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 1s2h_1_A DATA FIRST_RESID 1 DATA SEQUENCE MALQLSREQG ITLRGSAEIV AEFFSFGINS ILYQRGIYPS ETFTRVQKYG DATA SEQUENCE LTLLVTTDLE LIKYLNNVVE QLKDWLYKCS VQKLVVVISN IESGEVLERW DATA SEQUENCE QFDIECDKTA KDDSAPREKS QKAIQDEIRS VIAQITATVT FLPLLEVSCS DATA SEQUENCE FDLLIYTDKD LVVPEKWEES GPQFITNSEE VRLRSFTTTI HKVNSMVAYK DATA SEQUENCE IPVND 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 4.485 4.480 0.009 0.000 0.227 1 M C 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.303 55.300 0.004 0.000 0.988 1 M CB 0.000 32.600 32.600 0.000 0.000 1.302 2 A N 2.371 125.200 122.820 0.014 0.000 2.590 2 A HA 0.451 4.779 4.320 0.013 0.000 0.294 2 A C -2.339 175.255 177.584 0.016 0.000 1.046 2 A CA -0.326 51.721 52.037 0.016 0.000 0.684 2 A CB 1.098 20.112 19.000 0.023 0.000 1.279 2 A HN 0.259 8.418 8.150 0.015 0.000 0.415 3 L N -0.866 120.365 121.223 0.014 0.000 2.309 3 L HA 0.460 4.809 4.340 0.014 0.000 0.261 3 L C -0.034 176.844 176.870 0.014 0.000 1.021 3 L CA -0.503 54.345 54.840 0.013 0.000 0.823 3 L CB 0.956 43.021 42.059 0.010 0.000 1.366 3 L HN -0.031 8.208 8.230 0.014 0.000 0.423 4 Q N -2.634 117.174 119.800 0.013 0.000 2.435 4 Q HA -0.376 3.971 4.340 0.012 0.000 0.286 4 Q C -1.755 174.254 176.000 0.014 0.000 1.229 4 Q CA 0.795 56.605 55.803 0.012 0.000 0.884 4 Q CB -2.095 26.649 28.738 0.010 0.000 1.245 4 Q HN 0.485 8.762 8.270 0.012 0.000 0.488 5 L N -2.069 119.165 121.223 0.017 0.000 2.476 5 L HA 0.142 4.493 4.340 0.018 0.000 0.269 5 L C -0.804 176.080 176.870 0.023 0.000 0.965 5 L CA -0.521 54.331 54.840 0.020 0.000 0.845 5 L CB 1.555 43.628 42.059 0.023 0.000 1.259 5 L HN -0.531 7.689 8.230 0.018 0.020 0.403 6 S N 3.275 118.988 115.700 0.022 0.000 2.601 6 S HA 0.163 4.647 4.470 0.023 0.000 0.271 6 S C 0.474 175.091 174.600 0.028 0.000 1.305 6 S CA -0.420 57.794 58.200 0.023 0.000 1.022 6 S CB 1.064 64.275 63.200 0.018 0.000 0.940 6 S HN 0.196 8.518 8.310 0.019 0.000 0.525 7 R N 5.049 125.567 120.500 0.030 0.000 2.586 7 R HA 0.172 4.536 4.340 0.040 0.000 0.306 7 R C -0.548 175.767 176.300 0.024 0.000 1.079 7 R CA 0.008 56.130 56.100 0.036 0.000 1.083 7 R CB -1.285 29.043 30.300 0.047 0.000 1.306 7 R HN 0.408 8.695 8.270 0.028 0.000 0.567 8 E N -0.067 120.144 120.200 0.019 0.000 2.190 8 E HA -0.127 4.229 4.350 0.010 0.000 0.191 8 E C 0.374 176.979 176.600 0.008 0.000 0.978 8 E CA 1.009 57.416 56.400 0.012 0.000 0.839 8 E CB 0.696 30.402 29.700 0.011 0.000 0.787 8 E HN -0.447 7.828 8.360 0.020 0.096 0.473 9 Q N -2.435 117.372 119.800 0.012 0.000 2.925 9 Q HA 0.107 4.450 4.340 0.006 0.000 0.276 9 Q C -1.054 174.956 176.000 0.017 0.000 0.711 9 Q CA -0.398 55.411 55.803 0.010 0.000 1.021 9 Q CB 1.285 30.027 28.738 0.007 0.000 1.494 9 Q HN -0.198 8.082 8.270 0.016 0.000 0.367 10 G N -0.008 108.806 108.800 0.024 0.000 2.599 10 G HA2 0.082 4.060 3.960 0.029 0.000 0.264 10 G HA3 0.082 4.068 3.960 0.042 0.000 0.264 10 G C -0.719 174.203 174.900 0.037 0.000 1.200 10 G CA -0.558 44.562 45.100 0.033 0.000 0.896 10 G HN -0.329 7.976 8.290 0.024 0.000 0.536 11 I N -1.514 119.081 120.570 0.041 0.000 4.139 11 I HA 0.077 4.273 4.170 0.044 0.000 0.320 11 I C 1.386 177.539 176.117 0.060 0.000 1.290 11 I CA 0.401 61.727 61.300 0.045 0.000 1.253 11 I CB 0.128 38.149 38.000 0.034 0.000 1.122 11 I HN 0.081 8.315 8.210 0.039 0.000 0.421 12 T N 3.034 117.625 114.554 0.062 0.000 2.508 12 T HA -0.265 4.118 4.350 0.055 0.000 0.249 12 T C 1.588 176.356 174.700 0.112 0.000 1.173 12 T CA 2.593 64.734 62.100 0.068 0.000 1.275 12 T CB -0.466 68.436 68.868 0.055 0.000 0.883 12 T HN -0.068 8.204 8.240 0.054 0.000 0.394 13 L N -0.640 120.675 121.223 0.154 0.000 2.049 13 L HA 0.030 4.543 4.340 0.288 0.000 0.203 13 L C 2.222 179.307 176.870 0.359 0.000 1.074 13 L CA 2.758 57.786 54.840 0.315 0.000 0.749 13 L CB -0.678 41.581 42.059 0.333 0.000 0.907 13 L HN -0.242 8.063 8.230 0.125 0.000 0.439 14 R N 0.624 121.233 120.500 0.182 0.000 2.133 14 R HA -0.442 3.843 4.340 -0.092 0.000 0.247 14 R C 2.125 178.440 176.300 0.025 0.000 1.151 14 R CA 3.255 59.373 56.100 0.029 0.000 0.971 14 R CB -0.789 29.524 30.300 0.023 0.000 0.866 14 R HN 0.317 8.688 8.270 0.167 0.000 0.447 15 G N -2.916 105.933 108.800 0.081 0.000 2.453 15 G HA2 -0.271 3.724 3.960 0.058 0.000 0.215 15 G HA3 -0.271 3.896 3.960 0.088 -0.153 0.215 15 G C 1.367 176.346 174.900 0.131 0.000 1.201 15 G CA 1.794 46.945 45.100 0.085 0.000 0.784 15 G HN 0.065 8.311 8.290 0.098 0.102 0.545 16 S N 3.123 118.944 115.700 0.202 0.000 2.399 16 S HA -0.332 4.361 4.470 0.371 0.000 0.231 16 S C 1.900 176.674 174.600 0.289 0.000 1.022 16 S CA 3.608 62.007 58.200 0.330 0.000 0.983 16 S CB -0.318 63.101 63.200 0.364 0.000 0.803 16 S HN -0.797 7.630 8.310 0.195 0.000 0.480 17 A N 1.662 124.543 122.820 0.102 0.000 1.968 17 A HA -0.185 3.983 4.320 -0.253 0.000 0.217 17 A C 1.617 179.110 177.584 -0.151 0.000 1.169 17 A CA 2.759 54.591 52.037 -0.341 0.000 0.638 17 A CB -0.658 17.598 19.000 -1.241 0.000 0.812 17 A HN 0.738 8.759 8.150 0.135 0.210 0.446 18 E N 0.080 120.253 120.200 -0.045 0.000 2.051 18 E HA -0.356 3.974 4.350 -0.032 0.000 0.192 18 E C 1.959 178.604 176.600 0.075 0.000 0.991 18 E CA 3.201 59.601 56.400 0.001 0.000 0.799 18 E CB 0.044 29.752 29.700 0.013 0.000 0.748 18 E HN -0.055 8.064 8.360 -0.015 0.233 0.449 19 I N 0.074 120.723 120.570 0.132 0.000 2.113 19 I HA -0.395 3.902 4.170 0.210 0.000 0.238 19 I C 2.052 178.337 176.117 0.280 0.000 1.070 19 I CA 3.289 64.720 61.300 0.219 0.000 1.332 19 I CB -0.389 37.761 38.000 0.251 0.000 1.044 19 I HN -0.589 7.702 8.210 0.136 0.000 0.402 20 V N -0.645 119.374 119.914 0.174 0.000 2.469 20 V HA -0.577 3.622 4.120 0.130 0.000 0.251 20 V C 1.965 178.181 176.094 0.203 0.000 1.064 20 V CA 4.586 66.976 62.300 0.150 0.000 1.066 20 V CB -0.620 31.267 31.823 0.107 0.000 0.667 20 V HN -0.285 7.997 8.190 0.152 0.000 0.461 21 A N -0.181 122.713 122.820 0.122 0.000 1.872 21 A HA -0.264 4.102 4.320 0.077 0.000 0.214 21 A C 2.025 179.759 177.584 0.250 0.000 1.187 21 A CA 3.476 55.579 52.037 0.110 0.000 0.614 21 A CB -0.871 18.119 19.000 -0.017 0.000 0.826 21 A HN 0.567 8.539 8.150 0.072 0.221 0.442 22 E N -0.866 119.480 120.200 0.244 0.000 2.106 22 E HA -0.257 4.228 4.350 0.226 0.000 0.192 22 E C 2.453 179.327 176.600 0.455 0.000 0.984 22 E CA 2.425 59.010 56.400 0.308 0.000 0.806 22 E