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 2k4t_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAVPPTYADL GKSARDVFTK GYGFGLIKLD LKTKSENGLE FTSSGSANTE DATA SEQUENCE TTKVTGSLET KYRWTEYGLT FTEKWNTDNT LGTEITVEDQ LARGLKLTFD DATA SEQUENCE SSFSPNTGKK NAKIKTGYKR EHINLGCDMD FDIAGPSIRG ALVLGYEGWL DATA SEQUENCE AGYQMNFETA KSRVTQSNFA VGYKTDEFQL HTNVNDGTEF GGSIYQKVNK DATA SEQUENCE KLETAVNLAW TAGNSNTRFG IAAKYQIDPD ACFSAKVNNS SLIGLGYTQT DATA SEQUENCE LKPGIKLTLS ALLDGKNVNA GGHKLGLGLE FQALE 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 4.474 4.480 -0.011 0.000 0.227 1 M C 0.000 176.289 176.300 -0.019 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 A N 2.956 125.762 122.820 -0.023 0.000 2.990 2 A HA 0.268 4.563 4.320 -0.042 0.000 0.282 2 A C -0.402 177.171 177.584 -0.019 0.000 1.688 2 A CA -0.289 51.730 52.037 -0.030 0.000 1.391 2 A CB -0.967 18.014 19.000 -0.032 0.000 1.112 2 A HN 0.249 8.387 8.150 -0.020 0.000 0.588 3 V N 2.275 122.177 119.914 -0.020 0.000 2.233 3 V HA -0.223 3.893 4.120 -0.006 0.000 0.247 3 V C -0.667 175.419 176.094 -0.014 0.000 1.050 3 V CA 2.182 64.474 62.300 -0.013 0.000 1.010 3 V CB -1.633 30.182 31.823 -0.014 0.000 0.637 3 V HN -0.115 8.025 8.190 -0.023 0.036 0.444 4 P HA 0.219 4.619 4.420 -0.034 0.000 0.273 4 P C -2.394 174.875 177.300 -0.051 0.000 1.250 4 P CA -1.194 61.879 63.100 -0.044 0.000 0.793 4 P CB -0.774 30.887 31.700 -0.065 0.000 1.011 5 P HA 0.134 4.560 4.420 0.011 0.000 0.271 5 P C -0.799 176.369 177.300 -0.221 0.000 1.218 5 P CA -0.147 62.862 63.100 -0.151 0.000 0.780 5 P CB 1.093 32.561 31.700 -0.386 0.000 0.901 6 T N 0.837 115.318 114.554 -0.122 0.000 2.969 6 T HA 0.130 4.408 4.350 -0.121 0.000 0.250 6 T C 0.868 175.534 174.700 -0.057 0.000 1.021 6 T CA 1.130 63.187 62.100 -0.073 0.000 1.003 6 T CB 0.849 69.737 68.868 0.033 0.000 1.040 6 T HN -0.195 8.062 8.240 0.028 0.000 0.492 7 Y N -0.217 120.088 120.300 0.008 0.000 2.242 7 Y HA -0.245 4.323 4.550 0.031 0.000 0.291 7 Y C 0.562 176.452 175.900 -0.018 0.000 1.137 7 Y CA 1.986 60.091 58.100 0.008 0.000 1.181 7 Y CB -1.946 36.514 38.460 0.000 0.000 0.989 7 Y HN -0.278 8.065 8.280 0.104 0.000 0.527 8 A N -2.491 119.887 122.820 -0.737 0.000 2.072 8 A HA -0.198 4.019 4.320 -0.170 0.000 0.216 8 A C 2.043 179.472 177.584 -0.259 0.000 1.156 8 A CA 1.711 53.491 52.037 -0.429 0.000 0.701 8 A CB -0.916 17.740 19.000 -0.575 0.000 0.816 8 A HN -0.096 7.156 8.150 -1.497 0.000 0.458 9 D N -1.039 119.201 120.400 -0.267 0.000 2.269 9 D HA -0.167 4.363 4.640 -0.183 0.000 0.208 9 D C 1.340 177.538 176.300 -0.170 0.000 0.963 9 D CA 1.737 55.618 54.000 -0.198 0.000 0.864 9 D CB -0.195 40.486 40.800 -0.199 0.000 0.936 9 D HN 0.099 8.127 8.370 -0.336 0.140 0.505 10 L N -3.573 117.577 121.223 -0.121 0.000 2.129 10 L HA -0.289 3.976 4.340 -0.125 0.000 0.212 10 L C 0.402 177.224 176.870 -0.080 0.000 1.087 10 L CA 1.763 56.556 54.840 -0.077 0.000 0.757 10 L CB 0.182 42.242 42.059 0.002 0.000 0.896 10 L HN -0.748 7.379 8.230 -0.106 0.039 0.434 11 G N -4.207 104.545 108.800 -0.080 0.000 2.752 11 G HA2 0.134 4.061 3.960 -0.056 0.000 0.298 11 G HA3 0.134 4.072 3.960 -0.038 0.000 0.298 11 G C -2.875 171.992 174.900 -0.055 0.000 1.434 11 G CA -0.317 44.749 45.100 -0.056 0.000 1.004 11 G HN -0.797 7.413 8.290 -0.092 0.025 0.560 12 K N 0.704 121.076 120.400 -0.045 0.000 2.578 12 K HA 0.277 4.578 4.320 -0.031 0.000 0.269 12 K C -1.433 175.151 176.600 -0.027 0.000 0.941 12 K CA -0.465 55.798 56.287 -0.040 0.000 0.847 12 K CB 2.038 34.503 32.500 -0.059 0.000 1.397 12 K HN -0.089 8.136 8.250 -0.041 0.000 0.422 13 S N 2.718 118.407 115.700 -0.017 0.000 2.603 13 S HA 0.100 4.566 4.470 -0.007 0.000 0.268 13 S C 0.035 174.625 174.600 -0.017 0.000 1.317 13 S CA 0.067 58.261 58.200 -0.010 0.000 1.012 13 S CB 0.770 63.969 63.200 -0.001 0.000 0.926 13 S HN 0.307 8.607 8.310 -0.015 0.000 0.539 14 A N 3.018 125.830 122.820 -0.013 0.000 2.055 14 A HA 0.081 4.386 4.320 -0.024 0.000 0.205 14 A C -0.327 177.249 177.584 -0.014 0.000 1.235 14 A CA 0.142 52.168 52.037 -0.018 0.000 0.822 14 A CB 0.557 19.545 19.000 -0.019 0.000 0.903 14 A HN 0.529 8.675 8.150 -0.007 0.000 0.473 15 R N -0.317 120.180 120.500 -0.005 0.000 3.332 15 R HA -0.310 4.034 4.340 0.005 0.000 0.263 15 R C -2.123 174.176 176.300 -0.003 0.000 1.053 15 R CA 0.427 56.526 56.100 -0.001 0.000 0.705 15 R CB -1.517 28.781 30.300 -0.005 0.000 1.166 15 R HN -0.264 8.005 8.270 -0.002 0.000 0.427 16 D N -1.580 118.820 120.400 -0.000 0.000 2.422 16 D HA -0.007 4.623 4.640 -0.017 0.000 0.227 16 D C -0.497 175.813 176.300 0.017 0.000 1.190 16 D CA -0.374 53.623 54.000 -0.005 0.000 0.905 16 D CB -0.666 40.126 40.800 -0.012 0.000 1.034 16 D HN -0.227 8.145 8.370 0.003 0.000 0.507 17 V N 2.551 122.473 119.914 0.014 0.000 2.924 17 V HA -0.025 4.140 4.120 0.076 0.000 0.305 17 V C -0.176 175.959 176.094 0.069 0.000 1.073 17 V CA 0.046 62.376 62.300 0.050 0.000 1.098 17 V CB 1.184 33.024 31.823 0.029 0.000 1.000 17 V HN -0.140 8.048 8.190 -0.003 0.000 0.484 18 F N 7.188 127.126 119.950 -0.020 0.000 2.533 18 F HA 0.040 4.557 4.527 -0.015 0.000 0.378 18 F C -0.369 175.419 175.800 -0.020 0.000 1.070 18 F CA 0.983 58.973 58.000 -0.017 0.000 1.172 18 F CB 0.235 39.226 39.000 -0.015 0.000 1.085 18 F HN 0.131 8.588 8.300 0.261 0.000 0.552 19 T N 6.758 121.150 114.554 -0.270 0.000 2.916 19 T HA 0.230 4.560 4.350 -0.032 0.000 0.292 19 T C -1.254 173.312 174.700 -0.223 0.000 1.064 19 T CA -1.651 60.357 62.100 -0.152 0.000 1.011 19 T CB 1.406 70.204 68.868 -0.116 0.000 1.152 19 T HN 0.189 8.121 8.240 -0.514 0.000 0.510 20 K N 2.036 122.380 120.400 -0.094 0.000 2.426 20 K HA 0.372 4.624 4.320 -0.113 0.000 0.251 20 K C -1.194 175.386 176.600 -0.033 0.000 0.941 20 K CA -0.427 55.822 56.287 -0.064 0.000 0.808 20 K CB 1.831 34.333 32.500 0.003 0.000 1.265 20 K HN 0.173 8.391 8.250 -0.053 0.000 0.432 21 G N 1.075 109.870 108.800 -0.008 0.000 2.561 21 G HA2 0.106 4.086 3.960 0.033 0.000 0.310 21 G HA3 0.106 4.065 3.960 -0.002 0.000 0.310 21 G C -2.385 172.590 174.900 0.124 0.000 1.292 21 G CA 0.158 45.275 45.100 0.029 0.000 0.811 21 G HN 0.102 8.387 8.290 -0.009 0.000 0.482 22 Y N 0.070 120.338 120.300 -0.054 0.000 2.424 22 Y HA 0.412 4.941 4.550 -0.035 0.000 0.323 22 Y C -1.852 174.002 175.900 -0.077 0.000 1.174 22 Y CA -0.071 57.999 58.100 -0.049 0.000 1.060 22 Y CB 1.828 40.264 38.460 -0.040 0.000 1.314 22 Y HN 0.463 8.783 8.280 0.065 0.000 0.439 23 G N 5.236 113.602 108.800 -0.724 0.000 2.539 23 G HA2 -0.212 3.169 3.960 -0.966 0.000 0.686 23 G HA3 -0.212 3.331 3.960 -0.695 0.000 0.686 23 G C -2.416 172.261 174.900 -0.372 0.000 1.258 23 G CA -0.424 44.232 45.100 -0.739 0.000 0.846 23 G HN -0.039 7.924 8.290 -0.544 0.000 0.647 24 F N -2.312 117.459 119.950 -0.298 0.000 2.535 24 F HA 0.285 4.693 4.527 -0.198 0.000 0.367 24 F C -0.869 174.826 175.800 -0.174 0.000 1.096 24 F CA -2.843 55.016 58.000 -0.236 0.000 1.088 24 F CB 0.738 39.541 39.000 -0.329 0.000 1.387 24 F HN -0.351 7.146 8.300 -1.338 0.000 0.494 25 G N -0.792 108.096 108.800 0.146 0.000 2.515 25 G HA2 -0.407 3.738 3.960 0.103 0.000 0.208 25 G HA3 -0.407 3.616 3.960 0.105 0.000 0.208 25 G C -1.592 173.289 174.900 -0.031 0.000 0.737 25 G CA 0.136 45.282 45.100 0.077 0.000 0.987 25 G HN 0.179 8.591 8.290 0.204 0.000 0.307 26 L N 5.204 126.415 121.223 -0.020 0.000 2.322 26 L HA 0.591 4.895 4.340 -0.061 0.000 0.281 26 L C -2.018 174.836 176.870 -0.026 0.000 1.014 26 L CA -1.178 53.638 54.840 -0.041 0.000 0.815 26 L CB 3.457 45.489 42.059 -0.044 0.000 1.247 26 L HN 0.077 8.308 8.230 0.002 0.000 0.421 27 I N 5.051 125.604 120.570 -0.030 0.000 2.412 27 I HA 0.502 4.795 4.170 -0.013 -0.130 0.296 27 I C -1.364 174.741 176.117 -0.019 0.000 0.987 27 I CA -2.699 58.589 61.300 -0.019 0.000 1.180 27 I CB 0.663 38.653 38.000 -0.017 0.000 1.340 27 I HN 0.792 8.978 8.210 -0.040 0.000 0.455 28 K N 5.843 126.236 120.400 -0.012 0.000 2.426 28 K HA 0.977 5.501 4.320 -0.010 -0.211 0.251 28 K C -1.994 174.608 176.600 0.003 0.000 0.941 28 K CA -1.917 54.365 56.287 -0.009 0.000 0.808 28 K CB 4.178 36.669 32.500 -0.014 0.000 1.265 28 K HN 0.699 8.944 8.250 -0.009 0.000 0.432 29 L N -0.203 121.026 121.223 0.010 0.000 2.464 29 L HA 0.954 5.514 4.340 0.030 -0.202 0.266 29 L C -2.189 174.703 176.870 0.037 0.000 0.965 29 L CA -1.429 53.426 54.840 0.026 0.000 0.833 29 L CB 3.247 45.320 42.059 0.024 0.000 1.296 29 L HN 0.623 8.858 8.230 0.007 0.000 0.405 30 D N 0.313 120.744 120.400 0.052 0.000 2.629 30 D HA 0.954 5.854 4.640 0.054 -0.228 0.250 30 D C -1.516 174.837 176.300 0.088 0.000 1.126 30 D CA -1.456 52.579 54.000 0.058 0.000 0.852 30 D CB 3.192 44.016 40.800 0.041 0.000 1.335 30 D HN 0.567 8.972 8.370 0.058 0.000 0.518 31 L N 1.385 122.666 121.223 0.097 0.000 2.370 31 L HA 0.528 4.946 4.340 0.130 0.000 0.266 31 L C -1.598 175.336 176.870 0.106 0.000 1.002 31 L CA -0.655 54.258 54.840 0.122 0.000 0.818 31 L CB 4.593 46.743 42.059 0.152 0.000 1.325 31 L HN 0.620 8.902 8.230 0.086 0.000 0.418 32 K N 1.487 121.941 120.400 0.090 0.000 2.270 32 K HA 0.979 5.586 4.320 0.118 -0.216 0.255 32 K C -0.833 175.819 176.600 0.087 0.000 0.936 32 K CA -1.408 54.932 56.287 0.089 0.000 0.809 32 K CB 2.832 35.362 32.500 0.049 0.000 1.131 32 K HN 0.300 8.596 8.250 0.076 0.000 0.427 33 T N 5.637 120.269 114.554 0.130 0.000 2.906 33 T HA 0.403 4.762 4.350 0.015 0.000 0.295 33 T C -2.087 172.619 174.700 0.010 0.000 1.075 33 T CA -1.858 60.275 62.100 0.056 0.000 1.005 33 T CB 2.238 71.128 68.868 0.037 0.000 1.136 33 T HN 0.445 8.695 8.240 0.200 0.110 0.498 34 K N 1.047 121.387 120.400 -0.100 0.000 2.318 34 K HA 0.576 5.061 4.320 -0.056 -0.198 0.249 34 K C -1.222 175.234 176.600 -0.239 0.000 0.942 34 K CA -1.969 54.250 56.287 -0.114 0.000 0.808 34 K CB 3.150 35.612 32.500 -0.062 0.000 1.189 34 K HN 0.185 8.368 8.250 -0.111 0.000 0.428 35 S N 0.889 116.450 115.700 -0.231 0.000 2.667 35 S HA 0.255 4.571 4.470 -0.258 0.000 0.292 35 S C -1.322 173.183 174.600 -0.158 0.000 1.126 35 S CA -0.994 57.047 58.200 -0.265 0.000 0.881 35 S CB 2.656 65.617 63.200 -0.399 0.000 1.132 35 S HN 0.056 8.355 8.310 -0.148 -0.079 0.492 36 E N 2.176 122.297 120.200 -0.132 0.000 2.508 36 E HA -0.240 4.079 4.350 -0.052 0.000 0.266 36 E C -0.977 175.581 176.600 -0.069 0.000 1.010 36 E CA 1.861 58.216 56.400 -0.076 0.000 0.955 36 E CB 0.187 29.855 29.700 -0.054 0.000 0.946 36 E HN 0.389 8.664 8.360 -0.141 0.000 0.454 37 N N -4.093 114.607 118.700 -0.000 0.000 2.909 37 N HA -0.329 4.500 4.740 0.148 0.000 0.242 37 N C -0.803 174.753 175.510 0.077 0.000 0.975 37 N CA 0.699 53.794 53.050 0.075 0.000 0.921 37 N CB -0.722 37.788 38.487 0.039 0.000 1.112 37 N HN 0.369 8.756 8.380 0.011 0.000 0.581 38 G N -3.612 105.196 108.800 0.013 0.000 2.502 38 G HA2 -0.464 3.512 3.960 -0.007 0.000 0.273 38 G HA3 -0.464 3.518 3.960 0.036 0.000 0.273 38 G C -1.479 173.424 174.900 0.005 0.000 1.021 38 G CA 0.174 45.280 45.100 0.011 0.000 1.333 38 G HN -0.298 7.909 8.290 -0.015 0.075 0.508 39 L N 0.193 121.395 121.223 -0.035 0.000 2.358 39 L HA 0.334 4.747 4.340 0.006 -0.069 0.268 39 L C -0.936 176.007 176.870 0.121 0.000 1.032 39 L CA -1.504 53.338 54.840 0.003 0.000 0.805 39 L CB 2.098 44.105 42.059 -0.087 0.000 1.253 39 L HN -0.501 7.762 8.230 -0.067 -0.073 0.452 40 E N 0.374 120.693 120.200 0.197 0.000 2.102 40 E HA 0.330 4.785 4.350 0.175 0.000 0.263 40 E C -1.469 175.310 176.600 0.299 0.000 0.894 40 E CA -1.060 55.461 56.400 0.202 0.000 0.746 40 E CB 2.033 31.802 29.700 0.115 0.000 1.129 40 E HN 0.013 8.479 8.360 0.177 0.000 0.416 41 F N 6.967 126.934 119.950 0.027 0.000 2.427 41 F HA 0.819 5.605 4.527 0.063 -0.222 0.346 41 F C -0.090 175.737 175.800 0.045 0.000 1.120 41 F CA -2.450 55.578 58.000 0.045 0.000 1.033 41 F CB 2.923 41.948 39.000 0.041 0.000 1.126 41 F HN 0.616 9.145 8.300 0.381 0.000 0.462 42 T N 8.206 122.817 114.554 0.095 0.000 2.847 42 T HA 0.491 5.069 4.350 0.105 -0.165 0.291 42 T C -1.289 173.452 174.700 0.069 0.000 0.998 42 T CA -0.478 61.669 62.100 0.078 0.000 0.967 42 T CB 1.634 70.526 68.868 0.039 0.000 0.954 42 T HN 0.926 9.036 8.240 -0.033 0.110 0.441 43 S N 7.172 122.929 115.700 0.094 0.000 2.449 43 S HA 0.561 5.218 4.470 0.077 -0.141 0.310 43 S C -1.442 173.197 174.600 0.064 0.000 1.096 43 S CA -1.815 56.437 58.200 0.087 0.000 1.095 43 S CB 0.922 64.192 63.200 0.115 0.000 1.007 43 S HN 0.807 9.181 8.310 0.105 0.000 0.474 44 S N 7.040 122.768 115.700 0.047 0.000 2.473 44 S HA 0.994 5.696 4.470 0.032 -0.212 0.307 44 S C -1.010 173.605 174.600 0.025 0.000 1.094 44 S CA -1.589 56.628 58.200 0.029 0.000 1.070 44 S CB 2.861 66.066 63.200 0.009 0.000 1.019 44 S HN 0.537 8.876 8.310 0.048 0.000 0.480 45 G N 1.406 110.217 108.800 0.020 0.000 2.666 45 G HA2 0.537 4.651 3.960 0.014 0.000 0.303 45 G HA3 0.537 4.508 3.960 0.019 0.000 0.303 45 G C -2.697 172.202 174.900 -0.000 0.000 1.412 45 G CA -0.820 44.288 45.100 0.014 0.000 0.979 45 G HN 0.855 9.158 8.290 0.021 0.000 0.507 46 S N 5.160 120.854 115.700 -0.010 0.000 2.500 46 S HA 1.023 5.697 4.470 -0.019 -0.215 0.301 46 S C -1.861 172.725 174.600 -0.024 0.000 1.092 46 S CA -1.057 57.131 58.200 -0.021 0.000 1.030 46 S CB 3.013 66.194 63.200 -0.031 0.000 1.031 46 S HN 0.684 8.989 8.310 -0.008 0.000 0.483 47 A N 3.179 125.981 122.820 -0.029 0.000 2.539 47 A HA 0.473 4.772 4.320 -0.035 0.000 0.296 47 A C -2.750 174.803 177.584 -0.052 0.000 1.073 47 A CA -1.279 50.737 52.037 -0.035 0.000 0.700 47 A CB 4.148 23.132 19.000 -0.027 0.000 1.296 47 A HN 0.855 8.987 8.150 -0.029 0.000 0.405 48 N N 0.588 119.247 118.700 -0.068 0.000 2.361 48 N HA 0.498 5.176 4.740 -0.103 0.000 0.302 48 N C 1.254 176.696 175.510 -0.114 0.000 1.074 48 N CA -1.155 51.833 53.050 -0.104 0.000 0.850 48 N CB 2.725 41.136 38.487 -0.127 0.000 1.228 48 N HN 0.283 8.627 8.380 -0.060 0.000 0.491 49 T N 6.065 120.533 114.554 -0.143 0.000 2.590 49 T HA -0.208 4.088 4.350 -0.090 0.000 0.257 49 T C 0.543 175.140 174.700 -0.170 0.000 1.080 49 T CA 3.333 65.351 62.100 -0.136 0.000 1.180 49 T CB 0.346 69.135 68.868 -0.131 0.000 0.865 49 T HN 0.161 8.306 8.240 -0.158 0.000 0.403 50 E N 0.607 120.636 120.200 -0.286 0.000 2.001 50 E HA -0.135 4.095 4.350 -0.199 0.000 0.195 50 E C -0.023 176.459 176.600 -0.198 0.000 1.002 50 E CA 1.316 57.547 56.400 -0.282 0.000 0.819 50 E CB 0.441 29.848 29.700 -0.488 0.000 0.769 50 E HN 0.071 8.194 8.360 -0.395 0.000 0.454 51 T N 1.603 116.019 114.554 -0.230 0.000 2.908 51 T HA -0.158 4.144 4.350 -0.081 0.000 0.325 51 T C -0.857 173.793 174.700 -0.083 0.000 1.092 51 T CA 1.058 63.081 62.100 -0.128 0.000 1.125 51 T CB 0.447 69.239 68.868 -0.128 0.000 1.016 51 T HN -0.386 7.656 8.240 -0.331 0.000 0.550 52 T N 3.786 118.314 114.554 -0.043 0.000 3.400 52 T HA 0.117 4.443 4.350 -0.039 0.000 0.362 52 T C -1.188 173.499 174.700 -0.022 0.000 1.823 52 T CA -1.350 60.732 62.100 -0.031 0.000 1.374 52 T CB -1.243 67.614 68.868 -0.018 0.000 1.130 52 T HN 0.153 8.379 8.240 -0.024 0.000 0.744 53 K N 5.491 125.873 120.400 -0.030 0.000 2.652 53 K HA 0.255 4.567 4.320 -0.013 0.000 0.249 53 K C -1.637 174.947 176.600 -0.026 0.000 0.986 53 K CA -0.704 55.569 56.287 -0.022 0.000 0.867 53 K CB 1.327 33.815 32.500 -0.021 0.000 1.201 53 K HN -0.686 7.538 8.250 -0.043 0.000 0.450 54 V N 3.725 123.630 119.914 -0.015 0.000 2.555 54 V HA 0.384 4.623 4.120 -0.021 -0.132 0.302 54 V C -0.512 175.580 176.094 -0.005 0.000 1.038 54 V CA -1.355 60.938 62.300 -0.013 0.000 0.887 54 V CB 1.799 33.618 31.823 -0.007 0.000 0.991 54 V HN 0.055 8.240 8.190 -0.008 0.000 0.434 55 T N 5.650 120.198 114.554 -0.010 0.000 2.907 55 T HA 0.380 4.734 4.350 0.008 0.000 0.292 55 T C -1.901 172.802 174.700 0.004 0.000 1.043 55 T CA -1.651 60.444 62.100 -0.009 0.000 1.003 55 T CB 2.936 71.779 68.868 -0.042 0.000 1.084 55 T HN 0.655 8.885 8.240 -0.016 0.000 0.483 56 G N 2.762 111.576 108.800 0.024 0.000 2.744 56 G HA2 0.375 4.530 3.960 0.027 0.000 0.286 56 G HA3 0.375 4.374 3.960 0.066 0.000 0.286 56 G C -1.843 173.094 174.900 0.061 0.000 1.497 56 G CA -0.005 45.122 45.100 0.045 0.000 1.070 56 G HN -0.109 8.200 8.290 0.032 0.000 0.539 57 S N 3.690 119.409 115.700 0.032 0.000 2.651 57 S HA 0.332 4.835 4.470 0.055 0.000 0.291 57 S C -1.797 172.845 174.600 0.071 0.000 1.141 57 S CA -0.885 57.334 58.200 0.032 0.000 1.027 57 S CB 2.773 65.953 63.200 -0.033 0.000 1.043 57 S HN 0.573 8.794 8.310 0.019 0.100 0.530 58 L N 0.588 121.866 121.223 0.091 0.000 2.434 58 L HA 0.752 5.285 4.340 0.052 -0.163 0.260 58 L C -2.216 174.662 176.870 0.013 0.000 0.983 58 L CA -0.607 54.272 54.840 0.064 0.000 0.820 58 L CB 4.922 47.038 42.059 0.095 0.000 1.361 58 L HN 0.460 8.757 8.230 0.111 0.000 0.410 59 E N 1.897 122.056 120.200 -0.068 0.000 2.275 59 E HA 0.314 4.622 4.350 -0.070 0.000 0.270 59 E C -2.074 174.330 176.600 -0.326 0.000 0.882 59 E CA -1.268 55.064 56.400 -0.113 0.000 0.758 59 E CB 4.122 33.794 29.700 -0.046 0.000 1.195 59 E HN 0.603 8.921 8.360 -0.070 0.000 0.419 60 T N 9.118 123.473 114.554 -0.332 0.000 2.809 60 T HA 0.402 4.301 4.350 -0.948 -0.117 0.284 60 T C -1.810 172.861 174.700 -0.049 0.000 0.992 60 T CA -0.252 61.537 62.100 -0.519 0.000 0.957 60 T CB 1.840 70.380 68.868 -0.547 0.000 0.942 60 T HN -0.050 8.090 8.240 -0.168 0.000 0.439 61 K N 6.800 127.235 120.400 0.058 0.000 2.339 61 K HA 0.300 4.738 4.320 0.196 0.000 0.264 61 K C -1.282 175.472 176.600 0.257 0.000 0.986 61 K CA -1.208 55.185 56.287 0.177 0.000 0.866 61 K CB 1.696 34.267 32.500 0.119 0.000 1.103 61 K HN 0.666 8.829 8.250 0.020 0.098 0.441 62 Y N 6.330 126.726 120.300 0.159 0.000 2.454 62 Y HA 0.132 4.788 4.550 0.178 0.000 0.345 62 Y C -1.506 174.506 175.900 0.188 0.000 0.970 62 Y CA 0.626 58.829 58.100 0.173 0.000 1.204 62 Y CB 0.564 39.112 38.460 0.147 0.000 1.122 62 Y HN 0.802 9.247 8.280 0.472 0.118 0.514 63 R N 3.284 123.914 120.500 0.215 0.000 3.045 63 R HA 0.321 4.829 4.340 0.280 0.000 0.245 63 R C -2.003 174.473 176.300 0.292 0.000 1.333 63 R CA -1.164 55.078 56.100 0.238 0.000 1.036 63 R CB 2.366 32.772 30.300 0.176 0.000 1.340 63 R HN -0.089 8.245 8.270 0.106 0.000 0.488 64 W N -1.089 120.240 121.300 0.049 0.000 5.441 64 W HA 0.233 4.902 4.660 0.015 0.000 0.169 64 W C -1.378 175.154 176.519 0.022 0.000 1.574 64 W CA 0.785 58.146 57.345 0.026 0.000 2.017 64 W CB 2.553 32.026 29.460 0.023 0.000 0.678 64 W HN 0.258 8.615 8.180 0.295 0.000 1.088 65 T N -2.940 111.590 114.554 -0.040 0.000 2.681 65 T HA 0.207 4.452 4.350 -0.175 0.000 0.296 65 T C 0.212 174.879 174.700 -0.055 0.000 1.157 65 T CA -1.420 60.556 62.100 -0.205 0.000 1.025 65 T CB 1.525 70.088 68.868 -0.508 0.000 1.441 65 T HN -0.710 7.616 8.240 0.144 0.000 0.504 66 E N -0.726 119.446 120.200 -0.047 0.000 2.000 66 E HA -0.204 4.164 4.350 0.029 0.000 0.199 66 E C 0.754 177.410 176.600 0.092 0.000 1.011 66 E CA 1.488 57.903 56.400 0.024 0.000 0.836 66 E CB 0.158 29.869 29.700 0.019 0.000 0.778 66 E HN 0.190 8.496 8.360 -0.090 0.000 0.462 67 Y N 3.043 123.321 120.300 -0.037 0.000 2.784 67 Y HA -0.200 4.709 4.550 0.008 -0.354 0.355 67 Y C -0.037 175.886 175.900 0.039 0.000 1.198 67 Y CA 0.295 58.393 58.100 -0.005 0.000 1.588 67 Y CB -0.831 37.617 38.460 -0.020 0.000 1.220 67 Y HN -0.407 7.967 8.280 0.156 0.000 0.517 68 G N 6.206 114.953 108.800 -0.088 0.000 2.367 68 G HA2 -0.004 3.766 3.960 -0.317 0.000 0.272 68 G HA3 -0.004 3.916 3.960 -0.066 0.000 0.272 68 G C -3.548 171.378 174.900 0.043 0.000 1.271 68 G CA -0.113 44.908 45.100 -0.132 0.000 0.893 68 G HN 0.152 8.505 8.290 0.105 0.000 0.485 69 L N -2.571 118.721 121.223 0.116 0.000 2.370 69 L HA 0.716 5.262 4.340 0.119 -0.135 0.266 69 L C -0.665 176.361 176.870 0.261 0.000 1.002 69 L CA -2.097 52.846 54.840 0.173 0.000 0.818 69 L CB 2.634 44.829 42.059 0.227 0.000 1.325 69 L HN -0.120 8.188 8.230 0.131 0.000 0.418 70 T N -2.623 112.056 114.554 0.207 0.000 2.812 70 T HA 0.465 5.160 4.350 0.364 -0.126 0.282 70 T C -0.794 174.042 174.700 0.227 0.000 0.990 70 T CA -1.788 60.472 62.100 0.266 0.000 0.960 70 T CB 2.752 71.726 68.868 0.176 0.000 0.948 70 T HN 0.698 8.884 8.240 0.105 0.117 0.438 71 F N 5.909 125.934 119.950 0.125 0.000 2.361 71 F HA 0.454 5.158 4.527 0.075 -0.132 0.364 71 F C -0.530 175.341 175.800 0.119 0.000 1.120 71 F CA -1.711 56.345 58.000 0.094 0.000 1.102 71 F CB 1.134 40.161 39.000 0.045 0.000 1.183 71 F HN 0.663 9.344 8.300 0.635 0.000 0.476 72 T N 6.474 121.130 114.554 0.170 0.000 2.788 72 T HA 0.718 5.353 4.350 0.186 -0.173 0.296 72 T C -1.480 173.278 174.700 0.096 0.000 1.009 72 T CA -1.961 60.221 62.100 0.137 0.000 0.949 72 T CB 0.733 69.653 68.868 0.086 0.000 0.946 72 T HN 1.027 9.306 8.240 0.066 0.000 0.453 73 E N 7.422 127.676 120.200 0.089 0.000 2.393 73 E HA 0.928 5.482 4.350 0.074 -0.159 0.273 73 E C -1.807 174.818 176.600 0.040 0.000 0.918 73 E CA -2.171 54.270 56.400 0.069 0.000 0.773 73 E CB 3.904 33.647 29.700 0.072 0.000 1.275 73 E HN 0.265 8.688 8.360 0.104 0.000 0.451 74 K N -1.407 119.038 120.400 0.074 0.000 4.387 74 K HA 0.376 4.737 4.320 0.069 0.000 0.603 74 K C -2.450 174.292 176.600 0.236 0.000 0.839 74 K CA 0.312 56.655 56.287 0.093 0.000 0.864 74 K CB 2.412 34.925 32.500 0.021 0.000 1.692 74 K HN 0.543 8.855 8.250 0.102 0.000 0.774 75 W N 0.060 121.349 121.300 -0.018 0.000 2.683 75 W HA 0.534 5.330 4.660 0.001 -0.135 0.329 75 W C -1.757 174.755 176.519 -0.011 0.000 1.037 75 W CA -1.527 55.814 57.345 -0.007 0.000 1.232 75 W CB 2.836 32.294 29.460 -0.004 0.000 1.390 75 W HN -0.185 8.143 8.180 0.247 0.000 0.465 76 N N 4.695 123.269 118.700 -0.211 0.000 2.459 76 N HA 0.361 5.019 4.740 -0.137 0.000 0.288 76 N C -0.380 174.860 175.510 -0.450 0.000 1.186 76 N CA -1.043 51.864 53.050 -0.239 0.000 0.917 76 N CB 3.701 42.101 38.487 -0.145 0.000 1.219 76 N HN 0.830 8.932 8.380 -0.283 0.108 0.525 77 T N -1.600 112.776 114.554 -0.297 0.000 2.709 77 T HA -0.248 3.894 4.350 -0.346 0.000 0.345 77 T C 0.554 175.039 174.700 -0.358 0.000 1.086 77 T CA 1.581 63.498 62.100 -0.306 0.000 1.084 77 T CB 0.524 69.286 68.868 -0.176 0.000 1.000 77 T HN 0.299 8.422 8.240 -0.195 0.000 0.549 78 D N -1.057 119.157 120.400 -0.310 0.000 3.012 78 D HA -0.359 4.162 4.640 -0.197 0.000 0.222 78 D C -1.197 174.892 176.300 -0.351 0.000 1.167 78 D CA 1.381 55.227 54.000 -0.257 0.000 0.854 78 D CB -0.362 40.330 40.800 -0.180 0.000 1.107 78 D HN 0.582 8.792 8.370 -0.266 0.000 0.421 79 N N -6.835 111.475 118.700 -0.651 0.000 2.696 79 N HA -0.438 3.073 4.740 -2.048 0.000 0.256 79 N C -1.660 173.547 175.510 -0.506 0.000 1.031 79 N CA 1.570 54.117 53.050 -0.839 0.000 0.730 79 N CB -1.559 36.825 38.487 -0.171 0.000 0.894 79 N HN -0.115 7.767 8.380 -0.753 0.046 0.544 80 T N -0.937 113.226 114.554 -0.652 0.000 2.888 80 T HA 0.284 4.531 4.350 -0.172 0.000 0.284 80 T C -1.049 173.589 174.700 -0.104 0.000 1.017 80 T CA -0.206 61.729 62.100 -0.275 0.000 1.022 80 T CB 2.337 71.082 68.868 -0.205 0.000 1.013 80 T HN -0.228 7.464 8.240 -0.913 0.000 0.465 81 L N 5.056 126.358 121.223 0.132 0.000 2.265 81 L HA 0.254 4.876 4.340 0.470 0.000 0.288 81 L C -0.278 176.704 176.870 0.188 0.000 1.058 81 L CA -0.752 54.264 54.840 0.292 0.000 0.809 81 L CB -0.070 42.199 42.059 0.350 0.000 1.179 81 L HN 0.905 9.061 8.230 0.064 0.112 0.429 82 G N 3.886 112.787 108.800 0.168 0.000 2.332 82 G HA2 0.611 4.628 3.960 0.095 0.000 0.310 82 G HA3 0.611 4.622 3.960 0.085 0.000 0.310 82 G C -2.143 172.823 174.900 0.109 0.000 1.123 82 G CA -0.660 44.506 45.100 0.110 0.000 0.873 82 G HN 0.543 8.965 8.290 0.220 0.000 0.460 83 T N 7.838 122.449 114.554 0.095 0.000 3.578 83 T HA 0.412 4.951 4.350 0.079 -0.142 0.329 83 T C -1.606 173.129 174.700 0.058 0.000 0.913 83 T CA 0.088 62.236 62.100 0.080 0.000 1.029 83 T CB 1.630 70.549 68.868 0.085 0.000 1.045 83 T HN 0.453 8.750 8.240 0.094 0.000 0.460 84 E N 6.083 126.303 120.200 0.033 0.000 2.369 84 E HA 1.009 5.512 4.350 0.043 -0.127 0.270 84 E C -1.938 174.603 176.600 -0.098 0.000 0.909 84 E CA -2.050 54.358 56.400 0.013 0.000 0.775 84 E CB 4.959 34.684 29.700 0.041 0.000 1.270 84 E HN 0.914 9.298 8.360 0.039 0.000 0.445 85 I N -3.574 116.914 120.570 -0.136 0.000 2.548 85 I HA 0.932 5.106 4.170 -0.368 -0.225 0.287 85 I C -1.345 174.697 176.117 -0.124 0.000 1.103 85 I CA -1.248 59.853 61.300 -0.332 0.000 1.049 85 I CB 2.934 40.481 38.000 -0.755 0.000 1.232 85 I HN 0.955 9.046 8.210 -0.010 0.113 0.429 86 T N 8.416 122.923 114.554 -0.079 0.000 2.848 86 T HA 0.707 5.244 4.350 0.015 -0.178 0.285 86 T C -1.630 173.086 174.700 0.026 0.000 0.995 86 T CA -0.456 61.644 62.100 -0.000 0.000 0.970 86 T CB 2.371 71.252 68.868 0.022 0.000 0.976 86 T HN 0.457 8.643 8.240 -0.091 0.000 0.441 87 V N 5.166 125.108 119.914 0.047 0.000 2.656 87 V HA 0.820 5.096 4.120 0.081 -0.107 0.307 87 V C -3.018 173.128 176.094 0.086 0.000 1.051 87 V CA -3.060 59.285 62.300 0.074 0.000 0.893 87 V CB 3.280 35.152 31.823 0.082 0.000 0.999 87 V HN 1.071 9.186 8.190 0.047 0.104 0.426 88 E N 5.900 126.163 120.200 0.105 0.000 2.256 88 E HA 0.400 4.804 4.350 0.091 0.000 0.267 88 E C -2.257 174.458 176.600 0.192 0.000 0.892 88 E CA -2.297 54.170 56.400 0.111 0.000 0.775 88 E CB 4.301 34.049 29.700 0.079 0.000 1.207 88 E HN 0.186 8.610 8.360 0.107 0.000 0.420 89 D N 3.423 123.912 120.400 0.148 0.000 2.185 89 D HA 0.355 5.218 4.640 0.372 0.000 0.247 89 D C -0.655 175.650 176.300 0.007 0.000 1.027 89 D CA -1.482 52.604 54.000 0.143 0.000 0.861 89 D CB 2.617 43.454 40.800 0.062 0.000 1.202 89 D HN -0.032 8.391 8.370 0.088 0.000 0.453 90 Q N 3.858 123.580 119.800 -0.130 0.000 2.123 90 Q HA -0.086 4.216 4.340 -0.064 0.000 0.193 90 Q C 0.421 176.316 176.000 -0.175 0.000 0.981 90 Q CA 2.023 57.742 55.803 -0.140 0.000 0.833 90 Q CB 0.767 29.416 28.738 -0.150 0.000 0.914 90 Q HN 0.213 8.279 8.270 -0.339 0.000 0.484 91 L N 0.545 121.608 121.223 -0.267 0.000 2.737 91 L HA -0.247 4.003 4.340 -0.150 0.000 0.275 91 L C -0.434 176.356 176.870 -0.132 0.000 1.179 91 L CA 1.545 56.271 54.840 -0.190 0.000 0.970 91 L CB -0.235 41.694 42.059 -0.217 0.000 1.268 91 L HN 0.062 8.033 8.230 -0.433 0.000 0.485 92 A N 2.192 124.952 122.820 -0.100 0.000 2.800 92 A HA -0.252 4.022 4.320 -0.078 0.000 0.292 92 A C -0.279 177.251 177.584 -0.090 0.000 1.474 92 A CA 0.593 52.581 52.037 -0.082 0.000 0.744 92 A CB -1.707 17.256 19.000 -0.063 0.000 1.044 92 A HN 0.185 8.277 8.150 -0.097 0.000 0.489 93 R N -1.985 118.457 120.500 -0.096 0.000 2.862 93 R HA -0.236 4.152 4.340 -0.083 -0.097 0.267 93 R C 0.190 176.401 176.300 -0.149 0.000 0.995 93 R CA 0.473 56.513 56.100 -0.100 0.000 1.140 93 R CB -0.017 30.231 30.300 -0.086 0.000 1.031 93 R HN -0.430 7.783 8.270 -0.094 0.000 0.459 94 G N -1.996 106.691 108.800 -0.188 0.000 3.509 94 G HA2 -0.063 3.692 3.960 -0.342 0.000 0.220 94 G HA3 -0.063 3.632 3.960 -0.442 0.000 0.220 94 G C -2.108 172.518 174.900 -0.455 0.000 0.951 94 G CA -0.369 44.512 45.100 -0.366 0.000 0.844 94 G HN 0.556 8.763 8.290 -0.137 0.000 0.568 95 L N -2.931 118.180 121.223 -0.188 0.000 2.370 95 L HA 1.262 5.794 4.340 -0.010 -0.198 0.266 95 L C -2.228 174.656 176.870 0.023 0.000 1.002 95 L CA -2.429 52.403 54.840 -0.014 0.000 0.818 95 L CB 2.797 44.950 42.059 0.156 0.000 1.325 95 L HN -0.790 7.367 8.230 -0.122 0.000 0.418 96 K N -0.217 120.215 120.400 0.053 0.000 2.507 96 K HA 0.421 4.771 4.320 0.051 0.000 0.251 96 K C -1.854 174.778 176.600 0.054 0.000 0.943 96 K CA -1.712 54.604 56.287 0.048 0.000 0.794 96 K CB 3.453 35.972 32.500 0.031 0.000 1.188 96 K HN 0.455 8.754 8.250 0.082 0.000 0.428 97 L N 5.743 127.000 121.223 0.057 0.000 2.282 97 L HA 0.359 4.723 4.340 0.039 0.000 0.288 97 L C -1.879 175.017 176.870 0.044 0.000 1.033 97 L CA -1.168 53.703 54.840 0.052 0.000 0.807 97 L CB 2.049 44.152 42.059 0.073 0.000 1.209 97 L HN 0.477 8.745 8.230 0.063 0.000 0.423 98 T N 8.436 123.002 114.554 0.020 0.000 2.916 98 T HA 0.424 4.940 4.350 0.041 -0.142 0.298 98 T C -1.951 172.751 174.700 0.003 0.000 1.031 98 T CA -0.487 61.625 62.100 0.020 0.000 0.993 98 T CB 2.758 71.626 68.868 0.001 0.000 1.045 98 T HN 0.636 8.871 8.240 -0.008 0.000 0.454 99 F N 6.544 126.467 119.950 -0.045 0.000 2.553 99 F HA 0.283 4.803 4.527 -0.013 0.000 0.335 99 F C -2.502 173.278 175.800 -0.034 0.000 1.148 99 F CA -1.455 56.522 58.000 -0.037 0.000 0.963 99 F CB 3.985 42.950 39.000 -0.059 0.000 1.217 99 F HN 0.919 9.196 8.300 0.134 0.104 0.441 100 D N 7.879 128.407 120.400 0.212 0.000 2.280 100 D HA 0.267 4.986 4.640 0.132 0.000 0.236 100 D C -1.761 174.672 176.300 0.223 0.000 1.082 100 D CA 0.141 54.237 54.000 0.160 0.000 0.834 100 D CB 1.893 42.735 40.800 0.071 0.000 1.100 100 D HN 0.741 9.148 8.370 0.061 0.000 0.486 101 S N 3.913 119.718 115.700 0.175 0.000 2.561 101 S HA 0.749 5.494 4.470 0.188 -0.162 0.303 101 S C -1.947 172.732 174.600 0.132 0.000 1.110 101 S CA -0.807 57.490 58.200 0.162 0.000 1.034 101 S CB 2.409 65.682 63.200 0.122 0.000 1.010 101 S HN 0.381 8.680 8.310 0.134 0.092 0.482 102 S N 5.980 121.766 115.700 0.143 0.000 2.536 102 S HA 0.953 5.714 4.470 0.150 -0.201 0.287 102 S C -2.180 172.558 174.600 0.229 0.000 1.101 102 S CA -1.494 56.795 58.200 0.147 0.000 0.950 102 S CB 3.128 66.381 63.200 0.088 0.000 1.056 102 S HN 0.579 8.977 8.310 0.147 0.000 0.481 103 F N 7.359 127.340 119.950 0.052 0.000 2.536 103 F HA 0.519 5.206 4.527 0.040 -0.136 0.322 103 F C -2.432 173.402 175.800 0.057 0.000 1.144 103 F CA -1.934 56.097 58.000 0.052 0.000 0.924 103 F CB 3.501 42.536 39.000 0.058 0.000 1.181 103 F HN 0.694 9.144 8.300 0.250 0.000 0.438 104 S N 9.102 124.498 115.700 -0.507 0.000 2.488 104 S HA 0.615 4.851 4.470 -0.391 0.000 0.310 104 S C -1.922 172.239 174.600 -0.732 0.000 1.093 104 S CA -2.708 55.197 58.200 -0.492 0.000 1.129 104 S CB 0.901 63.966 63.200 -0.225 0.000 0.989 104 S HN 0.316 8.357 8.310 -0.272 0.105 0.479 105 P HA -0.047 4.017 4.420 -0.594 0.000 0.217 105 P C -0.192 176.990 177.300 -0.198 0.000 1.151 105 P CA 1.179 63.960 63.100 -0.531 0.000 0.828 105 P CB 0.373 31.909 31.700 -0.273 0.000 0.788 106 N N 0.378 118.995 118.700 -0.137 0.000 2.454 106 N HA -0.182 4.539 4.740 -0.032 0.000 0.285 106 N C -0.118 175.350 175.510 -0.070 0.000 1.233 106 N CA 0.136 53.149 53.050 -0.062 0.000 1.036 106 N CB -1.161 37.308 38.487 -0.031 0.000 1.423 106 N HN -0.341 7.948 8.380 -0.152 0.000 0.495 107 T N -2.041 112.482 114.554 -0.052 0.000 3.852 107 T HA -0.368 3.968 4.350 -0.024 0.000 0.361 107 T C -0.999 173.670 174.700 -0.052 0.000 0.759 107 T CA 1.010 63.087 62.100 -0.037 0.000 1.899 107 T CB -1.299 67.555 68.868 -0.024 0.000 1.822 107 T HN 0.080 8.280 8.240 -0.041 0.016 0.778 108 G N -0.176 108.573 108.800 -0.084 0.000 3.243 108 G HA2 0.207 4.135 3.960 -0.053 0.000 0.248 108 G HA3 0.207 4.142 