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 3lh1_1_A DATA FIRST_RESID 39 DATA SEQUENCE STDETPASYN LAVRRAAPAV VNVYNRGLXX XXXXXLEIRT LGSGVIMDQR DATA SEQUENCE GYIITNKHVI NDADQIIVAL QDGRVFEALL VGSDSLTDLA VLKINATGGL DATA SEQUENCE PTIPINARRV PHIGDVVLAI GNPXXLGQTI TQGIISATGR IGLNPTGRQN DATA SEQUENCE FLATDASINH GNSGGALVNS LGELMGINTL SXXXXXXXXX PEGIGFAIPF DATA SEQUENCE QLATKIMDKL IRDGRVI 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 39 S HA 0.000 4.464 4.470 -0.010 0.000 0.327 39 S C 0.000 174.595 174.600 -0.009 0.000 1.055 39 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 39 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 40 T N 1.527 116.077 114.554 -0.007 0.000 2.759 40 T HA -0.205 4.140 4.350 -0.007 0.000 0.269 40 T C 0.884 175.579 174.700 -0.008 0.000 1.042 40 T CA 2.030 64.126 62.100 -0.007 0.000 1.140 40 T CB 0.101 68.966 68.868 -0.006 0.000 0.864 40 T HN 0.105 8.341 8.240 -0.007 0.000 0.455 41 D N 1.255 121.650 120.400 -0.008 0.000 2.120 41 D HA 0.018 4.654 4.640 -0.008 0.000 0.202 41 D C 0.076 176.370 176.300 -0.010 0.000 0.972 41 D CA 0.652 54.647 54.000 -0.008 0.000 0.837 41 D CB -0.391 40.404 40.800 -0.007 0.000 0.989 41 D HN 0.103 8.450 8.370 -0.008 0.019 0.469 42 E N -0.341 119.852 120.200 -0.012 0.000 2.421 42 E HA -0.040 4.302 4.350 -0.014 0.000 0.253 42 E C -0.663 175.926 176.600 -0.018 0.000 1.277 42 E CA -0.278 56.113 56.400 -0.015 0.000 0.968 42 E CB 0.384 30.075 29.700 -0.015 0.000 1.040 42 E HN -0.105 8.248 8.360 -0.011 0.000 0.512 43 T N -2.287 112.253 114.554 -0.023 0.000 2.863 43 T HA 0.353 4.687 4.350 -0.027 0.000 0.285 43 T C -1.805 172.871 174.700 -0.039 0.000 1.009 43 T CA -2.976 59.106 62.100 -0.030 0.000 0.989 43 T CB 0.827 69.676 68.868 -0.031 0.000 1.004 43 T HN -0.166 8.059 8.240 -0.024 0.000 0.455 44 P HA 0.050 4.440 4.420 -0.050 0.000 0.271 44 P C -1.094 176.152 177.300 -0.089 0.000 1.218 44 P CA -0.304 62.762 63.100 -0.057 0.000 0.780 44 P CB 0.446 32.117 31.700 -0.049 0.000 0.901 45 A N 2.071 124.826 122.820 -0.109 0.000 2.492 45 A HA -0.007 4.203 4.320 -0.183 0.000 0.254 45 A C -0.361 177.061 177.584 -0.271 0.000 1.091 45 A CA 0.607 52.534 52.037 -0.183 0.000 0.768 45 A CB -0.034 18.869 19.000 -0.161 0.000 1.028 45 A HN 0.085 8.181 8.150 -0.089 0.000 0.498 46 S N 1.536 116.995 115.700 -0.401 0.000 2.547 46 S HA 0.112 4.345 4.470 -0.395 0.000 0.270 46 S C -0.875 173.400 174.600 -0.542 0.000 1.150 46 S CA -0.237 57.724 58.200 -0.398 0.000 0.850 46 S CB 0.910 64.011 63.200 -0.165 0.000 1.118 46 S HN 0.043 8.106 8.310 -0.412 0.000 0.461 47 Y N 1.474 121.773 120.300 -0.002 0.000 2.720 47 Y HA 0.209 4.756 4.550 -0.004 0.000 0.268 47 Y C -0.093 175.805 175.900 -0.004 0.000 1.142 47 Y CA -0.723 57.375 58.100 -0.003 0.000 1.193 47 Y CB -0.093 38.364 38.460 -0.004 0.000 1.176 47 Y HN 0.183 8.417 8.280 -0.076 0.000 0.542 48 N N 1.613 120.353 118.700 0.066 0.000 2.381 48 N HA -0.306 4.469 4.740 0.058 0.000 0.182 48 N C 1.004 176.539 175.510 0.042 0.000 1.025 48 N CA 2.875 55.953 53.050 0.046 0.000 0.888 48 N CB 0.346 38.842 38.487 0.014 0.000 0.965 48 N HN -0.475 7.843 8.380 0.009 0.067 0.438 49 L N 0.029 121.277 121.223 0.042 0.000 1.989 49 L HA -0.307 4.046 4.340 0.023 0.000 0.211 49 L C 0.887 177.780 176.870 0.040 0.000 1.071 49 L CA 3.200 58.061 54.840 0.035 0.000 0.749 49 L CB -0.444 41.635 42.059 0.034 0.000 0.890 49 L HN -0.262 7.969 8.230 0.040 0.023 0.431 50 A N -3.101 119.757 122.820 0.063 0.000 1.978 50 A HA -0.314 4.020 4.320 0.024 0.000 0.220 50 A C 2.206 179.807 177.584 0.030 0.000 1.170 50 A CA 2.788 54.850 52.037 0.042 0.000 0.636 50 A CB -1.220 17.809 19.000 0.050 0.000 0.810 50 A HN 0.109 8.315 8.150 0.093 0.000 0.448 51 V N -1.700 118.240 119.914 0.043 0.000 2.358 51 V HA -0.578 3.557 4.120 0.026 0.000 0.246 51 V C 2.380 178.487 176.094 0.022 0.000 1.047 51 V CA 4.071 66.390 62.300 0.032 0.000 1.035 51 V CB -0.317 31.530 31.823 0.040 0.000 0.658 51 V HN -0.698 7.420 8.190 0.059 0.108 0.452 52 R N -0.909 119.604 120.500 0.022 0.000 2.081 52 R HA -0.293 4.057 4.340 0.016 0.000 0.235 52 R C 2.188 178.495 176.300 0.011 0.000 1.131 52 R CA 3.355 59.464 56.100 0.016 0.000 0.960 52 R CB -0.279 30.029 30.300 0.014 0.000 0.856 52 R HN -0.285 8.000 8.270 0.025 0.000 0.436 53 R N -3.478 117.027 120.500 0.009 0.000 2.073 53 R HA -0.155 4.186 4.340 0.002 0.000 0.229 53 R C 1.032 177.330 176.300 -0.003 0.000 1.120 53 R CA 2.772 58.873 56.100 0.001 0.000 0.967 53 R CB 0.264 30.562 30.300 -0.004 0.000 0.862 53 R HN -0.597 7.679 8.270 0.011 0.000 0.436 54 A N -3.633 119.185 122.820 -0.003 0.000 1.993 54 A HA 0.156 4.468 4.320 -0.012 0.000 0.207 54 A C 1.449 179.033 177.584 -0.000 0.000 1.224 54 A CA 1.116 53.148 52.037 -0.008 0.000 0.749 54 A CB 0.540 19.529 19.000 -0.018 0.000 0.884 54 A HN -0.481 7.669 8.150 0.001 0.000 0.467 55 A N 0.089 122.913 122.820 0.007 0.000 1.917 55 A HA -0.148 4.179 4.320 0.011 0.000 0.219 55 A C -0.992 176.601 177.584 0.015 0.000 1.182 55 A CA 4.246 56.290 52.037 0.012 0.000 0.633 55 A CB -2.444 16.566 19.000 0.016 0.000 0.819 55 A HN -0.147 8.008 8.150 0.008 0.000 0.448 56 P HA -0.261 4.174 4.420 0.026 0.000 0.219 56 P C 0.046 177.359 177.300 0.022 0.000 1.146 56 P CA 2.190 65.302 63.100 0.022 0.000 0.808 56 P CB -0.405 31.307 31.700 0.020 0.000 0.779 57 A N -5.293 117.535 122.820 0.013 0.000 2.123 57 A HA 0.056 4.383 4.320 0.010 0.000 0.214 57 A C -0.970 176.620 177.584 0.010 0.000 1.152 57 A CA 0.001 52.043 52.037 0.009 0.000 0.728 57 A CB 0.601 19.601 19.000 0.001 0.000 0.814 57 A HN -0.662 7.463 8.150 0.009 0.030 0.464 58 V N -0.813 119.108 119.914 0.012 0.000 2.498 58 V HA 0.275 4.552 4.120 0.006 -0.154 0.279 58 V C -0.305 175.798 176.094 0.015 0.000 1.048 58 V CA 0.335 62.641 62.300 0.009 0.000 0.967 58 V CB 0.711 32.539 31.823 0.007 0.000 0.988 58 V HN -0.781 7.275 8.190 0.012 0.142 0.473 59 V N -0.723 119.197 119.914 0.009 0.000 3.126 59 V HA 0.597 4.738 4.120 0.034 0.000 0.314 59 V C -1.713 174.370 176.094 -0.020 0.000 1.138 59 V CA -3.933 58.378 62.300 0.018 0.000 1.034 59 V CB 3.403 35.248 31.823 0.036 0.000 1.075 59 V HN 0.016 8.206 8.190 0.001 0.000 0.442 60 N N -0.538 118.145 118.700 -0.029 0.000 2.495 60 N HA 0.372 5.118 4.740 -0.201 -0.126 0.280 60 N C -0.772 174.591 175.510 -0.245 0.000 1.168 60 N CA -0.030 52.907 53.050 -0.189 0.000 0.978 60 N CB 2.524 40.861 38.487 -0.249 0.000 1.191 60 N HN -0.313 8.083 8.380 0.027 0.000 0.497 61 V N 0.531 120.191 119.914 -0.424 0.000 2.577 61 V HA 0.575 4.802 4.120 -0.131 -0.185 0.303 61 V C -1.564 174.285 176.094 -0.409 0.000 1.042 61 V CA -1.057 61.081 62.300 -0.271 0.000 0.872 61 V CB 2.490 34.233 31.823 -0.133 0.000 0.998 61 V HN 0.073 7.967 8.190 -0.493 0.000 0.423 62 Y N 4.615 124.929 120.300 0.024 0.000 2.630 62 Y HA 0.564 5.232 4.550 0.022 -0.106 0.337 62 Y C -1.116 174.796 175.900 0.019 0.000 1.051 62 Y CA -1.964 56.148 58.100 0.021 0.000 1.121 62 Y