CB -0.201 29.653 29.700 0.258 0.000 0.750 22 E HN 0.144 8.510 8.360 0.198 0.113 0.458 23 F N 1.436 121.565 119.950 0.299 0.000 2.126 23 F HA -0.322 4.211 4.527 0.011 0.000 0.299 23 F C 1.994 177.826 175.800 0.053 0.000 1.096 23 F CA 3.232 61.300 58.000 0.113 0.000 1.255 23 F CB 0.061 39.071 39.000 0.016 0.000 0.997 23 F HN 0.775 9.256 8.300 0.522 0.132 0.479 24 F N 0.010 120.118 119.950 0.265 0.000 2.098 24 F HA -0.390 4.179 4.527 0.070 0.000 0.294 24 F C 1.486 177.297 175.800 0.019 0.000 1.107 24 F CA 2.967 61.033 58.000 0.110 0.000 1.234 24 F CB 0.403 39.469 39.000 0.110 0.000 1.002 24 F HN -0.096 8.432 8.300 0.546 0.100 0.472 25 S N 0.869 116.559 115.700 -0.016 0.000 2.359 25 S HA -0.445 3.665 4.470 -0.600 0.000 0.223 25 S C 2.338 176.763 174.600 -0.292 0.000 1.039 25 S CA 3.935 61.984 58.200 -0.252 0.000 1.042 25 S CB -0.371 62.831 63.200 0.003 0.000 0.915 25 S HN -0.014 8.583 8.310 0.478 0.000 0.439 26 F N 2.083 121.922 119.950 -0.186 0.000 2.102 26 F HA -0.251 4.169 4.527 -0.178 0.000 0.298 26 F C 2.256 177.853 175.800 -0.338 0.000 1.105 26 F CA 3.810 61.681 58.000 -0.216 0.000 1.239 26 F CB -0.183 38.717 39.000 -0.166 0.000 0.991 26 F HN 0.507 8.785 8.300 0.147 0.110 0.474 27 G N -0.961 107.734 108.800 -0.175 0.000 2.422 27 G HA2 -0.353 3.404 3.960 -0.338 0.000 0.218 27 G HA3 -0.353 3.385 3.960 -0.370 0.000 0.218 27 G C 1.657 176.243 174.900 -0.523 0.000 1.146 27 G CA 2.184 47.066 45.100 -0.364 0.000 0.769 27 G HN -0.114 7.947 8.290 -0.105 0.165 0.547 28 I N 1.704 121.910 120.570 -0.607 0.000 2.233 28 I HA -0.476 3.385 4.170 -0.515 0.000 0.243 28 I C 1.688 177.663 176.117 -0.236 0.000 1.093 28 I CA 3.574 64.567 61.300 -0.512 0.000 1.380 28 I CB -0.852 36.727 38.000 -0.702 0.000 1.067 28 I HN 0.525 8.127 8.210 -0.679 0.201 0.413 29 N N 0.389 118.949 118.700 -0.234 0.000 2.084 29 N HA -0.343 4.379 4.740 -0.031 0.000 0.190 29 N C 2.572 177.999 175.510 -0.137 0.000 1.030 29 N CA 3.720 56.691 53.050 -0.132 0.000 0.849 29 N CB 0.094 38.462 38.487 -0.199 0.000 1.012 29 N HN 0.294 8.371 8.380 -0.319 0.111 0.423 30 S N 0.129 115.723 115.700 -0.176 0.000 2.374 30 S HA -0.260 4.088 4.470 -0.202 0.000 0.227 30 S C 2.032 176.491 174.600 -0.235 0.000 1.037 30 S CA 3.936 62.010 58.200 -0.210 0.000 1.024 30 S CB -0.277 62.785 63.200 -0.229 0.000 0.861 30 S HN 0.256 8.351 8.310 -0.172 0.112 0.456 31 I N 0.376 120.768 120.570 -0.297 0.000 2.493 31 I HA -0.411 3.557 4.170 -0.338 0.000 0.254 31 I C 1.179 177.246 176.117 -0.083 0.000 1.160 31 I CA 3.410 64.523 61.300 -0.311 0.000 1.445 31 I CB -0.373 37.296 38.000 -0.553 0.000 1.086 31 I HN -0.434 7.475 8.210 -0.339 0.097 0.433 32 L N -1.019 120.193 121.223 -0.018 0.000 2.083 32 L HA -0.379 3.977 4.340 0.027 0.000 0.209 32 L C 2.347 179.265 176.870 0.081 0.000 1.083 32 L CA 3.635 58.506 54.840 0.052 0.000 0.752 32 L CB -1.143 41.006 42.059 0.151 0.000 0.899 32 L HN -0.289 7.762 8.230 -0.048 0.150 0.433 33 Y N -0.113 120.086 120.300 -0.168 0.000 2.133 33 Y HA -0.334 4.322 4.550 0.178 0.000 0.287 33 Y C 1.696 177.596 175.900 0.000 0.000 1.134 33 Y CA 2.051 60.048 58.100 -0.173 0.000 1.133 33 Y CB -0.488 37.523 38.460 -0.748 0.000 0.987 33 Y HN -0.846 7.313 8.280 -0.016 0.112 0.502 34 Q N -2.211 117.722 119.800 0.222 0.000 2.020 34 Q HA -0.324 4.138 4.340 0.203 0.000 0.202 34 Q C 2.472 178.581 176.000 0.180 0.000 0.982 34 Q CA 2.646 58.540 55.803 0.151 0.000 0.838 34 Q CB -0.093 28.647 28.738 0.004 0.000 0.899 34 Q HN -0.347 7.899 8.270 0.050 0.054 0.423 35 R N -3.675 116.906 120.500 0.135 0.000 2.090 35 R HA -0.161 4.292 4.340 0.190 0.000 0.228 35 R C 0.806 177.178 176.300 0.119 0.000 1.110 35 R CA 0.057 56.247 56.100 0.150 0.000 0.973 35 R CB 0.722 31.111 30.300 0.149 0.000 0.869 35 R HN 0.336 8.525 8.270 0.078 0.128 0.440 36 G N -3.041 105.818 108.800 0.098 0.000 2.203 36 G HA2 -0.245 3.784 3.960 0.030 0.000 0.231 36 G HA3 -0.245 3.745 3.960 0.050 0.000 0.231 36 G C 0.394 175.304 174.900 0.017 0.000 1.058 36 G CA -0.038 45.091 45.100 0.048 0.000 0.781 36 G HN -0.207 8.036 8.290 0.108 0.111 0.496 37 I N -0.953 119.626 120.570 0.014 0.000 2.623 37 I HA -0.380 3.761 4.170 -0.048 0.000 0.261 37 I C -1.334 174.875 176.117 0.154 0.000 1.204 37 I CA 2.249 63.543 61.300 -0.011 0.000 1.444 37 I CB -0.316 37.545 38.000 -0.232 0.000 1.094 37 I HN -0.631 7.588 8.210 0.014 0.000 0.451 38 Y N -8.144 112.115 120.300 -0.069 0.000 2.852 38 Y HA 0.232 4.744 4.550 -0.064 0.000 0.350 38 Y C -3.505 172.354 175.900 -0.067 0.000 1.272 38 Y CA -3.079 54.983 58.100 -0.063 0.000 1.086 38 Y CB -1.296 37.124 38.460 -0.066 0.000 1.408 38 Y HN -0.959 7.239 8.280 -0.033 0.061 0.447 39 P HA -0.030 4.227 4.420 -0.271 0.000 0.255 39 P C -0.045 176.857 177.300 -0.665 0.000 1.151 39 P CA 0.680 63.588 63.100 -0.319 0.000 0.767 39 P CB 0.220 31.853 31.700 -0.111 0.000 0.736 40 S N 5.223 120.467 115.700 -0.761 0.000 2.447 40 S HA -0.327 3.190 4.470 -1.588 0.000 0.233 40 S C 1.792 175.475 174.600 -1.528 0.000 1.006 40 S CA 3.052 60.322 58.200 -1.551 0.000 0.957 40 S CB 0.032 62.314 63.200 -1.530 0.000 0.773 40 S HN 0.372 8.342 8.310 -0.566 0.000 0.507 41 E N 0.549 120.298 120.200 -0.753 0.000 2.455 41 E HA -0.196 3.870 4.350 -0.474 0.000 0.202 41 E C 0.352 176.767 176.600 -0.308 0.000 1.045 41 E CA 1.861 57.986 56.400 -0.459 0.000 0.872 41 E CB -0.208 29.334 29.700 -0.264 0.000 0.792 41 E HN -0.060 7.902 8.360 -0.591 0.043 0.542 42 T N -3.666 110.706 114.554 -0.302 0.000 3.284 42 T HA 0.092 4.445 4.350 0.004 0.000 0.249 42 T C -1.254 173.548 174.700 0.170 0.000 0.944 42 T CA -0.329 61.761 62.100 -0.016 0.000 0.919 42 T CB 0.013 68.974 68.868 0.156 0.000 1.089 42 T HN -0.553 7.288 8.240 -0.504 0.097 0.576 43 F N 3.018 122.900 119.950 -0.112 0.000 2.408 43 F HA 1.028 5.750 4.527 -0.058 -0.229 0.325 43 F C 0.923 176.709 175.800 -0.024 0.000 1.082 43 F CA -3.462 54.491 58.000 -0.079 0.000 1.032 43 F CB 1.583 40.509 39.000 -0.123 0.000 1.259 43 F HN -0.497 7.647 8.300 -0.096 0.099 0.503 44 T N 1.907 116.576 114.554 0.191 0.000 3.109 44 T HA 0.108 4.524 4.350 0.110 0.000 0.311 44 T C -1.583 173.173 174.700 0.094 0.000 1.011 44 T CA -1.515 60.651 62.100 0.109 0.000 1.026 44 T CB 1.866 70.771 68.868 0.062 0.000 1.047 44 T HN 0.858 9.094 8.240 0.153 0.097 0.448 45 R N 7.508 128.065 120.500 0.096 0.000 2.438 45 R HA -0.004 4.392 4.340 0.092 0.000 0.287 45 R C -0.793 175.557 176.300 