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 2j45_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVARD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGMGDV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.452 4.480 -0.047 0.000 0.227 1 M C 0.000 176.272 176.300 -0.046 0.000 1.140 1 M CA 0.000 55.196 55.300 -0.173 0.000 0.988 1 M CB 0.000 32.318 32.600 -0.470 0.000 1.302 2 F N -4.901 115.063 119.950 0.023 0.000 3.040 2 F HA -0.346 4.331 4.527 0.014 -0.141 0.298 2 F C -0.022 175.783 175.800 0.009 0.000 0.948 2 F CA -0.163 57.847 58.000 0.016 0.000 1.022 2 F CB -3.556 35.457 39.000 0.021 0.000 1.023 2 F HN 0.948 9.508 8.300 0.433 0.000 0.742 3 Q N 0.183 120.087 119.800 0.173 0.000 2.046 3 Q HA -0.475 3.917 4.340 0.086 0.000 0.200 3 Q C 1.605 177.647 176.000 0.071 0.000 0.975 3 Q CA 3.943 59.803 55.803 0.095 0.000 0.836 3 Q CB 0.148 28.924 28.738 0.064 0.000 0.896 3 Q HN 0.189 8.560 8.270 0.170 0.000 0.428 4 Q N -0.683 119.152 119.800 0.060 0.000 2.061 4 Q HA -0.421 3.934 4.340 0.024 0.000 0.204 4 Q C 2.103 178.115 176.000 0.019 0.000 0.984 4 Q CA 3.553 59.373 55.803 0.029 0.000 0.846 4 Q CB -0.156 28.590 28.738 0.013 0.000 0.902 4 Q HN -0.471 7.841 8.270 0.068 0.000 0.421 5 L N -1.282 119.955 121.223 0.022 0.000 2.072 5 L HA -0.239 4.086 4.340 -0.025 0.000 0.205 5 L C 1.430 178.318 176.870 0.030 0.000 1.079 5 L CA 2.992 57.831 54.840 -0.001 0.000 0.752 5 L CB -0.297 41.737 42.059 -0.041 0.000 0.906 5 L HN -0.665 7.584 8.230 0.032 0.000 0.436 6 S N 0.348 116.092 115.700 0.074 0.000 2.365 6 S HA -0.358 4.256 4.470 0.076 -0.099 0.225 6 S C 1.989 176.615 174.600 0.043 0.000 1.039 6 S CA 3.590 61.833 58.200 0.072 0.000 1.033 6 S CB -0.796 62.455 63.200 0.086 0.000 0.887 6 S HN 0.100 8.473 8.310 0.105 0.000 0.447 7 A N 2.056 124.896 122.820 0.034 0.000 1.902 7 A HA -0.384 3.949 4.320 0.022 0.000 0.217 7 A C 2.110 179.703 177.584 0.016 0.000 1.181 7 A CA 3.153 55.203 52.037 0.022 0.000 0.623 7 A CB -0.608 18.403 19.000 0.019 0.000 0.818 7 A HN -0.083 8.090 8.150 0.038 0.000 0.443 8 R N -2.085 118.422 120.500 0.010 0.000 2.075 8 R HA -0.302 4.041 4.340 0.004 0.000 0.232 8 R C 2.696 179.001 176.300 0.008 0.000 1.126 8 R CA 3.572 59.674 56.100 0.004 0.000 0.963 8 R CB 0.060 30.355 30.300 -0.008 0.000 0.858 8 R HN -0.482 7.794 8.270 0.010 0.000 0.435 9 L N -1.037 120.194 121.223 0.013 0.000 2.093 9 L HA -0.390 3.965 4.340 0.025 0.000 0.208 9 L C 1.811 178.700 176.870 0.032 0.000 1.085 9 L CA 3.191 58.047 54.840 0.026 0.000 0.755 9 L CB -0.359 41.724 42.059 0.040 0.000 0.904 9 L HN 0.383 8.620 8.230 0.013 0.000 0.435 10 Q N -1.745 118.072 119.800 0.028 0.000 2.119 10 Q HA -0.408 3.946 4.340 0.024 0.000 0.201 10 Q C 2.575 178.585 176.000 0.017 0.000 0.972 10 Q CA 3.594 59.410 55.803 0.023 0.000 0.847 10 Q CB -0.228 28.521 28.738 0.019 0.000 0.903 10 Q HN -0.029 8.258 8.270 0.029 0.000 0.433 11 E N 0.282 120.490 120.200 0.014 0.000 2.047 11 E HA -0.301 4.054 4.350 0.010 0.000 0.191 11 E C 1.819 178.426 176.600 0.013 0.000 0.987 11 E CA 2.463 58.870 56.400 0.011 0.000 0.799 11 E CB -0.575 29.130 29.700 0.009 0.000 0.752 11 E HN -0.222 8.147 8.360 0.015 0.000 0.449 12 A N -1.491 121.339 122.820 0.016 0.000 1.940 12 A HA -0.226 4.103 4.320 0.015 0.000 0.219 12 A C 1.814 179.411 177.584 0.023 0.000 1.176 12 A CA 2.954 55.003 52.037 0.019 0.000 0.631 12 A CB -0.377 18.636 19.000 0.022 0.000 0.814 12 A HN -0.339 7.821 8.150 0.016 0.000 0.446 13 I N -3.915 116.671 120.570 0.026 0.000 2.277 13 I HA -0.222 3.965 4.170 0.028 0.000 0.243 13 I C 2.444 178.570 176.117 0.015 0.000 1.094 13 I CA 2.784 64.099 61.300 0.025 0.000 1.393 13 I CB 0.345 38.364 38.000 0.031 0.000 1.078 13 I HN -0.459 7.758 8.210 0.027 0.010 0.417 14 G N -0.968 107.839 108.800 0.012 0.000 2.422 14 G HA2 -0.250 3.713 3.960 0.005 0.000 0.218 14 G HA3 -0.250 3.712 3.960 0.004 0.000 0.218 14 G C 1.170 176.074 174.900 0.006 0.000 1.140 14 G CA 1.671 46.775 45.100 0.006 0.000 0.775 14 G HN 0.074 8.372 8.290 0.013 0.000 0.545 15 R N -0.564 119.941 120.500 0.008 0.000 2.293 15 R HA -0.224 4.119 4.340 0.005 0.000 0.219 15 R C 1.007 177.311 176.300 0.006 0.000 1.091 15 R CA 1.935 58.039 56.100 0.006 0.000 1.004 15 R CB -0.835 29.469 30.300 0.007 0.000 0.865 15 R HN -0.354 7.907 8.270 0.009 0.015 0.469 16 L N -3.241 117.987 121.223 0.008 0.000 2.341 16 L HA -0.014 4.330 4.340 0.007 0.000 0.214 16 L C 0.206 177.079 176.870 0.005 0.000 1.115 16 L CA 0.636 55.480 54.840 0.008 0.000 0.820 16 L CB 0.280 42.345 42.059 0.010 0.000 0.944 16 L HN -0.653 7.539 8.230 0.009 0.044 0.452 17 R N -0.329 120.173 120.500 0.004 0.000 2.522 17 R HA -0.236 4.104 4.340 0.001 0.000 0.284 17 R C 0.757 177.058 176.300 0.000 0.000 1.032 17 R CA 1.744 57.845 56.100 0.001 0.000 1.049 17 R CB -0.113 30.187 30.300 -0.001 0.000 0.956 17 R HN -0.730 7.388 8.270 0.004 0.155 0.422 18 G N 1.990 110.790 108.800 -0.000 0.000 2.175 18 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.265 18 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.265 18 G C 0.392 175.292 174.900 0.001 0.000 0.979 18 G CA 0.661 45.761 45.100 -0.000 0.000 0.663 18 G HN 0.473 8.763 8.290 -0.001 0.000 0.533 19 R N 0.465 120.966 120.500 0.002 0.000 2.362 19 R HA 0.074 4.415 4.340 0.002 0.000 0.227 19 R C -0.289 176.012 176.300 0.002 0.000 0.905 19 R CA -0.895 55.206 56.100 0.002 0.000 1.067 19 R CB 0.701 31.003 30.300 0.003 0.000 1.078 19 R HN -0.650 7.544 8.270 0.002 0.076 0.516 20 G N -1.001 107.800 108.800 0.002 0.000 2.587 20 G HA2 -0.279 3.683 3.960 0.002 0.000 0.212 20 G HA3 -0.279 3.682 3.960 0.002 0.000 0.212 20 G C -1.419 173.483 174.900 0.003 0.000 1.327 20 G CA -0.852 44.249 45.100 0.002 0.000 0.898 20 G HN -0.555 7.736 8.290 0.002 0.000 0.551 21 R N -0.238 120.263 120.500 0.003 0.000 2.679 21 R HA -0.058 4.430 4.340 0.004 -0.145 0.268 21 R C -0.646 175.657 176.300 0.005 0.000 1.044 21 R CA 0.867 56.969 56.100 0.004 0.000 1.105 21 R CB 0.620 30.922 30.300 0.003 0.000 0.989 21 R HN 0.045 8.317 8.270 0.003 0.000 0.447 22 I N 1.799 122.372 120.570 0.006 0.000 2.412 22 I HA 0.164 4.338 4.170 0.006 0.000 0.296 22 I C -1.163 174.958 176.117 0.006 0.000 0.987 22 I CA -1.235 60.069 61.300 0.007 0.000 1.180 22 I CB 2.739 40.744 38.000 0.009 0.000 1.340 22 I HN 0.492 8.706 8.210 0.006 0.000 0.455 23 T N 4.632 119.190 114.554 0.006 0.000 2.868 23 T HA 0.063 4.416 4.350 0.005 0.000 0.292 23 T C 0.351 175.055 174.700 0.007 0.000 1.028 23 T CA -0.820 61.283 62.100 0.006 0.000 1.059 23 T CB 1.836 70.707 68.868 0.005 0.000 0.991 23 T HN 0.282 8.526 8.240 0.006 0.000 0.531 24 E N 3.396 123.600 120.200 0.006 0.000 2.118 24 E HA -0.442 3.913 4.350 0.008 0.000 0.195 24 E C 1.461 178.066 176.600 0.008 0.000 0.992 24 E CA 4.262 60.666 56.400 0.007 0.000 0.804 24 E CB -0.174 29.530 29.700 0.006 0.000 0.741 24 E HN 0.813 9.177 8.360 0.006 0.000 0.458 25 E N -2.039 118.166 120.200 0.007 0.000 2.058 25 E HA -0.337 4.017 4.350 0.007 0.000 0.194 25 E C 2.567 179.172 176.600 0.009 0.000 0.997 25 E CA 3.033 59.437 56.400 0.007 0.000 0.801 25 E CB -0.575 29.129 29.700 0.006 0.000 0.746 25 E HN -0.401 7.953 8.360 0.006 0.010 0.450 26 D N -0.195 120.210 120.400 0.009 0.000 2.178 26 D HA -0.211 4.434 4.640 0.009 0.000 0.202 26 D C 1.978 178.285 176.300 0.013 0.000 0.974 26 D CA 3.485 57.491 54.000 0.010 0.000 0.841 26 D CB -0.109 40.696 40.800 0.009 0.000 0.953 26 D HN -0.534 7.695 8.370 0.008 0.145 0.478 27 L N 0.302 121.533 121.223 0.013 0.000 2.027 27 L HA -0.253 4.098 4.340 0.018 0.000 0.206 27 L C 0.885 177.766 176.870 0.019 0.000 1.074 27 L CA 3.186 58.036 54.840 0.016 0.000 0.745 27 L CB -0.197 41.871 42.059 0.015 0.000 0.898 27 L HN -0.207 7.930 8.230 0.011 0.100 0.433 28 K N -2.309 118.101 120.400 0.016 0.000 2.063 28 K HA -0.386 3.946 4.320 0.019 0.000 0.208 28 K C 2.409 179.020 176.600 0.017 0.000 1.048 28 K CA 2.380 58.677 56.287 0.017 0.000 0.928 28 K CB -1.508 31.000 32.500 0.013 0.000 0.713 28 K HN 0.003 8.261 8.250 0.013 0.000 0.442 29 A N -0.655 122.174 122.820 0.015 0.000 1.858 29 A HA -0.308 4.019 4.320 0.012 0.000 0.216 29 A C 1.978 179.572 177.584 0.017 0.000 1.190 29 A CA 3.075 55.120 52.037 0.013 0.000 0.617 29 A CB -0.924 18.082 19.000 0.010 0.000 0.827 29 A HN -0.015 8.128 8.150 0.013 0.015 0.443 30 T N 2.197 116.763 114.554 0.020 0.000 2.665 30 T HA -0.379 3.984 4.350 0.023 0.000 0.268 30 T C 1.830 176.551 174.700 0.035 0.000 1.035 30 T CA 5.349 67.465 62.100 0.026 0.000 1.151 30 T CB -0.451 68.434 68.868 0.028 0.000 0.862 30 T HN -0.385 7.785 8.240 0.019 0.082 0.438 31 L N -0.290 120.956 121.223 0.038 0.000 2.046 31 L HA -0.420 3.961 4.340 0.069 0.000 0.208 31 L C 1.890 178.784 176.870 0.041 0.000 1.077 31 L CA 3.281 58.151 54.840 0.051 0.000 0.747 31 L CB -0.672 41.415 42.059 0.048 0.000 0.896 31 L HN -0.185 8.064 8.230 0.033 0.000 0.432 32 R N -1.781 118.735 120.500 0.026 0.000 2.083 32 R HA -0.460 3.889 4.340 0.015 0.000 0.237 32 R C 2.286 178.591 176.300 0.008 0.000 1.137 32 R CA 3.897 60.006 56.100 0.015 0.000 0.951 32 R CB -0.401 29.906 30.300 0.010 0.000 0.851 32 R HN -0.025 8.259 8.270 0.024 0.000 0.434 33 E N -0.609 119.597 120.200 0.010 0.000 2.106 33 E HA -0.269 4.079 4.350 -0.003 0.000 0.192 33 E C 2.199 178.796 176.600 -0.004 0.000 0.984 33 E CA 2.485 58.887 56.400 0.002 0.000 0.806 33 E CB -0.686 29.018 29.700 0.006 0.000 0.750 33 E HN -0.542 7.827 8.360 0.014 0.000 0.458 34 I N -0.060 120.517 120.570 0.011 0.000 2.226 34 I HA -0.603 3.556 4.170 -0.018 0.000 0.245 34 I C 1.695 177.784 176.117 -0.047 0.000 1.100 34 I CA 4.704 66.003 61.300 -0.001 0.000 1.374 34 I CB -0.260 37.781 38.000 0.068 0.000 1.057 34 I HN -0.226 7.999 8.210 0.025 0.000 0.413 35 R N -0.686 119.805 120.500 -0.015 0.000 2.081 35 R HA -0.426 3.882 4.340 -0.054 0.000 0.235 35 R C 2.007 178.275 176.300 -0.053 0.000 1.131 35 R CA 3.902 59.982 56.100 -0.033 0.000 0.960 35 R CB -0.184 30.116 30.300 0.000 0.000 0.856 35 R HN -0.200 8.077 8.270 0.011 0.000 0.436 36 R N -0.808 119.670 120.500 -0.037 0.000 2.081 36 R HA -0.333 3.984 4.340 -0.038 0.000 0.235 36 R C 1.876 178.143 176.300 -0.055 0.000 1.131 36 R CA 3.544 59.620 56.100 -0.039 0.000 0.960 36 R CB -0.200 30.085 30.300 -0.024 0.000 0.856 36 R HN 0.112 8.367 8.270 -0.024 0.000 0.436 37 A N -1.008 121.775 122.820 -0.062 0.000 1.902 37 A HA -0.258 4.027 4.320 -0.059 0.000 0.217 37 A C 2.223 179.740 177.584 -0.112 0.000 1.181 37 A CA 3.048 55.041 52.037 -0.073 0.000 0.623 37 A CB -0.506 18.455 19.000 -0.066 0.000 0.818 37 A HN -0.176 7.941 8.150 -0.054 0.000 0.443 38 L N -2.355 118.775 121.223 -0.155 0.000 2.046 38 L HA -0.483 3.722 4.340 -0.224 0.000 0.208 38 L C 2.352 179.131 176.870 -0.152 0.000 1.077 38 L CA 3.101 57.817 54.840 -0.206 0.000 0.747 38 L CB -0.317 41.566 42.059 -0.295 0.000 0.896 38 L HN -0.324 7.812 8.230 -0.157 0.000 0.432 39 M N -1.088 118.444 119.600 -0.113 0.000 2.108 39 M HA -0.278 4.147 4.480 -0.092 0.000 0.261 39 M C 2.970 179.223 176.300 -0.079 0.000 1.066 39 M CA 0.902 56.150 55.300 -0.087 0.000 1.107 39 M CB -1.315 31.247 32.600 -0.064 0.000 1.356 39 M HN 0.130 8.357 8.290 -0.105 0.000 0.406 40 D N -0.874 119.482 120.400 -0.073 0.000 2.371 40 D HA -0.085 4.523 4.640 -0.052 0.000 0.221 40 D C 0.333 176.591 176.300 -0.071 0.000 0.986 40 D CA 1.805 55.769 54.000 -0.060 0.000 0.899 40 D CB -0.047 40.724 40.800 -0.047 0.000 0.902 40 D HN -0.196 8.130 8.370 -0.074 0.000 0.530 41 A N -3.337 119.424 122.820 -0.099 0.000 2.337 41 A HA -0.085 4.170 4.320 -0.108 0.000 0.227 41 A C -1.549 175.955 177.584 -0.132 0.000 1.259 41 A CA -0.839 51.122 52.037 -0.125 0.000 0.870 41 A CB 0.560 19.457 19.000 -0.170 0.000 0.927 41 A HN -0.747 7.164 8.150 -0.110 0.174 0.497 42 D N -4.809 115.528 120.400 -0.104 0.000 2.870 42 D HA -0.370 4.222 4.640 -0.080 0.000 0.228 42 D C -0.753 175.479 176.300 -0.113 0.000 1.147 42 D CA 1.032 54.976 54.000 -0.094 0.000 0.757 42 D CB -1.094 39.660 40.800 -0.077 0.000 1.091 42 D HN -0.359 7.635 8.370 -0.092 0.321 0.429 43 V N -0.265 119.569 119.914 -0.135 0.000 2.637 43 V HA -0.181 3.854 4.120 -0.142 0.000 0.296 43 V C 0.083 176.106 176.094 -0.120 0.000 1.046 43 V CA 0.418 62.632 62.300 -0.143 0.000 1.066 43 V CB 0.161 31.875 31.823 -0.181 0.000 0.968 43 V HN -0.525 7.549 8.190 -0.141 0.031 0.483 44 N N 5.730 124.359 118.700 -0.118 0.000 2.356 44 N HA -0.315 4.500 4.740 -0.084 -0.125 0.252 44 N C 0.841 176.277 175.510 -0.123 0.000 1.241 44 N CA 0.866 53.850 53.050 -0.110 0.000 0.861 44 N CB 1.881 40.296 38.487 -0.120 0.000 1.075 44 N HN -0.342 7.967 8.380 -0.119 0.000 0.461 45 L N 4.925 126.096 121.223 -0.088 0.000 2.046 45 L HA -0.157 4.138 4.340 -0.074 0.000 0.208 45 L C 1.613 178.433 176.870 -0.082 0.000 1.077 45 L CA 3.101 57.897 54.840 -0.073 0.000 0.747 45 L CB 0.134 42.166 42.059 -0.045 0.000 0.896 45 L HN 0.624 8.811 8.230 -0.071 0.000 0.432 46 E N -1.565 118.578 120.200 -0.095 0.000 2.077 46 E HA -0.390 3.939 4.350 -0.035 0.000 0.193 46 E C 1.925 178.404 176.600 -0.201 0.000 0.989 46 E CA 3.129 59.475 56.400 -0.090 0.000 0.800 46 E CB -0.224 29.468 29.700 -0.013 0.000 0.746 46 E HN -0.600 7.833 8.360 -0.087 -0.126 0.452 47 V N 0.438 120.107 119.914 -0.409 0.000 2.287 47 V HA -0.431 3.393 4.120 -0.493 0.000 0.248 47 V C 1.945 177.979 176.094 -0.101 0.000 1.053 47 V CA 3.907 65.973 62.300 -0.389 0.000 1.027 47 V CB -0.497 31.099 31.823 -0.379 0.000 0.646 47 V HN -0.816 7.309 8.190 -0.417 -0.185 0.447 48 A N -1.291 121.469 122.820 -0.101 0.000 1.902 48 A HA -0.346 3.925 4.320 -0.081 0.000 0.217 48 A C 2.199 179.800 177.584 0.028 0.000 1.181 48 A CA 3.313 55.314 52.037 -0.060 0.000 0.623 48 A CB -0.744 18.197 19.000 -0.099 0.000 0.818 48 A HN -0.066 8.005 8.150 -0.131 0.000 0.443 49 R N -2.194 118.312 120.500 0.009 0.000 2.075 49 R HA -0.370 3.994 4.340 0.041 0.000 0.232 49 R C 2.410 178.751 176.300 0.068 0.000 1.126 49 R CA 3.609 59.731 56.100 0.036 0.000 0.963 49 R CB -0.184 30.127 30.300 0.017 0.000 0.858 49 R HN -0.310 7.947 8.270 -0.021 0.000 0.435 50 D N -0.673 119.769 120.400 0.070 0.000 2.144 50 D HA -0.207 4.477 4.640 0.073 0.000 0.200 50 D C 1.872 178.241 176.300 0.116 0.000 0.978 50 D CA 3.255 57.309 54.000 0.090 0.000 0.833 50 D CB -0.461 40.409 40.800 0.117 0.000 0.961 50 D HN -0.230 8.166 8.370 0.043 0.000 0.470 51 F N 1.288 121.231 119.950 -0.011 0.000 2.075 51 F HA -0.309 4.221 4.527 0.005 0.000 0.297 51 F C 1.236 177.037 175.800 0.002 0.000 1.113 51 F CA 3.759 61.757 58.000 -0.004 0.000 1.218 51 F CB 0.330 39.320 39.000 -0.017 0.000 0.984 51 F HN -0.200 8.259 8.300 0.265 0.000 0.472 52 V N -4.316 115.786 119.914 0.313 0.000 2.871 52 V HA -0.360 3.894 4.120 0.223 0.000 0.256 52 V C 1.213 177.353 176.094 0.075 0.000 1.082 52 V CA 3.177 65.594 62.300 0.196 0.000 1.105 52 V CB -0.673 31.249 31.823 0.165 0.000 0.713 52 V HN -0.623 7.744 8.190 0.295 0.000 0.473 53 E N 1.523 121.757 120.200 0.056 0.000 2.072 53 E HA -0.353 4.010 4.350 0.023 0.000 0.191 53 E C 1.601 178.195 176.600 -0.010 0.000 0.985 53 E CA 2.812 59.226 56.400 0.023 0.000 0.801 53 E CB -0.351 29.365 29.700 0.027 0.000 0.750 53 E HN -0.381 8.023 8.360 0.073 0.000 0.452 54 R N -0.163 120.312 120.500 -0.041 0.000 2.082 54 R HA -0.273 4.029 4.340 -0.063 0.000 0.234 54 R C 2.271 178.510 176.300 -0.102 0.000 1.136 54 R CA 2.539 58.584 56.100 -0.091 0.000 0.935 54 R CB -0.757 29.445 30.300 -0.164 0.000 0.842 54 R HN -0.312 7.938 8.270 -0.033 0.000 0.430 55 V N -0.677 119.156 119.914 -0.135 0.000 2.324 55 V HA -0.504 3.548 4.120 -0.115 0.000 0.250 55 V C 1.818 177.894 176.094 -0.031 0.000 1.060 55 V CA 4.717 66.961 62.300 -0.093 0.000 1.042 55 V CB -0.541 31.248 31.823 -0.057 0.000 0.650 55 V HN -0.300 7.795 8.190 -0.157 0.000 0.450 56 R N -0.183 120.311 120.500 -0.010 0.000 2.088 56 R HA -0.533 3.811 4.340 0.007 0.000 0.232 56 R C 1.696 177.992 176.300 -0.007 0.000 1.136 56 R CA 4.115 60.216 56.100 0.001 0.000 0.926 56 R CB -0.126 30.180 30.300 0.010 0.000 0.837 56 R HN 0.087 8.354 8.270 -0.004 0.000 0.429 57 E N -1.048 119.144 120.200 -0.013 0.000 2.097 57 E HA -0.363 3.983 4.350 -0.007 0.000 0.196 57 E C 2.532 179.123 176.600 -0.016 0.000 1.000 57 E CA 3.284 59.677 56.400 -0.012 0.000 0.804 57 E CB -0.325 29.366 29.700 -0.015 0.000 0.740 57 E HN -0.331 8.020 8.360 -0.015 0.000 0.454 58 E N -0.754 119.430 120.200 -0.026 0.000 2.047 58 E HA -0.353 3.984 4.350 -0.021 0.000 0.191 58 E C 2.408 178.999 176.600 -0.014 0.000 0.987 58 E CA 2.550 58.935 56.400 -0.025 0.000 0.799 58 E CB -0.383 29.292 29.700 -0.041 0.000 0.752 58 E HN -0.108 8.226 8.360 -0.034 0.006 0.449 59 A N -0.179 122.634 122.820 -0.012 0.000 1.908 59 A HA -0.287 4.033 4.320 0.000 0.000 0.218 59 A C 2.255 179.839 177.584 0.000 0.000 1.181 59 A CA 3.198 55.234 52.037 -0.002 0.000 0.627 59 A CB -0.633 18.369 19.000 0.004 0.000 0.818 59 A HN 0.099 8.239 8.150 -0.015 0.000 0.445 60 L N -3.337 117.886 121.223 -0.001 0.000 2.131 60 L HA -0.336 4.005 4.340 0.002 0.000 0.210 60 L C 3.044 179.913 176.870 -0.001 0.000 1.092 60 L CA 2.388 57.228 54.840 0.000 0.000 0.759 60 L CB -0.440 41.619 42.059 0.000 0.000 0.903 60 L HN -0.115 8.114 8.230 -0.002 0.000 0.435 61 G N -1.345 107.453 108.800 -0.004 0.000 2.443 61 G HA2 -0.239 3.717 3.960 -0.005 0.000 0.219 61 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.219 61 G C 0.301 175.200 174.900 -0.002 0.000 1.131 61 G CA 1.377 46.475 45.100 -0.004 0.000 0.775 61 G HN -0.069 8.125 8.290 -0.006 0.092 0.547 62 K N -0.743 119.656 120.400 -0.001 0.000 2.469 62 K HA 0.101 4.422 4.320 0.002 0.000 0.201 62 K C -1.085 175.516 176.600 0.003 0.000 1.028 62 K CA -0.631 55.657 56.287 0.002 0.000 1.170 62 K CB -0.096 32.407 32.500 0.004 0.000 0.874 62 K HN -0.620 7.512 8.250 -0.001 0.117 0.507 63 Q N -4.168 115.633 119.800 0.002 0.000 2.504 63 Q HA -0.424 3.984 4.340 0.002 -0.067 0.274 63 Q C 0.035 176.038 176.000 0.004 0.000 1.103 63 Q CA 0.624 56.429 55.803 0.003 0.000 0.962 63 Q CB -2.433 26.306 28.738 0.002 0.000 1.322 63 Q HN 0.020 8.113 8.270 0.001 0.177 0.500 64 V N -1.109 118.807 119.914 0.004 0.000 2.469 64 V HA -0.396 3.727 4.120 0.006 0.000 0.251 64 V C 0.919 177.016 176.094 0.006 0.000 1.064 64 V CA 3.113 65.417 62.300 0.006 0.000 1.066 64 V CB -0.028 31.800 31.823 0.008 0.000 0.667 64 V HN -0.626 7.567 8.190 0.004 0.000 0.461 65 L N -5.449 115.777 121.223 0.005 0.000 2.478 65 L HA -0.149 4.195 4.340 0.006 0.000 0.223 65 L C 0.877 177.750 176.870 0.004 0.000 1.140 65 L CA 1.325 56.168 54.840 0.005 0.000 0.842 65 L CB -0.461 41.601 42.059 0.005 0.000 0.953 65 L HN -0.256 7.944 8.230 0.005 0.033 0.452 66 E N -4.442 115.760 120.200 0.004 0.000 2.276 66 E HA 0.063 4.414 4.350 0.003 0.000 0.193 66 E C -0.496 176.105 176.600 0.003 0.000 0.983 66 E CA 0.572 56.974 56.400 0.003 0.000 0.861 66 E CB 0.574 30.276 29.700 0.002 0.000 0.817 66 E HN -0.317 7.899 8.360 0.004 0.147 0.485 67 S N 0.456 116.158 115.700 0.003 0.000 2.549 67 S HA -0.022 4.449 4.470 0.003 0.000 0.283 67 S C 0.761 175.363 174.600 0.003 0.000 1.320 67 S CA 0.383 58.585 58.200 0.003 0.000 1.058 67 S CB 0.063 63.266 63.200 0.004 0.000 0.882 67 S HN -0.742 7.570 8.310 0.004 0.000 0.498 68 L N 3.127 124.351 121.223 0.002 0.000 2.465 68 L HA -0.060 4.281 4.340 0.002 0.000 0.224 68 L C -0.020 176.851 176.870 0.002 0.000 1.145 68 L CA 1.144 55.985 54.840 0.002 0.000 0.834 68 L CB 0.056 42.115 42.059 0.001 0.000 0.944 68 L HN 0.468 8.699 8.230 0.002 0.000 0.451 69 T N -6.405 108.150 114.554 0.002 0.000 3.514 69 T HA 0.496 4.847 4.350 0.001 0.000 0.259 69 T C -1.142 173.560 174.700 0.003 0.000 1.466 69 T CA -3.191 58.910 62.100 0.001 0.000 1.562 69 T CB 0.291 69.159 68.868 -0.001 0.000 0.924 69 T HN -0.408 7.792 8.240 0.002 0.041 0.678 70 P HA -0.158 4.267 4.420 0.008 0.000 0.218 70 P C 0.959 178.264 177.300 0.009 0.000 1.149 70 P CA 2.261 65.365 63.100 0.008 0.000 0.817 70 P CB -0.204 31.501 31.700 0.008 0.000 0.785 71 A N -2.225 120.599 122.820 0.008 0.000 1.978 71 A HA -0.301 4.027 4.320 0.013 0.000 0.220 71 A C 2.124 179.712 177.584 0.007 0.000 1.170 71 A CA 3.046 55.088 52.037 0.009 0.000 0.636 71 A CB -0.707 18.296 19.000 0.005 0.000 0.810 71 A HN 0.466 8.607 8.150 0.006 0.013 0.448 72 E N -1.207 118.995 120.200 0.002 0.000 2.072 72 E HA -0.342 4.004 4.350 -0.006 0.000 0.191 72 E C 2.474 179.078 176.600 0.007 0.000 0.985 72 E CA 2.856 59.255 56.400 -0.001 0.000 0.801 72 E CB -0.221 29.477 29.700 -0.004 0.000 0.750 72 E HN -0.539 7.812 8.360 0.002 0.010 0.452 73 V N 0.076 119.996 119.914 0.010 0.000 2.358 73 V HA -0.363 3.766 4.120 0.016 0.000 0.246 73 V C 1.810 177.917 176.094 0.022 0.000 1.047 73 V CA 4.029 66.338 62.300 0.015 0.000 1.035 73 V CB -0.373 31.456 31.823 0.011 0.000 0.658 73 V HN -0.820 7.375 8.190 0.009 0.000 0.452 74 I N -0.165 120.419 120.570 0.024 0.000 2.439 74 I HA -0.249 3.942 4.170 0.034 0.000 0.251 74 I C 2.217 178.364 176.117 0.049 0.000 1.139 74 I CA 3.732 65.053 61.300 0.035 0.000 1.438 74 I CB 0.003 38.024 38.000 0.035 0.000 1.085 74 I HN -0.176 8.047 8.210 0.020 0.000 0.427 75 L N 0.357 121.602 121.223 0.037 0.000 2.012 75 L HA -0.432 3.940 4.340 0.053 0.000 0.210 75 L C 1.293 178.203 176.870 0.067 0.000 1.073 75 