216 P CB 0.157 31.857 31.700 -0.001 0.000 0.816 217 G N 2.232 111.035 108.800 0.006 0.000 2.205 217 G HA2 -0.282 3.679 3.960 0.003 0.000 0.261 217 G HA3 -0.282 3.679 3.960 0.003 0.000 0.261 217 G C 0.250 175.156 174.900 0.011 0.000 0.980 217 G CA 0.272 45.377 45.100 0.008 0.000 0.632 217 G HN 0.655 8.945 8.290 -0.000 0.000 0.533 218 E N 0.993 121.200 120.200 0.012 0.000 2.417 218 E HA 0.387 4.739 4.350 0.003 0.000 0.261 218 E C 1.504 178.118 176.600 0.023 0.000 1.000 218 E CA 0.496 56.905 56.400 0.015 0.000 0.919 218 E CB 0.650 30.358 29.700 0.014 0.000 0.955 218 E HN 0.380 8.740 8.360 -0.000 0.000 0.455 219 K N 2.846 123.257 120.400 0.019 0.000 2.009 219 K HA -0.046 4.275 4.320 0.003 0.000 0.210 219 K C -0.299 176.319 176.600 0.029 0.000 1.049 219 K CA 1.252 57.551 56.287 0.020 0.000 0.929 219 K CB 0.279 32.786 32.500 0.012 0.000 0.714 219 K HN 0.388 8.638 8.250 -0.000 0.000 0.440 220 V N 1.613 121.544 119.914 0.028 0.000 2.525 220 V HA 0.294 4.416 4.120 0.003 0.000 0.299 220 V C -1.109 175.013 176.094 0.047 0.000 1.034 220 V CA -0.937 61.384 62.300 0.035 0.000 0.863 220 V CB 1.879 33.711 31.823 0.016 0.000 0.999 220 V HN -0.089 8.101 8.190 -0.000 0.000 0.423 221 V N 4.489 124.455 119.914 0.087 0.000 2.444 221 V HA 0.429 4.550 4.120 0.003 0.000 0.294 221 V C -0.123 176.054 176.094 0.138 0.000 1.022 221 V CA -0.769 61.593 62.300 0.104 0.000 0.850 221 V CB 1.793 33.685 31.823 0.116 0.000 0.992 221 V HN 0.932 9.122 8.190 -0.000 0.000 0.426 222 N N 2.652 121.394 118.700 0.071 0.000 2.455 222 N HA 0.673 5.415 4.740 0.003 0.000 0.280 222 N C -0.300 175.244 175.510 0.057 0.000 1.055 222 N CA -0.341 52.734 53.050 0.041 0.000 0.961 222 N CB 1.650 40.125 38.487 -0.020 0.000 1.121 222 N HN 0.843 9.223 8.380 -0.000 0.000 0.476 223 A N 2.124 124.998 122.820 0.089 0.000 2.267 223 A HA 0.330 4.651 4.320 0.003 0.000 0.315 223 A C -1.116 176.445 177.584 -0.039 0.000 1.297 223 A CA -0.776 51.304 52.037 0.073 0.000 0.865 223 A CB 0.379 19.529 19.000 0.250 0.000 1.165 223 A HN 0.556 8.706 8.150 -0.000 0.000 0.513 224 D N 1.775 122.066 120.400 -0.182 0.000 2.168 224 D HA 0.640 5.282 4.640 0.003 0.000 0.246 224 D C -0.413 175.764 176.300 -0.204 0.000 1.050 224 D CA 0.267 54.017 54.000 -0.417 0.000 0.857 224 D CB 1.701 41.819 40.800 -1.136 0.000 1.169 224 D HN 0.442 8.812 8.370 -0.000 0.000 0.453 225 I N 0.851 121.431 120.570 0.016 0.000 2.533 225 I HA 0.392 4.563 4.170 0.003 0.000 0.290 225 I C -0.501 175.818 176.117 0.336 0.000 1.056 225 I CA -0.722 60.668 61.300 0.149 0.000 1.057 225 I CB 1.993 40.083 38.000 0.149 0.000 1.240 225 I HN 0.283 8.493 8.210 -0.000 0.000 0.423 226 S N 4.278 120.142 115.700 0.272 0.000 2.566 226 S HA 0.758 5.230 4.470 0.003 0.000 0.273 226 S C -1.205 173.494 174.600 0.166 0.000 1.157 226 S CA -0.623 57.736 58.200 0.266 0.000 0.938 226 S CB 1.563 64.985 63.200 0.370 0.000 1.087 226 S HN 0.668 8.978 8.310 -0.000 0.000 0.474 227 c N 2.086 120.769 118.600 0.137 0.000 2.888 227 c HA 0.608 5.180 4.570 0.003 0.000 0.308 227 c C -0.226 173.900 174.090 0.060 0.000 1.213 227 c CA -0.592 55.806 56.329 0.115 0.000 1.461 227 c CB 1.857 44.484 42.510 0.195 0.000 1.934 227 c HN 1.038 9.268 8.230 -0.000 0.000 0.474 228 Q N 0.822 120.631 119.800 0.015 0.000 2.304 228 Q HA 0.285 4.627 4.340 0.003 0.000 0.260 228 Q C -1.338 174.634 176.000 -0.047 0.000 0.965 228 Q CA -0.050 55.729 55.803 -0.040 0.000 0.898 228 Q CB 0.633 29.324 28.738 -0.079 0.000 1.196 228 Q HN 0.720 8.990 8.270 -0.000 0.000 0.402 229 Y N 3.344 123.521 120.300 -0.205 0.000 2.336 229 Y HA 0.181 4.733 4.550 0.003 0.000 0.335 229 Y C -0.192 175.405 175.900 -0.505 0.000 1.046 229 Y CA 0.403 58.359 58.100 -0.241 0.000 1.198 229 Y CB 0.736 39.057 38.460 -0.232 0.000 1.182 229 Y HN 0.608 8.889 8.280 -0.000 0.000 0.502 230 K N 5.825 125.632 120.400 -0.989 0.000 2.619 230 K HA 0.224 4.545 4.320 0.003 0.000 0.201 230 K C -0.721 175.355 176.600 -0.872 0.000 1.090 230 K CA -0.158 55.327 56.287 -1.337 0.000 1.063 230 K CB 0.468 32.435 32.500 -0.888 0.000 0.810 230 K HN 0.580 8.830 8.250 -0.000 0.000 0.506 231 M N -0.327 118.727 119.600 -0.910 0.000 2.840 231 M HA 0.333 4.814 4.480 0.003 0.000 0.283 231 M C 0.266 176.536 176.300 -0.050 0.000 1.136 231 M CA -0.907 54.151 55.300 -0.404 0.000 0.857 231 M CB -0.035 32.316 32.600 -0.416 0.000 1.644 231 M HN -0.116 8.174 8.290 -0.000 0.000 0.520 232 Y N 0.598 120.945 120.300 0.078 0.000 2.385 232 Y HA 0.123 4.674 4.550 0.002 0.000 0.346 232 Y C -1.630 174.392 175.900 0.202 0.000 1.270 232 Y CA -0.824 57.325 58.100 0.081 0.000 1.472 232 Y CB -0.616 37.830 38.460 -0.023 0.000 1.354 232 Y HN 0.326 8.606 8.280 -0.000 0.000 0.611 233 P HA -0.019 4.401 4.420 -0.000 0.000 0.264 233 P C -0.706 176.655 177.300 0.102 0.000 1.193 233 P CA 0.365 63.544 63.100 0.132 0.000 0.763 233 P CB 0.142 31.901 31.700 0.098 0.000 0.810 234 M N 2.177 121.697 119.600 -0.133 0.000 2.578 234 M HA 0.561 5.043 4.480 0.003 0.000 0.321 234 M C -1.034 175.073 176.300 -0.323 0.000 1.182 234 M CA -0.385 54.812 55.300 -0.172 0.000 0.965 234 M CB 1.871 34.209 32.600 -0.437 0.000 1.694 234 M HN 0.199 8.489 8.290 -0.000 0.000 0.461 235 H N 1.119 120.030 119.070 -0.263 0.000 2.587 235 H HA 0.521 5.079 4.556 0.003 0.000 0.325 235 H C -1.037 174.170 175.328 -0.203 0.000 1.012 235 H CA -0.429 55.396 56.048 -0.372 0.000 1.213 235 H CB 1.756 31.047 29.762 -0.785 0.000 1.431 235 H HN 0.572 8.852 8.280 -0.000 0.000 0.492 236 V N 6.020 125.936 119.914 0.004 0.000 2.470 236 V HA -0.030 4.092 4.120 0.003 0.000 0.276 236 V C 0.506 176.709 176.094 0.182 0.000 1.040 236 V CA 0.353 62.694 62.300 0.069 0.000 1.008 236 V CB -0.440 31.398 31.823 0.024 0.000 0.990 236 V HN 0.835 9.025 8.190 -0.000 0.000 0.477 237 F N 2.317 122.352 119.950 0.142 0.000 2.746 237 F HA 0.862 5.390 4.527 0.003 0.000 0.313 237 F C 0.499 176.418 175.800 0.199 0.000 1.095 237 F CA 0.043 58.146 58.000 0.171 0.000 1.224 237 F CB 0.199 39.320 39.000 0.201 0.000 1.060 237 F HN 0.466 8.766 8.300 -0.000 0.000 0.584 238 A N 0.499 123.233 122.820 -0.144 0.000 2.609 238 A HA 0.735 5.057 4.320 0.003 0.000 0.291 238 A C -2.006 175.745 177.584 0.278 0.000 1.096 238 A CA -0.590 51.488 52.037 0.069 0.000 0.684 238 A CB 1.117 20.088 19.000 -0.048 0.000 1.282 238 A HN 0.594 8.744 8.150 -0.000 0.000 0.412 239 Y N -0.988 119.510 120.300 0.330 0.000 2.581 239 Y HA 0.858 5.410 4.550 0.003 0.000 0.337 239 Y C -0.921 175.082 175.900 0.172 0.000 1.108 239 Y CA -0.937 57.356 58.100 0.323 0.000 1.033 239 Y CB 1.299 39.861 38.460 0.170 0.000 1.318 239 Y HN 0.899 9.179 8.280 -0.000 0.000 0.459 240 R N 2.653 123.139 120.500 -0.024 0.000 2.628 240 R HA 0.771 5.113 4.340 0.003 0.000 0.288 240 R C -1.709 174.676 176.300 0.141 0.000 0.980 240 R CA -0.997 54.897 56.100 -0.344 0.000 0.891 240 R CB 2.347 31.888 30.300 -1.265 0.000 1.188 240 R HN 0.996 9.266 8.270 -0.000 0.000 0.450 241 V N 0.724 120.731 119.914 0.155 0.000 2.667 241 V HA 0.656 4.778 4.120 0.003 0.000 0.308 241 V C -1.250 174.983 176.094 0.232 0.000 1.048 241 V CA -0.570 61.857 62.300 0.211 0.000 0.928 241 V CB 1.574 33.496 31.823 0.166 0.000 1.004 241 V HN 0.962 9.152 8.190 -0.000 0.000 0.444 242 H N 1.279 120.432 119.070 0.138 0.000 2.877 242 H HA 0.782 5.339 4.556 0.003 0.000 0.347 242 H C -0.781 174.607 175.328 0.101 0.000 1.042 242 H CA 0.276 56.404 56.048 0.134 0.000 1.276 242 H CB 2.124 32.026 29.762 0.233 0.000 1.681 242 H HN 1.052 9.332 8.280 -0.000 0.000 0.521 243 T N 3.054 117.321 114.554 -0.479 0.000 2.843 243 T HA 0.310 4.662 4.350 0.003 0.000 0.302 243 T C -0.526 173.999 174.700 -0.292 0.000 1.232 243 T CA -0.645 61.260 62.100 -0.326 0.000 1.009 243 T CB 1.133 69.952 68.868 -0.083 0.000 1.254 243 T HN 0.747 8.987 8.240 -0.000 0.000 0.504 244 H N -0.424 118.528 119.070 -0.196 0.000 3.188 244 H HA 0.344 4.901 4.556 0.003 0.000 0.204 244 H C 0.814 176.103 175.328 -0.066 0.000 1.565 244 H CA -0.544 55.382 56.048 -0.202 0.000 1.695 244 H CB 0.435 30.076 29.762 -0.200 0.000 1.392 244 H HN 0.708 8.988 8.280 -0.000 0.000 0.965 245 H N -0.340 118.828 119.070 0.162 0.000 2.546 245 H HA -0.006 4.552 4.556 0.003 0.000 0.277 245 H C 1.566 176.955 175.328 0.102 0.000 1.004 245 H CA 0.356 56.463 56.048 0.098 0.000 1.231 245 H CB 0.188 29.987 29.762 0.061 0.000 1.382 245 H HN 0.239 8.519 8.280 -0.000 0.000 0.580 246 L N -0.145 121.228 121.223 0.250 0.000 2.509 246 L HA 0.137 4.479 4.340 0.003 0.000 0.222 246 L C 1.414 178.472 176.870 0.313 0.000 1.123 246 L CA -0.299 54.692 54.840 0.251 0.000 0.856 246 L CB 0.136 42.319 42.059 0.207 0.000 0.985 246 L HN 0.155 8.385 8.230 -0.000 0.000 0.456 247 G N 0.803 109.760 108.800 0.261 0.000 2.403 247 G HA2 0.214 4.176 3.960 0.003 0.000 0.259 247 G HA3 0.214 4.176 3.960 0.003 0.000 0.259 247 G C 0.743 175.610 174.900 -0.056 0.000 1.244 247 G CA -0.291 44.781 45.100 -0.046 0.000 0.849 247 G HN 0.315 8.605 8.290 -0.000 0.000 0.532 248 K N 0.564 120.885 120.400 -0.132 0.000 2.367 248 K HA 0.375 4.697 4.320 0.003 0.000 0.198 248 K C 0.192 176.740 176.600 -0.087 0.000 1.132 248 K CA -0.019 56.225 56.287 -0.072 0.000 0.941 248 K CB 0.802 33.275 32.500 -0.045 0.000 1.052 248 K HN 0.451 8.701 8.250 -0.000 0.000 0.507 249 V N 1.626 121.458 119.914 -0.137 0.000 2.969 249 V HA 0.457 4.579 4.120 0.003 0.000 0.304 249 V C -1.955 174.055 176.094 -0.139 0.000 1.192 249 V CA -0.767 61.469 62.300 -0.107 0.000 0.962 249 V CB 2.343 34.122 31.823 -0.073 0.000 1.045 249 V HN 0.051 8.241 8.190 -0.000 0.000 0.428 250 V N 5.224 125.083 119.914 -0.092 0.000 2.588 250 V HA 0.798 4.920 4.120 0.003 0.000 0.304 250 V C -0.211 175.852 176.094 -0.051 0.000 1.042 250 V CA -0.269 61.987 62.300 -0.074 0.000 0.877 250 V CB 2.174 33.970 31.823 -0.045 0.000 0.996 250 V HN 0.987 9.177 8.190 -0.000 0.000 0.425 251 S N 2.123 