CB 4.033 42.505 38.460 0.021 0.000 1.299 62 Y HN 0.817 9.187 8.280 0.150 0.000 0.498 63 N N -0.511 118.309 118.700 0.200 0.000 2.384 63 N HA 0.710 5.744 4.740 0.103 -0.232 0.301 63 N C -1.030 174.538 175.510 0.098 0.000 1.133 63 N CA -1.626 51.494 53.050 0.117 0.000 0.853 63 N CB 3.638 42.172 38.487 0.078 0.000 1.241 63 N HN 0.056 8.566 8.380 0.217 0.000 0.502 64 R N 3.650 124.187 120.500 0.061 0.000 2.674 64 R HA 0.513 5.053 4.340 0.030 -0.182 0.270 64 R C -0.597 175.718 176.300 0.025 0.000 1.492 64 R CA -1.603 54.518 56.100 0.034 0.000 1.624 64 R CB 0.616 30.929 30.300 0.022 0.000 1.307 64 R HN -0.172 8.132 8.270 0.057 0.000 0.683 65 G N 0.010 108.827 108.800 0.027 0.000 2.653 65 G HA2 0.037 4.009 3.960 0.020 0.000 0.265 65 G HA3 0.037 4.010 3.960 0.022 0.000 0.265 65 G C -2.524 172.384 174.900 0.013 0.000 1.237 65 G CA 0.038 45.151 45.100 0.021 0.000 0.946 65 G HN -0.145 8.165 8.290 0.032 0.000 0.522 75 E N 1.710 121.913 120.200 0.004 0.000 2.199 75 E HA 0.399 4.752 4.350 0.005 0.000 0.265 75 E C -1.547 175.061 176.600 0.012 0.000 0.882 75 E CA -0.972 55.433 56.400 0.009 0.000 0.759 75 E CB 2.249 31.959 29.700 0.016 0.000 1.148 75 E HN 0.092 8.455 8.360 0.006 0.000 0.412 76 I N 4.293 124.867 120.570 0.007 0.000 2.371 76 I HA 0.377 4.766 4.170 0.024 -0.205 0.282 76 I C -0.128 176.023 176.117 0.058 0.000 1.031 76 I CA -1.230 60.075 61.300 0.009 0.000 1.180 76 I CB 0.619 38.580 38.000 -0.063 0.000 1.336 76 I HN 0.411 8.621 8.210 0.002 0.000 0.467 77 R N 7.997 128.562 120.500 0.109 0.000 2.486 77 R HA 0.335 4.746 4.340 0.119 0.000 0.286 77 R C -0.757 175.697 176.300 0.257 0.000 0.999 77 R CA -1.791 54.392 56.100 0.138 0.000 0.993 77 R CB 2.102 32.457 30.300 0.092 0.000 1.084 77 R HN -0.226 8.108 8.270 0.106 0.000 0.487 78 T N 4.107 118.793 114.554 0.220 0.000 2.727 78 T HA -0.007 4.444 4.350 0.169 0.000 0.298 78 T C -0.290 174.417 174.700 0.011 0.000 0.942 78 T CA 0.729 62.914 62.100 0.143 0.000 0.997 78 T CB -0.159 68.780 68.868 0.119 0.000 0.917 78 T HN 0.243 8.583 8.240 0.166 0.000 0.487 79 L N 6.388 127.574 121.223 -0.063 0.000 2.084 79 L HA 0.024 4.372 4.340 0.013 0.000 0.202 79 L C 0.249 177.092 176.870 -0.045 0.000 1.074 79 L CA 1.119 55.940 54.840 -0.032 0.000 0.757 79 L CB 0.477 42.517 42.059 -0.032 0.000 0.918 79 L HN 0.299 8.445 8.230 -0.140 0.000 0.444 80 G N -5.257 103.471 108.800 -0.121 0.000 2.498 80 G HA2 0.097 4.024 3.960 -0.054 0.000 0.181 80 G HA3 0.097 4.031 3.960 -0.043 0.000 0.181 80 G C -2.688 172.137 174.900 -0.125 0.000 1.169 80 G CA 0.086 45.137 45.100 -0.082 0.000 0.992 80 G HN -0.643 7.525 8.290 -0.204 0.000 0.490 81 S N 0.145 115.800 115.700 -0.076 0.000 2.715 81 S HA 1.016 5.582 4.470 -0.091 -0.150 0.307 81 S C -1.248 173.318 174.600 -0.055 0.000 1.119 81 S CA -1.425 56.734 58.200 -0.067 0.000 0.937 81 S CB 3.573 66.754 63.200 -0.032 0.000 1.150 81 S HN -0.363 7.917 8.310 -0.050 0.000 0.521 82 G N -1.742 107.036 108.800 -0.038 0.000 2.645 82 G HA2 0.821 4.861 3.960 -0.025 0.000 0.292 82 G HA3 0.821 4.765 3.960 -0.027 0.000 0.292 82 G C -3.047 171.848 174.900 -0.009 0.000 1.415 82 G CA -0.146 44.939 45.100 -0.025 0.000 0.785 82 G HN -0.151 8.120 8.290 -0.033 0.000 0.483 83 V N -0.583 119.331 119.914 -0.001 0.000 2.567 83 V HA 0.333 4.586 4.120 0.003 -0.131 0.298 83 V C -1.035 175.063 176.094 0.007 0.000 1.047 83 V CA -1.094 61.209 62.300 0.005 0.000 0.880 83 V CB 3.553 35.382 31.823 0.010 0.000 1.009 83 V HN 0.054 8.244 8.190 -0.001 0.000 0.429 84 I N 7.350 127.921 120.570 0.001 0.000 2.598 84 I HA -0.152 4.134 4.170 -0.005 -0.119 0.284 84 I C 0.168 176.292 176.117 0.011 0.000 1.140 84 I CA 1.739 63.036 61.300 -0.004 0.000 1.420 84 I CB -0.001 37.986 38.000 -0.022 0.000 1.387 84 I HN 0.271 8.480 8.210 -0.000 0.000 0.553 85 M N 5.356 124.975 119.600 0.031 0.000 2.691 85 M HA 0.130 4.628 4.480 0.029 0.000 0.261 85 M C -0.112 176.212 176.300 0.041 0.000 1.227 85 M CA -0.574 54.751 55.300 0.041 0.000 1.197 85 M CB 0.734 33.370 32.600 0.060 0.000 1.294 85 M HN 0.471 8.787 8.290 0.043 0.000 0.508 86 D N -5.244 115.190 120.400 0.056 0.000 2.596 86 D HA 0.178 4.838 4.640 0.033 0.000 0.262 86 D C 0.317 176.632 176.300 0.025 0.000 1.210 86 D CA -1.072 52.958 54.000 0.051 0.000 0.873 86 D CB 1.173 42.025 40.800 0.088 0.000 1.408 86 D HN -0.819 7.589 8.370 0.064 0.000 0.441 87 Q N -1.760 118.049 119.800 0.015 0.000 2.291 87 Q HA -0.239 4.083 4.340 -0.029 0.000 0.206 87 Q C 1.109 177.088 176.000 -0.036 0.000 0.976 87 Q CA 2.455 58.250 55.803 -0.014 0.000 0.875 87 Q CB -0.109 28.626 28.738 -0.004 0.000 0.927 87 Q HN 0.414 8.697 8.270 0.022 0.000 0.450 88 R N -3.500 117.000 120.500 0.000 0.000 2.241 88 R HA -0.245 4.061 4.340 -0.056 0.000 0.224 88 R C 0.336 176.499 176.300 -0.228 0.000 1.101 88 R CA 0.555 56.626 56.100 -0.049 0.000 0.995 88 R CB 0.037 30.403 30.300 0.109 0.000 0.870 88 R HN -0.182 8.171 8.270 0.050 -0.053 0.463 89 G N -4.255 104.430 108.800 -0.192 0.000 2.141 89 G HA2 -0.379 3.444 3.960 -0.228 0.000 0.195 89 G HA3 -0.379 3.548 3.960 -0.333 -0.167 0.195 89 G C -0.748 173.966 174.900 -0.310 0.000 1.012 89 G CA -0.212 44.722 45.100 -0.278 0.000 0.696 89 G HN -0.485 7.825 8.290 -0.093 -0.076 0.508 90 Y N -0.025 120.236 120.300 -0.065 0.000 2.304 90 Y HA 0.372 5.072 4.550 -0.049 -0.179 0.328 90 Y C -1.008 174.863 175.900 -0.047 0.000 1.123 90 Y CA 0.572 58.643 58.100 -0.049 0.000 1.218 90 Y CB 1.623 40.064 38.460 -0.032 0.000 1.207 90 Y HN -0.677 7.902 8.280 0.048 -0.270 0.495 91 I N 0.378 121.022 120.570 0.124 0.000 2.582 91 I HA 0.564 4.941 4.170 0.045 -0.180 0.292 91 I C -1.069 175.079 176.117 0.051 0.000 1.066 91 I CA -1.578 59.754 61.300 0.053 0.000 1.053 91 I CB 4.144 42.148 38.000 0.006 0.000 1.241 91 I HN 0.494 8.794 8.210 0.151 0.000 0.421 92 I N 5.977 126.566 120.570 0.031 0.000 2.428 92 I HA 0.807 5.172 4.170 0.017 -0.185 0.296 92 I C -0.687 175.428 176.117 -0.004 0.000 0.985 92 I CA -1.131 60.179 61.300 0.016 0.000 1.260 92 I CB 2.166 40.177 38.000 0.018 0.000 1.389 92 I HN 0.187 8.414 8.210 0.029 0.000 0.484 93 T N 3.957 118.498 114.554 -0.022 0.000 2.731 93 T HA 0.310 4.631 4.350 -0.048 0.000 0.300 93 T C -2.098 172.548 174.700 -0.090 0.000 1.283 93 T CA -2.358 59.709 62.100 -0.056 0.000 1.005 93 T CB 1.511 70.337 68.868 -0.069 0.000 1.420 93 T HN 0.401 8.628 8.240 -0.021 0.000 0.503 94 N N 0.476 119.070 118.700 -0.177 0.000 2.530 94 N HA 0.180 5.003 4.740 -0.148 -0.172 0.277 94 N C 0.559 175.877 175.510 -0.321 0.000 1.168 94 N CA -0.233 52.650 53.050 -0.278 0.000 0.979 94 N CB 0.879 39.051 38.487 -0.526 0.000 1.141 94 N HN 0.333 8.593 8.380 -0.199 0.000 0.459 95 K N 3.272 123.561 120.400 -0.185 0.000 2.148 95 K HA -0.297 3.973 4.320 -0.084 0.000 0.204 95 K C 1.912 178.457 176.600 -0.091 0.000 1.050 95 K CA 3.033 59.262 56.287 -0.096 0.000 0.942 95 K CB 0.254 32.743 32.500 -0.017 0.000 0.724 95 K HN -0.049 8.171 8.250 -0.115 -0.039 0.446 96 H N -3.463 