3.960 -0.129 -0.053 0.248 108 G C -2.178 172.692 174.900 -0.050 0.000 1.267 108 G CA -0.746 44.303 45.100 -0.085 0.000 0.906 108 G HN -0.434 7.788 8.290 -0.107 0.004 0.592 109 K N -1.251 119.133 120.400 -0.025 0.000 2.367 109 K HA 0.231 4.634 4.320 0.139 0.000 0.272 109 K C -1.710 174.998 176.600 0.180 0.000 1.046 109 K CA -1.204 55.134 56.287 0.084 0.000 0.895 109 K CB 3.436 35.973 32.500 0.061 0.000 1.512 109 K HN -0.157 8.063 8.250 -0.049 0.000 0.433 110 K N 0.707 121.260 120.400 0.254 0.000 2.213 110 K HA 0.394 5.094 4.320 0.383 -0.150 0.270 110 K C -1.531 175.152 176.600 0.139 0.000 1.002 110 K CA -0.920 55.535 56.287 0.280 0.000 0.868 110 K CB 1.142 33.776 32.500 0.223 0.000 1.093 110 K HN 0.211 8.578 8.250 0.196 0.000 0.454 111 N N 3.969 122.749 118.700 0.134 0.000 2.372 111 N HA 0.342 5.126 4.740 0.074 0.000 0.285 111 N C -2.364 173.223 175.510 0.128 0.000 1.008 111 N CA -0.824 52.285 53.050 0.098 0.000 0.880 111 N CB 3.749 42.281 38.487 0.075 0.000 1.239 111 N HN 0.469 8.948 8.380 0.166 0.000 0.484 112 A N 4.492 127.398 122.820 0.143 0.000 2.332 112 A HA 0.726 5.337 4.320 0.254 -0.139 0.300 112 A C -2.266 175.447 177.584 0.215 0.000 1.153 112 A CA -1.536 50.647 52.037 0.243 0.000 0.764 112 A CB 2.267 21.468 19.000 0.335 0.000 1.174 112 A HN 0.199 8.414 8.150 0.108 0.000 0.467 113 K N 3.448 123.937 120.400 0.148 0.000 2.471 113 K HA 0.807 5.282 4.320 0.004 -0.153 0.252 113 K C -2.158 174.294 176.600 -0.246 0.000 0.938 113 K CA -1.815 54.468 56.287 -0.008 0.000 0.796 113 K CB 3.604 36.106 32.500 0.005 0.000 1.161 113 K HN 0.786 9.149 8.250 0.189 0.000 0.425 114 I N 3.633 123.917 120.570 -0.477 0.000 2.460 114 I HA 0.428 4.125 4.170 -0.945 -0.094 0.298 114 I C -2.758 173.152 176.117 -0.346 0.000 0.989 114 I CA -2.134 58.696 61.300 -0.783 0.000 1.173 114 I CB 3.303 40.613 38.000 -1.151 0.000 1.338 114 I HN 0.927 8.951 8.210 -0.310 0.000 0.456 115 K N 8.509 128.755 120.400 -0.256 0.000 2.422 115 K HA 0.829 5.255 4.320 -0.105 -0.169 0.251 115 K C -1.947 174.607 176.600 -0.077 0.000 0.933 115 K CA -1.798 54.417 56.287 -0.120 0.000 0.798 115 K CB 4.085 36.543 32.500 -0.069 0.000 1.238 115 K HN 0.997 8.956 8.250 -0.294 0.114 0.428 116 T N 3.144 117.676 114.554 -0.036 0.000 2.881 116 T HA 0.832 5.386 4.350 0.010 -0.197 0.290 116 T C -1.004 173.722 174.700 0.042 0.000 1.000 116 T CA -1.926 60.177 62.100 0.005 0.000 0.978 116 T CB 3.244 72.116 68.868 0.006 0.000 0.997 116 T HN 0.374 8.594 8.240 -0.034 0.000 0.443 117 G N 3.010 111.847 108.800 0.062 0.000 2.417 117 G HA2 0.503 4.513 3.960 0.083 0.000 0.320 117 G HA3 0.503 4.495 3.960 0.054 0.000 0.320 117 G C -3.231 171.743 174.900 0.123 0.000 1.204 117 G CA -1.290 43.857 45.100 0.078 0.000 0.923 117 G HN 0.428 8.751 8.290 0.054 0.000 0.466 118 Y N 6.525 126.821 120.300 -0.007 0.000 2.331 118 Y HA 0.698 5.454 4.550 -0.015 -0.214 0.334 118 Y C -2.160 173.724 175.900 -0.026 0.000 0.960 118 Y CA -1.586 56.505 58.100 -0.016 0.000 1.130 118 Y CB 4.157 42.606 38.460 -0.018 0.000 1.164 118 Y HN 0.568 8.960 8.280 0.186 0.000 0.458 119 K N 9.122 129.310 120.400 -0.354 0.000 2.213 119 K HA 0.480 4.851 4.320 -0.128 -0.128 0.270 119 K C -1.469 174.952 176.600 -0.299 0.000 1.002 119 K CA -1.132 55.007 56.287 -0.247 0.000 0.868 119 K CB 2.227 34.596 32.500 -0.218 0.000 1.093 119 K HN 0.651 8.434 8.250 -0.586 0.115 0.454 120 R N 3.922 124.343 120.500 -0.131 0.000 2.981 120 R HA 0.077 4.355 4.340 -0.103 0.000 0.228 120 R C 1.003 177.212 176.300 -0.152 0.000 1.421 120 R CA -1.011 55.041 56.100 -0.080 0.000 1.073 120 R CB 2.230 32.563 30.300 0.055 0.000 1.568 120 R HN 0.346 8.558 8.270 -0.098 0.000 0.514 121 E N -0.976 119.140 120.200 -0.139 0.000 2.086 121 E HA -0.290 3.873 4.350 -0.311 0.000 0.200 121 E C 0.304 176.589 176.600 -0.525 0.000 1.012 121 E CA 2.616 58.847 56.400 -0.282 0.000 0.812 121 E CB -0.188 29.415 29.700 -0.162 0.000 0.743 121 E HN 0.510 8.831 8.360 -0.065 0.000 0.453 122 H N -3.670 115.333 119.070 -0.111 0.000 3.192 122 H HA 0.133 4.481 4.556 -0.347 0.000 0.247 122 H C -2.255 172.914 175.328 -0.265 0.000 1.203 122 H CA -0.812 55.070 56.048 -0.276 0.000 0.973 122 H CB 1.719 31.299 29.762 -0.304 0.000 2.500 122 H HN -0.212 8.045 8.280 -0.038 0.000 0.678 123 I N -0.284 120.251 120.570 -0.058 0.000 2.692 123 I HA 0.202 4.342 4.170 -0.050 0.000 0.293 123 I C -3.091 173.010 176.117 -0.026 0.000 1.200 123 I CA -1.011 60.279 61.300 -0.017 0.000 1.036 123 I CB 3.388 41.436 38.000 0.080 0.000 1.258 123 I HN -0.460 7.705 8.210 -0.073 0.000 0.421 124 N N 7.401 126.085 118.700 -0.026 0.000 2.372 124 N HA 0.751 5.707 4.740 0.031 -0.198 0.285 124 N C -2.093 173.464 175.510 0.078 0.000 1.008 124 N CA -0.893 52.167 53.050 0.016 0.000 0.880 124 N CB 3.319 41.794 38.487 -0.019 0.000 1.239 124 N HN 0.579 8.941 8.380 -0.030 0.000 0.484 125 L N 5.599 126.895 121.223 0.121 0.000 2.313 125 L HA 0.394 4.778 4.340 0.073 0.000 0.283 125 L C -2.113 174.811 176.870 0.090 0.000 1.013 125 L CA -1.556 53.340 54.840 0.095 0.000 0.816 125 L CB 3.013 45.112 42.059 0.067 0.000 1.236 125 L HN 0.648 8.982 8.230 0.175 0.000 0.419 126 G N 4.567 113.403 108.800 0.059 0.000 2.468 126 G HA2 0.448 4.661 3.960 0.055 0.000 0.315 126 G HA3 0.448 4.435 3.960 0.045 0.000 0.315 126 G C -1.959 172.952 174.900 0.020 0.000 1.203 126 G CA -0.850 44.277 45.100 0.046 0.000 0.962 126 G HN 0.836 9.057 8.290 0.054 0.101 0.476 127 C N 6.656 125.959 119.300 0.004 0.000 2.265 127 C HA 0.213 4.663 4.460 -0.017 0.000 0.332 127 C C -1.686 173.285 174.990 -0.032 0.000 1.248 127 C CA 0.602 59.609 59.018 -0.019 0.000 1.727 127 C CB 0.891 28.609 27.740 -0.037 0.000 2.348 127 C HN 0.626 8.865 8.230 0.015 0.000 0.519 128 D N 7.732 128.118 120.400 -0.023 0.000 2.505 128 D HA 0.837 5.654 4.640 -0.071 -0.219 0.249 128 D C -1.783 174.501 176.300 -0.026 0.000 1.082 128 D CA -0.220 53.758 54.000 -0.037 0.000 0.839 128 D CB 4.135 44.925 40.800 -0.016 0.000 1.317 128 D HN 0.640 9.006 8.370 -0.007 0.000 0.497 129 M N 3.324 122.892 119.600 -0.054 0.000 2.326 129 M HA 0.684 5.346 4.480 0.020 -0.170 0.292 129 M C -2.807 173.497 176.300 0.007 0.000 1.081 129 M CA -1.014 54.279 55.300 -0.012 0.000 0.919 129 M CB 4.803 37.393 32.600 -0.016 0.000 1.634 129 M HN 0.674 8.901 8.290 -0.105 0.000 0.451 130 D N 7.705 128.141 120.400 0.060 0.000 2.373 130 D HA 0.465 5.267 4.640 0.074 -0.118 0.227 130 D C -1.367 175.033 176.300 0.167 0.000 1.091 130 D CA 0.121 54.172 54.000 0.086 0.000 0.840 130 D CB 0.716 41.549 40.800 0.055 0.000 1.060 130 D HN 0.421 8.719 8.370 0.064 0.110 0.502 131 F N 4.284 124.263 119.950 0.048 0.000 2.507 131 F HA 0.224 4.785 4.527 0.056 0.000 0.327 131 F C -2.027 173.825 175.800 0.086 0.000 1.068 131 F CA -0.535 57.509 58.000 0.074 0.000 0.965 131 F CB 3.711 42.777 39.000 0.109 0.000 1.192 131 F HN 0.177 8.646 8.300 0.282 0.000 0.476 132 D N 3.399 123.270 120.400 -0.881 0.000 2.760 132 D HA -0.234 4.004 4.640 -0.669 0.000 0.244 132 D C -1.614 174.568 176.300 -0.195 0.000 1.123 132 D CA 1.403 55.075 54.000 -0.547 0.000 0.719 132 D CB -0.783 39.853 40.800 -0.273 0.000 1.045 132 D HN 0.546 8.006 8.370 -1.517 0.000 0.426 133 I N -6.583 113.887 120.570 -0.167 0.000 3.511 133 I HA 0.201 4.346 4.170 -0.043 0.000 0.321 133 I C -0.858 175.224 176.117 -0.059 0.000 1.459 133 I CA -2.279 58.982 61.300 -0.065 0.000 0.946 133 I CB -0.925 37.064 38.000 -0.018 0.000 1.655 133 I HN -0.182 7.888 8.210 -0.233 0.000 0.645 134 A N -0.153 122.615 122.820 -0.087 0.000 2.917 134 A HA -0.162 4.118 4.320 -0.067 0.000 0.286 134 A C -0.224 177.334 177.584 -0.043 0.000 1.435 134 A CA 0.355 52.357 52.037 -0.059 0.000 0.737 134 A CB -1.112 17.868 19.000 -0.034 0.000 1.049 134 A HN 0.235 8.305 8.150 -0.134 0.000 0.483 135 G N -2.087 106.681 108.800 -0.054 0.000 3.084 135 G HA2 -0.135 3.820 3.960 -0.008 0.000 0.543 135 G HA3 -0.135 3.821 3.960 -0.007 0.000 0.543 135 G C -3.292 171.611 174.900 0.004 0.000 1.239 135 G CA -0.415 44.675 45.100 -0.017 0.000 1.190 135 G HN -0.234 7.998 8.290 -0.096 0.000 0.549 136 P HA 0.232 4.957 4.420 0.124 -0.231 0.270 136 P C -1.282 176.073 177.300 0.092 0.000 1.242 136 P CA -0.838 62.325 63.100 0.105 0.000 0.768 136 P CB 0.534 32.338 31.700 0.173 0.000 0.820 137 S N 3.431 119.184 115.700 0.088 0.000 2.501 137 S HA 0.652 5.299 4.470 0.082 -0.127 0.301 137 S C -0.841 173.810 174.600 0.084 0.000 1.096 137 S CA -1.919 56.329 58.200 0.079 0.000 1.063 137 S CB 2.806 66.041 63.200 0.060 0.000 1.042 137 S HN 0.015 8.381 8.310 0.093 0.000 0.494 138 I N 3.040 123.669 120.570 0.098 0.000 2.476 138 I HA 0.488 4.830 4.170 0.057 -0.138 0.281 138 I C -1.678 174.513 176.117 0.124 0.000 1.040 138 I CA -0.409 60.942 61.300 0.085 0.000 1.094 138 I CB 2.115 40.153 38.000 0.065 0.000 1.219 138 I HN 0.741 9.022 8.210 0.118 0.000 0.450 139 R N 5.882 126.437 120.500 0.093 0.000 2.778 139 R HA 0.528 5.047 4.340 0.211 -0.052 0.277 139 R C -1.694 174.651 176.300 0.074 0.000 0.977 139 R CA -2.345 53.828 56.100 0.123 0.000 0.950 139 R CB 3.289 33.647 30.300 0.098 0.000 1.165 139 R HN 1.042 9.347 8.270 0.059 0.000 0.474 140 G N -1.314 107.542 108.800 0.092 0.000 2.683 140 G HA2 0.618 4.782 3.960 0.026 0.000 0.299 140 G HA3 0.618 4.587 3.960 0.015 0.000 0.299 140 G C -2.929 172.008 174.900 0.062 0.000 1.432 140 G CA -0.517 44.610 45.100 0.045 0.000 0.978 140 G HN 0.687 8.967 8.290 0.156 0.104 0.513 141 A N 6.585 129.434 122.820 0.049 0.000 2.273 141 A HA 0.723 5.203 4.320 0.060 -0.124 0.315 141 A C -2.358 175.261 177.584 0.057 0.000 1.256 141 A CA -1.929 50.140 52.037 0.053 0.000 0.851 141 A CB 2.236 21.261 19.000 0.043 0.000 1.172 141 A HN 0.977 9.150 8.150 0.038 0.000 0.508 142 L N 7.147 128.412 121.223 0.070 0.000 2.287 142 L HA 0.940 5.506 4.340 0.079 -0.178 0.287 142 L C -2.048 174.872 176.870 0.084 0.000 1.022 142 L CA -1.491 53.402 54.840 0.088 0.000 0.814 142 L CB 2.998 45.122 42.059 0.109 0.000 1.217 142 L HN 0.680 8.955 8.230 0.075 0.000 0.420 143 V N 2.426 122.392 119.914 0.087 0.000 2.680 143 V HA 0.547 4.776 4.120 0.028 -0.093 0.309 143 V C -2.412 173.724 176.094 0.070 0.000 1.052 143 V CA -2.101 60.259 62.300 0.099 0.000 0.908 143 V CB 2.846 34.808 31.823 0.231 0.000 1.001 143 V HN 0.760 9.004 8.190 0.090 0.000 0.431 