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 3g3d_1_A DATA FIRST_RESID 35 DATA SEQUENCE ELSFGARAEL PRIHPVASKL LRLMQKKETN LCLSADVSLA RELLQLADAL DATA SEQUENCE GPSICMLKTH VDILNDFTLD VMKELITLAK CHEFLIFEDR KFADIGNTVK DATA SEQUENCE KQYEGGIFKI ASWADLVNAH VVPGSGVVKG LQEVGLPLHR GCLLIAEMSS DATA SEQUENCE TGSLATGDYT RAAVRMAEEH SEFVVGFISG SRVSMKPEFL HLTPGVQLEA DATA SEQUENCE GGDNLGQQYN SPQEVIGKRG SDIIIVGRGI ISAADRLEAA EMYRKAAWEA DATA SEQUENCE YLSRLG 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 35 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 35 E C 0.000 176.573 176.600 -0.045 0.000 1.382 35 E CA 0.000 56.379 56.400 -0.035 0.000 0.976 35 E CB 0.000 29.658 29.700 -0.070 0.000 0.812 36 L N 2.579 123.793 121.223 -0.015 0.000 2.344 36 L HA 0.619 4.956 4.340 -0.005 0.000 0.272 36 L C 0.611 177.471 176.870 -0.017 0.000 1.035 36 L CA -0.988 53.847 54.840 -0.007 0.000 0.807 36 L CB 1.684 43.761 42.059 0.031 0.000 1.237 36 L HN 0.679 8.909 8.230 -0.000 0.000 0.442 37 S N 0.328 116.021 115.700 -0.010 0.000 2.584 37 S HA 0.133 4.600 4.470 -0.005 0.000 0.270 37 S C 1.054 175.721 174.600 0.113 0.000 1.346 37 S CA -0.356 57.858 58.200 0.023 0.000 1.018 37 S CB 0.362 63.606 63.200 0.074 0.000 0.899 37 S HN 0.384 8.694 8.310 -0.000 0.000 0.542 38 F N 1.782 121.869 119.950 0.229 0.000 2.091 38 F HA 0.043 4.567 4.527 -0.006 0.000 0.299 38 F C 2.776 178.642 175.800 0.110 0.000 1.103 38 F CA 1.348 59.412 58.000 0.107 0.000 1.228 38 F CB -1.620 37.400 39.000 0.034 0.000 0.984 38 F HN 0.800 9.100 8.300 -0.000 0.000 0.477 39 G N -0.577 108.414 108.800 0.319 0.000 2.469 39 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.219 39 G HA3 -0.217 3.740 3.960 -0.005 0.000 0.219 39 G C 1.893 176.879 174.900 0.144 0.000 1.150 39 G CA 1.182 46.405 45.100 0.205 0.000 0.763 39 G HN 0.518 8.808 8.290 -0.000 0.000 0.561 40 A N 0.565 123.462 122.820 0.129 0.000 1.897 40 A HA 0.092 4.409 4.320 -0.005 0.000 0.215 40 A C 2.427 180.064 177.584 0.089 0.000 1.181 40 A CA 1.426 53.517 52.037 0.089 0.000 0.620 40 A CB -0.330 18.709 19.000 0.065 0.000 0.821 40 A HN 0.343 8.493 8.150 -0.000 0.000 0.443 41 R N -0.294 120.278 120.500 0.120 0.000 2.152 41 R HA -0.062 4.275 4.340 -0.005 0.000 0.232 41 R C 2.229 178.585 176.300 0.093 0.000 1.117 41 R CA 0.999 57.166 56.100 0.112 0.000 0.981 41 R CB -0.425 29.976 30.300 0.168 0.000 0.870 41 R HN 0.501 8.771 8.270 -0.000 0.000 0.451 42 A N 1.023 123.907 122.820 0.108 0.000 2.125 42 A HA -0.159 4.158 4.320 -0.005 0.000 0.219 42 A C 1.410 179.026 177.584 0.053 0.000 1.156 42 A CA 1.235 53.320 52.037 0.079 0.000 0.671 42 A CB -0.103 18.950 19.000 0.088 0.000 0.794 42 A HN 0.327 8.477 8.150 -0.000 0.000 0.459 43 E N -0.375 119.855 120.200 0.051 0.000 2.481 43 E HA 0.186 4.533 4.350 -0.005 0.000 0.198 43 E C -0.405 176.208 176.600 0.021 0.000 1.027 43 E CA -0.520 55.901 56.400 0.034 0.000 0.900 43 E CB 0.180 29.902 29.700 0.037 0.000 0.993 43 E HN 0.356 8.716 8.360 -0.000 0.000 0.482 44 L N 1.911 123.146 121.223 0.019 0.000 2.543 44 L HA -0.048 4.289 4.340 -0.005 0.000 0.285 44 L C -1.297 175.566 176.870 -0.011 0.000 1.236 44 L CA -0.165 54.677 54.840 0.002 0.000 0.871 44 L CB -0.057 41.998 42.059 -0.007 0.000 1.121 44 L HN -0.092 8.138 8.230 -0.000 0.000 0.501 45 P HA -0.110 4.310 4.420 -0.000 0.000 0.216 45 P C 0.667 177.946 177.300 -0.035 0.000 1.150 45 P CA 1.552 64.639 63.100 -0.021 0.000 0.837 45 P CB 0.186 31.875 31.700 -0.019 0.000 0.786 46 R N -1.187 119.282 120.500 -0.051 0.000 2.702 46 R HA 0.248 4.585 4.340 -0.005 0.000 0.314 46 R C 0.018 176.264 176.300 -0.091 0.000 1.152 46 R CA -0.566 55.489 56.100 -0.074 0.000 1.097 46 R CB -0.447 29.796 30.300 -0.096 0.000 1.343 46 R HN 0.176 8.446 8.270 -0.000 0.000 0.575 47 I N 0.871 121.406 120.570 -0.058 0.000 2.428 47 I HA 0.014 4.181 4.170 -0.005 0.000 0.289 47 I C 0.361 176.477 176.117 -0.001 0.000 1.019 47 I CA -0.539 60.740 61.300 -0.034 0.000 1.351 47 I CB 0.413 38.407 38.000 -0.009 0.000 1.412 47 I HN 0.162 8.372 8.210 -0.000 0.000 0.513 48 H N 9.295 128.325 119.070 -0.066 0.000 2.652 48 H HA 0.231 4.784 4.556 -0.005 0.000 0.349 48 H C -1.941 173.374 175.328 -0.021 0.000 1.099 48 H CA -1.740 54.283 56.048 -0.042 0.000 1.417 48 H CB 1.506 31.239 29.762 -0.049 0.000 1.457 48 H HN 0.433 8.713 8.280 -0.000 0.000 0.568 49 P HA -0.171 4.249 4.420 -0.000 0.000 0.219 49 P C 1.538 178.935 177.300 0.161 0.000 1.146 49 P CA 0.638 63.748 63.100 0.017 0.000 0.808 49 P CB 0.385 32.057 31.700 -0.047 0.000 0.779 50 V N 0.029 120.180 119.914 0.395 0.000 2.488 50 V HA -0.086 4.031 4.120 -0.005 0.000 0.246 50 V C 2.465 178.610 176.094 0.085 0.000 1.046 50 V CA 1.873 64.296 62.300 0.204 0.000 1.053 50 V CB -1.155 30.752 31.823 0.141 0.000 0.679 50 V HN 0.046 8.236 8.190 -0.000 0.000 0.458 51 A N -0.984 121.889 122.820 0.088 0.000 1.902 51 A HA -0.215 4.102 4.320 -0.005 0.000 0.217 51 A C 2.541 180.142 177.584 0.029 0.000 1.181 51 A CA 2.296 54.341 52.037 0.013 0.000 0.623 51 A CB -0.924 18.079 19.000 0.006 0.000 0.818 51 A HN 0.545 8.695 8.150 -0.000 0.000 0.443 52 S N -0.514 115.219 115.700 0.055 0.000 2.368 52 S HA -0.202 4.265 4.470 -0.005 0.000 0.225 52 S C 2.133 176.758 174.600 0.040 0.000 1.030 52 S CA 1.905 60.132 58.200 0.046 0.000 0.999 52 S CB -0.322 62.903 63.200 0.041 0.000 0.844 52 S HN 0.629 8.939 8.310 -0.000 0.000 0.459 53 K N 0.106 120.532 120.400 0.042 0.000 2.057 53 K HA -0.125 4.192 4.320 -0.005 0.000 0.207 53 K C 2.160 178.772 176.600 0.021 0.000 1.049 53 K CA 1.556 57.863 56.287 0.034 0.000 0.931 53 K CB -0.372 32.152 32.500 0.040 0.000 0.714 53 K HN 0.374 8.624 8.250 -0.000 0.000 0.440 54 L N 1.558 122.785 121.223 0.007 0.000 1.994 54 L HA -0.129 4.208 4.340 -0.005 0.000 0.208 54 L C 2.036 178.879 176.870 -0.045 0.000 1.071 54 L CA 1.574 56.401 54.840 -0.023 0.000 0.745 54 L CB -0.529 41.498 42.059 -0.053 0.000 0.892 54 L HN 0.235 8.465 8.230 -0.000 0.000 0.431 55 L N -0.735 120.467 121.223 -0.035 0.000 2.079 55 L HA -0.230 4.107 4.340 -0.005 0.000 0.210 55 L C 2.803 179.706 176.870 0.055 0.000 1.081 55 L CA 1.378 56.208 54.840 -0.017 0.000 0.752 55 L CB -0.522 41.573 42.059 0.061 0.000 0.896 55 L HN 0.263 8.493 8.230 -0.000 0.000 0.433 56 R N 0.010 120.544 120.500 0.057 0.000 2.073 56 R HA -0.176 4.160 4.340 -0.005 0.000 0.234 56 R C 2.276 178.611 176.300 0.059 0.000 1.134 56 R CA 1.761 57.904 56.100 0.071 0.000 0.952 56 R CB -0.546 29.786 30.300 0.053 0.000 0.850 56 R HN 0.332 8.602 8.270 -0.000 0.000 0.433 57 L N -1.691 119.551 121.223 0.031 0.000 2.217 57 L HA 0.010 4.347 4.340 -0.005 0.000 0.211 57 L C 2.093 178.966 176.870 0.006 0.000 1.107 57 L CA 1.512 56.365 54.840 0.022 0.000 0.783 57 L CB -0.549 41.525 42.059 0.024 0.000 0.919 57 L HN 0.012 8.242 8.230 -0.000 0.000 0.442 58 M N -0.414 119.178 119.600 -0.013 0.000 2.086 58 M HA -0.191 4.286 4.480 -0.005 0.000 0.261 58 M C 2.482 178.847 176.300 0.108 0.000 1.067 58 M CA 2.006 57.287 55.300 -0.031 0.000 1.116 58 M CB -0.394 32.055 32.600 -0.251 0.000 1.348 58 M HN 0.383 8.673 8.290 -0.000 0.000 0.407 59 Q N 0.969 120.913 119.800 0.240 0.000 2.030 59 Q HA -0.214 4.123 4.340 -0.005 0.000 0.204 59 Q C 1.896 177.984 176.000 0.147 0.000 0.986 59 Q CA 2.023 58.037 55.803 0.352 0.000 0.843 59 Q CB -0.253 28.676 28.738 0.320 0.000 0.904 59 Q HN 0.371 8.641 8.270 -0.000 0.000 0.420 60 K N -0.190 120.256 120.400 0.076 0.000 2.032 60 K HA -0.186 4.131 4.320 -0.005 0.000 0.209 60 K C 1.545 178.115 176.600 -0.050 0.000 1.048 60 K CA 1.700 58.001 56.287 0.024 0.000 0.927 60 K CB -0.031 32.484 32.500 0.026 0.000 0.712 60 K HN 0.091 8.341 8.250 -0.000 0.000 0.441 61 K N 0.262 120.603 120.400 -0.098 0.000 2.393 61 K HA 0.031 4.348 4.320 -0.005 0.000 0.193 61 K C -0.518 175.868 176.600 -0.358 0.000 1.026 61 K CA 0.275 56.468 56.287 -0.156 0.000 1.064 61 K CB 0.463 32.911 32.500 -0.087 0.000 0.833 61 K HN 0.203 8.453 8.250 -0.000 0.000 0.521 62 E N 1.067 120.883 120.200 -0.641 0.000 2.271 62 E HA -0.194 4.152 4.350 -0.005 0.000 0.223 62 E C -0.653 175.257 176.600 -1.151 0.000 1.223 62 E CA 0.534 55.962 56.400 -1.620 0.000 0.704 62 E CB -1.486 27.432 29.700 -1.303 0.000 1.194 62 E HN 0.149 8.509 8.360 -0.000 0.000 0.375 63 T N 0.714 114.945 114.554 -0.538 0.000 2.921 63 T HA 0.406 4.753 4.350 -0.005 0.000 0.297 63 T C -0.500 174.270 174.700 0.115 0.000 1.013 63 T CA -0.682 61.366 62.100 -0.086 0.000 0.990 63 T CB 0.814 69.638 68.868 -0.073 0.000 1.023 63 T HN 0.252 8.492 8.240 -0.000 0.000 0.447 64 N N 4.613 123.466 118.700 0.256 0.000 2.480 64 N HA 0.220 4.957 4.740 -0.005 0.000 0.281 64 N C -0.703 174.865 175.510 0.096 0.000 1.381 64 N CA -0.519 52.594 53.050 0.104 0.000 0.903 64 N CB 0.219 38.778 38.487 0.120 0.000 1.274 64 N HN 0.402 8.782 8.380 -0.000 0.000 0.505 65 L N 0.450 121.720 121.223 0.078 0.000 2.296 65 L HA 0.536 4.873 4.340 -0.005 0.000 0.286 65 L C -0.777 176.100 176.870 0.012 0.000 1.023 65 L CA -0.940 53.937 54.840 0.061 0.000 0.812 65 L CB 1.311 43.412 42.059 0.070 0.000 1.223 65 L HN 0.294 8.524 8.230 -0.000 0.000 0.421 66 C N 6.616 125.922 119.300 0.011 0.000 2.295 66 C HA 0.626 5.083 4.460 -0.005 0.000 0.331 66 C C -0.185 174.778 174.990 -0.046 0.000 1.280 66 C CA -0.988 58.030 59.018 0.001 0.000 1.746 66 C CB 0.074 27.852 27.740 0.063 0.000 2.328 66 C HN 0.881 9.111 8.230 -0.000 0.000 0.521 67 L N 6.009 127.175 121.223 -0.094 0.000 2.290 67 L HA 0.448 4.785 4.340 -0.005 0.000 0.284 67 L C 0.395 177.193 176.870 -0.119 0.000 1.078 67 L CA 0.798 55.562 54.840 -0.128 0.000 0.815 67 L CB 1.412 43.368 42.059 -0.171 0.000 1.162 67 L HN 0.750 8.980 8.230 -0.000 0.000 0.435 68 S N 4.620 120.251 115.700 -0.115 0.000 2.473 68 S HA 0.583 5.050 4.470 -0.005 0.000 0.312 68 S C 0.366 174.907 174.600 -0.098 0.000 1.087 68 S CA -0.382 57.749 58.200 -0.115 0.000 1.077 68 S CB -0.143 63.006 63.200 -0.085 0.000 1.065 68 S HN 0.885 9.195 8.310 -0.000 0.000 0.510 69 A N 4.495 127.251 122.820 -0.107 0.000 3.037 69 A HA 0.257 4.573 4.320 -0.005 0.000 0.272 69 A C -0.115 177.441 177.584 -0.047 0.000 1.723 69 A CA -0.478 51.509 52.037 -0.082 0.000 1.413 69 A CB -0.295 18.650 19.000 -0.091 0.000 1.112 69 A HN 0.704 8.854 8.150 -0.000 0.000 0.606 70 D N 1.869 122.255 120.400 -0.023 0.000 2.558 70 D HA 0.320 4.957 4.640 -0.005 0.000 0.221 70 D C 0.156 176.456 176.300 -0.001 0.000 1.143 70 D CA 0.434 54.445 54.000 0.018 0.000 1.010 70 D CB 0.522 41.346 40.800 0.039 0.000 1.068 70 D HN 0.373 8.743 8.370 -0.000 0.000 0.511 71 V N -1.449 118.462 119.914 -0.005 0.000 3.102 71 V HA 0.599 4.716 4.120 -0.005 0.000 0.312 71 V C 0.926 177.020 176.094 -0.001 0.000 1.135 71 V CA -0.872 61.424 62.300 -0.008 0.000 1.022 71 V CB 1.936 33.750 31.823 -0.016 0.000 1.056 71 V HN 0.152 8.342 8.190 -0.000 0.000 0.436 72 S N 1.370 117.071 115.700 0.001 0.000 2.511 72 S HA 0.423 4.890 4.470 -0.005 0.000 0.214 72 S C 0.294 174.903 174.600 0.015 0.000 0.997 72 S CA -0.132 58.074 58.200 0.010 0.000 0.908 72 S CB -0.377 62.829 63.200 0.009 0.000 0.803 72 S HN 0.622 8.932 8.310 -0.000 0.000 0.504 73 L N 1.541 122.767 121.223 0.006 0.000 2.307 73 L HA 0.636 4.973 4.340 -0.005 0.000 0.284 73 L C 1.414 178.282 176.870 -0.004 0.000 1.023 73 L CA -0.561 54.281 54.840 0.004 0.000 0.810 73 L CB 1.450 43.509 42.059 -0.000 0.000 1.231 73 L HN 0.172 8.402 8.230 -0.000 0.000 0.423 74 A N 3.455 126.271 122.820 -0.006 0.000 1.908 74 A HA -0.209 4.108 4.320 -0.005 0.000 0.218 74 A C 2.281 179.850 177.584 -0.025 0.000 1.181 74 A CA 1.902 53.924 52.037 -0.024 0.000 0.627 74 A CB -0.448 18.527 19.000 -0.041 0.000 0.818 74 A HN 0.924 9.074 8.150 -0.000 0.000 0.445 75 R N -0.210 120.279 120.500 -0.019 0.000 2.091 75 R HA -0.194 4.143 4.340 -0.005 0.000 0.238 75 R C 2.186 178.478 176.300 -0.014 0.000 1.136 75 R CA 1.927 58.017 56.100 -0.015 0.000 0.959 75 R CB -0.316 29.977 30.300 -0.012 0.000 0.856 75 R HN 0.714 8.984 8.270 -0.000 0.000 0.437 76 E N 0.095 120.287 120.200 -0.014 0.000 2.072 76 E HA -0.206 4.141 4.350 -0.005 0.000 0.191 76 E C 1.992 178.579 176.600 -0.022 0.000 0.985 76 E CA 1.111 57.502 56.400 -0.016 0.000 0.801 76 E CB -0.108 29.583 29.700 -0.015 0.000 0.750 76 E HN 0.312 8.672 8.360 -0.000 0.000 0.452 77 L N 1.043 122.252 121.223 -0.024 0.000 2.013 77 L HA -0.204 4.133 4.340 -0.005 0.000 0.212 77 L C 2.116 178.973 176.870 -0.022 0.000 1.073 77 L CA 1.749 56.571 54.840 -0.031 0.000 0.753 77 L CB -0.484 41.555 42.059 -0.034 0.000 0.890 77 L HN 0.232 8.462 8.230 -0.000 0.000 0.432 78 L N -1.117 120.098 121.223 -0.013 0.000 2.093 78 L HA -0.186 4.150 4.340 -0.005 0.000 0.208 78 L C 2.646 179.526 176.870 0.015 0.000 1.085 78 L CA 1.264 56.109 54.840 0.008 0.000 0.755 78 L CB -0.538 41.521 42.059 0.000 0.000 0.904 78 L HN 0.425 8.655 8.230 -0.000 0.000 0.435 79 Q N -0.275 119.525 119.800 -0.001 0.000 2.172 79 Q HA -0.112 4.225 4.340 -0.005 0.000 0.200 79 Q C 2.374 178.363 176.000 -0.018 0.000 0.964 79 Q CA 0.977 56.779 55.803 -0.002 0.000 0.855 79 Q CB 0.040 28.774 28.738 -0.007 0.000 0.918 79 Q HN 0.512 8.782 8.270 -0.000 0.000 0.444 80 L N 0.062 121.265 121.223 -0.033 0.000 2.027 80 L HA -0.166 4.171 4.340 -0.005 0.000 0.206 80 L C 2.502 179.319 176.870 -0.088 0.000 1.074 80 L CA 1.034 55.837 54.840 -0.062 0.000 0.745 80 L CB -0.559 41.458 42.059 -0.070 0.000 0.898 80 L HN 0.207 8.437 8.230 -0.000 0.000 0.433 81 A N -0.330 122.452 122.820 -0.063 0.000 1.933 81 A HA -0.281 4.036 4.320 -0.005 0.000 0.218 81 A C 1.973 179.568 177.584 0.018 0.000 1.175 81 A CA 2.149 54.147 52.037 -0.067 0.000 0.628 81 A CB -0.569 18.482 19.000 0.085 0.000 0.814 81 A HN 0.429 8.579 8.150 -0.000 0.000 0.444 82 D N -0.370 120.066 120.400 0.059 0.000 2.097 82 D HA 0.026 4.663 4.640 -0.005 0.000 0.197 82 D C 2.045 178.259 176.300 -0.143 0.000 0.984 82 D CA 1.584 55.629 54.000 0.074 0.000 0.826 82 D CB -0.209 40.667 40.800 0.128 0.000 0.973 82 D HN 0.308 8.678 8.370 -0.000 0.000 0.460 83 A N -0.468 122.291 122.820 -0.101 0.000 1.930 83 A HA 0.030 4.346 4.320 -0.005 0.000 0.215 83 A C 1.966 179.453 177.584 -0.161 0.000 1.176 83 A CA 0.712 52.682 52.037 -0.112 0.000 0.632 83 A CB -0.348 18.614 19.000 -0.063 0.000 0.819 83 A HN 0.289 8.439 8.150 -0.000 0.000 0.445 84 L N -0.408 120.712 121.223 -0.171 0.000 2.567 84 L HA 0.197 4.534 4.340 -0.005 0.000 0.225 84 L C 2.440 179.172 176.870 -0.230 0.000 1.119 84 L CA 0.937 55.672 54.840 -0.175 0.000 0.871 84 L CB -0.585 41.378 42.059 -0.159 0.000 1.036 84 L HN 0.362 8.592 8.230 -0.000 0.000 0.459 85 G N 0.959 109.577 108.800 -0.302 0.000 2.513 85 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.219 85 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.219 85 G C -0.612 174.271 174.900 -0.028 0.000 1.160 85 G CA 0.780 45.773 45.100 -0.178 0.000 0.767 85 G HN 0.291 8.581 8.290 -0.000 0.000 0.571 86 P HA 0.019 4.439 4.420 -0.000 0.000 0.221 86 P C 1.780 179.064 177.300 -0.025 0.000 1.145 86 P CA 1.270 64.362 63.100 -0.013 0.000 0.795 86 P CB 0.125 31.801 31.700 -0.040 0.000 0.775 87 S N -0.978 114.685 115.700 -0.061 0.000 2.535 87 S HA 0.161 4.627 4.470 -0.005 0.000 0.214 87 S C 0.984 175.556 174.600 -0.048 0.000 0.980 87 S CA -0.179 57.989 58.200 -0.054 0.000 0.907 87 S CB -0.431 62.738 63.200 -0.052 0.000 0.790 87 S HN 0.181 8.491 8.310 -0.000 0.000 0.510 88 I N -1.473 119.063 120.570 -0.056 0.000 2.646 88 I HA 0.471 4.638 4.170 -0.005 0.000 0.299 88 I C 0.976 177.100 176.117 0.012 0.000 1.036 88 I CA -1.227 60.036 61.300 -0.062 0.000 1.074 88 I CB 1.642 39.535 38.000 -0.179 0.000 1.258 88 I HN 0.105 8.315 8.210 -0.000 0.000 0.430 89 C N 2.995 122.305 119.300 0.017 0.000 2.673 89 C HA 0.515 4.972 4.460 -0.005 0.000 0.264 89 C C 0.476 175.541 174.990 0.125 0.000 1.304 89 C CA -0.250 58.803 59.018 0.058 0.000 1.727 89 C CB -0.626 27.103 27.740 -0.018 0.000 1.932 89 C HN 0.872 9.102 8.230 -0.000 0.000 0.563 90 M N 0.552 120.200 119.600 0.080 0.000 2.426 90 M HA 0.535 5.012 4.480 -0.005 0.000 0.289 90 M C -2.421 173.875 176.300 -0.006 0.000 1.168 90 M CA -0.572 54.805 55.300 0.127 0.000 0.933 90 M CB 1.981 34.651 32.600 0.116 0.000 1.750 90 M HN 0.243 8.533 8.290 -0.000 0.000 0.494 91 L N 4.156 125.400 121.223 0.035 0.000 2.325 91 L HA 0.603 4.940 4.340 -0.005 0.000 0.281 91 L C -1.196 175.698 176.870 0.041 0.000 1.004 91 L CA -0.293 54.492 54.840 -0.092 0.000 0.823 91 L CB 1.350 43.270 42.059 -0.232 0.000 1.236 91 L HN 0.718 8.948 8.230 -0.000 0.000 0.415 92 K N 3.299 123.664 120.400 -0.059 0.000 2.206 92 K HA 0.589 4.906 4.320 -0.005 0.000 0.264 92 K C -0.826 175.626 176.600 -0.247 0.000 0.967 92 K CA -0.431 55.736 56.287 -0.200 0.000 0.844 92 K CB 1.323 33.625 32.500 -0.330 0.000 1.099 92 K HN 0.702 8.952 8.250 -0.000 0.000 0.441 93 T N 0.450 114.842 114.554 -0.270 0.000 2.912 93 T HA 0.356 4.703 4.350 -0.005 0.000 0.288 93 T C -0.594 173.877 174.700 -0.382 0.000 1.030 93 T CA -0.796 61.182 62.100 -0.203 0.000 1.020 93 T CB 1.137 69.988 68.868 -0.028 0.000 1.056 93 T HN 0.643 8.883 8.240 -0.000 0.000 0.480 94 H N 1.087 120.075 119.070 -0.137 0.000 2.697 94 H HA 0.386 4.939 4.556 -0.006 0.000 0.270 94 H C 1.393 176.608 175.328 -0.188 0.000 1.188 94 H CA -0.833 55.118 56.048 -0.161 0.000 1.322 94 H CB 0.924 30.600 29.762 -0.142 0.000 1.405 94 H HN 0.584 8.864 8.280 -0.000 0.000 0.502 95 V N -0.400 119.410 119.914 -0.174 0.000 2.913 95 V HA -0.184 3.933 4.120 -0.005 0.000 0.260 95 V C 1.558 177.318 176.094 -0.555 0.000 1.098 95 V CA 1.565 63.633 62.300 -0.387 0.000 1.121 95 V CB -0.129 31.323 31.823 -0.618 0.000 0.714 95 V HN 0.689 8.879 8.190 -0.000 0.000 0.487 96 D N -0.196 119.939 120.400 -0.442 0.000 2.352 96 D HA 0.009 4.646 4.640 -0.005 0.000 0.232 96 D C 1.447 177.740 176.300 -0.012 0.000 1.055 96 D CA 0.457 54.363 54.000 -0.157 0.000 0.891 96 D CB -0.059 40.742 40.800 0.001 0.000 0.897 96 D HN 0.558 8.928 8.370 -0.000 0.000 0.529 97 I N -0.470 120.080 120.570 -0.034 0.000 4.288 97 I HA 0.109 4.276 4.170 -0.005 0.000 0.331 97 I C 0.606 176.738 176.117 0.024 0.000 1.322 97 I CA -0.235 61.061 61.300 -0.007 0.000 1.149 97 I CB 0.953 38.935 38.000 -0.029 0.000 1.112 97 I HN -0.122 8.088 8.210 -0.000 0.000 0.403 98 L N 2.431 123.677 121.223 0.038 0.000 2.385 98 L HA 0.119 4.456 4.340 -0.005 0.000 0.281 98 L C 1.041 177.986 176.870 0.125 0.000 1.106 98 L CA -0.094 54.794 54.840 0.080 0.000 0.856 98 L CB 0.412 42.541 42.059 0.117 0.000 1.186 98 L HN 0.238 8.468 8.230 -0.000 0.000 0.453 99 N N 2.005 