115.607 119.070 0.000 0.000 2.423 96 H HA -0.105 4.451 4.556 0.000 0.000 0.297 96 H C 2.444 177.772 175.328 0.000 0.000 1.075 96 H CA 2.504 58.551 56.048 -0.000 0.000 1.342 96 H CB -0.442 29.318 29.762 -0.002 0.000 1.395 96 H HN -0.509 7.815 8.280 -0.172 -0.147 0.530 97 V N -0.123 119.558 119.914 -0.389 0.000 2.332 97 V HA -0.298 3.819 4.120 -0.006 0.000 0.248 97 V C 0.836 176.893 176.094 -0.061 0.000 1.055 97 V CA 3.083 65.285 62.300 -0.164 0.000 1.038 97 V CB 0.171 31.835 31.823 -0.265 0.000 0.651 97 V HN -0.737 6.915 8.190 -0.870 0.016 0.450 98 I N -9.219 111.308 120.570 -0.072 0.000 3.914 98 I HA 0.195 4.357 4.170 -0.012 0.000 0.333 98 I C -0.025 176.090 176.117 -0.004 0.000 1.449 98 I CA -1.792 59.492 61.300 -0.027 0.000 1.135 98 I CB -0.349 37.633 38.000 -0.030 0.000 1.073 98 I HN -0.798 7.347 8.210 -0.108 0.000 0.401 99 N N 2.880 121.585 118.700 0.008 0.000 2.058 99 N HA -0.192 4.557 4.740 0.014 0.000 0.191 99 N C 0.450 175.972 175.510 0.021 0.000 1.037 99 N CA 2.825 55.888 53.050 0.021 0.000 0.848 99 N CB 0.238 38.750 38.487 0.041 0.000 1.021 99 N HN -0.672 7.657 8.380 0.013 0.058 0.422 100 D N -0.443 119.973 120.400 0.026 0.000 2.930 100 D HA 0.137 4.790 4.640 0.021 0.000 0.304 100 D C -1.909 174.407 176.300 0.026 0.000 1.298 100 D CA -0.166 53.849 54.000 0.024 0.000 0.949 100 D CB -1.307 39.509 40.800 0.026 0.000 1.013 100 D HN 0.132 8.520 8.370 0.030 0.000 0.510 101 A N -0.829 122.005 122.820 0.023 0.000 2.258 101 A HA 0.187 4.645 4.320 0.032 -0.119 0.316 101 A C -0.649 176.951 177.584 0.026 0.000 1.279 101 A CA -0.759 51.294 52.037 0.027 0.000 0.876 101 A CB 0.848 19.863 19.000 0.026 0.000 1.170 101 A HN -0.324 7.838 8.150 0.020 0.000 0.520 102 D N 3.960 124.377 120.400 0.028 0.000 2.110 102 D HA -0.159 4.493 4.640 0.021 0.000 0.202 102 D C 0.126 176.441 176.300 0.026 0.000 0.975 102 D CA 1.348 55.362 54.000 0.024 0.000 0.839 102 D CB 0.637 41.451 40.800 0.022 0.000 0.996 102 D HN 0.412 8.994 8.370 0.030 -0.194 0.464 103 Q N -0.779 119.041 119.800 0.033 0.000 2.304 103 Q HA 0.231 4.591 4.340 0.034 0.000 0.270 103 Q C -1.899 174.132 176.000 0.052 0.000 1.035 103 Q CA -0.546 55.279 55.803 0.037 0.000 0.781 103 Q CB 3.412 32.169 28.738 0.032 0.000 1.261 103 Q HN -0.725 7.769 8.270 0.036 -0.202 0.444 104 I N 6.093 126.696 120.570 0.054 0.000 2.359 104 I HA 0.530 4.932 4.170 0.078 -0.186 0.294 104 I C -0.830 175.342 176.117 0.092 0.000 0.987 104 I CA -0.937 60.404 61.300 0.068 0.000 1.225 104 I CB 1.732 39.761 38.000 0.048 0.000 1.366 104 I HN 0.522 8.760 8.210 0.047 0.000 0.466 105 I N 6.460 127.114 120.570 0.139 0.000 2.608 105 I HA 0.495 4.886 4.170 0.146 -0.132 0.295 105 I C -1.533 174.727 176.117 0.237 0.000 1.049 105 I CA -1.310 60.097 61.300 0.178 0.000 1.063 105 I CB 4.217 42.319 38.000 0.170 0.000 1.248 105 I HN 0.003 8.309 8.210 0.159 0.000 0.424 106 V N 5.425 125.474 119.914 0.226 0.000 2.540 106 V HA 0.650 5.082 4.120 0.182 -0.204 0.302 106 V C -2.119 174.136 176.094 0.268 0.000 1.035 106 V CA -2.223 60.205 62.300 0.214 0.000 0.873 106 V CB 3.781 35.695 31.823 0.152 0.000 0.992 106 V HN 0.307 8.630 8.190 0.222 0.000 0.428 107 A N 6.644 129.619 122.820 0.259 0.000 2.319 107 A HA 0.754 5.355 4.320 0.208 -0.157 0.310 107 A C -1.372 176.317 177.584 0.174 0.000 1.152 107 A CA -2.038 50.140 52.037 0.236 0.000 0.783 107 A CB 2.586 21.775 19.000 0.316 0.000 1.184 107 A HN 0.052 8.338 8.150 0.225 0.000 0.474 108 L N 2.572 123.895 121.223 0.167 0.000 2.468 108 L HA 0.095 4.502 4.340 0.112 0.000 0.254 108 L C 1.788 178.714 176.870 0.093 0.000 1.171 108 L CA -0.326 54.592 54.840 0.130 0.000 0.809 108 L CB 1.044 43.199 42.059 0.160 0.000 1.155 108 L HN 0.019 8.360 8.230 0.185 0.000 0.473 109 Q N 1.421 121.264 119.800 0.071 0.000 2.472 109 Q HA -0.224 4.149 4.340 0.056 0.000 0.208 109 Q C 0.255 176.283 176.000 0.047 0.000 0.958 109 Q CA 2.493 58.329 55.803 0.054 0.000 0.932 109 Q CB -0.257 28.507 28.738 0.043 0.000 1.007 109 Q HN 0.924 9.234 8.270 0.068 0.000 0.508 110 D N -5.354 115.077 120.400 0.053 0.000 2.339 110 D HA -0.032 4.628 4.640 0.033 0.000 0.217 110 D C 0.612 176.931 176.300 0.031 0.000 1.050 110 D CA -0.515 53.510 54.000 0.041 0.000 0.856 110 D CB -0.669 40.160 40.800 0.047 0.000 0.922 110 D HN -0.487 7.870 8.370 0.066 0.052 0.518 111 G N -0.879 107.941 108.800 0.033 0.000 2.231 111 G HA2 -0.393 3.574 3.960 0.011 0.000 0.206 111 G HA3 -0.393 3.567 3.960 -0.001 0.000 0.206 111 G C -0.139 174.749 174.900 -0.020 0.000 0.996 111 G CA -0.384 44.721 45.100 0.008 0.000 0.645 111 G HN -0.677 7.599 8.290 0.047 0.042 0.498 112 R N 1.209 121.701 120.500 -0.013 0.000 2.582 112 R HA 0.080 4.305 4.340 -0.192 0.000 0.271 112 R C -1.127 175.084 176.300 -0.149 0.000 1.078 112 R CA 0.399 56.420 56.100 -0.131 0.000 1.127 112 R CB 1.388 31.631 30.300 -0.095 0.000 1.038 112 R HN -0.262 8.323 8.270 0.030 -0.297 0.500 113 V N 1.788 121.472 119.914 -0.383 0.000 2.524 113 V HA 0.605 4.901 4.120 -0.017 -0.186 0.297 113 V C -0.365 175.503 176.094 -0.377 0.000 1.035 113 V CA -0.851 61.322 62.300 -0.212 0.000 0.867 113 V CB 1.782 33.534 31.823 -0.118 0.000 1.004 113 V HN 0.250 8.111 8.190 -0.548 0.000 0.426 114 F N 7.272 127.235 119.950 0.022 0.000 2.541 114 F HA 0.421 4.950 4.527 0.004 0.000 0.331 114 F C -1.025 174.786 175.800 0.018 0.000 1.057 114 F CA -1.778 56.228 58.000 0.011 0.000 0.975 114 F CB 3.424 42.425 39.000 0.002 0.000 1.246 114 F HN 0.347 8.869 8.300 0.369 0.000 0.484 115 E N 0.177 120.501 120.200 0.207 0.000 2.216 115 E HA 0.353 4.899 4.350 0.119 -0.124 0.279 115 E C -1.371 175.294 176.600 0.108 0.000 0.997 115 E CA -1.430 55.045 56.400 0.125 0.000 0.817 115 E CB 2.188 31.933 29.700 0.076 0.000 1.096 115 E HN 0.220 8.704 8.360 0.205 0.000 0.393 116 A N 5.145 128.011 122.820 0.076 0.000 2.337 116 A HA 0.775 5.268 4.320 0.019 -0.162 0.331 116 A C -1.886 175.714 177.584 0.026 0.000 1.137 116 A CA -1.848 50.211 52.037 0.037 0.000 0.807 116 A CB 2.966 21.984 19.000 0.031 0.000 1.250 116 A HN 0.010 8.208 8.150 0.079 0.000 0.468 117 L N -0.874 120.355 121.223 0.010 0.000 2.342 117 L HA 0.332 4.684 4.340 0.020 0.000 0.271 117 L C -1.033 175.850 176.870 0.022 0.000 1.008 117 L CA -1.864 52.985 54.840 0.015 0.000 0.818 117 L CB 3.120 45.185 42.059 0.010 0.000 1.296 117 L HN -0.041 8.186 8.230 -0.005 0.000 0.427 118 L N 2.319 123.557 121.223 0.025 0.000 2.407 118 L HA -0.019 4.340 4.340 0.030 0.000 0.282 118 L C -0.237 176.657 176.870 0.040 0.000 1.110 118 L CA 0.366 55.223 54.840 0.029 0.000 0.863 118 L CB -0.383 41.688 42.059 0.020 0.000 1.207 118 L HN 0.237 8.480 8.230 0.023 0.000 0.454 119 V N 6.857 126.809 119.914 0.063 0.000 2.427 119 V HA -0.303 3.866 4.120 0.081 0.000 0.248 119 V C -0.080 176.040 176.094 0.044 0.000 1.051 119 V CA 1.747 64.095 62.300 0.080 0.000 1.048 119 V CB 0.367 32.278 31.823 0.147 0.000 0.666 119 V HN 0.631 8.864 8.190 0.071 0.000 0.456 120 G N -5.786 103.031 108.800 