117.806 115.700 -0.027 0.000 2.541 251 S HA 0.883 5.355 4.470 0.003 0.000 0.280 251 S C -0.047 174.523 174.600 -0.050 0.000 1.112 251 S CA -0.635 57.513 58.200 -0.086 0.000 0.925 251 S CB 2.127 65.338 63.200 0.017 0.000 1.067 251 S HN 1.144 9.454 8.310 -0.000 0.000 0.479 252 G N 0.963 109.596 108.800 -0.278 0.000 2.591 252 G HA2 0.729 4.690 3.960 0.003 0.000 0.306 252 G HA3 0.729 4.690 3.960 0.003 0.000 0.306 252 G C -2.047 172.619 174.900 -0.389 0.000 1.334 252 G CA -0.478 44.533 45.100 -0.149 0.000 0.981 252 G HN 0.493 8.783 8.290 -0.000 0.000 0.491 253 Y N -0.308 120.013 120.300 0.035 0.000 2.581 253 Y HA 0.597 5.148 4.550 0.003 0.000 0.345 253 Y C 0.257 176.089 175.900 -0.113 0.000 1.036 253 Y CA -1.068 57.047 58.100 0.025 0.000 1.042 253 Y CB 2.376 40.998 38.460 0.269 0.000 1.289 253 Y HN 0.553 8.833 8.280 -0.000 0.000 0.471 254 R N 1.745 122.249 120.500 0.006 0.000 2.294 254 R HA 0.710 5.051 4.340 0.003 0.000 0.319 254 R C -1.920 174.248 176.300 -0.219 0.000 0.984 254 R CA -0.502 55.509 56.100 -0.149 0.000 0.861 254 R CB 0.871 31.067 30.300 -0.174 0.000 1.104 254 R HN 0.566 8.836 8.270 -0.000 0.000 0.451 255 V N 5.687 125.371 119.914 -0.383 0.000 2.347 255 V HA 0.441 4.563 4.120 0.003 0.000 0.280 255 V C -0.033 175.850 176.094 -0.351 0.000 1.021 255 V CA -0.697 61.271 62.300 -0.553 0.000 0.847 255 V CB 1.223 32.481 31.823 -0.941 0.000 0.990 255 V HN 0.725 8.915 8.190 -0.000 0.000 0.444 256 R N 4.557 124.895 120.500 -0.270 0.000 2.422 256 R HA 0.365 4.707 4.340 0.003 0.000 0.307 256 R C -0.124 176.087 176.300 -0.148 0.000 1.004 256 R CA -0.418 55.575 56.100 -0.178 0.000 0.882 256 R CB 0.459 30.678 30.300 -0.134 0.000 1.164 256 R HN 0.819 9.089 8.270 -0.000 0.000 0.489 257 N N 3.185 121.805 118.700 -0.133 0.000 2.740 257 N HA -0.206 4.536 4.740 0.003 0.000 0.248 257 N C 0.517 175.963 175.510 -0.107 0.000 1.062 257 N CA 1.563 54.553 53.050 -0.100 0.000 0.704 257 N CB -0.933 37.515 38.487 -0.066 0.000 0.968 257 N HN 1.115 9.495 8.380 -0.000 0.000 0.547 258 G N -0.587 108.113 108.800 -0.167 0.000 2.205 258 G HA2 -0.369 3.593 3.960 0.003 0.000 0.261 258 G HA3 -0.369 3.593 3.960 0.003 0.000 0.261 258 G C -0.139 174.678 174.900 -0.139 0.000 0.980 258 G CA 0.719 45.728 45.100 -0.152 0.000 0.632 258 G HN 0.664 8.954 8.290 -0.000 0.000 0.533 259 Q N -0.255 119.452 119.800 -0.155 0.000 2.278 259 Q HA 0.496 4.837 4.340 0.003 0.000 0.257 259 Q C -0.773 175.151 176.000 -0.127 0.000 0.928 259 Q CA -1.092 54.675 55.803 -0.059 0.000 0.932 259 Q CB 0.474 29.191 28.738 -0.034 0.000 1.221 259 Q HN 0.312 8.582 8.270 -0.000 0.000 0.434 260 W N 3.243 124.473 121.300 -0.117 0.000 2.342 260 W HA 0.283 4.945 4.660 0.003 0.000 0.310 260 W C -0.314 176.222 176.519 0.027 0.000 1.128 260 W CA -0.352 56.924 57.345 -0.115 0.000 1.322 260 W CB 1.352 30.608 29.460 -0.340 0.000 1.251 260 W HN 0.388 8.568 8.180 -0.000 0.000 0.439 261 T N 4.994 119.683 114.554 0.226 0.000 2.749 261 T HA 0.272 4.623 4.350 0.003 0.000 0.287 261 T C -0.462 174.368 174.700 0.217 0.000 0.970 261 T CA -0.669 61.530 62.100 0.165 0.000 0.980 261 T CB 0.712 69.596 68.868 0.026 0.000 0.924 261 T HN 0.179 8.419 8.240 -0.000 0.000 0.456 262 L N 4.874 126.188 121.223 0.151 0.000 2.462 262 L HA 0.311 4.653 4.340 0.003 0.000 0.272 262 L C 0.715 177.480 176.870 -0.176 0.000 1.166 262 L CA 0.476 55.237 54.840 -0.132 0.000 0.880 262 L CB -0.071 41.914 42.059 -0.124 0.000 1.142 262 L HN 0.713 8.943 8.230 -0.000 0.000 0.473 263 I N 3.387 123.768 120.570 -0.314 0.000 2.512 263 I HA 0.309 4.481 4.170 0.003 0.000 0.247 263 I C 1.061 176.906 176.117 -0.454 0.000 1.094 263 I CA 0.651 61.795 61.300 -0.260 0.000 1.427 263 I CB -0.089 37.781 38.000 -0.217 0.000 1.149 263 I HN 0.748 8.958 8.210 -0.000 0.000 0.438 264 G N 0.656 109.026 108.800 -0.717 0.000 2.703 264 G HA2 0.611 4.573 3.960 0.003 0.000 0.294 264 G HA3 0.611 4.573 3.960 0.003 0.000 0.294 264 G C -1.554 172.894 174.900 -0.752 0.000 1.451 264 G CA -0.534 43.830 45.100 -1.226 0.000 0.869 264 G HN 0.044 8.335 8.290 -0.000 0.000 0.516 265 R N 0.692 120.905 120.500 -0.478 0.000 2.508 265 R HA 0.612 4.954 4.340 0.003 0.000 0.283 265 R C -1.771 174.485 176.300 -0.074 0.000 1.120 265 R CA -0.650 55.317 56.100 -0.222 0.000 0.958 265 R CB 2.049 32.233 30.300 -0.194 0.000 1.215 265 R HN 0.583 8.853 8.270 -0.000 0.000 0.427 266 Q N 2.323 122.110 119.800 -0.021 0.000 2.377 266 Q HA 0.296 4.638 4.340 0.003 0.000 0.279 266 Q C -1.691 174.291 176.000 -0.029 0.000 1.049 266 Q CA -0.790 55.005 55.803 -0.013 0.000 0.825 266 Q CB 1.813 30.592 28.738 0.068 0.000 1.401 266 Q HN 0.584 8.854 8.270 -0.000 0.000 0.404 267 N N 3.903 122.574 118.700 -0.048 0.000 2.416 267 N HA 0.162 4.903 4.740 0.003 0.000 0.265 267 N C -1.878 173.629 175.510 -0.005 0.000 1.195 267 N CA -1.470 51.561 53.050 -0.032 0.000 0.943 267 N CB 1.052 39.521 38.487 -0.030 0.000 1.115 267 N HN 0.450 