L CA 3.585 58.448 54.840 0.038 0.000 0.748 75 L CB -0.565 41.492 42.059 -0.004 0.000 0.891 75 L HN -0.095 8.150 8.230 0.025 0.000 0.431 76 A N -3.296 119.558 122.820 0.057 0.000 1.902 76 A HA -0.350 4.052 4.320 0.138 0.000 0.217 76 A C 1.845 179.502 177.584 0.121 0.000 1.181 76 A CA 3.232 55.330 52.037 0.101 0.000 0.623 76 A CB -0.500 18.539 19.000 0.065 0.000 0.818 76 A HN -0.191 7.982 8.150 0.037 0.000 0.443 77 T N -2.100 112.492 114.554 0.064 0.000 2.942 77 T HA -0.242 4.111 4.350 0.005 0.000 0.265 77 T C 1.762 176.460 174.700 -0.004 0.000 1.062 77 T CA 3.322 65.432 62.100 0.016 0.000 1.139 77 T CB -0.434 68.430 68.868 -0.007 0.000 0.883 77 T HN -0.425 7.846 8.240 0.052 0.000 0.468 78 V N 2.918 122.873 119.914 0.069 0.000 2.453 78 V HA -0.347 3.808 4.120 0.058 0.000 0.247 78 V C 1.276 177.490 176.094 0.199 0.000 1.048 78 V CA 4.420 66.801 62.300 0.135 0.000 1.049 78 V CB -0.839 31.113 31.823 0.215 0.000 0.672 78 V HN -0.047 8.195 8.190 0.086 0.000 0.457 79 Y N 0.944 121.273 120.300 0.049 0.000 2.128 79 Y HA -0.496 4.098 4.550 0.074 0.000 0.284 79 Y C 1.441 177.354 175.900 0.022 0.000 1.154 79 Y CA 2.917 61.045 58.100 0.047 0.000 1.149 79 Y CB -0.163 38.314 38.460 0.028 0.000 0.976 79 Y HN 0.036 8.488 8.280 0.287 0.000 0.505 80 E N -0.618 119.580 120.200 -0.003 0.000 2.058 80 E HA -0.481 3.732 4.350 -0.229 0.000 0.194 80 E C 1.628 178.138 176.600 -0.150 0.000 0.997 80 E CA 3.270 59.589 56.400 -0.135 0.000 0.801 80 E CB -0.137 29.518 29.700 -0.076 0.000 0.746 80 E HN -0.451 7.960 8.360 0.086 0.000 0.450 81 A N -0.882 121.820 122.820 -0.196 0.000 1.930 81 A HA -0.209 3.923 4.320 -0.313 0.000 0.217 81 A C 2.502 180.033 177.584 -0.088 0.000 1.175 81 A CA 3.031 54.841 52.037 -0.380 0.000 0.627 81 A CB -0.683 17.687 19.000 -1.050 0.000 0.815 81 A HN -0.331 7.709 8.150 -0.184 0.000 0.443 82 L N -1.944 119.370 121.223 0.152 0.000 2.017 82 L HA -0.491 4.148 4.340 0.498 0.000 0.208 82 L C 1.874 178.822 176.870 0.131 0.000 1.073 82 L CA 3.039 58.066 54.840 0.310 0.000 0.745 82 L CB -0.393 41.845 42.059 0.299 0.000 0.894 82 L HN 0.059 8.368 8.230 0.131 0.000 0.432 83 K N 0.075 120.463 120.400 -0.020 0.000 2.044 83 K HA -0.456 3.834 4.320 -0.050 0.000 0.210 83 K C 2.158 178.752 176.600 -0.011 0.000 1.049 83 K CA 3.191 59.430 56.287 -0.079 0.000 0.927 83 K CB -0.082 32.263 32.500 -0.259 0.000 0.713 83 K HN -0.189 8.010 8.250 -0.085 0.000 0.443 84 E N -2.070 118.116 120.200 -0.023 0.000 2.072 84 E HA -0.309 4.132 4.350 -0.003 -0.093 0.191 84 E C 2.126 178.759 176.600 0.055 0.000 0.985 84 E CA 2.857 59.257 56.400 -0.000 0.000 0.801 84 E CB -0.304 29.376 29.700 -0.033 0.000 0.750 84 E HN -0.506 7.822 8.360 -0.052 0.000 0.452 85 A N -0.212 122.671 122.820 0.106 0.000 1.933 85 A HA -0.259 4.144 4.320 0.137 0.000 0.218 85 A C 1.823 179.490 177.584 0.137 0.000 1.175 85 A CA 3.179 55.306 52.037 0.152 0.000 0.628 85 A CB -0.336 18.814 19.000 0.251 0.000 0.814 85 A HN -0.245 7.973 8.150 0.114 0.000 0.444 86 L N -8.103 113.217 121.223 0.162 0.000 2.552 86 L HA -0.111 4.376 4.340 0.244 0.000 0.227 86 L C 0.820 177.832 176.870 0.236 0.000 1.146 86 L CA 0.583 55.565 54.840 0.237 0.000 0.858 86 L CB 0.221 42.448 42.059 0.279 0.000 0.969 86 L HN -0.530 7.766 8.230 0.154 0.026 0.451 87 G N -4.946 103.931 108.800 0.128 0.000 2.613 87 G HA2 -0.102 3.927 3.960 0.116 0.000 0.199 87 G HA3 -0.102 3.882 3.960 0.041 0.000 0.199 87 G C -1.091 173.838 174.900 0.049 0.000 0.991 87 G CA -0.312 44.838 45.100 0.083 0.000 0.756 87 G HN -0.278 7.798 8.290 0.100 0.274 0.515 88 G N -0.919 107.870 108.800 -0.018 0.000 2.677 88 G HA2 -0.159 3.821 3.960 0.033 0.000 0.321 88 G HA3 -0.159 3.805 3.960 0.008 0.000 0.321 88 G C -2.674 172.237 174.900 0.019 0.000 1.449 88 G CA -0.177 44.930 45.100 0.012 0.000 1.064 88 G HN -0.360 8.530 8.290 -0.021 -0.613 0.627 89 E N 3.187 123.399 120.200 0.021 0.000 2.319 89 E HA 0.139 4.508 4.350 0.032 0.000 0.268 89 E C -1.076 175.555 176.600 0.052 0.000 1.050 89 E CA -1.688 54.732 56.400 0.033 0.000 0.878 89 E CB 1.777 31.495 29.700 0.029 0.000 1.066 89 E HN -0.501 7.869 8.360 0.016 0.000 0.406 90 A N 0.461 123.321 122.820 0.066 0.000 2.547 90 A HA -0.185 4.168 4.320 0.054 0.000 0.233 90 A C -0.291 177.321 177.584 0.048 0.000 1.067 90 A CA 0.766 52.831 52.037 0.047 0.000 0.763 90 A CB 0.610 19.625 19.000 0.026 0.000 1.007 90 A HN 0.125 8.322 8.150 0.079 0.000 0.506 91 R N 0.514 121.049 120.500 0.057 0.000 2.604 91 R HA 0.224 4.624 4.340 0.100 0.000 0.281 91 R C -2.556 173.852 176.300 0.180 0.000 1.020 91 R CA -0.749 55.434 56.100 0.138 0.000 0.899 91 R CB 3.256 33.667 30.300 0.185 0.000 1.205 91 R HN 0.358 8.655 8.270 0.044 0.000 0.450 92 L N 3.445 124.663 121.223 -0.008 0.000 2.350 92 L HA 0.491 4.518 4.340 -0.521 0.000 0.260 92 L C -2.380 174.123 176.870 -0.612 0.000 1.015 92 L CA -3.624 51.005 54.840 -0.353 0.000 0.821 92 L CB 1.989 43.951 42.059 -0.162 0.000 1.370 92 L HN 0.109 8.341 8.230 0.004 0.000 0.416 93 P HA -0.133 3.802 4.420 -0.808 0.000 0.268 93 P C -1.348 175.851 177.300 -0.168 0.000 1.208 93 P CA -0.232 62.446 63.100 -0.702 0.000 0.777 93 P CB 0.262 31.435 31.700 -0.879 0.000 0.875 94 V N 1.711 121.576 119.914 -0.081 0.000 2.508 94 V HA -0.096 4.049 4.120 0.042 0.000 0.281 94 V C -0.109 176.056 176.094 0.119 0.000 1.041 94 V CA 0.175 62.495 62.300 0.034 0.000 1.016 94 V CB 0.468 32.307 31.823 0.027 0.000 0.984 94 V HN 0.157 8.275 8.190 -0.119 0.000 0.478 95 L N 8.889 130.187 121.223 0.125 0.000 2.312 95 L HA 0.067 4.623 4.340 0.159 -0.120 0.281 95 L C -0.757 176.153 176.870 0.067 0.000 1.070 95 L CA -0.573 54.337 54.840 0.117 0.000 0.805 95 L CB 0.891 43.007 42.059 0.096 0.000 1.174 95 L HN 0.238 8.533 8.230 0.109 0.000 0.434 96 K N 2.246 122.673 120.400 0.044 0.000 2.307 96 K HA 0.126 4.461 4.320 0.025 0.000 0.239 96 K C -0.377 176.216 176.600 -0.011 0.000 1.083 96 K CA -1.288 55.012 56.287 0.021 0.000 0.913 96 K CB 1.731 34.248 32.500 0.028 0.000 1.322 96 K HN 0.298 8.968 8.250 0.053 -0.388 0.514 97 D N -1.306 119.087 120.400 -0.012 0.000 2.178 97 D HA -0.240 4.384 4.640 -0.027 0.000 0.202 97 D C -0.089 176.183 176.300 -0.046 0.000 0.974 97 D CA 2.645 56.630 54.000 -0.025 0.000 0.841 97 D CB 0.279 41.069 40.800 -0.016 0.000 0.953 97 D HN 0.303 8.671 8.370 -0.004 0.000 0.478 98 R N -4.229 116.246 120.500 -0.043 0.000 2.502 98 R HA 0.291 4.711 4.340 -0.082 -0.129 0.300 98 R C -1.266 174.994 176.300 -0.066 0.000 0.984 98 R CA -1.164 54.900 56.100 -0.060 0.000 0.882 98 R CB 2.320 32.599 30.300 -0.036 0.000 1.180 98 R HN -0.542 7.711 8.270 -0.028 0.000 0.444 99 N N 2.915 121.531 118.700 -0.141 0.000 2.238 99 N HA 0.387 5.264 4.740 -0.038 -0.161 0.302 99 N C -2.278 173.098 175.510 -0.223 0.000 1.072 99 N CA -0.823 52.121 53.050 -0.176 0.000 0.792 99 N CB 4.634 42.878 38.487 -0.405 0.000 1.425 99 N HN 0.186 8.460 8.380 -0.176 0.000 0.478 100 L N 2.944 124.137 121.223 -0.050 0.000 2.446 100 L HA 0.528 5.002 4.340 -0.062 -0.171 0.268 100 L C -2.797 174.260 176.870 0.312 0.000 0.975 100 L CA -0.736 54.124 54.840 0.034 0.000 0.848 100 L CB 2.785 44.890 42.059 0.077 0.000 1.225 100 L HN 0.639 9.251 8.230 0.087 -0.330 0.410 101 W N 3.676 125.018 121.300 0.069 0.000 2.666 101 W HA 0.656 5.508 4.660 0.039 -0.168 0.334 101 W C -1.248 175.447 176.519 0.293 0.000 1.051 101 W CA -3.685 53.717 57.345 0.095 0.000 1.224 101 W CB 2.858 32.345 29.460 0.046 0.000 1.405 101 W HN 0.920 9.213 8.180 0.189 0.000 0.513 102 F N -0.496 119.585 119.950 0.218 0.000 2.385 102 F HA 0.398 5.135 4.527 0.119 -0.139 0.336 102 F C -0.639 175.225 175.800 0.107 0.000 1.100 102 F CA -2.784 55.294 58.000 0.130 0.000 1.116 102 F CB 1.417 40.470 39.000 0.089 0.000 1.166 102 F HN 0.439 8.990 8.300 0.418 0.000 0.511 103 L N 2.197 123.555 121.223 0.224 0.000 2.295 103 L HA 0.780 5.374 4.340 0.105 -0.191 0.285 103 L C -0.615 176.284 176.870 0.049 0.000 1.035 103 L CA -1.544 53.360 54.840 0.106 0.000 0.806 103 L CB 0.026 42.120 42.059 0.057 0.000 1.214 103 L HN 0.587 8.915 8.230 0.163 0.000 0.426 104 V N -3.488 116.415 119.914 -0.020 0.000 3.102 104 V HA 0.859 4.957 4.120 -0.036 0.000 0.312 104 V C -1.185 174.701 176.094 -0.347 0.000 1.135 104 V CA -3.776 58.457 62.300 -0.112 0.000 1.022 104 V CB 3.641 35.436 31.823 -0.046 0.000 1.056 104 V HN 0.453 8.617 8.190 -0.043 0.000 0.436 105 G N -1.343 107.189 108.800 -0.447 0.000 2.368 105 G HA2 0.012 3.781 3.960 -0.318 0.000 0.302 105 G HA3 0.012 3.446 3.960 -0.877 0.000 0.302 105 G C -2.317 172.567 174.900 -0.027 0.000 1.329 105 G CA -0.171 44.661 45.100 -0.446 0.000 0.935 105 G HN -0.207 7.931 8.290 -0.252 0.000 0.590 106 L N -1.131 120.116 121.223 0.040 0.000 2.436 106 L HA 0.032 4.551 4.340 0.157 -0.084 0.265 106 L C 0.141 177.041 176.870 0.050 0.000 1.168 106 L CA -0.358 54.544 54.840 0.102 0.000 0.815 106 L CB 1.088 43.206 42.059 0.099 0.000 1.109 106 L HN 0.305 8.533 8.230 -0.003 0.000 0.462 107 Q N 2.383 122.215 119.800 0.053 0.000 2.311 107 Q HA -0.233 4.121 4.340 0.024 0.000 0.272 107 Q C 0.817 176.833 176.000 0.027 0.000 1.012 107 Q CA 1.604 57.426 55.803 0.032 0.000 0.891 107 Q CB 0.672 29.427 28.738 0.029 0.000 1.201 107 Q HN 0.012 8.284 8.270 0.065 0.036 0.391 108 G N 4.333 113.144 108.800 0.018 0.000 2.176 108 G HA2 -0.343 3.628 3.960 0.018 0.000 0.232 108 G HA3 -0.343 3.626 3.960 0.014 0.000 0.232 108 G C 0.046 174.954 174.900 0.014 0.000 0.986 108 G CA 0.493 45.603 45.100 0.016 0.000 0.643 108 G HN 0.451 8.750 8.290 0.015 0.000 0.522 109 S N -0.220 115.485 115.700 0.009 0.000 2.527 109 S HA -0.092 4.382 4.470 0.006 0.000 0.222 109 S C 1.018 175.617 174.600 -0.001 0.000 0.985 109 S CA 1.103 59.303 58.200 0.001 0.000 0.921 109 S CB 0.397 63.586 63.200 -0.018 0.000 0.772 109 S HN -0.513 7.693 8.310 0.009 0.110 0.529 110 G N 1.412 110.213 108.800 0.001 0.000 2.132 110 G HA2 -0.397 3.566 3.960 0.004 0.000 0.234 110 G HA3 -0.397 3.565 3.960 0.004 0.000 0.234 110 G C 0.323 175.220 174.900 -0.006 0.000 0.989 110 G CA 0.294 45.395 45.100 0.001 0.000 0.676 110 G HN -0.041 8.197 8.290 0.003 0.054 0.522 111 K N -0.010 120.383 120.400 -0.013 0.000 2.009 111 K HA -0.369 3.937 4.320 -0.023 0.000 0.210 111 K C 1.026 177.621 176.600 -0.009 0.000 1.049 111 K CA 3.841 60.117 56.287 -0.018 0.000 0.929 111 K CB -0.059 32.425 32.500 -0.027 0.000 0.714 111 K HN -0.733 7.510 8.250 -0.013 0.000 0.440 112 T N -1.407 113.144 114.554 -0.006 0.000 2.737 112 T HA -0.307 4.154 4.350 -0.005 -0.114 0.265 112 T C 2.223 176.922 174.700 -0.002 0.000 1.038 112 T CA 5.324 67.422 62.100 -0.004 0.000 1.144 112 T CB -1.055 67.811 68.868 -0.003 0.000 