0.029 0.000 2.350 120 G HA2 -0.042 3.926 3.960 0.012 0.000 0.305 120 G HA3 -0.042 3.924 3.960 0.009 0.000 0.305 120 G C -3.376 171.528 174.900 0.005 0.000 1.479 120 G CA -0.527 44.581 45.100 0.013 0.000 0.949 120 G HN -0.901 7.408 8.290 0.032 0.000 0.651 121 S N -1.069 114.631 115.700 0.000 0.000 2.740 121 S HA 0.299 4.836 4.470 -0.006 -0.070 0.300 121 S C -2.144 172.453 174.600 -0.005 0.000 1.147 121 S CA -1.487 56.710 58.200 -0.004 0.000 0.871 121 S CB 2.985 66.182 63.200 -0.005 0.000 1.173 121 S HN 0.096 8.407 8.310 0.001 0.000 0.510 122 D N 0.531 120.928 120.400 -0.005 0.000 2.479 122 D HA 0.327 4.964 4.640 -0.005 0.000 0.246 122 D C 0.484 176.784 176.300 0.000 0.000 1.336 122 D CA -0.488 53.509 54.000 -0.004 0.000 0.967 122 D CB 2.633 43.428 40.800 -0.007 0.000 1.275 122 D HN -0.077 8.289 8.370 -0.006 0.000 0.577 123 S N 6.372 122.073 115.700 0.001 0.000 2.368 123 S HA -0.272 4.203 4.470 0.009 0.000 0.225 123 S C 1.878 176.480 174.600 0.003 0.000 1.030 123 S CA 3.297 61.500 58.200 0.005 0.000 0.999 123 S CB 0.095 63.297 63.200 0.003 0.000 0.844 123 S HN 0.370 8.680 8.310 -0.000 0.000 0.459 124 L N 1.358 122.581 121.223 -0.001 0.000 2.042 124 L HA -0.213 4.123 4.340 -0.006 0.000 0.210 124 L C 0.384 177.253 176.870 -0.000 0.000 1.076 124 L CA 2.541 57.379 54.840 -0.003 0.000 0.749 124 L CB 0.118 42.175 42.059 -0.004 0.000 0.893 124 L HN -0.523 7.814 8.230 -0.002 -0.108 0.432 125 T N -9.084 105.473 114.554 0.005 0.000 3.069 125 T HA -0.055 4.303 4.350 0.013 0.000 0.252 125 T C -0.232 174.481 174.700 0.020 0.000 1.053 125 T CA -0.440 61.667 62.100 0.012 0.000 0.964 125 T CB 0.767 69.642 68.868 0.012 0.000 1.005 125 T HN -0.777 7.673 8.240 0.003 -0.208 0.532 126 D N 1.039 121.451 120.400 0.020 0.000 2.751 126 D HA -0.328 4.331 4.640 0.031 0.000 0.233 126 D C -1.471 174.838 176.300 0.015 0.000 1.149 126 D CA 1.312 55.332 54.000 0.034 0.000 0.682 126 D CB -0.965 39.880 40.800 0.075 0.000 1.068 126 D HN -0.360 7.839 8.370 0.014 0.179 0.429 127 L N -3.401 117.823 121.223 0.002 0.000 2.331 127 L HA 0.677 5.129 4.340 -0.019 -0.123 0.268 127 L C -1.765 175.093 176.870 -0.020 0.000 1.015 127 L CA -1.224 53.610 54.840 -0.011 0.000 0.807 127 L CB 3.294 45.352 42.059 -0.001 0.000 1.293 127 L HN -0.769 7.450 8.230 0.003 0.013 0.451 128 A N -2.219 120.587 122.820 -0.024 0.000 2.566 128 A HA 0.592 5.037 4.320 -0.011 -0.131 0.297 128 A C -2.581 175.001 177.584 -0.003 0.000 1.059 128 A CA -0.479 51.547 52.037 -0.017 0.000 0.691 128 A CB 3.572 22.553 19.000 -0.031 0.000 1.282 128 A HN 0.280 8.416 8.150 -0.024 0.000 0.401 129 V N 2.394 122.317 119.914 0.014 0.000 2.417 129 V HA 0.808 5.162 4.120 0.047 -0.206 0.291 129 V C -1.099 175.040 176.094 0.076 0.000 1.024 129 V CA -1.664 60.665 62.300 0.048 0.000 0.861 129 V CB 1.718 33.566 31.823 0.041 0.000 0.985 129 V HN 0.255 8.453 8.190 0.013 0.000 0.436 130 L N 6.455 127.726 121.223 0.079 0.000 2.332 130 L HA 0.837 5.370 4.340 0.054 -0.160 0.269 130 L C -1.242 175.663 176.870 0.057 0.000 1.016 130 L CA -1.816 53.058 54.840 0.057 0.000 0.809 130 L CB 2.824 44.895 42.059 0.020 0.000 1.280 130 L HN 0.860 9.133 8.230 0.072 0.000 0.447 131 K N 0.396 120.781 120.400 -0.025 0.000 2.468 131 K HA 0.692 5.015 4.320 -0.282 -0.172 0.252 131 K C -1.637 174.864 176.600 -0.165 0.000 0.932 131 K CA -1.532 54.647 56.287 -0.180 0.000 0.794 131 K CB 3.057 35.432 32.500 -0.209 0.000 1.241 131 K HN 0.132 8.373 8.250 -0.015 0.000 0.428 132 I N 0.124 120.549 120.570 -0.242 0.000 2.865 132 I HA 0.476 4.575 4.170 -0.119 0.000 0.302 132 I C -1.715 174.256 176.117 -0.243 0.000 1.140 132 I CA -1.870 59.305 61.300 -0.209 0.000 1.021 132 I CB 3.331 41.155 38.000 -0.292 0.000 1.233 132 I HN 0.046 8.064 8.210 -0.319 0.000 0.427 133 N N 2.747 121.368 118.700 -0.131 0.000 2.452 133 N HA -0.059 4.618 4.740 -0.105 0.000 0.266 133 N C -0.109 175.306 175.510 -0.159 0.000 1.209 133 N CA 0.565 53.564 53.050 -0.086 0.000 0.929 133 N CB 0.237 38.747 38.487 0.038 0.000 1.063 133 N HN 0.526 8.878 8.380 -0.048 0.000 0.472 134 A N 5.201 127.932 122.820 -0.150 0.000 2.506 134 A HA 0.164 4.325 4.320 -0.264 0.000 0.320 134 A C -0.271 177.300 177.584 -0.022 0.000 1.424 134 A CA -0.835 51.110 52.037 -0.153 0.000 1.044 134 A CB -0.659 18.256 19.000 -0.142 0.000 1.140 134 A HN 0.215 8.289 8.150 -0.127 0.000 0.538 135 T N 0.878 115.483 114.554 0.083 0.000 2.855 135 T HA -0.132 4.271 4.350 0.087 0.000 0.314 135 T C 0.942 175.681 174.700 0.064 0.000 1.077 135 T CA -0.835 61.334 62.100 0.116 0.000 1.095 135 T CB 0.666 69.656 68.868 0.204 0.000 0.987 135 T HN -0.346 7.988 8.240 0.157 0.000 0.546 136 G N 0.349 109.178 108.800 0.049 0.000 2.150 136 G HA2 -0.265 3.707 3.960 0.021 0.000 0.250 136 G HA3 -0.265 3.712 3.960 0.029 0.000 0.250 136 G C -0.274 174.649 174.900 0.038 0.000 1.179 136 G CA 0.475 45.594 45.100 0.032 0.000 0.934 136 G HN 0.166 8.485 8.290 0.048 0.000 0.453 137 G N 4.084 112.899 108.800 0.024 0.000 3.081 137 G HA2 -0.300 3.670 3.960 0.017 0.000 0.603 137 G HA3 -0.300 3.680 3.960 0.033 0.000 0.603 137 G C -1.764 173.152 174.900 0.027 0.000 1.106 137 G CA -0.602 44.514 45.100 0.026 0.000 1.001 137 G HN 0.173 8.472 8.290 0.014 0.000 0.445 138 L N 3.203 124.427 121.223 0.002 0.000 2.365 138 L HA 0.421 4.762 4.340 0.001 0.000 0.273 138 L C -2.278 174.589 176.870 -0.005 0.000 1.000 138 L CA -3.499 51.332 54.840 -0.015 0.000 0.819 138 L CB 3.626 45.644 42.059 -0.069 0.000 1.284 138 L HN -0.441 7.910 8.230 -0.003 -0.123 0.418 139 P HA 0.190 4.614 4.420 0.006 0.000 0.287 139 P C -1.617 175.681 177.300 -0.004 0.000 1.281 139 P CA -0.737 62.367 63.100 0.006 0.000 0.781 139 P CB 0.175 31.886 31.700 0.018 0.000 0.903 140 T N -0.850 113.702 114.554 -0.004 0.000 2.912 140 T HA 0.082 4.428 4.350 -0.006 0.000 0.288 140 T C -0.090 174.606 174.700 -0.007 0.000 1.030 140 T CA -2.596 59.501 62.100 -0.005 0.000 1.020 140 T CB 2.680 71.546 68.868 -0.003 0.000 1.056 140 T HN -0.160 8.079 8.240 -0.002 0.000 0.480 141 I N 2.781 123.346 120.570 -0.008 0.000 2.452 141 I HA 0.169 4.328 4.170 -0.018 0.000 0.287 141 I C -1.974 174.124 176.117 -0.032 0.000 1.079 141 I CA -3.146 58.144 61.300 -0.018 0.000 1.387 141 I CB 1.023 39.014 38.000 -0.015 0.000 1.404 141 I HN -0.159 8.048 8.210 -0.004 0.000 0.522 142 P HA 0.045 4.437 4.420 -0.046 0.000 0.264 142 P C -1.710 175.529 177.300 -0.102 0.000 1.183 142 P CA 0.084 63.148 63.100 -0.060 0.000 0.763 142 P CB 0.369 32.033 31.700 -0.061 0.000 0.807 143 I N 1.555 122.066 120.570 -0.099 0.000 2.569 143 I HA 0.162 4.177 4.170 -0.258 0.000 0.290 143 I C -1.532 174.508 176.117 -0.129 0.000 1.088 143 I CA -0.447 60.763 61.300 -0.150 0.000 1.047 143 I CB 2.847 40.815 38.000 -0.054 0.000 1.237 143 I HN -0.210 7.958 8.210 -0.070 0.000 0.421 144 N N 6.791 125.359 118.700 -0.220 0.000 2.623 144 N HA 0.171 4.885 4.740 -0.044 0.000 0.256 144 N C -0.047 175.480 175.510 0.028 0.000 1.045 144 N CA -1.119 51.870 