0.084 0.000 1.077 45 R CA 0.482 56.634 56.100 0.087 0.000 1.034 45 R CB 0.485 30.830 30.300 0.076 0.000 0.993 45 R HN 0.312 8.638 8.270 0.094 0.000 0.459 46 V N 1.243 121.222 119.914 0.108 0.000 3.087 46 V HA 0.468 4.639 4.120 0.084 0.000 0.306 46 V C -2.642 173.500 176.094 0.080 0.000 1.187 46 V CA -1.385 60.991 62.300 0.126 0.000 0.999 46 V CB 4.424 36.388 31.823 0.236 0.000 1.049 46 V HN 0.842 8.995 8.190 0.109 0.102 0.431 47 Q N 4.295 124.121 119.800 0.043 0.000 2.368 47 Q HA 0.324 4.777 4.340 -0.049 -0.143 0.263 47 Q C -1.140 174.836 176.000 -0.040 0.000 1.009 47 Q CA -0.741 55.051 55.803 -0.018 0.000 0.818 47 Q CB 1.437 30.164 28.738 -0.018 0.000 1.239 47 Q HN 0.371 8.673 8.270 0.053 0.000 0.464 48 K N 5.106 125.440 120.400 -0.110 0.000 2.509 48 K HA 0.328 4.552 4.320 -0.161 0.000 0.266 48 K C -1.156 175.401 176.600 -0.071 0.000 0.987 48 K CA -1.407 54.781 56.287 -0.164 0.000 0.868 48 K CB 3.449 35.811 32.500 -0.231 0.000 1.421 48 K HN 0.438 8.598 8.250 -0.151 0.000 0.444 49 Y N -3.147 117.012 120.300 -0.234 0.000 4.819 49 Y HA -0.376 4.077 4.550 -0.162 0.000 0.230 49 Y C -0.733 175.065 175.900 -0.170 0.000 1.009 49 Y CA 1.499 59.465 58.100 -0.223 0.000 1.971 49 Y CB -2.240 36.007 38.460 -0.356 0.000 1.587 49 Y HN 0.583 8.546 8.280 -0.528 0.000 0.587 50 G N -6.496 102.286 108.800 -0.031 0.000 2.194 50 G HA2 -0.299 3.638 3.960 -0.039 0.000 0.236 50 G HA3 -0.299 3.834 3.960 -0.023 -0.186 0.236 50 G C -1.437 173.433 174.900 -0.050 0.000 0.987 50 G CA -0.069 45.010 45.100 -0.035 0.000 0.635 50 G HN -0.335 7.834 8.290 -0.065 0.083 0.520 51 L N -4.911 116.268 121.223 -0.073 0.000 2.327 51 L HA 0.744 5.040 4.340 -0.074 0.000 0.258 51 L C -1.823 174.976 176.870 -0.118 0.000 1.024 51 L CA -3.053 51.729 54.840 -0.097 0.000 0.825 51 L CB 0.580 42.564 42.059 -0.124 0.000 1.386 51 L HN -0.130 7.888 8.230 -0.068 0.171 0.417 52 T N 1.700 116.192 114.554 -0.103 0.000 2.817 52 T HA 0.358 4.798 4.350 -0.077 -0.136 0.293 52 T C 0.080 174.703 174.700 -0.129 0.000 0.964 52 T CA 0.318 62.364 62.100 -0.090 0.000 1.085 52 T CB -0.007 68.831 68.868 -0.050 0.000 0.921 52 T HN -0.046 8.140 8.240 -0.089 0.000 0.502 53 L N 2.921 124.072 121.223 -0.119 0.000 2.393 53 L HA 0.493 4.742 4.340 -0.152 0.000 0.260 53 L C -2.002 174.893 176.870 0.043 0.000 1.002 53 L CA -1.546 53.222 54.840 -0.121 0.000 0.818 53 L CB 2.497 44.358 42.059 -0.330 0.000 1.369 53 L HN 1.078 9.146 8.230 -0.072 0.119 0.412 54 L N -0.070 121.151 121.223 -0.002 0.000 2.416 54 L HA 0.346 4.829 4.340 0.063 -0.105 0.262 54 L C -0.883 175.993 176.870 0.011 0.000 1.093 54 L CA 0.132 54.978 54.840 0.011 0.000 0.801 54 L CB 2.013 44.051 42.059 -0.034 0.000 1.191 54 L HN 0.410 8.582 8.230 -0.097 0.000 0.459 55 V N -2.794 117.085 119.914 -0.058 0.000 3.216 55 V HA 0.236 4.269 4.120 -0.146 0.000 0.302 55 V C -1.699 174.350 176.094 -0.074 0.000 1.286 55 V CA -1.609 60.623 62.300 -0.113 0.000 1.048 55 V CB 4.612 36.334 31.823 -0.169 0.000 1.081 55 V HN 0.135 8.225 8.190 -0.032 0.080 0.442 56 T N 2.660 117.201 114.554 -0.023 0.000 2.743 56 T HA 0.700 5.403 4.350 0.259 -0.198 0.292 56 T C 1.338 176.122 174.700 0.140 0.000 0.972 56 T CA -1.665 60.531 62.100 0.160 0.000 0.967 56 T CB 0.706 69.745 68.868 0.286 0.000 0.926 56 T HN 0.997 9.611 8.240 -0.072 -0.417 0.459 57 T N 3.777 118.425 114.554 0.156 0.000 3.607 57 T HA 0.018 4.396 4.350 0.046 0.000 0.225 57 T C -0.793 173.975 174.700 0.113 0.000 0.904 57 T CA -1.465 60.692 62.100 0.094 0.000 0.962 57 T CB -0.897 68.014 68.868 0.072 0.000 1.221 57 T HN 1.023 9.259 8.240 0.195 0.120 0.641 58 D N 2.459 122.939 120.400 0.133 0.000 2.280 58 D HA 0.170 4.852 4.640 0.071 0.000 0.243 58 D C 0.124 176.429 176.300 0.008 0.000 1.129 58 D CA -0.358 53.677 54.000 0.059 0.000 0.848 58 D CB 1.549 42.311 40.800 -0.064 0.000 1.107 58 D HN -0.560 7.806 8.370 0.150 0.094 0.471 59 L N 5.513 126.736 121.223 -0.001 0.000 2.093 59 L HA -0.333 4.008 4.340 0.001 0.000 0.208 59 L C 1.737 178.606 176.870 -0.000 0.000 1.085 59 L CA 3.834 58.673 54.840 -0.001 0.000 0.755 59 L CB 0.227 42.286 42.059 0.000 0.000 0.904 59 L HN 0.544 8.776 8.230 0.003 0.000 0.435 60 E N -0.716 119.473 120.200 -0.019 0.000 2.047 60 E HA -0.203 4.157 4.350 0.018 0.000 0.191 60 E C 2.623 179.261 176.600 0.063 0.000 0.987 60 E CA 2.965 59.364 56.400 -0.002 0.000 0.799 60 E CB -0.433 29.236 29.700 -0.052 0.000 0.752 60 E HN 0.134 8.455 8.360 -0.045 0.012 0.449 61 L N 0.002 121.248 121.223 0.038 0.000 2.027 61 L HA -0.264 4.378 4.340 0.504 0.000 0.206 61 L C 1.804 178.724 176.870 0.084 0.000 1.074 61 L CA 2.952 57.918 54.840 0.210 0.000 0.745 61 L CB -0.179 41.948 42.059 0.114 0.000 0.898 61 L HN -0.347 7.844 8.230 -0.065 0.000 0.433 62 I N -1.513 119.062 120.570 0.007 0.000 2.264 62 I HA -0.642 3.472 4.170 -0.094 0.000 0.248 62 I C 1.959 178.054 176.117 -0.036 0.000 1.111 62 I CA 4.431 65.704 61.300 -0.045 0.000 1.382 62 I CB -0.386 37.595 38.000 -0.031 0.000 1.060 62 I HN 0.744 8.830 8.210 0.012 0.131 0.418 63 K N -1.099 119.312 120.400 0.018 0.000 2.228 63 K HA -0.252 4.079 4.320 0.018 0.000 0.202 63 K C 2.484 179.139 176.600 0.092 0.000 1.051 63 K CA 2.607 58.919 56.287 0.041 0.000 0.960 63 K CB -0.402 32.127 32.500 0.049 0.000 0.743 63 K HN -0.189 7.871 8.250 0.032 0.208 0.458 64 Y N 1.113 121.442 120.300 0.048 0.000 2.163 64 Y HA -0.249 4.346 4.550 0.075 0.000 0.288 64 Y C 1.626 177.592 175.900 0.110 0.000 1.136 64 Y CA 2.400 60.549 58.100 0.082 0.000 1.147 64 Y CB -0.563 37.957 38.460 0.102 0.000 0.987 64 Y HN -0.220 7.931 8.280 0.198 0.248 0.509 65 L N -2.104 118.748 121.223 -0.618 0.000 2.240 65 L HA -0.372 3.676 4.340 -0.487 0.000 0.211 65 L C 2.275 179.062 176.870 -0.138 0.000 1.106 65 L CA 2.356 56.894 54.840 -0.503 0.000 0.793 65 L CB -0.607 41.143 42.059 -0.515 0.000 0.927 65 L HN 0.629 8.425 8.230 -0.547 0.106 0.446 66 N N 0.295 118.942 118.700 -0.088 0.000 2.058 66 N HA -0.392 4.324 4.740 -0.040 0.000 0.191 66 N C 1.824 177.330 175.510 -0.006 0.000 1.037 66 N CA 4.173 57.202 53.050 -0.035 0.000 0.848 66 N CB -0.064 38.412 38.487 -0.018 0.000 1.021 66 N HN 0.234 8.341 8.380 -0.097 0.215 0.422 67 N N 0.056 118.773 118.700 0.029 0.000 2.166 67 N HA -0.187 4.582 4.740 0.048 0.000 0.186 67 N C 2.456 178.007 175.510 0.068 0.000 1.019 67 N CA 2.987 56.074 53.050 0.061 0.000 0.856 67 N CB -0.198 38.346 38.487 0.094 0.000 0.993 67 N