120.757 118.700 0.087 0.000 2.289 99 N HA -0.127 4.610 4.740 -0.005 0.000 0.184 99 N C 0.423 175.997 175.510 0.107 0.000 1.016 99 N CA 0.987 54.089 53.050 0.087 0.000 0.872 99 N CB 0.068 38.587 38.487 0.052 0.000 0.973 99 N HN 0.646 9.026 8.380 -0.000 0.000 0.433 100 D N -1.077 119.386 120.400 0.106 0.000 2.804 100 D HA 0.006 4.643 4.640 -0.005 0.000 0.308 100 D C -0.121 176.237 176.300 0.095 0.000 1.371 100 D CA -0.782 53.269 54.000 0.085 0.000 0.823 100 D CB -1.241 39.578 40.800 0.032 0.000 1.126 100 D HN -0.007 8.363 8.370 -0.000 0.000 0.467 101 F N 2.910 122.891 119.950 0.052 0.000 2.623 101 F HA 0.260 4.784 4.527 -0.005 0.000 0.386 101 F C 0.338 176.176 175.800 0.063 0.000 1.068 101 F CA 0.594 58.632 58.000 0.064 0.000 1.265 101 F CB 0.577 39.697 39.000 0.200 0.000 1.026 101 F HN 0.112 8.412 8.300 -0.000 0.000 0.568 102 T N 3.721 117.674 114.554 -1.002 0.000 2.843 102 T HA 0.373 4.720 4.350 -0.005 0.000 0.302 102 T C 0.590 174.593 174.700 -1.162 0.000 1.232 102 T CA -0.965 60.598 62.100 -0.895 0.000 1.009 102 T CB 1.152 69.816 68.868 -0.341 0.000 1.254 102 T HN 0.635 8.875 8.240 -0.000 0.000 0.504 103 L N 0.454 121.309 121.223 -0.615 0.000 2.191 103 L HA -0.015 4.322 4.340 -0.005 0.000 0.212 103 L C 2.014 178.737 176.870 -0.245 0.000 1.103 103 L CA 1.250 55.907 54.840 -0.305 0.000 0.769 103 L CB -0.485 41.574 42.059 -0.001 0.000 0.908 103 L HN 0.702 8.932 8.230 -0.000 0.000 0.438 104 D N -0.410 119.856 120.400 -0.223 0.000 2.144 104 D HA -0.146 4.491 4.640 -0.005 0.000 0.199 104 D C 2.317 178.504 176.300 -0.188 0.000 0.984 104 D CA 0.967 54.872 54.000 -0.159 0.000 0.834 104 D CB -0.118 40.611 40.800 -0.118 0.000 0.955 104 D HN 0.073 8.443 8.370 -0.000 0.000 0.465 105 V N 0.919 120.668 119.914 -0.276 0.000 2.332 105 V HA -0.256 3.860 4.120 -0.005 0.000 0.248 105 V C 2.400 178.343 176.094 -0.252 0.000 1.055 105 V CA 1.211 63.362 62.300 -0.249 0.000 1.038 105 V CB -0.328 31.322 31.823 -0.289 0.000 0.651 105 V HN 0.234 8.424 8.190 -0.000 0.000 0.450 106 M N -0.276 119.109 119.600 -0.358 0.000 2.175 106 M HA -0.150 4.327 4.480 -0.005 0.000 0.264 106 M C 2.166 178.374 176.300 -0.153 0.000 1.063 106 M CA 1.617 56.694 55.300 -0.373 0.000 1.119 106 M CB -1.215 30.998 32.600 -0.645 0.000 1.377 106 M HN 0.364 8.654 8.290 -0.000 0.000 0.415 107 K N 0.435 120.770 120.400 -0.108 0.000 2.057 107 K HA -0.236 4.081 4.320 -0.005 0.000 0.207 107 K C 1.933 178.509 176.600 -0.041 0.000 1.049 107 K CA 1.778 58.039 56.287 -0.042 0.000 0.931 107 K CB -0.002 32.475 32.500 -0.040 0.000 0.714 107 K HN 0.089 8.339 8.250 -0.000 0.000 0.440 108 E N 1.076 121.241 120.200 -0.059 0.000 2.072 108 E HA -0.173 4.174 4.350 -0.005 0.000 0.191 108 E C 1.936 178.528 176.600 -0.013 0.000 0.985 108 E CA 0.896 57.274 56.400 -0.036 0.000 0.801 108 E CB -0.349 29.328 29.700 -0.040 0.000 0.750 108 E HN 0.297 8.657 8.360 -0.000 0.000 0.452 109 L N 0.333 121.543 121.223 -0.022 0.000 2.042 109 L HA -0.105 4.232 4.340 -0.005 0.000 0.210 109 L C 2.195 179.094 176.870 0.049 0.000 1.076 109 L CA 1.633 56.497 54.840 0.040 0.000 0.749 109 L CB -0.483 41.578 42.059 0.004 0.000 0.893 109 L HN 0.253 8.483 8.230 -0.000 0.000 0.432 110 I N -1.029 119.553 120.570 0.020 0.000 2.118 110 I HA -0.375 3.791 4.170 -0.005 0.000 0.241 110 I C 2.282 178.362 176.117 -0.061 0.000 1.070 110 I CA 1.898 63.199 61.300 0.001 0.000 1.327 110 I CB -0.862 37.163 38.000 0.043 0.000 1.034 110 I HN 0.289 8.499 8.210 -0.000 0.000 0.405 111 T N 1.449 115.976 114.554 -0.045 0.000 2.653 111 T HA -0.214 4.133 4.350 -0.005 0.000 0.268 111 T C 1.900 176.537 174.700 -0.104 0.000 1.035 111 T CA 1.586 63.646 62.100 -0.067 0.000 1.154 111 T CB -0.450 68.392 68.868 -0.044 0.000 0.862 111 T HN 0.258 8.498 8.240 -0.000 0.000 0.441 112 L N 0.612 121.805 121.223 -0.050 0.000 2.056 112 L HA -0.064 4.273 4.340 -0.005 0.000 0.207 112 L C 3.069 179.788 176.870 -0.253 0.000 1.078 112 L CA 1.131 55.973 54.840 0.003 0.000 0.749 112 L CB -0.731 41.487 42.059 0.265 0.000 0.901 112 L HN 0.242 8.472 8.230 -0.000 0.000 0.433 113 A N 0.289 122.773 122.820 -0.561 0.000 1.908 113 A HA -0.236 4.080 4.320 -0.005 0.000 0.218 113 A C 2.353 179.521 177.584 -0.693 0.000 1.181 113 A CA 1.843 53.092 52.037 -1.313 0.000 0.627 113 A CB -0.344 18.238 19.000 -0.697 0.000 0.818 113 A HN 0.352 8.502 8.150 -0.000 0.000 0.445 114 K N -1.140 119.044 120.400 -0.359 0.000 2.062 114 K HA -0.104 4.213 4.320 -0.005 0.000 0.205 114 K C 2.217 178.688 176.600 -0.214 0.000 1.051 114 K CA 1.141 57.293 56.287 -0.224 0.000 0.941 114 K CB -0.563 31.851 32.500 -0.144 0.000 0.719 114 K HN 0.591 8.841 8.250 -0.000 0.000 0.440 115 C N 1.256 120.399 119.300 -0.261 0.000 2.436 115 C HA -0.121 4.336 4.460 -0.005 0.000 0.277 115 C C 2.423 177.214 174.990 -0.332 0.000 1.241 115 C CA 0.879 59.702 59.018 -0.325 0.000 1.721 115 C CB -0.879 26.583 27.740 -0.464 0.000 2.043 115 C HN 0.434 8.664 8.230 -0.000 0.000 0.472 116 H N -0.008 119.032 119.070 -0.050 0.000 2.553 116 H HA 0.204 4.757 4.556 -0.005 0.000 0.265 116 H C 0.349 175.703 175.328 0.044 0.000 0.964 116 H CA 0.777 56.860 56.048 0.058 0.000 1.156 116 H CB -0.347 29.569 29.762 0.256 0.000 1.411 116 H HN 0.654 8.934 8.280 -0.000 0.000 0.558 117 E N 0.215 120.394 120.200 -0.036 0.000 2.442 117 E HA -0.182 4.165 4.350 -0.005 0.000 0.177 117 E C -1.093 175.550 176.600 0.071 0.000 1.505 117 E CA 0.275 56.651 56.400 -0.040 0.000 0.662 117 E CB -1.786 27.923 29.700 0.016 0.000 1.117 117 E HN 0.360 8.720 8.360 -0.000 0.000 0.375 118 F N -1.578 118.407 119.950 0.059 0.000 2.613 118 F HA 0.707 5.231 4.527 -0.005 0.000 0.314 118 F C -0.441 175.393 175.800 0.057 0.000 1.075 118 F CA -1.569 56.460 58.000 0.047 0.000 0.945 118 F CB 0.994 40.024 39.000 0.050 0.000 1.310 118 F HN -0.080 8.220 8.300 -0.000 0.000 0.467 119 L N 2.529 123.926 121.223 0.290 0.000 2.399 119 L HA 0.480 4.817 4.340 -0.005 0.000 0.266 119 L C -0.294 176.800 176.870 0.373 0.000 1.114 119 L CA -0.818 54.154 54.840 0.220 0.000 0.804 119 L CB 1.507 43.645 42.059 0.132 0.000 1.146 119 L HN 0.594 8.824 8.230 -0.000 0.000 0.451 120 I N 2.439 123.199 120.570 0.318 0.000 2.336 120 I HA 0.215 4.382 4.170 -0.005 0.000 0.292 120 I C -0.768 175.575 176.117 0.377 0.000 0.991 120 I CA -0.266 61.264 61.300 0.384 0.000 1.227 120 I CB 1.422 39.677 38.000 0.425 0.000 1.366 120 I HN 0.314 8.524 8.210 -0.000 0.000 0.466 121 F N 6.940 126.981 119.950 0.153 0.000 2.445 121 F HA 0.433 4.956 4.527 -0.006 0.000 0.348 121 F C -0.152 175.687 175.800 0.064 0.000 1.125 121 F CA -1.537 56.501 58.000 0.063 0.000 0.983 121 F CB 1.077 40.079 39.000 0.003 0.000 1.198 121 F HN 0.390 8.690 8.300 -0.000 0.000 0.436 122 E N 3.688 124.013 120.200 0.208 0.000 2.223 122 E HA 0.127 4.473 4.350 -0.005 0.000 0.282 122 E C -0.857 175.567 176.600 -0.294 0.000 1.046 122 E CA 0.088 56.465 56.400 -0.038 0.000 0.857 122 E CB 0.621 30.326 29.700 0.008 0.000 1.055 122 E HN 0.520 8.880 8.360 -0.000 0.000 0.409 123 D N 3.572 123.591 120.400 -0.636 0.000 3.057 123 D HA 0.077 4.714 4.640 -0.005 0.000 0.246 123 D C 0.680 176.806 176.300 -0.291 0.000 1.238 123 D CA -0.100 53.478 54.000 -0.704 0.000 0.949 123 D CB -0.012 40.161 40.800 -1.044 0.000 1.086 123 D HN 0.316 8.686 8.370 -0.000 0.000 0.487 124 R N 1.514 121.864 120.500 -0.250 0.000 2.275 124 R HA 0.098 4.435 4.340 -0.005 0.000 0.199 124 R C 0.314 176.381 176.300 -0.388 0.000 0.989 124 R CA 0.260 56.130 56.100 -0.384 0.000 1.016 124 R CB -0.351 29.486 30.300 -0.772 0.000 0.918 124 R HN 0.050 8.320 8.270 -0.000 0.000 0.473 125 K N 0.898 121.196 120.400 -0.171 0.000 3.311 125 K HA -0.217 4.100 4.320 -0.005 0.000 0.270 125 K C -0.932 175.705 176.600 0.062 0.000 0.927 125 K CA 0.502 56.757 56.287 -0.054 0.000 0.706 125 K CB -1.891 30.635 32.500 0.044 0.000 1.418 125 K HN 0.155 8.405 8.250 -0.000 0.000 0.459 126 F N 0.649 120.629 119.950 0.050 0.000 2.629 126 F HA -0.003 4.520 4.527 -0.006 0.000 0.369 126 F C 1.263 177.135 175.800 0.120 0.000 1.125 126 F CA 0.916 58.951 58.000 0.058 0.000 1.330 126 F CB 0.674 39.668 39.000 -0.011 0.000 1.071 126 F HN 0.337 8.637 8.300 -0.000 0.000 0.595 127 A N 2.761 125.751 122.820 0.283 0.000 3.455 127 A HA 0.295 4.611 4.320 -0.005 0.000 0.225 127 A C -0.931 176.733 177.584 0.135 0.000 1.052 127 A CA -0.489 51.671 52.037 0.204 0.000 1.005 127 A CB -0.133 18.963 19.000 0.159 0.000 1.318 127 A HN 0.649 8.799 8.150 -0.000 0.000 0.639 128 D N 0.105 120.590 120.400 0.140 0.000 2.636 128 D HA 0.505 5.142 4.640 -0.005 0.000 0.275 128 D C 0.281 176.624 176.300 0.070 0.000 1.130 128 D CA -0.367 53.692 54.000 0.097 0.000 1.031 128 D CB 1.824 42.692 40.800 0.113 0.000 1.451 128 D HN 0.517 8.887 8.370 -0.000 0.000 0.505 129 I N -1.373 119.226 120.570 0.049 0.000 2.938 129 I HA 0.311 4.478 4.170 -0.005 0.000 0.285 129 I C 1.481 177.609 176.117 0.020 0.000 1.182 129 I CA -0.153 61.165 61.300 0.030 0.000 1.388 129 I CB 0.455 38.469 38.000 0.024 0.000 1.390 129 I HN 0.406 8.616 8.210 -0.000 0.000 0.600 130 G N 2.823 111.625 108.800 0.002 0.000 2.469 130 G HA2 -0.361 3.596 3.960 -0.005 0.000 0.219 130 G HA3 -0.361 3.596 3.960 -0.005 0.000 0.219 130 G C 1.278 176.171 174.900 -0.012 0.000 1.150 130 G CA 1.426 46.516 