53.050 -0.101 0.000 0.863 144 N CB 0.737 39.153 38.487 -0.117 0.000 1.182 144 N HN 0.350 8.484 8.380 -0.409 0.000 0.523 145 A N 5.505 128.408 122.820 0.138 0.000 2.121 145 A HA -0.090 4.516 4.320 0.477 0.000 0.218 145 A C 0.824 178.509 177.584 0.169 0.000 1.154 145 A CA 2.213 54.400 52.037 0.249 0.000 0.679 145 A CB -0.079 19.005 19.000 0.141 0.000 0.795 145 A HN 0.693 8.897 8.150 0.089 0.000 0.458 146 R N -4.347 116.214 120.500 0.100 0.000 2.210 146 R HA 0.082 4.456 4.340 0.058 0.000 0.203 146 R C 0.302 176.641 176.300 0.064 0.000 1.010 146 R CA -0.527 55.611 56.100 0.064 0.000 1.008 146 R CB 0.496 30.816 30.300 0.034 0.000 0.923 146 R HN -0.539 7.976 8.270 0.075 -0.200 0.469 147 R N 2.075 122.620 120.500 0.074 0.000 2.449 147 R HA -0.115 4.226 4.340 0.001 0.000 0.296 147 R C -0.525 175.812 176.300 0.063 0.000 1.047 147 R CA 0.253 56.372 56.100 0.031 0.000 1.018 147 R CB -0.006 30.270 30.300 -0.040 0.000 0.962 147 R HN -0.640 7.674 8.270 0.077 0.002 0.428 148 V N 8.136 128.012 119.914 -0.063 0.000 2.333 148 V HA 0.173 4.256 4.120 -0.061 0.000 0.274 148 V C -1.759 174.099 176.094 -0.394 0.000 1.028 148 V CA -3.113 59.088 62.300 -0.165 0.000 0.851 148 V CB 1.229 32.943 31.823 -0.181 0.000 1.000 148 V HN 0.044 8.179 8.190 -0.091 0.000 0.456 149 P HA -0.029 4.294 4.420 -0.161 0.000 0.267 149 P C -1.536 175.612 177.300 -0.254 0.000 1.205 149 P CA -0.221 62.775 63.100 -0.174 0.000 0.765 149 P CB 0.482 32.178 31.700 -0.008 0.000 0.828 150 H N 3.120 122.196 119.070 0.011 0.000 2.569 150 H HA 0.257 4.811 4.556 -0.002 0.000 0.357 150 H C -0.075 175.250 175.328 -0.005 0.000 1.153 150 H CA -1.554 54.494 56.048 0.000 0.000 1.193 150 H CB 3.813 33.575 29.762 0.001 0.000 1.602 150 H HN -0.243 8.249 8.280 -0.062 -0.249 0.523 151 I N 2.281 122.929 120.570 0.130 0.000 2.683 151 I HA -0.642 3.654 4.170 0.044 -0.099 0.286 151 I C 1.228 177.376 176.117 0.051 0.000 1.175 151 I CA 2.273 63.609 61.300 0.061 0.000 1.429 151 I CB -0.502 37.522 38.000 0.040 0.000 1.371 151 I HN 0.582 8.877 8.210 0.141 0.000 0.569 152 G N 6.837 115.654 108.800 0.027 0.000 2.254 152 G HA2 -0.382 3.582 3.960 0.007 0.000 0.225 152 G HA3 -0.382 3.590 3.960 0.020 0.000 0.225 152 G C -0.295 174.612 174.900 0.011 0.000 1.003 152 G CA -0.560 44.550 45.100 0.016 0.000 0.622 152 G HN 0.479 8.780 8.290 0.019 0.000 0.507 153 D N 2.761 123.175 120.400 0.023 0.000 2.506 153 D HA -0.120 4.527 4.640 0.012 0.000 0.234 153 D C 0.026 176.301 176.300 -0.041 0.000 1.143 153 D CA 2.043 56.045 54.000 0.003 0.000 0.871 153 D CB 0.666 41.469 40.800 0.006 0.000 1.190 153 D HN -0.565 7.760 8.370 0.042 0.070 0.459 154 V N 1.073 120.941 119.914 -0.077 0.000 2.614 154 V HA -0.004 4.185 4.120 -0.146 -0.156 0.291 154 V C -0.149 175.839 176.094 -0.177 0.000 1.049 154 V CA 0.570 62.772 62.300 -0.164 0.000 1.038 154 V CB 0.396 32.046 31.823 -0.289 0.000 0.980 154 V HN 0.112 8.263 8.190 -0.064 0.000 0.481 155 V N 0.424 120.233 119.914 -0.175 0.000 2.841 155 V HA 0.977 5.214 4.120 -0.139 -0.201 0.310 155 V C -1.583 174.428 176.094 -0.138 0.000 1.090 155 V CA -2.850 59.368 62.300 -0.136 0.000 0.930 155 V CB 3.670 35.446 31.823 -0.078 0.000 1.014 155 V HN 0.011 8.098 8.190 -0.172 0.000 0.425 156 L N 2.499 123.655 121.223 -0.111 0.000 2.317 156 L HA 0.864 5.361 4.340 -0.075 -0.202 0.281 156 L C -0.863 175.984 176.870 -0.039 0.000 1.024 156 L CA -2.164 52.632 54.840 -0.073 0.000 0.810 156 L CB 2.319 44.345 42.059 -0.055 0.000 1.240 156 L HN 0.603 8.771 8.230 -0.103 0.000 0.427 157 A N 2.962 125.768 122.820 -0.023 0.000 2.292 157 A HA 0.747 5.211 4.320 -0.005 -0.147 0.319 157 A C -1.565 176.020 177.584 0.001 0.000 1.206 157 A CA -1.782 50.251 52.037 -0.007 0.000 0.835 157 A CB 2.154 21.154 19.000 -0.001 0.000 1.164 157 A HN 0.580 8.717 8.150 -0.023 0.000 0.505 158 I N 2.662 123.235 120.570 0.005 0.000 2.465 158 I HA 0.361 4.537 4.170 0.009 0.000 0.291 158 I C -1.393 174.730 176.117 0.010 0.000 1.014 158 I CA -0.998 60.307 61.300 0.008 0.000 1.093 158 I CB 2.558 40.561 38.000 0.006 0.000 1.267 158 I HN 0.214 8.428 8.210 0.005 0.000 0.431 159 G N 2.889 111.695 108.800 0.010 0.000 2.547 159 G HA2 0.139 4.100 3.960 0.002 0.000 0.291 159 G HA3 0.139 4.104 3.960 0.008 0.000 0.291 159 G C -2.443 172.460 174.900 0.005 0.000 1.471 159 G CA 0.067 45.170 45.100 0.006 0.000 0.798 159 G HN -0.006 8.290 8.290 0.011 0.000 0.504 160 N N 1.759 120.455 118.700 -0.006 0.000 2.546 160 N HA 0.590 5.524 4.740 0.007 -0.189 0.238 160 N C -1.735 173.770 175.510 -0.008 0.000 0.984 160 N CA -2.256 50.792 53.050 -0.005 0.000 0.935 160 N CB 1.693 40.172 38.487 -0.014 0.000 1.122 160 N HN -0.084 8.286 8.380 -0.017 0.000 0.510 165 G N -1.057 107.766 108.800 0.037 0.000 2.725 165 G HA2 -0.246 3.743 3.960 0.048 0.000 0.220 165 G HA3 -0.246 3.736 3.960 0.036 0.000 0.220 165 G C -1.221 173.697 174.900 0.030 0.000 1.357 165 G CA -0.869 44.254 45.100 0.039 0.000 0.866 165 G HN -0.619 7.696 8.290 0.042 0.000 0.548 166 Q N 0.983 120.801 119.800 0.029 0.000 2.361 166 Q HA -0.196 4.269 4.340 0.020 -0.113 0.276 166 Q C -0.225 175.788 176.000 0.021 0.000 1.022 166 Q CA 1.464 57.281 55.803 0.023 0.000 0.898 166 Q CB 0.727 29.480 28.738 0.024 0.000 1.246 166 Q HN 0.354 8.643 8.270 0.032 0.000 0.410 167 T N 6.969 121.534 114.554 0.019 0.000 2.916 167 T HA 0.232 4.594 4.350 0.020 0.000 0.305 167 T C -0.884 173.827 174.700 0.017 0.000 1.119 167 T CA -0.585 61.526 62.100 0.019 0.000 1.008 167 T CB 1.274 70.152 68.868 0.018 0.000 1.129 167 T HN 0.119 8.369 8.240 0.017 0.000 0.480 168 I N 5.597 126.179 120.570 0.019 0.000 2.533 168 I HA 0.841 5.019 4.170 0.014 0.000 0.290 168 I C -1.067 175.061 176.117 0.018 0.000 1.056 168 I CA -0.804 60.507 61.300 0.018 0.000 1.057 168 I CB 3.690 41.704 38.000 0.024 0.000 1.240 168 I HN 0.371 8.594 8.210 0.021 0.000 0.423 169 T N 3.160 117.719 114.554 0.009 0.000 2.924 169 T HA 0.358 4.716 4.350 0.014 0.000 0.291 169 T C -1.746 172.949 174.700 -0.009 0.000 1.045 169 T CA -1.489 60.614 62.100 0.006 0.000 1.015 169 T CB 2.417 71.287 68.868 0.003 0.000 1.103 169 T HN 0.079 8.322 8.240 0.005 0.000 0.496 170 Q N 4.400 124.194 119.800 -0.010 0.000 2.353 170 Q HA 0.709 5.166 4.340 -0.072 -0.160 0.268 170 Q C -1.212 174.760 176.000 -0.046 0.000 1.045 170 Q CA -1.106 54.671 55.803 -0.043 0.000 0.811 170 Q CB 3.418 32.141 28.738 -0.024 0.000 1.305 170 Q HN 0.100 8.370 8.270 0.001 0.000 0.447 171 G N 3.795 112.550 108.800 -0.075 0.000 2.753 171 G HA2 0.739 4.672 3.960 -0.046 0.000 0.303 171 G HA3 0.739 4.806 3.960 -0.052 -0.138 0.303 171 G C -2.575 172.279 174.900 -0.076 0.000 1.242 171 G CA 0.032 45.096 45.100 -0.060 0.000 0.810 171 G HN 0.307 8.536 8.290 -0.102 0.000 0.515 172 I N -5.990 114.545 120.570 -0.057 0.000 3.174 172 I HA 0.970 5.274 4.170 -0.064 -0.173 0.313 172 I C -0.957 175.137 176.117 -0.039 0.000 1.155 172 I CA -2.595 58.674 61.300 -0.051 0.000 0.977 172 I CB 4.614 42.594 38.000 -0.034 