HN -0.545 7.857 8.380 0.038 0.000 0.426 68 V N 0.844 120.793 119.914 0.057 0.000 2.358 68 V HA -0.409 3.754 4.120 0.072 0.000 0.246 68 V C 1.790 177.802 176.094 -0.138 0.000 1.047 68 V CA 4.448 66.751 62.300 0.005 0.000 1.035 68 V CB 0.047 31.893 31.823 0.038 0.000 0.658 68 V HN -0.567 7.582 8.190 0.058 0.076 0.452 69 V N 0.447 120.292 119.914 -0.116 0.000 2.358 69 V HA -0.590 3.366 4.120 -0.274 0.000 0.246 69 V C 1.918 177.946 176.094 -0.111 0.000 1.047 69 V CA 4.686 66.897 62.300 -0.150 0.000 1.035 69 V CB -0.322 31.464 31.823 -0.061 0.000 0.658 69 V HN 0.635 8.660 8.190 -0.064 0.127 0.452 70 E N -0.595 119.576 120.200 -0.048 0.000 2.058 70 E HA -0.397 3.934 4.350 -0.032 0.000 0.194 70 E C 2.316 178.920 176.600 0.007 0.000 0.997 70 E CA 3.440 59.830 56.400 -0.018 0.000 0.801 70 E CB -0.305 29.401 29.700 0.010 0.000 0.746 70 E HN 0.008 8.349 8.360 -0.032 0.000 0.450 71 Q N -0.370 119.459 119.800 0.048 0.000 2.083 71 Q HA -0.228 4.211 4.340 0.165 0.000 0.198 71 Q C 2.847 178.878 176.000 0.051 0.000 0.969 71 Q CA 3.157 59.053 55.803 0.156 0.000 0.838 71 Q CB -0.020 28.939 28.738 0.369 0.000 0.900 71 Q HN -0.278 8.019 8.270 0.045 0.000 0.436 72 L N -0.295 120.815 121.223 -0.189 0.000 2.137 72 L HA -0.449 3.496 4.340 -0.658 0.000 0.213 72 L C 1.787 178.549 176.870 -0.181 0.000 1.085 72 L CA 3.609 58.217 54.840 -0.387 0.000 0.760 72 L CB -0.352 41.416 42.059 -0.486 0.000 0.893 72 L HN 0.629 8.562 8.230 -0.182 0.188 0.434 73 K N -1.805 118.529 120.400 -0.110 0.000 2.007 73 K HA -0.331 3.906 4.320 -0.139 0.000 0.206 73 K C 1.327 177.980 176.600 0.088 0.000 1.047 73 K CA 3.645 59.893 56.287 -0.065 0.000 0.937 73 K CB -0.347 32.093 32.500 -0.101 0.000 0.718 73 K HN -0.653 7.405 8.250 -0.108 0.128 0.438 74 D N -2.773 117.683 120.400 0.094 0.000 2.091 74 D HA -0.085 4.632 4.640 0.128 0.000 0.199 74 D C 2.060 178.486 176.300 0.210 0.000 0.980 74 D CA 3.226 57.308 54.000 0.137 0.000 0.831 74 D CB 0.562 41.429 40.800 0.113 0.000 0.987 74 D HN -0.724 7.685 8.370 0.065 0.000 0.460 75 W N 0.085 121.390 121.300 0.008 0.000 2.353 75 W HA -0.219 4.437 4.660 -0.006 0.000 0.319 75 W C 1.366 177.886 176.519 0.003 0.000 1.207 75 W CA 2.678 60.019 57.345 -0.006 0.000 1.291 75 W CB -0.223 29.219 29.460 -0.030 0.000 1.159 75 W HN 0.436 8.682 8.180 0.309 0.119 0.478 76 L N -1.929 119.279 121.223 -0.025 0.000 2.102 76 L HA -0.368 3.933 4.340 -0.064 0.000 0.202 76 L C 1.844 178.771 176.870 0.096 0.000 1.076 76 L CA 2.450 57.219 54.840 -0.119 0.000 0.761 76 L CB 0.112 41.943 42.059 -0.381 0.000 0.921 76 L HN -0.817 7.224 8.230 -0.131 0.110 0.444 77 Y N -1.839 118.434 120.300 -0.046 0.000 2.574 77 Y HA -0.382 4.159 4.550 -0.015 0.000 0.294 77 Y C 1.329 177.243 175.900 0.023 0.000 1.142 77 Y CA 2.344 60.438 58.100 -0.009 0.000 1.314 77 Y CB -0.513 37.944 38.460 -0.006 0.000 0.991 77 Y HN 0.264 8.474 8.280 0.210 0.196 0.555 78 K N -2.228 118.253 120.400 0.135 0.000 2.217 78 K HA -0.217 4.143 4.320 0.066 0.000 0.202 78 K C 0.612 177.236 176.600 0.041 0.000 1.051 78 K CA 2.059 58.397 56.287 0.084 0.000 0.952 78 K CB -0.825 31.740 32.500 0.108 0.000 0.736 78 K HN -0.565 7.736 8.250 0.174 0.053 0.453 79 C N -2.094 117.236 119.300 0.049 0.000 2.568 79 C HA 0.024 4.503 4.460 0.032 0.000 0.284 79 C C -0.369 174.609 174.990 -0.020 0.000 1.338 79 C CA 0.364 59.401 59.018 0.033 0.000 1.724 79 C CB 1.674 29.458 27.740 0.072 0.000 2.131 79 C HN -0.299 7.849 8.230 0.079 0.130 0.513 80 S N -6.824 108.843 115.700 -0.055 0.000 4.424 80 S HA -0.104 4.222 4.470 -0.241 0.000 0.062 80 S C -1.833 172.725 174.600 -0.069 0.000 0.840 80 S CA 0.808 58.938 58.200 -0.116 0.000 1.089 80 S CB 0.076 63.240 63.200 -0.061 0.000 0.540 80 S HN 0.100 8.395 8.310 -0.025 0.000 0.778 81 V N -0.168 119.738 119.914 -0.012 0.000 3.553 81 V HA -0.543 3.560 4.120 -0.028 0.000 0.508 81 V C -1.453 174.657 176.094 0.026 0.000 0.682 81 V CA 1.226 63.529 62.300 0.005 0.000 2.060 81 V CB -0.438 31.422 31.823 0.061 0.000 2.485 81 V HN -0.621 7.568 8.190 -0.003 0.000 0.510 82 Q N 2.604 122.425 119.800 0.035 0.000 1.914 82 Q HA 0.464 4.931 4.340 0.059 -0.091 0.153 82 Q C -0.663 175.378 176.000 0.069 0.000 0.517 82 Q CA 0.306 56.149 55.803 0.067 0.000 0.790 82 Q CB 4.277 33.082 28.738 0.111 0.000 0.992 82 Q HN 0.283 8.559 8.270 0.010 0.000 0.318 83 K N -0.064 120.399 120.400 0.105 0.000 2.267 83 K HA 0.251 4.592 4.320 0.034 0.000 0.246 83 K C -2.052 174.607 176.600 0.098 0.000 0.954 83 K CA -0.726 55.615 56.287 0.091 0.000 0.824 83 K CB 3.310 35.820 32.500 0.016 0.000 1.167 83 K HN -0.430 7.803 8.250 0.158 0.112 0.431 84 L N 0.592 121.749 121.223 -0.110 0.000 2.431 84 L HA 0.620 5.072 4.340 -0.197 -0.231 0.266 84 L C -2.128 174.404 176.870 -0.564 0.000 0.978 84 L CA -1.249 53.364 54.840 -0.378 0.000 0.822 84 L CB 4.783 46.471 42.059 -0.619 0.000 1.310 84 L HN 0.389 8.524 8.230 -0.159 0.000 0.409 85 V N 3.848 123.587 119.914 -0.292 0.000 2.447 85 V HA 0.375 4.503 4.120 -0.205 -0.131 0.292 85 V C -1.264 174.807 176.094 -0.037 0.000 1.021 85 V CA -0.897 61.324 62.300 -0.132 0.000 0.850 85 V CB 2.164 34.036 31.823 0.083 0.000 1.005 85 V HN -0.026 7.935 8.190 -0.203 0.107 0.426 86 V N 9.416 129.390 119.914 0.099 0.000 2.333 86 V HA 0.570 4.956 4.120 -0.030 -0.284 0.274 86 V C -1.062 175.147 176.094 0.192 0.000 1.028 86 V CA -1.299 61.069 62.300 0.113 0.000 0.851 86 V CB 0.987 32.921 31.823 0.186 0.000 1.000 86 V HN 1.315 9.513 8.190 0.192 0.107 0.456 87 V N 9.550 129.545 119.914 0.135 0.000 2.328 87 V HA 0.166 4.425 4.120 0.232 0.000 0.278 87 V C -0.948 175.294 176.094 0.248 0.000 1.021 87 V CA -1.404 61.012 62.300 0.193 0.000 0.838 87 V CB 0.027 31.938 31.823 0.147 0.000 0.999 87 V HN 1.059 9.163 8.190 0.060 0.122 0.447 88 I N 10.722 131.479 120.570 0.312 0.000 2.304 88 I HA 0.580 5.242 4.170 0.367 -0.272 0.291 88 I C -0.910 175.335 176.117 0.213 0.000 1.018 88 I CA -1.455 60.038 61.300 0.322 0.000 1.260 88 I CB 0.876 39.089 38.000 0.356 0.000 1.390 88 I HN 1.189 9.491 8.210 0.318 0.099 0.475 89 S N 7.325 123.125 115.700 0.166 0.000 2.536 89 S HA 0.377 5.053 4.470 0.121 -0.133 0.298 89 S C -1.002 173.653 174.600 0.091 0.000 1.083 89 S CA -2.005 56.267 58.200 0.119 0.000 0.995 89 S CB 2.652 65.911 63.200 0.099 0.000 1.058 89 S HN 0.174 8.589 8.310 0.174 0.000 0.488 90 N N 3.228 121.973 118.700 0.074 0.000 2.440 90 N HA -0.142 4.632 4.740 0.056 0.000 0.265 