45.100 -0.017 0.000 0.763 130 G HN 0.888 9.178 8.290 -0.000 0.000 0.561 131 N N -0.289 118.411 118.700 0.000 0.000 2.223 131 N HA -0.073 4.663 4.740 -0.005 0.000 0.185 131 N C 2.198 177.717 175.510 0.015 0.000 1.016 131 N CA 1.865 54.918 53.050 0.004 0.000 0.863 131 N CB -0.137 38.355 38.487 0.007 0.000 0.983 131 N HN 0.247 8.627 8.380 -0.000 0.000 0.429 132 T N -0.576 113.996 114.554 0.029 0.000 2.809 132 T HA -0.068 4.279 4.350 -0.005 0.000 0.260 132 T C 1.999 176.742 174.700 0.073 0.000 1.039 132 T CA 1.306 63.438 62.100 0.053 0.000 1.141 132 T CB -0.409 68.497 68.868 0.063 0.000 0.869 132 T HN 0.276 8.516 8.240 -0.000 0.000 0.437 133 V N 0.776 120.722 119.914 0.054 0.000 2.490 133 V HA -0.105 4.012 4.120 -0.005 0.000 0.250 133 V C 2.275 178.332 176.094 -0.061 0.000 1.061 133 V CA 1.667 63.975 62.300 0.014 0.000 1.064 133 V CB -0.796 30.971 31.823 -0.094 0.000 0.670 133 V HN 0.325 8.515 8.190 -0.000 0.000 0.461 134 K N 0.679 121.060 120.400 -0.030 0.000 2.044 134 K HA -0.231 4.086 4.320 -0.005 0.000 0.210 134 K C 2.327 178.952 176.600 0.042 0.000 1.049 134 K CA 2.307 58.592 56.287 -0.003 0.000 0.927 134 K CB -0.169 32.322 32.500 -0.014 0.000 0.713 134 K HN 0.575 8.825 8.250 -0.000 0.000 0.443 135 K N 0.119 120.551 120.400 0.054 0.000 2.103 135 K HA -0.111 4.206 4.320 -0.005 0.000 0.204 135 K C 2.238 178.915 176.600 0.129 0.000 1.052 135 K CA 1.149 57.477 56.287 0.069 0.000 0.945 135 K CB 0.017 32.550 32.500 0.055 0.000 0.722 135 K HN 0.235 8.485 8.250 -0.000 0.000 0.443 136 Q N -0.452 119.466 119.800 0.196 0.000 2.170 136 Q HA -0.184 4.153 4.340 -0.005 0.000 0.203 136 Q C 1.717 178.001 176.000 0.472 0.000 0.976 136 Q CA 1.280 57.282 55.803 0.333 0.000 0.858 136 Q CB -0.072 28.942 28.738 0.459 0.000 0.907 136 Q HN 0.321 8.591 8.270 -0.000 0.000 0.433 137 Y N 0.977 121.378 120.300 0.169 0.000 2.269 137 Y HA -0.058 4.489 4.550 -0.004 0.000 0.294 137 Y C 1.954 177.889 175.900 0.058 0.000 1.120 137 Y CA 1.287 59.445 58.100 0.097 0.000 1.159 137 Y CB 0.091 38.395 38.460 -0.261 0.000 1.024 137 Y HN 0.039 8.319 8.280 -0.000 0.000 0.532 138 E N -0.510 119.691 120.200 0.002 0.000 2.140 138 E HA 0.135 4.482 4.350 -0.005 0.000 0.191 138 E C 1.232 177.830 176.600 -0.003 0.000 0.973 138 E CA 0.594 56.925 56.400 -0.115 0.000 0.829 138 E CB -0.111 29.526 29.700 -0.106 0.000 0.781 138 E HN 0.449 8.809 8.360 -0.000 0.000 0.466 139 G N -0.742 108.093 108.800 0.058 0.000 3.008 139 G HA2 0.511 4.468 3.960 -0.005 0.000 0.181 139 G HA3 0.511 4.468 3.960 -0.005 0.000 0.181 139 G C 0.263 175.210 174.900 0.078 0.000 1.309 139 G CA -0.160 44.977 45.100 0.061 0.000 1.009 139 G HN 0.474 8.764 8.290 -0.000 0.000 0.584 140 G N -1.160 107.664 108.800 0.039 0.000 2.645 140 G HA2 -0.183 3.774 3.960 -0.005 0.000 0.246 140 G HA3 -0.183 3.774 3.960 -0.005 0.000 0.246 140 G C 0.863 175.749 174.900 -0.023 0.000 1.322 140 G CA 0.065 45.158 45.100 -0.012 0.000 0.898 140 G HN 0.733 9.023 8.290 -0.000 0.000 0.573 141 I N -0.275 120.199 120.570 -0.159 0.000 2.315 141 I HA -0.002 4.165 4.170 -0.005 0.000 0.248 141 I C 2.706 178.850 176.117 0.045 0.000 1.117 141 I CA 1.737 62.957 61.300 -0.134 0.000 1.404 141 I CB -1.053 36.729 38.000 -0.363 0.000 1.071 141 I HN 0.396 8.606 8.210 -0.000 0.000 0.419 142 F N 1.262 121.247 119.950 0.058 0.000 2.416 142 F HA 0.049 4.573 4.527 -0.005 0.000 0.296 142 F C 1.282 177.327 175.800 0.408 0.000 1.099 142 F CA -0.152 57.890 58.000 0.070 0.000 1.427 142 F CB -0.685 38.277 39.000 -0.064 0.000 1.079 142 F HN 0.029 8.329 8.300 -0.000 0.000 0.536 143 K N 0.481 121.122 120.400 0.402 0.000 3.278 143 K HA -0.247 4.070 4.320 -0.005 0.000 0.270 143 K C 1.053 177.731 176.600 0.130 0.000 0.955 143 K CA 0.155 56.598 56.287 0.260 0.000 0.723 143 K CB -1.824 30.844 32.500 0.281 0.000 1.382 143 K HN 0.342 8.592 8.250 -0.000 0.000 0.461 144 I N 0.038 120.644 120.570 0.061 0.000 2.145 144 I HA -0.370 3.797 4.170 -0.005 0.000 0.244 144 I C 2.518 178.239 176.117 -0.659 0.000 1.075 144 I CA 1.929 62.975 61.300 -0.422 0.000 1.332 144 I CB -0.339 37.658 38.000 -0.005 0.000 1.033 144 I HN 0.572 8.782 8.210 -0.000 0.000 0.410 145 A N 0.606 123.170 122.820 -0.427 0.000 2.019 145 A HA -0.219 4.098 4.320 -0.005 0.000 0.219 145 A C 2.443 179.848 177.584 -0.297 0.000 1.164 145 A CA 2.041 53.751 52.037 -0.546 0.000 0.644 145 A CB -0.755 17.680 19.000 -0.941 0.000 0.805 145 A HN 0.573 8.723 8.150 -0.000 0.000 0.449 146 S N -0.955 114.627 115.700 -0.197 0.000 2.447 146 S HA -0.112 4.354 4.470 -0.005 0.000 0.233 146 S C 1.559 176.229 174.600 0.116 0.000 1.006 146 S CA 1.003 59.199 58.200 -0.006 0.000 0.957 146 S CB -0.588 62.685 63.200 0.120 0.000 0.773 146 S HN 0.998 9.308 8.310 -0.000 0.000 0.507 147 W N 0.136 121.501 121.300 0.107 0.000 2.661 147 W HA 0.656 5.313 4.660 -0.006 0.000 0.288 147 W C 0.051 176.650 176.519 0.134 0.000 1.014 147 W CA -0.269 57.144 57.345 0.113 0.000 1.396 147 W CB -0.017 29.519 29.460 0.127 0.000 0.963 147 W HN 0.310 8.490 8.180 -0.000 0.000 0.584 148 A N 2.752 125.437 122.820 -0.226 0.000 2.276 148 A HA 0.252 4.569 4.320 -0.005 0.000 0.300 148 A C 0.961 178.590 177.584 0.076 0.000 1.235 148 A CA -0.135 51.860 52.037 -0.070 0.000 0.867 148 A CB 0.477 19.266 19.000 -0.352 0.000 1.137 148 A HN 0.134 8.284 8.150 -0.000 0.000 0.527 149 D N 1.666 122.151 120.400 0.142 0.000 2.144 149 D HA -0.037 4.600 4.640 -0.005 0.000 0.199 149 D C 0.313 176.650 176.300 0.062 0.000 0.984 149 D CA 1.486 55.551 54.000 0.108 0.000 0.834 149 D CB 0.150 41.010 40.800 0.101 0.000 0.955 149 D HN 0.495 8.865 8.370 -0.000 0.000 0.465 150 L N 0.184 121.447 121.223 0.067 0.000 2.388 150 L HA 0.416 4.752 4.340 -0.005 0.000 0.264 150 L C -0.376 176.564 176.870 0.117 0.000 0.998 150 L CA -0.944 53.866 54.840 -0.050 0.000 0.817 150 L CB 2.804 44.697 42.059 -0.277 0.000 1.338 150 L HN -0.221 8.009 8.230 -0.000 0.000 0.414 151 V N -1.362 118.555 119.914 0.005 0.000 3.160 151 V HA 0.745 4.862 4.120 -0.005 0.000 0.310 151 V C -1.295 174.839 176.094 0.066 0.000 1.181 151 V CA -0.739 61.661 62.300 0.167 0.000 1.047 151 V CB 2.075 33.965 31.823 0.111 0.000 1.068 151 V HN 0.895 9.085 8.190 -0.000 0.000 0.441 152 N N 0.386 119.216 118.700 0.216 0.000 2.469 152 N HA 0.911 5.647 4.740 -0.005 0.000 0.286 152 N C -0.773 174.789 175.510 0.086 0.000 1.275 152 N CA -0.271 52.819 53.050 0.067 0.000 0.790 152 N CB 2.142 40.705 38.487 0.127 0.000 1.446 152 N HN 1.565 9.945 8.380 -0.000 0.000 0.501 153 A N -0.379 122.432 122.820 -0.016 0.000 2.547 153 A HA 0.466 4.783 4.320 -0.005 0.000 0.297 153 A C -1.312 176.243 177.584 -0.048 0.000 1.056 153 A CA -0.733 51.332 52.037 0.046 0.000 0.688 153 A CB 0.883 19.920 19.000 0.061 0.000 1.282 153 A HN 0.730 8.880 8.150 -0.000 0.000 0.400 154 H N 1.076 120.209 119.070 0.104 0.000 2.615 154 H HA 0.268 4.820 4.556 -0.005 0.000 0.363 154 H C 1.393 176.765 175.328 0.074 0.000 1.148 154 H CA 0.984 57.103 56.048 0.119 0.000 1.401 154 H CB 1.770 31.614 29.762 0.137 0.000 1.461 154 H HN 0.668 8.948 8.280 -0.000 0.000 0.588 155 V N 0.617 120.642 119.914 0.186 0.000 3.650 155 V HA -0.029 4.088 4.120 -0.005 0.000 0.271 155 V C 2.112 178.171 176.094 -0.059 0.000 1.281 155 V CA 0.415 62.705 62.300 -0.017 0.000 1.120 155 V CB -0.419 31.310 31.823 -0.158 0.000 0.856 155 V HN 0.477 8.667 8.190 -0.000 0.000 0.443 156 V N 2.403 122.370 119.914 0.089 0.000 2.313 156 V HA -0.185 3.932 4.120 -0.005 0.000 0.253 156 V C 0.495 176.615 176.094 0.044 0.000 1.070 156 V CA 3.245 65.610 62.300 0.107 0.000 1.057 156 V CB -1.104 30.855 31.823 0.228 0.000 0.653 156 V HN 0.649 8.839 8.190 -0.000 0.000 0.450 157 P HA 0.256 4.676 4.420 -0.000 0.000 0.242 157 P C 0.590 177.892 177.300 0.002 0.000 1.197 157 P CA 1.196 64.312 63.100 0.028 0.000 0.765 157 P CB -0.517 31.207 31.700 0.040 0.000 0.936 158 G N 0.117 108.904 108.800 -0.022 0.000 2.795 158 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.664 158 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.664 158 G C 0.916 175.790 174.900 -0.043 0.000 1.381 158 G CA -0.087 44.993 45.100 -0.034 0.000 0.853 158 G HN 0.207 8.497 8.290 -0.000 0.000 0.545 159 S N -0.665 115.011 115.700 -0.040 0.000 2.500 159 S HA 0.100 4.567 4.470 -0.005 0.000 0.239 159 S C 2.532 177.083 174.600 -0.082 0.000 0.989 159 S CA 1.643 59.793 58.200 -0.084 0.000 0.951 159 S CB -0.322 62.884 63.200 0.011 0.000 0.759 159 S HN 2.220 10.530 8.310 -0.000 0.000 0.523 160 G N 1.289 110.071 108.800 -0.030 0.000 2.462 160 G HA2 -0.169 3.788 3.960 -0.005 0.000 0.220 160 G HA3 -0.169 3.788 3.960 -0.005 0.000 0.220 160 G C 1.389 176.263 174.900 -0.044 0.000 1.121 160 G CA 0.786 45.872 45.100 -0.022 0.000 0.758 160 G HN 0.500 8.790 8.290 -0.000 0.000 0.559 161 V N 0.464 120.349 119.914 -0.049 0.000 2.343 161 V HA -0.170 3.947 4.120 -0.005 0.000 0.247 161 V C 2.954 178.993 176.094 -0.092 0.000 1.051 161 V CA 2.100 64.370 62.300 -0.049 0.000 1.036 161 V CB -0.207 31.612 31.823 -0.006 0.000 0.654 161 V HN 0.223 8.413 8.190 -0.000 0.000 0.451 162 V N -0.281 119.550 119.914 -0.138 0.000 2.307 162 V HA -0.255 3.862 4.120 -0.005 0.000 0.245 162 V C 2.458 178.487 176.094 -0.109 0.000 1.045 162 V CA 2.443 64.651 62.300 -0.153 0.000 1.024 162 V CB -0.852 