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 2c03_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVTRD 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 ILGMG 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 4.254 4.480 -0.376 0.000 0.227 1 M C 0.000 176.111 176.300 -0.316 0.000 1.140 1 M CA 0.000 55.038 55.300 -0.436 0.000 0.988 1 M CB 0.000 32.087 32.600 -0.855 0.000 1.302 2 F N -5.316 114.638 119.950 0.007 0.000 2.871 2 F HA -0.491 4.183 4.527 -0.005 -0.151 0.326 2 F C 0.790 176.592 175.800 0.003 0.000 0.675 2 F CA 1.345 59.346 58.000 0.002 0.000 1.188 2 F CB -2.495 36.509 39.000 0.007 0.000 1.567 2 F HN 0.339 8.363 8.300 -0.459 0.000 0.325 3 Q N -1.566 118.299 119.800 0.109 0.000 2.084 3 Q HA -0.484 3.916 4.340 0.101 0.000 0.202 3 Q C 1.721 177.760 176.000 0.066 0.000 0.978 3 Q CA 3.299 59.151 55.803 0.082 0.000 0.844 3 Q CB -0.932 27.831 28.738 0.042 0.000 0.898 3 Q HN 0.269 8.528 8.270 0.046 0.038 0.426 4 Q N 0.294 120.124 119.800 0.051 0.000 2.050 4 Q HA -0.332 4.027 4.340 0.032 0.000 0.202 4 Q C 1.715 177.744 176.000 0.048 0.000 0.980 4 Q CA 3.360 59.186 55.803 0.039 0.000 0.840 4 Q CB -0.565 28.188 28.738 0.025 0.000 0.898 4 Q HN 0.037 8.332 8.270 0.042 0.000 0.424 5 L N -0.686 120.578 121.223 0.069 0.000 2.046 5 L HA -0.308 4.055 4.340 0.038 0.000 0.208 5 L C 1.747 178.647 176.870 0.050 0.000 1.077 5 L CA 2.888 57.763 54.840 0.058 0.000 0.747 5 L CB -0.354 41.754 42.059 0.081 0.000 0.896 5 L HN -0.039 8.243 8.230 0.087 0.000 0.432 6 S N 0.087 115.831 115.700 0.073 0.000 2.382 6 S HA -0.369 4.204 4.470 0.042 -0.078 0.228 6 S C 2.016 176.642 174.600 0.043 0.000 1.027 6 S CA 3.522 61.756 58.200 0.057 0.000 0.991 6 S CB -0.121 63.127 63.200 0.079 0.000 0.823 6 S HN 0.076 8.448 8.310 0.104 0.000 0.469 7 A N 0.830 123.675 122.820 0.042 0.000 1.902 7 A HA -0.251 4.087 4.320 0.030 0.000 0.217 7 A C 1.590 179.190 177.584 0.027 0.000 1.181 7 A CA 3.166 55.222 52.037 0.032 0.000 0.623 7 A CB -0.793 18.224 19.000 0.029 0.000 0.818 7 A HN -0.067 8.112 8.150 0.048 0.000 0.443 8 R N -0.634 119.882 120.500 0.028 0.000 2.075 8 R HA -0.206 4.147 4.340 0.022 0.000 0.232 8 R C 2.512 178.827 176.300 0.026 0.000 1.126 8 R CA 2.997 59.111 56.100 0.024 0.000 0.963 8 R CB 0.058 30.371 30.300 0.022 0.000 0.858 8 R HN -0.602 7.678 8.270 0.030 0.009 0.435 9 L N -1.018 120.222 121.223 0.028 0.000 2.056 9 L HA -0.435 3.928 4.340 0.038 0.000 0.207 9 L C 1.913 178.805 176.870 0.036 0.000 1.078 9 L CA 3.240 58.101 54.840 0.035 0.000 0.749 9 L CB -0.272 41.807 42.059 0.035 0.000 0.901 9 L HN 0.031 8.277 8.230 0.027 0.000 0.433 10 Q N -1.845 117.974 119.800 0.032 0.000 2.084 10 Q HA -0.459 3.898 4.340 0.029 0.000 0.202 10 Q C 2.400 178.413 176.000 0.023 0.000 0.978 10 Q CA 3.606 59.425 55.803 0.027 0.000 0.844 10 Q CB -0.259 28.494 28.738 0.025 0.000 0.898 10 Q HN 0.048 8.336 8.270 0.032 0.000 0.426 11 E N 0.166 120.379 120.200 0.022 0.000 2.058 11 E HA -0.380 3.980 4.350 0.016 0.000 0.194 11 E C 1.957 178.568 176.600 0.019 0.000 0.997 11 E CA 3.000 59.411 56.400 0.019 0.000 0.801 11 E CB -0.130 29.581 29.700 0.018 0.000 0.746 11 E HN -0.269 8.105 8.360 0.023 0.000 0.450 12 A N -1.223 121.612 122.820 0.024 0.000 1.902 12 A HA -0.253 4.080 4.320 0.022 0.000 0.217 12 A C 2.261 179.860 177.584 0.025 0.000 1.181 12 A CA 2.963 55.015 52.037 0.025 0.000 0.623 12 A CB -0.378 18.641 19.000 0.031 0.000 0.818 12 A HN -0.498 7.668 8.150 0.026 0.000 0.443 13 I N -3.314 117.272 120.570 0.028 0.000 2.233 13 I HA -0.415 3.771 4.170 0.025 0.000 0.243 13 I C 2.527 178.654 176.117 0.017 0.000 1.093 13 I CA 3.196 64.511 61.300 0.025 0.000 1.380 13 I CB 0.015 38.032 38.000 0.030 0.000 1.067 13 I HN -0.387 7.841 8.210 0.030 0.000 0.413 14 G N -1.192 107.617 108.800 0.015 0.000 2.432 14 G HA2 -0.335 3.631 3.960 0.011 0.000 0.219 14 G HA3 -0.335 3.630 3.960 0.009 0.000 0.219 14 G C 0.829 175.735 174.900 0.010 0.000 1.135 14 G CA 1.460 46.566 45.100 0.011 0.000 0.767 14 G HN -0.007 8.293 8.290 0.017 0.000 0.550 15 R N 0.414 120.921 120.500 0.011 0.000 2.127 15 R HA -0.347 3.998 4.340 0.009 0.000 0.238 15 R C 1.669 177.975 176.300 0.009 0.000 1.134 15 R CA 2.382 58.488 56.100 0.010 0.000 0.975 15 R CB -0.083 30.224 30.300 0.012 0.000 0.865 15 R HN -0.342 7.918 8.270 0.013 0.019 0.447 16 L N -4.736 116.493 121.223 0.009 0.000 2.341 16 L HA -0.153 4.191 4.340 0.007 0.000 0.214 16 L C -0.051 176.822 176.870 0.005 0.000 1.115 16 L CA 0.055 54.900 54.840 0.008 0.000 0.820 16 L CB 0.139 42.203 42.059 0.009 0.000 0.944 16 L HN -0.620 7.593 8.230 0.011 0.023 0.452 17 R N -0.146 120.357 120.500 0.005 0.000 2.537 17 R HA -0.166 4.176 4.340 0.002 0.000 0.280 17 R C 1.061 177.362 176.300 0.002 0.000 1.058 17 R CA 1.451 57.553 56.100 0.003 0.000 1.057 17 R CB 0.504 30.806 30.300 0.003 0.000 0.973 17 R HN -0.743 7.369 8.270 0.006 0.162 0.438 18 G N 4.685 113.485 108.800 0.001 0.000 2.155 18 G HA2 -0.329 3.631 3.960 0.000 0.000 0.257 18 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.257 18 G C 0.547 175.448 174.900 0.001 0.000 0.983 18 G CA 1.291 46.391 45.100 0.000 0.000 0.676 18 G HN 0.757 9.047 8.290 0.000 0.000 0.528 19 R N -1.153 119.348 120.500 0.001 0.000 2.334 19 R HA 0.124 4.465 4.340 0.002 0.000 0.212 19 R C 0.592 176.893 176.300 0.001 0.000 0.897 19 R CA -0.456 55.645 56.100 0.002 0.000 1.056 19 R CB 0.515 30.817 30.300 0.003 0.000 1.046 19 R HN -0.337 7.893 8.270 0.002 0.041 0.513 20 G N 0.177 108.977 108.800 0.001 0.000 2.598 20 G HA2 -0.322 3.638 3.960 0.000 0.000 0.244 20 G HA3 -0.322 3.803 3.960 -0.000 -0.166 0.244 20 G C -1.802 173.099 174.900 0.001 0.000 1.302 20 G CA -0.488 44.613 45.100 0.000 0.000 0.903 20 G HN -0.101 8.139 8.290 0.001 0.051 0.575 21 R N 0.824 121.324 120.500 0.000 0.000 2.590 21 R HA -0.011 4.479 4.340 0.000 -0.150 0.274 21 R C -0.278 176.023 176.300 0.001 0.000 1.061 21 R CA 0.528 56.628 56.100 0.000 0.000 1.081 21 R CB 0.732 31.032 30.300 -0.000 0.000 0.984 21 R HN 0.010 8.280 8.270 0.000 0.000 0.448 22 I N -0.553 120.017 120.570 0.001 0.000 2.750 22 I HA 0.558 4.812 4.170 0.002 -0.083 0.308 22 I C -0.840 175.278 176.117 0.001 0.000 1.016 22 I CA -2.403 58.898 61.300 0.002 0.000 1.098 22 I CB 3.223 41.224 38.000 0.003 0.000 1.279 22 I HN 0.227 8.438 8.210 0.001 0.000 0.454 23 T N -0.914 113.641 114.554 0.001 0.000 2.862 23 T HA 0.241 4.591 4.350 0.000 0.000 0.276 23 T C 0.871 175.571 174.700 0.001 0.000 0.974 23 T CA -2.245 59.856 62.100 0.001 0.000 0.966 23 T CB 2.062 70.930 68.868 0.001 0.000 1.072 23 T HN 0.126 8.677 8.240 0.002 -0.310 0.538 24 E N 1.304 121.504 120.200 0.000 0.000 2.085 24 E HA -0.389 3.961 4.350 -0.000 0.000 0.194 24 E C 1.869 178.470 176.600 0.001 0.000 0.994 24 E CA 4.472 60.872 56.400 0.000 0.000 0.801 24 E CB -0.124 29.576 29.700 -0.000 0.000 0.743 24 E HN 0.478 8.838 8.360 0.000 0.000 0.453 25 E N -1.038 119.164 120.200 0.002 0.000 2.070 25 E HA -0.365 3.987 4.350 0.003 0.000 0.197 25 E C 2.309 178.911 176.600 0.004 0.000 1.004 25 E CA 3.082 59.484 56.400 0.003 0.000 0.805 25 E CB -0.441 29.261 29.700 0.003 0.000 0.744 25 E HN -0.216 8.145 8.360 0.002 0.000 0.451 26 D N -0.445 119.958 120.400 0.004 0.000 2.123 26 D HA -0.287 4.356 4.640 0.006 0.000 0.196 26 D C 2.551 178.854 176.300 0.006 0.000 0.992 26 D CA 3.099 57.102 54.000 0.005 0.000 0.833 26 D CB -0.287 40.515 40.800 0.004 0.000 0.954 26 D HN -0.643 7.729 8.370 0.003 0.000 0.455 27 L N -0.103 121.122 121.223 0.005 0.000 2.017 27 L HA -0.317 4.026 4.340 0.006 0.000 0.208 27 L C 1.242 178.115 176.870 0.006 0.000 1.073 27 L CA 3.073 57.916 54.840 0.004 0.000 0.745 27 L CB -0.121 41.939 42.059 0.001 0.000 0.894 27 L HN -0.358 7.874 8.230 0.003 0.000 0.432 28 K N -1.490 118.913 120.400 0.005 0.000 2.074 28 K HA -0.497 3.827 4.320 0.007 0.000 0.209 28 K C 2.146 178.753 176.600 0.010 0.000 1.048 28 K CA 3.833 60.124 56.287 0.007 0.000 0.926 28 K CB -0.425 32.078 32.500 0.005 0.000 0.713 28 K HN -0.123 8.130 8.250 0.004 0.000 0.444 29 A N -2.129 120.697 122.820 0.010 0.000 1.902 29 A HA -0.263 4.064 4.320 0.012 0.000 0.217 29 A C 2.197 179.790 177.584 0.015 0.000 1.181 29 A CA 3.215 55.259 52.037 0.012 0.000 0.623 29 A CB -0.749 18.257 19.000 0.010 0.000 0.818 29 A HN -0.242 7.908 8.150 0.008 0.005 0.443 30 T N 1.732 116.295 114.554 0.016 0.000 2.777 30 T HA -0.287 4.076 4.350 0.022 0.000 0.266 30 T C 1.830 176.547 174.700 0.028 0.000 1.040 30 T CA 4.979 67.092 62.100 0.021 0.000 1.141 30 T CB -0.353 68.526 68.868 0.019 0.000 0.868 30 T HN -0.591 7.657 8.240 0.014 0.000 0.444 31 L N 0.419 121.657 121.223 0.025 0.000 2.083 31 L HA -0.415 3.950 4.340 0.041 0.000 0.209 31 L C 1.931 178.823 176.870 0.037 0.000 1.083 31 L CA 3.519 58.378 54.840 0.031 0.000 0.752 31 L CB -0.572 41.498 42.059 0.019 0.000 0.899 31 L HN -0.036 8.205 8.230 0.019 0.000 0.433 32 R N -1.969 118.547 120.500 0.027 0.000 2.115 32 R HA -0.357 3.999 4.340 0.027 0.000 0.226 32 R C 2.264 178.580 176.300 0.027 0.000 1.100 32 R CA 3.674 59.789 56.100 0.025 0.000 0.980 32 R CB -0.370 29.941 30.300 0.018 0.000 0.875 32 R HN 0.065 8.348 8.270 0.022 0.000 0.445 33 E N 0.742 120.958 120.200 0.027 0.000 2.072 33 E HA -0.202 4.161 4.350 0.022 0.000 0.191 33 E C 2.084 178.705 176.600 0.034 0.000 0.985 33 E CA 2.435 58.851 56.400 0.026 0.000 0.801 33 E CB -0.771 28.944 29.700 0.024 0.000 0.750 33 E HN -0.477 7.899 8.360 0.026 0.000 0.452 34 I N 0.027 120.626 120.570 0.048 0.000 2.226 34 I HA -0.609 3.595 4.170 0.057 0.000 0.245 34 I C 1.723 177.876 176.117 0.059 0.000 1.100 34 I CA 4.748 66.089 61.300 0.068 0.000 1.374 34 I CB -0.314 37.755 38.000 0.115 0.000 1.057 34 I HN -0.207 8.033 8.210 0.050 0.000 0.413 35 R N -0.060 120.475 120.500 0.059 0.000 2.094 35 R HA -0.441 3.928 4.340 0.048 0.000 0.239 35 R C 2.160 178.472 176.300 0.020 0.000 1.137 35 R CA 4.004 60.130 56.100 0.042 0.000 0.943 35 R CB -0.177 30.146 30.300 0.038 0.000 0.850 35 R HN -0.213 8.094 8.270 0.060 0.000 0.433 36 R N -2.732 117.779 120.500 0.019 0.000 2.081 36 R HA -0.339 4.007 4.340 0.010 0.000 0.235 36 R C 2.470 178.775 176.300 0.008 0.000 1.131 36 R CA 3.222 59.329 56.100 0.012 0.000 0.960 36 R CB -0.254 30.054 30.300 0.013 0.000 0.856 36 R HN -0.035 8.182 8.270 0.023 0.067 0.436 37 A N 0.162 122.987 122.820 0.009 0.000 1.908 37 A HA -0.296 4.028 4.320 0.007 0.000 0.218 37 A C 1.676 179.253 177.584 -0.012 0.000 1.181 37 A CA 3.203 55.242 52.037 0.004 0.000 0.627 37 A CB -0.583 18.421 19.000 0.008 0.000 0.818 37 A HN 0.037 8.196 8.150 0.015 0.000 