8.830 8.380 -0.000 0.000 0.481 268 P HA -0.067 4.353 4.420 -0.000 0.000 0.237 268 P C 0.370 177.704 177.300 0.056 0.000 1.178 268 P CA 0.802 63.918 63.100 0.027 0.000 0.766 268 P CB 0.554 32.248 31.700 -0.010 0.000 0.876 269 Q N -0.858 118.976 119.800 0.056 0.000 2.432 269 Q HA 0.086 4.428 4.340 0.003 0.000 0.205 269 Q C 0.781 176.834 176.000 0.088 0.000 0.945 269 Q CA 0.237 56.095 55.803 0.090 0.000 0.924 269 Q CB -0.391 28.398 28.738 0.084 0.000 1.016 269 Q HN 0.281 8.551 8.270 -0.000 0.000 0.503 270 L N 1.688 122.948 121.223 0.062 0.000 2.439 270 L HA 0.258 4.600 4.340 0.003 0.000 0.261 270 L C -1.998 174.927 176.870 0.091 0.000 1.153 270 L CA -2.137 52.739 54.840 0.061 0.000 0.808 270 L CB -0.464 41.607 42.059 0.021 0.000 1.126 270 L HN -0.110 8.120 8.230 -0.000 0.000 0.460 271 P HA -0.087 4.333 4.420 -0.000 0.000 0.261 271 P C -0.901 176.421 177.300 0.037 0.000 1.158 271 P CA 0.474 63.589 63.100 0.025 0.000 0.758 271 P CB 0.091 31.754 31.700 -0.061 0.000 0.763 272 Q N 1.612 121.378 119.800 -0.056 0.000 3.135 272 Q HA 0.417 4.758 4.340 0.003 0.000 0.344 272 Q C 0.275 176.078 176.000 -0.328 0.000 1.321 272 Q CA -0.479 55.257 55.803 -0.112 0.000 1.050 272 Q CB 0.316 29.010 28.738 -0.074 0.000 1.498 272 Q HN 0.480 8.750 8.270 -0.000 0.000 0.503 273 A N 0.343 122.891 122.820 -0.454 0.000 2.257 273 A HA 0.520 4.842 4.320 0.003 0.000 0.289 273 A C -0.627 176.493 177.584 -0.774 0.000 1.095 273 A CA -0.497 51.147 52.037 -0.656 0.000 0.836 273 A CB 0.432 18.958 19.000 -0.790 0.000 1.111 273 A HN 0.434 8.584 8.150 -0.000 0.000 0.497 274 F N 0.723 120.336 119.950 -0.561 0.000 2.471 274 F HA 0.323 4.852 4.527 0.003 0.000 0.365 274 F C -0.342 175.110 175.800 -0.581 0.000 1.095 274 F CA 1.057 58.782 58.000 -0.458 0.000 1.174 274 F CB 0.119 38.947 39.000 -0.287 0.000 1.105 274 F HN 0.357 8.657 8.300 -0.000 0.000 0.535 275 Y N 4.792 124.875 120.300 -0.362 0.000 2.334 275 Y HA 0.356 4.908 4.550 0.003 0.000 0.328 275 Y C -1.913 173.873 175.900 -0.190 0.000 1.130 275 Y CA -2.811 55.085 58.100 -0.341 0.000 1.163 275 Y CB 0.615 38.760 38.460 -0.525 0.000 1.207 275 Y HN 0.388 8.668 8.280 -0.000 0.000 0.471 276 P HA 0.057 4.477 4.420 -0.000 0.000 0.272 276 P C -0.570 176.910 177.300 0.299 0.000 1.223 276 P CA -0.128 63.104 63.100 0.220 0.000 0.784 276 P CB 1.177 32.987 31.700 0.184 0.000 0.923 277 V N 2.415 122.515 119.914 0.310 0.000 2.649 277 V HA 0.013 4.135 4.120 0.003 0.000 0.292 277 V C 2.145 178.335 176.094 0.160 0.000 1.055 277 V CA 0.189 62.657 62.300 0.280 0.000 1.023 277 V CB 0.406 32.372 31.823 0.239 0.000 0.992 277 V HN 0.696 8.886 8.190 -0.000 0.000 0.480 278 E N 2.144 122.405 120.200 0.102 0.000 2.110 278 E HA -0.123 4.228 4.350 0.003 0.000 0.193 278 E C -0.235 176.174 176.600 -0.318 0.000 0.988 278 E CA 1.084 57.437 56.400 -0.078 0.000 0.804 278 E CB 0.169 29.847 29.700 -0.036 0.000 0.745 278 E HN 0.842 9.202 8.360 -0.000 0.000 0.458 279 H N -0.781 118.341 119.070 0.087 0.000 2.782 279 H HA 0.307 4.865 4.556 0.003 0.000 0.347 279 H C -2.521 172.868 175.328 0.101 0.000 1.038 279 H CA -2.310 53.789 56.048 0.085 0.000 1.255 279 H CB 1.534 31.332 29.762 0.060 0.000 1.623 279 H HN -0.011 8.269 8.280 -0.000 0.000 0.525 280 P HA -0.008 4.412 4.420 -0.000 0.000 0.262 280 P C -0.612 176.802 177.300 0.190 0.000 1.199 280 P CA 0.004 63.239 63.100 0.224 0.000 0.763 280 P CB 0.473 32.321 31.700 0.247 0.000 0.790 281 V N 4.844 124.824 119.914 0.109 0.000 2.347 281 V HA 0.171 4.293 4.120 0.003 0.000 0.280 281 V C 0.460 176.464 176.094 -0.151 0.000 1.021 281 V CA -0.635 61.664 62.300 -0.003 0.000 0.847 281 V CB 1.252 33.055 31.823 -0.033 0.000 0.990 281 V HN 0.584 8.774 8.190 -0.000 0.000 0.444 282 D N 4.921 125.160 120.400 -0.268 0.000 2.256 282 D HA 0.355 4.997 4.640 0.003 0.000 0.250 282 D C -0.639 175.407 176.300 -0.423 0.000 1.093 282 D CA -0.269 53.381 54.000 -0.583 0.000 0.882 282 D CB 2.364 42.757 40.800 -0.679 0.000 1.185 282 D HN 0.230 8.600 8.370 -0.000 0.000 0.437 283 V N 2.070 121.667 119.914 -0.529 0.000 2.448 283 V HA 0.408 4.530 4.120 0.003 0.000 0.295 283 V C 0.224 175.945 176.094 -0.622 0.000 1.025 283 V CA -0.505 61.427 62.300 -0.614 0.000 0.859 283 V CB 1.666 32.966 31.823 -0.872 0.000 0.988 283 V HN 0.722 8.912 8.190 -0.000 0.000 0.431 284 T N 3.464 117.818 114.554 -0.333 0.000 2.916 284 T HA 0.508 4.859 4.350 0.003 0.000 0.292 284 T C -0.454 174.361 174.700 0.192 0.000 1.055 284 T CA -0.494 61.587 62.100 -0.031 0.000 1.009 284 T CB 1.503 70.361 68.868 -0.018 0.000 1.118 284 T HN 0.388 8.628 8.240 -0.000 0.000 0.497 285 F N 2.338 122.377 119.950 0.148 0.000 2.500 285 F HA 0.261 4.790 4.527 0.002 0.000 0.409 285 F C 1.529 177.338 175.800 0.014 0.000 0.982 285 F CA 1.989 60.029 58.000 0.066 0.000 1.163 285 F CB -0.375 38.586 39.000 -0.066 0.000 0.942 285 F HN 0.890 9.190 8.300 -0.000 0.000 0.535 286 G N 2.999 111.851 108.800 0.086 