0.000 1.248 172 I HN 0.377 8.839 8.210 -0.049 -0.281 0.453 173 I N 1.792 122.346 120.570 -0.026 0.000 2.483 173 I HA -0.023 4.273 4.170 -0.019 -0.137 0.291 173 I C 0.620 176.733 176.117 -0.008 0.000 1.112 173 I CA 0.783 62.075 61.300 -0.014 0.000 1.350 173 I CB -1.656 36.344 38.000 0.001 0.000 1.419 173 I HN -0.024 8.172 8.210 -0.024 0.000 0.523 174 S N 10.127 125.816 115.700 -0.019 0.000 2.371 174 S HA -0.186 4.278 4.470 -0.011 0.000 0.224 174 S C -0.649 173.960 174.600 0.017 0.000 1.029 174 S CA 2.373 60.565 58.200 -0.014 0.000 0.978 174 S CB 0.524 63.697 63.200 -0.044 0.000 0.833 174 S HN 0.350 8.542 8.310 -0.034 0.097 0.466 175 A N -2.819 120.025 122.820 0.041 0.000 2.586 175 A HA 0.313 4.666 4.320 0.054 0.000 0.290 175 A C -2.690 174.931 177.584 0.062 0.000 1.086 175 A CA -0.145 51.943 52.037 0.083 0.000 0.665 175 A CB 1.908 21.005 19.000 0.162 0.000 1.279 175 A HN -0.740 7.431 8.150 0.034 0.000 0.423 176 T N -3.381 111.146 114.554 -0.044 0.000 2.868 176 T HA 0.461 4.524 4.350 -0.478 0.000 0.306 176 T C -1.002 173.397 174.700 -0.502 0.000 1.224 176 T CA -2.247 59.660 62.100 -0.322 0.000 1.012 176 T CB 2.282 71.033 68.868 -0.195 0.000 1.221 176 T HN -0.088 8.142 8.240 -0.016 0.000 0.499 177 G N -0.225 108.007 108.800 -0.945 0.000 2.455 177 G HA2 -0.139 3.621 3.960 -0.333 0.000 0.223 177 G HA3 -0.139 3.591 3.960 -0.383 0.000 0.223 177 G C -3.408 171.119 174.900 -0.622 0.000 1.226 177 G CA 0.713 45.455 45.100 -0.597 0.000 0.948 177 G HN -0.257 7.336 8.290 -1.163 0.000 0.478 178 R N -2.018 118.448 120.500 -0.057 0.000 2.686 178 R HA 0.429 4.930 4.340 0.160 -0.065 0.283 178 R C -2.561 173.998 176.300 0.433 0.000 0.978 178 R CA -0.832 55.372 56.100 0.174 0.000 0.897 178 R CB 2.173 32.512 30.300 0.065 0.000 1.192 178 R HN -0.020 8.297 8.270 0.078 0.000 0.457 179 I N 2.807 123.606 120.570 0.382 0.000 2.769 179 I HA 0.219 4.477 4.170 0.148 0.000 0.298 179 I C -0.708 175.445 176.117 0.060 0.000 1.128 179 I CA -1.185 60.220 61.300 0.174 0.000 1.031 179 I CB 3.028 41.005 38.000 -0.039 0.000 1.235 179 I HN 0.024 8.439 8.210 0.340 0.000 0.423 180 G N 5.425 114.229 108.800 0.006 0.000 2.578 180 G HA2 -0.274 3.675 3.960 -0.019 0.000 0.284 180 G HA3 -0.274 3.667 3.960 -0.032 0.000 0.284 180 G C -1.506 173.398 174.900 0.006 0.000 1.283 180 G CA -0.385 44.707 45.100 -0.013 0.000 0.944 180 G HN -0.104 8.185 8.290 -0.002 0.000 0.558 181 L N 2.213 123.434 121.223 -0.004 0.000 2.562 181 L HA -0.093 4.248 4.340 0.002 0.000 0.271 181 L C -0.839 176.037 176.870 0.009 0.000 1.167 181 L CA 0.716 55.556 54.840 0.001 0.000 0.917 181 L CB 0.181 42.237 42.059 -0.006 0.000 1.187 181 L HN -0.058 8.164 8.230 -0.014 0.000 0.482 182 N N 6.539 125.246 118.700 0.012 0.000 2.904 182 N HA 0.303 5.052 4.740 0.016 0.000 0.257 182 N C -1.628 173.885 175.510 0.004 0.000 1.363 182 N CA -2.678 50.381 53.050 0.014 0.000 0.856 182 N CB 0.199 38.700 38.487 0.025 0.000 1.166 182 N HN 0.184 8.571 8.380 0.011 0.000 0.499 183 P HA -0.056 4.362 4.420 -0.004 0.000 0.219 183 P C 0.477 177.772 177.300 -0.008 0.000 1.150 183 P CA 0.985 64.082 63.100 -0.004 0.000 0.814 183 P CB 0.537 32.233 31.700 -0.006 0.000 0.787 184 T N -2.182 112.367 114.554 -0.009 0.000 2.759 184 T HA -0.234 4.105 4.350 -0.018 0.000 0.269 184 T C 0.968 175.657 174.700 -0.019 0.000 1.042 184 T CA 1.696 63.786 62.100 -0.016 0.000 1.140 184 T CB 0.096 68.952 68.868 -0.020 0.000 0.864 184 T HN -0.032 8.183 8.240 -0.006 0.021 0.455 185 G N -1.473 107.319 108.800 -0.014 0.000 2.267 185 G HA2 -0.342 3.611 3.960 -0.011 0.000 0.257 185 G HA3 -0.342 3.608 3.960 -0.017 0.000 0.257 185 G C -0.840 174.046 174.900 -0.024 0.000 0.998 185 G CA 0.356 45.447 45.100 -0.016 0.000 0.620 185 G HN -0.329 8.058 8.290 -0.009 -0.103 0.529 186 R N -0.824 119.656 120.500 -0.032 0.000 2.607 186 R HA 0.265 4.575 4.340 -0.050 0.000 0.261 186 R C -1.749 174.518 176.300 -0.055 0.000 1.051 186 R CA -1.332 54.738 56.100 -0.049 0.000 1.110 186 R CB 0.580 30.843 30.300 -0.062 0.000 1.158 186 R HN -0.134 8.019 8.270 -0.030 0.099 0.543 187 Q N 0.313 120.064 119.800 -0.083 0.000 2.263 187 Q HA -0.251 4.021 4.340 -0.113 0.000 0.289 187 Q C -0.952 174.991 176.000 -0.095 0.000 1.061 187 Q CA 1.007 56.739 55.803 -0.117 0.000 0.927 187 Q CB 0.072 28.712 28.738 -0.163 0.000 1.154 187 Q HN 0.223 8.439 8.270 -0.090 0.000 0.378 188 N N 3.498 122.160 118.700 -0.063 0.000 2.305 188 N HA 0.079 4.838 4.740 0.031 0.000 0.179 188 N C -0.714 174.872 175.510 0.126 0.000 1.019 188 N CA 1.681 54.763 53.050 0.053 0.000 0.869 188 N CB 2.502 41.080 38.487 0.153 0.000 1.000 188 N HN -0.020 8.309 8.380 -0.085 0.000 0.431 189 F N -5.852 114.133 119.950 0.058 0.000 2.631 189 F HA 0.562 5.159 4.527 0.117 0.000 0.328 189 F C -2.415 173.456 175.800 0.118 0.000 1.067 189 F CA -2.183 55.891 58.000 0.124 0.000 0.969 189 F CB 3.007 42.137 39.000 0.217 0.000 1.332 189 F HN -0.583 7.554 8.300 -0.273 0.000 0.490 190 L N 0.129 121.581 121.223 0.382 0.000 2.482 190 L HA 0.526 4.912 4.340 0.077 0.000 0.269 190 L C -2.339 174.682 176.870 0.252 0.000 0.967 190 L CA -0.917 54.044 54.840 0.201 0.000 0.851 190 L CB 4.074 46.190 42.059 0.095 0.000 1.242 190 L HN -0.240 8.301 8.230 0.520 0.000 0.404 191 A N 5.769 128.692 122.820 0.172 0.000 2.303 191 A HA 1.034 5.298 4.320 -0.358 -0.160 0.317 191 A C -1.427 176.090 177.584 -0.112 0.000 1.149 191 A CA -1.927 50.028 52.037 -0.137 0.000 0.822 191 A CB 2.821 21.711 19.000 -0.183 0.000 1.131 191 A HN 0.526 8.798 8.150 0.204 0.000 0.493 192 T N 1.046 115.491 114.554 -0.182 0.000 2.932 192 T HA 0.580 5.049 4.350 -0.081 -0.167 0.318 192 T C -1.134 173.497 174.700 -0.115 0.000 1.265 192 T CA -2.065 59.972 62.100 -0.106 0.000 1.036 192 T CB 1.607 70.437 68.868 -0.065 0.000 1.209 192 T HN 0.135 8.205 8.240 -0.284 0.000 0.484 193 D N 5.184 125.537 120.400 -0.077 0.000 2.340 193 D HA 0.214 4.809 4.640 -0.075 0.000 0.217 193 D C -0.444 175.829 176.300 -0.045 0.000 1.081 193 D CA -1.263 52.700 54.000 -0.063 0.000 0.842 193 D CB -0.167 40.605 40.800 -0.047 0.000 0.934 193 D HN -0.026 8.305 8.370 -0.065 0.000 0.511 194 A N 1.068 123.861 122.820 -0.045 0.000 2.477 194 A HA -0.055 4.249 4.320 -0.027 0.000 0.246 194 A C -0.439 177.132 177.584 -0.023 0.000 1.078 194 A CA 0.487 52.505 52.037 -0.031 0.000 0.770 194 A CB 0.784 19.764 19.000 -0.034 0.000 1.011 194 A HN -0.810 7.260 8.150 -0.051 0.049 0.494 195 S N 1.144 116.837 115.700 -0.011 0.000 2.515 195 S HA -0.104 4.362 4.470 -0.005 0.000 0.285 195 S C -1.046 173.557 174.600 0.005 0.000 1.265 195 S CA 0.308 58.506 58.200 -0.003 0.000 1.079 195 S CB 0.290 63.492 63.200 0.002 0.000 0.877 195 S HN 0.141 8.445 8.310 -0.009 0.000 0.493 196 I N 4.799 125.376 120.570 0.013 0.000 2.406 196 I HA 0.124 4.485 4.170 0.029 -0.174 0.290 196 I C -0.926 175.211 176.117 0.033 0.000 0.999 196 I CA -2.507 58.811 61.300 0.030 0.000 1.124 196 I CB 0.667 38.697 38.000 0.049 0.000 1.289 196 I HN 