30.725 31.823 -0.411 0.000 0.651 162 V HN 0.496 8.685 8.190 -0.000 0.000 0.449 163 K N 0.494 120.834 120.400 -0.100 0.000 2.044 163 K HA -0.164 4.153 4.320 -0.005 0.000 0.210 163 K C 2.185 178.740 176.600 -0.076 0.000 1.049 163 K CA 1.787 58.059 56.287 -0.024 0.000 0.927 163 K CB -0.788 31.727 32.500 0.025 0.000 0.713 163 K HN 0.546 8.796 8.250 -0.000 0.000 0.443 164 G N 0.357 109.109 108.800 -0.081 0.000 2.394 164 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.215 164 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.215 164 G C 1.422 176.247 174.900 -0.125 0.000 1.165 164 G CA 0.472 45.520 45.100 -0.087 0.000 0.784 164 G HN 0.121 8.411 8.290 -0.000 0.000 0.535 165 L N -0.255 120.866 121.223 -0.170 0.000 2.046 165 L HA -0.114 4.223 4.340 -0.005 0.000 0.208 165 L C 2.982 179.630 176.870 -0.369 0.000 1.077 165 L CA 1.336 56.057 54.840 -0.197 0.000 0.747 165 L CB -0.498 41.435 42.059 -0.209 0.000 0.896 165 L HN 0.284 8.514 8.230 -0.000 0.000 0.432 166 Q N 0.170 119.597 119.800 -0.622 0.000 2.112 166 Q HA -0.263 4.074 4.340 -0.005 0.000 0.206 166 Q C 2.059 177.746 176.000 -0.522 0.000 0.987 166 Q CA 1.752 56.963 55.803 -0.986 0.000 0.858 166 Q CB 0.049 28.518 28.738 -0.449 0.000 0.905 166 Q HN 0.480 8.750 8.270 -0.000 0.000 0.420 167 E N -0.941 119.094 120.200 -0.275 0.000 2.204 167 E HA -0.163 4.184 4.350 -0.005 0.000 0.195 167 E C 1.826 178.338 176.600 -0.146 0.000 0.990 167 E CA 1.298 57.600 56.400 -0.163 0.000 0.821 167 E CB 0.247 29.886 29.700 -0.103 0.000 0.750 167 E HN 0.248 8.608 8.360 -0.000 0.000 0.477 168 V N -0.292 119.535 119.914 -0.145 0.000 2.672 168 V HA 0.006 4.123 4.120 -0.005 0.000 0.242 168 V C 2.202 178.209 176.094 -0.146 0.000 1.059 168 V CA 1.476 63.690 62.300 -0.144 0.000 1.081 168 V CB -0.019 31.697 31.823 -0.178 0.000 0.752 168 V HN 0.298 8.488 8.190 -0.000 0.000 0.472 169 G N -0.115 108.627 108.800 -0.097 0.000 2.396 169 G HA2 -0.110 3.847 3.960 -0.005 0.000 0.214 169 G HA3 -0.110 3.847 3.960 -0.005 0.000 0.214 169 G C 1.578 176.501 174.900 0.039 0.000 1.166 169 G CA 0.554 45.711 45.100 0.096 0.000 0.793 169 G HN 0.381 8.671 8.290 -0.000 0.000 0.533 170 L N 0.960 122.073 121.223 -0.183 0.000 1.990 170 L HA -0.090 4.246 4.340 -0.005 0.000 0.213 170 L C 0.240 177.091 176.870 -0.031 0.000 1.072 170 L CA 1.538 56.335 54.840 -0.072 0.000 0.755 170 L CB -1.271 40.709 42.059 -0.133 0.000 0.889 170 L HN 0.185 8.415 8.230 -0.000 0.000 0.432 171 P HA -0.179 4.241 4.420 -0.000 0.000 0.216 171 P C 1.559 178.956 177.300 0.162 0.000 1.150 171 P CA 1.442 64.570 63.100 0.048 0.000 0.843 171 P CB 0.051 31.750 31.700 -0.002 0.000 0.787 172 L N -2.536 118.758 121.223 0.119 0.000 2.611 172 L HA 0.111 4.447 4.340 -0.005 0.000 0.229 172 L C 0.284 177.320 176.870 0.276 0.000 1.137 172 L CA 0.082 55.007 54.840 0.141 0.000 0.901 172 L CB -0.997 41.076 42.059 0.025 0.000 1.098 172 L HN 0.219 8.449 8.230 -0.000 0.000 0.456 173 H N -0.424 118.705 119.070 0.099 0.000 2.839 173 H HA -0.122 4.431 4.556 -0.005 0.000 0.298 173 H C 0.260 175.726 175.328 0.230 0.000 1.224 173 H CA -0.175 55.962 56.048 0.147 0.000 1.144 173 H CB -0.732 29.078 29.762 0.081 0.000 1.372 173 H HN 0.305 8.585 8.280 -0.000 0.000 0.408 174 R N 0.474 121.186 120.500 0.354 0.000 2.553 174 R HA 0.648 4.985 4.340 -0.005 0.000 0.263 174 R C 1.000 177.430 176.300 0.217 0.000 1.066 174 R CA 0.055 56.340 56.100 0.308 0.000 1.135 174 R CB 0.972 31.512 30.300 0.400 0.000 1.148 174 R HN 0.290 8.560 8.270 -0.000 0.000 0.558 175 G N -1.220 107.496 108.800 -0.141 0.000 2.630 175 G HA2 0.523 4.479 3.960 -0.005 0.000 0.296 175 G HA3 0.523 4.479 3.960 -0.005 0.000 0.296 175 G C -1.356 173.061 174.900 -0.805 0.000 1.285 175 G CA -0.325 44.382 45.100 -0.656 0.000 0.958 175 G HN 0.574 8.864 8.290 -0.000 0.000 0.479 176 C N 0.363 119.015 119.300 -1.081 0.000 2.698 176 C HA 0.802 5.258 4.460 -0.005 0.000 0.309 176 C C -0.622 173.985 174.990 -0.638 0.000 1.186 176 C CA -0.733 57.753 59.018 -0.887 0.000 1.474 176 C CB 0.195 27.207 27.740 -1.214 0.000 2.020 176 C HN 0.636 8.866 8.230 -0.000 0.000 0.474 177 L N 5.293 126.219 121.223 -0.496 0.000 2.317 177 L HA 0.611 4.948 4.340 -0.005 0.000 0.281 177 L C -0.433 176.241 176.870 -0.328 0.000 1.024 177 L CA -0.476 54.093 54.840 -0.453 0.000 0.810 177 L CB 1.276 43.077 42.059 -0.430 0.000 1.240 177 L HN 0.491 8.721 8.230 -0.000 0.000 0.427 178 L N 3.722 124.738 121.223 -0.346 0.000 2.322 178 L HA 0.478 4.815 4.340 -0.005 0.000 0.279 178 L C -0.235 176.644 176.870 0.014 0.000 1.036 178 L CA -0.611 54.138 54.840 -0.152 0.000 0.807 178 L CB 1.929 43.910 42.059 -0.131 0.000 1.226 178 L HN 0.492 8.722 8.230 -0.000 0.000 0.433 179 I N 2.662 123.239 120.570 0.011 0.000 2.278 179 I HA 0.103 4.270 4.170 -0.005 0.000 0.296 179 I C 1.049 177.284 176.117 0.196 0.000 1.121 179 I CA 0.132 61.463 61.300 0.050 0.000 1.267 179 I CB 1.248 39.157 38.000 -0.151 0.000 1.447 179 I HN 0.787 8.997 8.210 -0.000 0.000 0.509 180 A N 5.517 128.459 122.820 0.204 0.000 2.030 180 A HA 0.178 4.495 4.320 -0.005 0.000 0.215 180 A C 0.716 178.397 177.584 0.162 0.000 1.164 180 A CA 0.752 52.896 52.037 0.179 0.000 0.697 180 A CB 0.176 19.184 19.000 0.015 0.000 0.827 180 A HN 0.673 8.823 8.150 -0.000 0.000 0.457 181 E N -1.285 118.984 120.200 0.114 0.000 2.390 181 E HA 0.594 4.941 4.350 -0.005 0.000 0.277 181 E C -1.361 175.275 176.600 0.060 0.000 0.939 181 E CA -0.509 55.929 56.400 0.064 0.000 0.769 181 E CB 1.927 31.649 29.700 0.038 0.000 1.251 181 E HN 0.273 8.633 8.360 -0.000 0.000 0.450 182 M N 0.769 120.385 119.600 0.027 0.000 2.664 182 M HA 0.242 4.718 4.480 -0.005 0.000 0.314 182 M C 0.869 177.170 176.300 0.001 0.000 1.200 182 M CA -0.604 54.713 55.300 0.028 0.000 0.916 182 M CB 1.891 34.510 32.600 0.033 0.000 1.717 182 M HN 0.613 8.903 8.290 -0.000 0.000 0.470 183 S N -1.034 114.664 115.700 -0.004 0.000 2.562 183 S HA 0.047 4.514 4.470 -0.005 0.000 0.221 183 S C 0.585 175.145 174.600 -0.067 0.000 0.975 183 S CA -0.168 58.012 58.200 -0.032 0.000 0.918 183 S CB -0.500 62.677 63.200 -0.037 0.000 0.772 183 S HN 0.709 9.019 8.310 -0.000 0.000 0.531 184 S N 1.523 117.188 115.700 -0.059 0.000 2.632 184 S HA 0.454 4.921 4.470 -0.005 0.000 0.271 184 S C -0.060 174.501 174.600 -0.066 0.000 1.260 184 S CA -0.709 57.446 58.200 -0.075 0.000 1.010 184 S CB 0.573 63.735 63.200 -0.063 0.000 0.965 184 S HN 0.233 8.543 8.310 -0.000 0.000 0.534 185 T N 1.884 116.397 114.554 -0.069 0.000 2.902 185 T HA 0.469 4.815 4.350 -0.005 0.000 0.301 185 T C 1.470 176.138 174.700 -0.053 0.000 1.012 185 T CA 0.711 62.777 62.100 -0.056 0.000 1.151 185 T CB 0.048 68.885 68.868 -0.051 0.000 0.946 185 T HN 1.506 9.746 8.240 -0.000 0.000 0.542 186 G N 2.689 111.459 108.800 -0.050 0.000 2.176 186 G HA2 -0.296 3.661 3.960 -0.005 0.000 0.253 186 G HA3 -0.296 3.661 3.960 -0.005 0.000 0.253 186 G C 0.459 175.318 174.900 -0.067 0.000 0.979 186 G CA 0.173 45.242 45.100 -0.052 0.000 0.641 186 G HN 1.050 9.340 8.290 -0.000 0.000 0.530 187 S N -0.146 115.511 115.700 -0.072 0.000 2.642 187 S HA 0.208 4.675 4.470 -0.005 0.000 0.308 187 S C 1.590 176.114 174.600 -0.128 0.000 1.255 187 S CA 0.441 58.583 58.200 -0.097 0.000 1.057 187 S CB 0.099 63.251 63.200 -0.080 0.000 0.785 187 S HN 0.611 8.921 8.310 -0.000 0.000 0.500 188 L N 4.024 125.131 121.223 -0.193 0.000 2.629 188 L HA 0.269 4.605 4.340 -0.005 0.000 0.230 188 L C 1.339 177.956 176.870 -0.422 0.000 1.151 188 L CA -0.047 54.650 54.840 -0.238 0.000 0.924 188 L CB -0.430 41.499 42.059 -0.217 0.000 1.137 188 L HN 0.745 8.975 8.230 -0.000 0.000 0.457 189 A N 1.100 123.665 122.820 -0.425 0.000 3.126 189 A HA 0.463 4.779 4.320 -0.005 0.000 0.268 189 A C 0.518 178.040 177.584 -0.104 0.000 1.605 189 A CA -0.156 51.579 52.037 -0.503 0.000 1.305 189 A CB -0.720 18.106 19.000 -0.289 0.000 1.160 189 A HN 0.319 8.469 8.150 -0.000 0.000 0.609 190 T N -3.423 111.105 114.554 -0.043 0.000 2.864 190 T HA 0.759 5.105 4.350 -0.005 0.000 0.289 190 T C 0.927 175.669 174.700 0.070 0.000 1.082 190 T CA 0.146 62.255 62.100 0.016 0.000 1.009 190 T CB 1.136 69.994 68.868 -0.017 0.000 1.234 190 T HN 1.898 10.138 8.240 -0.000 0.000 0.526 191 G N 1.522 110.348 108.800 0.043 0.000 2.685 191 G HA2 -0.373 3.584 3.960 -0.005 0.000 0.329 191 G HA3 -0.373 3.584 3.960 -0.005 0.000 0.329 191 G C 0.631 175.567 174.900 0.060 0.000 1.271 191 G CA 1.057 46.182 45.100 0.041 0.000 1.003 191 G HN 0.841 9.131 8.290 -0.000 0.000 0.549 192 D N -0.698 119.740 120.400 0.064 0.000 2.182 192 D HA -0.055 4.582 4.640 -0.005 0.000 0.201 192 D C 1.865 178.213 176.300 0.080 0.000 0.986 192 D CA 1.719 55.753 54.000 0.057 0.000 0.847 192 D CB -0.244 40.585 40.800 0.048 0.000 0.942 192 D HN 0.487 8.857 8.370 -0.000 0.000 0.467 193 Y N 1.374 121.674 120.300 0.001 0.000 2.114 193 Y HA -0.252 4.296 4.550 -0.003 0.000 0.284 193 Y C 2.420 178.322 175.900 0.003 0.000 1.143 193 Y CA 1.988 60.092 58.100 0.008 0.000 1.135 193 Y CB -0.339 38.129 38.460 0.012 0.000 0.980 193 Y HN -0.106 8.174 8.280 -0.000 0.000 0.499 194 T N 0.771 115.481 114.554 0.259 0.000 2.684 194 T HA -0.220 4.127 4.350 -0.005 0.000 0.267 194 T C 1.838 176.536 174.700 -0.002 0.000 1.036 194 T CA 1.885 64.056 62.100 