0.445 38 L N -2.738 118.467 121.223 -0.030 0.000 2.027 38 L HA -0.402 3.892 4.340 -0.077 0.000 0.206 38 L C 2.491 179.339 176.870 -0.037 0.000 1.074 38 L CA 3.186 57.989 54.840 -0.063 0.000 0.745 38 L CB -0.030 41.964 42.059 -0.108 0.000 0.898 38 L HN -0.414 7.802 8.230 -0.024 0.000 0.433 39 M N -2.542 117.046 119.600 -0.020 0.000 2.394 39 M HA -0.211 4.420 4.480 -0.016 -0.160 0.264 39 M C 2.423 178.720 176.300 -0.005 0.000 1.073 39 M CA 3.418 58.711 55.300 -0.012 0.000 1.111 39 M CB -0.040 32.557 32.600 -0.005 0.000 1.401 39 M HN -0.024 8.174 8.290 -0.014 0.083 0.448 40 D N 0.680 121.079 120.400 -0.002 0.000 2.269 40 D HA -0.152 4.489 4.640 0.002 0.000 0.208 40 D C 0.561 176.864 176.300 0.004 0.000 0.963 40 D CA 2.644 56.646 54.000 0.002 0.000 0.864 40 D CB 0.137 40.940 40.800 0.005 0.000 0.936 40 D HN -0.256 8.028 8.370 -0.002 0.085 0.505 41 A N -3.647 119.176 122.820 0.005 0.000 2.238 41 A HA -0.138 4.194 4.320 0.019 0.000 0.208 41 A C -1.520 176.070 177.584 0.011 0.000 1.177 41 A CA 0.310 52.357 52.037 0.016 0.000 0.804 41 A CB -0.105 18.914 19.000 0.032 0.000 0.823 41 A HN -0.629 7.388 8.150 -0.000 0.133 0.482 42 D N -7.556 112.844 120.400 0.001 0.000 3.017 42 D HA -0.371 4.336 4.640 -0.003 -0.069 0.220 42 D C -1.132 175.165 176.300 -0.006 0.000 1.141 42 D CA 1.224 55.223 54.000 -0.001 0.000 0.848 42 D CB -2.338 38.462 40.800 0.001 0.000 1.102 42 D HN 0.139 8.196 8.370 -0.002 0.312 0.427 43 V N -0.247 119.657 119.914 -0.018 0.000 2.715 43 V HA -0.188 3.913 4.120 -0.031 0.000 0.299 43 V C 0.227 176.306 176.094 -0.026 0.000 1.054 43 V CA 0.749 63.028 62.300 -0.035 0.000 1.077 43 V CB 0.665 32.444 31.823 -0.074 0.000 0.972 43 V HN -0.586 7.553 8.190 -0.021 0.038 0.484 44 N N 5.765 124.452 118.700 -0.021 0.000 2.371 44 N HA -0.191 4.547 4.740 -0.005 0.000 0.243 44 N C 0.385 175.889 175.510 -0.011 0.000 1.287 44 N CA 0.358 53.402 53.050 -0.009 0.000 0.911 44 N CB 0.678 39.166 38.487 0.002 0.000 1.142 44 N HN 0.254 8.620 8.380 -0.023 0.000 0.451 45 L N 0.903 122.126 121.223 -0.001 0.000 1.944 45 L HA -0.296 4.045 4.340 0.002 0.000 0.218 45 L C 1.323 178.196 176.870 0.004 0.000 1.075 45 L CA 3.987 58.829 54.840 0.003 0.000 0.767 45 L CB -0.417 41.647 42.059 0.008 0.000 0.890 45 L HN 0.404 8.636 8.230 0.002 0.000 0.434 46 E N -3.017 117.190 120.200 0.011 0.000 2.114 46 E HA -0.390 3.974 4.350 0.023 0.000 0.199 46 E C 1.837 178.441 176.600 0.006 0.000 1.008 46 E CA 3.029 59.442 56.400 0.021 0.000 0.810 46 E CB -1.376 28.347 29.700 0.038 0.000 0.739 46 E HN 0.122 8.491 8.360 0.014 0.000 0.456 47 V N 0.606 120.503 119.914 -0.029 0.000 2.270 47 V HA -0.281 3.716 4.120 -0.205 0.000 0.245 47 V C 2.654 178.694 176.094 -0.090 0.000 1.043 47 V CA 3.610 65.828 62.300 -0.137 0.000 1.014 47 V CB -0.342 31.374 31.823 -0.178 0.000 0.645 47 V HN -0.295 8.041 8.190 -0.020 -0.158 0.447 48 T N 2.243 116.771 114.554 -0.044 0.000 2.867 48 T HA -0.310 4.040 4.350 0.001 0.000 0.268 48 T C 1.759 176.497 174.700 0.064 0.000 1.057 48 T CA 4.710 66.812 62.100 0.003 0.000 1.136 48 T CB -0.276 68.583 68.868 -0.014 0.000 0.874 48 T HN -0.216 8.016 8.240 -0.043 -0.018 0.466 49 R N 1.303 121.825 120.500 0.036 0.000 2.073 49 R HA -0.375 3.990 4.340 0.043 0.000 0.234 49 R C 2.123 178.451 176.300 0.046 0.000 1.134 49 R CA 4.180 60.304 56.100 0.039 0.000 0.952 49 R CB -0.158 30.157 30.300 0.025 0.000 0.850 49 R HN 0.119 8.400 8.270 0.019 0.000 0.433 50 D N -0.813 119.612 120.400 0.041 0.000 2.144 50 D HA -0.221 4.438 4.640 0.031 0.000 0.199 50 D C 2.122 178.450 176.300 0.047 0.000 0.984 50 D CA 3.359 57.384 54.000 0.040 0.000 0.834 50 D CB -0.401 40.428 40.800 0.048 0.000 0.955 50 D HN -0.158 8.228 8.370 0.027 0.000 0.465 51 F N 1.643 121.549 119.950 -0.072 0.000 2.102 51 F HA -0.375 4.116 4.527 -0.060 0.000 0.298 51 F C 0.959 176.736 175.800 -0.037 0.000 1.105 51 F CA 3.941 61.903 58.000 -0.063 0.000 1.239 51 F CB 0.324 39.275 39.000 -0.082 0.000 0.991 51 F HN -0.499 7.920 8.300 0.198 0.000 0.474 52 V N -1.252 118.735 119.914 0.121 0.000 2.427 52 V HA -0.532 3.585 4.120 -0.005 0.000 0.248 52 V C 1.701 177.761 176.094 -0.056 0.000 1.051 52 V CA 4.289 66.608 62.300 0.031 0.000 1.048 52 V CB -0.605 31.276 31.823 0.097 0.000 0.666 52 V HN -0.140 8.174 8.190 0.207 0.000 0.456 53 E N 0.019 120.195 120.200 -0.039 0.000 2.077 53 E HA -0.350 3.978 4.350 -0.037 0.000 0.193 53 E C 1.949 178.497 176.600 -0.087 0.000 0.989 53 E CA 3.010 59.383 56.400 -0.046 0.000 0.800 53 E CB -0.342 29.347 29.700 -0.020 0.000 0.746 53 E HN -0.229 8.124 8.360 -0.011 0.000 0.452 54 R N -1.126 119.292 120.500 -0.136 0.000 2.081 54 R HA -0.303 3.970 4.340 -0.113 0.000 0.235 54 R C 2.243 178.421 176.300 -0.203 0.000 1.131 54 R CA 3.273 59.273 56.100 -0.166 0.000 0.960 54 R CB -0.166 30.012 30.300 -0.204 0.000 0.856 54 R HN -0.451 7.733 8.270 -0.143 0.000 0.436 55 V N 0.024 119.762 119.914 -0.293 0.000 2.343 55 V HA -0.359 3.619 4.120 -0.236 0.000 0.247 55 V C 2.128 178.148 176.094 -0.122 0.000 1.051 55 V CA 3.739 65.895 62.300 -0.239 0.000 1.036 55 V CB -0.457 31.201 31.823 -0.276 0.000 0.654 55 V HN -0.298 7.669 8.190 -0.371 0.000 0.451 56 R N -0.304 120.141 120.500 -0.093 0.000 2.083 56 R HA -0.462 3.852 4.340 -0.043 0.000 0.237 56 R C 2.073 178.344 176.300 -0.049 0.000 1.137 56 R CA 4.046 60.114 56.100 -0.053 0.000 0.951 56 R CB -0.192 30.086 30.300 -0.037 0.000 0.851 56 R HN -0.009 8.201 8.270 -0.100 0.000 0.434 57 E N -1.341 118.826 120.200 -0.056 0.000 2.051 57 E HA -0.366 3.964 4.350 -0.034 0.000 0.192 57 E C 2.612 179.185 176.600 -0.045 0.000 0.991 57 E CA 3.405 59.779 56.400 -0.045 0.000 0.799 57 E CB -0.233 29.440 29.700 -0.045 0.000 0.748 57 E HN -0.300 8.020 8.360 -0.066 0.000 0.449 58 E N -1.395 118.769 120.200 -0.060 0.000 2.107 58 E HA -0.240 4.085 4.350 -0.042 0.000 0.191 58 E C 2.358 178.935 176.600 -0.038 0.000 0.982 58 E CA 2.447 58.817 56.400 -0.051 0.000 0.809 58 E CB -0.407 29.251 29.700 -0.069 0.000 0.756 58 E HN -0.259 8.055 8.360 -0.078 0.000 0.459 59 A N -0.004 122.791 122.820 -0.041 0.000 1.898 59 A HA -0.172 4.135 4.320 -0.022 0.000 0.216 59 A C 2.124 179.696 177.584 -0.020 0.000 1.181 59 A CA 2.982 55.003 52.037 -0.027 0.000 0.620 59 A CB -0.386 18.598 19.000 -0.026 0.000 0.819 59 A HN 0.070 8.189 8.150 -0.052 0.000 0.442 60 L N -2.690 118.520 121.223 -0.022 0.000 2.083 60 L HA -0.379 3.953 4.340 -0.013 0.000 0.209 60 L C 3.033 179.894 176.870 -0.014 0.000 1.083 60 L CA 2.447 57.278 54.840 -0.016 0.000 0.752 60 L CB -0.400 41.650 42.059 -0.016 0.000 0.899 60 L HN -0.189 8.026 8.230 -0.026 0.000 0.433 61 G N -1.377 107.413 108.800 -0.017 0.000 2.432 61 G HA2 -0.278 3.672 3.960 -0.017 0.000 0.219 61 G HA3 -0.278 3.674 3.960 -0.013 0.000 0.219 61 G C 0.344 175.237 174.900 -0.011 0.000 1.135 61 G CA 1.584 46.675 45.100 -0.015 0.000 0.767 61 G HN -0.173 8.104 8.290 -0.021 0.000 0.550 62 K N -0.681 119.712 120.400 -0.012 0.000 2.469 62 K HA 0.109 4.425 4.320 -0.007 0.000 0.201 62 K C -1.196 175.400 176.600 -0.006 0.000 1.028 62 K CA -0.645 55.638 56.287 -0.008 0.000 1.170 62 K CB -0.058 32.438 32.500 -0.007 0.000 0.874 62 K HN -0.690 7.431 8.250 -0.014 0.121 0.507 63 Q N -4.458 115.337 119.800 -0.007 0.000 2.463 63 Q HA -0.370 3.966 4.340 -0.006 0.000 0.299 63 Q C 0.514 176.511 176.000 -0.005 0.000 1.353 63 Q CA 0.255 56.055 55.803 -0.006 0.000 0.828 63 Q CB -3.062 25.674 28.738 -0.005 0.000 1.157 63 Q HN -0.216 7.867 8.270 -0.009 0.182 0.436 64 V N -0.567 119.343 119.914 -0.006 0.000 2.469 64 V HA -0.333 3.785 4.120 -0.004 0.000 0.251 64 V C 0.105 176.197 176.094 -0.003 0.000 1.064 64 V CA 2.763 65.061 62.300 -0.005 0.000 1.066 64 V CB -0.254 31.566 31.823 -0.006 0.000 0.667 64 V HN -0.357 7.828 8.190 -0.008 0.000 0.461 65 L N -6.198 115.022 121.223 -0.004 0.000 2.554 65 L HA 0.020 4.359 4.340 -0.002 0.000 0.226 65 L C 0.164 177.033 176.870 -0.002 0.000 1.137 65 L CA 0.919 55.758 54.840 -0.003 0.000 0.863 65 L CB -0.646 41.411 42.059 -0.003 0.000 0.985 65 L HN -0.218 7.993 8.230 -0.005 0.017 0.451 66 E N -3.502 116.696 120.200 -0.003 0.000 2.389 66 E HA 0.018 4.366 4.350 -0.002 0.000 0.199 66 E C 0.235 176.834 176.600 -0.002 0.000 0.978 66 E CA -0.655 55.743 56.400 -0.002 0.000 0.912 66 E CB 0.149 29.847 29.700 -0.003 0.000 0.907 66 E HN -0.557 7.648 8.360 -0.003 0.154 0.494 67 S N 1.005 116.704 115.700 -0.002 0.000 2.562 67 S HA -0.129 4.340 4.470 -0.002 0.000 0.281 67 S C 1.208 175.807 174.600 -0.001 0.000 1.333 67 S CA -0.663 57.535 58.200 -0.002 0.000 1.052 67 S CB 0.590 63.789 63.200 -0.002 0.000 0.884 67 S HN -0.603 7.705 8.310 -0.002 0.000 0.506 68 L N 2.463 123.685 121.223 -0.002 0.000 2.554 68 L HA 0.057 4.397 4.340 -0.001 0.000 0.226 68 L C 0.130 177.000 176.870 -0.001 0.000 1.137 68 L CA 0.519 55.358 54.840 -0.001 0.000 0.863 68 L CB -0.210 41.848 42.059 -0.002 0.000 0.985 68 L HN 0.483 8.712 8.230 -0.002 0.000 0.451 69 T N -6.132 108.421 114.554 -0.001 0.000 3.585 69 T HA 0.465 4.815 4.350 -0.001 0.000 0.252 69 T C -1.342 173.357 174.700 -0.000 0.000 1.382 69 T CA -2.982 59.117 62.100 -0.001 0.000 1.584 69 T CB -0.357 68.509 68.868 -0.003 0.000 0.892 69 T HN -0.323 7.871 8.240 -0.002 0.045 0.671 70 P HA -0.120 4.301 4.420 0.001 0.000 0.219 70 P C 0.526 177.829 177.300 0.004 0.000 1.146 70 P CA 2.129 65.230 63.100 0.002 0.000 0.808 70 P CB -0.357 31.344 31.700 0.002 0.000 0.779 71 A N -2.399 120.424 122.820 0.004 0.000 1.940 71 A HA -0.278 4.048 4.320 0.010 0.000 0.219 71 A C 2.141 179.729 177.584 0.007 0.000 1.176 71 A CA 3.068 55.109 52.037 0.007 0.000 0.631 71 A CB -0.715 18.288 19.000 0.006 0.000 0.814 71 A HN 0.486 8.618 8.150 0.003 0.021 0.446 72 E N -2.526 117.676 120.200 0.002 0.000 2.216 72 E HA -0.165 4.184 4.350 -0.001 0.000 0.192 72 E C 2.424 179.027 176.600 0.004 0.000 0.988 72 E CA 1.847 58.247 56.400 -0.000 0.000 0.834 72 E CB -0.679 29.017 29.700 -0.006 0.000 0.772 72 E HN -0.486 7.863 8.360 0.001 0.012 0.479 73 V N 1.204 121.121 119.914 0.005 0.000 2.307 73 V HA -0.386 3.738 4.120 0.007 0.000 0.245 73 V C 1.758 177.859 176.094 0.011 0.000 1.045 73 V CA 4.032 66.336 62.300 0.006 0.000 1.024 73 V CB -0.507 31.317 31.823 0.001 0.000 0.651 73 V HN -0.890 7.216 8.190 0.003 0.087 0.449 74 I N -0.975 119.602 120.570 0.012 0.000 2.226 74 I HA -0.420 3.756 4.170 0.010 0.000 0.245 74 I C 1.938 178.077 176.117 0.036 0.000 1.100 74 I CA 2.593 63.903 61.300 0.018 0.000 1.374 74 I CB -1.157 36.854 38.000 0.019 0.000 1.057 74 I HN -0.060 8.156 8.210 0.010 0.000 0.413 75 L N 0.739 121.983 121.223 