0.000 2.213 286 G HA2 -0.252 3.709 3.960 0.003 0.000 0.236 286 G HA3 -0.252 3.709 3.960 0.003 0.000 0.236 286 G C 0.036 174.930 174.900 -0.010 0.000 0.991 286 G CA -0.024 45.127 45.100 0.085 0.000 0.629 286 G HN 0.619 8.909 8.290 -0.000 0.000 0.517 287 D N 0.324 120.709 120.400 -0.026 0.000 2.357 287 D HA 0.537 5.178 4.640 0.003 0.000 0.242 287 D C 0.755 176.988 176.300 -0.113 0.000 1.153 287 D CA 0.244 54.182 54.000 -0.103 0.000 0.918 287 D CB 0.937 41.637 40.800 -0.167 0.000 1.181 287 D HN 0.333 8.703 8.370 -0.000 0.000 0.435 288 I N 1.465 121.928 120.570 -0.179 0.000 2.378 288 I HA 0.205 4.377 4.170 0.003 0.000 0.291 288 I C -0.309 175.678 176.117 -0.217 0.000 0.992 288 I CA -0.691 60.503 61.300 -0.178 0.000 1.154 288 I CB 1.261 39.129 38.000 -0.220 0.000 1.315 288 I HN 0.010 8.220 8.210 -0.000 0.000 0.448 289 L N 6.371 127.503 121.223 -0.151 0.000 2.276 289 L HA 0.695 5.037 4.340 0.003 0.000 0.286 289 L C 0.067 176.920 176.870 -0.029 0.000 1.061 289 L CA -0.190 54.559 54.840 -0.151 0.000 0.807 289 L CB 1.244 43.144 42.059 -0.266 0.000 1.177 289 L HN 0.674 8.904 8.230 -0.000 0.000 0.429 290 A N 3.316 126.143 122.820 0.012 0.000 2.393 290 A HA 0.932 5.254 4.320 0.003 0.000 0.306 290 A C -0.942 176.864 177.584 0.369 0.000 1.050 290 A CA -0.405 51.737 52.037 0.175 0.000 0.724 290 A CB 1.747 20.650 19.000 -0.161 0.000 1.248 290 A HN 0.725 8.875 8.150 -0.000 0.000 0.424 291 A N 1.806 124.919 122.820 0.488 0.000 2.475 291 A HA 0.886 5.207 4.320 0.003 0.000 0.301 291 A C -0.478 177.353 177.584 0.412 0.000 1.059 291 A CA -0.643 51.625 52.037 0.385 0.000 0.710 291 A CB 1.382 20.514 19.000 0.219 0.000 1.288 291 A HN 1.059 9.209 8.150 -0.000 0.000 0.408 292 R N 1.408 122.089 120.500 0.301 0.000 2.532 292 R HA 0.605 4.947 4.340 0.003 0.000 0.297 292 R C -1.607 174.710 176.300 0.028 0.000 0.984 292 R CA -0.296 55.903 56.100 0.164 0.000 0.884 292 R CB 1.284 31.707 30.300 0.205 0.000 1.182 292 R HN 0.780 9.050 8.270 -0.000 0.000 0.442 293 c N 3.689 122.250 118.600 -0.065 0.000 2.358 293 c HA 0.569 5.141 4.570 0.003 0.000 0.342 293 c C -0.155 173.721 174.090 -0.357 0.000 1.234 293 c CA -0.659 55.499 56.329 -0.286 0.000 1.969 293 c CB 1.220 43.456 42.510 -0.456 0.000 2.346 293 c HN 0.520 8.750 8.230 -0.000 0.000 0.525 294 V N 3.427 123.083 119.914 -0.431 0.000 2.384 294 V HA 0.515 4.636 4.120 0.003 0.000 0.287 294 V C -0.549 175.286 176.094 -0.432 0.000 1.020 294 V CA -0.157 61.967 62.300 -0.294 0.000 0.850 294 V CB 0.736 32.475 31.823 -0.141 0.000 0.987 294 V HN 0.680 8.870 8.190 -0.000 0.000 0.436 295 F N 1.578 121.517 119.950 -0.017 0.000 2.538 295 F HA 0.719 5.248 4.527 0.003 0.000 0.325 295 F C 0.698 176.491 175.800 -0.011 0.000 1.066 295 F CA -0.544 57.445 58.000 -0.017 0.000 0.946 295 F CB 2.242 41.226 39.000 -0.027 0.000 1.199 295 F HN 0.386 8.686 8.300 -0.000 0.000 0.473 296 T N -0.153 114.529 114.554 0.212 0.000 2.918 296 T HA 0.486 4.838 4.350 0.003 0.000 0.286 296 T C 0.727 175.487 174.700 0.100 0.000 1.026 296 T CA -0.552 61.618 62.100 0.117 0.000 1.031 296 T CB 1.714 70.627 68.868 0.075 0.000 1.046 296 T HN 0.804 9.044 8.240 -0.000 0.000 0.479 297 G N 0.322 109.155 108.800 0.056 0.000 3.159 297 G HA2 0.156 4.118 3.960 0.003 0.000 0.232 297 G HA3 0.156 4.118 3.960 0.003 0.000 0.232 297 G C 0.187 175.101 174.900 0.023 0.000 1.116 297 G CA -0.310 44.807 45.100 0.028 0.000 0.767 297 G HN 0.683 8.973 8.290 -0.000 0.000 0.547 298 E N 0.158 120.375 120.200 0.029 0.000 2.376 298 E HA 0.400 4.752 4.350 0.003 0.000 0.266 298 E C 1.217 177.828 176.600 0.019 0.000 1.009 298 E CA 0.708 57.120 56.400 0.020 0.000 0.902 298 E CB 0.745 30.457 29.700 0.019 0.000 0.972 298 E HN 0.238 8.598 8.360 -0.000 0.000 0.439 299 G N 3.389 112.196 108.800 0.012 0.000 2.232 299 G HA2 -0.208 3.753 3.960 0.003 0.000 0.226 299 G HA3 -0.208 3.753 3.960 0.003 0.000 0.226 299 G C 0.154 175.059 174.900 0.008 0.000 0.996 299 G CA -0.521 44.584 45.100 0.009 0.000 0.626 299 G HN 0.372 8.662 8.290 -0.000 0.000 0.509 300 R N 0.516 121.020 120.500 0.008 0.000 2.407 300 R HA 0.603 4.945 4.340 0.003 0.000 0.303 300 R C 1.019 177.320 176.300 0.001 0.000 0.981 300 R CA 0.190 56.292 56.100 0.004 0.000 0.905 300 R CB 1.279 31.578 30.300 -0.001 0.000 1.099 300 R HN 0.169 8.439 8.270 -0.000 0.000 0.459 301 T N 0.838 115.392 114.554 0.000 0.000 3.014 301 T HA 0.048 4.400 4.350 0.003 0.000 0.263 301 T C 0.084 174.784 174.700 -0.000 0.000 1.078 301 T CA 1.130 63.231 62.100 0.000 0.000 1.135 301 T CB 0.428 69.296 68.868 0.000 0.000 0.895 301 T HN 0.556 8.796 8.240 -0.000 0.000 0.480 302 E N 0.075 120.274 120.200 -0.002 0.000 2.393 302 E HA 0.685 5.036 4.350 0.003 0.000 0.265 302 E C -0.913 175.684 176.600 -0.005 0.000 0.941 302 E CA -1.143 55.257 56.400 -0.000 0.000 0.801 302 E CB 1.816 31.518 29.700 0.004 0.000 1.313 302 E HN 0.244 8.604 8.360 -0.000 0.000 0.435 303 A N 0.792 123.614 