90 N C 0.486 176.023 175.510 0.044 0.000 1.239 90 N CA -0.137 52.946 53.050 0.055 0.000 0.909 90 N CB 0.272 38.787 38.487 0.046 0.000 1.066 90 N HN 0.478 8.903 8.380 0.076 0.000 0.474 91 I N 7.450 128.043 120.570 0.037 0.000 2.617 91 I HA -0.175 4.015 4.170 0.032 0.000 0.256 91 I C 0.982 177.112 176.117 0.022 0.000 1.167 91 I CA 2.171 63.489 61.300 0.029 0.000 1.469 91 I CB 0.486 38.500 38.000 0.023 0.000 1.098 91 I HN 0.007 8.240 8.210 0.037 0.000 0.436 92 E N -0.653 119.560 120.200 0.021 0.000 2.216 92 E HA -0.189 4.169 4.350 0.013 0.000 0.192 92 E C 0.674 177.283 176.600 0.016 0.000 0.988 92 E CA 2.144 58.553 56.400 0.016 0.000 0.834 92 E CB 0.246 29.954 29.700 0.014 0.000 0.772 92 E HN 0.090 8.769 8.360 0.023 -0.304 0.479 93 S N -3.563 112.149 115.700 0.020 0.000 2.520 93 S HA 0.081 4.560 4.470 0.015 0.000 0.219 93 S C 0.142 174.754 174.600 0.020 0.000 1.028 93 S CA -0.075 58.136 58.200 0.018 0.000 0.921 93 S CB 0.982 64.194 63.200 0.019 0.000 0.844 93 S HN -0.883 7.614 8.310 0.024 -0.172 0.495 94 G N 2.106 110.921 108.800 0.025 0.000 2.246 94 G HA2 -0.423 3.592 3.960 0.031 0.000 0.273 94 G HA3 -0.423 3.551 3.960 0.023 0.000 0.273 94 G C -1.600 173.317 174.900 0.029 0.000 1.055 94 G CA 0.547 45.663 45.100 0.027 0.000 0.851 94 G HN -0.126 8.085 8.290 0.028 0.095 0.500 95 E N -1.376 118.845 120.200 0.035 0.000 2.340 95 E HA 0.318 4.686 4.350 0.030 0.000 0.273 95 E C -1.543 175.088 176.600 0.051 0.000 0.891 95 E CA -1.702 54.718 56.400 0.034 0.000 0.757 95 E CB 3.588 33.302 29.700 0.024 0.000 1.231 95 E HN -0.633 7.750 8.360 0.038 0.000 0.439 96 V N 3.493 123.439 119.914 0.054 0.000 2.655 96 V HA -0.201 3.978 4.120 0.099 0.000 0.300 96 V C -0.806 175.342 176.094 0.090 0.000 1.044 96 V CA 1.461 63.810 62.300 0.081 0.000 1.095 96 V CB -0.342 31.529 31.823 0.079 0.000 0.952 96 V HN 0.476 8.689 8.190 0.038 0.000 0.485 97 L N 5.973 127.270 121.223 0.123 0.000 2.663 97 L HA 0.441 4.850 4.340 0.115 0.000 0.218 97 L C -1.280 175.705 176.870 0.192 0.000 1.043 97 L CA 0.248 55.169 54.840 0.135 0.000 0.876 97 L CB 3.759 45.890 42.059 0.120 0.000 1.263 97 L HN 0.268 8.582 8.230 0.140 0.000 0.486 98 E N -2.050 118.283 120.200 0.222 0.000 2.278 98 E HA 0.418 4.937 4.350 0.280 0.000 0.272 98 E C -2.603 174.175 176.600 0.296 0.000 0.890 98 E CA -0.878 55.691 56.400 0.282 0.000 0.770 98 E CB 3.562 33.460 29.700 0.331 0.000 1.212 98 E HN 0.074 8.559 8.360 0.207 0.000 0.415 99 R N 4.552 125.208 120.500 0.260 0.000 2.439 99 R HA 0.652 5.307 4.340 0.296 -0.138 0.310 99 R C -1.815 174.629 176.300 0.240 0.000 0.955 99 R CA -1.698 54.553 56.100 0.252 0.000 0.853 99 R CB 1.910 32.326 30.300 0.193 0.000 1.171 99 R HN 0.198 8.597 8.270 0.216 0.000 0.449 100 W N 5.812 127.225 121.300 0.187 0.000 2.361 100 W HA 0.338 5.103 4.660 0.175 0.000 0.314 100 W C -1.956 174.725 176.519 0.270 0.000 1.041 100 W CA -0.789 56.699 57.345 0.238 0.000 1.241 100 W CB 2.942 32.580 29.460 0.297 0.000 1.279 100 W HN 1.362 9.724 8.180 0.497 0.116 0.436 101 Q N 4.639 124.595 119.800 0.260 0.000 2.348 101 Q HA 0.774 5.245 4.340 -0.005 -0.134 0.265 101 Q C -1.536 174.612 176.000 0.247 0.000 0.998 101 Q CA -1.573 54.305 55.803 0.125 0.000 0.831 101 Q CB 1.942 30.683 28.738 0.006 0.000 1.251 101 Q HN 0.504 8.775 8.270 0.002 0.000 0.456 102 F N -0.029 120.040 119.950 0.199 0.000 2.551 102 F HA 0.581 5.276 4.527 0.136 -0.086 0.316 102 F C -2.025 173.855 175.800 0.134 0.000 1.089 102 F CA -3.132 54.980 58.000 0.186 0.000 0.915 102 F CB 2.828 41.996 39.000 0.280 0.000 1.186 102 F HN 0.730 8.596 8.300 -0.722 0.000 0.456 103 D N 0.475 120.996 120.400 0.202 0.000 2.177 103 D HA 0.276 4.949 4.640 0.056 0.000 0.247 103 D C -1.176 175.205 176.300 0.134 0.000 1.063 103 D CA -0.054 54.010 54.000 0.108 0.000 0.867 103 D CB 3.651 44.491 40.800 0.067 0.000 1.168 103 D HN 0.519 8.887 8.370 0.233 0.142 0.445 104 I N 4.953 125.583 120.570 0.101 0.000 2.439 104 I HA 0.124 4.345 4.170 0.086 0.000 0.283 104 I C -2.543 173.618 176.117 0.074 0.000 1.023 104 I CA -1.069 60.287 61.300 0.094 0.000 1.100 104 I CB 2.250 40.315 38.000 0.107 0.000 1.238 104 I HN 1.111 9.253 8.210 0.075 0.114 0.445 105 E N 6.895 127.139 120.200 0.074 0.000 2.191 105 E HA 0.517 4.900 4.350 0.055 0.000 0.263 105 E C -1.635 175.032 176.600 0.112 0.000 0.881 105 E CA -2.099 54.341 56.400 0.067 0.000 0.757 105 E CB 3.675 33.396 29.700 0.034 0.000 1.147 105 E HN 0.734 9.050 8.360 0.075 0.089 0.414 106 C N 6.220 125.573 119.300 0.089 0.000 2.898 106 C HA 0.480 5.182 4.460 0.210 -0.117 0.304 106 C C -1.848 173.126 174.990 -0.027 0.000 1.237 106 C CA -1.770 57.318 59.018 0.116 0.000 1.529 106 C CB 3.420 31.295 27.740 0.225 0.000 2.021 106 C HN 0.111 8.366 8.230 0.042 0.000 0.474 107 D N 2.126 122.510 120.400 -0.027 0.000 2.442 107 D HA 0.331 4.915 4.640 -0.094 0.000 0.254 107 D C 0.076 176.302 176.300 -0.122 0.000 1.069 107 D CA -1.349 52.603 54.000 -0.079 0.000 1.017 107 D CB 3.122 43.891 40.800 -0.053 0.000 1.172 107 D HN -0.007 8.387 8.370 0.040 0.000 0.561 108 K N -2.384 117.952 120.400 -0.105 0.000 2.166 108 K HA -0.071 4.165 4.320 -0.141 0.000 0.201 108 K C -0.089 176.494 176.600 -0.028 0.000 1.052 108 K CA 0.736 56.968 56.287 -0.091 0.000 0.969 108 K CB 0.882 33.337 32.500 -0.075 0.000 0.761 108 K HN 0.299 8.498 8.250 -0.085 0.000 0.459 109 T N -6.314 108.224 114.554 -0.026 0.000 2.676 109 T HA 0.055 4.404 4.350 -0.001 0.000 0.308 109 T C -1.843 172.844 174.700 -0.021 0.000 1.740 109 T CA -0.981 61.112 62.100 -0.011 0.000 0.982 109 T CB 1.884 70.750 68.868 -0.002 0.000 1.724 109 T HN -0.832 7.385 8.240 -0.038 0.000 0.497 110 A N 0.740 123.549 122.820 -0.018 0.000 2.666 110 A HA 0.182 4.484 4.320 -0.031 0.000 0.312 110 A C 0.357 177.931 177.584 -0.017 0.000 1.471 110 A CA -0.570 51.453 52.037 -0.023 0.000 1.134 110 A CB -0.347 18.640 19.000 -0.022 0.000 1.129 110 A HN 0.355 8.499 8.150 -0.010 0.000 0.539 111 K N 2.582 122.971 120.400 -0.018 0.000 2.097 111 K HA -0.241 4.072 4.320 -0.011 0.000 0.206 111 K C -0.195 176.397 176.600 -0.013 0.000 1.049 111 K CA 1.733 58.011 56.287 -0.014 0.000 0.933 111 K CB 0.382 32.873 32.500 -0.016 0.000 0.717 111 K HN 0.283 8.519 8.250 -0.023 0.000 0.442 112 D N -4.894 115.497 120.400 -0.016 0.000 4.301 112 D HA 0.006 4.639 4.640 -0.011 0.000 0.244 112 D C -2.155 174.135 176.300 -0.016 0.000 1.450 112 D CA 0.316 54.308 54.000 -0.014 0.000 