0.036 0.000 1.989 75 L HA -0.408 3.971 4.340 0.065 0.000 0.211 75 L C 1.485 178.404 176.870 0.083 0.000 1.071 75 L CA 3.619 58.489 54.840 0.051 0.000 0.749 75 L CB -0.870 41.201 42.059 0.020 0.000 0.890 75 L HN -0.058 8.187 8.230 0.025 0.000 0.431 76 A N -3.065 119.791 122.820 0.061 0.000 1.902 76 A HA -0.354 4.042 4.320 0.127 0.000 0.217 76 A C 1.886 179.542 177.584 0.120 0.000 1.181 76 A CA 3.145 55.240 52.037 0.097 0.000 0.623 76 A CB -0.875 18.157 19.000 0.052 0.000 0.818 76 A HN -0.164 8.008 8.150 0.037 0.000 0.443 77 T N 1.360 115.947 114.554 0.055 0.000 2.737 77 T HA -0.303 4.045 4.350 -0.002 0.000 0.265 77 T C 1.923 176.616 174.700 -0.011 0.000 1.038 77 T CA 4.978 67.080 62.100 0.004 0.000 1.144 77 T CB -0.299 68.552 68.868 -0.028 0.000 0.866 77 T HN -0.433 7.831 8.240 0.041 0.000 0.434 78 V N 2.176 122.115 119.914 0.043 0.000 2.358 78 V HA -0.406 3.730 4.120 0.026 0.000 0.246 78 V C 1.262 177.461 176.094 0.175 0.000 1.047 78 V CA 4.324 66.688 62.300 0.106 0.000 1.035 78 V CB -0.549 31.374 31.823 0.168 0.000 0.658 78 V HN 0.004 8.230 8.190 0.060 0.000 0.452 79 Y N 1.139 121.472 120.300 0.054 0.000 2.097 79 Y HA -0.566 4.018 4.550 0.056 0.000 0.282 79 Y C 1.002 176.926 175.900 0.039 0.000 1.152 79 Y CA 3.892 62.019 58.100 0.045 0.000 1.136 79 Y CB -0.199 38.273 38.460 0.019 0.000 0.975 79 Y HN -0.001 8.445 8.280 0.277 0.000 0.498 80 E N -0.928 119.215 120.200 -0.095 0.000 2.051 80 E HA -0.479 3.674 4.350 -0.329 0.000 0.192 80 E C 2.044 178.548 176.600 -0.161 0.000 0.991 80 E CA 2.671 58.962 56.400 -0.183 0.000 0.799 80 E CB -0.640 29.035 29.700 -0.043 0.000 0.748 80 E HN -0.273 8.140 8.360 0.088 0.000 0.449 81 A N -0.894 121.856 122.820 -0.117 0.000 1.972 81 A HA -0.210 4.207 4.320 -0.124 -0.171 0.219 81 A C 2.109 179.770 177.584 0.128 0.000 1.169 81 A CA 2.753 54.714 52.037 -0.126 0.000 0.635 81 A CB -0.501 18.189 19.000 -0.516 0.000 0.810 81 A HN -0.289 7.795 8.150 -0.111 0.000 0.446 82 L N -1.332 120.000 121.223 0.182 0.000 2.023 82 L HA -0.288 4.228 4.340 0.294 0.000 0.205 82 L C 1.452 178.307 176.870 -0.024 0.000 1.073 82 L CA 2.465 57.401 54.840 0.160 0.000 0.745 82 L CB -0.509 41.596 42.059 0.076 0.000 0.900 82 L HN -0.066 8.217 8.230 0.108 0.012 0.435 83 K N -0.572 119.710 120.400 -0.197 0.000 1.990 83 K HA -0.548 3.660 4.320 -0.187 0.000 0.225 83 K C 1.967 178.513 176.600 -0.090 0.000 1.053 83 K CA 4.006 60.161 56.287 -0.220 0.000 0.982 83 K CB -0.218 32.035 32.500 -0.412 0.000 0.734 83 K HN -0.370 7.687 8.250 -0.322 0.000 0.448 84 E N -1.608 118.544 120.200 -0.081 0.000 2.065 84 E HA -0.436 4.007 4.350 -0.034 -0.114 0.201 84 E C 2.617 179.233 176.600 0.026 0.000 1.016 84 E CA 3.042 59.426 56.400 -0.027 0.000 0.818 84 E CB -0.557 29.126 29.700 -0.028 0.000 0.749 84 E HN -0.237 8.055 8.360 -0.114 0.000 0.453 85 A N -0.281 122.581 122.820 0.070 0.000 1.940 85 A HA -0.263 4.140 4.320 0.139 0.000 0.219 85 A C 1.896 179.533 177.584 0.088 0.000 1.176 85 A CA 2.785 54.891 52.037 0.115 0.000 0.631 85 A CB -0.384 18.712 19.000 0.160 0.000 0.814 85 A HN -0.146 8.052 8.150 0.080 0.000 0.446 86 L N -7.055 114.211 121.223 0.072 0.000 2.610 86 L HA -0.206 4.209 4.340 0.125 0.000 0.232 86 L C 0.390 177.359 176.870 0.165 0.000 1.149 86 L CA 0.543 55.463 54.840 0.134 0.000 0.872 86 L CB -0.305 41.854 42.059 0.168 0.000 0.992 86 L HN -0.203 7.887 8.230 0.050 0.170 0.447 87 G N -4.855 103.989 108.800 0.074 0.000 2.229 87 G HA2 -0.215 3.781 3.960 0.060 0.000 0.189 87 G HA3 -0.215 3.757 3.960 0.019 0.000 0.189 87 G C 0.289 175.192 174.900 0.004 0.000 1.000 87 G CA -0.423 44.700 45.100 0.040 0.000 0.663 87 G HN -0.087 7.924 8.290 0.052 0.311 0.493 88 G N 1.711 110.504 108.800 -0.013 0.000 4.886 88 G HA2 -0.489 3.550 3.960 -0.027 0.000 0.305 88 G HA3 -0.489 3.524 3.960 -0.048 -0.082 0.305 88 G C -1.887 172.987 174.900 -0.042 0.000 1.483 88 G CA 0.292 45.372 45.100 -0.035 0.000 1.029 88 G HN 0.327 8.610 8.290 -0.011 0.000 0.746 89 E N 3.466 123.643 120.200 -0.039 0.000 2.207 89 E HA 0.486 4.981 4.350 -0.041 -0.169 0.270 89 E C -1.266 175.274 176.600 -0.101 0.000 0.927 89 E CA -2.853 53.517 56.400 -0.050 0.000 0.799 89 E CB 1.962 31.645 29.700 -0.028 0.000 1.172 89 E HN -0.561 7.779 8.360 -0.033 0.000 0.404 90 A N 1.604 124.303 122.820 -0.201 0.000 2.531 90 A HA -0.222 3.895 4.320 -0.338 0.000 0.236 90 A C -0.524 176.931 177.584 -0.215 0.000 1.062 90 A CA 1.078 52.890 52.037 -0.374 0.000 0.760 90 A CB 0.629 19.055 19.000 -0.957 0.000 0.995 90 A HN 0.246 8.285 8.150 -0.185 0.000 0.501 91 R N 2.342 122.752 120.500 -0.150 0.000 2.621 91 R HA 0.274 4.585 4.340 -0.047 0.000 0.284 91 R C -2.452 173.837 176.300 -0.018 0.000 0.998 91 R CA -0.498 55.583 56.100 -0.031 0.000 0.895 91 R CB 2.534 32.867 30.300 0.054 0.000 1.195 91 R HN 0.357 8.534 8.270 -0.154 0.000 0.450 92 L N 3.495 124.647 121.223 -0.119 0.000 2.350 92 L HA 0.531 4.511 4.340 -0.601 0.000 0.260 92 L C -2.229 174.330 176.870 -0.517 0.000 1.015 92 L CA -3.472 51.139 54.840 -0.381 0.000 0.821 92 L CB 2.093 44.039 42.059 -0.189 0.000 1.370 92 L HN 0.057 8.235 8.230 -0.087 0.000 0.416 93 P HA -0.079 3.933 4.420 -0.679 0.000 0.269 93 P C -0.985 176.231 177.300 -0.140 0.000 1.209 93 P CA -0.375 62.330 63.100 -0.657 0.000 0.776 93 P CB 0.090 31.226 31.700 -0.940 0.000 0.876 94 V N -1.370 118.511 119.914 -0.055 0.000 2.686 94 V HA 0.010 4.163 4.120 0.055 0.000 0.295 94 V C -1.140 175.034 176.094 0.134 0.000 1.055 94 V CA -0.365 61.964 62.300 0.048 0.000 1.050 94 V CB 0.255 32.099 31.823 0.035 0.000 0.984 94 V HN 0.075 8.215 8.190 -0.083 0.000 0.482 95 L N 5.438 126.737 121.223 0.126 0.000 2.334 95 L HA 0.183 4.709 4.340 0.148 -0.097 0.275 95 L C -0.129 176.781 176.870 0.065 0.000 1.036 95 L CA -0.509 54.398 54.840 0.112 0.000 0.807 95 L CB 1.021 43.132 42.059 0.086 0.000 1.231 95 L HN 0.081 8.375 8.230 0.106 0.000 0.438 96 K N -0.192 120.232 120.400 0.039 0.000 2.261 96 K HA 0.334 4.670 4.320 0.027 0.000 0.242 96 K C -0.683 175.915 176.600 -0.003 0.000 1.083 96 K CA -2.199 54.102 56.287 0.024 0.000 0.880 96 K CB 3.175 35.695 32.500 0.034 0.000 1.353 96 K HN 0.605 9.510 8.250 0.024 -0.640 0.486 97 D N -0.437 119.962 120.400 -0.002 0.000 2.149 97 D HA -0.372 4.260 4.640 -0.014 0.000 0.198 97 D C -0.451 175.832 176.300 -0.028 0.000 0.990 97 D CA 2.967 56.960 54.000 -0.013 0.000 0.839 97 D CB 0.382 41.178 40.800 -0.007 0.000 0.948 97 D HN 0.237 8.609 8.370 0.004 0.000 0.460 98 R N -1.863 118.623 120.500 -0.023 0.000 2.534 98 R HA 0.162 4.466 4.340 -0.060 0.000 0.301 98 R C -2.315 173.962 176.300 -0.038 0.000 0.961 98 R CA -1.153 54.924 56.100 -0.038 0.000 0.871 98 R CB 1.809 32.097 30.300 -0.020 0.000 1.170 98 R HN -0.531 7.732 8.270 -0.010 0.001 0.446 99 N N 3.824 122.459 118.700 -0.108 0.000 2.480 99 N HA 0.279 5.332 4.740 0.011 -0.306 0.289 99 N C -2.287 173.066 175.510 -0.263 0.000 1.073 99 N CA 0.047 53.004 53.050 -0.155 0.000 0.885 99 N CB 2.987 41.260 38.487 -0.356 0.000 1.421 99 N HN 0.263 8.556 8.380 -0.145 0.000 0.503 100 L N 3.735 124.931 121.223 -0.045 0.000 2.372 100 L HA 0.731 5.216 4.340 -0.077 -0.191 0.274 100 L C -2.566 174.493 176.870 0.314 0.000 0.988 100 L CA -1.007 53.850 54.840 0.029 0.000 0.833 100 L CB 2.883 44.986 42.059 0.074 0.000 1.236 100 L HN 0.723 9.661 8.230 0.101 -0.647 0.410 101 W N 4.037 125.386 121.300 0.081 0.000 2.702 101 W HA 0.666 5.552 4.660 0.061 -0.190 0.331 101 W C -1.264 175.435 176.519 0.300 0.000 1.049 101 W CA -3.740 53.671 57.345 0.111 0.000 1.230 101 W CB 2.552 32.050 29.460 0.063 0.000 1.408 101 W HN 0.890 9.180 8.180 0.184 0.000 0.492 102 F N 0.284 120.372 119.950 0.229 0.000 2.385 102 F HA 0.400 5.142 4.527 0.117 -0.144 0.336 102 F C -0.727 175.139 175.800 0.110 0.000 1.100 102 F CA -2.616 55.463 58.000 0.132 0.000 1.116 102 F CB 1.472 40.526 39.000 0.089 0.000 1.166 102 F HN 0.456 9.031 8.300 0.459 0.000 0.511 103 L N 2.354 123.705 121.223 0.214 0.000 2.282 103 L HA 0.773 5.347 4.340 0.098 -0.175 0.288 103 L C -0.825 176.052 176.870 0.012 0.000 1.033 103 L CA -1.465 53.431 54.840 0.094 0.000 0.807 103 L CB 0.235 42.327 42.059 0.053 0.000 1.209 103 L HN 0.633 8.952 8.230 0.148 0.000 0.423 104 V N -2.840 117.026 119.914 -0.081 0.000 3.040 104 V HA 0.804 4.834 4.120 -0.150 0.000 0.312 104 V C -1.310 174.490 176.094 -0.491 0.000 1.115 104 V CA -3.743 58.404 62.300 -0.254 0.000 0.998 104 V CB 3.577 35.223 31.823 -0.295 0.000 1.042 104 V HN 0.411 8.545 8.190 -0.093 0.000 0.433 105 G N -0.675 107.757 108.800 -0.613 0.000 2.369 105 G HA2 0.049 3.833 3.960 -0.294 0.000 0.293 105 G HA3 0.049 3.590 3.960 -0.698 0.000 0.293 105 G C -2.207 172.679 174.900 -0.022 0.000 1.301 105 G CA -0.092 44.747 45.100 -0.434 0.000 0.913 105 G HN -0.219 7.786 8.290 -0.475 0.000 0.540 106 L N -1.147 120.107 121.223 0.052 0.000 2.418 106 L HA 0.138 4.658 4.340 0.141 -0.096 0.265 106 L C 0.384 177.279 176.870 0.042 0.000 1.143 106 L CA -0.753 54.143 54.840 0.093 0.000 0.809 106 L CB 1.212 43.324 42.059 0.089 0.000 1.124 106 L HN 0.341 8.584 8.230 0.022 0.000 0.456 107 Q N 2.412 122.239 119.800 0.044 0.000 2.315 107 Q HA -0.292 4.059 4.340 0.018 0.000 0.289 107 Q C 1.013 177.024 176.000 0.017 0.000 1.044 107 Q CA 1.874 57.691 55.803 0.024 0.000 0.920 107 Q CB 0.547 29.299 28.738 0.024 0.000 1.214 107 Q HN -0.168 8.112 8.270 0.057 0.024 0.392 108 G N 4.850 113.655 108.800 0.009 0.000 2.199 108 G HA2 -0.364 3.600 3.960 0.006 0.000 0.254 108 G HA3 -0.364 3.598 3.960 0.003 0.000 0.254 108 G C 0.517 175.417 174.900 0.001 0.000 0.982 108 G CA 0.827 45.930 45.100 0.005 0.000 0.632 108 G HN 0.538 8.832 8.290 0.006 0.000 0.529 109 S N 0.884 116.583 115.700 -0.001 0.000 2.481 109 S HA -0.131 4.334 4.470 -0.008 0.000 0.231 109 S C 0.863 175.456 174.600 -0.012 0.000 0.996 109 S CA 1.908 60.103 58.200 -0.009 0.000 0.942 109 S CB 0.395 63.583 63.200 -0.020 0.000 0.768 109 S HN -0.506 7.740 8.310 0.001 0.064 0.520 110 G N 0.262 109.057 108.800 -0.009 0.000 2.179 110 G HA2 -0.370 3.586 3.960 -0.006 0.000 0.220 110 G HA3 -0.370 3.587 3.960 -0.004 0.000 0.220 110 G C 0.542 175.436 174.900 -0.010 0.000 0.990 110 G CA 0.085 45.181 45.100 -0.007 0.000 0.646 110 G HN -0.190 8.046 8.290 -0.007 0.050 0.517 111 K N 0.333 120.723 120.400 -0.017 0.000 2.009 111 K HA -0.359 3.947 4.320 -0.024 0.000 0.210 111 K C 0.925 177.518 176.600 -0.012 0.000 1.049 111 K CA 3.849 60.123 56.287 -0.022 0.000 0.929 111 K CB -0.041 32.438 32.500 -0.035 0.000 0.714 111 K HN -0.746 7.493 8.250 -0.018 0.000 0.440 112 T N -1.464 113.084 114.554 -0.009 0.000 2.737 112 T HA -0.235 4.220 4.350 -0.007 -0.110 0.265 112 T C 2.181 176.880 174.700 -0.003 0.000 1.038 112 T CA 5.012 67.108 62.100 -0.006 0.000 1.144 112 T CB -0.967 67.897 68.868 -0.006 0.000 0.866 112 T HN 0.337 8.571 8.240 -0.009 0.000 0.434 113 T N 3.398 117.951 114.554 -0.002 0.000 2.665 113 T HA -0.341 4.011 4.350 0.002 0.000 0.268 113 T C 1.911 176.611 174.700 -0.000 0.000 1.035 113 T CA 4.859 66.959 62.100 0.001 0.000 1.151 113 T CB -0.735 68.135 68.868 0.002 0.000 0.862 113 T HN -0.070 8.168 8.240 -0.002 0.000 0.438 114 T N 3.964 118.515 114.554 -0.005 0.000 2.746 114 T HA -0.378 3.961 4.350 -0.018 0.000 0.267 114 T C 1.193 175.884 174.700 -0.014 0.000 1.039 114 T CA 4.799 66.891 62.100 -0.014 0.000 1.142 114 T CB -0.545 68.314 68.868 -0.014 0.000 0.866 114 T HN -0.108 8.130 8.240 -0.005 0.000 0.444 115 A N 0.281 123.102 122.820 0.002 0.000 1.883 115 A HA -0.305 4.032 4.320 0.029 0.000 0.217 115 A C 1.513 179.106 177.584 0.015 0.000 1.186 115 A CA 3.198 55.244 52.037 0.016 0.000 0.624 115 A CB -1.021 17.988 19.000 0.015 0.000 0.822 115 A HN -0.326 7.825 8.150 0.001 0.000 0.444 116 A N -2.728 120.097 122.820 0.009 0.000 1.930 116 A HA -0.268 4.061 4.320 0.015 0.000 0.217 116 A C 2.150 179.748 177.584 0.022 0.000 1.175 116 A CA 3.042 55.087 52.037 0.014 0.000 0.627 116 A CB -0.736 18.270 19.000 0.009 0.000 0.815 116 A HN -0.517 7.637 8.150 0.006 0.000 0.443 117 K N -1.206 119.202 120.400 0.014 0.000 2.097 117 K HA -0.269 4.072 4.320 0.035 0.000 0.206 117 K C 2.310 178.928 176.600 0.030 0.000 1.049 117 K CA 3.061 59.360 56.287 0.020 0.000 0.933 117 K CB -0.103 32.400 32.500 0.005 0.000 0.717 117 K HN -0.376 7.877 8.250 0.006 0.000 0.442 118 L N -0.753 120.469 121.223 -0.002 0.000 2.093 118 L HA -0.290 4.018 4.340 -0.052 0.000 0.208 118 L C 0.617 177.604 176.870 0.194 0.000 1.085 118 L CA 2.468 57.323 54.840 0.025 0.000 0.755 118 L CB -0.403 41.641 42.059 -0.025 0.000 0.904 118 L HN 0.062 8.284 8.230 -0.014 0.000 0.435 119 A N -0.553 122.335 122.820 0.112 0.000 1.877 119 A HA -0.329 4.053 4.320 0.104 0.000 0.216 119 A C 1.963 179.607 177.584 0.101 0.000 1.186 119 A CA 3.263 55.356 52.037 0.094 0.000 0.620 119 A CB -0.951 18.071 19.000 0.036 0.000 0.822 119 A HN -0.318 7.875 8.150 0.070 0.000 0.443 120 L N -0.801 120.471 121.223 0.081 0.000 2.017 120 L HA -0.353 4.011 4.340 0.039 0.000 0.208 120 L C 1.427 178.335 176.870 0.064 0.000 1.073 120 L CA 2.936 57.812 54.840 0.061 0.000 0.745 120 L CB -0.609 41.481 42.059 0.053 0.000 0.894 120 L HN -0.496 7.777 8.230 0.072 0.000 0.432 121 Y N -0.142 120.140 120.300 -0.031 0.000 2.081 121 Y HA -0.575 3.928 4.550 -0.078 0.000 0.280 121 Y C 1.657 177.476 175.900 -0.135 0.000 1.163 121 Y CA 4.293 62.329 58.100 -0.107 0.000 1.135 121 Y CB 0.181 38.528 38.460 -0.189 0.000 0.970 121 Y HN -0.348 8.056 8.280 0.208 0.000 0.498 122 Y N -3.987 116.351 120.300 0.063 0.000 2.395 122 Y HA -0.368 4.124 4.550 -0.098 0.000 0.293 122 Y C 2.009 177.859 175.900 -0.085 0.000 1.123 122 Y CA 3.425 61.511 58.100 -0.023 0.000 1.227 122 Y CB -0.118 38.371 38.460 0.050 0.000 1.012 122 Y HN -0.093 8.361 8.280 0.290 0.000 0.552 123 K N 1.591 122.032 120.400 0.067 0.000 2.063 123 K HA -0.277 4.451 4.320 0.016 -0.399 0.208 123 K C 3.063 179.639 176.600 -0.040 0.000 1.048 123 K CA 3.170 59.462 56.287 0.010 0.000 0.928 123 K CB -0.273 32.231 32.500 0.007 0.000 0.713 123 K HN -0.085 8.218 8.250 0.087 0.000 0.442 124 G N -1.734 107.008 108.800 -0.098 0.000 2.471 124 G HA2 -0.163 3.696 3.960 -0.168 0.000 0.219 124 G HA3 -0.163 3.745 3.960 -0.087 0.000 0.219 124 G C 0.499 175.303 174.900 -0.161 0.000 1.125 124 G CA 1.446 46.466 45.100 -0.134 0.000 0.775 124 G HN -0.197 8.026 8.290 -0.110 0.000 0.548 125 K N -0.288 119.996 120.400 -0.193 0.000 2.410 125 K HA 0.166 4.406 4.320 -0.133 0.000 0.200 125 K C 0.080 176.666 176.600 -0.024 0.000 1.023 125 K CA -1.821 54.386 56.287 -0.133 0.000 1.149 125 K CB -0.150 32.243 32.500 -0.179 0.000 0.859 125 K HN -0.827 7.150 8.250 -0.207 0.149 0.514 126 G N -0.911 107.878 108.800 -0.018 0.000 2.141 126 G HA2 -0.388 3.572 3.960 0.000 0.000 0.231 126 G HA3 -0.388 3.566 3.960 -0.010 0.000 0.231 126 G C -0.601 174.305 174.900 0.009 0.000 0.984 126 G CA 0.157 45.256 45.100 -0.002 0.000 0.660 126 G HN -0.362 7.745 8.290 -0.031 0.164 0.525 127 R N -1.460 119.056 120.500 0.027 0.000 2.546 127 R HA 0.055 4.388 4.340 -0.011 0.000 0.266 127 R C -0.204 176.088 176.300 -0.014 0.000 1.086 127 R CA -2.229 53.874 56.100 0.006 0.000 1.160 127 R CB 0.791 31.104 30.300 0.021 0.000 1.138 127 R HN -0.373 7.924 8.270 0.045 0.000 0.567 128 R N -0.102 120.373 120.500 -0.042 0.000 2.587 128 R HA 0.502 4.824 4.340 -0.030 0.000 0.283 128 R C -2.383 173.879 176.300 -0.064 0.000 1.472 128 R CA -2.278 53.797 56.100 -0.042 0.000 1.578 128 R CB 0.270 30.547 30.300 -0.038 0.000 1.130 128 R HN 0.452 9.001 8.270 -0.060 -0.316 0.602 129 P HA 0.539 5.106 4.420 -0.132 -0.226 0.274 129 P C -1.711 175.550 177.300 -0.065 0.000 1.237 129 P CA -0.893 62.155 63.100 -0.086 0.000 0.793 129 P CB 0.912 32.578 31.700 -0.056 0.000 0.977 130 L N 1.419 122.596 121.223 -0.078 0.000 2.409 130 L HA 0.466 4.781 4.340 -0.041 0.000 0.272 130 L C -2.096 174.745 176.870 -0.048 0.000 0.980 130 L CA -0.907 53.901 54.840 -0.053 0.000 0.826 130 L CB 3.924 45.953 42.059 -0.050 0.000 1.268 130 L HN 0.342 8.510 8.230 -0.104 0.000 0.407 131 L N 5.837 127.041 121.223 -0.031 0.000 2.312 131 L HA 0.508 4.997 4.340 -0.023 -0.163 0.281 131 L C -1.234 175.623 176.870 -0.022 0.000 1.070 131 L CA -0.462 54.364 54.840 -0.023 0.000 0.805 131 L CB 1.622 43.672 42.059 -0.015 0.000 1.174 131 L HN 0.452 8.667 8.230 -0.027 0.000 0.434 132 V N 2.904 122.804 119.914 -0.023 0.000 2.407 132 V HA 0.530 5.030 4.120 -0.025 -0.395 0.291 132 V C -1.775 174.296 176.094 -0.040 0.000 1.018 132 V CA -1.866 60.417 62.300 -0.029 0.000 0.842 132 V CB 2.211 34.016 31.823 -0.029 0.000 0.996 132 V HN 0.476 8.653 8.190 -0.021 0.000 0.426 133 A N 7.506 130.305 122.820 -0.034 0.000 2.506 133 A HA 0.401 4.697 4.320 -0.039 0.000 0.320 133 A C -1.404 176.153 177.584 -0.045 0.000 1.424 133 A CA -1.465 50.551 52.037 -0.036 0.000 1.044 133 A CB 0.176 19.162 19.000 -0.024 0.000 1.140 133 A HN 0.757 8.890 8.150 -0.028 0.000 0.538 134 A N 2.228 125.008 122.820 -0.067 0.000 2.345 134 A HA 0.090 4.370 4.320 -0.066 0.000 0.225 134 A C -1.256 176.290 177.584 -0.064 0.000 1.243 134 A CA -0.660 51.328 52.037 -0.082 0.000 0.875 134 A CB 0.596 19.506 19.000 -0.149 0.000 0.929 134 A HN 0.013 8.118 8.150 -0.076 0.000 0.502 135 D N -1.068 119.305 120.400 -0.044 0.000 2.342 135 D HA -0.060 4.563 4.640 -0.028 0.000 0.260 135 D C 0.454 176.742 176.300 -0.021 0.000 1.278 135 D CA -0.032 53.952 54.000 -0.028 0.000 0.910 135 D CB 0.576 41.365 40.800 -0.018 0.000 1.079 135 D HN -0.348 7.997 8.370 -0.041 0.000 0.496 136 T N 4.617 119.160 114.554 -0.018 0.000 3.129 136 T HA -0.002 4.340 4.350 -0.013 0.000 0.251 136 T C 1.002 175.698 174.700 -0.008 0.000 1.117 136 T CA 1.318 63.411 62.100 -0.013 0.000 1.034 136 T CB -0.294 68.568 68.868 -0.010 0.000 0.968 136 T HN 0.288 8.517 8.240 -0.019 0.000 0.526 137 Q N 1.337 121.133 119.800 -0.006 0.000 2.442 137 Q HA 0.103 4.441 4.340 -0.003 0.000 0.228 137 Q C 0.344 176.342 176.000 -0.004 0.000 0.902 137 Q CA 0.892 56.693 55.803 -0.004 0.000 0.933 137 Q CB 1.987 30.724 28.738 -0.002 0.000 1.071 137 Q HN -0.173 8.338 8.270 -0.007 -0.245 0.562 138 R N 0.065 120.563 120.500 -0.004 0.000 2.312 138 R HA 0.468 4.806 4.340 -0.003 0.000 0.310 138 R C -1.868 174.429 176.300 -0.005 0.000 1.064 138 R CA -2.835 53.263 56.100 -0.003 0.000 0.983 138 R CB 0.069 30.368 30.300 -0.001 0.000 1.139 138 R HN -0.700 7.781 8.270 -0.006 -0.214 0.536 139 P HA -0.235 4.181 4.420 -0.007 0.000 0.217 139 P C 0.699 177.996 177.300 -0.005 0.000 1.148 139 P CA 2.801 65.898 63.100 -0.005 0.000 0.828 139 P CB 0.226 31.923 31.700 -0.004 0.000 0.783 140 A N -3.989 118.829 122.820 -0.004 0.000 1.933 140 A HA -0.162 4.156 4.320 -0.003 0.000 0.218 140 A C 1.990 179.572 177.584 -0.004 0.000 1.175 140 A CA 2.749 54.784 52.037 -0.003 0.000 0.628 140 A CB -1.024 17.975 19.000 -0.002 0.000 0.814 140 A HN 0.321 8.451 8.150 -0.003 0.019 0.444 141 A N -2.361 120.456 122.820 -0.004 0.000 1.930 141 A HA -0.265 4.053 4.320 -0.004 0.000 0.217 141 A C 2.076 179.655 177.584 -0.009 0.000 1.175 141 A CA 2.954 54.987 52.037 -0.005 0.000 0.627 141 A CB -0.726 18.271 19.000 -0.005 0.000 0.815 141 A HN -0.418 7.730 8.150 -0.004 0.000 0.443 142 R N -2.945 117.549 120.500 -0.010 0.000 2.090 142 R HA -0.332 3.999 4.340 -0.015 0.000 0.228 142 R C 2.385 178.680 176.300 -0.009 0.000 1.110 142 R CA 3.395 59.488 56.100 -0.012 0.000 0.973 142 R CB -0.295 29.997 30.300 -0.013 0.000 0.869 142 R HN -0.656 7.609 8.270 -0.009 0.000 0.440 143 E N -0.523 119.673 120.200 -0.007 0.000 2.153 143 E HA -0.245 4.213 4.350 -0.006 -0.111 0.194 143 E C 2.380 178.977 176.600 -0.005 0.000 0.988 143 E CA 2.653 59.049 56.400 -0.005 0.000 0.811 143 E CB -0.618 29.079 29.700 -0.004 0.000 0.746 143 E HN -0.299 8.058 8.360 -0.007 0.000 0.466 144 Q N -0.547 119.251 119.800 -0.005 0.000 2.061 144 Q HA -0.288 4.051 4.340 -0.002 0.000 0.204 144 Q C 2.367 178.365 176.000 -0.004 0.000 0.984 144 Q CA 3.358 59.159 55.803 -0.003 0.000 0.846 144 Q CB -0.107 28.629 28.738 -0.003 0.000 0.902 144 Q HN -0.567 7.700 8.270 -0.005 0.000 0.421 145 L N -1.302 119.917 121.223 -0.006 0.000 2.093 145 L HA -0.215 4.122 4.340 -0.005 0.000 0.208 145 L C 1.411 178.278 176.870 -0.006 0.000 1.085 145 L CA 2.382 57.218 54.840 -0.006 0.000 0.755 145 L CB -0.591 41.462 42.059 -0.010 0.000 0.904 145 L HN -0.651 7.574 8.230 -0.007 0.000 0.435 146 R N -0.726 119.770 120.500 -0.007 0.000 2.083 146 R HA -0.469 3.867 4.340 -0.007 0.000 0.237 146 R C 2.200 178.498 176.300 -0.004 0.000 1.137 146 R CA 3.888 59.984 56.100 -0.006 0.000 0.951 146 R CB -0.193 30.103 30.300 -0.006 0.000 0.851 146 R HN -0.432 7.834 8.270 -0.007 0.000 0.434 147 L N -0.868 120.353 121.223 -0.003 0.000 2.017 147 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 147 L C 1.629 178.499 176.870 -0.000 0.000 1.073 147 L CA 3.006 57.845 54.840 -0.001 0.000 0.745 147 L CB -0.059 41.999 42.059 -0.001 0.000 0.894 147 L HN -0.587 7.641 8.230 -0.003 0.000 0.432 148 L N -2.862 118.361 121.223 0.000 0.000 2.083 148 L HA -0.433 3.909 4.340 0.003 0.000 0.209 148 L C 2.299 179.170 176.870 0.003 0.000 1.083 148 L CA 2.970 57.812 54.840 0.002 0.000 0.752 148 L CB -0.874 41.187 42.059 0.002 0.000 0.899 148 L HN -0.511 7.718 8.230 -0.001 0.000 0.433 149 G N -2.357 106.443 108.800 0.000 0.000 2.418 149 G HA2 -0.414 3.544 3.960 -0.003 0.000 0.217 149 G HA3 -0.414 3.546 3.960 0.001 0.000 0.217 149 G C 0.909 175.809 174.900 -0.000 0.000 1.158 149 G CA 1.772 46.872 45.100 -0.000 0.000 0.771 149 G HN 0.064 8.353 8.290 -0.001 0.000 0.545 150 E N 1.936 122.135 120.200 -0.001 0.000 2.085 150 E HA -0.303 4.046 4.350 -0.002 0.000 0.194 150 E C 2.786 179.386 176.600 0.001 0.000 0.994 150 E CA 2.971 59.371 56.400 -0.001 0.000 0.801 150 E CB -0.142 29.557 29.700 -0.001 0.000 0.743 150 E HN -0.519 7.840 8.360 -0.001 0.000 0.453 151 K N -1.101 119.300 120.400 0.003 0.000 2.365 151 K HA -0.169 4.153 4.320 0.004 0.000 0.199 151 K C 1.479 178.083 176.600 0.006 0.000 1.045 151 K CA 2.286 58.575 56.287 0.004 0.000 0.962 151 K CB 0.249 32.752 32.500 0.005 0.000 0.759 151 K HN -0.412 7.749 8.250 0.002 0.091 0.469 152 V N -7.438 112.481 119.914 0.007 0.000 3.578 152 V HA 0.301 4.427 4.120 0.010 0.000 0.290 152 V C 0.297 176.395 176.094 0.006 0.000 1.376 152 V CA -1.096 61.210 62.300 0.010 0.000 1.083 152 V CB -0.090 31.742 31.823 0.015 0.000 0.911 152 V HN -0.588 7.586 8.190 0.006 0.019 0.433 153 G N 1.145 109.947 108.800 0.003 0.000 2.272 153 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.280 153 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.280 153 G C -1.373 173.525 174.900 -0.002 0.000 1.067 153 G CA 1.226 46.325 45.100 -0.000 0.000 0.902 153 G HN -0.422 7.705 8.290 0.002 0.165 0.500 154 V N 0.612 120.525 119.914 -0.002 0.000 2.588 154 V HA 0.377 4.492 4.120 -0.008 0.000 0.304 154 V C -2.284 173.805 176.094 -0.009 0.000 1.042 154 V CA -3.540 58.757 62.300 -0.006 0.000 0.877 154 V CB 3.102 34.923 31.823 -0.003 0.000 0.996 154 V HN -0.474 7.715 8.190 -0.001 0.000 0.425 155 P HA 0.055 4.469 4.420 -0.011 0.000 0.271 155 P C -1.862 175.429 177.300 -0.015 0.000 1.218 155 P CA -0.363 62.729 63.100 -0.013 0.000 0.780 155 P CB 0.490 32.181 31.700 -0.016 0.000 0.901 156 V N 0.917 120.824 119.914 -0.013 0.000 2.531 156 V HA 0.554 4.880 4.120 -0.016 -0.215 0.301 156 V C -0.446 175.640 176.094 -0.014 0.000 1.034 156 V CA -1.406 60.886 62.300 -0.014 0.000 0.865 156 V CB 2.712 34.529 31.823 -0.011 0.000 0.995 156 V HN 0.060 8.243 8.190 -0.011 0.000 0.424 157 L N 8.725 129.938 121.223 -0.015 0.000 2.280 157 L HA 0.475 4.808 4.340 -0.012 0.000 0.287 157 L C -1.673 175.188 176.870 -0.016 0.000 1.023 157 L CA -1.300 53.531 54.840 -0.014 0.000 0.819 157 L CB 2.210 44.260 42.059 -0.014 0.000 1.212 157 L HN 0.729 8.948 8.230 -0.017 0.000 0.420 158 E N 6.867 127.059 120.200 -0.014 0.000 2.227 158 E HA 0.227 4.695 4.350 -0.018 -0.129 0.282 158 E C -0.010 176.581 176.600 -0.015 0.000 1.015 158 E CA -1.392 54.999 56.400 -0.015 0.000 0.823 158 E CB 1.334 31.027 29.700 -0.012 0.000 1.081 158 E HN 0.432 8.785 8.360 -0.012 0.000 0.396 159 V N 1.615 121.518 119.914 -0.018 0.000 3.237 159 V HA 0.066 4.279 4.120 -0.013 -0.101 0.305 159 V C -0.795 175.292 176.094 -0.012 0.000 1.096 159 V CA -0.191 62.100 62.300 -0.016 0.000 1.130 159 V CB 0.734 32.544 31.823 -0.022 0.000 1.048 159 V HN 0.077 8.254 8.190 -0.023 0.000 0.484 160 M N 0.802 120.396 119.600 -0.009 0.000 2.359 160 M HA 0.162 4.638 4.480 -0.007 0.000 0.322 160 M C -0.396 175.901 176.300 -0.006 0.000 1.166 160 M CA -0.121 55.175 55.300 -0.007 0.000 1.067 160 M CB 1.719 34.316 32.600 -0.004 0.000 1.523 160 M HN 0.291 8.929 8.290 -0.008 -0.352 0.467 161 D N 0.675 121.072 120.400 -0.005 0.000 2.531 161 D HA -0.290 4.523 4.640 -0.005 -0.177 0.239 161 D C 1.718 178.016 176.300 -0.003 0.000 1.144 161 D CA 1.609 55.606 54.000 -0.004 0.000 0.869 161 D CB -0.467 40.331 40.800 -0.003 0.000 1.160 161 D HN 0.048 8.415 8.370 -0.005 0.000 0.484 162 G N 4.404 113.202 108.800 -0.003 0.000 2.166 162 G HA2 -0.516 3.443 3.960 -0.001 0.000 0.260 162 G HA3 -0.516 3.443 3.960 -0.001 0.000 0.260 162 G C -0.484 174.416 174.900 -0.000 0.000 0.986 162 G CA 0.474 45.573 45.100 -0.001 0.000 0.683 162 G HN 0.317 8.605 8.290 -0.004 0.000 0.527 163 E N -0.129 120.070 120.200 -0.002 0.000 2.414 163 E HA -0.065 4.285 4.350 0.001 0.000 0.263 163 E C -0.294 176.308 176.600 0.003 0.000 1.000 163 E CA 0.112 56.512 56.400 0.000 0.000 0.914 163 E CB 1.284 30.983 29.700 -0.002 0.000 0.948 163 E HN -0.803 7.519 8.360 -0.003 0.035 0.444 164 S N 5.874 121.578 115.700 0.007 0.000 2.579 164 S HA 0.132 4.609 4.470 0.012 0.000 0.275 164 S C 0.117 174.726 174.600 0.016 0.000 1.345 164 S CA -1.701 56.506 58.200 0.011 0.000 1.031 164 S CB 0.586 63.793 63.200 0.012 0.000 0.892 164 S HN -0.010 8.304 8.310 0.006 0.000 0.529 165 P HA -0.169 4.271 4.420 0.033 0.000 0.218 165 P C 1.372 178.693 177.300 0.035 0.000 1.148 165 P CA 2.421 65.542 63.100 0.035 0.000 0.822 165 P CB 0.040 31.771 31.700 0.051 0.000 0.784 166 E N -1.454 118.764 120.200 0.029 0.000 2.077 166 E HA -0.225 4.143 4.350 0.030 0.000 0.193 166 E C 2.540 179.152 176.600 0.020 0.000 0.989 166 E CA 3.847 60.263 56.400 0.025 0.000 0.800 166 E CB -0.718 28.995 29.700 0.020 0.000 0.746 166 E HN 0.424 8.789 8.360 0.026 0.011 0.452 167 S N 0.087 115.796 115.700 0.016 0.000 2.368 167 S HA -0.268 4.209 4.470 0.011 0.000 0.224 167 S C 2.014 176.621 174.600 0.012 0.000 1.029 167 S CA 3.113 61.320 58.200 0.012 0.000 0.988 167 S CB -0.224 62.981 63.200 0.008 0.000 0.838 167 S HN -0.564 7.756 8.310 0.015 0.000 0.462 168 I N 2.450 123.028 120.570 0.013 0.000 2.163 168 I HA -0.510 3.664 4.170 0.006 0.000 0.243 168 I C 1.385 177.514 176.117 0.020 0.000 1.085 168 I CA 4.348 65.655 61.300 0.012 0.000 1.347 168 I CB -0.338 37.668 38.000 0.010 0.000 1.044 168 I HN -0.182 8.037 8.210 0.014 0.000 0.408 169 R N -0.794 119.725 120.500 0.031 0.000 2.091 169 R HA -0.433 3.934 4.340 0.045 0.000 0.238 169 R C 2.019 178.334 176.300 0.024 0.000 1.136 169 R CA 3.965 60.087 56.100 0.037 0.000 0.959 169 R CB -0.327 29.999 30.300 0.044 0.000 0.856 169 R HN -0.167 8.123 8.270 0.033 0.000 0.437 170 R N -1.871 118.639 120.500 0.018 0.000 2.070 170 R HA -0.271 4.076 4.340 0.012 0.000 0.233 170 R C 2.709 179.014 176.300 0.008 0.000 1.137 170 R CA 3.621 59.729 56.100 0.012 0.000 0.945 170 R CB -0.260 30.046 30.300 0.010 0.000 0.845 170 R HN -0.276 8.004 8.270 0.018 0.000 0.430 171 R N -1.639 118.865 120.500 0.007 0.000 2.096 171 R HA -0.260 4.081 4.340 0.002 0.000 0.235 171 R C 2.469 178.770 176.300 0.001 0.000 1.127 171 R CA 3.368 59.470 56.100 0.003 0.000 0.968 171 R CB -0.163 30.137 30.300 0.001 0.000 0.861 171 R HN -0.383 7.892 8.270 0.008 0.000 0.440 172 V N -0.153 119.764 119.914 0.005 0.000 2.295 172 V HA -0.474 3.645 4.120 -0.002 0.000 0.246 172 V C 1.486 177.581 176.094 0.001 0.000 1.049 172 V CA 4.232 66.534 62.300 0.003 0.000 1.024 172 V CB -0.474 31.357 31.823 0.013 0.000 0.648 172 V HN 0.027 8.223 8.190 0.009 0.000 0.447 173 E N 0.170 120.373 120.200 0.006 0.000 2.058 173 E HA -0.471 3.880 4.350 0.001 0.000 0.194 173 E C 2.249 178.848 176.600 -0.002 0.000 0.997 173 E CA 3.802 60.203 56.400 0.003 0.000 0.801 173 E CB -0.200 29.504 29.700 0.007 0.000 0.746 173 E HN 0.004 8.370 8.360 0.010 0.000 0.450 174 E N -1.328 118.871 120.200 -0.001 0.000 2.072 174 E HA -0.351 3.997 4.350 -0.003 0.000 0.191 174 E C 2.202 178.799 176.600 -0.006 0.000 0.985 174 E CA 2.871 59.269 56.400 -0.003 0.000 0.801 174 E CB -0.130 29.569 29.700 -0.002 0.000 0.750 174 E HN -0.211 8.150 8.360 0.001 0.000 0.452 175 K N -0.277 120.119 120.400 -0.007 0.000 2.062 175 K HA -0.262 4.052 4.320 -0.010 0.000 0.205 175 K C 1.998 178.589 176.600 -0.014 0.000 1.051 175 K CA 3.170 59.451 56.287 -0.010 0.000 0.941 175 K CB -0.005 32.488 32.500 -0.011 0.000 0.719 175 K HN -0.489 7.757 8.250 -0.006 0.000 0.440 176 A N -1.422 121.388 122.820 -0.016 0.000 1.902 176 A HA -0.359 3.944 4.320 -0.027 0.000 0.217 176 A C 1.784 179.356 177.584 -0.020 0.000 1.181 176 A CA 3.302 55.326 52.037 -0.023 0.000 0.623 176 A CB -0.585 18.400 19.000 -0.025 0.000 0.818 176 A HN 0.024 8.166 8.150 -0.013 0.000 0.443 177 R N -1.231 119.260 120.500 -0.014 0.000 2.073 177 R HA -0.265 4.066 4.340 -0.014 0.000 0.229 177 R C 2.697 178.990 176.300 -0.012 0.000 1.120 177 R CA 3.097 59.190 56.100 -0.012 0.000 0.967 177 R CB 0.076 30.371 30.300 -0.008 0.000 0.862 177 R HN -0.369 7.894 8.270 -0.012 0.000 0.436 178 L N -0.761 120.456 121.223 -0.011 0.000 2.141 178 L HA -0.240 4.095 4.340 -0.009 0.000 0.209 178 L C 1.879 178.743 176.870 -0.012 0.000 1.094 178 L CA 2.709 57.543 54.840 -0.010 0.000 0.763 178 L CB 0.166 42.219 42.059 -0.008 0.000 0.908 178 L HN -0.178 8.046 8.230 -0.010 0.000 0.437 179 E N -4.286 115.905 120.200 -0.015 0.000 2.501 179 E HA 0.120 4.461 4.350 -0.014 0.000 0.201 179 E C -1.088 175.500 176.600 -0.020 0.000 1.016 179 E CA -0.855 55.535 56.400 -0.016 0.000 0.920 179 E CB 0.478 30.168 29.700 -0.018 0.000 1.023 179 E HN -0.450 7.877 8.360 -0.016 0.023 0.474 180 A N -1.488 121.320 122.820 -0.020 0.000 2.745 180 A HA -0.449 3.882 4.320 -0.023 -0.025 0.296 180 A C -1.167 176.398 177.584 -0.032 0.000 1.500 180 A CA 0.777 52.800 52.037 -0.023 0.000 0.766 180 A CB -1.441 17.547 19.000 -0.019 0.000 1.030 180 A HN -0.498 7.587 8.150 -0.018 0.055 0.489 181 R N -2.627 117.850 120.500 -0.038 0.000 2.389 181 R HA 0.114 4.724 4.340 -0.055 -0.303 0.295 181 R C -0.414 175.845 176.300 -0.069 0.000 1.075 181 R CA -0.933 55.134 56.100 -0.054 0.000 1.005 181 R CB 0.169 30.437 30.300 -0.054 0.000 0.987 181 R HN -0.573 7.677 8.270 -0.034 0.000 0.452 182 D N -3.412 116.932 120.400 -0.093 0.000 2.500 182 D HA 0.004 4.585 4.640 -0.098 0.000 0.217 182 D C -1.008 175.175 176.300 -0.195 0.000 1.159 182 D CA -0.792 53.140 54.000 -0.113 0.000 0.828 182 D CB 2.091 42.840 40.800 -0.084 0.000 1.039 182 D HN 0.389 8.701 8.370 -0.096 0.000 0.512 183 L N 1.272 122.351 121.223 -0.240 0.000 2.491 183 L HA 0.581 4.915 4.340 -0.508 -0.299 0.267 183 L C -2.958 173.715 176.870 -0.329 0.000 0.971 183 L CA 0.029 54.619 54.840 -0.416 0.000 0.857 183 L CB 2.776 44.516 42.059 -0.531 0.000 1.226 183 L HN -0.895 7.220 8.230 -0.192 0.000 0.408 184 I N 6.370 126.752 120.570 -0.313 0.000 2.355 184 I HA 0.416 4.680 4.170 -0.132 -0.173 0.288 184 I C -1.813 174.225 176.117 -0.133 0.000 0.999 184 I CA -1.021 60.181 61.300 -0.162 0.000 1.163 184 I CB 1.775 39.728 38.000 -0.079 0.000 1.316 184 I HN 0.917 8.906 8.210 -0.368 0.000 0.454 185 L N 8.138 129.317 121.223 -0.074 0.000 2.294 185 L HA 0.497 5.021 4.340 0.073 -0.141 0.283 