0.114 8.330 8.210 0.010 0.000 0.441 197 N N 4.899 123.618 118.700 0.032 0.000 3.204 197 N HA 0.166 4.919 4.740 0.021 0.000 0.285 197 N C -0.077 175.451 175.510 0.031 0.000 1.536 197 N CA -0.696 52.369 53.050 0.025 0.000 0.832 197 N CB 0.934 39.431 38.487 0.017 0.000 1.645 197 N HN -0.250 8.420 8.380 0.034 -0.270 0.586 198 H N -2.134 116.949 119.070 0.021 0.000 2.421 198 H HA -0.083 4.503 4.556 0.051 0.000 0.298 198 H C 2.117 177.471 175.328 0.042 0.000 1.087 198 H CA 2.821 58.890 56.048 0.034 0.000 1.330 198 H CB -0.243 29.529 29.762 0.016 0.000 1.388 198 H HN 0.325 8.612 8.280 0.011 0.000 0.526 199 G N -2.478 106.338 108.800 0.027 0.000 2.471 199 G HA2 -0.258 3.712 3.960 0.015 0.000 0.219 199 G HA3 -0.258 3.713 3.960 0.017 0.000 0.219 199 G C -0.505 174.406 174.900 0.018 0.000 1.125 199 G CA 1.246 46.357 45.100 0.019 0.000 0.775 199 G HN 0.034 8.422 8.290 0.023 -0.084 0.548 200 N N -3.727 114.990 118.700 0.028 0.000 2.194 200 N HA 0.067 4.818 4.740 0.019 0.000 0.231 200 N C -0.326 175.210 175.510 0.044 0.000 1.247 200 N CA -1.619 51.447 53.050 0.027 0.000 0.884 200 N CB 1.211 39.712 38.487 0.023 0.000 1.146 200 N HN -0.634 7.729 8.380 0.033 0.037 0.516 201 S N 0.792 116.533 115.700 0.067 0.000 2.488 201 S HA -0.194 4.339 4.470 0.104 0.000 0.278 201 S C -0.015 174.632 174.600 0.079 0.000 1.259 201 S CA 1.638 59.904 58.200 0.111 0.000 1.061 201 S CB -0.104 63.214 63.200 0.196 0.000 0.910 201 S HN -0.492 7.732 8.310 0.067 0.126 0.491 202 G N 6.521 115.355 108.800 0.057 0.000 2.232 202 G HA2 -0.350 3.663 3.960 0.007 0.000 0.226 202 G HA3 -0.350 3.597 3.960 -0.022 0.000 0.226 202 G C -0.419 174.487 174.900 0.009 0.000 0.996 202 G CA -0.273 44.832 45.100 0.009 0.000 0.626 202 G HN 0.194 8.423 8.290 0.072 0.104 0.509 203 G N 0.785 109.596 108.800 0.018 0.000 2.570 203 G HA2 0.142 4.106 3.960 0.005 0.000 0.276 203 G HA3 0.142 4.358 3.960 0.013 -0.248 0.276 203 G C -2.140 172.771 174.900 0.019 0.000 1.346 203 G CA -0.901 44.206 45.100 0.013 0.000 1.034 203 G HN -0.394 7.734 8.290 0.026 0.178 0.512 204 A N -2.554 120.273 122.820 0.013 0.000 2.282 204 A HA 0.533 4.865 4.320 0.019 0.000 0.319 204 A C -2.047 175.543 177.584 0.009 0.000 1.121 204 A CA -1.525 50.519 52.037 0.011 0.000 0.836 204 A CB 2.743 21.743 19.000 -0.000 0.000 1.146 204 A HN -0.300 7.855 8.150 0.009 0.000 0.494 205 L N 1.351 122.578 121.223 0.008 0.000 2.376 205 L HA 1.001 5.539 4.340 -0.009 -0.204 0.275 205 L C -1.897 174.958 176.870 -0.026 0.000 0.987 205 L CA -0.990 53.849 54.840 -0.003 0.000 0.828 205 L CB 3.769 45.838 42.059 0.016 0.000 1.249 205 L HN -0.216 8.022 8.230 0.013 0.000 0.409 206 V N 0.764 120.651 119.914 -0.045 0.000 3.078 206 V HA 0.980 5.197 4.120 -0.084 -0.148 0.311 206 V C -1.834 174.211 176.094 -0.081 0.000 1.138 206 V CA -3.788 58.471 62.300 -0.069 0.000 1.007 206 V CB 4.029 35.815 31.823 -0.062 0.000 1.045 206 V HN 0.442 8.606 8.190 -0.044 0.000 0.432 207 N N 0.646 119.292 118.700 -0.090 0.000 2.431 207 N HA 0.553 5.434 4.740 -0.108 -0.206 0.289 207 N C 2.018 177.480 175.510 -0.080 0.000 1.277 207 N CA -1.692 51.303 53.050 -0.092 0.000 0.972 207 N CB 0.746 39.186 38.487 -0.079 0.000 1.143 207 N HN -0.376 7.945 8.380 -0.098 0.000 0.578 208 S N -1.165 114.493 115.700 -0.070 0.000 2.469 208 S HA -0.200 4.275 4.470 0.009 0.000 0.238 208 S C 0.778 175.403 174.600 0.041 0.000 0.998 208 S CA 2.402 60.608 58.200 0.009 0.000 0.957 208 S CB -0.750 62.499 63.200 0.081 0.000 0.764 208 S HN 0.334 8.600 8.310 -0.073 0.000 0.514 209 L N -2.201 119.021 121.223 -0.001 0.000 2.307 209 L HA 0.068 4.415 4.340 0.012 0.000 0.211 209 L C 0.899 177.759 176.870 -0.017 0.000 1.099 209 L CA 0.736 55.573 54.840 -0.005 0.000 0.816 209 L CB 0.508 42.553 42.059 -0.024 0.000 0.952 209 L HN -0.663 7.719 8.230 -0.023 -0.166 0.455 210 G N -4.129 104.650 108.800 -0.035 0.000 2.201 210 G HA2 -0.411 3.528 3.960 -0.035 0.000 0.212 210 G HA3 -0.411 3.531 3.960 -0.030 0.000 0.212 210 G C -0.602 174.252 174.900 -0.076 0.000 0.994 210 G CA -0.512 44.563 45.100 -0.041 0.000 0.644 210 G HN -0.282 8.071 8.290 -0.043 -0.089 0.508 211 E N 0.512 120.648 120.200 -0.106 0.000 2.392 211 E HA -0.208 4.042 4.350 -0.168 0.000 0.264 211 E C -0.814 175.648 176.600 -0.230 0.000 1.024 211 E CA -0.022 56.271 56.400 -0.177 0.000 0.903 211 E CB 0.655 30.233 29.700 -0.204 0.000 0.963 211 E HN -0.548 7.886 8.360 -0.095 -0.131 0.432 212 L N 3.931 124.975 121.223 -0.299 0.000 2.410 212 L HA -0.180 4.061 4.340 -0.165 0.000 0.273 212 L C -0.722 175.889 176.870 -0.432 0.000 1.144 212 L CA 1.156 55.830 54.840 -0.276 0.000 0.863 212 L CB 0.337 42.276 42.059 -0.200 0.000 1.140 212 L HN -0.118 7.928 8.230 -0.307 0.000 0.463 213 M N 3.675 123.187 119.600 -0.147 0.000 2.653 213 M HA 0.193 4.700 4.480 0.044 0.000 0.259 213 M C -0.050 176.384 176.300 0.223 0.000 1.244 213 M CA 0.109 55.430 55.300 0.035 0.000 1.163 213 M CB 1.830 34.438 32.600 0.013 0.000 1.309 213 M HN 0.551 8.789 8.290 -0.087 0.000 0.509 214 G N -3.832 105.046 108.800 0.130 0.000 2.441 214 G HA2 0.250 4.448 3.960 0.179 0.000 0.294 214 G HA3 0.250 4.282 3.960 0.126 0.004 0.294 214 G C -3.093 171.861 174.900 0.091 0.000 1.393 214 G CA 0.469 45.652 45.100 0.138 0.000 0.796 214 G HN -0.569 7.762 8.290 0.069 0.000 0.494 215 I N -0.971 119.653 120.570 0.090 0.000 2.354 215 I HA 0.472 4.818 4.170 0.058 -0.141 0.286 215 I C -0.250 175.915 176.117 0.080 0.000 1.007 215 I CA -3.170 58.172 61.300 0.070 0.000 1.167 215 I CB 0.458 38.494 38.000 0.059 0.000 1.320 215 I HN -0.249 8.089 8.210 0.098 -0.068 0.458 216 N N 9.421 128.164 118.700 0.071 0.000 2.357 216 N HA -0.134 4.803 4.740 0.099 -0.138 0.257 216 N C -0.270 175.304 175.510 0.106 0.000 1.250 216 N CA 1.346 54.448 53.050 0.087 0.000 0.862 216 N CB 0.019 38.546 38.487 0.066 0.000 1.066 216 N HN 0.133 8.548 8.380 0.058 0.000 0.468 217 T N 0.635 115.270 114.554 0.135 0.000 2.841 217 T HA 0.374 4.819 4.350 0.159 0.000 0.296 217 T C -1.447 173.333 174.700 0.134 0.000 1.166 217 T CA -2.175 60.011 62.100 0.143 0.000 1.007 217 T CB 2.328 71.268 68.868 0.120 0.000 1.253 217 T HN -0.146 8.186 8.240 0.153 0.000 0.511 218 L N 0.384 121.668 121.223 0.101 0.000 2.575 218 L HA 0.301 4.666 4.340 0.041 0.000 0.228 218 L C 0.521 177.365 176.870 -0.043 0.000 1.075 218 L CA 0.045 54.897 54.840 0.019 0.000 0.867 218 L CB 1.180 43.190 42.059 -0.082 0.000 1.097 218 L HN 0.599 8.907 8.230 0.131 0.000 0.485 230 E N 0.057 120.273 120.200 0.026 0.000 2.314 230 E HA 0.088 4.453 4.350 0.026 0.000 0.272 230 E C -0.310 176.292 176.600 0.002 0.000 0.884 230 E CA -0.414 55.996 56.400 0.017 0.000 0.753 230 E CB 1.740 31.446 29.700 0.010 0.000 1.213 230 E HN -0.422 7.948 8.360 0.017 0.000 0.432 231 G N 0.325 109.124 108.800 -0.001 0.000 2.225 231 G HA2 -0.203 3.751 3.960 -0.010 0.000 0.254 231 G HA3 -0.203 3.747 3.960 -0.016 0.000 0.254 231 G C -0.976 173.901 174.900 -0.038 0.000 0.988 231 G CA -0.284 44.807 