122.820 0.003 0.000 2.445 303 A HA 0.350 4.672 4.320 0.003 0.000 0.242 303 A C -0.253 177.323 177.584 -0.013 0.000 1.075 303 A CA 0.080 52.117 52.037 -0.001 0.000 0.777 303 A CB 0.179 19.188 19.000 0.016 0.000 1.013 303 A HN 0.437 8.587 8.150 -0.000 0.000 0.493 304 T N 2.323 116.842 114.554 -0.058 0.000 2.792 304 T HA 0.601 4.953 4.350 0.003 0.000 0.280 304 T C -0.315 174.297 174.700 -0.148 0.000 0.990 304 T CA -0.254 61.758 62.100 -0.146 0.000 0.960 304 T CB 0.839 69.604 68.868 -0.171 0.000 0.939 304 T HN 0.922 9.162 8.240 -0.000 0.000 0.439 305 H N 0.789 119.784 119.070 -0.126 0.000 2.824 305 H HA 0.701 5.258 4.556 0.003 0.000 0.345 305 H C -0.390 174.845 175.328 -0.154 0.000 1.252 305 H CA -1.464 54.502 56.048 -0.137 0.000 1.246 305 H CB 0.483 30.192 29.762 -0.087 0.000 1.908 305 H HN 0.282 8.562 8.280 -0.000 0.000 0.601 306 I N 1.248 121.851 120.570 0.054 0.000 2.588 306 I HA 0.433 4.604 4.170 0.003 0.000 0.283 306 I C 1.028 177.217 176.117 0.120 0.000 1.119 306 I CA 1.048 62.344 61.300 -0.006 0.000 1.419 306 I CB 0.075 38.073 38.000 -0.004 0.000 1.394 306 I HN 0.967 9.177 8.210 -0.000 0.000 0.562 307 G N 3.550 112.351 108.800 0.002 0.000 2.430 307 G HA2 0.404 4.366 3.960 0.003 0.000 0.300 307 G HA3 0.404 4.366 3.960 0.003 0.000 0.300 307 G C 0.243 175.185 174.900 0.071 0.000 1.330 307 G CA -0.126 45.009 45.100 0.058 0.000 0.813 307 G HN 0.649 8.939 8.290 -0.000 0.000 0.487 308 G N -1.015 107.833 108.800 0.080 0.000 2.777 308 G HA2 0.389 4.351 3.960 0.003 0.000 0.211 308 G HA3 0.389 4.351 3.960 0.003 0.000 0.211 308 G C 0.989 175.929 174.900 0.066 0.000 1.149 308 G CA 1.703 46.859 45.100 0.094 0.000 0.785 308 G HN 1.269 9.559 8.290 -0.000 0.000 0.536 309 T N -2.054 112.520 114.554 0.033 0.000 2.881 309 T HA 0.402 4.754 4.350 0.003 0.000 0.278 309 T C 1.935 176.574 174.700 -0.101 0.000 0.982 309 T CA 0.600 62.669 62.100 -0.051 0.000 0.989 309 T CB 1.625 70.466 68.868 -0.044 0.000 1.058 309 T HN 0.161 8.401 8.240 -0.000 0.000 0.529 310 S N 0.831 116.414 115.700 -0.196 0.000 2.400 310 S HA -0.150 4.322 4.470 0.003 0.000 0.232 310 S C 2.007 176.559 174.600 -0.079 0.000 1.025 310 S CA 1.331 59.380 58.200 -0.252 0.000 0.993 310 S CB -1.290 61.802 63.200 -0.180 0.000 0.808 310 S HN 0.935 9.245 8.310 -0.000 0.000 0.478 311 S N 1.022 116.694 115.700 -0.047 0.000 2.561 311 S HA 0.121 4.593 4.470 0.003 0.000 0.225 311 S C 0.255 174.808 174.600 -0.078 0.000 0.977 311 S CA -0.009 58.169 58.200 -0.037 0.000 0.926 311 S CB -0.348 62.827 63.200 -0.041 0.000 0.769 311 S HN 0.501 8.811 8.310 -0.000 0.000 0.533 312 D N 1.186 121.552 120.400 -0.057 0.000 2.478 312 D HA 0.529 5.171 4.640 0.003 0.000 0.263 312 D C 0.140 176.401 176.300 -0.065 0.000 1.153 312 D CA -0.326 53.577 54.000 -0.163 0.000 1.038 312 D CB 0.613 41.310 40.800 -0.172 0.000 1.120 312 D HN 0.020 8.390 8.370 -0.000 0.000 0.564 313 E N -0.158 119.877 120.200 -0.275 0.000 2.339 313 E HA 0.573 4.924 4.350 0.003 0.000 0.262 313 E C -0.661 175.629 176.600 -0.517 0.000 0.934 313 E CA -0.700 55.431 56.400 -0.449 0.000 0.802 313 E CB 2.319 31.664 29.700 -0.592 0.000 1.275 313 E HN 0.305 8.665 8.360 -0.000 0.000 0.427 314 M N 0.514 119.782 119.600 -0.553 0.000 2.484 314 M HA 0.317 4.799 4.480 0.003 0.000 0.289 314 M C -1.168 175.139 176.300 0.013 0.000 1.206 314 M CA -0.688 54.447 55.300 -0.276 0.000 0.892 314 M CB 2.558 34.984 32.600 -0.291 0.000 1.712 314 M HN 0.508 8.798 8.290 -0.000 0.000 0.462 315 c N 3.519 122.182 118.600 0.105 0.000 2.409 315 c HA 0.545 5.117 4.570 0.003 0.000 0.297 315 c C -1.055 173.077 174.090 0.070 0.000 1.083 315 c CA -0.444 55.982 56.329 0.161 0.000 1.515 315 c CB -1.040 41.623 42.510 0.254 0.000 1.869 315 c HN 0.893 9.123 8.230 -0.000 0.000 0.413 316 N N 3.563 122.301 118.700 0.063 0.000 2.362 316 N HA 0.660 5.401 4.740 0.003 0.000 0.298 316 N C -1.366 174.137 175.510 -0.012 0.000 1.048 316 N CA -0.601 52.441 53.050 -0.012 0.000 0.858 316 N CB 1.992 40.502 38.487 0.038 0.000 1.218 316 N HN 0.541 8.921 8.380 -0.000 0.000 0.488 317 L N 3.261 124.425 121.223 -0.098 0.000 2.406 317 L HA 0.420 4.762 4.340 0.003 0.000 0.270 317 L C -1.782 175.082 176.870 -0.010 0.000 0.982 317 L CA -0.593 54.265 54.840 0.031 0.000 0.843 317 L CB 0.527 42.640 42.059 0.091 0.000 1.225 317 L HN 0.449 8.679 8.230 -0.000 0.000 0.412 318 Y N 5.934 126.362 120.300 0.213 0.000 2.404 318 Y HA 0.505 5.057 4.550 0.003 0.000 0.344 318 Y C 0.090 176.225 175.900 0.391 0.000 0.970 318 Y CA -0.352 57.927 58.100 0.298 0.000 1.180 318 Y CB 0.899 39.517 38.460 0.264 0.000 1.138 318 Y HN 0.415 8.695 8.280 -0.000 0.000 0.510 319 I N 5.155 126.020 120.570 0.491 0.000 2.330 319 I HA 0.250 4.422 4.170 0.003 0.000 0.286 319 I C -0.240 176.081 176.117 0.339 0.000 1.025 319 I CA -0.353 61.185 61.300 0.397 0.000 1.197 319 I CB 0.820 39.001 38.000 0.302 0.000 1.358 319 I HN 0.566 8.776 8.210 -0.000 0.000 0.467 320 