0.805 112 D CB 0.549 41.342 40.800 -0.012 0.000 1.354 112 D HN -0.076 8.268 8.370 -0.019 0.015 0.861 113 D N -0.042 120.346 120.400 -0.020 0.000 2.386 113 D HA 0.193 4.821 4.640 -0.020 0.000 0.247 113 D C -0.707 175.579 176.300 -0.024 0.000 1.336 113 D CA -0.258 53.728 54.000 -0.024 0.000 0.976 113 D CB 1.474 42.255 40.800 -0.031 0.000 1.257 113 D HN -0.339 8.019 8.370 -0.020 0.000 0.570 114 S N 2.888 118.578 115.700 -0.018 0.000 2.585 114 S HA 0.034 4.495 4.470 -0.014 0.000 0.273 114 S C -0.072 174.518 174.600 -0.016 0.000 1.339 114 S CA 0.093 58.284 58.200 -0.014 0.000 1.028 114 S CB 1.034 64.230 63.200 -0.007 0.000 0.906 114 S HN 0.071 8.372 8.310 -0.015 0.000 0.528 115 A N 2.366 125.179 122.820 -0.012 0.000 2.366 115 A HA 0.186 4.494 4.320 -0.020 0.000 0.272 115 A C -2.113 175.474 177.584 0.006 0.000 1.135 115 A CA -1.994 50.038 52.037 -0.008 0.000 0.804 115 A CB -0.604 18.395 19.000 -0.002 0.000 1.064 115 A HN 0.123 8.268 8.150 -0.008 0.000 0.499 116 P HA -0.112 4.314 4.420 0.011 0.000 0.266 116 P C -0.589 176.727 177.300 0.027 0.000 1.193 116 P CA -0.162 62.948 63.100 0.017 0.000 0.770 116 P CB 0.491 32.203 31.700 0.020 0.000 0.836 117 R N -0.299 120.215 120.500 0.023 0.000 3.724 117 R HA -0.342 4.011 4.340 0.021 0.000 0.538 117 R C 0.791 177.106 176.300 0.026 0.000 0.241 117 R CA 1.028 57.144 56.100 0.026 0.000 1.673 117 R CB -0.340 29.981 30.300 0.035 0.000 1.001 117 R HN 0.216 8.497 8.270 0.018 0.000 0.567 118 E N -0.628 119.588 120.200 0.026 0.000 2.153 118 E HA -0.257 4.105 4.350 0.020 0.000 0.194 118 E C 0.047 176.665 176.600 0.031 0.000 0.988 118 E CA 2.024 58.438 56.400 0.024 0.000 0.811 118 E CB 0.343 30.056 29.700 0.021 0.000 0.746 118 E HN 0.284 8.659 8.360 0.025 0.000 0.466 119 K N -0.813 119.612 120.400 0.041 0.000 2.535 119 K HA 0.138 4.489 4.320 0.051 0.000 0.251 119 K C -0.235 176.412 176.600 0.079 0.000 0.942 119 K CA -0.706 55.614 56.287 0.056 0.000 0.798 119 K CB 1.627 34.159 32.500 0.054 0.000 1.267 119 K HN -0.515 7.738 8.250 0.042 0.022 0.434 120 S N 3.847 119.605 115.700 0.096 0.000 2.562 120 S HA -0.085 4.460 4.470 0.124 0.000 0.221 120 S C 1.386 176.120 174.600 0.224 0.000 0.975 120 S CA 1.673 59.957 58.200 0.140 0.000 0.918 120 S CB 0.226 63.494 63.200 0.113 0.000 0.772 120 S HN 0.638 8.998 8.310 0.083 0.000 0.531 121 Q N 0.452 120.367 119.800 0.192 0.000 2.368 121 Q HA -0.295 4.217 4.340 0.287 0.000 0.210 121 Q C 1.651 177.755 176.000 0.175 0.000 0.982 121 Q CA 2.645 58.572 55.803 0.207 0.000 0.884 121 Q CB -0.439 28.384 28.738 0.140 0.000 0.933 121 Q HN 0.273 8.570 8.270 0.145 0.060 0.460 122 K N 0.308 120.796 120.400 0.146 0.000 1.991 122 K HA -0.333 4.037 4.320 0.084 0.000 0.212 122 K C 1.537 178.221 176.600 0.141 0.000 1.049 122 K CA 2.746 59.102 56.287 0.115 0.000 0.932 122 K CB -0.732 31.824 32.500 0.094 0.000 0.717 122 K HN -0.702 7.577 8.250 0.138 0.054 0.441 123 A N -1.496 121.460 122.820 0.227 0.000 1.986 123 A HA -0.256 4.212 4.320 0.247 0.000 0.220 123 A C 2.455 180.153 177.584 0.190 0.000 1.171 123 A CA 2.827 55.064 52.037 0.333 0.000 0.640 123 A CB -1.200 18.132 19.000 0.553 0.000 0.811 123 A HN -0.475 7.816 8.150 0.235 0.000 0.451 124 I N -1.234 119.400 120.570 0.107 0.000 2.142 124 I HA -0.547 3.228 4.170 -0.659 0.000 0.240 124 I C 1.642 177.697 176.117 -0.103 0.000 1.078 124 I CA 3.736 64.960 61.300 -0.127 0.000 1.343 124 I CB -0.928 37.155 38.000 0.138 0.000 1.046 124 I HN -0.677 7.546 8.210 0.255 0.140 0.405 125 Q N 0.612 120.401 119.800 -0.018 0.000 2.112 125 Q HA -0.487 3.780 4.340 -0.121 0.000 0.206 125 Q C 2.307 178.237 176.000 -0.117 0.000 0.987 125 Q CA 4.017 59.777 55.803 -0.071 0.000 0.858 125 Q CB -0.395 28.340 28.738 -0.006 0.000 0.905 125 Q HN -0.108 8.126 8.270 0.055 0.070 0.420 126 D N -1.339 119.034 120.400 -0.045 0.000 2.117 126 D HA -0.325 4.291 4.640 -0.039 0.000 0.197 126 D C 2.317 178.591 176.300 -0.043 0.000 0.987 126 D CA 3.700 57.685 54.000 -0.025 0.000 0.829 126 D CB 0.086 40.910 40.800 0.041 0.000 0.961 126 D HN -0.495 7.871 8.370 0.000 0.004 0.460 127 E N 0.162 120.332 120.200 -0.050 0.000 2.047 127 E HA -0.246 4.136 4.350 0.053 0.000 0.191 127 E C 2.111 178.720 176.600 0.015 0.000 0.987 127 E CA 2.596 59.005 56.400 0.014 0.000 0.799 127 E CB -0.371 29.242 29.700 -0.144 0.000 0.752 127 E HN -0.334 7.905 8.360 -0.080 0.072 0.449 128 I N -0.185 120.216 120.570 -0.281 0.000 2.493 128 I HA -0.327 3.277 4.170 -0.945 0.000 0.254 128 I C 1.148 176.920 176.117 -0.576 0.000 1.160 128 I CA 1.879 62.612 61.300 -0.946 0.000 1.445 128 I CB -0.042 36.776 38.000 -1.970 0.000 1.086 128 I HN 0.699 8.617 8.210 -0.288 0.120 0.433 129 R N -0.657 119.631 120.500 -0.354 0.000 2.093 129 R HA -0.309 3.854 4.340 -0.295 0.000 0.224 129 R C 1.988 178.192 176.300 -0.160 0.000 1.101 129 R CA 3.740 59.693 56.100 -0.245 0.000 0.979 129 R CB -0.217 29.984 30.300 -0.164 0.000 0.877 129 R HN 0.206 8.078 8.270 -0.293 0.223 0.441 130 S N -0.658 114.981 115.700 -0.102 0.000 2.414 130 S HA -0.126 4.319 4.470 -0.041 0.000 0.227 130 S C 2.052 176.644 174.600 -0.013 0.000 1.022 130 S CA 3.081 61.258 58.200 -0.039 0.000 0.958 130 S CB -0.384 62.817 63.200 0.001 0.000 0.797 130 S HN -0.087 7.972 8.310 -0.102 0.190 0.493 131 V N 3.325 123.225 119.914 -0.023 0.000 2.244 131 V HA -0.444 3.766 4.120 0.149 0.000 0.244 131 V C 1.394 177.452 176.094 -0.060 0.000 1.042 131 V CA 4.757 67.076 62.300 0.032 0.000 1.006 131 V CB 0.144 32.003 31.823 0.060 0.000 0.641 131 V HN 0.467 8.510 8.190 -0.063 0.110 0.446 132 I N -2.153 118.301 120.570 -0.193 0.000 2.361 132 I HA -0.514 3.504 4.170 -0.253 0.000 0.251 132 I C 1.590 177.608 176.117 -0.165 0.000 1.133 132 I CA 3.972 65.133 61.300 -0.232 0.000 1.413 132 I CB -0.646 37.170 38.000 -0.307 0.000 1.073 132 I HN -0.649 7.407 8.210 -0.257 0.000 0.424 133 A N -0.736 122.012 122.820 -0.121 0.000 1.930 133 A HA -0.181 4.077 4.320 -0.104 0.000 0.215 133 A C 1.716 179.291 177.584 -0.015 0.000 1.176 133 A CA 2.840 54.829 52.037 -0.080 0.000 0.632 133 A CB -0.231 18.725 19.000 -0.073 0.000 0.819 133 A HN -0.391 7.666 8.150 -0.128 0.016 0.445 134 Q N -1.077 118.741 119.800 0.030 0.000 2.170 134 Q HA -0.297 4.075 4.340 0.053 0.000 0.203 134 Q C 2.221 178.329 176.000 0.179 0.000 0.976 134 Q CA 2.925 58.782 55.803 0.091 0.000 0.858 134 Q CB -0.284 28.522 28.738 0.113 0.000 0.907 134 Q HN 0.400 8.551 8.270 0.017 