185 L C -1.385 175.508 176.870 0.039 0.000 1.015 185 L CA -1.095 53.752 54.840 0.011 0.000 0.831 185 L CB 1.401 43.456 42.059 -0.006 0.000 1.217 185 L HN 0.732 8.918 8.230 -0.072 0.000 0.420 186 V N 5.393 125.359 119.914 0.086 0.000 2.318 186 V HA 0.165 4.399 4.120 -0.041 -0.139 0.271 186 V C -1.567 174.486 176.094 -0.069 0.000 1.030 186 V CA -1.100 61.185 62.300 -0.025 0.000 0.844 186 V CB 0.519 32.273 31.823 -0.115 0.000 1.015 186 V HN 0.773 9.070 8.190 0.177 0.000 0.460 187 D N 9.319 129.680 120.400 -0.066 0.000 2.393 187 D HA 0.222 4.839 4.640 -0.039 0.000 0.232 187 D C -0.229 176.010 176.300 -0.101 0.000 1.192 187 D CA -1.478 52.487 54.000 -0.058 0.000 0.882 187 D CB 1.353 42.134 40.800 -0.033 0.000 1.038 187 D HN 0.425 8.761 8.370 -0.056 0.000 0.499 188 T N 2.546 117.025 114.554 -0.124 0.000 2.816 188 T HA 0.181 4.428 4.350 -0.171 0.000 0.282 188 T C -0.885 173.786 174.700 -0.049 0.000 0.993 188 T CA -1.519 60.500 62.100 -0.136 0.000 0.994 188 T CB 1.959 70.727 68.868 -0.167 0.000 1.025 188 T HN -0.247 7.929 8.240 -0.106 0.000 0.529 189 A N 0.121 122.926 122.820 -0.025 0.000 2.520 189 A HA -0.179 4.139 4.320 -0.003 0.000 0.245 189 A C -0.152 177.459 177.584 0.046 0.000 1.072 189 A CA 1.037 53.079 52.037 0.007 0.000 0.761 189 A CB 0.001 19.007 19.000 0.010 0.000 1.004 189 A HN 0.341 8.470 8.150 -0.036 0.000 0.499 190 G N 1.289 110.112 108.800 0.038 0.000 2.415 190 G HA2 0.219 4.206 3.960 0.044 0.000 0.327 190 G HA3 0.219 4.360 3.960 0.098 -0.122 0.327 190 G C -2.005 172.926 174.900 0.051 0.000 1.182 190 G CA -0.572 44.564 45.100 0.060 0.000 0.924 190 G HN 0.204 8.508 8.290 0.022 0.000 0.470 191 R N 0.274 120.815 120.500 0.067 0.000 2.888 191 R HA 0.322 4.682 4.340 0.033 0.000 0.264 191 R C 0.863 177.192 176.300 0.048 0.000 1.045 191 R CA -2.605 53.522 56.100 0.045 0.000 0.962 191 R CB 2.666 32.988 30.300 0.036 0.000 1.210 191 R HN 0.007 8.335 8.270 0.096 0.000 0.479 192 L N -0.275 120.967 121.223 0.032 0.000 2.291 192 L HA -0.131 4.228 4.340 0.032 0.000 0.214 192 L C 0.314 177.204 176.870 0.033 0.000 1.120 192 L CA 1.966 56.823 54.840 0.029 0.000 0.799 192 L CB 0.176 42.246 42.059 0.018 0.000 0.925 192 L HN 0.522 8.767 8.230 0.025 0.000 0.446 193 Q N -2.232 117.586 119.800 0.029 0.000 2.484 193 Q HA 0.116 4.474 4.340 0.030 0.000 0.285 193 Q C -1.409 174.600 176.000 0.014 0.000 1.097 193 Q CA -1.709 54.108 55.803 0.023 0.000 0.802 193 Q CB 1.755 30.497 28.738 0.008 0.000 1.444 193 Q HN -0.574 7.690 8.270 0.025 0.022 0.429 194 I N -0.379 120.185 120.570 -0.010 0.000 2.752 194 I HA -0.185 3.929 4.170 -0.093 0.000 0.289 194 I C -0.725 175.355 176.117 -0.061 0.000 1.197 194 I CA -0.156 61.101 61.300 -0.072 0.000 1.432 194 I CB 0.019 37.949 38.000 -0.117 0.000 1.359 194 I HN 0.043 8.249 8.210 -0.006 0.000 0.571 195 D N 8.792 129.149 120.400 -0.071 0.000 2.454 195 D HA 0.122 4.740 4.640 -0.037 0.000 0.247 195 D C -0.409 175.852 176.300 -0.066 0.000 1.129 195 D CA -1.106 52.866 54.000 -0.047 0.000 0.877 195 D CB 1.374 42.162 40.800 -0.021 0.000 1.082 195 D HN -0.099 8.212 8.370 -0.099 0.000 0.537 196 E N 6.820 126.984 120.200 -0.059 0.000 2.106 196 E HA -0.065 4.233 4.350 -0.087 0.000 0.192 196 E C -0.940 175.634 176.600 -0.044 0.000 0.984 196 E CA 3.978 60.340 56.400 -0.063 0.000 0.806 196 E CB -1.570 28.099 29.700 -0.051 0.000 0.750 196 E HN 0.545 8.875 8.360 -0.049 0.000 0.458 197 P HA -0.239 4.171 4.420 -0.016 0.000 0.216 197 P C 1.280 178.571 177.300 -0.015 0.000 1.150 197 P CA 2.902 65.991 63.100 -0.018 0.000 0.837 197 P CB -0.317 31.375 31.700 -0.013 0.000 0.786 198 L N -3.626 117.586 121.223 -0.018 0.000 2.240 198 L HA -0.142 4.199 4.340 0.001 0.000 0.211 198 L C 2.106 178.971 176.870 -0.008 0.000 1.106 198 L CA 2.247 57.083 54.840 -0.006 0.000 0.793 198 L CB -0.140 41.920 42.059 0.002 0.000 0.927 198 L HN 0.059 8.478 8.230 -0.024 -0.203 0.446 199 M N -0.860 118.712 119.600 -0.047 0.000 2.086 199 M HA -0.311 4.127 4.480 -0.069 0.000 0.261 199 M C 2.527 178.818 176.300 -0.015 0.000 1.067 199 M CA 2.542 57.800 55.300 -0.069 0.000 1.116 199 M CB -1.477 31.040 32.600 -0.140 0.000 1.348 199 M HN 0.289 8.357 8.290 -0.063 0.184 0.407 200 G N -1.476 107.316 108.800 -0.014 0.000 2.446 200 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.217 200 G HA3 -0.396 3.567 3.960 0.005 0.000 0.217 200 G C 1.303 176.218 174.900 0.024 0.000 1.168 200 G CA 2.151 47.254 45.100 0.004 0.000 0.771 200 G HN 0.088 8.289 8.290 -0.024 0.075 0.551 201 E N 2.228 122.441 120.200 0.023 0.000 2.110 201 E HA -0.320 4.049 4.350 0.032 0.000 0.193 201 E C 2.380 179.016 176.600 0.059 0.000 0.988 201 E CA 2.543 58.963 56.400 0.033 0.000 0.804 201 E CB -0.134 29.578 29.700 0.020 0.000 0.745 201 E HN -0.036 8.260 8.360 0.013 0.072 0.458 202 L N -0.216 121.051 121.223 0.073 0.000 2.056 202 L HA -0.278 4.132 4.340 0.118 0.000 0.207 202 L C 1.396 178.379 176.870 0.189 0.000 1.078 202 L CA 3.016 57.935 54.840 0.132 0.000 0.749 202 L CB -0.613 41.542 42.059 0.160 0.000 0.901 202 L HN 0.328 8.405 8.230 0.058 0.187 0.433 203 A N -1.262 121.634 122.820 0.127 0.000 1.902 203 A HA -0.363 4.036 4.320 0.130 0.000 0.217 203 A C 1.711 179.358 177.584 0.105 0.000 1.181 203 A CA 3.325 55.428 52.037 0.111 0.000 0.623 203 A CB -0.864 18.173 19.000 0.062 0.000 0.818 203 A HN -0.023 8.183 8.150 0.093 0.000 0.443 204 R N -0.803 119.749 120.500 0.088 0.000 2.075 204 R HA -0.214 4.165 4.340 0.065 0.000 0.232 204 R C 2.096 178.463 176.300 0.111 0.000 1.126 204 R CA 1.931 58.078 56.100 0.077 0.000 0.963 204 R CB -0.501 29.831 30.300 0.054 0.000 0.858 204 R HN -0.536 7.780 8.270 0.077 0.000 0.435 205 L N -0.788 120.524 121.223 0.148 0.000 2.046 205 L HA -0.355 4.078 4.340 0.155 0.000 0.208 205 L C 1.169 178.247 176.870 0.346 0.000 1.077 205 L CA 3.565 58.529 54.840 0.207 0.000 0.747 205 L CB -0.284 41.870 42.059 0.158 0.000 0.896 205 L HN 0.027 8.340 8.230 0.138 0.000 0.432 206 K N -1.104 119.514 120.400 0.362 0.000 2.057 206 K HA -0.461 3.864 4.320 0.009 0.000 0.207 206 K C 2.093 178.716 176.600 0.040 0.000 1.049 206 K CA 3.689 60.057 56.287 0.135 0.000 0.931 206 K CB -0.398 32.135 32.500 0.054 0.000 0.714 206 K HN -0.231 8.231 8.250 0.354 0.000 0.440 207 E N -1.732 118.508 120.200 0.065 0.000 2.118 207 E HA -0.292 4.069 4.350 0.019 0.000 0.195 207 E C 2.005 178.631 176.600 0.042 0.000 0.992 207 E CA 2.727 59.150 56.400 0.039 0.000 0.804 207 E CB 0.002 29.727 29.700 0.041 0.000 0.741 207 E HN -0.466 7.870 8.360 0.087 0.076 0.458 208 V N -2.477 117.479 119.914 0.071 0.000 2.500 208 V HA -0.170 3.979 4.120 0.049 0.000 0.243 208 V C 1.540 177.679 176.094 0.075 0.000 1.039 208 V CA 3.037 65.377 62.300 0.067 0.000 1.053 208 V CB 0.554 32.419 31.823 0.071 0.000 0.695 208 V HN -0.511 7.721 8.190 0.094 0.014 0.463 209 L N -3.505 117.790 121.223 0.120 0.000 2.446 209 L HA -0.030 4.373 4.340 0.104 0.000 0.219 209 L C 0.253 177.154 176.870 0.052 0.000 1.116 209 L CA 0.252 55.170 54.840 0.129 0.000 0.844 209 L CB 0.439 42.666 42.059 0.280 0.000 0.970 209 L HN -0.061 8.265 8.230 0.161 0.000 0.457 210 G N -0.793 107.999 108.800 -0.014 0.000 2.359 210 G HA2 -0.243 3.701 3.960 -0.027 0.000 0.298 210 G HA3 -0.243 3.733 3.960 -0.082 -0.065 0.298 210 G C -2.066 172.776 174.900 -0.097 0.000 1.030 210 G CA -0.284 44.779 45.100 -0.061 0.000 1.149 210 G HN -0.441 7.841 8.290 -0.013 0.000 0.512 211 P HA 0.002 4.487 4.420 -0.055 -0.099 0.268 211 P C -1.084 176.163 177.300 -0.088 0.000 1.205 211 P CA -0.279 62.701 63.100 -0.201 0.000 0.771 211 P CB 0.811 32.138 31.700 -0.623 0.000 0.858 212 D N -1.126 119.309 120.400 0.058 0.000 2.349 212 D HA -0.141 4.503 4.640 0.006 0.000 0.215 212 D C -0.104 176.194 176.300 -0.003 0.000 1.016 212 D CA 0.631 54.665 54.000 0.057 0.000 0.870 212 D CB 0.658 41.531 40.800 0.121 0.000 0.917 212 D HN 0.291 8.748 8.370 0.145 0.000 0.524 213 E N -2.867 117.314 120.200 -0.032 0.000 2.366 213 E HA 0.400 4.666 4.350 -0.141 0.000 0.278 213 E C -2.362 174.193 176.600 -0.076 0.000 0.923 213 E CA -1.409 54.881 56.400 -0.183 0.000 0.761 213 E CB 4.724 34.034 29.700 -0.651 0.000 1.231 213 E HN -0.831 7.585 8.360 0.094 0.000 0.443 214 V N 2.571 122.454 119.914 -0.052 0.000 2.380 214 V HA 0.233 4.563 4.120 0.112 -0.143 0.286 214 V C -1.395 174.712 176.094 0.022 0.000 1.015 214 V CA -0.684 61.633 62.300 0.028 0.000 0.834 214 V CB 0.953 32.783 31.823 0.011 0.000 1.009 214 V HN 0.345 8.498 8.190 -0.062 0.000 0.428 215 L N 7.260 128.518 121.223 0.059 0.000 2.257 215 L HA 0.527 5.084 4.340 0.013 -0.209 0.290 215 L C -1.501 175.356 176.870 -0.022 0.000 1.044 215 L CA -1.333 53.531 54.840 0.039 0.000 0.810 215 L CB 1.070 43.198 42.059 0.116 0.000 1.193 215 L HN 0.778 9.077 8.230 0.115 0.000 0.425 216 L N 6.811 127.984 121.223 -0.084 0.000 2.265 216 L HA 0.459 4.822 4.340 -0.257 -0.177 0.288 216 L C -1.752 175.044 176.870 -0.124 0.000 1.058 216 L CA -1.334 53.401 54.840 -0.174 0.000 0.809 216 L CB 1.646 43.597 42.059 -0.181 0.000 1.179 216 L HN 0.294 8.476 8.230 -0.081 0.000 0.429 217 V N 8.581 128.412 119.914 -0.137 0.000 2.383 217 V HA 0.363 4.633 4.120 -0.052 -0.181 0.275 217 V C -0.966 175.076 176.094 -0.086 0.000 1.036 217 V CA -0.439 61.813 62.300 -0.081 0.000 0.889 217 V CB 0.367 32.156 31.823 -0.058 0.000 0.985 217 V HN 0.373 8.450 8.190 -0.188 0.000 0.459 218 L N 7.188 128.375 121.223 -0.060 0.000 2.365 218 L HA 0.310 4.626 4.340 -0.040 0.000 0.273 218 L C -1.833 175.018 176.870 -0.031 0.000 1.000 218 L CA -1.665 53.148 54.840 -0.045 0.000 0.819 218 L CB 3.645 45.677 42.059 -0.045 0.000 1.284 218 L HN 0.388 8.585 8.230 -0.055 0.000 0.418 219 D N 2.388 122.775 120.400 -0.022 0.000 2.338 219 D HA 0.130 4.758 4.640 -0.019 0.000 0.255 219 D C 1.120 177.405 176.300 -0.026 0.000 1.237 219 D CA -0.493 53.495 54.000 -0.020 0.000 0.883 219 D CB 0.379 41.170 40.800 -0.016 0.000 1.087 219 D HN 0.362 8.722 8.370 -0.018 0.000 0.485 220 A N 8.450 131.252 122.820 -0.030 0.000 2.024 220 A HA -0.325 3.981 4.320 -0.023 0.000 0.220 220 A C 1.085 178.631 177.584 -0.064 0.000 1.164 220 A CA 2.918 54.933 52.037 -0.036 0.000 0.643 220 A CB 0.007 18.988 19.000 -0.031 0.000 0.806 220 A HN 0.554 8.688 8.150 -0.026 0.000 0.451 221 M N -6.520 113.039 119.600 -0.069 0.000 2.460 221 M HA -0.199 4.215 4.480 -0.110 0.000 0.263 221 M C 0.543 176.813 176.300 -0.051 0.000 1.071 221 M CA 1.773 57.027 55.300 -0.077 0.000 1.096 221 M CB 0.126 32.687 32.600 -0.065 0.000 1.408 221 M HN -0.446 8.038 8.290 -0.058 -0.228 0.463 222 T N -1.889 112.646 114.554 -0.033 