0.866 112 T HN -0.021 8.216 8.240 -0.005 0.000 0.434 113 T N 2.234 116.787 114.554 -0.001 0.000 2.759 113 T HA -0.293 4.058 4.350 0.001 0.000 0.269 113 T C 1.432 176.130 174.700 -0.003 0.000 1.042 113 T CA 3.863 65.963 62.100 0.001 0.000 1.140 113 T CB -0.640 68.231 68.868 0.004 0.000 0.864 113 T HN 0.222 8.462 8.240 0.000 0.000 0.455 114 T N 4.526 119.076 114.554 -0.007 0.000 2.746 114 T HA -0.410 3.925 4.350 -0.025 0.000 0.267 114 T C 1.466 176.153 174.700 -0.023 0.000 1.039 114 T CA 5.484 67.572 62.100 -0.020 0.000 1.142 114 T CB -0.583 68.273 68.868 -0.019 0.000 0.866 114 T HN -0.112 8.124 8.240 -0.006 0.000 0.444 115 A N 0.383 123.201 122.820 -0.005 0.000 1.892 115 A HA -0.332 3.999 4.320 0.020 0.000 0.218 115 A C 1.578 179.166 177.584 0.006 0.000 1.188 115 A CA 3.200 55.242 52.037 0.009 0.000 0.631 115 A CB -1.009 17.999 19.000 0.012 0.000 0.822 115 A HN -0.292 7.857 8.150 -0.003 0.000 0.447 116 A N -2.304 120.517 122.820 0.003 0.000 1.898 116 A HA -0.409 3.916 4.320 0.008 0.000 0.216 116 A C 2.000 179.590 177.584 0.010 0.000 1.181 116 A CA 3.052 55.093 52.037 0.006 0.000 0.620 116 A CB -0.597 18.405 19.000 0.005 0.000 0.819 116 A HN -0.563 7.587 8.150 0.001 0.000 0.442 117 K N -1.142 119.258 120.400 0.000 0.000 2.097 117 K HA -0.256 4.074 4.320 0.017 0.000 0.205 117 K C 2.472 179.069 176.600 -0.005 0.000 1.050 117 K CA 3.192 59.480 56.287 0.001 0.000 0.938 117 K CB -0.102 32.393 32.500 -0.010 0.000 0.718 117 K HN -0.201 8.046 8.250 -0.005 0.000 0.442 118 L N -1.097 120.101 121.223 -0.042 0.000 2.017 118 L HA -0.410 3.849 4.340 -0.135 0.000 0.208 118 L C 1.830 178.778 176.870 0.129 0.000 1.073 118 L CA 3.068 57.889 54.840 -0.033 0.000 0.745 118 L CB -0.414 41.625 42.059 -0.033 0.000 0.894 118 L HN 0.146 8.346 8.230 -0.050 0.000 0.432 119 A N -1.133 121.735 122.820 0.080 0.000 1.883 119 A HA -0.404 3.972 4.320 0.092 0.000 0.217 119 A C 1.825 179.462 177.584 0.088 0.000 1.186 119 A CA 3.186 55.270 52.037 0.079 0.000 0.624 119 A CB -0.643 18.374 19.000 0.029 0.000 0.822 119 A HN -0.376 7.801 8.150 0.046 0.000 0.444 120 L N -1.175 120.088 121.223 0.067 0.000 2.083 120 L HA -0.358 4.006 4.340 0.039 0.000 0.209 120 L C 1.430 178.344 176.870 0.074 0.000 1.083 120 L CA 2.903 57.776 54.840 0.056 0.000 0.752 120 L CB -0.689 41.396 42.059 0.043 0.000 0.899 120 L HN -0.451 7.812 8.230 0.055 0.000 0.433 121 Y N 0.168 120.449 120.300 -0.033 0.000 2.114 121 Y HA -0.557 3.949 4.550 -0.073 0.000 0.284 121 Y C 1.708 177.533 175.900 -0.124 0.000 1.143 121 Y CA 4.403 62.444 58.100 -0.099 0.000 1.135 121 Y CB 0.134 38.477 38.460 -0.194 0.000 0.980 121 Y HN 0.003 8.393 8.280 0.183 0.000 0.499 122 Y N -2.961 117.385 120.300 0.077 0.000 2.293 122 Y HA -0.375 4.085 4.550 -0.150 0.000 0.291 122 Y C 2.267 178.112 175.900 -0.091 0.000 1.137 122 Y CA 3.824 61.902 58.100 -0.037 0.000 1.202 122 Y CB -0.388 38.101 38.460 0.050 0.000 0.990 122 Y HN 0.071 8.542 8.280 0.318 0.000 0.537 123 K N 1.678 122.119 120.400 0.069 0.000 2.002 123 K HA -0.242 4.579 4.320 0.016 -0.491 0.209 123 K C 3.048 179.627 176.600 -0.035 0.000 1.048 123 K CA 3.161 59.455 56.287 0.012 0.000 0.930 123 K CB -0.294 32.212 32.500 0.011 0.000 0.714 123 K HN 0.579 8.885 8.250 0.093 0.000 0.438 124 G N -0.886 107.872 108.800 -0.070 0.000 2.499 124 G HA2 -0.229 3.661 3.960 -0.117 0.000 0.221 124 G HA3 -0.229 3.692 3.960 -0.066 0.000 0.221 124 G C 0.496 175.312 174.900 -0.141 0.000 1.109 124 G CA 1.775 46.815 45.100 -0.101 0.000 0.749 124 G HN -0.207 8.031 8.290 -0.071 0.010 0.568 125 K N -0.900 119.386 120.400 -0.190 0.000 2.444 125 K HA 0.003 4.228 4.320 -0.158 0.000 0.193 125 K C 0.076 176.647 176.600 -0.048 0.000 1.024 125 K CA -0.977 55.217 56.287 -0.155 0.000 1.077 125 K CB 0.047 32.419 32.500 -0.212 0.000 0.833 125 K HN -0.876 6.996 8.250 -0.209 0.252 0.517 126 G N -1.629 107.152 108.800 -0.032 0.000 2.144 126 G HA2 -0.340 3.613 3.960 -0.012 0.000 0.218 126 G HA3 -0.340 3.624 3.960 -0.017 -0.014 0.218 126 G C -0.272 174.627 174.900 -0.001 0.000 0.988 126 G CA -0.025 45.067 45.100 -0.014 0.000 0.659 126 G HN 0.195 8.130 8.290 -0.040 0.330 0.522 127 R N -0.850 119.659 120.500 0.016 0.000 2.577 127 R HA -0.058 4.275 4.340 -0.012 0.000 0.269 127 R C 0.076 176.367 176.300 -0.016 0.000 1.084 127 R CA -1.685 54.416 56.100 0.002 0.000 1.163 127 R CB 0.786 31.096 30.300 0.017 0.000 1.100 127 R HN -0.112 8.067 8.270 0.030 0.109 0.547 128 R N -0.246 120.231 120.500 -0.039 0.000 3.050 128 R HA 0.483 4.805 4.340 -0.029 0.000 0.275 128 R C -2.517 173.746 176.300 -0.061 0.000 1.373 128 R CA -2.511 53.565 56.100 -0.041 0.000 1.612 128 R CB -0.024 30.254 30.300 -0.037 0.000 1.218 128 R HN 0.814 9.670 8.270 -0.053 -0.618 0.621 129 P HA 0.201 4.755 4.420 -0.129 -0.212 0.269 129 P C -1.514 175.748 177.300 -0.064 0.000 1.215 129 P CA -0.443 62.608 63.100 -0.083 0.000 0.780 129 P CB 0.719 32.387 31.700 -0.054 0.000 0.898 130 L N 0.478 121.655 121.223 -0.076 0.000 2.376 130 L HA 0.452 4.904 4.340 -0.040 -0.135 0.275 130 L C -1.760 175.083 176.870 -0.045 0.000 0.987 130 L CA -1.344 53.465 54.840 -0.052 0.000 0.828 130 L CB 3.472 45.501 42.059 -0.050 0.000 1.249 130 L HN 0.180 8.349 8.230 -0.103 0.000 0.409 131 L N 6.223 127.429 121.223 -0.029 0.000 2.334 131 L HA 0.496 4.984 4.340 -0.020 -0.160 0.277 131 L C -1.283 175.575 176.870 -0.020 0.000 1.075 131 L CA -0.475 54.353 54.840 -0.020 0.000 0.804 131 L CB 1.837 43.888 42.059 -0.013 0.000 1.174 131 L HN 0.679 8.894 8.230 -0.025 0.000 0.438 132 V N 2.172 122.074 119.914 -0.020 0.000 2.483 132 V HA 0.742 5.222 4.120 -0.023 -0.374 0.297 132 V C -1.732 174.340 176.094 -0.036 0.000 1.027 132 V CA -1.986 60.298 62.300 -0.026 0.000 0.855 132 V CB 2.655 34.463 31.823 -0.025 0.000 0.995 132 V HN 0.430 8.610 8.190 -0.017 0.000 0.424 133 A N 7.321 130.121 122.820 -0.032 0.000 2.506 133 A HA 0.431 4.729 4.320 -0.037 0.000 0.320 133 A C -1.451 176.106 177.584 -0.044 0.000 1.424 133 A CA -1.553 50.463 52.037 -0.035 0.000 1.044 133 A CB 0.265 19.252 19.000 -0.023 0.000 1.140 133 A HN 0.858 8.992 8.150 -0.027 0.000 0.538 134 A N 2.358 125.138 122.820 -0.067 0.000 2.308 134 A HA 0.080 4.360 4.320 -0.066 0.000 0.217 134 A C -1.147 176.398 177.584 -0.065 0.000 1.216 134 A CA -0.615 51.373 52.037 -0.082 0.000 0.864 134 A CB 0.670 19.582 19.000 -0.146 0.000 0.902 134 A HN 0.065 8.169 8.150 -0.075 0.000 0.499 135 D N -0.824 119.548 120.400 -0.046 0.000 2.349 135 D HA -0.106 4.515 4.640 -0.032 0.000 0.266 135 D C 0.363 176.649 176.300 -0.023 0.000 1.293 135 D CA 0.238 54.220 54.000 -0.030 0.000 0.926 135 D CB 0.277 41.066 40.800 -0.019 0.000 1.090 135 D HN -0.180 8.164 8.370 -0.043 0.000 0.502 136 T N 4.164 118.706 114.554 -0.021 0.000 3.194 136 T HA -0.039 4.303 4.350 -0.015 0.000 0.251 136 T C 0.607 175.301 174.700 -0.009 0.000 1.132 136 T CA 0.723 62.814 62.100 -0.014 0.000 1.028 136 T CB -0.314 68.546 68.868 -0.013 0.000 0.976 136 T HN 0.242 8.469 8.240 -0.022 0.000 0.535 137 Q N -0.981 118.815 119.800 -0.008 0.000 2.211 137 Q HA 0.245 4.582 4.340 -0.004 0.000 0.242 137 Q C -0.353 175.645 176.000 -0.004 0.000 0.825 137 Q CA -0.267 55.533 55.803 -0.005 0.000 0.951 137 Q CB 2.559 31.295 28.738 -0.003 0.000 1.130 137 Q HN -0.261 8.231 8.270 -0.009 -0.228 0.496 138 R N -0.188 120.309 120.500 -0.005 0.000 2.545 138 R HA 0.451 4.790 4.340 -0.002 0.000 0.289 138 R C -2.084 174.213 176.300 -0.005 0.000 1.327 138 R CA -2.697 53.401 56.100 -0.003 0.000 1.040 138 R CB 0.528 30.827 30.300 -0.001 0.000 1.176 138 R HN -0.725 7.667 8.270 -0.007 -0.125 0.518 139 P HA -0.203 4.213 4.420 -0.006 0.000 0.216 139 P C 0.807 178.104 177.300 -0.004 0.000 1.150 139 P CA 2.842 65.939 63.100 -0.005 0.000 0.843 139 P CB 0.240 31.937 31.700 -0.004 0.000 0.787 140 A N -3.560 119.259 122.820 -0.002 0.000 1.972 140 A HA -0.150 4.333 4.320 -0.001 -0.163 0.219 140 A C 2.306 179.889 177.584 -0.002 0.000 1.169 140 A CA 2.749 54.786 52.037 -0.001 0.000 0.635 140 A CB -0.901 18.099 19.000 0.000 0.000 0.810 140 A HN 0.280 8.409 8.150 -0.002 0.020 0.446 141 A N -1.301 121.517 122.820 -0.003 0.000 1.930 141 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 141 A C 2.155 179.735 177.584 -0.007 0.000 1.175 141 A CA 2.492 54.527 52.037 -0.004 0.000 0.627 141 A CB -0.480 18.517 19.000 -0.004 0.000 0.815 141 A HN -0.321 7.828 8.150 -0.003 0.000 0.443 142 R N -1.992 118.503 120.500 -0.009 0.000 2.066 142 R HA -0.375 3.957 4.340 -0.013 0.000 0.232 142 R C 2.744 179.039 176.300 -0.008 0.000 1.131 142 R CA 3.640 59.733 56.100 -0.011 0.000 0.955 142 R CB -0.037 30.256 30.300 -0.012 0.000 0.851 142 R HN -0.608 7.579 8.270 -0.008 0.079 0.432 143 E N 0.416 120.613 120.200 -0.006 0.000 2.085 143 E HA -0.370 3.978 4.350 -0.004 0.000 0.194 143 E C 2.256 178.854 176.600 -0.003 0.000 0.994 143 E CA 3.233 59.631 56.400 -0.004 0.000 0.801 143 E CB -0.363 29.335 29.700 -0.003 0.000 0.743 143 E HN 0.405 8.653 8.360 -0.006 0.108 0.453 144 Q N -0.381 119.417 119.800 -0.003 0.000 2.045 144 Q HA -0.326 4.014 4.340 -0.001 0.000 0.206 144 Q C 2.546 178.544 176.000 -0.002 0.000 0.991 144 Q CA 3.224 59.026 55.803 -0.002 0.000 0.851 144 Q CB -0.090 28.648 28.738 -0.001 0.000 0.911 144 Q HN -0.024 8.133 8.270 -0.003 0.111 0.418 145 L N -1.332 119.888 121.223 -0.005 0.000 2.141 145 L HA -0.189 4.148 4.340 -0.004 0.000 0.209 145 L C 1.756 178.623 176.870 -0.005 0.000 1.094 145 L CA 2.378 57.215 54.840 -0.006 0.000 0.763 145 L CB -0.444 41.609 42.059 -0.009 0.000 0.908 145 L HN -0.626 7.567 8.230 -0.006 0.034 0.437 146 R N -0.240 120.257 120.500 -0.006 0.000 2.103 146 R HA -0.436 3.900 4.340 -0.006 0.000 0.242 146 R C 2.210 178.508 176.300 -0.003 0.000 1.142 146 R CA 3.584 59.681 56.100 -0.005 0.000 0.960 146 R CB -0.342 29.955 30.300 -0.005 0.000 0.858 146 R HN 0.150 8.136 8.270 -0.006 0.281 0.439 147 L N -1.916 119.306 121.223 -0.002 0.000 1.970 147 L HA -0.305 4.035 4.340 -0.001 0.000 0.212 147 L C 2.619 179.489 176.870 0.000 0.000 1.071 147 L CA 3.205 58.044 54.840 -0.001 0.000 0.751 147 L CB -0.213 41.847 42.059 0.000 0.000 0.889 147 L HN 0.612 8.734 8.230 -0.002 0.107 0.432 148 L N -3.097 118.126 121.223 0.001 0.000 2.042 148 L HA -0.430 3.912 4.340 0.003 0.000 0.210 148 L C 2.289 179.160 176.870 0.002 0.000 1.076 148 L CA 3.003 57.844 54.840 0.002 0.000 0.749 148 L CB -0.678 41.383 42.059 0.002 0.000 0.893 148 L HN -0.316 7.914 8.230 0.000 0.000 0.432 149 G N -2.241 106.559 108.800 -0.000 0.000 2.421 149 G HA2 -0.373 3.585 3.960 -0.003 0.000 0.216 149 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.216 149 G C 1.250 176.150 