0.118 0.000 1.148 194 T CB -0.292 68.612 68.868 0.060 0.000 0.863 194 T HN 0.341 8.581 8.240 -0.000 0.000 0.436 195 R N 0.875 121.373 120.500 -0.003 0.000 2.105 195 R HA -0.003 4.334 4.340 -0.005 0.000 0.239 195 R C 2.822 179.102 176.300 -0.035 0.000 1.135 195 R CA 1.267 57.351 56.100 -0.026 0.000 0.967 195 R CB -0.488 29.807 30.300 -0.008 0.000 0.861 195 R HN 0.385 8.655 8.270 -0.000 0.000 0.442 196 A N 1.244 124.030 122.820 -0.056 0.000 1.933 196 A HA -0.116 4.201 4.320 -0.005 0.000 0.218 196 A C 2.372 179.907 177.584 -0.082 0.000 1.175 196 A CA 1.657 53.642 52.037 -0.087 0.000 0.628 196 A CB -0.571 18.331 19.000 -0.163 0.000 0.814 196 A HN 0.400 8.550 8.150 -0.000 0.000 0.444 197 A N -0.599 122.168 122.820 -0.089 0.000 1.902 197 A HA 0.002 4.319 4.320 -0.005 0.000 0.217 197 A C 2.226 179.871 177.584 0.102 0.000 1.181 197 A CA 1.782 53.817 52.037 -0.005 0.000 0.623 197 A CB -0.874 18.158 19.000 0.054 0.000 0.818 197 A HN 0.379 8.529 8.150 -0.000 0.000 0.443 198 V N -0.212 119.710 119.914 0.014 0.000 2.358 198 V HA -0.234 3.883 4.120 -0.005 0.000 0.246 198 V C 2.622 178.761 176.094 0.075 0.000 1.047 198 V CA 2.218 64.527 62.300 0.015 0.000 1.035 198 V CB -0.769 30.968 31.823 -0.145 0.000 0.658 198 V HN 0.619 8.809 8.190 -0.000 0.000 0.452 199 R N -0.604 119.923 120.500 0.045 0.000 2.091 199 R HA -0.191 4.145 4.340 -0.005 0.000 0.238 199 R C 2.366 178.720 176.300 0.091 0.000 1.136 199 R CA 2.129 58.266 56.100 0.062 0.000 0.959 199 R CB -0.267 30.054 30.300 0.034 0.000 0.856 199 R HN 0.463 8.733 8.270 -0.000 0.000 0.437 200 M N -0.342 119.301 119.600 0.072 0.000 2.132 200 M HA -0.132 4.345 4.480 -0.005 0.000 0.263 200 M C 2.140 178.523 176.300 0.138 0.000 1.065 200 M CA 1.873 57.233 55.300 0.099 0.000 1.122 200 M CB -0.054 32.540 32.600 -0.009 0.000 1.365 200 M HN 0.301 8.591 8.290 -0.000 0.000 0.411 201 A N 0.335 123.172 122.820 0.028 0.000 1.865 201 A HA -0.220 4.097 4.320 -0.005 0.000 0.217 201 A C 1.809 179.469 177.584 0.127 0.000 1.191 201 A CA 2.071 54.039 52.037 -0.115 0.000 0.623 201 A CB -0.903 17.746 19.000 -0.585 0.000 0.826 201 A HN 0.656 8.806 8.150 -0.000 0.000 0.444 202 E N -0.301 120.018 120.200 0.199 0.000 2.204 202 E HA -0.179 4.167 4.350 -0.005 0.000 0.195 202 E C 1.638 178.372 176.600 0.223 0.000 0.990 202 E CA 1.261 57.877 56.400 0.360 0.000 0.821 202 E CB -0.133 29.745 29.700 0.298 0.000 0.750 202 E HN 0.745 9.105 8.360 -0.000 0.000 0.477 203 E N -0.393 119.910 120.200 0.171 0.000 2.478 203 E HA -0.024 4.323 4.350 -0.005 0.000 0.194 203 E C 0.168 176.680 176.600 -0.147 0.000 1.045 203 E CA 0.330 56.753 56.400 0.038 0.000 0.868 203 E CB 0.281 30.006 29.700 0.041 0.000 0.885 203 E HN 0.322 8.682 8.360 -0.000 0.000 0.505 204 H N -1.128 117.999 119.070 0.094 0.000 2.562 204 H HA 0.091 4.644 4.556 -0.005 0.000 0.249 204 H C 1.206 176.619 175.328 0.141 0.000 1.195 204 H CA -0.078 56.032 56.048 0.103 0.000 0.938 204 H CB 0.528 30.346 29.762 0.093 0.000 1.891 204 H HN 0.031 8.311 8.280 -0.000 0.000 0.595 205 S N -0.423 115.407 115.700 0.217 0.000 2.500 205 S HA -0.167 4.300 4.470 -0.005 0.000 0.239 205 S C 1.365 176.071 174.600 0.176 0.000 0.989 205 S CA 1.054 59.380 58.200 0.210 0.000 0.951 205 S CB 0.115 63.392 63.200 0.128 0.000 0.759 205 S HN 0.392 8.702 8.310 -0.000 0.000 0.523 206 E N -0.154 120.154 120.200 0.179 0.000 2.358 206 E HA 0.171 4.518 4.350 -0.005 0.000 0.195 206 E C 1.168 177.992 176.600 0.373 0.000 1.010 206 E CA 0.626 57.142 56.400 0.192 0.000 0.856 206 E CB -0.144 29.617 29.700 0.103 0.000 0.795 206 E HN 0.697 9.057 8.360 -0.000 0.000 0.504 207 F N -0.765 119.270 119.950 0.143 0.000 2.577 207 F HA 0.241 4.764 4.527 -0.005 0.000 0.282 207 F C 0.067 175.816 175.800 -0.085 0.000 0.957 207 F CA -0.322 57.714 58.000 0.060 0.000 1.168 207 F CB 0.700 39.724 39.000 0.040 0.000 0.958 207 F HN -0.340 7.960 8.300 -0.000 0.000 0.702 208 V N 3.506 123.369 119.914 -0.085 0.000 2.455 208 V HA 0.166 4.283 4.120 -0.005 0.000 0.273 208 V C 1.155 177.161 176.094 -0.147 0.000 1.045 208 V CA 0.395 62.531 62.300 -0.273 0.000 0.976 208 V CB 0.849 32.557 31.823 -0.191 0.000 0.993 208 V HN 0.222 8.412 8.190 -0.000 0.000 0.475 209 V N 2.019 121.742 119.914 -0.318 0.000 3.643 209 V HA 0.807 4.924 4.120 -0.005 0.000 0.280 209 V C 0.685 176.712 176.094 -0.112 0.000 1.351 209 V CA 0.889 63.079 62.300 -0.183 0.000 1.073 209 V CB -0.124 31.496 31.823 -0.339 0.000 0.863 209 V HN 1.067 9.257 8.190 -0.000 0.000 0.436 210 G N -0.135 108.397 108.800 -0.447 0.000 2.344 210 G HA2 0.434 4.391 3.960 -0.005 0.000 0.282 210 G HA3 0.434 4.391 3.960 -0.005 0.000 0.282 210 G C -1.753 172.453 174.900 -1.156 0.000 1.281 210 G CA -0.591 44.078 45.100 -0.719 0.000 0.877 210 G HN 0.171 8.461 8.290 -0.000 0.000 0.494 211 F N -0.339 119.421 119.950 -0.318 0.000 2.577 211 F HA 0.694 5.219 4.527 -0.004 0.000 0.318 211 F C 0.069 175.793 175.800 -0.126 0.000 1.065 211 F CA -1.124 56.742 58.000 -0.224 0.000 0.929 211 F CB 2.042 40.928 39.000 -0.190 0.000 1.237 211 F HN 0.149 8.449 8.300 -0.000 0.000 0.468 212 I N 2.491 123.128 120.570 0.112 0.000 2.312 212 I HA 0.415 4.582 4.170 -0.005 0.000 0.291 212 I C 0.009 176.221 176.117 0.158 0.000 1.031 212 I CA -0.008 61.361 61.300 0.115 0.000 1.293 212 I CB 0.372 38.421 38.000 0.082 0.000 1.403 212 I HN 0.722 8.932 8.210 -0.000 0.000 0.484 213 S N 3.264 119.059 115.700 0.158 0.000 2.615 213 S HA 0.631 5.098 4.470 -0.005 0.000 0.269 213 S C 0.332 174.993 174.600 0.101 0.000 1.161 213 S CA -0.239 58.038 58.200 0.128 0.000 0.817 213 S CB 1.486 64.772 63.200 0.143 0.000 1.131 213 S HN 0.609 8.919 8.310 -0.000 0.000 0.467 214 G N -0.152 108.686 108.800 0.062 0.000 2.887 214 G HA2 0.501 4.457 3.960 -0.005 0.000 0.211 214 G HA3 0.501 4.457 3.960 -0.005 0.000 0.211 214 G C 0.085 175.004 174.900 0.032 0.000 1.152 214 G CA 0.200 45.329 45.100 0.048 0.000 0.769 214 G HN 0.850 9.140 8.290 -0.000 0.000 0.541 215 S N -1.526 114.180 115.700 0.010 0.000 2.656 215 S HA 0.460 4.926 4.470 -0.005 0.000 0.273 215 S C -0.736 173.776 174.600 -0.148 0.000 1.168 215 S CA -0.889 57.282 58.200 -0.048 0.000 0.817 215 S CB 1.892 65.061 63.200 -0.053 0.000 1.146 215 S HN 0.267 8.577 8.310 -0.000 0.000 0.475 216 R N 1.402 121.722 120.500 -0.301 0.000 2.458 216 R HA 0.192 4.529 4.340 -0.005 0.000 0.303 216 R C 0.675 176.788 176.300 -0.312 0.000 1.013 216 R CA 0.226 55.935 56.100 -0.653 0.000 1.026 216 R CB 0.017 30.050 30.300 -0.446 0.000 0.948 216 R HN 0.602 8.872 8.270 -0.000 0.000 0.417 217 V N 0.280 120.082 119.914 -0.187 0.000 3.635 217 V HA 0.221 4.338 4.120 -0.005 0.000 0.266 217 V C 0.449 176.468 176.094 -0.124 0.000 1.316 217 V CA 0.274 62.475 62.300 -0.165 0.000 1.060 217 V CB 0.775 32.398 31.823 -0.334 0.000 0.820 217 V HN 0.523 8.713 8.190 -0.000 0.000 0.447 218 S N -0.128 115.619 115.700 0.077 0.000 2.536 218 S HA 0.632 5.099 4.470 -0.005 0.000 0.298 218 S C 0.355 175.095 174.600 0.234 0.000 1.083 218 S CA -0.668 57.626 58.200 0.156 0.000 0.995 218 S CB 1.839 65.213 63.200 0.289 0.000 1.058 218 S HN 0.151 8.461 8.310 -0.000 0.000 0.488 219 M N 2.398 122.105 119.600 0.178 0.000 2.556 219 M HA 0.224 4.701 4.480 -0.005 0.000 0.245 219 M C 0.106 176.511 176.300 0.176 0.000 1.128 219 M CA 0.566 55.952 55.300 0.145 0.000 1.069 219 M CB -1.036 31.616 32.600 0.086 0.000 1.469 219 M HN 0.527 8.817 8.290 -0.000 0.000 0.494 220 K N 2.042 122.594 120.400 0.253 0.000 2.316 220 K HA 0.122 4.439 4.320 -0.005 0.000 0.289 220 K C -1.541 175.169 176.600 0.183 0.000 1.070 220 K CA -1.249 55.152 56.287 0.189 0.000 0.928 220 K CB 0.862 33.473 32.500 0.185 0.000 1.039 220 K HN -0.048 8.202 8.250 -0.000 0.000 0.480 221 P HA -0.091 4.329 4.420 -0.000 0.000 0.234 221 P C 0.034 177.372 177.300 0.063 0.000 1.167 221 P CA 0.852 64.022 63.100 0.118 0.000 0.763 221 P CB 0.414 32.165 31.700 0.086 0.000 0.835 222 E N -0.379 119.782 120.200 -0.064 0.000 2.204 222 E HA -0.037 4.310 4.350 -0.005 0.000 0.194 222 E C 0.411 176.899 176.600 -0.187 0.000 0.989 222 E CA 0.574 56.865 56.400 -0.182 0.000 0.824 222 E CB -0.669 28.813 29.700 -0.364 0.000 0.756 222 E HN 0.368 8.728 8.360 -0.000 0.000 0.477 223 F N 0.661 120.632 119.950 0.035 0.000 2.410 223 F HA 0.238 4.763 4.527 -0.004 0.000 0.348 223 F C 0.383 176.139 175.800 -0.074 0.000 1.106 223 F CA -1.003 56.965 58.000 -0.053 0.000 1.163 223 F CB 0.637 39.652 39.000 0.025 0.000 1.129 223 F HN -0.197 8.103 8.300 -0.000 0.000 0.516 224 L N 4.451 125.709 121.223 0.057 0.000 2.371 224 L HA 0.237 4.574 4.340 -0.005 0.000 0.272 224 L C -0.047 176.752 176.870 -0.118 0.000 1.124 224 L CA -0.363 54.478 54.840 0.002 0.000 0.816 224 L CB 0.375 42.394 42.059 -0.066 0.000 1.129 224 L HN 0.524 8.754 8.230 -0.000 0.000 0.448 225 H N 4.366 123.536 119.070 0.166 0.000 2.551 225 H HA 0.415 4.968 4.556 -0.006 0.000 0.321 225 H C -0.963 174.422 175.328 0.095 0.000 1.028 225 H CA -0.732 55.414 56.048 0.163 0.000 1.215 225 H CB 1.739 31.598 29.762 0.163 0.000 1.414 225 H HN 0.248 8.528 8.280 -0.000 0.000 0.480 226 L N 2.867 124.180 121.223 0.150 0.000 2.322 226 L HA 0.292 4.629 4.340 -0.005 0.000 0.281 226 L C 0.434 177.383 176.870 0.131 0.000 1.014 226 L CA -0.249 54.653 54.840 0.104 0.000 0.815 226 L CB 