144 L N 1.650 122.918 121.223 0.076 0.000 2.401 144 L HA 0.467 4.731 4.340 -0.127 0.000 0.266 144 L C -1.102 175.785 176.870 0.028 0.000 0.991 144 L CA -0.520 54.333 54.840 0.022 0.000 0.818 144 L CB 3.328 45.529 42.059 0.236 0.000 1.321 144 L HN 0.908 9.076 8.230 0.086 0.113 0.413 145 G N -0.170 108.483 108.800 -0.246 0.000 2.702 145 G HA2 0.568 4.622 3.960 0.158 0.000 0.295 145 G HA3 0.568 4.442 3.960 -0.143 0.000 0.295 145 G C -1.609 173.130 174.900 -0.269 0.000 1.446 145 G CA 0.204 45.243 45.100 -0.102 0.000 0.983 145 G HN -0.072 7.935 8.290 -0.471 0.000 0.520 146 Y N 1.695 122.063 120.300 0.113 0.000 2.562 146 Y HA 0.201 4.757 4.550 0.011 0.000 0.343 146 Y C 0.030 176.024 175.900 0.156 0.000 1.025 146 Y CA -1.809 56.366 58.100 0.126 0.000 1.082 146 Y CB 4.067 42.660 38.460 0.221 0.000 1.264 146 Y HN 0.551 9.061 8.280 0.384 0.000 0.478 147 E N 3.085 123.448 120.200 0.271 0.000 2.037 147 E HA -0.345 4.038 4.350 0.055 0.000 0.253 147 E C 0.259 176.814 176.600 -0.075 0.000 1.265 147 E CA 1.062 57.525 56.400 0.106 0.000 0.972 147 E CB -0.916 28.839 29.700 0.092 0.000 1.054 147 E HN 0.572 9.093 8.360 0.269 0.000 0.432 148 G N 3.405 112.085 108.800 -0.200 0.000 2.254 148 G HA2 -0.304 3.585 3.960 -0.371 0.000 0.225 148 G HA3 -0.304 3.136 3.960 -0.867 0.000 0.225 148 G C -1.239 173.303 174.900 -0.596 0.000 1.003 148 G CA -0.212 44.559 45.100 -0.550 0.000 0.622 148 G HN -0.101 8.148 8.290 -0.069 0.000 0.507 149 W N 0.376 121.737 121.300 0.101 0.000 2.666 149 W HA 0.308 5.054 4.660 0.142 0.000 0.334 149 W C -1.830 174.794 176.519 0.175 0.000 1.051 149 W CA -1.468 55.952 57.345 0.126 0.000 1.224 149 W CB 1.891 31.383 29.460 0.053 0.000 1.405 149 W HN -0.564 7.466 8.180 0.089 0.204 0.513 150 L N -0.177 121.259 121.223 0.354 0.000 2.431 150 L HA 0.605 5.131 4.340 0.310 0.000 0.266 150 L C -1.743 175.249 176.870 0.204 0.000 0.978 150 L CA -0.677 54.322 54.840 0.266 0.000 0.822 150 L CB 3.721 45.892 42.059 0.188 0.000 1.310 150 L HN 0.938 9.380 8.230 0.353 0.000 0.409 151 A N 0.989 123.901 122.820 0.152 0.000 2.475 151 A HA 0.869 5.249 4.320 -0.090 -0.115 0.301 151 A C -1.897 175.558 177.584 -0.214 0.000 1.059 151 A CA -1.453 50.557 52.037 -0.044 0.000 0.710 151 A CB 4.236 23.271 19.000 0.058 0.000 1.288 151 A HN 0.839 9.110 8.150 0.201 0.000 0.408 152 G N 0.018 108.432 108.800 -0.643 0.000 2.728 152 G HA2 0.761 4.660 3.960 -0.330 0.000 0.294 152 G HA3 0.761 4.559 3.960 -0.269 0.000 0.294 152 G C -3.257 171.125 174.900 -0.863 0.000 1.398 152 G CA 0.603 45.385 45.100 -0.531 0.000 1.183 152 G HN 0.381 8.101 8.290 -0.950 0.000 0.578 153 Y N 0.481 120.694 120.300 -0.146 0.000 2.492 153 Y HA 0.704 5.174 4.550 -0.387 -0.152 0.346 153 Y C -2.422 173.374 175.900 -0.174 0.000 0.997 153 Y CA -1.903 55.995 58.100 -0.336 0.000 1.025 153 Y CB 4.556 42.644 38.460 -0.620 0.000 1.263 153 Y HN 1.081 9.142 8.280 -0.187 0.107 0.454 154 Q N 1.721 121.532 119.800 0.020 0.000 2.285 154 Q HA 0.583 5.096 4.340 0.068 -0.132 0.269 154 Q C -1.967 174.104 176.000 0.118 0.000 1.030 154 Q CA -1.020 54.823 55.803 0.066 0.000 0.788 154 Q CB 4.240 33.011 28.738 0.055 0.000 1.266 154 Q HN 0.806 9.076 8.270 -0.001 0.000 0.438 155 M N 3.844 123.536 119.600 0.153 0.000 2.572 155 M HA 0.307 4.892 4.480 0.174 0.000 0.299 155 M C -2.441 174.003 176.300 0.240 0.000 1.205 155 M CA -0.711 54.722 55.300 0.222 0.000 0.876 155 M CB 5.049 37.876 32.600 0.378 0.000 1.728 155 M HN 0.535 8.907 8.290 0.137 0.000 0.458 156 N N 0.241 119.043 118.700 0.170 0.000 2.399 156 N HA 0.266 5.147 4.740 0.236 0.000 0.284 156 N C -2.234 173.330 175.510 0.090 0.000 1.025 156 N CA -0.118 53.030 53.050 0.163 0.000 0.885 156 N CB 2.685 41.212 38.487 0.067 0.000 1.339 156 N HN 0.215 8.631 8.380 0.060 0.000 0.487 157 F N 3.685 123.650 119.950 0.025 0.000 2.469 157 F HA 0.305 4.846 4.527 0.024 0.000 0.332 157 F C -1.064 174.749 175.800 0.021 0.000 1.103 157 F CA -1.411 56.603 58.000 0.023 0.000 0.979 157 F CB 3.409 42.421 39.000 0.020 0.000 1.137 157 F HN 0.674 9.151 8.300 0.461 0.099 0.463 158 E N 3.294 123.577 120.200 0.139 0.000 2.145 158 E HA 0.310 4.721 4.350 0.102 0.000 0.270 158 E C -0.734 175.927 176.600 0.101 0.000 0.906 158 E CA -0.908 55.548 56.400 0.095 0.000 0.761 158 E CB 2.024 31.748 29.700 0.040 0.000 1.116 158 E HN 0.436 8.841 8.360 0.076 0.000 0.408 159 T N 5.418 120.030 114.554 0.095 0.000 3.014 159 T HA -0.088 4.316 4.350 0.089 0.000 0.263 159 T C 1.211 175.948 174.700 0.062 0.000 1.078 159 T CA 3.024 65.174 62.100 0.082 0.000 1.135 159 T CB 0.041 68.955 68.868 0.078 0.000 0.895 159 T HN 0.207 8.504 8.240 0.095 0.000 0.480 160 A N 0.695 123.548 122.820 0.055 0.000 1.975 160 A HA -0.067 4.277 4.320 0.041 0.000 0.215 160 A C 1.077 178.679 177.584 0.030 0.000 1.170 160 A CA 2.553 54.614 52.037 0.040 0.000 0.656 160 A CB -0.151 18.870 19.000 0.035 0.000 0.821 160 A HN -0.063 8.123 8.150 0.060 0.000 0.449 161 K N -3.761 116.656 120.400 0.029 0.000 2.308 161 K HA 0.042 4.370 4.320 0.013 0.000 0.197 161 K C -0.572 176.039 176.600 0.018 0.000 1.049 161 K CA -0.261 56.036 56.287 0.017 0.000 0.991 161 K CB 0.846 33.351 32.500 0.008 0.000 0.836 161 K HN -0.125 8.146 8.250 0.036 0.000 0.500 162 S N -2.089 113.630 115.700 0.032 0.000 3.667 162 S HA -0.302 4.330 4.470 0.063 -0.124 0.405 162 S C -0.859 173.748 174.600 0.012 0.000 0.913 162 S CA 1.131 59.353 58.200 0.038 0.000 1.288 162 S CB -1.954 61.266 63.200 0.034 0.000 0.905 162 S HN -0.263 7.967 8.310 0.043 0.106 0.550 163 R N -3.422 117.069 120.500 -0.014 0.000 3.170 163 R HA 0.082 4.377 4.340 -0.074 0.000 0.257 163 R C -2.155 174.062 176.300 -0.138 0.000 1.139 163 R CA -0.882 55.178 56.100 -0.067 0.000 1.158 163 R CB 0.984 31.257 30.300 -0.045 0.000 1.269 163 R HN -0.600 7.669 8.270 -0.001 0.000 0.459 164 V N 6.084 125.832 119.914 -0.276 0.000 2.446 164 V HA -0.103 3.942 4.120 -0.407 -0.168 0.276 164 V C 1.083 177.051 176.094 -0.209 0.000 1.030 164 V CA 0.671 62.729 62.300 -0.404 0.000 1.033 164 V CB 0.344 31.729 31.823 -0.730 0.000 0.993 164 V HN 0.478 8.502 8.190 -0.276 0.000 0.477 165 T N 8.749 123.220 114.554 -0.137 0.000 2.529 165 T HA -0.328 3.982 4.350 -0.066 0.000 0.261 165 T C -0.228 174.432 174.700 -0.068 0.000 1.110 165 T CA 2.808 64.862 62.100 -0.076 0.000 1.192 165 T CB 0.479 69.323 68.868 -0.041 0.000 0.864 165 T HN 0.361 8.521 8.240 -0.133 0.000 0.407 166 Q N -1.611 118.159 119.800 -0.050 0.000 2.462 166 Q HA 0.242 4.561 4.340 -0.034 0.000 0.285 166 Q C -2.184 173.828 176.000 0.020 0.000 1.035 166 Q CA -0.559 55.232 55.803 -0.020 0.000 0.799 166 Q CB 4.072 32.808 28.738 -0.003 0.000 1.452 166 Q HN -0.174 8.069 8.270 -0.045 0.000 0.404 167 S N 0.232 115.974 115.700 0.069 0.000 2.532 167 S HA 0.457 5.149 4.470 0.162 -0.125 0.299 167 S C -1.397 173.366 174.600 0.272 0.000 1.105 167 S CA -0.918 57.395 58.200 0.188 0.000 1.018 167 S CB 2.520 65.892 63.200 0.286 0.000 1.021 167 S HN 0.028 8.364 8.310 0.044 0.000 0.483 168 N N 4.421 123.284 118.700 0.272 0.000 2.421 168 N HA 0.394 5.288 4.740 0.257 0.000 0.285 168 N C -1.776 173.977 175.510 0.404 0.000 1.027 168 N CA -0.572 52.643 53.050 0.274 0.000 0.918 168 N CB 2.266 40.834 38.487 0.135 0.000 1.152 168 N HN 0.295 8.800 8.380 0.207 0.000 0.485 169 F N 4.550 124.577 119.950 0.129 0.000 2.495 169 F HA 0.426 5.182 4.527 0.382 0.000 0.327 169 F C -1.741 174.130 175.800 0.119 0.000 1.103 169 F CA -1.681 56.461 58.000 0.237 0.000 0.949 169 F CB 4.120 43.281 39.000 0.268 0.000 1.142 169 F HN 0.546 9.114 8.300 0.447 0.000 0.457 170 A N 2.737 125.615 122.820 0.096 0.000 2.427 170 A HA 0.857 5.427 4.320 0.130 -0.172 0.298 170 A C -2.829 174.732 177.584 -0.038 0.000 1.036 170 A CA -1.189 50.868 52.037 0.034 0.000 0.701 170 A CB 3.915 22.901 19.000 -0.023 0.000 1.250 170 A HN 1.018 9.087 8.150 -0.135 0.000 0.412 171 V N 3.143 123.118 119.914 0.101 0.000 2.817 171 V HA 0.770 5.073 4.120 0.069 -0.141 0.303 171 V C -2.106 174.073 176.094 0.141 0.000 1.151 171 V CA -2.259 60.118 62.300 0.128 0.000 0.929 171 V CB 3.822 35.779 31.823 0.223 0.000 1.030 171 V HN 0.778 8.938 8.190 0.144 0.116 0.427 172 G N 6.469 115.342 108.800 0.120 0.000 2.550 172 G HA2 0.657 4.581 3.960 -0.059 0.000 0.293 172 G HA3 0.657 4.597 3.960 -0.221 -0.112 0.293 172 G C -3.612 171.288 174.900 0.000 0.000 1.402 172 G CA 0.589 45.655 45.100 -0.056 0.000 0.784 172 G HN 0.512 8.892 8.290 0.150 0.000 0.482 173 Y N -6.575 113.608 120.300 -0.195 0.000 2.534 173 Y HA 0.509 5.018 4.550 -0.154 -0.052 0.345 173 Y C -2.495 173.185 175.900 -0.367 0.000 1.031 173 Y CA -2.556 55.407 58.100 -0.229 0.000 1.022 173 Y CB 3.415 41.747 38.460 -0.213 0.000 1.292 173 Y HN 0.355 7.937 8.280 -1.001 0.098 0.459 174 K N 0.840 121.121 120.400 -0.198 0.000 2.293 174 K HA 0.308 4.440 4.320 -0.312 0.000 0.267 174 K C -0.902 175.554 176.600 -0.240 0.000 1.010 174 K CA -1.024 55.120 56.287 -0.238 0.000 0.875 174 K CB 0.554 32.962 32.500 -0.154 0.000 1.106 174 K HN -0.018 8.041 8.250 -0.150 0.101 0.450 175 T N 6.079 120.453 114.554 -0.301 0.000 2.952 175 T HA 0.120 4.316 4.350 -0.258 0.000 0.286 175 T C -0.682 173.914 174.700 -0.174 0.000 1.024 175 T CA -1.026 60.899 62.100 -0.292 0.000 1.029 175 T CB 1.469 70.044 68.868 -0.489 0.000 1.094 175 T HN -0.121 7.897 8.240 -0.370 0.000 0.515 176 D N 0.003 120.336 120.400 -0.112 0.000 2.350 176 D HA -0.140 4.474 4.640 -0.044 0.000 0.216 176 D C 1.086 177.389 176.300 0.006 0.000 0.968 176 D CA 2.492 56.466 54.000 -0.044 0.000 0.894 176 D CB 0.234 41.017 40.800 -0.029 0.000 0.909 176 D HN 0.363 8.658 8.370 -0.124 0.000 0.520 177 E N -2.842 117.372 120.200 0.023 0.000 2.175 177 E HA 0.057 4.475 4.350 0.114 0.000 0.193 177 E C -0.146 176.576 176.600 0.204 0.000 0.962 177 E CA 0.478 56.961 56.400 0.138 0.000 0.981 177 E CB 0.928 30.774 29.700 0.243 0.000 1.093 177 E HN -0.046 8.225 8.360 -0.042 0.063 0.483 178 F N -3.771 116.210 119.950 0.052 0.000 2.575 178 F HA 0.729 5.418 4.527 0.089 -0.108 0.330 178 F C -1.706 174.116 175.800 0.037 0.000 1.056 178 F CA -3.201 54.836 58.000 0.062 0.000 0.964 178 F CB 2.277 41.307 39.000 0.049 0.000 1.258 178 F HN -0.680 7.719 8.300 0.165 0.000 0.484 179 Q N -1.149 118.675 119.800 0.040 0.000 2.333 179 Q HA 0.424 4.521 4.340 -0.406 0.000 