0.129 0.433 135 I N 0.052 120.746 120.570 0.208 0.000 2.193 135 I HA -0.419 4.079 4.170 0.546 0.000 0.240 135 I C 2.111 178.303 176.117 0.124 0.000 1.084 135 I CA 3.796 65.254 61.300 0.263 0.000 1.365 135 I CB -0.225 37.761 38.000 -0.023 0.000 1.064 135 I HN -0.215 8.053 8.210 0.121 0.015 0.410 136 T N 1.615 116.159 114.554 -0.017 0.000 2.788 136 T HA -0.363 3.949 4.350 -0.064 0.000 0.268 136 T C 1.670 176.384 174.700 0.024 0.000 1.044 136 T CA 3.413 65.474 62.100 -0.066 0.000 1.139 136 T CB -1.048 67.696 68.868 -0.207 0.000 0.867 136 T HN -0.610 7.589 8.240 -0.068 0.000 0.454 137 A N 2.429 125.274 122.820 0.042 0.000 1.845 137 A HA -0.188 4.164 4.320 0.053 0.000 0.215 137 A C 2.481 180.154 177.584 0.149 0.000 1.195 137 A CA 3.108 55.187 52.037 0.069 0.000 0.616 137 A CB -0.834 18.191 19.000 0.043 0.000 0.832 137 A HN 0.602 8.635 8.150 0.027 0.132 0.443 138 T N 1.510 116.177 114.554 0.189 0.000 2.759 138 T HA -0.420 4.123 4.350 0.322 0.000 0.269 138 T C 1.827 176.788 174.700 0.434 0.000 1.042 138 T CA 4.707 67.010 62.100 0.338 0.000 1.140 138 T CB -0.118 68.950 68.868 0.333 0.000 0.864 138 T HN -0.587 7.748 8.240 0.158 0.000 0.455 139 V N 1.569 121.656 119.914 0.288 0.000 2.282 139 V HA -0.427 3.846 4.120 0.255 0.000 0.249 139 V C 1.717 177.917 176.094 0.177 0.000 1.057 139 V CA 4.363 66.799 62.300 0.227 0.000 1.032 139 V CB -0.476 31.446 31.823 0.165 0.000 0.645 139 V HN -0.245 7.998 8.190 0.237 0.089 0.447 140 T N -0.964 113.688 114.554 0.163 0.000 2.759 140 T HA -0.381 4.027 4.350 0.097 0.000 0.269 140 T C 0.884 175.672 174.700 0.146 0.000 1.042 140 T CA 3.224 65.401 62.100 0.129 0.000 1.140 140 T CB 0.152 69.087 68.868 0.111 0.000 0.864 140 T HN -0.500 7.751 8.240 0.158 0.084 0.455 141 F N 1.856 121.845 119.950 0.066 0.000 2.325 141 F HA -0.140 4.410 4.527 0.038 0.000 0.299 141 F C -1.012 174.810 175.800 0.037 0.000 1.090 141 F CA 1.384 59.417 58.000 0.055 0.000 1.392 141 F CB 0.946 39.994 39.000 0.080 0.000 1.053 141 F HN -0.776 7.619 8.300 0.373 0.129 0.521 142 L N -0.379 120.758 121.223 -0.144 0.000 2.439 142 L HA 0.289 4.266 4.340 -0.604 0.000 0.259 142 L C -1.994 174.788 176.870 -0.147 0.000 1.129 142 L CA -2.292 52.397 54.840 -0.252 0.000 0.803 142 L CB -0.603 41.484 42.059 0.047 0.000 1.161 142 L HN -0.214 7.854 8.230 0.163 0.260 0.462 143 P HA -0.022 4.348 4.420 -0.084 0.000 0.323 143 P C -1.431 175.859 177.300 -0.017 0.000 1.319 143 P CA -0.627 62.425 63.100 -0.079 0.000 0.741 143 P CB 0.552 32.200 31.700 -0.085 0.000 1.545 144 L N -0.572 120.646 121.223 -0.009 0.000 2.375 144 L HA 0.183 4.540 4.340 0.028 0.000 0.268 144 L C 0.423 177.304 176.870 0.018 0.000 1.058 144 L CA -0.676 54.171 54.840 0.011 0.000 0.803 144 L CB 0.816 42.876 42.059 0.002 0.000 1.212 144 L HN -0.228 7.989 8.230 -0.022 0.000 0.451 145 L N 2.532 123.770 121.223 0.026 0.000 2.464 145 L HA 0.124 4.488 4.340 0.039 0.000 0.264 145 L C -0.031 176.845 176.870 0.011 0.000 1.199 145 L CA 1.008 55.864 54.840 0.027 0.000 0.818 145 L CB 0.788 42.862 42.059 0.025 0.000 1.102 145 L HN 0.132 8.378 8.230 0.028 0.000 0.473 146 E N 1.766 121.974 120.200 0.014 0.000 2.527 146 E HA -0.033 4.316 4.350 -0.001 0.000 0.211 146 E C -1.635 174.971 176.600 0.010 0.000 1.031 146 E CA 0.355 56.760 56.400 0.007 0.000 1.654 146 E CB 1.408 31.112 29.700 0.006 0.000 2.873 146 E HN 0.465 8.840 8.360 0.024 0.000 1.109 147 V N -2.440 117.486 119.914 0.020 0.000 2.532 147 V HA 0.283 4.413 4.120 0.017 0.000 0.295 147 V C -0.794 175.315 176.094 0.025 0.000 1.041 147 V CA -1.153 61.161 62.300 0.023 0.000 0.926 147 V CB 1.166 33.008 31.823 0.030 0.000 0.992 147 V HN -0.513 7.693 8.190 0.027 0.000 0.457 148 S N 4.404 120.117 115.700 0.021 0.000 3.036 148 S HA 0.085 4.568 4.470 0.022 0.000 0.301 148 S C -0.203 174.410 174.600 0.021 0.000 1.205 148 S CA -0.379 57.833 58.200 0.020 0.000 0.999 148 S CB -0.430 62.779 63.200 0.015 0.000 1.337 148 S HN 0.308 8.628 8.310 0.018 0.000 0.515 149 C N 6.096 125.412 119.300 0.028 0.000 2.580 149 C HA 0.283 4.968 4.460 0.049 -0.196 0.371 149 C C 0.218 175.225 174.990 0.029 0.000 1.308 149 C CA -1.170 57.874 59.018 0.044 0.000 2.428 149 C CB 1.098 28.884 27.740 0.076 0.000 2.529 149 C HN -0.107 8.140 8.230 0.029 0.000 0.657 150 S N -0.444 115.296 115.700 0.067 0.000 2.690 150 S HA 0.138 4.626 4.470 0.030 0.000 0.291 150 S C -1.779 172.941 174.600 0.201 0.000 1.138 150 S CA -0.735 57.513 58.200 0.079 0.000 1.013 150 S CB 1.483 64.726 63.200 0.072 0.000 1.053 150 S HN 0.892 9.145 8.310 0.083 0.107 0.539 151 F N -0.411 119.526 119.950 -0.021 0.000 2.436 151 F HA 0.221 4.765 4.527 0.028 0.000 0.340 151 F C -0.567 175.221 175.800 -0.019 0.000 1.113 151 F CA -1.247 56.737 58.000 -0.028 0.000 1.022 151 F CB 2.617 41.532 39.000 -0.141 0.000 1.128 151 F HN 0.064 8.476 8.300 0.186 0.000 0.466 152 D N 7.059 127.511 120.400 0.087 0.000 2.462 152 D HA 0.281 4.929 4.640 0.013 0.000 0.245 152 D C -1.846 174.405 176.300 -0.082 0.000 1.122 152 D CA -0.746 53.261 54.000 0.011 0.000 0.864 152 D CB 2.149 42.986 40.800 0.061 0.000 1.098 152 D HN -0.000 8.441 8.370 0.119 0.000 0.541 153 L N 4.111 125.280 121.223 -0.091 0.000 2.272 153 L HA 0.235 4.625 4.340 -0.090 -0.105 0.289 153 L C -0.734 176.110 176.870 -0.043 0.000 1.032 153 L CA -0.537 54.262 54.840 -0.067 0.000 0.810 153 L CB 1.224 43.284 42.059 0.002 0.000 1.205 153 L HN 0.420 8.614 8.230 -0.059 0.000 0.422 154 L N 4.823 125.991 121.223 -0.091 0.000 2.334 154 L HA 0.334 4.565 4.340 -0.182 0.000 0.276 154 L C -1.502 175.192 176.870 -0.292 0.000 1.014 154 L CA -0.831 53.890 54.840 -0.200 0.000 0.815 154 L CB 3.228 45.170 42.059 -0.195 0.000 1.268 154 L HN 0.270 8.348 8.230 -0.085 0.101 0.428 155 I N 0.702 121.029 120.570 -0.405 0.000 2.465 155 I HA 0.358 4.421 4.170 -0.336 -0.094 0.291 155 I C -1.090 174.672 176.117 -0.591 0.000 1.014 155 I CA -2.099 58.966 61.300 -0.392 0.000 1.093 155 I CB 1.661 39.471 38.000 -0.318 0.000 1.267 155 I HN 0.114 8.081 8.210 -0.405 0.000 0.431 156 Y N 6.192 126.346 120.300 -0.244 0.000 2.425 156 Y HA 0.206 4.452 4.550 -0.507 0.000 0.344 156 Y C -1.703 174.076 175.900 -0.201 0.000 0.969 156 Y CA -1.150 56.742 58.100 -0.348 0.000 1.052 156 Y CB 3.728 41.973 38.460 -0.360 0.000 1.215 156 Y HN 0.854 9.056 8.280 -0.131 0.000 0.451 157 T N -0.800 113.731 114.554 -0.038 0.000 2.916 157 T HA 0.228 4.613 4.350 0.059 0.000 0.292 157 