174.900 -0.001 0.000 1.171 149 G CA 1.787 46.886 45.100 -0.001 0.000 0.775 149 G HN 0.174 8.262 8.290 -0.001 0.201 0.543 150 E N 1.632 121.831 120.200 -0.001 0.000 2.033 150 E HA -0.397 3.952 4.350 -0.002 0.000 0.199 150 E C 2.638 179.238 176.600 0.001 0.000 1.011 150 E CA 3.164 59.564 56.400 -0.001 0.000 0.815 150 E CB -0.176 29.523 29.700 -0.001 0.000 0.755 150 E HN 0.157 8.516 8.360 -0.002 0.000 0.451 151 K N -0.517 119.884 120.400 0.002 0.000 2.034 151 K HA -0.282 4.040 4.320 0.003 0.000 0.214 151 K C 2.283 178.886 176.600 0.004 0.000 1.051 151 K CA 2.901 59.190 56.287 0.003 0.000 0.931 151 K CB 0.168 32.671 32.500 0.005 0.000 0.715 151 K HN -0.375 7.876 8.250 0.002 0.000 0.446 152 V N -8.530 111.387 119.914 0.005 0.000 3.573 152 V HA -0.022 4.102 4.120 0.008 0.000 0.270 152 V C 0.466 176.563 176.094 0.005 0.000 1.221 152 V CA -0.371 61.933 62.300 0.007 0.000 1.163 152 V CB -0.460 31.369 31.823 0.011 0.000 0.847 152 V HN -0.384 7.809 8.190 0.005 0.000 0.468 153 G N 0.388 109.189 108.800 0.002 0.000 2.272 153 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.280 153 G HA3 -0.378 3.581 3.960 -0.002 0.000 0.280 153 G C -0.875 174.023 174.900 -0.002 0.000 1.067 153 G CA 0.906 46.006 45.100 -0.001 0.000 0.902 153 G HN -0.511 7.559 8.290 0.002 0.220 0.500 154 V N 0.153 120.066 119.914 -0.002 0.000 2.656 154 V HA 0.365 4.480 4.120 -0.007 0.000 0.307 154 V C -2.345 173.743 176.094 -0.009 0.000 1.051 154 V CA -3.527 58.769 62.300 -0.006 0.000 0.893 154 V CB 3.129 34.951 31.823 -0.003 0.000 0.999 154 V HN -0.522 7.667 8.190 -0.002 0.000 0.426 155 P HA 0.040 4.453 4.420 -0.010 0.000 0.272 155 P C -1.885 175.407 177.300 -0.013 0.000 1.230 155 P CA -0.793 62.300 63.100 -0.012 0.000 0.788 155 P CB 0.957 32.649 31.700 -0.014 0.000 0.949 156 V N -0.650 119.257 119.914 -0.012 0.000 2.525 156 V HA 0.501 4.806 4.120 -0.014 -0.193 0.299 156 V C -0.368 175.719 176.094 -0.012 0.000 1.034 156 V CA -0.822 61.471 62.300 -0.012 0.000 0.863 156 V CB 1.880 33.697 31.823 -0.010 0.000 0.999 156 V HN 0.011 8.195 8.190 -0.010 0.000 0.423 157 L N 9.183 130.398 121.223 -0.014 0.000 2.264 157 L HA 0.420 4.753 4.340 -0.012 0.000 0.289 157 L C -1.832 175.029 176.870 -0.015 0.000 1.044 157 L CA -1.350 53.482 54.840 -0.013 0.000 0.807 157 L CB 1.884 43.935 42.059 -0.013 0.000 1.192 157 L HN 0.831 9.051 8.230 -0.016 0.000 0.425 158 E N 7.260 127.452 120.200 -0.013 0.000 2.109 158 E HA 0.273 4.743 4.350 -0.017 -0.130 0.278 158 E C 0.318 176.910 176.600 -0.014 0.000 0.954 158 E CA -1.670 54.722 56.400 -0.014 0.000 0.779 158 E CB 1.033 30.726 29.700 -0.011 0.000 1.093 158 E HN 0.345 8.699 8.360 -0.011 0.000 0.401 159 V N 1.895 121.798 119.914 -0.018 0.000 3.625 159 V HA 0.014 4.314 4.120 -0.013 -0.188 0.302 159 V C -1.078 175.009 176.094 -0.012 0.000 1.112 159 V CA 0.519 62.810 62.300 -0.016 0.000 1.173 159 V CB 0.592 32.402 31.823 -0.021 0.000 1.096 159 V HN 0.003 8.180 8.190 -0.022 0.000 0.486 160 M N -1.440 118.155 119.600 -0.009 0.000 2.573 160 M HA 0.176 4.652 4.480 -0.007 0.000 0.309 160 M C -0.890 175.406 176.300 -0.007 0.000 1.202 160 M CA -0.695 54.601 55.300 -0.007 0.000 0.975 160 M CB 2.411 35.008 32.600 -0.005 0.000 1.600 160 M HN 0.667 9.544 8.290 -0.008 -0.593 0.479 161 D N 0.629 121.025 120.400 -0.005 0.000 2.434 161 D HA -0.131 4.786 4.640 -0.005 -0.280 0.252 161 D C 1.669 177.967 176.300 -0.003 0.000 1.185 161 D CA 1.641 55.638 54.000 -0.004 0.000 0.886 161 D CB -0.462 40.336 40.800 -0.003 0.000 1.148 161 D HN 0.141 8.508 8.370 -0.005 0.000 0.483 162 G N 4.472 113.270 108.800 -0.003 0.000 2.189 162 G HA2 -0.517 3.442 3.960 -0.001 0.000 0.267 162 G HA3 -0.517 3.442 3.960 -0.002 0.000 0.267 162 G C -0.571 174.328 174.900 -0.001 0.000 0.975 162 G CA 0.317 45.416 45.100 -0.002 0.000 0.644 162 G HN 0.315 8.603 8.290 -0.004 0.000 0.537 163 E N 0.442 120.641 120.200 -0.002 0.000 2.418 163 E HA -0.083 4.267 4.350 0.000 0.000 0.261 163 E C -0.986 175.615 176.600 0.002 0.000 1.070 163 E CA 0.195 56.595 56.400 -0.001 0.000 0.931 163 E CB 1.544 31.243 29.700 -0.003 0.000 0.954 163 E HN -0.563 7.669 8.360 -0.004 0.126 0.439 164 S N 2.802 118.506 115.700 0.005 0.000 2.601 164 S HA 0.196 4.672 4.470 0.010 0.000 0.271 164 S C -0.322 174.286 174.600 0.014 0.000 1.305 164 S CA -1.922 56.283 58.200 0.010 0.000 1.022 164 S CB 0.051 63.257 63.200 0.011 0.000 0.940 164 S HN 0.097 8.410 8.310 0.005 0.000 0.525 165 P HA -0.219 4.219 4.420 0.029 0.000 0.216 165 P C 1.604 178.925 177.300 0.034 0.000 1.150 165 P CA 2.670 65.789 63.100 0.032 0.000 0.837 165 P CB 0.014 31.741 31.700 0.046 0.000 0.786 166 E N -3.119 117.097 120.200 0.028 0.000 2.077 166 E HA -0.338 4.030 4.350 0.030 0.000 0.193 166 E C 2.210 178.822 176.600 0.020 0.000 0.989 166 E CA 4.268 60.683 56.400 0.025 0.000 0.800 166 E CB -1.013 28.699 29.700 0.020 0.000 0.746 166 E HN 0.442 8.817 8.360 0.025 0.000 0.452 167 S N 0.357 116.067 115.700 0.016 0.000 2.355 167 S HA -0.279 4.197 4.470 0.010 0.000 0.222 167 S C 1.803 176.410 174.600 0.011 0.000 1.031 167 S CA 3.502 61.708 58.200 0.011 0.000 0.993 167 S CB -0.535 62.669 63.200 0.008 0.000 0.859 167 S HN -0.463 7.856 8.310 0.015 0.000 0.453 168 I N 2.962 123.538 120.570 0.011 0.000 2.151 168 I HA -0.509 3.781 4.170 0.004 -0.118 0.243 168 I C 2.053 178.180 176.117 0.018 0.000 1.080 168 I CA 4.109 65.415 61.300 0.009 0.000 1.339 168 I CB -0.437 37.565 38.000 0.004 0.000 1.039 168 I HN 0.476 8.693 8.210 0.012 0.000 0.409 169 R N -0.584 119.934 120.500 0.029 0.000 2.115 169 R HA -0.428 3.939 4.340 0.045 0.000 0.239 169 R C 2.177 178.491 176.300 0.023 0.000 1.133 169 R CA 4.185 60.306 56.100 0.036 0.000 0.935 169 R CB -0.474 29.851 30.300 0.041 0.000 0.853 169 R HN 0.063 8.267 8.270 0.032 0.084 0.433 170 R N -1.361 119.149 120.500 0.017 0.000 2.096 170 R HA -0.315 4.032 4.340 0.012 0.000 0.240 170 R C 2.527 178.832 176.300 0.008 0.000 1.139 170 R CA 2.945 59.052 56.100 0.012 0.000 0.952 170 R CB -0.552 29.754 30.300 0.010 0.000 0.854 170 R HN -0.533 7.670 8.270 0.018 0.077 0.436 171 R N -2.711 117.793 120.500 0.007 0.000 2.090 171 R HA -0.235 4.106 4.340 0.002 0.000 0.228 171 R C 2.284 178.585 176.300 0.002 0.000 1.110 171 R CA 3.095 59.196 56.100 0.003 0.000 0.973 171 R CB -0.005 30.295 30.300 0.001 0.000 0.869 171 R HN 0.299 8.474 8.270 0.008 0.099 0.440 172 V N -0.100 119.817 119.914 0.006 0.000 2.270 172 V HA -0.478 3.641 4.120 -0.001 0.000 0.245 172 V C 1.582 177.677 176.094 0.003 0.000 1.043 172 V CA 4.724 67.027 62.300 0.005 0.000 1.014 172 V CB -0.364 31.467 31.823 0.014 0.000 0.645 172 V HN 0.333 8.528 8.190 0.009 0.000 0.447 173 E N -0.508 119.696 120.200 0.007 0.000 2.110 173 E HA -0.471 3.879 4.350 0.001 0.000 0.193 173 E C 1.832 178.430 176.600 -0.002 0.000 0.988 173 E CA 3.525 59.927 56.400 0.003 0.000 0.804 173 E CB -0.134 29.571 29.700 0.009 0.000 0.745 173 E HN -0.279 8.098 8.360 0.012 -0.010 0.458 174 E N 0.079 120.278 120.200 -0.001 0.000 2.106 174 E HA -0.266 4.081 4.350 -0.004 0.000 0.192 174 E C 2.034 178.630 176.600 -0.007 0.000 0.984 174 E CA 2.405 58.803 56.400 -0.003 0.000 0.806 174 E CB -0.496 29.203 29.700 -0.002 0.000 0.750 174 E HN -0.373 7.987 8.360 0.001 0.000 0.458 175 K N 0.340 120.735 120.400 -0.008 0.000 2.026 175 K HA -0.311 4.002 4.320 -0.010 0.000 0.208 175 K C 1.979 178.569 176.600 -0.016 0.000 1.048 175 K CA 3.517 59.797 56.287 -0.011 0.000 0.929 175 K CB -0.131 32.361 32.500 -0.012 0.000 0.713 175 K HN 0.216 8.463 8.250 -0.006 -0.000 0.439 176 A N -2.036 120.773 122.820 -0.019 0.000 2.024 176 A HA -0.317 3.984 4.320 -0.031 0.000 0.220 176 A C 2.011 179.581 177.584 -0.023 0.000 1.164 176 A CA 3.006 55.027 52.037 -0.027 0.000 0.643 176 A CB -0.683 18.297 19.000 -0.032 0.000 0.806 176 A HN -0.228 7.912 8.150 -0.016 0.000 0.451 177 R N -1.224 119.266 120.500 -0.017 0.000 2.057 177 R HA -0.270 4.060 4.340 -0.016 0.000 0.229 177 R C 2.832 179.124 176.300 -0.013 0.000 1.136 177 R CA 3.214 59.306 56.100 -0.014 0.000 0.952 177 R CB 0.151 30.445 30.300 -0.010 0.000 0.848 177 R HN -0.148 8.010 8.270 -0.014 0.104 0.430 178 L N -2.372 118.844 121.223 -0.012 0.000 2.141 178 L HA -0.254 4.081 4.340 -0.009 0.000 0.209 178 L C 1.994 178.856 176.870 -0.012 0.000 1.094 178 L CA 2.620 57.454 54.840 -0.010 0.000 0.763 178 L CB 0.386 42.440 42.059 -0.009 0.000 0.908 178 L HN 0.161 8.212 8.230 -0.011 0.173 0.437 179 E N -4.902 115.289 120.200 -0.015 0.000 2.501 179 E HA 0.051 4.393 4.350 -0.014 0.000 0.200 179 E C -1.040 175.547 176.600 -0.020 0.000 1.016 179 E CA -0.995 55.395 56.400 -0.017 0.000 0.921 179 E CB 0.570 30.260 29.700 -0.017 0.000 1.034 179 E HN 0.120 8.470 8.360 -0.016 0.000 0.468 180 A N -1.010 121.797 122.820 -0.021 0.000 2.687 180 A HA -0.434 3.943 4.320 -0.026 -0.073 0.299 180 A C -1.199 176.365 177.584 -0.034 0.000 1.497 180 A CA 0.738 52.760 52.037 -0.025 0.000 0.751 180 A CB -1.528 17.459 19.000 -0.021 0.000 1.048 180 A HN -0.280 7.690 8.150 -0.020 0.168 0.464 181 R N -2.102 118.374 120.500 -0.039 0.000 2.254 181 R HA 0.200 4.754 4.340 -0.054 -0.247 0.318 181 R C 0.320 176.576 176.300 -0.073 0.000 1.031 181 R CA -1.242 54.825 56.100 -0.054 0.000 0.905 181 R CB -0.237 30.032 30.300 -0.052 0.000 1.050 181 R HN -0.481 7.774 8.270 -0.036 -0.007 0.456 182 D N -0.653 119.690 120.400 -0.095 0.000 2.474 182 D HA 0.101 4.681 4.640 -0.099 0.000 0.213 182 D C -0.643 175.538 176.300 -0.198 0.000 1.120 182 D CA -0.487 53.443 54.000 -0.116 0.000 0.836 182 D CB 1.904 42.649 40.800 -0.091 0.000 1.019 182 D HN 0.780 9.092 8.370 -0.097 0.000 0.507 183 L N 1.362 122.438 121.223 -0.246 0.000 2.377 183 L HA 0.416 4.563 4.340 -0.518 -0.118 0.270 183 L C -2.653 174.022 176.870 -0.326 0.000 0.991 183 L CA -0.383 54.206 54.840 -0.419 0.000 0.851 183 L CB 2.112 43.856 42.059 -0.524 0.000 1.218 183 L HN -0.849 7.263 8.230 -0.197 0.000 0.420 184 I N 6.813 127.203 120.570 -0.299 0.000 2.336 184 I HA 0.346 4.610 4.170 -0.127 -0.170 0.292 184 I C -1.591 174.449 176.117 -0.128 0.000 0.991 184 I CA -0.715 60.490 61.300 -0.158 0.000 1.227 184 I CB 1.442 39.397 38.000 -0.076 0.000 1.366 184 I HN 0.773 8.781 8.210 -0.337 0.000 0.466 185 L N 7.733 128.920 121.223 -0.060 0.000 2.316 185 L HA 0.504 5.037 4.340 0.092 -0.138 0.280 185 L C -1.375 175.523 176.870 0.046 0.000 1.006 185 L CA -1.139 53.716 54.840 0.026 0.000 0.836 185 L CB 1.619 43.682 42.059 0.007 0.000 1.221 185 L HN 0.696 8.891 8.230 -0.058 0.000 0.418 186 V N 5.267 125.238 119.914 0.095 0.000 2.348 186 V HA 0.145 4.383 4.120 -0.029 -0.135 0.270 186 V C -1.533 174.526 176.094 -0.058 0.000 1.037 