0.267 179 Q C -1.371 174.520 176.000 -0.180 0.000 1.012 179 Q CA -1.798 53.900 55.803 -0.176 0.000 0.824 179 Q CB 2.153 30.881 28.738 -0.017 0.000 1.290 179 Q HN 0.448 8.893 8.270 0.291 0.000 0.449 180 L N 4.850 125.705 121.223 -0.614 0.000 2.296 180 L HA 0.376 4.594 4.340 -0.203 0.000 0.286 180 L C -2.129 174.325 176.870 -0.694 0.000 1.023 180 L CA -0.915 53.551 54.840 -0.623 0.000 0.812 180 L CB 2.321 43.627 42.059 -1.255 0.000 1.223 180 L HN 0.662 8.383 8.230 -0.849 0.000 0.421 181 H N 6.886 125.870 119.070 -0.143 0.000 2.924 181 H HA 0.349 4.852 4.556 -0.088 0.000 0.333 181 H C -1.598 173.731 175.328 0.002 0.000 0.979 181 H CA -0.788 55.219 56.048 -0.069 0.000 1.326 181 H CB 4.330 34.068 29.762 -0.040 0.000 1.600 181 H HN 1.041 9.310 8.280 -0.019 0.000 0.520 182 T N 6.890 121.531 114.554 0.143 0.000 2.823 182 T HA 0.410 4.855 4.350 0.159 0.000 0.279 182 T C -1.281 173.519 174.700 0.167 0.000 0.998 182 T CA -0.381 61.815 62.100 0.160 0.000 0.994 182 T CB 1.761 70.733 68.868 0.174 0.000 0.960 182 T HN 0.676 8.883 8.240 0.123 0.107 0.448 183 N N 6.752 125.551 118.700 0.164 0.000 2.425 183 N HA 0.660 5.672 4.740 0.160 -0.176 0.289 183 N C -2.931 172.660 175.510 0.135 0.000 1.074 183 N CA -0.009 53.127 53.050 0.144 0.000 0.905 183 N CB 3.741 42.288 38.487 0.100 0.000 1.586 183 N HN 0.692 9.177 8.380 0.174 0.000 0.490 184 V N 3.813 123.797 119.914 0.115 0.000 2.876 184 V HA 0.803 5.074 4.120 -0.044 -0.177 0.312 184 V C -2.917 173.171 176.094 -0.009 0.000 1.085 184 V CA -3.069 59.215 62.300 -0.027 0.000 0.945 184 V CB 3.961 35.662 31.823 -0.203 0.000 1.017 184 V HN 0.811 9.108 8.190 0.178 0.000 0.428 185 N N 5.799 124.448 118.700 -0.085 0.000 2.405 185 N HA 0.420 5.183 4.740 0.038 0.000 0.299 185 N C -0.111 175.338 175.510 -0.101 0.000 1.075 185 N CA -0.666 52.363 53.050 -0.035 0.000 0.884 185 N CB 2.345 40.825 38.487 -0.011 0.000 1.194 185 N HN 0.678 8.849 8.380 -0.152 0.118 0.491 186 D N 4.689 125.055 120.400 -0.057 0.000 2.357 186 D HA -0.207 4.336 4.640 -0.161 0.000 0.216 186 D C 0.696 176.947 176.300 -0.081 0.000 0.973 186 D CA 2.319 56.263 54.000 -0.093 0.000 0.912 186 D CB 0.308 41.080 40.800 -0.047 0.000 0.900 186 D HN 0.103 8.480 8.370 0.011 0.000 0.501 187 G N -2.523 106.241 108.800 -0.061 0.000 3.496 187 G HA2 0.008 3.946 3.960 -0.037 0.000 0.273 187 G HA3 0.008 3.951 3.960 -0.029 0.000 0.273 187 G C -1.003 173.873 174.900 -0.041 0.000 1.279 187 G CA -0.185 44.890 45.100 -0.042 0.000 1.041 187 G HN -0.111 8.059 8.290 -0.052 0.089 0.539 188 T N -3.824 110.686 114.554 -0.074 0.000 4.039 188 T HA -0.529 3.755 4.350 -0.110 0.000 0.352 188 T C -1.625 173.076 174.700 0.002 0.000 0.756 188 T CA 1.040 63.117 62.100 -0.039 0.000 1.923 188 T CB -1.876 67.027 68.868 0.058 0.000 1.848 188 T HN -0.538 7.528 8.240 -0.109 0.109 0.835 189 E N 0.729 120.869 120.200 -0.100 0.000 2.141 189 E HA 0.610 5.167 4.350 0.141 -0.122 0.259 189 E C -1.808 174.773 176.600 -0.031 0.000 0.883 189 E CA -1.678 54.732 56.400 0.017 0.000 0.744 189 E CB 3.190 32.899 29.700 0.014 0.000 1.150 189 E HN -0.690 7.560 8.360 -0.183 0.000 0.420 190 F N 5.358 125.483 119.950 0.293 0.000 2.404 190 F HA 0.126 4.754 4.527 0.168 0.000 0.345 190 F C -1.048 174.884 175.800 0.220 0.000 1.110 190 F CA -0.124 58.019 58.000 0.239 0.000 1.130 190 F CB 2.411 41.535 39.000 0.206 0.000 1.129 190 F HN 0.548 9.266 8.300 0.696 0.000 0.500 191 G N 2.044 111.031 108.800 0.312 0.000 2.683 191 G HA2 0.583 4.840 3.960 0.243 0.000 0.299 191 G HA3 0.583 4.651 3.960 0.168 -0.007 0.299 191 G C -2.591 172.426 174.900 0.196 0.000 1.432 191 G CA -0.826 44.409 45.100 0.226 0.000 0.978 191 G HN 0.532 8.992 8.290 0.283 0.000 0.513 192 G N 1.075 109.979 108.800 0.173 0.000 2.452 192 G HA2 0.945 4.994 3.960 0.149 0.000 0.324 192 G HA3 0.945 4.988 3.960 0.139 0.000 0.324 192 G C -2.540 172.427 174.900 0.112 0.000 1.214 192 G CA -1.919 43.267 45.100 0.143 0.000 0.947 192 G HN 0.529 8.927 8.290 0.180 0.000 0.478 193 S N 1.962 117.732 115.700 0.117 0.000 2.575 193 S HA 0.914 5.590 4.470 0.074 -0.161 0.278 193 S C -1.611 173.077 174.600 0.146 0.000 1.139 193 S CA -1.248 57.018 58.200 0.111 0.000 0.954 193 S CB 3.213 66.474 63.200 0.103 0.000 1.054 193 S HN 0.638 9.026 8.310 0.130 0.000 0.483 194 I N 1.055 121.709 120.570 0.141 0.000 2.722 194 I HA 0.797 5.283 4.170 0.193 -0.201 0.295 194 I C -2.199 174.046 176.117 0.212 0.000 1.161 194 I CA -0.883 60.523 61.300 0.178 0.000 1.032 194 I CB 5.208 43.298 38.000 0.149 0.000 1.244 194 I HN 0.771 9.043 8.210 0.102 0.000 0.421 195 Y N 6.051 126.421 120.300 0.116 0.000 2.341 195 Y HA 0.322 4.909 4.550 0.062 0.000 0.338 195 Y C -2.324 173.649 175.900 0.121 0.000 0.965 195 Y CA -1.216 56.939 58.100 0.091 0.000 1.108 195 Y CB 3.779 42.284 38.460 0.076 0.000 1.180 195 Y HN 0.527 9.006 8.280 0.331 0.000 0.458 196 Q N 7.187 126.894 119.800 -0.156 0.000 2.323 196 Q HA 0.450 4.867 4.340 0.127 0.000 0.271 196 Q C -2.240 173.693 176.000 -0.113 0.000 1.048 196 Q CA -1.784 54.004 55.803 -0.026 0.000 0.792 196 Q CB 4.696 33.425 28.738 -0.015 0.000 1.280 196 Q HN 0.692 8.665 8.270 -0.494 0.000 0.441 197 K N 6.036 126.451 120.400 0.024 0.000 2.234 197 K HA 0.201 4.515 4.320 -0.010 0.000 0.277 197 K C -1.334 175.283 176.600 0.028 0.000 1.038 197 K CA -0.076 56.231 56.287 0.034 0.000 0.888 197 K CB 0.236 32.796 32.500 0.101 0.000 1.091 197 K HN 0.404 8.709 8.250 0.091 0.000 0.467 198 V N 3.124 123.049 119.914 0.019 0.000 2.232 198 V HA -0.211 3.920 4.120 0.019 0.000 0.239 198 V C 0.247 176.363 176.094 0.036 0.000 1.040 198 V CA 2.248 64.565 62.300 0.027 0.000 0.996 198 V CB 0.327 32.172 31.823 0.037 0.000 0.638 198 V HN 0.171 8.367 8.190 0.011 0.000 0.453 199 N N -4.729 113.998 118.700 0.046 0.000 2.831 199 N HA 0.125 4.886 4.740 0.036 0.000 0.276 199 N C -1.856 173.684 175.510 0.050 0.000 1.416 199 N CA -1.361 51.713 53.050 0.040 0.000 0.799 199 N CB 2.188 40.692 38.487 0.028 0.000 1.554 199 N HN -0.547 7.868 8.380 0.057 0.000 0.541 200 K N 1.328 121.752 120.400 0.040 0.000 2.524 200 K HA -0.162 4.187 4.320 0.048 0.000 0.279 200 K C 0.104 176.734 176.600 0.051 0.000 0.993 200 K CA 1.868 58.181 56.287 0.043 0.000 1.030 200 K CB -0.239 32.279 32.500 0.030 0.000 0.891 200 K HN 0.409 8.678 8.250 0.031 0.000 0.488 201 K N -4.684 115.754 120.400 0.063 0.000 3.088 201 K HA -0.423 4.074 4.320 0.083 -0.127 0.273 201 K C -1.195 175.472 176.600 0.113 0.000 1.111 201 K CA 1.432 57.766 56.287 0.077 0.000 0.803 201 K CB -2.232 30.300 32.500 0.053 0.000 1.226 201 K HN 0.508 8.795 8.250 0.061 0.000 0.485 202 L N -4.098 117.197 121.223 0.120 0.000 2.526 202 L HA 0.257 4.744 4.340 0.246 0.000 0.263 202 L C -1.820 175.124 176.870 0.122 0.000 0.943 202 L CA -0.553 54.388 54.840 0.168 0.000 0.859 202 L CB 3.964 46.114 42.059 0.152 0.000 1.313 202 L HN -0.504 7.752 8.230 0.099 0.034 0.406 203 E N -0.124 120.135 120.200 0.098 0.000 2.343 203 E HA 0.439 4.784 4.350 -0.008 0.000 0.278 203 E C -2.540 173.958 176.600 -0.170 0.000 0.910 203 E CA -1.713 54.690 56.400 0.004 0.000 0.757 203 E CB 3.745 33.546 29.700 0.168 0.000 1.218 203 E HN 0.634 9.064 8.360 0.117 0.000 0.435 204 T N 1.668 116.014 114.554 -0.345 0.000 2.930 204 T HA 0.680 4.948 4.350 -0.312 -0.105 0.290 204 T C -2.342 171.941 174.700 -0.696 0.000 1.052 204 T CA -2.557 59.316 62.100 -0.379 0.000 1.017 204 T CB 2.485 71.249 68.868 -0.173 0.000 1.137 204 T HN 0.778 8.719 8.240 -0.331 0.100 0.511 205 A N 2.423 124.987 122.820 -0.427 0.000 2.539 205 A HA 0.538 4.727 4.320 -0.385 -0.099 0.296 205 A C -3.031 174.464 177.584 -0.148 0.000 1.073 205 A CA -1.277 50.572 52.037 -0.314 0.000 0.700 205 A CB 3.575 22.515 19.000 -0.100 0.000 1.296 205 A HN 0.817 8.805 8.150 -0.271 0.000 0.405 206 V N 0.909 120.768 119.914 -0.091 0.000 2.638 206 V HA 0.755 4.858 4.120 -0.256 -0.136 0.306 206 V C -2.632 173.373 176.094 -0.148 0.000 1.052 206 V CA -1.994 60.217 62.300 -0.150 0.000 0.885 206 V CB 4.602 36.408 31.823 -0.028 0.000 0.999 206 V HN 0.674 8.843 8.190 -0.036 0.000 0.424 207 N N 7.949 126.463 118.700 -0.310 0.000 2.238 207 N HA 0.788 5.632 4.740 -0.066 -0.144 0.302 207 N C -2.417 172.953 175.510 -0.233 0.000 1.072 207 N CA -1.283 51.656 53.050 -0.185 0.000 0.792 207 N CB 4.062 42.472 38.487 -0.128 0.000 1.425 207 N HN 0.813 8.772 8.380 -0.527 0.105 0.478 208 L N -1.853 119.366 121.223 -0.006 0.000 2.436 208 L HA 0.779 5.341 4.340 0.125 -0.147 0.268 208 L C -2.410 174.564 176.870 0.173 0.000 0.974 208 L CA -1.304 53.617 54.840 0.135 0.000 0.826 208 L CB 3.604 45.822 42.059 0.265 0.000 1.291 208 L HN 0.685 8.937 8.230 0.036 0.000 0.406 209 A N 1.440 124.376 122.820 0.193 0.000 2.318 209 A HA 0.535 4.984 4.320 0.215 0.000 0.324 209 A C -2.079 175.688 177.584 0.304 0.000 1.170 209 A CA -1.334 50.827 52.037 0.207 0.000 0.810 209 A CB 3.163 22.237 19.000 0.123 0.000 1.198 209 A HN 0.911 9.055 8.150 0.192 0.121 0.484 210 W N 6.030 127.412 121.300 0.136 0.000 2.839 210 W HA 0.422 5.151 4.660 0.115 0.000 0.334 210 W C -2.386 174.229 176.519 0.161 0.000 1.064 210 W CA -1.357 56.077 57.345 0.149 0.000 1.236 210 W CB 4.005 33.568 29.460 0.172 0.000 1.405 210 W HN 1.010 9.436 8.180 0.410 0.000 0.478 211 T N 4.691 118.962 114.554 -0.471 0.000 2.815 211 T HA 0.377 4.705 4.350 -0.037 0.000 0.289 211 T C -1.032 173.383 174.700 -0.475 0.000 1.000 211 T CA -1.384 60.540 62.100 -0.293 0.000 0.958 211 T CB 1.885 70.647 68.868 -0.176 0.000 0.944 211 T HN 0.350 8.134 8.240 -0.761 0.000 0.442 212 A N 6.052 128.816 122.820 -0.093 0.000 2.507 212 A HA -0.201 4.158 4.320 0.065 0.000 0.281 212 A C -0.527 177.029 177.584 -0.047 0.000 1.154 212 A CA 1.264 53.332 52.037 0.053 0.000 0.828 212 A CB -1.028 18.134 19.000 0.271 0.000 1.069 212 A HN 0.577 8.796 8.150 0.116 0.000 0.522 213 G N 2.760 111.487 108.800 -0.122 0.000 3.751 213 G HA2 -0.156 3.783 3.960 -0.035 0.000 0.216 213 G HA3 -0.156 3.753 3.960 -0.086 0.000 0.216 213 G C -0.712 174.118 174.900 -0.117 0.000 0.911 213 G CA 0.042 45.089 45.100 -0.087 0.000 0.869 213 G HN 0.140 8.307 8.290 -0.205 0.000 0.462 214 N N -0.441 118.128 118.700 -0.219 0.000 2.853 214 N HA 0.272 4.944 4.740 -0.114 0.000 0.258 214 N C -1.277 174.061 175.510 -0.286 0.000 1.444 214 N CA -0.420 52.516 53.050 -0.190 0.000 0.837 214 N CB 2.355 40.749 38.487 -0.155 0.000 1.489 214 N HN -0.595 7.579 8.380 -0.343 0.000 0.529 215 S N -0.447 115.159 115.700 -0.156 0.000 2.622 215 S HA 0.052 4.442 4.470 -0.133 0.000 0.236 215 S C -1.282 173.266 174.600 -0.088 0.000 0.956 215 S CA 0.169 58.310 58.200 -0.099 0.000 0.971 215 S CB 0.346 63.551 63.200 0.008 0.000 0.782 215 S HN 0.239 8.489 8.310 -0.099 0.000 0.468 216 N N 2.170 120.773 118.700 -0.162 0.000 2.425 216 N HA 0.090 4.814 4.740 -0.027 0.000 0.268 216 N C -1.400 174.058 175.510 -0.086 0.000 0.991 216 N CA -0.049 52.949 53.050 -0.087 0.000 0.931 216 N CB 1.218 39.660 38.487 -0.075 0.000 1.130 216 N HN -0.325 7.807 8.380 -0.239 0.104 0.493 217 T N 5.364 119.942 114.554 0.040 0.000 2.855 217 T HA 0.391 4.919 4.350 0.116 -0.109 0.281 217 T C -0.195 174.589 174.700 0.140 0.000 1.007 217 T CA -0.744 61.438 62.100 0.137 0.000 1.009 217 T CB 1.455 70.478 68.868 0.259 0.000 0.983 217 T HN 0.222 8.496 8.240 0.056 0.000 0.455 218 R N 5.442 126.035 120.500 0.155 0.000 2.369 218 R HA 0.288 4.705 4.340 0.129 0.000 0.310 218 R C -1.636 174.780 176.300 0.193 0.000 1.141 218 R CA -1.489 54.695 56.100 0.140 0.000 1.116 218 R CB -0.282 30.069 30.300 0.085 0.000 1.135 218 R HN 0.537 8.908 8.270 0.169 0.000 0.529 219 F N 5.220 125.206 119.950 0.060 0.000 2.370 219 F HA 0.442 5.131 4.527 0.066 -0.122 0.324 219 F C -1.279 174.546 175.800 0.042 0.000 1.116 219 F CA -0.658 57.375 58.000 0.056 0.000 1.123 219 F CB 3.486 42.515 39.000 0.049 0.000 1.238 219 F HN -0.288 8.201 8.300 0.315 0.000 0.536 220 G N 0.855 109.206 108.800 -0.748 0.000 2.766 220 G HA2 0.524 4.438 3.960 -0.204 0.000 0.297 220 G HA3 0.524 4.318 3.960 -0.277 0.000 0.297 220 G C -3.010 171.545 174.900 -0.575 0.000 1.431 220 G CA -0.062 44.775 45.100 -0.439 0.000 1.042 220 G HN 0.316 7.635 8.290 -1.619 0.000 0.542 221 I N -1.286 119.125 120.570 -0.265 0.000 2.433 221 I HA 0.875 5.023 4.170 -0.245 -0.126 0.292 221 I C -2.544 173.511 176.117 -0.104 0.000 1.001 221 I CA -2.677 58.520 61.300 -0.171 0.000 1.119 221 I CB 2.925 40.911 38.000 -0.023 0.000 1.289 221 I HN 0.618 8.741 8.210 -0.145 0.000 0.438 222 A N 4.770 127.525 122.820 -0.108 0.000 2.330 222 A HA 0.656 5.036 4.320 -0.072 -0.103 0.327 222 A C -2.107 175.403 177.584 -0.124 0.000 1.155 222 A CA -2.236 49.749 52.037 -0.088 0.000 0.803 222 A CB 3.177 22.146 19.000 -0.051 0.000 1.208 222 A HN 0.937 8.896 8.150 -0.128 0.114 0.477 223 A N 3.613 126.342 122.820 -0.153 0.000 2.304 223 A HA 0.412 4.558 4.320 -0.291 0.000 0.314 223 A C -1.999 175.293 177.584 -0.487 0.000 1.187 223 A CA -1.189 50.653 52.037 -0.326 0.000 0.810 223 A CB 2.494 21.324 19.000 -0.282 0.000 1.183 223 A HN 0.760 8.840 8.150 -0.115 0.000 0.487 224 K N 5.275 125.376 120.400 -0.498 0.000 2.535 224 K HA 0.894 5.258 4.320 -0.262 -0.201 0.253 224 K C -1.732 174.700 176.600 -0.279 0.000 0.953 224 K CA -1.428 54.681 56.287 -0.297 0.000 0.863 224 K CB 3.060 35.574 32.500 0.023 0.000 1.111 224 K HN 0.501 8.500 8.250 -0.418 0.000 0.431 225 Y N 2.976 123.375 120.300 0.166 0.000 2.402 225 Y HA 0.203 4.798 4.550 0.075 0.000 0.332 225 Y C -1.466 174.520 175.900 0.143 0.000 0.960 225 Y CA -2.091 56.077 58.100 0.113 0.000 1.228 225 Y CB 0.849 39.330 38.460 0.035 0.000 1.120 225 Y HN 0.990 9.118 8.280 -0.071 0.109 0.491 226 Q N 5.302 125.241 119.800 0.231 0.000 2.456 226 Q HA 0.487 4.947 4.340 0.200 0.000 0.252 226 Q C -1.952 174.123 176.000 0.126 0.000 1.042 226 Q CA -2.079 53.828 55.803 0.172 0.000 0.766 226 Q CB 2.241 31.058 28.738 0.132 0.000 1.196 226 Q HN 0.140 8.662 8.270 0.215 -0.123 0.504 227 I N 4.152 124.788 120.570 0.110 0.000 3.228 227 I HA 0.064 4.269 4.170 0.058 0.000 0.279 227 I C -1.151 175.001 176.117 0.059 0.000 1.221 227 I CA -0.325 61.014 61.300 0.065 0.000 1.458 227 I CB 0.778 38.797 38.000 0.031 0.000 1.105 227 I HN 0.491 8.781 8.210 0.134 0.000 0.445 228 D N -2.720 117.724 120.400 0.074 0.000 2.648 228 D HA 0.338 5.008 4.640 0.051 0.000 0.244 228 D C -1.989 174.352 176.300 0.069 0.000 1.244 228 D CA -1.778 52.258 54.000 0.061 0.000 0.772 228 D CB -0.592 40.239 40.800 0.051 0.000 1.379 228 D HN -0.752 7.677 8.370 0.097 0.000 0.428 229 P HA -0.050 4.401 4.420 0.051 0.000 0.234 229 P C -0.932 176.399 177.300 0.052 0.000 1.167 229 P CA 1.189 64.319 63.100 0.049 0.000 0.763 229 P CB 0.112 31.832 31.700 0.035 0.000 0.835 230 D N -2.147 118.287 120.400 0.057 0.000 2.249 230 D HA -0.100 4.569 4.640 0.049 0.000 0.205 230 D C -1.441 174.905 176.300 0.077 0.000 0.962 230 D CA 0.938 54.973 54.000 0.058 0.000 0.860 230 D CB 1.155 41.986 40.800 0.052 0.000 0.955 230 D HN 0.087 8.415 8.370 0.057 0.076 0.505 231 A N -2.985 119.898 122.820 0.104 0.000 2.427 231 A HA 0.552 5.129 4.320 0.125 -0.183 0.298 231 A C -2.564 175.140 177.584 0.200 0.000 1.036 231 A CA -1.113 51.016 52.037 0.153 0.000 0.701 231 A CB 2.621 21.739 19.000 0.196 0.000 1.250 231 A HN -0.646 7.580 8.150 0.099 -0.016 0.412 232 C N 1.962 121.379 119.300 0.196 0.000 2.431 232 C HA 0.475 5.092 4.460 0.262 0.000 0.321 232 C C -2.195 172.940 174.990 0.241 0.000 1.202 232 C CA -1.850 57.297 59.018 0.215 0.000 1.398 232 C CB 2.087 29.894 27.740 0.111 0.000 2.047 232 C HN 0.457 8.771 8.230 0.139 0.000 0.465 233 F N 8.278 128.317 119.950 0.148 0.000 2.388 233 F HA 0.229 4.899 4.527 0.238 0.000 0.358 233 F C -1.565 174.269 175.800 0.056 0.000 1.122 233 F CA -0.529 57.584 58.000 0.188 0.000 1.056 233 F CB 2.315 41.508 39.000 0.321 0.000 1.155 233 F HN 0.639 9.236 8.300 0.495 0.000 0.461 234 S N 5.438 121.185 115.700 0.077 0.000 2.774 234 S HA 0.593 5.185 4.470 -0.026 -0.138 0.297 234 S C -1.991 172.587 174.600 -0.036 0.000 1.143 234 S CA -0.864 57.333 58.200 -0.005 0.000 1.090 234 S CB 1.053 64.240 63.200 -0.021 0.000 1.019 234 S HN 0.857 9.159 8.310 -0.012 0.000 0.482 235 A N 7.332 130.130 122.820 -0.036 0.000 2.380 235 A HA 0.352 4.645 4.320 -0.045 0.000 0.315 235 A C -2.454 175.106 177.584 -0.040 0.000 1.101 235 A CA -1.277 50.746 52.037 -0.024 0.000 0.771 235 A CB 3.610 22.641 19.000 0.051 0.000 1.287 235 A HN 1.125 9.226 8.150 -0.080 0.000 0.436 236 K N 0.445 120.824 120.400 -0.034 0.000 2.482 236 K HA 0.482 4.775 4.320 -0.044 0.000 0.251 236 K C -1.786 174.798 176.600 -0.025 0.000 0.936 236 K CA -0.682 55.583 56.287 -0.037 0.000 0.791 236 K CB 3.799 36.273 32.500 -0.043 0.000 1.213 236 K HN 0.492 8.613 8.250 -0.033 0.110 0.428 237 V N 2.811 122.709 119.914 -0.026 0.000 2.925 237 V HA 0.703 4.975 4.120 -0.005 -0.155 0.311 237 V C -1.389 174.692 176.094 -0.021 0.000 1.104 237 V CA -2.107 60.188 62.300 -0.009 0.000 0.954 237 V CB 3.875 35.707 31.823 0.015 0.000 1.022 237 V HN 0.506 8.671 8.190 -0.042 0.000 0.427 238 N N 3.433 122.132 118.700 -0.001 0.000 2.725 238 N HA 0.358 5.156 4.740 -0.029 -0.075 0.312 238 N C -0.258 175.287 175.510 0.058 0.000 1.295 238 N CA -1.160 51.894 53.050 0.007 0.000 0.914 238 N CB 2.430 40.922 38.487 0.009 0.000 1.177 238 N HN 0.924 9.309 8.380 0.008 0.000 0.601 239 N N 0.622 119.378 118.700 0.092 0.000 3.027 239 N HA -0.103 4.731 4.740 0.157 0.000 0.309 239 N C 0.112 175.669 175.510 0.079 0.000 1.222 239 N CA 0.581 53.708 53.050 0.127 0.000 1.187 239 N CB -1.721 36.865 38.487 0.165 0.000 1.458 239 N HN -0.092 8.337 8.380 0.081 0.000 0.535 240 S N -3.294 112.444 115.700 0.063 0.000 3.380 240 S HA -0.352 4.142 4.470 0.040 0.000 0.300 240 S C -0.491 174.130 174.600 0.035 0.000 1.255 240 S CA 1.820 60.047 58.200 0.045 0.000 0.963 240 S CB -0.853 62.372 63.200 0.042 0.000 1.106 240 S HN 0.411 8.709 8.310 0.067 0.053 0.629 241 S N -0.243 115.478 115.700 0.035 0.000 2.468 241 S HA -0.030 4.454 4.470 0.025 0.000 0.226 241 S C -1.351 173.260 174.600 0.018 0.000 1.051 241 S CA 2.064 60.280 58.200 0.026 0.000 0.943 241 S CB 0.675 63.892 63.200 0.028 0.000 0.810 241 S HN 0.126 8.402 8.310 0.041 0.059 0.509 242 L N -1.487 119.746 121.223 0.016 0.000 2.611 242 L HA 0.244 4.590 4.340 0.010 0.000 0.260 242 L C -3.115 173.759 176.870 0.007 0.000 0.924 242 L CA 0.230 55.075 54.840 0.009 0.000 0.901 242 L CB 2.729 44.789 42.059 0.001 0.000 1.369 242 L HN -0.625 7.617 8.230 0.020 0.000 0.415 243 I N 4.215 124.790 120.570 0.008 0.000 2.411 243 I HA 0.365 4.540 4.170 0.009 0.000 0.284 243 I C -1.792 174.326 176.117 0.002 0.000 1.012 243 I CA -1.005 60.301 61.300 0.010 0.000 1.119 243 I CB 1.518 39.530 38.000 0.020 0.000 1.261 243 I HN 0.685 8.900 8.210 0.008 0.000 0.448 244 G N 5.682 114.476 108.800 -0.009 0.000 2.519 244 G HA2 0.962 5.024 3.960 -0.025 0.000 0.307 244 G HA3 0.962 4.899 3.960 -0.038 0.000 0.307 244 G C -2.813 172.066 174.900 -0.034 0.000 1.266 244 G CA -1.479 43.605 45.100 -0.027 0.000 0.970 244 G HN 0.909 9.194 8.290 -0.009 0.000 0.481 245 L N -3.534 117.647 121.223 -0.070 0.000 2.505 245 L HA 0.467 4.774 4.340 -0.056 0.000 0.266 245 L C -2.265 174.418 176.870 -0.311 0.000 0.954 245 L CA -0.492 54.293 54.840 -0.092 0.000 0.852 245 L CB 2.556 44.635 42.059 0.034 0.000 1.282 245 L HN 0.563 8.739 8.230 -0.089 0.000 0.403 246 G N 1.413 110.008 108.800 -0.341 0.000 2.566 246 G HA2 0.870 4.333 3.960 -0.828 0.000 0.311 246 G HA3 0.870 4.619 3.960 -0.350 0.000 0.311 246 G C -2.735 171.834 174.900 -0.552 0.000 1.322 246 G CA -0.628 44.144 45.100 -0.546 0.000 0.969 246 G HN 0.415 8.487 8.290 -0.193 0.103 0.490 247 Y N -1.599 118.487 120.300 -0.357 0.000 2.470 247 Y HA 0.950 5.321 4.550 -0.549 -0.151 0.341 247 Y C -2.106 173.580 175.900 -0.356 0.000 1.021 247 Y CA -3.274 54.450 58.100 -0.626 0.000 1.025 247 Y CB 2.825 40.364 38.460 -1.535 0.000 1.266 247 Y HN 0.758 8.362 8.280 -1.127 0.000 0.448 248 T N 2.046 116.561 114.554 -0.066 0.000 2.863 248 T HA 0.385 4.846 4.350 0.022 -0.098 0.285 248 T C -1.875 172.848 174.700 0.039 0.000 1.009 248 T CA -1.821 60.280 62.100 0.002 0.000 0.989 248 T CB 1.920 70.786 68.868 -0.003 0.000 1.004 248 T HN 0.637 8.821 8.240 -0.093 0.000 0.455 249 Q N 6.989 126.821 119.800 0.053 0.000 2.379 249 Q HA 0.786 5.347 4.340 0.078 -0.174 0.278 249 Q C -2.242 173.793 176.000 0.057 0.000 1.068 249 Q CA -1.177 54.666 55.803 0.067 0.000 0.816 249 Q CB 4.832 33.614 28.738 0.074 0.000 1.387 249 Q HN 0.722 9.021 8.270 0.049 0.000 0.413 250 T N 4.687 119.276 114.554 0.057 0.000 2.815 250 T HA 0.343 