M N 8.289 127.971 119.600 0.138 0.000 2.120 320 M HA 0.326 4.808 4.480 0.003 0.000 0.354 320 M C -1.205 174.824 176.300 -0.452 0.000 1.287 320 M CA -0.254 54.884 55.300 -0.269 0.000 1.103 320 M CB 0.506 32.718 32.600 -0.647 0.000 1.623 320 M HN 0.519 8.809 8.290 -0.000 0.000 0.471 321 Y N 3.893 124.094 120.300 -0.166 0.000 2.602 321 Y HA 0.760 5.312 4.550 0.003 0.000 0.342 321 Y C -1.660 174.462 175.900 0.370 0.000 1.029 321 Y CA -1.596 56.517 58.100 0.022 0.000 1.080 321 Y CB 0.579 39.078 38.460 0.065 0.000 1.284 321 Y HN 0.614 8.894 8.280 -0.000 0.000 0.485 322 Y N 0.276 121.007 120.300 0.717 0.000 2.509 322 Y HA 0.894 5.446 4.550 0.003 0.000 0.341 322 Y C -1.162 175.031 175.900 0.489 0.000 1.038 322 Y CA -2.634 55.763 58.100 0.495 0.000 1.089 322 Y CB 1.717 40.322 38.460 0.242 0.000 1.241 322 Y HN 0.727 9.007 8.280 -0.000 0.000 0.468 323 M N 2.005 121.988 119.600 0.639 0.000 2.550 323 M HA 0.301 4.783 4.480 0.003 0.000 0.292 323 M C -0.948 175.581 176.300 0.381 0.000 1.221 323 M CA -1.088 54.507 55.300 0.492 0.000 0.873 323 M CB 2.358 35.203 32.600 0.409 0.000 1.727 323 M HN 0.625 8.915 8.290 -0.000 0.000 0.459 324 E N 0.939 121.338 120.200 0.331 0.000 2.529 324 E HA -0.008 4.344 4.350 0.003 0.000 0.259 324 E C 0.679 177.311 176.600 0.053 0.000 0.966 324 E CA 0.195 56.687 56.400 0.152 0.000 0.937 324 E CB 0.664 30.452 29.700 0.147 0.000 0.923 324 E HN 0.822 9.182 8.360 -0.000 0.000 0.468 325 A N 4.984 127.788 122.820 -0.026 0.000 1.917 325 A HA -0.283 4.039 4.320 0.003 0.000 0.219 325 A C 1.877 179.414 177.584 -0.079 0.000 1.182 325 A CA 2.279 54.303 52.037 -0.023 0.000 0.633 325 A CB -0.395 18.572 19.000 -0.055 0.000 0.819 325 A HN 0.677 8.827 8.150 -0.000 0.000 0.448 326 K N -2.318 117.928 120.400 -0.256 0.000 2.365 326 K HA -0.080 4.242 4.320 0.003 0.000 0.199 326 K C 1.019 177.406 176.600 -0.355 0.000 1.045 326 K CA 1.376 57.457 56.287 -0.344 0.000 0.962 326 K CB -0.297 31.920 32.500 -0.473 0.000 0.759 326 K HN 0.483 8.733 8.250 -0.000 0.000 0.469 327 Y N 1.054 121.265 120.300 -0.147 0.000 2.458 327 Y HA 0.392 4.943 4.550 0.002 0.000 0.254 327 Y C 1.015 176.932 175.900 0.028 0.000 1.120 327 Y CA -1.081 56.873 58.100 -0.244 0.000 1.282 327 Y CB -0.112 38.066 38.460 -0.470 0.000 1.109 327 Y HN 0.080 8.360 8.280 -0.000 0.000 0.526 328 A N 2.007 124.941 122.820 0.191 0.000 2.498 328 A HA 0.468 4.790 4.320 0.003 0.000 0.239 328 A C -0.075 177.622 177.584 0.189 0.000 1.068 328 A CA -0.178 51.997 52.037 0.229 0.000 0.766 328 A CB -0.418 18.710 19.000 0.214 0.000 1.003 328 A HN 0.449 8.599 8.150 -0.000 0.000 0.497 329 L N -0.019 121.328 121.223 0.207 0.000 2.388 329 L HA 0.677 5.019 4.340 0.003 0.000 0.264 329 L C 0.323 177.279 176.870 0.142 0.000 0.998 329 L CA -0.677 54.217 54.840 0.090 0.000 0.817 329 L CB 2.061 44.137 42.059 0.027 0.000 1.338 329 L HN 0.421 8.651 8.230 -0.000 0.000 0.414 330 S N 1.419 117.047 115.700 -0.120 0.000 2.496 330 S HA 0.312 4.783 4.470 0.003 0.000 0.224 330 S C -0.330 174.374 174.600 0.172 0.000 0.996 330 S CA 0.496 58.701 58.200 0.008 0.000 0.927 330 S CB -0.434 62.780 63.200 0.023 0.000 0.774 330 S HN 0.598 8.908 8.310 -0.000 0.000 0.524 331 F N -0.775 119.368 119.950 0.322 0.000 2.650 331 F HA 0.742 5.271 4.527 0.002 0.000 0.310 331 F C -0.946 174.978 175.800 0.207 0.000 1.112 331 F CA -1.374 56.793 58.000 0.279 0.000 0.986 331 F CB 0.868 39.988 39.000 0.200 0.000 1.285 331 F HN -0.244 8.056 8.300 -0.000 0.000 0.440 332 M N 1.629 121.421 119.600 0.320 0.000 2.550 332 M HA 0.729 5.211 4.480 0.003 0.000 0.292 332 M C -1.323 174.812 176.300 -0.275 0.000 1.221 332 M CA -0.463 54.824 55.300 -0.022 0.000 0.873 332 M CB 3.317 35.824 32.600 -0.155 0.000 1.727 332 M HN 0.789 9.079 8.290 -0.000 0.000 0.459 333 T N 0.388 114.737 114.554 -0.341 0.000 2.912 333 T HA 0.455 4.807 4.350 0.003 0.000 0.299 333 T C -1.856 172.693 174.700 -0.251 0.000 1.052 333 T CA -0.595 61.337 62.100 -0.279 0.000 0.996 333 T CB 1.855 70.682 68.868 -0.068 0.000 1.070 333 T HN 0.802 9.042 8.240 -0.000 0.000 0.465 334 c N 3.509 122.043 118.600 -0.110 0.000 2.344 334 c HA 0.677 5.249 4.570 0.003 0.000 0.326 334 c C 1.287 175.415 174.090 0.063 0.000 1.201 334 c CA -0.279 56.085 56.329 0.058 0.000 1.410 334 c CB -0.649 42.018 42.510 0.262 0.000 2.070 334 c HN 1.081 9.311 8.230 -0.000 0.000 0.445 335 T N 1.319 115.899 114.554 0.043 0.000 3.182 335 T HA 0.349 4.701 4.350 0.003 0.000 0.277 335 T C 0.152 174.876 174.700 0.040 0.000 1.013 335 T CA -0.180 61.942 62.100 0.037 0.000 0.900 335 T CB -0.197 68.683 68.868 0.019 0.000 1.098 335 T HN 0.742 8.982 8.240 -0.000 0.000 0.543 336 K N 0.894 121.329 120.400 0.058 0.000 2.331 336 K HA 0.587 4.909 4.320 0.003 0.000 0.238 336 K C -0.973 175.669 176.600 0.070 0.000 1.058 336 K CA -1.089 55.229 56.287 0.052 0.000 0.871 336 K CB 0.955 33.485 32.500 0.049 0.000 1.292 336 K HN -0.081 8.169 8.250 -0.000 