186 V CA -1.064 61.231 62.300 -0.008 0.000 0.872 186 V CB 0.487 32.261 31.823 -0.082 0.000 1.002 186 V HN 0.768 9.069 8.190 0.185 0.000 0.464 187 D N 9.405 129.769 120.400 -0.059 0.000 2.374 187 D HA 0.182 4.801 4.640 -0.034 0.000 0.240 187 D C -0.222 176.019 176.300 -0.098 0.000 1.229 187 D CA -1.346 52.622 54.000 -0.053 0.000 0.895 187 D CB 1.094 41.876 40.800 -0.029 0.000 1.046 187 D HN 0.479 8.818 8.370 -0.050 0.000 0.498 188 T N 2.450 116.929 114.554 -0.124 0.000 2.816 188 T HA 0.081 4.322 4.350 -0.182 0.000 0.282 188 T C -0.962 173.708 174.700 -0.051 0.000 0.993 188 T CA -1.444 60.571 62.100 -0.142 0.000 0.994 188 T CB 1.636 70.395 68.868 -0.181 0.000 1.025 188 T HN -0.389 7.790 8.240 -0.103 0.000 0.529 189 A N -0.682 122.119 122.820 -0.032 0.000 2.498 189 A HA -0.117 4.199 4.320 -0.006 0.000 0.239 189 A C -0.486 177.123 177.584 0.043 0.000 1.068 189 A CA 1.111 53.149 52.037 0.002 0.000 0.766 189 A CB 0.542 19.544 19.000 0.003 0.000 1.003 189 A HN 0.113 8.235 8.150 -0.047 0.000 0.497 190 G N -1.131 107.694 108.800 0.041 0.000 2.571 190 G HA2 0.353 4.348 3.960 0.059 0.000 0.304 190 G HA3 0.353 4.376 3.960 0.106 0.000 0.304 190 G C -2.457 172.475 174.900 0.053 0.000 1.314 190 G CA -1.097 44.044 45.100 0.067 0.000 0.975 190 G HN -0.227 8.078 8.290 0.025 0.000 0.485 191 R N -1.761 118.778 120.500 0.066 0.000 2.922 191 R HA 0.398 4.759 4.340 0.034 0.000 0.256 191 R C 1.075 177.405 176.300 0.050 0.000 1.138 191 R CA -2.693 53.434 56.100 0.045 0.000 0.995 191 R CB 3.156 33.477 30.300 0.034 0.000 1.226 191 R HN 0.044 8.370 8.270 0.092 0.000 0.481 192 L N -0.935 120.309 121.223 0.035 0.000 2.395 192 L HA -0.051 4.311 4.340 0.036 0.000 0.218 192 L C -0.319 176.572 176.870 0.036 0.000 1.130 192 L CA 1.756 56.616 54.840 0.033 0.000 0.826 192 L CB 0.298 42.370 42.059 0.022 0.000 0.941 192 L HN 0.506 8.753 8.230 0.028 0.000 0.451 193 Q N -5.557 114.263 119.800 0.033 0.000 2.511 193 Q HA 0.027 4.388 4.340 0.035 0.000 0.289 193 Q C -2.026 173.983 176.000 0.015 0.000 1.021 193 Q CA -2.235 53.583 55.803 0.026 0.000 0.785 193 Q CB 2.108 30.854 28.738 0.012 0.000 1.472 193 Q HN -0.740 7.508 8.270 0.031 0.041 0.411 194 I N 0.399 120.965 120.570 -0.006 0.000 2.648 194 I HA -0.168 3.949 4.170 -0.088 0.000 0.284 194 I C -0.777 175.304 176.117 -0.061 0.000 1.153 194 I CA 0.051 61.312 61.300 -0.066 0.000 1.426 194 I CB -0.494 37.443 38.000 -0.104 0.000 1.381 194 I HN 0.181 8.391 8.210 0.000 0.000 0.571 195 D N 6.331 126.684 120.400 -0.078 0.000 2.788 195 D HA 0.129 4.743 4.640 -0.044 0.000 0.247 195 D C 0.062 176.321 176.300 -0.067 0.000 1.236 195 D CA -1.313 52.655 54.000 -0.054 0.000 0.898 195 D CB 3.046 43.827 40.800 -0.031 0.000 1.401 195 D HN -0.209 8.097 8.370 -0.107 0.000 0.549 196 E N 7.603 127.771 120.200 -0.055 0.000 2.038 196 E HA -0.201 4.108 4.350 -0.069 0.000 0.195 196 E C -1.051 175.524 176.600 -0.041 0.000 1.000 196 E CA 4.494 60.863 56.400 -0.053 0.000 0.803 196 E CB -1.617 28.060 29.700 -0.039 0.000 0.750 196 E HN 0.570 8.903 8.360 -0.045 0.000 0.448 197 P HA -0.266 4.145 4.420 -0.016 0.000 0.215 197 P C 1.433 178.722 177.300 -0.019 0.000 1.157 197 P CA 3.187 66.276 63.100 -0.019 0.000 0.874 197 P CB -0.302 31.390 31.700 -0.014 0.000 0.790 198 L N -2.628 118.580 121.223 -0.025 0.000 2.083 198 L HA -0.239 4.098 4.340 -0.006 0.000 0.209 198 L C 2.408 179.263 176.870 -0.024 0.000 1.083 198 L CA 3.380 58.210 54.840 -0.018 0.000 0.752 198 L CB 0.022 42.072 42.059 -0.015 0.000 0.899 198 L HN -0.110 8.564 8.230 -0.029 -0.462 0.433 199 M N -2.199 117.364 119.600 -0.062 0.000 2.254 199 M HA -0.304 4.128 4.480 -0.080 0.000 0.265 199 M C 2.302 178.587 176.300 -0.026 0.000 1.066 199 M CA 2.364 57.615 55.300 -0.080 0.000 1.123 199 M CB -1.044 31.463 32.600 -0.154 0.000 1.388 199 M HN 0.401 8.421 8.290 -0.073 0.226 0.425 200 G N -0.852 107.936 108.800 -0.019 0.000 2.408 200 G HA2 -0.345 3.614 3.960 -0.003 0.000 0.217 200 G HA3 -0.345 3.618 3.960 0.004 0.000 0.217 200 G C 0.788 175.699 174.900 0.018 0.000 1.150 200 G CA 1.874 46.974 45.100 0.001 0.000 0.776 200 G HN 0.180 8.454 8.290 -0.027 0.000 0.542 201 E N 2.560 122.769 120.200 0.015 0.000 2.085 201 E HA -0.312 4.053 4.350 0.025 0.000 0.194 201 E C 1.887 178.517 176.600 0.049 0.000 0.994 201 E CA 2.759 59.174 56.400 0.025 0.000 0.801 201 E CB 0.070 29.778 29.700 0.013 0.000 0.743 201 E HN -0.374 7.990 8.360 0.006 0.000 0.453 202 L N -0.579 120.681 121.223 0.061 0.000 2.109 202 L HA -0.236 4.168 4.340 0.108 0.000 0.207 202 L C 1.437 178.413 176.870 0.177 0.000 1.086 202 L CA 2.859 57.771 54.840 0.120 0.000 0.760 202 L CB -0.546 41.598 42.059 0.142 0.000 0.910 202 L HN -0.045 8.109 8.230 0.046 0.103 0.437 203 A N -1.003 121.886 122.820 0.114 0.000 1.908 203 A HA -0.371 4.019 4.320 0.118 0.000 0.218 203 A C 1.679 179.323 177.584 0.100 0.000 1.181 203 A CA 3.385 55.481 52.037 0.100 0.000 0.627 203 A CB -0.855 18.177 19.000 0.053 0.000 0.818 203 A HN 0.121 8.319 8.150 0.080 0.000 0.445 204 R N -0.986 119.564 120.500 0.084 0.000 2.075 204 R HA -0.223 4.308 4.340 0.064 -0.153 0.232 204 R C 2.066 178.433 176.300 0.112 0.000 1.126 204 R CA 1.704 57.849 56.100 0.076 0.000 0.963 204 R CB -0.563 29.768 30.300 0.052 0.000 0.858 204 R HN -0.494 7.819 8.270 0.072 0.000 0.435 205 L N -0.571 120.741 121.223 0.148 0.000 2.042 205 L HA -0.369 4.066 4.340 0.158 0.000 0.210 205 L C 1.265 178.356 176.870 0.368 0.000 1.076 205 L CA 3.522 58.490 54.840 0.213 0.000 0.749 205 L CB -0.298 41.845 42.059 0.141 0.000 0.893 205 L HN -0.009 8.301 8.230 0.133 0.000 0.432 206 K N -1.118 119.505 120.400 0.372 0.000 2.057 206 K HA -0.452 3.867 4.320 -0.002 0.000 0.207 206 K C 2.157 178.783 176.600 0.043 0.000 1.049 206 K CA 3.740 60.107 56.287 0.134 0.000 0.931 206 K CB -0.337 32.191 32.500 0.048 0.000 0.714 206 K HN -0.153 8.310 8.250 0.354 0.000 0.440 207 E N -1.757 118.482 120.200 0.066 0.000 2.085 207 E HA -0.321 4.039 4.350 0.017 0.000 0.194 207 E C 2.195 178.822 176.600 0.044 0.000 0.994 207 E CA 2.678 59.100 56.400 0.038 0.000 0.801 207 E CB -0.001 29.723 29.700 0.040 0.000 0.743 207 E HN -0.599 7.813 8.360 0.086 0.000 0.453 208 V N -2.047 117.912 119.914 0.074 0.000 2.346 208 V HA -0.273 3.878 4.120 0.050 0.000 0.244 208 V C 1.626 177.767 176.094 0.078 0.000 1.037 208 V CA 3.331 65.672 62.300 0.069 0.000 1.029 208 V CB 0.330 32.197 31.823 0.073 0.000 0.663 208 V HN -0.566 7.682 8.190 0.097 0.000 0.454 209 L N -4.887 116.411 121.223 0.125 0.000 2.270 209 L HA -0.163 4.241 4.340 0.106 0.000 0.210 209 L C 0.577 177.477 176.870 0.050 0.000 1.104 209 L CA 0.663 55.581 54.840 0.131 0.000 0.804 209 L CB 0.289 42.521 42.059 0.289 0.000 0.937 209 L HN -0.231 8.103 8.230 0.172 0.000 0.450 210 G N -1.647 107.145 108.800 -0.014 0.000 2.350 210 G HA2 -0.224 3.719 3.960 -0.028 0.000 0.298 210 G HA3 -0.224 3.748 3.960 -0.083 -0.062 0.298 210 G C -2.103 172.737 174.900 -0.099 0.000 1.037 210 G CA -0.446 44.617 45.100 -0.062 0.000 1.074 210 G HN -0.396 7.888 8.290 -0.009 0.000 0.511 211 P HA -0.155 4.337 4.420 -0.056 -0.105 0.266 211 P C -0.642 176.600 177.300 -0.097 0.000 1.195 211 P CA -0.313 62.661 63.100 -0.209 0.000 0.768 211 P CB 0.545 31.859 31.700 -0.644 0.000 0.838 212 D N 1.432 121.864 120.400 0.053 0.000 2.224 212 D HA -0.078 4.573 4.640 0.019 0.000 0.205 212 D C -0.162 176.114 176.300 -0.041 0.000 0.965 212 D CA 1.980 56.018 54.000 0.064 0.000 0.852 212 D CB 0.680 41.605 40.800 0.208 0.000 0.947 212 D HN 0.090 8.547 8.370 0.144 0.000 0.494 213 E N -2.725 117.420 120.200 -0.093 0.000 2.340 213 E HA 0.375 4.596 4.350 -0.215 0.000 0.273 213 E C -2.233 174.283 176.600 -0.139 0.000 0.891 213 E CA -1.527 54.709 56.400 -0.273 0.000 0.757 213 E CB 4.502 33.699 29.700 -0.838 0.000 1.231 213 E HN -0.720 7.666 8.360 0.044 0.000 0.439 214 V N 2.817 122.672 119.914 -0.098 0.000 2.357 214 V HA 0.208 4.507 4.120 0.078 -0.133 0.281 214 V C -1.376 174.723 176.094 0.008 0.000 1.015 214 V CA -0.641 61.659 62.300 -0.000 0.000 0.827 214 V CB 0.803 32.622 31.823 -0.007 0.000 1.018 214 V HN 0.525 8.654 8.190 -0.100 0.000 0.432 215 L N 7.285 128.533 121.223 0.041 0.000 2.257 215 L HA 0.489 5.036 4.340 0.010 -0.200 0.290 215 L C -1.463 175.397 176.870 -0.018 0.000 1.044 215 L CA -1.279 53.576 54.840 0.025 0.000 0.810 215 L CB 0.795 42.894 42.059 0.067 0.000 1.193 215 L HN 0.782 9.068 8.230 0.094 0.000 0.425 216 L N 7.121 128.296 121.223 -0.079 0.000 2.278 216 L HA 0.447 4.814 4.340 -0.256 -0.180 0.287 216 L C -1.729 175.055 176.870 -0.144 0.000 1.072 216 L CA -1.339 53.389 54.840 -0.186 0.000 0.819 216 L CB 1.431 43.356 42.059 -0.224 0.000 1.176 216 L HN 0.226 8.413 8.230 -0.071 0.000 0.435 217 V N 8.771 128.593 119.914 -0.154 0.000 2.383 217 V HA 0.362 4.630 4.120 -0.060 -0.184 0.275 217 V C -1.103 174.930 176.094 -0.103 0.000 1.036 217 V CA -0.272 61.974 62.300 -0.091 0.000 0.889 217 V CB 0.372 32.158 31.823 -0.061 0.000 0.985 217 V HN 0.500 8.571 8.190 -0.197 0.000 0.459 218 L N 6.383 127.567 121.223 -0.065 0.000 2.386 218 L HA 0.273 4.584 4.340 -0.049 0.000 0.271 218 L C -2.002 174.860 176.870 -0.014 0.000 0.993 218 L CA -1.512 53.300 54.840 -0.046 0.000 0.819 218 L CB 3.803 45.832 42.059 -0.050 0.000 1.294 218 L HN 0.462 8.662 8.230 -0.051 0.000 0.414 219 D N 1.931 122.330 120.400 -0.000 0.000 2.338 219 D HA 0.158 4.812 4.640 0.023 0.000 0.255 219 D C 1.186 177.501 176.300 0.026 0.000 1.237 219 D CA -0.436 53.574 54.000 0.018 0.000 0.883 219 D CB 0.439 41.250 40.800 0.019 0.000 1.087 219 D HN 0.226 8.595 8.370 -0.002 0.000 0.485 220 A N 8.411 131.259 122.820 0.046 0.000 2.024 220 A HA -0.313 4.032 4.320 0.043 0.000 0.220 220 A C 1.659 179.277 177.584 0.056 0.000 1.164 220 A CA 2.891 54.966 52.037 0.064 0.000 0.643 220 A CB -0.005 19.074 19.000 0.132 0.000 0.806 220 A HN 0.636 8.818 8.150 0.054 0.000 0.451 221 M N -4.378 115.256 119.600 0.056 0.000 2.539 221 M HA -0.268 4.244 4.480 0.053 0.000 0.261 221 M C 0.851 177.164 176.300 0.022 0.000 1.069 221 M CA 2.760 58.087 55.300 0.045 0.000 1.081 221 M CB -0.198 32.429 32.600 0.045 0.000 1.412 221 M HN -0.265 8.297 8.290 0.057 -0.237 0.482 222 T N -5.684 108.880 114.554 0.016 0.000 3.148 222 T HA -0.070 4.284 4.350 0.008 0.000 0.253 222 T C 0.692 175.390 174.700 -0.004 0.000 1.134 222 T CA 0.213 62.318 62.100 0.008 0.000 1.051 222 T CB 0.294 69.169 68.868 0.012 0.000 0.959 222 T HN -0.632 7.574 8.240 0.020 0.046 0.525 223 G N 1.467 110.259 108.800 -0.013 0.000 2.574 223 G HA2 -0.550 3.536 3.960 -0.037 0.000 0.286 223 G HA3 -0.550 3.380 3.960 -0.051 0.000 0.286 223 G C 0.323 175.204 174.900 -0.032 0.000 1.212 223 G CA 0.604 45.683 45.100 -0.035 0.000 0.979 223 G HN -0.507 7.740 8.290 -0.008 0.038 0.557 224 Q N 2.035 121.814 119.800 -0.035 0.000 2.291 224 Q HA -0.371 3.951 4.340 -0.031 0.000 0.206 224 Q C 1.957 177.950 176.000 -0.012 0.000 0.976 224 Q CA 2.588 58.375 55.803 -0.027 0.000 0.875 224 Q CB -0.085 28.634 28.738 -0.031 0.000 0.927 224 Q HN -0.103 8.469 8.270 -0.039 -0.325 0.450 225 E N 0.541 120.737 120.200 -0.006 0.000 2.118 225 E HA -0.303 4.052 4.350 0.008 0.000 0.195 225 E C 1.174 177.782 176.600 0.014 0.000 0.992 225 E CA 2.591 58.995 56.400 0.007 0.000 0.804 225 E CB -0.540 29.166 29.700 0.010 0.000 0.741 225 E HN -0.601 7.736 8.360 -0.008 0.018 0.458 226 A N -1.257 121.567 122.820 0.006 0.000 1.948 226 A HA -0.298 4.032 4.320 0.015 0.000 0.220 226 A C 2.093 179.682 177.584 0.009 0.000 1.177 226 A CA 3.158 55.199 52.037 0.006 0.000 0.636 226 A CB -0.686 18.309 19.000 -0.009 0.000 0.815 226 A HN -0.414 7.727 8.150 -0.001 0.008 0.449 227 L N -4.190 117.034 121.223 0.001 0.000 2.093 227 L HA -0.446 3.896 4.340 0.003 0.000 0.208 227 L C 2.194 179.078 176.870 0.023 0.000 1.085 227 L CA 2.772 57.615 54.840 0.006 0.000 0.755 227 L CB -0.673 41.385 42.059 -0.002 0.000 0.904 227 L HN -0.357 7.777 8.230 -0.005 0.093 0.435 228 S N 0.019 115.734 115.700 0.025 0.000 2.353 228 S HA -0.370 4.116 4.470 0.026 0.000 0.222 228 S C 2.032 176.668 174.600 0.061 0.000 1.035 228 S CA 3.492 61.711 58.200 0.033 0.000 1.025 228 S CB -0.620 62.596 63.200 0.025 0.000 0.902 228 S HN -0.148 7.944 8.310 0.019 0.229 0.440 229 V N 1.632 121.597 119.914 0.084 0.000 2.392 229 V HA -0.488 3.741 4.120 0.183 0.000 0.249 229 V C 1.180 177.412 176.094 0.230 0.000 1.059 229 V CA 3.839 66.242 62.300 0.171 0.000 1.051 229 V CB -0.865 31.054 31.823 0.161 0.000 0.658 229 V HN -0.011 8.219 8.190 0.067 0.000 0.455 230 A N -2.351 120.543 122.820 0.122 0.000 1.898 230 A HA -0.218 4.181 4.320 0.132 0.000 0.216 230 A C 1.698 179.346 177.584 0.107 0.000 1.181 230 A CA 3.218 55.317 52.037 0.103 0.000 0.620 230 A CB -0.683 18.331 19.000 0.023 0.000 0.819 230 A HN 0.122 8.141 8.150 0.077 0.178 0.442 231 R N -0.780 119.762 120.500 0.070 0.000 2.091 231 R HA -0.360 4.004 4.340 0.041 0.000 0.238 231 R C 1.675 178.007 176.300 0.054 0.000 1.136 231 R CA 3.286 59.415 56.100 0.049 0.000 0.959 231 R CB -0.233 30.084 30.300 0.029 0.000 0.856 231 R HN -0.261 8.044 8.270 0.059 0.000 0.437 232 A N -0.816 122.040 122.820 0.060 0.000 1.897 232 A HA -0.120 4.187 4.320 -0.022 0.000 0.215 232 A C 1.879 179.440 177.584 -0.038 0.000 1.181 232 A CA 2.679 54.713 52.037 -0.005 0.000 0.620 232 A CB -0.480 18.494 19.000 -0.042 0.000 0.821 232 A HN -0.253 7.917 8.150 0.079 0.028 0.443 233 F N -1.807 118.147 119.950 0.006 0.000 2.186 233 F HA -0.280 4.259 4.527 0.019 0.000 0.299 233 F C 2.230 178.036 175.800 0.010 0.000 1.090 233 F CA 3.979 61.988 58.000 0.014 0.000 1.307 233 F CB -0.041 38.970 39.000 0.018 0.000 1.019 233 F HN -0.164 8.343 8.300 0.345 0.000 0.489 234 D N -1.353 119.153 120.400 0.176 0.000 2.144 234 D HA -0.278 4.420 4.640 0.098 0.000 0.200 234 D C 2.420 178.751 176.300 0.051 0.000 0.978 234 D CA 3.291 57.346 54.000 0.092 0.000 0.833 234 D CB -0.001 40.831 40.800 0.054 0.000 0.961 234 D HN -0.120 8.356 8.370 0.175 0.000 0.470 235 E N -0.837 119.383 120.200 0.033 0.000 2.031 235 E HA -0.265 4.089 4.350 0.007 0.000 0.193 235 E C 1.915 178.515 176.600 0.001 0.000 0.994 235 E CA 2.638 59.043 56.400 0.007 0.000 0.800 235 E CB 0.191 29.887 29.700 -0.007 0.000 0.752 235 E HN -0.215 8.067 8.360 0.037 0.100 0.447 236 K N -5.133 115.259 120.400 -0.013 0.000 2.262 236 K HA -0.095 4.211 4.320 -0.024 0.000 0.200 236 K C 1.114 177.718 176.600 0.007 0.000 1.049 236 K CA 2.474 58.744 56.287 -0.028 0.000 0.979 236 K CB 1.253 33.699 32.500 -0.091 0.000 0.773 236 K HN -0.400 7.840 8.250 -0.017 0.000 0.474 237 V N -5.892 114.050 119.914 0.047 0.000 3.058 237 V HA 0.091 4.256 4.120 0.075 0.000 0.233 237 V C 0.031 176.169 176.094 0.074 0.000 1.255 237 V CA -0.076 62.279 62.300 0.090 0.000 1.267 237 V CB 2.896 34.828 31.823 0.181 0.000 1.049 237 V HN -0.405 7.821 8.190 0.059 0.000 0.486 238 G N 0.703 109.550 108.800 0.079 0.000 3.421 238 G HA2 -0.266 3.708 3.960 0.023 0.000 0.686 238 G HA3 -0.266 3.996 3.960 0.038 -0.280 0.686 238 G C -1.325 173.601 174.900 0.043 0.000 1.056 238 G CA -0.192 44.934 45.100 0.044 0.000 0.891 238 G HN -0.554 7.797 8.290 0.101 0.000 0.514 239 V N 6.183 126.115 119.914 0.031 0.000 2.667 239 V HA 0.247 4.379 4.120 0.020 0.000 0.308 239 V C -0.207 175.872 176.094 -0.025 0.000 1.048 239 V CA -1.964 60.344 62.300 0.012 0.000 0.928 239 V CB 3.249 35.082 31.823 0.016 0.000 1.004 239 V HN 0.226 8.749 8.190 0.024 -0.318 0.444 240 T N 1.577 116.108 114.554 -0.038 0.000 2.969 240 T HA 0.188 4.510 4.350 -0.046 0.000 0.250 240 T C 0.016 174.673 174.700 -0.071 0.000 1.021 240 T CA -0.154 61.921 62.100 -0.042 0.000 1.003 240 T CB 2.742 71.589 68.868 -0.035 0.000 1.040 240 T HN 0.759 8.978 8.240 -0.034 0.000 0.492 241 G N 0.189 108.935 108.800 -0.090 0.000 2.576 241 G HA2 0.385 4.183 3.960 -0.270 0.000 0.290 241 G HA3 0.385 4.222 3.960 -0.374 -0.101 0.290 241 G C -3.356 171.454 174.900 -0.151 0.000 1.442 241 G CA 0.421 45.378 45.100 -0.237 0.000 0.792 241 G HN -0.852 7.401 8.290 -0.062 0.000 0.491 242 L N -1.912 119.178 121.223 -0.222 0.000 2.333 242 L HA 0.832 5.281 4.340 -0.112 -0.176 0.269 242 L C -1.395 175.429 176.870 -0.077 0.000 1.010 242 L CA -1.552 53.198 54.840 -0.151 0.000 0.818 242 L CB 3.763 45.699 42.059 -0.204 0.000 1.306 242 L HN 0.324 8.341 8.230 -0.355 0.000 0.430 243 V N 0.691 120.587 119.914 -0.030 0.000 2.483 243 V HA 0.526 4.874 4.120 0.060 -0.193 0.297 243 V C -1.437 174.647 176.094 -0.016 0.000 1.027 243 V CA -1.445 60.874 62.300 0.032 0.000 0.855 243 V CB 2.220 34.095 31.823 0.086 0.000 0.995 243 V HN 0.448 8.610 8.190 -0.046 0.000 0.424 244 L N 8.408 129.622 121.223 -0.015 0.000 2.262 244 L HA 0.741 5.267 4.340 -0.008 -0.191 0.288 244 L C 0.049 176.954 176.870 0.058 0.000 1.035 244 L CA -1.506 53.337 54.840 0.006 0.000 0.820 244 L CB 0.742 42.799 42.059 -0.003 0.000 1.204 244 L HN 0.191 8.414 8.230 -0.012 0.000 0.424 245 T N 1.627 116.208 114.554 0.044 0.000 2.881 245 T HA 0.309 4.694 4.350 0.059 0.000 0.278 245 T C 0.642 175.379 174.700 0.061 0.000 0.982 245 T CA -1.712 60.418 62.100 0.050 0.000 0.989 245 T CB 1.912 70.798 68.868 0.030 0.000 1.058 245 T HN 0.626 8.883 8.240 0.028 0.000 0.529 246 K N -1.962 118.471 120.400 0.055 0.000 3.035 246 K HA -0.408 4.084 4.320 0.049 -0.143 0.262 246 K C 1.483 178.131 176.600 0.080 0.000 1.024 246 K CA 1.465 57.786 56.287 0.057 0.000 0.748 246 K CB -2.292 30.237 32.500 0.048 0.000 1.247 246 K HN 0.343 8.623 8.250 0.049 0.000 0.482 247 L N -2.699 118.577 121.223 0.088 0.000 2.362 247 L HA -0.231 4.363 4.340 0.174 -0.149 0.219 247 L C 1.621 178.517 176.870 0.044 0.000 1.134 247 L CA 2.288 57.190 54.840 0.103 0.000 0.807 247 L CB -0.280 41.829 42.059 0.083 0.000 0.927 247 L HN 0.030 8.288 8.230 0.081 0.021 0.447 248 D N -3.014 117.405 120.400 0.032 0.000 2.347 248 D HA -0.160 4.476 4.640 -0.007 0.000 0.213 248 D C 0.490 176.813 176.300 0.038 0.000 0.985 248 D CA 1.158 55.167 54.000 0.016 0.000 0.879 248 D CB -0.771 40.037 40.800 0.013 0.000 0.919 248 D HN -0.450 7.876 8.370 0.038 0.067 0.526 249 G N -2.775 106.060 108.800 0.058 0.000 3.088 249 G HA2 -0.053 3.940 3.960 0.054 0.000 0.217 249 G HA3 -0.053 3.938 3.960 0.051 0.000 0.217 249 G C -1.241 173.713 174.900 0.090 0.000 1.159 249 G CA -0.762 44.374 45.100 0.060 0.000 0.760 249 G HN -0.523 7.551 8.290 0.063 0.254 0.550 250 D N 2.098 122.580 120.400 0.136 0.000 2.367 250 D HA -0.095 4.659 4.640 0.189 0.000 0.255 250 D C -0.497 175.947 176.300 0.240 0.000 1.300 250 D CA 0.211 54.353 54.000 0.238 0.000 0.959 250 D CB -0.517 40.557 40.800 0.456 0.000 1.064 250 D HN -0.797 7.306 8.370 0.122 0.339 0.509 251 A N 7.911 130.812 122.820 0.136 0.000 1.970 251 A HA -0.077 4.306 4.320 0.106 0.000 0.216 251 A C 0.865 178.495 177.584 0.076 0.000 1.170 251 A CA 2.349 54.444 52.037 0.096 0.000 0.645 251 A CB 0.470 19.499 19.000 0.049 0.000 0.816 251 A HN 0.230 8.442 8.150 0.103 0.000 0.447 252 R N -5.381 115.130 120.500 0.017 0.000 2.086 252 R HA 0.055 4.347 4.340 -0.079 0.000 0.194 252 R C 0.581 176.657 176.300 -0.374 0.000 1.312 252 R CA 0.863 56.898 56.100 -0.109 0.000 1.145 252 R CB 2.133 32.369 30.300 -0.107 0.000 1.050 252 R HN 0.238 8.845 8.270 0.030 -0.319 0.479 253 G N -4.378 104.079 108.800 -0.572 0.000 2.211 253 G HA2 -0.196 2.634 3.960 -1.883 0.000 0.201 253 G HA3 -0.196 2.839 3.960 -1.776 -0.141 0.201 253 G C 0.714 175.237 174.900 -0.628 0.000 0.997 253 G CA -0.057 44.245 45.100 -1.331 0.000 0.652 253 G HN -0.162 8.300 8.290 -0.338 -0.375 0.500 254 G N 1.340 109.934 108.800 -0.343 0.000 2.513 254 G HA2 -0.497 3.489 3.960 -0.169 0.000 0.219 254 G HA3 -0.497 3.328 3.960 -0.225 0.000 0.219 254 G C 0.216 175.022 174.900 -0.157 0.000 1.160 254 G CA 2.466 47.437 45.100 -0.217 0.000 0.767 254 G HN -0.320 7.793 8.290 -0.295 0.000 0.571 255 A N 0.026 122.774 122.820 -0.120 0.000 1.877 255 A HA -0.353 3.929 4.320 -0.063 0.000 0.216 255 A C 1.460 179.010 177.584 -0.057 0.000 1.186 255 A CA 2.889 54.885 52.037 -0.069 0.000 0.620 255 A CB -0.731 18.245 19.000 -0.040 0.000 0.822 255 A HN 0.196 8.272 8.150 -0.124 0.000 0.443 256 A N -2.433 120.369 122.820 -0.029 0.000 1.933 256 A HA -0.286 4.027 4.320 -0.013 0.000 0.218 256 A C 1.959 179.575 177.584 0.053 0.000 1.175 256 A CA 2.422 54.490 52.037 0.052 0.000 0.628 256 A CB -0.619 18.572 19.000 0.319 0.000 0.814 256 A HN -0.564 7.562 8.150 -0.040 0.000 0.444 257 L N -5.805 115.408 121.223 -0.017 0.000 2.291 257 L HA -0.178 4.203 4.340 0.069 0.000 0.214 257 L C 1.097 177.964 176.870 -0.004 0.000 1.120 257 L CA 1.878 56.717 54.840 -0.002 0.000 0.799 257 L CB 0.060 42.063 42.059 -0.093 0.000 0.925 257 L HN -0.270 7.903 8.230 -0.096 0.000 0.446 258 S N -2.779 112.901 115.700 -0.034 0.000 2.502 258 S HA 0.040 4.493 4.470 -0.028 0.000 0.215 258 S C 1.120 175.727 174.600 0.012 0.000 1.009 258 S CA 1.213 59.397 58.200 -0.027 0.000 0.908 258 S CB 0.423 63.588 63.200 -0.059 0.000 0.801 258 S HN -0.576 7.568 8.310 -0.049 0.137 0.505 259 A N 2.822 125.634 122.820 -0.013 0.000 1.902 259 A HA -0.312 3.991 4.320 -0.028 0.000 0.217 259 A C 1.189 178.765 177.584 -0.014 0.000 1.181 259 A CA 3.477 55.494 52.037 -0.034 0.000 0.623 259 A CB -0.948 17.996 19.000 -0.094 0.000 0.818 259 A HN -0.307 7.830 8.150 -0.023 0.000 0.443 260 R N -1.586 