4.865 4.350 0.055 -0.139 0.289 250 T C -0.647 174.083 174.700 0.050 0.000 1.000 250 T CA -1.030 61.102 62.100 0.053 0.000 0.958 250 T CB 1.146 70.043 68.868 0.048 0.000 0.944 250 T HN 0.222 8.664 8.240 0.062 -0.165 0.442 251 L N 8.282 129.535 121.223 0.050 0.000 2.435 251 L HA -0.138 4.226 4.340 0.041 0.000 0.258 251 L C 1.066 177.962 176.870 0.042 0.000 1.257 251 L CA 1.064 55.931 54.840 0.044 0.000 0.823 251 L CB 0.988 43.073 42.059 0.044 0.000 1.111 251 L HN 0.308 8.570 8.230 0.055 0.000 0.543 252 K N -0.698 119.724 120.400 0.036 0.000 1.987 252 K HA -0.229 4.109 4.320 0.030 0.000 0.216 252 K C -0.969 175.652 176.600 0.036 0.000 1.051 252 K CA 2.569 58.875 56.287 0.032 0.000 0.942 252 K CB -1.856 30.660 32.500 0.027 0.000 0.722 252 K HN 0.193 8.464 8.250 0.034 0.000 0.444 253 P HA 0.024 4.469 4.420 0.042 0.000 0.288 253 P C -0.063 177.274 177.300 0.062 0.000 1.291 253 P CA -0.478 62.653 63.100 0.051 0.000 0.766 253 P CB 0.393 32.130 31.700 0.063 0.000 1.242 254 G N -1.608 107.236 108.800 0.073 0.000 3.284 254 G HA2 0.053 4.038 3.960 0.041 0.000 0.251 254 G HA3 0.053 4.032 3.960 0.032 0.000 0.251 254 G C -1.133 173.857 174.900 0.149 0.000 0.913 254 G CA -0.155 44.985 45.100 0.068 0.000 1.947 254 G HN 0.149 8.484 8.290 0.075 0.000 0.635 255 I N 2.866 123.515 120.570 0.132 0.000 2.537 255 I HA 0.176 4.492 4.170 0.243 0.000 0.276 255 I C -2.277 173.902 176.117 0.104 0.000 1.063 255 I CA -0.903 60.490 61.300 0.155 0.000 1.144 255 I CB 0.206 38.276 38.000 0.116 0.000 1.252 255 I HN -0.075 8.113 8.210 0.093 0.078 0.480 256 K N 6.115 126.579 120.400 0.107 0.000 2.159 256 K HA 0.501 4.976 4.320 0.064 -0.117 0.266 256 K C -2.129 174.513 176.600 0.070 0.000 0.975 256 K CA -2.042 54.289 56.287 0.074 0.000 0.865 256 K CB 1.943 34.477 32.500 0.057 0.000 1.087 256 K HN 0.224 8.557 8.250 0.139 0.000 0.446 257 L N 2.770 124.026 121.223 0.054 0.000 2.445 257 L HA 0.423 4.789 4.340 0.044 0.000 0.262 257 L C -1.813 175.078 176.870 0.035 0.000 0.974 257 L CA 0.242 55.109 54.840 0.045 0.000 0.822 257 L CB 4.936 47.021 42.059 0.044 0.000 1.339 257 L HN 0.640 8.901 8.230 0.052 0.000 0.409 258 T N 0.125 114.691 114.554 0.020 0.000 2.792 258 T HA 0.436 4.791 4.350 0.007 0.000 0.280 258 T C -1.239 173.453 174.700 -0.014 0.000 0.990 258 T CA -1.147 60.952 62.100 -0.002 0.000 0.960 258 T CB 1.179 70.032 68.868 -0.025 0.000 0.939 258 T HN 0.731 8.982 8.240 0.018 0.000 0.439 259 L N 2.725 123.937 121.223 -0.017 0.000 2.385 259 L HA 0.925 5.386 4.340 -0.047 -0.148 0.273 259 L C -1.578 175.118 176.870 -0.291 0.000 0.990 259 L CA -1.573 53.242 54.840 -0.043 0.000 0.821 259 L CB 2.944 45.061 42.059 0.097 0.000 1.279 259 L HN 0.655 8.892 8.230 0.012 0.000 0.412 260 S N 0.499 116.029 115.700 -0.283 0.000 2.661 260 S HA 0.706 4.756 4.470 -0.829 -0.077 0.285 260 S C -1.783 172.675 174.600 -0.236 0.000 1.138 260 S CA -1.678 56.264 58.200 -0.430 0.000 0.855 260 S CB 3.802 66.819 63.200 -0.306 0.000 1.136 260 S HN 0.915 9.133 8.310 -0.154 0.000 0.484 261 A N -1.212 121.480 122.820 -0.214 0.000 2.515 261 A HA 0.438 4.843 4.320 -0.022 -0.098 0.298 261 A C -2.988 174.567 177.584 -0.049 0.000 1.059 261 A CA -1.017 50.978 52.037 -0.070 0.000 0.698 261 A CB 3.903 22.891 19.000 -0.021 0.000 1.289 261 A HN 1.039 8.905 8.150 -0.293 0.108 0.404 262 L N 1.246 122.468 121.223 -0.003 0.000 2.333 262 L HA 0.520 4.848 4.340 -0.019 0.000 0.280 262 L C -2.697 174.185 176.870 0.020 0.000 1.004 262 L CA -1.290 53.547 54.840 -0.004 0.000 0.820 262 L CB 3.601 45.654 42.059 -0.011 0.000 1.247 262 L HN 0.694 8.812 8.230 0.029 0.129 0.416 263 L N 5.539 126.769 121.223 0.012 0.000 2.343 263 L HA 0.374 4.732 4.340 0.031 0.000 0.278 263 L C -2.172 174.706 176.870 0.013 0.000 0.996 263 L CA -1.466 53.385 54.840 0.019 0.000 0.831 263 L CB 2.512 44.580 42.059 0.016 0.000 1.232 263 L HN 0.869 9.101 8.230 0.003 0.000 0.413 264 D N 3.986 124.395 120.400 0.014 0.000 2.316 264 D HA 0.027 4.673 4.640 0.010 0.000 0.245 264 D C 0.711 177.019 176.300 0.013 0.000 1.171 264 D CA 0.765 54.771 54.000 0.011 0.000 0.856 264 D CB 1.384 42.190 40.800 0.010 0.000 1.090 264 D HN 0.587 8.967 8.370 0.017 0.000 0.476 265 G N 5.593 114.402 108.800 0.015 0.000 2.233 265 G HA2 -0.420 3.551 3.960 0.019 0.000 0.270 265 G HA3 -0.420 3.549 3.960 0.016 0.000 0.270 265 G C -0.722 174.188 174.900 0.016 0.000 1.011 265 G CA 0.880 45.990 45.100 0.017 0.000 0.762 265 G HN 0.573 8.871 8.290 0.014 0.000 0.511 266 K N -5.436 114.973 120.400 0.016 0.000 3.003 266 K HA -0.576 3.751 4.320 0.012 0.000 0.257 266 K C -0.938 175.668 176.600 0.010 0.000 0.958 266 K CA 1.202 57.497 56.287 0.014 0.000 0.707 266 K CB -1.866 30.644 32.500 0.017 0.000 1.279 266 K HN -0.420 7.796 8.250 0.016 0.044 0.479 267 N N -3.050 115.656 118.700 0.010 0.000 2.116 267 N HA 0.134 4.878 4.740 0.006 0.000 0.230 267 N C 0.779 176.293 175.510 0.008 0.000 1.326 267 N CA -0.007 53.048 53.050 0.008 0.000 0.867 267 N CB 1.561 40.054 38.487 0.010 0.000 1.174 267 N HN -0.306 8.061 8.380 0.012 0.019 0.506 268 V N -1.368 118.552 119.914 0.010 0.000 3.306 268 V HA -0.148 3.977 4.120 0.007 0.000 0.264 268 V C 0.583 176.686 176.094 0.015 0.000 1.149 268 V CA 1.982 64.289 62.300 0.012 0.000 1.143 268 V CB -0.290 31.544 31.823 0.017 0.000 0.767 268 V HN -0.579 7.618 8.190 0.012 0.000 0.476 269 N N 0.499 119.201 118.700 0.004 0.000 2.192 269 N HA -0.411 4.310 4.740 -0.030 0.000 0.188 269 N C 0.965 176.471 175.510 -0.006 0.000 1.013 269 N CA 3.070 56.110 53.050 -0.016 0.000 0.863 269 N CB -0.390 38.077 38.487 -0.033 0.000 0.990 269 N HN 0.056 8.381 8.380 0.001 0.055 0.430 270 A N -2.451 120.368 122.820 -0.001 0.000 2.032 270 A HA -0.157 4.163 4.320 0.000 0.000 0.221 270 A C 0.392 177.977 177.584 0.002 0.000 1.165 270 A CA 1.321 53.359 52.037 0.002 0.000 0.645 270 A CB 0.432 19.435 19.000 0.005 0.000 0.807 270 A HN -0.691 7.431 8.150 0.001 0.029 0.453 271 G N -5.158 103.640 108.800 -0.005 0.000 2.927 271 G HA2 -0.106 3.826 3.960 -0.046 0.000 0.234 271 G HA3 -0.106 3.847 3.960 -0.011 0.000 0.234 271 G C -1.067 173.787 174.900 -0.076 0.000 3.444 271 G CA -0.231 44.849 45.100 -0.032 0.000 0.715 271 G HN -0.240 7.891 8.290 -0.001 0.159 0.422 272 G N 0.596 109.317 108.800 -0.130 0.000 5.413 272 G HA2 0.036 3.876 3.960 -0.200 0.000 0.206 272 G HA3 0.036 3.962 3.960 -0.057 0.000 0.206 272 G C -1.422 173.372 174.900 -0.176 0.000 0.794 272 G CA 0.600 45.608 45.100 -0.154 0.000 0.751 272 G HN -0.324 7.921 8.290 -0.075 0.000 0.334 273 H N -1.652 117.253 119.070 -0.276 0.000 2.547 273 H HA 0.074 4.559 4.556 -0.118 0.000 0.362 273 H C -1.370 173.855 175.328 -0.171 0.000 1.181 273 H CA -0.872 55.057 56.048 -0.198 0.000 1.376 273 H CB 1.430 31.077 29.762 -0.192 0.000 1.488 273 H HN -0.411 7.663 8.280 -0.342 0.000 0.583 274 K N -0.353 120.043 120.400 -0.007 0.000 2.208 274 K HA 0.307 4.619 4.320 -0.013 0.000 0.247 274 K C -1.761 174.893 176.600 0.090 0.000 0.953 274 K CA -1.839 54.454 56.287 0.010 0.000 0.837 274 K CB 3.194 35.699 32.500 0.008 0.000 1.131 274 K HN 0.245 8.540 8.250 0.074 0.000 0.431 275 L N 0.285 121.558 121.223 0.083 0.000 2.472 275 L HA 0.296 4.769 4.340 0.045 -0.106 0.260 275 L C -1.983 174.902 176.870 0.026 0.000 0.963 275 L CA -0.259 54.625 54.840 0.074 0.000 0.829 275 L CB 4.559 46.704 42.059 0.144 0.000 1.348 275 L HN 0.361 8.636 8.230 0.075 0.000 0.408 276 G N 2.766 111.558 108.800 -0.013 0.000 2.683 276 G HA2 0.817 4.911 3.960 -0.017 0.000 0.299 276 G HA3 0.817 4.751 3.960 -0.043 0.000 0.299 276 G C -2.713 172.166 174.900 -0.035 0.000 1.432 276 G CA -0.299 44.784 45.100 -0.028 0.000 0.978 276 G HN 0.577 8.736 8.290 -0.032 0.112 0.513 277 L N 3.476 124.688 121.223 -0.019 0.000 2.365 277 L HA 0.905 5.396 4.340 -0.020 -0.163 0.273 277 L C -1.412 175.451 176.870 -0.012 0.000 1.000 277 L CA -1.986 52.847 54.840 -0.012 0.000 0.819 277 L CB 3.114 45.178 42.059 0.008 0.000 1.284 277 L HN 0.844 9.065 8.230 -0.015 0.000 0.418 278 G N 1.177 109.971 108.800 -0.009 0.000 2.723 278 G HA2 0.731 4.925 3.960 -0.001 0.000 0.295 278 G HA3 0.731 4.686 3.960 -0.009 0.000 0.295 278 G C -2.871 172.036 174.900 0.012 0.000 1.464 278 G CA -0.147 44.952 45.100 -0.003 0.000 1.012 278 G HN 0.988 9.165 8.290 -0.010 0.107 0.522 279 L N 0.432 121.669 121.223 0.023 0.000 2.317 279 L HA 0.682 5.048 4.340 0.044 0.000 0.281 279 L C -2.200 174.709 176.870 0.064 0.000 1.024 279 L CA -1.634 53.232 54.840 0.042 0.000 0.810 279 L CB 2.595 44.675 42.059 0.036 0.000 1.240 279 L HN 0.774 9.015 8.230 0.018 0.000 0.427 280 E N 2.984 123.237 120.200 0.089 0.000 2.216 280 E HA 0.604 5.276 4.350 0.107 -0.257 0.260 280 E C -1.968 174.742 176.600 0.184 0.000 0.880 280 E CA -1.539 54.926 56.400 0.107 0.000 0.765 280 E CB 3.512 33.248 29.700 0.061 0.000 1.174 280 E HN -0.359 8.054 8.360 0.088 0.000 0.417 281 F N 6.802 126.762 119.950 0.015 0.000 2.458 281 F HA 0.380 4.915 4.527 0.014 0.000 0.330 281 F C -1.512 174.298 175.800 0.017 0.000 1.082 281 F CA -1.412 56.597 58.000 0.016 0.000 0.995 281 F CB 3.687 42.697 39.000 0.016 0.000 1.170 281 F HN -0.428 8.027 8.300 0.258 0.000 0.478 282 Q N 5.107 124.468 119.800 -0.731 0.000 2.341 282 Q HA 0.188 4.370 4.340 -0.262 0.000 0.268 282 Q C -1.530 174.067 176.000 -0.672 0.000 1.013 282 Q CA -1.232 54.270 55.803 -0.501 0.000 0.798 282 Q CB 2.427 30.980 28.738 -0.309 0.000 1.253 282 Q HN 0.270 7.805 8.270 -1.225 0.000 0.457 283 A N 6.805 129.428 122.820 -0.329 0.000 2.444 283 A HA 0.013 4.205 4.320 -0.215 0.000 0.287 283 A C -0.971 176.522 177.584 -0.152 0.000 1.195 283 A CA 0.427 52.349 52.037 -0.191 0.000 0.858 283 A CB 0.112 19.086 19.000 -0.042 0.000 1.117 283 A HN 0.747 8.781 8.150 -0.193 0.000 0.521 284 L N 4.558 125.690 121.223 -0.151 0.000 2.407 284 L HA 0.193 4.480 4.340 -0.090 0.000 0.261 284 L C -0.806 176.037 176.870 -0.044 0.000 1.108 284 L CA -0.051 54.733 54.840 -0.094 0.000 0.995 284 L CB -0.055 41.945 42.059 -0.098 0.000 1.349 284 L HN 0.260 8.383 8.230 -0.178 0.000 0.423 285 E N 0.000 120.179 120.200 -0.035 0.000 2.725 285 E HA 0.000 4.343 4.350 -0.012 0.000 0.291 285 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 285 E CB 0.000 29.692 29.700 -0.013 0.000 0.812 285 E HN 0.000 8.333 8.360 -0.044 0.000 0.440