0.000 0.470 337 N N 1.269 120.005 118.700 0.060 0.000 2.750 337 N HA 0.063 4.804 4.740 0.003 0.000 0.253 337 N C 0.143 175.707 175.510 0.091 0.000 1.408 337 N CA -0.286 52.812 53.050 0.081 0.000 0.780 337 N CB 0.847 39.342 38.487 0.013 0.000 1.191 337 N HN 0.450 8.830 8.380 -0.000 0.000 0.511 338 V N -0.302 119.673 119.914 0.101 0.000 2.667 338 V HA 0.348 4.469 4.120 0.003 0.000 0.252 338 V C 0.894 177.038 176.094 0.082 0.000 1.065 338 V CA 1.416 63.760 62.300 0.073 0.000 1.083 338 V CB -0.477 31.377 31.823 0.051 0.000 0.692 338 V HN 0.473 8.663 8.190 -0.000 0.000 0.468 339 A N 0.621 123.521 122.820 0.132 0.000 3.105 339 A HA 0.736 5.057 4.320 0.003 0.000 0.336 339 A C -1.569 176.175 177.584 0.267 0.000 1.042 339 A CA -1.001 51.119 52.037 0.137 0.000 0.851 339 A CB 0.586 19.625 19.000 0.065 0.000 1.068 339 A HN 0.405 8.555 8.150 -0.000 0.000 0.477 340 P HA -0.062 4.358 4.420 -0.000 0.000 0.219 340 P C 0.444 177.906 177.300 0.270 0.000 1.150 340 P CA 1.063 64.295 63.100 0.220 0.000 0.814 340 P CB 0.363 32.111 31.700 0.079 0.000 0.787 341 D N -1.525 118.987 120.400 0.187 0.000 2.363 341 D HA -0.014 4.627 4.640 0.003 0.000 0.220 341 D C 1.653 178.060 176.300 0.177 0.000 0.994 341 D CA 0.427 54.519 54.000 0.153 0.000 0.890 341 D CB -0.488 40.366 40.800 0.090 0.000 0.906 341 D HN 0.163 8.533 8.370 -0.000 0.000 0.530 342 M N -0.652 119.073 119.600 0.208 0.000 2.296 342 M HA -0.109 4.373 4.480 0.003 0.000 0.265 342 M C 0.829 177.287 176.300 0.263 0.000 1.064 342 M CA 1.031 56.423 55.300 0.154 0.000 1.109 342 M CB -0.072 32.530 32.600 0.003 0.000 1.396 342 M HN -0.149 8.141 8.290 -0.000 0.000 0.430 343 F N 0.426 120.515 119.950 0.232 0.000 2.722 343 F HA -0.007 4.521 4.527 0.003 0.000 0.298 343 F C 2.068 177.870 175.800 0.004 0.000 1.175 343 F CA 0.742 58.839 58.000 0.162 0.000 1.462 343 F CB -0.460 38.603 39.000 0.104 0.000 1.111 343 F HN 0.139 8.439 8.300 -0.000 0.000 0.592 344 R N -0.499 120.100 120.500 0.164 0.000 2.148 344 R HA -0.086 4.256 4.340 0.003 0.000 0.227 344 R C 1.823 178.106 176.300 -0.028 0.000 1.103 344 R CA 1.709 57.845 56.100 0.059 0.000 0.983 344 R CB -0.495 29.843 30.300 0.063 0.000 0.874 344 R HN 0.293 8.563 8.270 -0.000 0.000 0.451 345 T N -2.199 112.337 114.554 -0.030 0.000 3.134 345 T HA 0.251 4.603 4.350 0.003 0.000 0.260 345 T C 0.638 174.970 174.700 -0.613 0.000 1.027 345 T CA -0.391 61.631 62.100 -0.130 0.000 0.913 345 T CB -0.087 68.833 68.868 0.086 0.000 1.046 345 T HN 0.051 8.291 8.240 -0.000 0.000 0.553 346 I N 3.231 123.265 120.570 -0.894 0.000 2.752 346 I HA 0.185 4.357 4.170 0.003 0.000 0.289 346 I C -2.043 173.479 176.117 -0.990 0.000 1.197 346 I CA -2.093 58.224 61.300 -1.637 0.000 1.432 346 I CB 0.843 38.191 38.000 -1.087 0.000 1.359 346 I HN 0.078 8.288 8.210 -0.000 0.000 0.571 347 P HA -0.014 4.406 4.420 -0.000 0.000 0.266 347 P C 0.013 177.136 177.300 -0.294 0.000 1.193 347 P CA 0.008 62.812 63.100 -0.494 0.000 0.770 347 P CB 0.730 32.218 31.700 -0.353 0.000 0.836 348 A N 3.279 125.990 122.820 -0.181 0.000 1.972 348 A HA -0.222 4.099 4.320 0.003 0.000 0.219 348 A C 1.865 179.405 177.584 -0.072 0.000 1.169 348 A CA 1.757 53.724 52.037 -0.116 0.000 0.635 348 A CB -1.090 17.859 19.000 -0.085 0.000 0.810 348 A HN 0.743 8.893 8.150 -0.000 0.000 0.446 349 E N 0.109 120.281 120.200 -0.046 0.000 2.171 349 E HA -0.126 4.226 4.350 0.003 0.000 0.197 349 E C 1.780 178.382 176.600 0.002 0.000 0.997 349 E CA 1.169 57.563 56.400 -0.010 0.000 0.810 349 E CB -0.496 29.216 29.700 0.020 0.000 0.738 349 E HN 0.506 8.866 8.360 -0.000 0.000 0.467 350 A N 1.119 123.948 122.820 0.014 0.000 2.121 350 A HA -0.090 4.231 4.320 0.003 0.000 0.218 350 A C 1.636 179.213 177.584 -0.011 0.000 1.154 350 A CA 1.120 53.180 52.037 0.038 0.000 0.679 350 A CB -0.197 18.844 19.000 0.069 0.000 0.795 350 A HN 0.200 8.350 8.150 -0.000 0.000 0.458 351 N N -0.491 118.188 118.700 -0.034 0.000 2.294 351 N HA 0.178 4.920 4.740 0.003 0.000 0.186 351 N C 0.272 175.762 175.510 -0.035 0.000 1.107 351 N CA 0.328 53.355 53.050 -0.038 0.000 0.884 351 N CB 0.332 38.792 38.487 -0.045 0.000 1.030 351 N HN 0.672 9.052 8.380 -0.000 0.000 0.482 352 I N 0.013 120.564 120.570 -0.032 0.000 2.460 352 I HA 0.532 4.703 4.170 0.003 0.000 0.298 352 I C -2.476 173.623 176.117 -0.030 0.000 0.989 352 I CA -2.275 59.008 61.300 -0.029 0.000 1.173 352 I CB 1.577 39.562 38.000 -0.026 0.000 1.338 352 I HN -0.268 7.942 8.210 -0.000 0.000 0.456 353 P HA 0.343 4.763 4.420 -0.000 0.000 0.274 353 P C -0.811 176.472 177.300 -0.028 0.000 1.231 353 P CA -0.111 62.971 63.100 -0.031 0.000 0.790 353 P CB 2.124 33.809 31.700 -0.025 0.000 0.951 354 I N 0.000 120.550 120.570 -0.033 0.000 2.984 354 I HA 0.000 4.172 4.170 0.003 0.000 0.288 354 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 354 I CB 0.000 37.974 38.000 -0.044 0.000 1.214 354 I HN 0.000 8.210 8.210 -0.000 0.000 0.494