45.100 -0.015 0.000 0.625 231 G HN 0.086 8.379 8.290 0.006 0.000 0.527 232 I N 0.907 121.444 120.570 -0.054 0.000 2.441 232 I HA 0.249 4.333 4.170 -0.142 0.000 0.295 232 I C -0.044 175.975 176.117 -0.163 0.000 0.994 232 I CA -2.010 59.202 61.300 -0.146 0.000 1.144 232 I CB 1.484 39.345 38.000 -0.232 0.000 1.314 232 I HN -0.514 7.605 8.210 -0.029 0.073 0.445 233 G N 2.644 111.313 108.800 -0.218 0.000 2.489 233 G HA2 0.607 4.581 3.960 0.024 0.000 0.327 233 G HA3 0.607 4.537 3.960 -0.049 0.000 0.327 233 G C -2.647 172.063 174.900 -0.317 0.000 1.189 233 G CA -1.252 43.776 45.100 -0.120 0.000 0.962 233 G HN 0.533 8.693 8.290 -0.217 0.000 0.486 234 F N -1.714 118.254 119.950 0.029 0.000 2.546 234 F HA 0.815 5.549 4.527 0.082 -0.157 0.320 234 F C -1.662 174.178 175.800 0.067 0.000 1.076 234 F CA -1.556 56.478 58.000 0.057 0.000 0.928 234 F CB 4.664 43.686 39.000 0.036 0.000 1.189 234 F HN -0.104 8.370 8.300 0.290 0.000 0.465 235 A N -0.361 122.622 122.820 0.272 0.000 2.498 235 A HA 0.677 5.251 4.320 0.170 -0.152 0.298 235 A C -2.482 175.216 177.584 0.191 0.000 1.075 235 A CA -2.006 50.142 52.037 0.185 0.000 0.714 235 A CB 3.972 23.043 19.000 0.119 0.000 1.299 235 A HN 0.706 9.036 8.150 0.300 0.000 0.407 236 I N 1.448 122.101 120.570 0.139 0.000 2.325 236 I HA 0.377 4.623 4.170 0.126 0.000 0.291 236 I C -1.532 174.638 176.117 0.088 0.000 1.019 236 I CA -2.646 58.720 61.300 0.110 0.000 1.302 236 I CB 1.081 39.129 38.000 0.079 0.000 1.401 236 I HN -0.257 8.027 8.210 0.123 0.000 0.485 237 P HA -0.051 4.563 4.420 0.079 -0.147 0.264 237 P C 0.885 178.185 177.300 -0.000 0.000 1.179 237 P CA 0.188 63.298 63.100 0.016 0.000 0.763 237 P CB 0.188 31.834 31.700 -0.090 0.000 0.806 238 F N 3.456 123.397 119.950 -0.015 0.000 2.365 238 F HA -0.280 4.240 4.527 -0.011 0.000 0.300 238 F C 1.252 177.040 175.800 -0.021 0.000 1.090 238 F CA 2.956 60.946 58.000 -0.016 0.000 1.408 238 F CB -0.278 38.711 39.000 -0.020 0.000 1.060 238 F HN -0.147 8.369 8.300 0.359 0.000 0.534 239 Q N -0.740 118.522 119.800 -0.896 0.000 2.123 239 Q HA -0.270 3.719 4.340 -0.584 0.000 0.199 239 Q C 2.167 178.003 176.000 -0.273 0.000 0.966 239 Q CA 2.938 58.355 55.803 -0.642 0.000 0.845 239 Q CB -0.930 27.408 28.738 -0.667 0.000 0.907 239 Q HN 0.138 7.733 8.270 -1.079 0.027 0.439 240 L N -0.309 120.791 121.223 -0.204 0.000 2.131 240 L HA -0.150 4.127 4.340 -0.105 0.000 0.206 240 L C 1.037 177.870 176.870 -0.061 0.000 1.087 240 L CA 2.175 56.950 54.840 -0.107 0.000 0.767 240 L CB -0.570 41.443 42.059 -0.077 0.000 0.917 240 L HN -0.763 7.332 8.230 -0.225 0.000 0.441 241 A N -1.468 121.330 122.820 -0.036 0.000 1.902 241 A HA -0.325 3.994 4.320 -0.001 0.000 0.217 241 A C 1.947 179.529 177.584 -0.004 0.000 1.181 241 A CA 3.337 55.376 52.037 0.002 0.000 0.623 241 A CB -0.899 18.128 19.000 0.045 0.000 0.818 241 A HN -0.055 8.070 8.150 -0.041 0.000 0.443 242 T N 0.572 115.124 114.554 -0.004 0.000 2.652 242 T HA -0.478 3.876 4.350 0.006 0.000 0.267 242 T C 1.948 176.626 174.700 -0.037 0.000 1.039 242 T CA 5.235 67.332 62.100 -0.006 0.000 1.153 242 T CB -0.111 68.763 68.868 0.009 0.000 0.863 242 T HN -0.343 7.893 8.240 -0.008 0.000 0.428 243 K N 0.852 121.222 120.400 -0.051 0.000 2.063 243 K HA -0.289 4.000 4.320 -0.053 0.000 0.208 243 K C 2.556 179.126 176.600 -0.050 0.000 1.048 243 K CA 3.451 59.706 56.287 -0.053 0.000 0.928 243 K CB -0.182 32.283 32.500 -0.059 0.000 0.713 243 K HN -0.820 7.393 8.250 -0.061 0.000 0.442 244 I N -0.806 119.738 120.570 -0.043 0.000 2.315 244 I HA -0.488 3.659 4.170 -0.038 0.000 0.248 244 I C 1.627 177.715 176.117 -0.048 0.000 1.117 244 I CA 3.823 65.100 61.300 -0.038 0.000 1.404 244 I CB -0.012 37.973 38.000 -0.026 0.000 1.071 244 I HN -0.429 7.756 8.210 -0.041 0.000 0.419 245 M N 1.491 121.058 119.600 -0.054 0.000 2.086 245 M HA -0.535 3.902 4.480 -0.072 0.000 0.261 245 M C 1.300 177.524 176.300 -0.126 0.000 1.067 245 M CA 4.462 59.713 55.300 -0.081 0.000 1.116 245 M CB -0.075 32.479 32.600 -0.076 0.000 1.348 245 M HN -0.444 7.819 8.290 -0.045 0.000 0.407 246 D N -0.890 119.442 120.400 -0.114 0.000 2.123 246 D HA -0.385 4.152 4.640 -0.171 0.000 0.196 246 D C 2.309 178.548 176.300 -0.102 0.000 0.992 246 D CA 3.407 57.333 54.000 -0.125 0.000 0.833 246 D CB -0.580 40.167 40.800 -0.088 0.000 0.954 246 D HN -0.390 7.926 8.370 -0.091 0.000 0.455 247 K N -1.662 118.694 120.400 -0.074 0.000 2.211 247 K HA -0.097 4.192 4.320 -0.052 0.000 0.203 247 K C 1.958 178.526 176.600 -0.054 0.000 1.050 247 K CA 2.412 58.666 56.287 -0.055 0.000 0.945 247 K CB -0.481 31.994 32.500 -0.042 0.000 0.732 247 K HN -0.573 7.636 8.250 -0.068 0.000 0.451 248 L N -2.221 118.963 121.223 -0.064 0.000 2.209 248 L HA -0.214 4.105 4.340 -0.035 0.000 0.207 248 L C 1.645 178.478 176.870 -0.062 0.000 1.094 248 L CA 2.217 57.026 54.840 -0.051 0.000 0.790 248 L CB 0.195 42.228 42.059 -0.043 0.000 0.932 248 L HN -0.799 7.258 8.230 -0.073 0.129 0.447 249 I N -2.005 118.492 120.570 -0.122 0.000 2.286 249 I HA -0.552 3.548 4.170 -0.116 0.000 0.245 249 I C 2.103 178.173 176.117 -0.078 0.000 1.104 249 I CA 3.491 64.696 61.300 -0.159 0.000 1.397 249 I CB -0.050 37.724 38.000 -0.376 0.000 1.072 249 I HN -0.298 7.732 8.210 -0.146 0.093 0.417 250 R N -0.765 119.691 120.500 -0.074 0.000 2.062 250 R HA -0.294 4.025 4.340 -0.035 0.000 0.229 250 R C 2.343 178.629 176.300 -0.024 0.000 1.128 250 R CA 3.387 59.462 56.100 -0.043 0.000 0.960 250 R CB 0.134 30.408 30.300 -0.044 0.000 0.855 250 R HN -0.334 7.884 8.270 -0.086 0.000 0.432 251 D N -2.982 117.403 120.400 -0.025 0.000 2.363 251 D HA -0.023 4.609 4.640 -0.012 0.000 0.226 251 D C 0.854 177.149 176.300 -0.007 0.000 1.020 251 D CA 1.284 55.275 54.000 -0.015 0.000 0.892 251 D CB -0.561 40.229 40.800 -0.017 0.000 0.900 251 D HN -0.482 7.868 8.370 -0.033 0.000 0.531 252 G N -2.231 106.567 108.800 -0.004 0.000 2.464 252 G HA2 -0.103 3.863 3.960 0.009 0.000 0.217 252 G HA3 -0.103 3.867 3.960 0.017 0.000 0.217 252 G C 0.128 175.036 174.900 0.014 0.000 1.138 252 G CA 0.244 45.349 45.100 0.010 0.000 0.793 252 G HN -0.645 7.573 8.290 -0.011 0.065 0.539 253 R N 1.994 122.501 120.500 0.012 0.000 2.891 253 R HA 0.112 4.462 4.340 0.016 0.000 0.248 253 R C -1.208 175.096 176.300 0.006 0.000 1.439 253 R CA -0.181 55.927 56.100 0.013 0.000 1.288 253 R CB -1.222 29.087 30.300 0.014 0.000 1.212 253 R HN -0.595 7.680 8.270 0.007 0.000 0.605 254 V N 0.550 120.468 119.914 0.006 0.000 3.000 254 V HA 0.056 4.178 4.120 0.003 0.000 0.300 254 V C -0.086 176.011 176.094 0.004 0.000 1.251 254 V CA -0.632 61.670 62.300 0.003 0.000 0.972 254 V CB 3.159 34.983 31.823 0.001 0.000 1.065 254 V HN -0.461 7.734 8.190 0.008 0.000 0.431 255 I N 0.000 120.572 120.570 0.003 0.000 2.984 255 I HA 0.000 4.173 4.170 0.005 0.000 0.288 255 I CA 0.000 61.302 61.300 0.004 0.000 1.566 255 I CB 0.000 38.002 38.000 0.003 0.000 1.214 255 I HN 0.000 8.212 8.210 0.003 0.000 0.494