0.000 2.910 222 T HA 0.023 4.362 4.350 -0.018 0.000 0.293 222 T C 0.018 174.710 174.700 -0.013 0.000 1.015 222 T CA -0.840 61.249 62.100 -0.018 0.000 1.094 222 T CB 1.532 70.396 68.868 -0.007 0.000 0.968 222 T HN -0.525 7.493 8.240 -0.031 0.203 0.521 223 G N 1.465 110.260 108.800 -0.008 0.000 2.580 223 G HA2 -0.033 3.940 3.960 -0.003 0.000 0.225 223 G HA3 -0.033 3.925 3.960 -0.003 0.000 0.225 223 G C 0.416 175.319 174.900 0.004 0.000 1.521 223 G CA -1.022 44.076 45.100 -0.003 0.000 1.068 223 G HN -0.078 8.288 8.290 -0.007 -0.081 0.564 224 Q N -1.208 118.596 119.800 0.006 0.000 2.488 224 Q HA -0.295 4.052 4.340 0.012 0.000 0.211 224 Q C 1.734 177.742 176.000 0.014 0.000 0.967 224 Q CA 2.696 58.505 55.803 0.010 0.000 0.926 224 Q CB -0.571 28.172 28.738 0.009 0.000 0.992 224 Q HN 0.368 8.641 8.270 0.005 0.000 0.506 225 E N -1.230 118.978 120.200 0.013 0.000 2.204 225 E HA -0.176 4.185 4.350 0.019 0.000 0.195 225 E C 1.466 178.082 176.600 0.027 0.000 0.990 225 E CA 2.753 59.164 56.400 0.018 0.000 0.821 225 E CB -0.967 28.743 29.700 0.016 0.000 0.750 225 E HN 0.276 8.610 8.360 0.010 0.032 0.477 226 A N -0.435 122.398 122.820 0.022 0.000 1.948 226 A HA -0.260 4.079 4.320 0.033 0.000 0.220 226 A C 2.210 179.812 177.584 0.030 0.000 1.177 226 A CA 2.963 55.015 52.037 0.024 0.000 0.636 226 A CB -0.848 18.157 19.000 0.009 0.000 0.815 226 A HN -0.037 8.116 8.150 0.015 0.006 0.449 227 L N -3.420 117.818 121.223 0.025 0.000 2.109 227 L HA -0.402 3.953 4.340 0.024 0.000 0.207 227 L C 2.163 179.054 176.870 0.034 0.000 1.086 227 L CA 2.407 57.263 54.840 0.026 0.000 0.760 227 L CB -0.590 41.483 42.059 0.023 0.000 0.910 227 L HN -0.330 7.664 8.230 0.021 0.248 0.437 228 S N 1.004 116.723 115.700 0.032 0.000 2.359 228 S HA -0.396 4.089 4.470 0.025 0.000 0.224 228 S C 2.072 176.702 174.600 0.051 0.000 1.035 228 S CA 3.514 61.733 58.200 0.031 0.000 1.018 228 S CB -0.265 62.947 63.200 0.022 0.000 0.876 228 S HN -0.612 7.639 8.310 0.028 0.075 0.448 229 V N 1.633 121.593 119.914 0.077 0.000 2.287 229 V HA -0.498 3.705 4.120 0.138 0.000 0.248 229 V C 1.271 177.498 176.094 0.222 0.000 1.053 229 V CA 4.063 66.456 62.300 0.155 0.000 1.027 229 V CB -0.723 31.205 31.823 0.175 0.000 0.646 229 V HN -0.010 8.220 8.190 0.067 0.000 0.447 230 A N -1.693 121.209 122.820 0.137 0.000 1.908 230 A HA -0.354 4.059 4.320 0.155 0.000 0.218 230 A C 1.924 179.576 177.584 0.113 0.000 1.181 230 A CA 3.194 55.302 52.037 0.119 0.000 0.627 230 A CB -0.845 18.180 19.000 0.043 0.000 0.818 230 A HN -0.231 7.906 8.150 0.094 0.069 0.445 231 R N -1.096 119.447 120.500 0.071 0.000 2.094 231 R HA -0.491 3.868 4.340 0.033 0.000 0.239 231 R C 1.790 178.113 176.300 0.038 0.000 1.137 231 R CA 3.649 59.774 56.100 0.042 0.000 0.943 231 R CB -0.003 30.312 30.300 0.025 0.000 0.850 231 R HN -0.163 8.032 8.270 0.061 0.112 0.433 232 A N -1.808 121.029 122.820 0.028 0.000 1.873 232 A HA -0.236 4.051 4.320 -0.055 0.000 0.215 232 A C 2.112 179.651 177.584 -0.075 0.000 1.186 232 A CA 2.925 54.929 52.037 -0.054 0.000 0.616 232 A CB -0.478 18.448 19.000 -0.124 0.000 0.823 232 A HN -0.219 7.956 8.150 0.041 0.000 0.442 233 F N -2.087 117.868 119.950 0.007 0.000 2.134 233 F HA -0.285 4.255 4.527 0.022 0.000 0.299 233 F C 2.344 178.151 175.800 0.011 0.000 1.097 233 F CA 3.817 61.827 58.000 0.015 0.000 1.264 233 F CB -0.175 38.837 39.000 0.020 0.000 1.001 233 F HN -0.142 8.304 8.300 0.244 0.000 0.479 234 D N -1.227 119.280 120.400 0.178 0.000 2.144 234 D HA -0.314 4.466 4.640 0.097 -0.082 0.200 234 D C 2.317 178.648 176.300 0.052 0.000 0.978 234 D CA 3.447 57.502 54.000 0.092 0.000 0.833 234 D CB -0.018 40.812 40.800 0.050 0.000 0.961 234 D HN -0.281 8.195 8.370 0.176 0.000 0.470 235 E N -2.164 118.056 120.200 0.034 0.000 2.208 235 E HA -0.211 4.144 4.350 0.008 0.000 0.193 235 E C 1.270 177.871 176.600 0.003 0.000 0.988 235 E CA 1.922 58.327 56.400 0.009 0.000 0.828 235 E CB 0.171 29.868 29.700 -0.004 0.000 0.763 235 E HN -0.188 8.194 8.360 0.037 0.000 0.478 236 K N -5.016 115.385 120.400 0.000 0.000 2.370 236 K HA 0.158 4.471 4.320 -0.012 0.000 0.194 236 K C 0.469 177.084 176.600 0.025 0.000 1.070 236 K CA 0.309 56.588 56.287 -0.013 0.000 0.998 236 K CB 1.243 33.699 32.500 -0.074 0.000 0.911 236 K HN -0.389 7.735 8.250 0.007 0.131 0.533 237 V N -4.738 115.219 119.914 0.072 0.000 3.054 237 V HA 0.092 4.271 4.120 0.098 0.000 0.227 237 V C -1.432 174.712 176.094 0.083 0.000 1.252 237 V CA 0.033 62.402 62.300 0.115 0.000 1.279 237 V CB 2.973 34.932 31.823 0.227 0.000 1.118 237 V HN -0.132 8.109 8.190 0.086 0.000 0.504 238 G N -1.217 107.635 108.800 0.088 0.000 2.551 238 G HA2 -0.246 3.727 3.960 0.021 0.000 0.604 238 G HA3 -0.246 3.992 3.960 0.035 -0.257 0.604 238 G C -1.124 173.795 174.900 0.031 0.000 1.116 238 G CA -0.381 44.744 45.100 0.042 0.000 1.285 238 G HN -0.601 7.760 8.290 0.119 0.000 0.586 239 V N 5.764 125.697 119.914 0.032 0.000 2.530 239 V HA 0.117 4.349 4.120 0.005 -0.108 0.282 239 V C 0.605 176.673 176.094 -0.043 0.000 1.048 239 V CA -0.609 61.691 62.300 -0.000 0.000 0.997 239 V CB 0.668 32.490 31.823 -0.003 0.000 0.987 239 V HN -0.223 8.207 8.190 0.040 -0.216 0.477 240 T N 3.033 117.550 114.554 -0.061 0.000 3.015 240 T HA 0.074 4.375 4.350 -0.081 0.000 0.250 240 T C 0.034 174.624 174.700 -0.183 0.000 1.057 240 T CA 0.011 62.061 62.100 -0.083 0.000 1.066 240 T CB 1.152 69.992 68.868 -0.046 0.000 0.959 240 T HN 0.637 8.846 8.240 -0.052 0.000 0.488 241 G N 0.099 108.764 108.800 -0.225 0.000 2.601 241 G HA2 0.441 3.892 3.960 -0.847 0.000 0.291 241 G HA3 0.441 4.162 3.960 -0.591 -0.116 0.291 241 G C -3.408 171.319 174.900 -0.288 0.000 1.456 241 G CA 0.462 45.255 45.100 -0.511 0.000 0.804 241 G HN -0.809 7.394 8.290 -0.146 0.000 0.499 242 L N -1.587 119.440 121.223 -0.326 0.000 2.333 242 L HA 0.883 5.337 4.340 -0.127 -0.190 0.269 242 L C -1.383 175.442 176.870 -0.075 0.000 1.010 242 L CA -1.612 53.124 54.840 -0.174 0.000 0.818 242 L CB 3.817 45.755 42.059 -0.201 0.000 1.306 242 L HN 0.429 8.377 8.230 -0.471 0.000 0.430 243 V N 0.432 120.337 119.914 -0.015 0.000 2.487 243 V HA 0.572 5.140 4.120 0.085 -0.397 0.298 243 V C -1.407 174.671 176.094 -0.026 0.000 1.028 243 V CA -1.616 60.714 62.300 0.050 0.000 0.860 243 V CB 2.284 34.174 31.823 0.113 0.000 0.991 243 V HN 0.382 8.552 8.190 -0.034 0.000 0.427 244 L N 8.294 129.485 121.223 -0.054 0.000 2.265 244 L HA 0.731 5.225 4.340 -0.052 -0.185 0.289 244 L C -0.294 176.577 176.870 0.002 0.000 1.033 244 L CA -1.502 53.305 54.840 -0.055 0.000 0.814 244 L CB 1.063 43.054 42.059 -0.114 0.000 1.203 244 L HN 0.153 8.343 8.230 -0.065 0.000 0.423 245 T N 1.839 116.394 114.554 0.001 0.000 2.927 245 T HA 0.386 4.831 4.350 0.031 -0.077 0.281 245 T C 0.323 175.027 174.700 0.005 0.000 0.998 245 T CA -1.994 60.114 62.100 0.014 0.000 1.019 245 T CB 2.365 71.237 68.868 0.005 0.000 1.061 245 T HN 0.630 8.864 8.240 -0.011 0.000 0.518 246 K N -2.467 117.939 120.400 0.010 0.000 3.192 246 K HA -0.366 4.118 4.320 0.000 -0.164 0.278 246 K C 1.452 178.040 176.600 -0.020 0.000 1.164 246 K CA 1.514 57.797 56.287 -0.006 0.000 0.816 246 K CB -2.788 29.700 32.500 -0.020 0.000 1.256 246 K HN 0.601 8.863 8.250 0.020 0.000 0.497 247 L N -2.880 118.352 121.223 0.015 0.000 2.362 247 L HA -0.251 4.065 4.340 -0.039 0.000 0.219 247 L C 0.320 177.189 176.870 -0.002 0.000 1.134 247 L CA 2.219 57.071 54.840 0.020 0.000 0.807 247 L CB -0.529 41.613 42.059 0.138 0.000 0.927 247 L HN -0.084 8.152 8.230 0.040 0.019 0.447 248 D N -4.048 116.358 120.400 0.010 0.000 2.348 248 D HA -0.159 4.490 4.640 0.015 0.000 0.216 248 D C 0.996 177.280 176.300 -0.028 0.000 0.970 248 D CA 0.552 54.554 54.000 0.004 0.000 0.889 248 D CB -0.468 40.342 40.800 0.018 0.000 0.912 248 D HN -0.263 8.094 8.370 0.020 0.025 0.524 249 G N -0.260 108.508 108.800 -0.054 0.000 2.634 249 G HA2 -0.142 3.777 3.960 -0.069 0.000 0.255 249 G HA3 -0.142 3.790 3.960 -0.047 0.000 0.255 249 G C -1.416 173.424 174.900 -0.099 0.000 1.205 249 G CA -0.633 44.427 45.100 -0.066 0.000 0.884 249 G HN -0.531 7.565 8.290 -0.056 0.160 0.549 250 D N -0.001 120.351 120.400 -0.081 0.000 2.359 250 D HA -0.066 4.634 4.640 -0.102 -0.121 0.230 250 D C -1.332 174.907 176.300 -0.102 0.000 1.118 250 D CA -0.276 53.672 54.000 -0.087 0.000 0.844 250 D CB 0.141 40.910 40.800 -0.051 0.000 1.059 250 D HN 0.038 8.370 8.370 -0.063 0.000 0.493 251 A N 5.019 127.749 122.820 -0.150 0.000 2.610 251 A HA 0.266 4.529 4.320 -0.095 0.000 0.291 251 A C -1.526 175.968 177.584 -0.150 0.000 1.086 251 A CA -0.645 51.309 52.037 -0.140 0.000 0.677 251 A CB 3.248 22.155 19.000 -0.155 0.000 1.278 251 A HN -0.336 7.870 8.150 -0.183 -0.165 0.414 252 R N 2.604 123.053 120.500 -0.085 0.000 2.073 252 R HA -0.318 4.010 4.340 -0.020 0.000 0.234 252 R C 1.471 177.762 176.300 -0.013 0.000 1.134 252 R CA 3.044 59.123 56.100 -0.035 0.000 0.952 252 R CB 0.487 30.781 30.300 -0.010 0.000 0.850 252 R HN 0.690 8.920 8.270 -0.067 0.000 0.433 253 G N -5.363 103.406 108.800 -0.051 0.000 2.175 253 G HA2 -0.344 3.600 3.960 -0.028 0.000 0.244 253 G HA3 -0.344 3.563 3.960 -0.089 0.000 0.244 253 G C 1.069 176.092 174.900 0.204 0.000 0.982 253 G CA 0.006 45.114 45.100 0.014 0.000 0.641 253 G HN 0.078 8.331 8.290 -0.061 0.000 0.527 254 G N 0.269 109.129 108.800 0.101 0.000 2.418 254 G HA2 -0.405 3.701 3.960 0.029 0.000 0.217 254 G HA3 -0.405 3.593 3.960 0.064 0.000 0.217 254 G C 0.414 175.340 174.900 0.043 0.000 1.158 254 G CA 1.964 47.100 45.100 0.061 0.000 0.771 254 G HN -0.126 8.200 8.290 0.061 0.000 0.545 255 A N 0.155 122.996 122.820 0.036 0.000 1.902 255 A HA -0.348 3.982 4.320 0.017 0.000 0.217 255 A C 1.258 178.864 177.584 0.036 0.000 1.181 255 A CA 2.861 54.913 52.037 0.025 0.000 0.623 255 A CB -0.796 18.213 19.000 0.014 0.000 0.818 255 A HN -0.001 8.167 8.150 0.030 0.000 0.443 256 A N -2.552 120.309 122.820 0.067 0.000 1.908 256 A HA -0.365 3.975 4.320 0.034 0.000 0.218 256 A C 2.526 180.162 177.584 0.087 0.000 1.181 256 A CA 2.597 54.686 52.037 0.087 0.000 0.627 256 A CB -0.804 18.289 19.000 0.156 0.000 0.818 256 A HN -0.035 8.158 8.150 0.073 0.000 0.445 257 L N -4.230 117.064 121.223 0.118 0.000 2.376 257 L HA -0.247 4.078 4.340 -0.025 0.000 0.219 257 L C 1.832 178.684 176.870 -0.031 0.000 1.133 257 L CA 2.233 57.071 54.840 -0.003 0.000 0.816 257 L CB -0.256 41.753 42.059 -0.084 0.000 0.933 257 L HN -0.224 8.116 8.230 0.184 0.000 0.449 258 S N -2.591 113.104 115.700 -0.009 0.000 2.558 258 S HA -0.041 4.411 4.470 -0.029 0.000 0.217 258 