1.891 43.969 42.059 0.032 0.000 1.247 226 L HN 0.530 8.760 8.230 -0.000 0.000 0.421 227 T N 4.346 118.975 114.554 0.124 0.000 2.864 227 T HA 0.470 4.817 4.350 -0.005 0.000 0.310 227 T C -2.570 172.193 174.700 0.105 0.000 1.040 227 T CA -1.095 61.074 62.100 0.116 0.000 0.977 227 T CB 1.575 70.511 68.868 0.113 0.000 0.976 227 T HN 0.296 8.536 8.240 -0.000 0.000 0.459 228 P HA 0.421 4.841 4.420 -0.000 0.000 0.282 228 P C 0.496 177.855 177.300 0.099 0.000 1.287 228 P CA -0.091 63.064 63.100 0.092 0.000 0.792 228 P CB 0.523 32.270 31.700 0.079 0.000 1.163 229 G N -1.571 107.305 108.800 0.126 0.000 2.326 229 G HA2 -0.076 3.881 3.960 -0.005 0.000 0.286 229 G HA3 -0.076 3.881 3.960 -0.005 0.000 0.286 229 G C -0.546 174.554 174.900 0.334 0.000 1.096 229 G CA -0.245 44.941 45.100 0.143 0.000 1.003 229 G HN 0.475 8.765 8.290 -0.000 0.000 0.503 230 V N 1.313 121.453 119.914 0.376 0.000 2.531 230 V HA 0.808 4.925 4.120 -0.005 0.000 0.301 230 V C 0.121 176.266 176.094 0.087 0.000 1.034 230 V CA 0.018 62.464 62.300 0.244 0.000 0.865 230 V CB 1.804 33.715 31.823 0.148 0.000 0.995 230 V HN 1.003 9.193 8.190 -0.000 0.000 0.424 231 Q N 3.810 123.658 119.800 0.079 0.000 2.511 231 Q HA 0.611 4.948 4.340 -0.005 0.000 0.289 231 Q C -0.456 175.643 176.000 0.165 0.000 1.021 231 Q CA -0.942 54.893 55.803 0.053 0.000 0.785 231 Q CB 2.054 30.538 28.738 -0.424 0.000 1.472 231 Q HN 0.370 8.639 8.270 -0.000 0.000 0.411 232 L N -0.265 121.047 121.223 0.148 0.000 2.093 232 L HA 0.026 4.363 4.340 -0.005 0.000 0.208 232 L C 0.542 177.408 176.870 -0.006 0.000 1.085 232 L CA 0.988 55.810 54.840 -0.030 0.000 0.755 232 L CB -0.073 41.855 42.059 -0.219 0.000 0.904 232 L HN 0.643 8.873 8.230 -0.000 0.000 0.435 233 E N 0.502 120.700 120.200 -0.002 0.000 2.283 233 E HA 0.362 4.709 4.350 -0.005 0.000 0.271 233 E C -0.158 176.468 176.600 0.042 0.000 1.031 233 E CA -0.269 56.136 56.400 0.009 0.000 0.868 233 E CB 1.304 31.004 29.700 -0.001 0.000 1.094 233 E HN 0.084 8.444 8.360 -0.000 0.000 0.401 234 A N 1.248 124.100 122.820 0.053 0.000 2.520 234 A HA 0.490 4.807 4.320 -0.005 0.000 0.235 234 A C 0.707 178.356 177.584 0.109 0.000 1.065 234 A CA 0.995 53.082 52.037 0.083 0.000 0.764 234 A CB 0.044 19.078 19.000 0.058 0.000 1.002 234 A HN 0.681 8.831 8.150 -0.000 0.000 0.502 235 G N -0.681 108.216 108.800 0.161 0.000 2.352 235 G HA2 0.605 4.562 3.960 -0.005 0.000 0.283 235 G HA3 0.605 4.562 3.960 -0.005 0.000 0.283 235 G C -0.309 174.738 174.900 0.244 0.000 1.308 235 G CA 0.104 45.314 45.100 0.184 0.000 0.892 235 G HN 2.126 10.416 8.290 -0.000 0.000 0.504 236 G N -1.045 107.879 108.800 0.207 0.000 2.731 236 G HA2 0.766 4.722 3.960 -0.005 0.000 0.309 236 G HA3 0.766 4.722 3.960 -0.005 0.000 0.309 236 G C -1.430 173.538 174.900 0.114 0.000 1.273 236 G CA 0.901 46.026 45.100 0.041 0.000 0.798 236 G HN 1.357 9.647 8.290 -0.000 0.000 0.509 237 D N -2.028 118.376 120.400 0.006 0.000 2.689 237 D HA 0.257 4.894 4.640 -0.005 0.000 0.255 237 D C 0.804 177.109 176.300 0.008 0.000 1.113 237 D CA -0.519 53.508 54.000 0.045 0.000 1.115 237 D CB 0.407 41.240 40.800 0.054 0.000 1.334 237 D HN 0.336 8.706 8.370 -0.000 0.000 0.621 238 N N -0.525 118.181 118.700 0.010 0.000 2.515 238 N HA -0.045 4.692 4.740 -0.005 0.000 0.185 238 N C 0.549 176.051 175.510 -0.014 0.000 1.109 238 N CA 0.364 53.414 53.050 -0.001 0.000 0.903 238 N CB 0.009 38.498 38.487 0.003 0.000 0.969 238 N HN 0.444 8.824 8.380 -0.000 0.000 0.450 239 L N -0.507 120.702 121.223 -0.023 0.000 3.255 239 L HA 0.426 4.763 4.340 -0.005 0.000 0.293 239 L C 0.860 177.701 176.870 -0.047 0.000 1.302 239 L CA -0.139 54.682 54.840 -0.031 0.000 0.977 239 L CB 0.510 42.552 42.059 -0.029 0.000 1.390 239 L HN 0.231 8.461 8.230 -0.000 0.000 0.588 240 G N -0.155 108.612 108.800 -0.055 0.000 2.175 240 G HA2 -0.323 3.634 3.960 -0.005 0.000 0.244 240 G HA3 -0.323 3.634 3.960 -0.005 0.000 0.244 240 G C 0.248 175.084 174.900 -0.106 0.000 0.982 240 G CA 0.074 45.133 45.100 -0.069 0.000 0.641 240 G HN 0.407 8.697 8.290 -0.000 0.000 0.527 241 Q N 0.954 120.669 119.800 -0.142 0.000 2.364 241 Q HA 0.583 4.920 4.340 -0.005 0.000 0.267 241 Q C 0.250 176.034 176.000 -0.361 0.000 0.999 241 Q CA 0.642 56.287 55.803 -0.263 0.000 0.886 241 Q CB 0.323 28.872 28.738 -0.316 0.000 1.243 241 Q HN 0.580 8.850 8.270 -0.000 0.000 0.415 242 Q N 2.639 122.196 119.800 -0.404 0.000 2.353 242 Q HA 0.408 4.745 4.340 -0.005 0.000 0.268 242 Q C -1.342 174.404 176.000 -0.425 0.000 1.045 242 Q CA -0.579 55.026 55.803 -0.329 0.000 0.811 242 Q CB 1.870 30.524 28.738 -0.141 0.000 1.305 242 Q HN 0.643 8.913 8.270 -0.000 0.000 0.447 243 Y N 0.804 121.118 120.300 0.023 0.000 2.387 243 Y HA 0.428 4.976 4.550 -0.003 0.000 0.336 243 Y C 0.284 176.207 175.900 0.039 0.000 1.067 243 Y CA -0.755 57.366 58.100 0.035 0.000 1.114 243 Y CB 1.582 40.067 38.460 0.043 0.000 1.208 243 Y HN 0.512 8.792 8.280 -0.000 0.000 0.458 244 N N 0.297 119.137 118.700 0.233 0.000 2.381 244 N HA 0.338 5.075 4.740 -0.005 0.000 0.294 244 N C -1.110 174.494 175.510 0.157 0.000 1.216 244 N CA -0.612 52.530 53.050 0.153 0.000 0.803 244 N CB 2.092 40.640 38.487 0.102 0.000 1.372 244 N HN 0.641 9.021 8.380 -0.000 0.000 0.500 245 S N -0.072 115.697 115.700 0.115 0.000 2.617 245 S HA 0.311 4.778 4.470 -0.005 0.000 0.269 245 S C -1.873 172.797 174.600 0.117 0.000 1.292 245 S CA -0.899 57.366 58.200 0.109 0.000 1.010 245 S CB 1.720 64.959 63.200 0.066 0.000 0.944 245 S HN 0.270 8.580 8.310 -0.000 0.000 0.536 246 P HA -0.155 4.265 4.420 -0.000 0.000 0.216 246 P C 1.636 178.995 177.300 0.099 0.000 1.150 246 P CA 1.268 64.451 63.100 0.138 0.000 0.837 246 P CB 0.021 31.814 31.700 0.156 0.000 0.786 247 Q N -0.250 119.593 119.800 0.071 0.000 2.079 247 Q HA -0.238 4.099 4.340 -0.005 0.000 0.200 247 Q C 2.208 178.235 176.000 0.046 0.000 0.974 247 Q CA 1.557 57.391 55.803 0.050 0.000 0.840 247 Q CB -0.257 28.500 28.738 0.031 0.000 0.898 247 Q HN 0.067 8.337 8.270 -0.000 0.000 0.430 248 E N -0.116 120.114 120.200 0.050 0.000 2.051 248 E HA -0.173 4.174 4.350 -0.005 0.000 0.192 248 E C 1.859 178.487 176.600 0.047 0.000 0.991 248 E CA 2.021 58.447 56.400 0.043 0.000 0.799 248 E CB -0.221 29.508 29.700 0.048 0.000 0.748 248 E HN 0.344 8.704 8.360 -0.000 0.000 0.449 249 V N -1.221 118.733 119.914 0.066 0.000 2.649 249 V HA -0.023 4.094 4.120 -0.005 0.000 0.248 249 V C 2.134 178.269 176.094 0.069 0.000 1.054 249 V CA 1.072 63.412 62.300 0.067 0.000 1.073 249 V CB -0.361 31.513 31.823 0.086 0.000 0.699 249 V HN 0.190 8.380 8.190 -0.000 0.000 0.463 250 I N 1.897 122.518 120.570 0.085 0.000 2.385 250 I HA 0.155 4.322 4.170 -0.005 0.000 0.244 250 I C 2.756 178.910 176.117 0.062 0.000 1.089 250 I CA 1.669 63.028 61.300 0.098 0.000 1.410 250 I CB -1.872 36.211 38.000 0.137 0.000 1.117 250 I HN 0.392 8.602 8.210 -0.000 0.000 0.429 251 G N 1.300 110.127 108.800 0.045 0.000 2.434 251 G HA2 -0.210 3.747 3.960 -0.005 0.000 0.214 251 G HA3 -0.210 3.747 3.960 -0.005 0.000 0.214 251 G C 1.811 176.712 174.900 0.002 0.000 1.202 251 G CA 0.563 45.671 45.100 0.013 0.000 0.788 251 G HN 0.305 8.595 8.290 -0.000 0.000 0.539 252 K N -0.313 120.092 120.400 0.008 0.000 2.166 252 K HA 0.172 4.488 4.320 -0.005 0.000 0.201 252 K C 2.495 179.091 176.600 -0.007 0.000 1.052 252 K CA 0.329 56.615 56.287 -0.001 0.000 0.969 252 K CB 0.109 32.611 32.500 0.004 0.000 0.761 252 K HN 0.080 8.330 8.250 -0.000 0.000 0.459 253 R N -0.496 120.004 120.500 -0.001 0.000 2.312 253 R HA 0.120 4.457 4.340 -0.005 0.000 0.205 253 R C 0.644 176.919 176.300 -0.041 0.000 0.904 253 R CA 0.613 56.703 56.100 -0.016 0.000 1.052 253 R CB 0.798 31.096 30.300 -0.003 0.000 1.014 253 R HN 0.348 8.618 8.270 -0.000 0.000 0.503 254 G N 1.289 110.075 108.800 -0.023 0.000 2.143 254 G HA2 -0.304 3.653 3.960 -0.005 0.000 0.249 254 G HA3 -0.304 3.653 3.960 -0.005 0.000 0.249 254 G C 0.168 175.041 174.900 -0.044 0.000 0.981 254 G CA 0.498 45.575 45.100 -0.039 0.000 0.665 254 G HN 0.358 8.648 8.290 -0.000 0.000 0.528 255 S N -0.831 114.872 115.700 0.005 0.000 2.608 255 S HA 0.485 4.952 4.470 -0.005 0.000 0.261 255 S C 1.198 175.908 174.600 0.183 0.000 1.314 255 S CA 0.466 58.719 58.200 0.087 0.000 0.992 255 S CB 0.701 63.967 63.200 0.109 0.000 0.935 255 S HN 0.211 8.521 8.310 -0.000 0.000 0.564 256 D N 0.621 121.169 120.400 0.247 0.000 2.394 256 D HA 0.308 4.944 4.640 -0.005 0.000 0.226 256 D C -0.076 176.332 176.300 0.179 0.000 0.990 256 D CA 0.765 54.935 54.000 0.283 0.000 0.902 256 D CB 0.328 41.293 40.800 0.276 0.000 1.038 256 D HN 0.413 8.783 8.370 -0.000 0.000 0.499 257 I N 1.779 122.423 120.570 0.124 0.000 2.569 257 I HA 0.240 4.407 4.170 -0.005 0.000 0.290 257 I C -0.479 175.697 176.117 0.099 0.000 1.088 257 I CA -0.955 60.389 61.300 0.073 0.000 1.047 257 I CB 2.851 40.855 38.000 0.007 0.000 1.237 257 I HN -0.171 8.039 8.210 -0.000 0.000 0.421 258 I N 4.221 124.854 120.570 0.105 0.000 2.396 258 I HA 0.559 4.725 4.170 -0.005 0.000 0.292 258 I C -0.711 175.444 176.117 0.062 0.000 0.999 258 I CA -0.385 60.974 61.300 0.099 0.000 1.310 258 I CB 1.183 39.259 38.000 0.126 0.000 1.404 258 I HN 0.385 8.595 8.210 -0.000 0.000 0.496 259 I N 6.381 126.985 120.570 0.057 0.000 2.339 259 I