118.915 120.500 0.001 0.000 2.080 260 R HA -0.420 3.898 4.340 -0.037 0.000 0.236 260 R C 2.043 178.367 176.300 0.040 0.000 1.137 260 R CA 3.609 59.711 56.100 0.004 0.000 0.943 260 R CB -0.293 30.019 30.300 0.021 0.000 0.846 260 R HN 0.044 8.319 8.270 0.008 0.000 0.431 261 H N -0.195 118.864 119.070 -0.017 0.000 2.267 261 H HA -0.219 4.332 4.556 -0.008 0.000 0.297 261 H C 1.707 177.025 175.328 -0.017 0.000 1.080 261 H CA 2.885 58.927 56.048 -0.010 0.000 1.278 261 H CB 0.011 29.775 29.762 0.003 0.000 1.365 261 H HN -0.297 8.100 8.280 0.195 0.000 0.489 262 V N -4.730 115.302 119.914 0.195 0.000 2.407 262 V HA -0.203 4.024 4.120 0.178 0.000 0.245 262 V C 0.967 177.082 176.094 0.036 0.000 1.041 262 V CA 2.602 64.979 62.300 0.129 0.000 1.040 262 V CB 0.437 32.314 31.823 0.090 0.000 0.671 262 V HN -0.044 8.251 8.190 0.176 0.000 0.455 263 T N -5.246 109.312 114.554 0.008 0.000 3.023 263 T HA -0.011 4.331 4.350 -0.012 0.000 0.249 263 T C 0.846 175.522 174.700 -0.040 0.000 1.050 263 T CA -0.130 61.959 62.100 -0.020 0.000 1.088 263 T CB 2.006 70.853 68.868 -0.035 0.000 0.946 263 T HN -0.250 7.996 8.240 0.010 0.000 0.480 264 G N 3.659 112.430 108.800 -0.048 0.000 2.166 264 G HA2 -0.497 3.426 3.960 -0.061 0.000 0.260 264 G HA3 -0.497 3.535 3.960 -0.063 -0.110 0.260 264 G C -0.980 173.867 174.900 -0.088 0.000 0.986 264 G CA 0.878 45.939 45.100 -0.064 0.000 0.683 264 G HN -0.350 7.917 8.290 -0.038 0.000 0.527 265 K N 0.411 120.745 120.400 -0.111 0.000 2.164 265 K HA 0.557 4.776 4.320 -0.167 0.000 0.258 265 K C -2.025 174.427 176.600 -0.246 0.000 0.951 265 K CA -3.736 52.449 56.287 -0.170 0.000 0.844 265 K CB 0.140 32.544 32.500 -0.161 0.000 1.099 265 K HN -0.613 7.540 8.250 -0.101 0.036 0.435 266 P HA 0.130 4.347 4.420 -0.338 0.000 0.274 266 P C -1.267 175.673 177.300 -0.600 0.000 1.231 266 P CA -0.474 62.332 63.100 -0.490 0.000 0.790 266 P CB 0.828 32.111 31.700 -0.696 0.000 0.951 267 I N -0.506 119.748 120.570 -0.527 0.000 2.297 267 I HA -0.041 3.977 4.170 -0.493 -0.144 0.291 267 I C -0.066 175.795 176.117 -0.426 0.000 1.033 267 I CA 0.114 61.064 61.300 -0.583 0.000 1.253 267 I CB -0.371 37.010 38.000 -1.032 0.000 1.396 267 I HN 0.003 7.948 8.210 -0.443 0.000 0.476 268 Y N 3.945 124.091 120.300 -0.257 0.000 2.314 268 Y HA 0.080 4.723 4.550 -0.384 -0.323 0.294 268 Y C -0.185 175.328 175.900 -0.645 0.000 1.119 268 Y CA 0.817 58.684 58.100 -0.389 0.000 1.179 268 Y CB 1.265 39.535 38.460 -0.317 0.000 1.025 268 Y HN 0.310 8.463 8.280 -0.212 0.000 0.541 269 F N -4.558 115.418 119.950 0.044 0.000 2.588 269 F HA 0.600 5.409 4.527 -0.020 -0.294 0.314 269 F C -2.093 173.728 175.800 0.036 0.000 1.069 269 F CA -1.793 56.209 58.000 0.002 0.000 0.931 269 F CB 5.208 44.185 39.000 -0.038 0.000 1.260 269 F HN -0.829 7.566 8.300 0.159 0.000 0.465 270 A N 0.008 122.997 122.820 0.281 0.000 2.331 270 A HA 0.759 5.362 4.320 0.231 -0.144 0.320 270 A C -1.393 176.287 177.584 0.161 0.000 1.138 270 A CA -2.207 49.974 52.037 0.241 0.000 0.790 270 A CB 2.822 21.987 19.000 0.276 0.000 1.206 270 A HN 0.922 9.233 8.150 0.269 0.000 0.470 271 G N 1.583 110.454 108.800 0.118 0.000 2.356 271 G HA2 0.446 4.445 3.960 0.065 0.000 0.300 271 G HA3 0.446 4.755 3.960 0.071 -0.306 0.300 271 G C -0.880 174.062 174.900 0.070 0.000 1.107 271 G CA -0.385 44.762 45.100 0.078 0.000 0.960 271 G HN 0.676 8.931 8.290 0.117 0.105 0.418 272 V N -0.123 119.827 119.914 0.059 0.000 3.528 272 V HA 0.569 4.709 4.120 0.035 0.000 0.294 272 V C -2.050 174.062 176.094 0.030 0.000 1.404 272 V CA -1.511 60.813 62.300 0.041 0.000 1.065 272 V CB 1.064 32.911 31.823 0.040 0.000 0.904 272 V HN 0.326 8.552 8.190 0.060 0.000 0.435 273 S N -3.333 112.386 115.700 0.033 0.000 2.636 273 S HA 0.156 4.788 4.470 0.024 -0.148 0.266 273 S C -0.462 174.154 174.600 0.026 0.000 1.147 273 S CA -0.622 57.593 58.200 0.026 0.000 0.815 273 S CB 2.472 65.687 63.200 0.024 0.000 1.119 273 S HN -0.904 7.428 8.310 0.037 0.000 0.470 274 E N -0.527 119.686 120.200 0.022 0.000 2.502 274 E HA -0.008 4.354 4.350 0.020 0.000 0.194 274 E C 0.399 177.011 176.600 0.019 0.000 1.062 274 E CA 0.322 56.734 56.400 0.020 0.000 0.867 274 E CB -0.442 29.269 29.700 0.017 0.000 0.888 274 E HN 0.305 8.677 8.360 0.020 0.000 0.510 275 K N -0.271 120.142 120.400 0.021 0.000 2.213 275 K HA -0.061 nan 4.320 nan 0.000 0.243 275 K C -0.691 175.923 176.600 0.022 0.000 1.085 275 K CA 0.043 56.343 56.287 0.021 0.000 0.818 275 K CB -1.359 31.155 32.500 0.024 0.000 1.106 275 K HN -0.863 7.343 8.250 0.022 0.058 0.520 276 P HA 0.019 4.452 4.420 0.022 0.000 0.222 276 P C -0.485 176.837 177.300 0.036 0.000 1.157 276 P CA 2.362 65.478 63.100 0.026 0.000 0.816 276 P CB 0.387 32.100 31.700 0.022 0.000 0.813 277 E N -5.544 114.681 120.200 0.042 0.000 2.489 277 E HA -0.114 4.279 4.350 0.073 0.000 0.193 277 E C 0.619 177.259 176.600 0.067 0.000 1.057 277 E CA 0.281 56.718 56.400 0.061 0.000 0.866 277 E CB -1.286 28.449 29.700 0.058 0.000 0.916 277 E HN -0.101 8.261 8.360 0.037 0.021 0.500 278 G N 1.031 109.862 108.800 0.050 0.000 3.709 278 G HA2 0.066 4.052 3.960 0.042 0.000 0.272 278 G HA3 0.066 4.061 3.960 0.058 0.000 0.272 278 G C -2.866 172.064 174.900 0.050 0.000 1.259 278 G CA -0.168 44.962 45.100 0.051 0.000 1.512 278 G HN 0.953 9.082 8.290 0.042 0.186 0.625 279 L N -0.209 121.046 121.223 0.054 0.000 2.376 279 L HA 0.875 5.444 4.340 0.064 -0.191 0.275 279 L C -2.156 174.756 176.870 0.070 0.000 0.987 279 L CA -0.588 54.278 54.840 0.044 0.000 0.828 279 L CB 3.094 45.134 42.059 -0.032 0.000 1.249 279 L HN -0.969 7.130 8.230 0.060 0.168 0.409 280 E N 6.121 126.393 120.200 0.121 0.000 2.369 280 E HA 0.530 4.929 4.350 0.082 0.000 0.270 280 E C -2.845 173.789 176.600 0.058 0.000 0.909 280 E CA -3.570 52.893 56.400 0.106 0.000 0.775 280 E CB 3.660 33.447 29.700 0.144 0.000 1.270 280 E HN 0.560 9.007 8.360 0.146 0.000 0.445 281 P HA 0.004 4.236 4.420 -0.810 -0.298 0.267 281 P C -1.317 175.611 177.300 -0.619 0.000 1.200 281 P CA 0.320 63.054 63.100 -0.611 0.000 0.772 281 P CB 0.451 31.733 31.700 -0.696 0.000 0.855 282 F N 3.502 123.085 119.950 -0.612 0.000 2.420 282 F HA 0.078 4.459 4.527 -0.244 0.000 0.352 282 F C -1.913 173.627 175.800 -0.434 0.000 1.108 282 F CA -0.277 57.501 58.000 -0.370 0.000 1.162 282 F CB 2.199 41.080 39.000 -0.198 0.000 1.118 282 F HN -0.113 7.994 8.300 -0.321 0.000 0.510 283 Y N 7.124 127.124 120.300 -0.500 0.000 2.712 283 Y HA 0.330 4.766 4.550 -0.190 0.000 0.328 283 Y C -1.775 173.831 175.900 -0.490 0.000 0.995 283 Y CA -3.175 54.721 58.100 -0.341 0.000 1.283 283 Y CB -0.372 37.959 38.460 -0.216 0.000 1.092 283 Y HN 0.310 8.214 8.280 -0.628 0.000 0.519 284 P HA -0.316 3.948 4.420 -0.260 0.000 0.214 284 P C 1.196 178.456 177.300 -0.068 0.000 1.163 284 P CA 2.690 65.705 63.100 -0.141 0.000 0.883 284 P CB 0.390 32.131 31.700 0.068 0.000 0.788 285 E N -1.998 118.178 120.200 -0.039 0.000 2.077 285 E HA -0.445 3.821 4.350 -0.140 0.000 0.193 285 E C 2.294 178.905 176.600 0.017 0.000 0.989 285 E CA 3.562 59.921 56.400 -0.068 0.000 0.800 285 E CB -0.416 29.238 29.700 -0.077 0.000 0.746 285 E HN 0.297 8.649 8.360 -0.012 0.000 0.452 286 R N -1.029 119.476 120.500 0.008 0.000 2.094 286 R HA -0.379 3.973 4.340 0.020 0.000 0.239 286 R C 2.621 178.921 176.300 -0.001 0.000 1.137 286 R CA 3.392 59.488 56.100 -0.007 0.000 0.943 286 R CB -0.333 29.915 30.300 -0.086 0.000 0.850 286 R HN -0.701 7.574 8.270 0.008 0.000 0.433 287 L N -1.389 119.797 121.223 -0.062 0.000 2.042 287 L HA -0.314 3.974 4.340 -0.086 0.000 0.210 287 L C 1.002 177.906 176.870 0.057 0.000 1.076 287 L CA 2.927 57.728 54.840 -0.066 0.000 0.749 287 L CB -0.463 41.483 42.059 -0.187 0.000 0.893 287 L HN -0.282 7.885 8.230 -0.105 0.000 0.432 288 A N -1.978 120.902 122.820 0.101 0.000 1.883 288 A HA -0.375 4.067 4.320 0.202 0.000 0.217 288 A C 2.288 180.056 177.584 0.306 0.000 1.186 288 A CA 3.467 55.625 52.037 0.200 0.000 0.624 288 A CB -1.030 18.031 19.000 0.102 0.000 0.822 288 A HN 0.277 8.460 8.150 0.055 0.000 0.444 289 G N -2.900 106.115 108.800 0.358 0.000 2.422 289 G HA2 -0.341 3.719 3.960 0.168 0.000 0.218 289 G HA3 -0.341 3.694 3.960 0.125 0.000 0.218 289 G C 1.451 176.392 174.900 0.068 0.000 1.146 289 G CA 1.707 46.925 45.100 0.196 0.000 0.769 289 G HN -0.388 8.112 8.290 0.351 0.000 0.547 290 R N 1.444 121.975 120.500 0.052 0.000 2.115 290 R HA -0.141 4.198 4.340 -0.002 0.000 0.226 290 R C 3.046 179.367 176.300 0.034 0.000 1.100 290 R CA 2.077 58.183 56.100 0.010 0.000 0.980 290 R CB -0.471 29.809 30.300 -0.034 0.000 0.875 290 R HN -0.382 7.921 8.270 0.056 0.000 0.445 291 I N 0.712 121.330 120.570 0.081 0.000 2.264 291 I HA -0.363 3.878 4.170 0.118 0.000 0.248 291 I C 1.618 177.790 176.117 0.091 0.000 1.111 291 I CA 3.990 65.362 61.300 0.120 0.000 1.382 291 I CB 0.064 38.180 38.000 0.193 0.000 1.060 291 I HN -0.052 8.216 8.210 0.097 0.000 0.418 292 L N -6.154 115.120 121.223 0.084 0.000 2.611 292 L HA -0.052 4.323 4.340 0.057 0.000 0.229 292 L C 0.146 177.021 176.870 0.008 0.000 1.137 292 L CA -0.273 54.598 54.840 0.051 0.000 0.901 292 L CB -0.079 42.013 42.059 0.054 0.000 1.098 292 L HN -0.777 7.488 8.230 0.098 0.024 0.456 293 G N -1.705 107.098 108.800 0.005 0.000 2.160 293 G HA2 -0.333 3.621 3.960 -0.009 0.000 0.251 293 G HA3 -0.333 3.621 3.960 -0.009 0.000 0.251 293 G C 0.420 175.299 174.900 -0.036 0.000 1.008 293 G CA 1.249 46.342 45.100 -0.012 0.000 0.724 293 G HN -0.257 7.761 8.290 0.016 0.282 0.514 294 M N -1.036 118.530 119.600 -0.056 0.000 2.561 294 M HA -0.070 4.352 4.480 -0.096 0.000 0.238 294 M C 0.698 176.952 176.300 -0.077 0.000 1.131 294 M CA 0.364 55.605 55.300 -0.098 0.000 1.046 294 M CB 0.146 32.627 32.600 -0.197 0.000 1.532 294 M HN -0.210 8.035 8.290 -0.047 0.017 0.497 295 G N -1.658 107.111 108.800 -0.050 0.000 2.760 295 G HA2 -0.332 3.600 3.960 -0.045 0.000 0.246 295 G HA3 -0.332 3.605 3.960 -0.038 0.000 0.246 295 G C -1.823 173.052 174.900 -0.041 0.000 1.359 295 G CA -0.571 44.503 45.100 -0.043 0.000 0.861 295 G HN -0.371 7.840 8.290 -0.041 0.054 0.541 296 D N 0.683 121.057 120.400 -0.043 0.000 2.559 296 D HA 0.221 4.834 4.640 -0.044 0.000 0.234 296 D C 0.382 176.653 176.300 -0.047 0.000 1.226 296 D CA -1.358 52.612 54.000 -0.049 0.000 0.830 296 D CB 0.325 41.086 40.800 -0.065 0.000 1.028 296 D HN 0.110 8.455 8.370 -0.042 0.000 0.492 297 V N 0.000 119.891 119.914 -0.038 0.000 2.409 297 V HA 0.000 4.101 4.120 -0.032 0.000 0.244 297 V CA 0.000 62.281 62.300 -0.031 0.000 1.235 297 V CB 0.000 31.812 31.823 -0.018 0.000 1.184 297 V HN 0.000 8.007 8.190 -0.040 0.159 0.556