S C 0.405 175.028 174.600 0.038 0.000 0.975 258 S CA 1.014 59.212 58.200 -0.004 0.000 0.912 258 S CB 0.312 63.510 63.200 -0.005 0.000 0.776 258 S HN -0.392 7.763 8.310 0.011 0.162 0.526 259 A N 1.748 124.574 122.820 0.009 0.000 1.855 259 A HA -0.328 3.994 4.320 0.002 0.000 0.215 259 A C 0.986 178.558 177.584 -0.019 0.000 1.191 259 A CA 3.667 55.696 52.037 -0.012 0.000 0.613 259 A CB -0.577 18.392 19.000 -0.051 0.000 0.829 259 A HN -0.547 7.404 8.150 -0.001 0.197 0.442 260 R N -0.612 119.867 120.500 -0.034 0.000 2.096 260 R HA -0.349 4.268 4.340 -0.087 -0.330 0.229 260 R C 1.716 178.017 176.300 0.002 0.000 1.134 260 R CA 2.304 58.378 56.100 -0.044 0.000 0.917 260 R CB -1.361 28.918 30.300 -0.034 0.000 0.832 260 R HN -0.184 8.061 8.270 -0.042 0.000 0.430 261 H N 0.148 119.197 119.070 -0.034 0.000 2.330 261 H HA -0.332 4.215 4.556 -0.015 0.000 0.290 261 H C 2.023 177.339 175.328 -0.021 0.000 1.111 261 H CA 3.556 59.593 56.048 -0.017 0.000 1.226 261 H CB 0.049 29.813 29.762 0.003 0.000 1.355 261 H HN 0.130 8.506 8.280 0.160 0.000 0.485 262 V N -2.970 117.009 119.914 0.109 0.000 2.273 262 V HA -0.267 3.872 4.120 0.031 0.000 0.242 262 V C 1.510 177.582 176.094 -0.037 0.000 1.035 262 V CA 3.138 65.475 62.300 0.061 0.000 1.013 262 V CB 0.157 32.054 31.823 0.124 0.000 0.652 262 V HN -0.142 8.128 8.190 0.160 0.016 0.452 263 T N -3.181 111.355 114.554 -0.029 0.000 2.897 263 T HA -0.305 4.025 4.350 -0.033 0.000 0.271 263 T C 1.405 176.060 174.700 -0.074 0.000 1.084 263 T CA 2.428 64.500 62.100 -0.046 0.000 1.123 263 T CB 0.406 69.244 68.868 -0.050 0.000 0.865 263 T HN -0.272 7.957 8.240 -0.018 0.000 0.496 264 G N 1.357 110.097 108.800 -0.100 0.000 2.184 264 G HA2 -0.367 3.530 3.960 -0.105 0.000 0.264 264 G HA3 -0.367 3.515 3.960 -0.130 0.000 0.264 264 G C -0.492 174.341 174.900 -0.112 0.000 0.975 264 G CA 0.340 45.373 45.100 -0.112 0.000 0.642 264 G HN -0.223 7.961 8.290 -0.103 0.045 0.536 265 K N 0.866 121.191 120.400 -0.125 0.000 2.138 265 K HA 0.526 4.744 4.320 -0.170 0.000 0.263 265 K C -2.334 174.131 176.600 -0.224 0.000 0.965 265 K CA -3.823 52.359 56.287 -0.174 0.000 0.868 265 K CB -0.162 32.232 32.500 -0.176 0.000 1.083 265 K HN -0.510 7.626 8.250 -0.115 0.045 0.443 266 P HA 0.121 4.403 4.420 -0.229 0.000 0.275 266 P C -1.181 175.832 177.300 -0.479 0.000 1.227 266 P CA -0.471 62.413 63.100 -0.359 0.000 0.781 266 P CB 0.806 32.255 31.700 -0.419 0.000 0.906 267 I N 0.565 120.936 120.570 -0.331 0.000 2.322 267 I HA -0.138 3.941 4.170 -0.384 -0.138 0.292 267 I C -0.108 175.876 176.117 -0.221 0.000 1.060 267 I CA 0.478 61.555 61.300 -0.373 0.000 1.309 267 I CB -0.626 36.977 38.000 -0.662 0.000 1.415 267 I HN 0.110 8.186 8.210 -0.223 0.000 0.492 268 Y N 3.857 124.026 120.300 -0.218 0.000 2.314 268 Y HA 0.086 4.551 4.550 -0.441 -0.179 0.294 268 Y C -0.091 175.394 175.900 -0.691 0.000 1.119 268 Y CA 0.477 58.288 58.100 -0.482 0.000 1.179 268 Y CB 1.228 39.333 38.460 -0.592 0.000 1.025 268 Y HN 0.049 8.204 8.280 -0.209 0.000 0.541 269 F N -4.571 115.461 119.950 0.138 0.000 2.588 269 F HA 0.660 5.552 4.527 0.103 -0.304 0.310 269 F C -2.171 173.668 175.800 0.066 0.000 1.082 269 F CA -1.720 56.335 58.000 0.090 0.000 0.929 269 F CB 5.117 44.143 39.000 0.044 0.000 1.254 269 F HN -0.822 7.567 8.300 0.149 0.000 0.455 270 A N 0.219 123.230 122.820 0.319 0.000 2.350 270 A HA 0.988 5.564 4.320 0.165 -0.158 0.324 270 A C -1.560 176.130 177.584 0.178 0.000 1.118 270 A CA -2.531 49.651 52.037 0.241 0.000 0.783 270 A CB 3.306 22.524 19.000 0.364 0.000 1.236 270 A HN 1.042 9.287 8.150 0.342 0.109 0.457 271 G N 0.191 109.063 108.800 0.121 0.000 2.347 271 G HA2 0.593 4.591 3.960 0.062 0.000 0.314 271 G HA3 0.593 4.909 3.960 0.084 -0.306 0.314 271 G C -1.183 173.767 174.900 0.082 0.000 1.126 271 G CA -0.741 44.410 45.100 0.084 0.000 0.929 271 G HN 0.620 8.972 8.290 0.105 0.000 0.441 272 V N -0.438 119.524 119.914 0.080 0.000 3.432 272 V HA 0.486 4.651 4.120 0.076 0.000 0.298 272 V C -1.698 174.428 176.094 0.052 0.000 1.464 272 V CA -1.846 60.500 62.300 0.076 0.000 1.046 272 V CB 1.209 33.089 31.823 0.094 0.000 0.887 272 V HN 0.539 8.660 8.190 0.077 0.114 0.441 273 S N -2.376 113.350 115.700 0.043 0.000 2.636 273 S HA 0.171 4.832 4.470 0.026 -0.175 0.266 273 S C 0.034 174.649 174.600 0.026 0.000 1.147 273 S CA -1.339 56.880 58.200 0.031 0.000 0.815 273 S CB 2.039 65.258 63.200 0.033 0.000 1.119 273 S HN -0.951 7.386 8.310 0.045 0.000 0.470 274 E N -0.230 119.982 120.200 0.019 0.000 2.481 274 E HA -0.077 4.282 4.350 0.015 0.000 0.195 274 E C 0.118 176.729 176.600 0.018 0.000 1.047 274 E CA 0.761 57.170 56.400 0.016 0.000 0.867 274 E CB 0.003 29.709 29.700 0.011 0.000 0.858 274 E HN 0.419 8.790 8.360 0.018 0.000 0.513 275 K N -0.592 119.821 120.400 0.022 0.000 2.258 275 K HA 0.073 4.405 4.320 0.020 0.000 0.264 275 K C -0.596 176.021 176.600 0.028 0.000 1.007 275 K CA -1.158 55.143 56.287 0.024 0.000 0.941 275 K CB -0.405 32.110 32.500 0.026 0.000 0.966 275 K HN -0.989 7.222 8.250 0.024 0.054 0.480 276 P HA -0.287 4.149 4.420 0.027 0.000 0.216 276 P C -0.112 177.214 177.300 0.043 0.000 1.150 276 P CA 2.397 65.516 63.100 0.030 0.000 0.837 276 P CB -0.009 31.707 31.700 0.027 0.000 0.786 277 E N -5.559 114.669 120.200 0.048 0.000 2.511 277 E HA -0.169 4.230 4.350 0.081 0.000 0.196 277 E C 0.778 177.421 176.600 0.072 0.000 1.066 277 E CA 0.427 56.867 56.400 0.067 0.000 0.871 277 E CB -1.892 27.843 29.700 0.058 0.000 0.863 277 E HN 0.185 8.556 8.360 0.041 0.014 0.520 278 G N 1.298 110.132 108.800 0.056 0.000 3.530 278 G HA2 0.007 4.049 3.960 0.049 0.000 0.269 278 G HA3 0.007 4.005 3.960 0.063 0.000 0.269 278 G C -2.713 172.223 174.900 0.060 0.000 1.314 278 G CA -0.288 44.846 45.100 0.057 0.000 1.441 278 G HN 0.242 8.360 8.290 0.048 0.201 0.595 279 L N 0.355 121.616 121.223 0.062 0.000 2.441 279 L HA 0.844 5.581 4.340 0.079 -0.350 0.270 279 L C -2.347 174.561 176.870 0.063 0.000 0.973 279 L CA -0.389 54.485 54.840 0.056 0.000 0.842 279 L CB 3.262 45.317 42.059 -0.006 0.000 1.239 279 L HN -0.773 7.362 8.230 0.069 0.137 0.406 280 E N 6.195 126.472 120.200 0.128 0.000 2.207 280 E HA 0.516 4.911 4.350 0.075 0.000 0.270 280 E C -2.562 174.148 176.600 0.184 0.000 0.927 280 E CA -3.504 52.975 56.400 0.131 0.000 0.799 280 E CB 1.875 31.668 29.700 0.154 0.000 1.172 280 E HN 0.926 9.275 8.360 0.160 0.107 0.404 281 P HA -0.053 4.380 4.420 -0.209 -0.139 0.265 281 P C -1.794 175.580 177.300 0.124 0.000 1.193 281 P CA 0.519 63.612 63.100 -0.012 0.000 0.765 281 P CB 0.319 32.026 31.700 0.012 0.000 0.823 282 F N 4.846 124.715 119.950 -0.135 0.000 2.438 282 F HA -0.053 4.511 4.527 0.062 0.000 0.356 282 F C -1.918 173.793 175.800 -0.148 0.000 1.099 282 F CA 0.166 58.136 58.000 -0.050 0.000 1.185 282 F CB 1.851 40.809 39.000 -0.069 0.000 1.115 282 F HN -0.091 8.111 8.300 0.012 0.105 0.526 283 Y N 6.662 126.515 120.300 -0.745 0.000 2.447 283 Y HA 0.367 4.745 4.550 -0.379 -0.056 0.325 283 Y C -1.831 173.583 175.900 -0.809 0.000 0.976 283 Y CA -2.949 54.818 58.100 -0.556 0.000 1.280 283 Y CB 0.071 38.363 38.460 -0.279 0.000 1.104 283 Y HN 0.108 8.018 8.280 -0.617 0.000 0.486 284 P HA -0.374 3.758 4.420 -0.481 0.000 0.217 284 P C 0.555 177.734 177.300 -0.202 0.000 1.151 284 P CA 2.560 65.433 63.100 -0.377 0.000 0.849 284 P CB 0.275 31.905 31.700 -0.117 0.000 0.787 285 E N -3.320 116.821 120.200 -0.100 0.000 2.106 285 E HA -0.378 3.934 4.350 -0.064 0.000 0.192 285 E C 1.852 178.484 176.600 0.052 0.000 0.984 285 E CA 3.013 59.411 56.400 -0.003 0.000 0.806 285 E CB -1.379 28.376 29.700 0.091 0.000 0.750 285 E HN 0.236 8.547 8.360 -0.064 0.011 0.458 286 R N 0.295 120.789 120.500 -0.011 0.000 2.083 286 R HA -0.319 4.022 4.340 0.001 0.000 0.237 286 R C 2.062 178.351 176.300 -0.018 0.000 1.137 286 R CA 3.255 59.341 56.100 -0.023 0.000 0.951 286 R CB -0.164 30.096 30.300 -0.066 0.000 0.851 286 R HN -0.594 7.665 8.270 -0.019 0.000 0.434 287 L N -1.513 119.662 121.223 -0.080 0.000 2.072 287 L HA -0.235 4.104 4.340 -0.002 0.000 0.205 287 L C 1.302 178.149 176.870 -0.038 0.000 1.079 287 L CA 2.707 57.521 54.840 -0.044 0.000 0.752 287 L CB -0.522 41.521 42.059 -0.028 0.000 0.906 287 L HN -0.692 7.436 8.230 -0.170 0.000 0.436 288 A N -1.506 121.297 122.820 -0.029 0.000 1.883 288 A HA -0.397 3.905 4.320 -0.030 0.000 0.217 288 A C 1.990 179.675 177.584 0.168 0.000 1.186 288 A CA 3.355 55.403 52.037 0.020 0.000 0.624 288 A CB -0.831 18.123 19.000 -0.077 0.000 0.822 288 A HN -0.031 8.087 8.150 -0.054 0.000 0.444 289 G N -2.565 106.381 108.800 0.243 0.000 2.418 289 G HA2 -0.378 3.665 3.960 0.139 0.000 0.217 289 G HA3 -0.378 3.696 3.960 0.189 0.000 0.217 289 G C 1.010 175.951 174.900 0.069 0.000 1.158 289 G CA 1.508 46.713 45.100 0.175 0.000 0.771 289 G HN 0.033 8.461 8.290 0.231 0.000 0.545 290 R N 2.310 122.841 120.500 0.052 0.000 2.075 290 R HA -0.273 4.088 4.340 0.034 0.000 0.232 290 R C 2.623 178.948 176.300 0.041 0.000 1.126 290 R CA 3.171 59.295 56.100 0.041 0.000 0.963 290 R CB -0.024 30.305 30.300 0.049 0.000 0.858 290 R HN -0.509 7.792 8.270 0.052 0.000 0.435 291 I N -0.568 120.015 120.570 0.021 0.000 2.361 291 I HA -0.357 3.831 4.170 0.029 0.000 0.251 291 I C 1.204 177.340 176.117 0.031 0.000 1.133 291 I CA 3.729 65.033 61.300 0.006 0.000 1.413 291 I CB 0.293 38.242 38.000 -0.085 0.000 1.073 291 I HN -0.220 7.993 8.210 0.005 0.000 0.424 292 L N -6.371 114.882 121.223 0.049 0.000 2.611 292 L HA -0.004 4.364 4.340 0.047 0.000 0.229 292 L C 0.173 177.059 176.870 0.026 0.000 1.137 292 L CA -0.475 54.396 54.840 0.051 0.000 0.901 292 L CB -0.129 41.984 42.059 0.090 0.000 1.098 292 L HN -0.762 7.471 8.230 0.062 0.034 0.456 293 G N -1.880 106.933 108.800 0.022 0.000 2.137 293 G HA2 -0.335 3.768 3.960 0.009 0.000 0.237 293 G HA3 -0.335 3.634 3.960 0.016 0.000 0.237 293 G C 0.067 174.962 174.900 -0.009 0.000 1.002 293 G CA 0.816 45.922 45.100 0.010 0.000 0.702 293 G HN -0.076 7.949 8.290 0.029 0.282 0.515 294 M N -1.199 118.389 119.600 -0.020 0.000 2.556 294 M HA -0.050 4.397 4.480 -0.057 0.000 0.245 294 M C -0.226 176.051 176.300 -0.038 0.000 1.128 294 M CA 0.954 56.224 55.300 -0.051 0.000 1.069 294 M CB 0.624 33.160 32.600 -0.105 0.000 1.469 294 M HN -0.042 8.243 8.290 -0.009 0.000 0.494 295 G N 0.000 108.791 108.800 -0.016 0.000 5.446 295 G HA2 0.000 nan 3.960 nan 0.000 0.244 295 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 295 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 295 G HN 0.000 8.238 8.290 -0.006 0.048 0.925