HA 0.437 4.604 4.170 -0.005 0.000 0.290 259 I C -0.646 175.455 176.117 -0.027 0.000 0.994 259 I CA -0.772 60.545 61.300 0.028 0.000 1.191 259 I CB 1.783 39.824 38.000 0.069 0.000 1.343 259 I HN 0.386 8.596 8.210 -0.000 0.000 0.458 260 V N 5.662 125.512 119.914 -0.108 0.000 2.525 260 V HA 0.524 4.641 4.120 -0.005 0.000 0.299 260 V C 0.503 176.480 176.094 -0.195 0.000 1.034 260 V CA -0.319 61.843 62.300 -0.229 0.000 0.863 260 V CB 1.455 32.954 31.823 -0.540 0.000 0.999 260 V HN 0.953 9.143 8.190 -0.000 0.000 0.423 261 G N 3.226 111.944 108.800 -0.136 0.000 2.601 261 G HA2 0.118 4.075 3.960 -0.005 0.000 0.214 261 G HA3 0.118 4.075 3.960 -0.005 0.000 0.214 261 G C 1.078 175.914 174.900 -0.107 0.000 2.067 261 G CA -0.112 44.935 45.100 -0.089 0.000 0.774 261 G HN 0.547 8.837 8.290 -0.000 0.000 0.729 262 R N 0.307 120.770 120.500 -0.062 0.000 2.117 262 R HA -0.069 4.267 4.340 -0.005 0.000 0.243 262 R C 2.665 178.903 176.300 -0.103 0.000 1.143 262 R CA 1.238 57.303 56.100 -0.058 0.000 0.968 262 R CB -0.644 29.654 30.300 -0.004 0.000 0.863 262 R HN 0.406 8.676 8.270 -0.000 0.000 0.444 263 G N 0.624 109.309 108.800 -0.191 0.000 2.517 263 G HA2 -0.251 3.706 3.960 -0.005 0.000 0.222 263 G HA3 -0.251 3.706 3.960 -0.005 0.000 0.222 263 G C 1.318 176.188 174.900 -0.051 0.000 1.109 263 G CA 1.027 46.036 45.100 -0.152 0.000 0.746 263 G HN 0.253 8.543 8.290 -0.000 0.000 0.576 264 I N -0.078 120.403 120.570 -0.147 0.000 2.900 264 I HA 0.108 4.275 4.170 -0.005 0.000 0.251 264 I C 2.283 178.373 176.117 -0.044 0.000 1.102 264 I CA -0.188 61.074 61.300 -0.064 0.000 1.457 264 I CB -0.031 37.898 38.000 -0.117 0.000 1.285 264 I HN -0.057 8.153 8.210 -0.000 0.000 0.459 265 I N 0.765 121.297 120.570 -0.063 0.000 2.264 265 I HA -0.246 3.921 4.170 -0.005 0.000 0.248 265 I C 2.340 178.442 176.117 -0.026 0.000 1.111 265 I CA 1.641 62.915 61.300 -0.044 0.000 1.382 265 I CB -1.312 36.661 38.000 -0.044 0.000 1.060 265 I HN 0.151 8.361 8.210 -0.000 0.000 0.418 266 S N 0.310 115.996 115.700 -0.023 0.000 2.496 266 S HA 0.237 4.703 4.470 -0.005 0.000 0.224 266 S C 1.184 175.781 174.600 -0.006 0.000 0.996 266 S CA 0.148 58.340 58.200 -0.013 0.000 0.927 266 S CB -0.115 63.079 63.200 -0.011 0.000 0.774 266 S HN 0.468 8.778 8.310 -0.000 0.000 0.524 267 A N 1.139 123.958 122.820 -0.001 0.000 2.466 267 A HA 0.631 4.948 4.320 -0.005 0.000 0.238 267 A C 1.546 179.131 177.584 0.001 0.000 1.074 267 A CA 0.332 52.373 52.037 0.007 0.000 0.774 267 A CB -0.050 18.963 19.000 0.022 0.000 1.015 267 A HN 0.343 8.493 8.150 -0.000 0.000 0.498 268 A N 0.729 123.550 122.820 0.001 0.000 1.855 268 A HA -0.012 4.305 4.320 -0.005 0.000 0.215 268 A C 1.053 178.635 177.584 -0.003 0.000 1.191 268 A CA 1.870 53.906 52.037 -0.002 0.000 0.613 268 A CB -0.343 18.656 19.000 -0.001 0.000 0.829 268 A HN 0.810 8.960 8.150 -0.000 0.000 0.442 269 D N -1.355 119.045 120.400 -0.001 0.000 2.467 269 D HA 0.417 5.054 4.640 -0.005 0.000 0.220 269 D C 0.868 177.169 176.300 0.001 0.000 1.103 269 D CA -0.375 53.623 54.000 -0.002 0.000 0.886 269 D CB 0.720 41.518 40.800 -0.002 0.000 1.025 269 D HN 0.044 8.414 8.370 -0.000 0.000 0.514 270 R N 2.122 122.618 120.500 -0.006 0.000 2.115 270 R HA 0.000 4.337 4.340 -0.005 0.000 0.230 270 R C 1.747 178.042 176.300 -0.007 0.000 1.111 270 R CA 0.449 56.544 56.100 -0.008 0.000 0.976 270 R CB -0.272 30.013 30.300 -0.025 0.000 0.870 270 R HN 0.397 8.667 8.270 -0.000 0.000 0.445 271 L N 1.182 122.396 121.223 -0.015 0.000 2.017 271 L HA -0.144 4.193 4.340 -0.005 0.000 0.208 271 L C 2.058 178.927 176.870 -0.002 0.000 1.073 271 L CA 2.005 56.834 54.840 -0.018 0.000 0.745 271 L CB -0.764 41.279 42.059 -0.026 0.000 0.894 271 L HN 0.283 8.513 8.230 -0.000 0.000 0.432 272 E N -0.547 119.655 120.200 0.002 0.000 2.058 272 E HA -0.266 4.081 4.350 -0.005 0.000 0.194 272 E C 2.045 178.659 176.600 0.025 0.000 0.997 272 E CA 1.478 57.882 56.400 0.007 0.000 0.801 272 E CB -0.228 29.473 29.700 0.002 0.000 0.746 272 E HN 0.585 8.945 8.360 -0.000 0.000 0.450 273 A N 1.226 124.074 122.820 0.047 0.000 1.877 273 A HA -0.099 4.217 4.320 -0.005 0.000 0.216 273 A C 2.474 180.178 177.584 0.199 0.000 1.186 273 A CA 2.000 54.105 52.037 0.114 0.000 0.620 273 A CB -1.007 18.068 19.000 0.124 0.000 0.822 273 A HN 0.458 8.608 8.150 -0.000 0.000 0.443 274 A N -0.526 122.366 122.820 0.121 0.000 1.908 274 A HA -0.187 4.130 4.320 -0.005 0.000 0.218 274 A C 1.961 179.608 177.584 0.105 0.000 1.181 274 A CA 1.796 53.897 52.037 0.107 0.000 0.627 274 A CB -0.489 18.518 19.000 0.011 0.000 0.818 274 A HN 0.472 8.622 8.150 -0.000 0.000 0.445 275 E N -0.403 119.829 120.200 0.054 0.000 2.110 275 E HA -0.180 4.167 4.350 -0.005 0.000 0.193 275 E C 2.092 178.714 176.600 0.036 0.000 0.988 275 E CA 1.289 57.710 56.400 0.034 0.000 0.804 275 E CB -0.397 29.309 29.700 0.010 0.000 0.745 275 E HN 0.737 9.097 8.360 -0.000 0.000 0.458 276 M N -0.655 118.953 119.600 0.013 0.000 2.086 276 M HA -0.190 4.287 4.480 -0.005 0.000 0.261 276 M C 2.162 178.401 176.300 -0.101 0.000 1.067 276 M CA 1.537 56.792 55.300 -0.075 0.000 1.116 276 M CB -0.506 31.995 32.600 -0.166 0.000 1.348 276 M HN 0.115 8.405 8.290 -0.000 0.000 0.407 277 Y N -0.338 119.974 120.300 0.020 0.000 2.242 277 Y HA -0.188 4.358 4.550 -0.006 0.000 0.291 277 Y C 2.686 178.626 175.900 0.066 0.000 1.137 277 Y CA 1.498 59.618 58.100 0.033 0.000 1.181 277 Y CB -0.351 38.117 38.460 0.013 0.000 0.989 277 Y HN 0.172 8.452 8.280 -0.000 0.000 0.527 278 R N 0.864 121.481 120.500 0.194 0.000 2.073 278 R HA -0.184 4.152 4.340 -0.005 0.000 0.234 278 R C 1.971 178.392 176.300 0.202 0.000 1.134 278 R CA 1.833 58.033 56.100 0.166 0.000 0.952 278 R CB -0.108 30.244 30.300 0.086 0.000 0.850 278 R HN 0.261 8.531 8.270 -0.000 0.000 0.433 279 K N -0.202 120.283 120.400 0.143 0.000 2.097 279 K HA -0.049 4.267 4.320 -0.005 0.000 0.205 279 K C 2.114 178.819 176.600 0.174 0.000 1.050 279 K CA 1.168 57.553 56.287 0.162 0.000 0.938 279 K CB -0.102 32.451 32.500 0.088 0.000 0.718 279 K HN 0.213 8.463 8.250 -0.000 0.000 0.442 280 A N 1.726 124.611 122.820 0.109 0.000 1.865 280 A HA -0.167 4.149 4.320 -0.005 0.000 0.217 280 A C 2.413 180.089 177.584 0.155 0.000 1.191 280 A CA 2.073 54.164 52.037 0.089 0.000 0.623 280 A CB -0.872 18.137 19.000 0.014 0.000 0.826 280 A HN 0.333 8.483 8.150 -0.000 0.000 0.444 281 A N -1.782 121.164 122.820 0.210 0.000 1.930 281 A HA -0.159 4.158 4.320 -0.005 0.000 0.217 281 A C 2.136 179.906 177.584 0.311 0.000 1.175 281 A CA 1.314 53.496 52.037 0.242 0.000 0.627 281 A CB -0.832 18.320 19.000 0.253 0.000 0.815 281 A HN 0.844 8.994 8.150 -0.000 0.000 0.443 282 W N 0.662 122.068 121.300 0.177 0.000 2.379 282 W HA -0.108 4.549 4.660 -0.005 0.000 0.307 282 W C 1.856 178.520 176.519 0.242 0.000 1.200 282 W CA 1.782 59.272 57.345 0.242 0.000 1.297 282 W CB -0.070 29.502 29.460 0.187 0.000 1.140 282 W HN 0.372 8.552 8.180 -0.000 0.000 0.507 283 E N 0.409 120.740 120.200 0.218 0.000 2.150 283 E HA -0.141 4.206 4.350 -0.005 0.000 0.193 283 E C 2.227 178.818 176.600 -0.015 0.000 0.985 283 E CA 1.217 57.658 56.400 0.068 0.000 0.814 283 E CB -0.424 29.340 29.700 0.105 0.000 0.752 283 E HN 0.277 8.637 8.360 -0.000 0.000 0.466 284 A N 0.624 123.467 122.820 0.038 0.000 1.902 284 A HA -0.217 4.100 4.320 -0.005 0.000 0.217 284 A C 2.109 179.679 177.584 -0.023 0.000 1.181 284 A CA 1.554 53.602 52.037 0.018 0.000 0.623 284 A CB -0.814 18.227 19.000 0.067 0.000 0.818 284 A HN 0.416 8.566 8.150 -0.000 0.000 0.443 285 Y N 0.635 120.835 120.300 -0.166 0.000 2.114 285 Y HA -0.165 4.382 4.550 -0.006 0.000 0.284 285 Y C 1.886 177.554 175.900 -0.388 0.000 1.143 285 Y CA 1.825 59.751 58.100 -0.290 0.000 1.135 285 Y CB -0.556 37.679 38.460 -0.376 0.000 0.980 285 Y HN 0.183 8.463 8.280 -0.000 0.000 0.499 286 L N -0.281 120.462 121.223 -0.800 0.000 2.043 286 L HA -0.284 4.053 4.340 -0.005 0.000 0.212 286 L C 2.534 179.144 176.870 -0.434 0.000 1.075 286 L CA 1.781 56.183 54.840 -0.731 0.000 0.752 286 L CB -0.820 40.979 42.059 -0.432 0.000 0.891 286 L HN 0.231 8.461 8.230 -0.000 0.000 0.432 287 S N -0.949 114.585 115.700 -0.275 0.000 2.402 287 S HA -0.153 4.314 4.470 -0.005 0.000 0.229 287 S C 2.055 176.549 174.600 -0.178 0.000 1.021 287 S CA 0.957 59.052 58.200 -0.175 0.000 0.974 287 S CB -0.195 62.944 63.200 -0.103 0.000 0.800 287 S HN 0.339 8.649 8.310 -0.000 0.000 0.484 288 R N 0.625 121.000 120.500 -0.209 0.000 2.119 288 R HA 0.164 4.501 4.340 -0.005 0.000 0.222 288 R C 2.192 178.355 176.300 -0.227 0.000 1.088 288 R CA 0.584 56.580 56.100 -0.174 0.000 0.984 288 R CB -0.191 30.031 30.300 -0.130 0.000 0.884 288 R HN 0.351 8.621 8.270 -0.000 0.000 0.447 289 L N 0.575 121.574 121.223 -0.373 0.000 2.109 289 L HA 0.048 4.385 4.340 -0.005 0.000 0.207 289 L C 1.237 177.954 176.870 -0.254 0.000 1.086 289 L CA 0.706 55.312 54.840 -0.391 0.000 0.760 289 L CB -0.749 40.904 42.059 -0.677 0.000 0.910 289 L HN 0.301 8.531 8.230 -0.000 0.000 0.437 290 G N 0.000 108.661 108.800 -0.231 0.000 5.446 290 G HA2 0.000 3.957 3.960 -0.005 0.000 0.244 290 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 290 G CA 0.000 45.006 45.100 -0.157 0.000 0.502 290 G HN 0.000 8.290 8.290 -0.000 0.000 0.925