T C -1.524 173.270 174.700 0.156 0.000 1.064 157 T CA -2.623 59.508 62.100 0.052 0.000 1.011 157 T CB 2.860 71.761 68.868 0.054 0.000 1.152 157 T HN -0.055 8.064 8.240 -0.201 0.000 0.510 158 D N 0.464 120.956 120.400 0.153 0.000 2.253 158 D HA 0.106 4.921 4.640 0.292 0.000 0.249 158 D C -1.051 175.351 176.300 0.169 0.000 1.049 158 D CA -0.530 53.584 54.000 0.190 0.000 0.929 158 D CB 1.100 41.968 40.800 0.113 0.000 1.176 158 D HN 0.130 8.560 8.370 0.101 0.000 0.437 159 K N -0.781 119.724 120.400 0.176 0.000 2.482 159 K HA 0.254 4.639 4.320 0.108 0.000 0.257 159 K C 0.241 176.888 176.600 0.078 0.000 0.969 159 K CA -0.837 55.529 56.287 0.132 0.000 0.842 159 K CB 2.841 35.447 32.500 0.176 0.000 1.359 159 K HN -0.141 8.220 8.250 0.185 0.000 0.441 160 D N 0.733 121.166 120.400 0.056 0.000 2.088 160 D HA -0.181 4.475 4.640 0.027 0.000 0.191 160 D C 0.991 177.305 176.300 0.023 0.000 0.992 160 D CA 2.177 56.197 54.000 0.033 0.000 0.831 160 D CB 0.520 41.336 40.800 0.026 0.000 0.973 160 D HN 0.140 8.545 8.370 0.059 0.000 0.447 161 L N -4.724 116.514 121.223 0.025 0.000 1.711 161 L HA 0.035 4.375 4.340 -0.000 0.000 0.094 161 L C -1.535 175.343 176.870 0.014 0.000 1.533 161 L CA 0.624 55.469 54.840 0.009 0.000 1.057 161 L CB 1.344 43.403 42.059 0.001 0.000 2.093 161 L HN -0.785 7.466 8.230 0.034 0.000 0.445 162 V N 0.234 120.158 119.914 0.017 0.000 4.614 162 V HA -0.295 3.835 4.120 0.017 0.000 0.246 162 V C -1.270 174.831 176.094 0.012 0.000 0.564 162 V CA 1.233 63.545 62.300 0.021 0.000 0.790 162 V CB -0.942 30.904 31.823 0.039 0.000 0.747 162 V HN -0.163 8.036 8.190 0.015 0.000 1.119 163 V N -3.135 116.777 119.914 -0.003 0.000 3.553 163 V HA -0.248 3.860 4.120 -0.021 0.000 0.508 163 V C -1.615 174.460 176.094 -0.032 0.000 0.682 163 V CA 0.190 62.481 62.300 -0.015 0.000 2.060 163 V CB -0.415 31.403 31.823 -0.007 0.000 2.485 163 V HN -0.357 7.810 8.190 -0.004 0.020 0.510 164 P HA 0.079 4.419 4.420 -0.134 0.000 0.267 164 P C -1.238 176.003 177.300 -0.098 0.000 1.205 164 P CA 0.162 63.200 63.100 -0.102 0.000 0.765 164 P CB 0.679 32.317 31.700 -0.105 0.000 0.828 165 E N 3.369 123.483 120.200 -0.143 0.000 2.367 165 E HA -0.002 4.320 4.350 -0.047 0.000 0.204 165 E C -0.820 175.689 176.600 -0.151 0.000 0.840 165 E CA 0.015 56.362 56.400 -0.088 0.000 1.051 165 E CB 0.663 30.369 29.700 0.011 0.000 1.051 165 E HN 0.258 8.486 8.360 -0.221 0.000 0.509 166 K N -1.991 118.182 120.400 -0.379 0.000 7.314 166 K HA -0.282 3.556 4.320 -0.803 0.000 0.694 166 K C -1.231 175.234 176.600 -0.225 0.000 2.568 166 K CA 0.907 56.915 56.287 -0.465 0.000 1.889 166 K CB -0.329 32.020 32.500 -0.252 0.000 2.060 166 K HN -0.082 7.857 8.250 -0.517 0.000 0.284 167 W N 0.709 122.011 121.300 0.004 0.000 2.785 167 W HA 0.265 4.973 4.660 0.080 0.000 0.333 167 W C -0.398 176.123 176.519 0.003 0.000 1.062 167 W CA -2.473 54.909 57.345 0.061 0.000 1.233 167 W CB 1.531 31.122 29.460 0.219 0.000 1.413 167 W HN 0.065 7.656 8.180 -0.981 0.000 0.489 168 E N 0.797 121.180 120.200 0.304 0.000 2.660 168 E HA -0.414 4.048 4.350 0.187 0.000 0.260 168 E C -1.079 175.574 176.600 0.089 0.000 1.122 168 E CA 1.408 57.929 56.400 0.202 0.000 0.755 168 E CB -0.798 29.045 29.700 0.239 0.000 1.345 168 E HN 0.510 9.052 8.360 0.304 0.000 0.421 169 E N -3.089 117.136 120.200 0.042 0.000 2.905 169 E HA -0.036 4.298 4.350 -0.028 0.000 0.197 169 E C -0.519 176.073 176.600 -0.014 0.000 1.016 169 E CA 0.394 56.779 56.400 -0.025 0.000 1.307 169 E CB 1.640 31.281 29.700 -0.099 0.000 1.255 169 E HN 0.074 8.441 8.360 0.061 0.030 0.527 170 S N 0.480 116.172 115.700 -0.013 0.000 2.519 170 S HA -0.097 4.364 4.470 -0.015 0.000 0.320 170 S C 0.542 175.160 174.600 0.030 0.000 1.179 170 S CA 0.642 58.840 58.200 -0.003 0.000 1.173 170 S CB -0.920 62.274 63.200 -0.010 0.000 1.224 170 S HN -0.156 8.141 8.310 -0.022 0.000 0.542 171 G N 5.312 114.132 108.800 0.035 0.000 2.163 171 G HA2 -0.051 3.940 3.960 0.052 0.000 0.191 171 G HA3 -0.051 3.953 3.960 0.075 0.000 0.191 171 G C -2.587 172.365 174.900 0.087 0.000 1.517 171 G CA -0.449 44.688 45.100 0.061 0.000 1.024 171 G HN -0.735 7.567 8.290 0.019 0.000 0.664 172 P HA -0.149 4.324 4.420 0.088 0.000 0.215 172 P C -0.372 177.078 177.300 0.249 0.000 1.157 172 P CA 0.672 63.844 63.100 0.119 0.000 0.874 172 P CB 0.654 32.409 31.700 0.091 0.000 0.790 173 Q N -3.282 116.643 119.800 0.207 0.000 2.421 173 Q HA -0.079 4.397 4.340 0.225 0.000 0.255 173 Q C -0.482 175.725 176.000 0.346 0.000 1.013 173 Q CA 0.557 56.488 55.803 0.214 0.000 0.895 173 Q CB 0.729 29.506 28.738 0.065 0.000 1.271 173 Q HN -0.163 8.187 8.270 0.134 0.000 0.460 174 F N -3.681 116.292 119.950 0.038 0.000 2.300 174 F HA 0.165 4.721 4.527 0.049 0.000 0.307 174 F C -0.196 175.635 175.800 0.053 0.000 0.847 174 F CA 0.075 58.102 58.000 0.046 0.000 1.076 174 F CB 0.349 39.374 39.000 0.041 0.000 1.075 174 F HN 0.065 8.159 8.300 -0.342 0.000 0.702 175 I N -2.170 117.972 120.570 -0.712 0.000 3.626 175 I HA 0.149 4.232 4.170 -0.145 0.000 0.256 175 I C 0.194 176.084 176.117 -0.378 0.000 1.105 175 I CA 0.136 61.203 61.300 -0.388 0.000 1.656 175 I CB 1.734 39.588 38.000 -0.243 0.000 1.672 175 I HN -0.325 6.806 8.210 -1.799 0.000 0.421 176 T N -1.308 112.932 114.554 -0.523 0.000 3.993 176 T HA -0.036 4.159 4.350 -0.260 0.000 0.340 176 T C -1.568 172.996 174.700 -0.227 0.000 0.865 176 T CA 0.817 62.747 62.100 -0.285 0.000 1.246 176 T CB 0.556 69.341 68.868 -0.138 0.000 0.970 176 T HN -0.489 7.251 8.240 -0.832 0.000 0.524 177 N N 0.757 119.360 118.700 -0.162 0.000 3.029 177 N HA 0.179 4.916 4.740 -0.005 0.000 0.198 177 N C -2.305 173.244 175.510 0.065 0.000 1.444 177 N CA 0.483 53.517 53.050 -0.027 0.000 0.784 177 N CB 1.059 39.543 38.487 -0.004 0.000 1.539 177 N HN -0.149 8.132 8.380 -0.163 0.000 0.582 178 S N 0.628 116.426 115.700 0.163 0.000 2.709 178 S HA 0.389 5.066 4.470 0.226 -0.071 0.302 178 S C -1.648 173.154 174.600 0.337 0.000 1.127 178 S CA -0.825 57.539 58.200 0.273 0.000 0.905 178 S CB 3.347 66.731 63.200 0.307 0.000 1.151 178 S HN -0.346 8.068 8.310 0.173 0.000 0.510 179 E N 0.921 121.325 120.200 0.340 0.000 2.187 179 E HA 0.168 4.639 4.350 0.202 0.000 0.268 179 E C -1.838 174.840 176.600 0.129 0.000 0.896 179 E CA -1.361 55.195 56.400 0.260 0.000 0.766 179 E CB 3.166 33.060 29.700 0.323 0.000 1.142 179 E HN 0.615 9.124 8.360 0.429 0.108 0.408 180 E N 5.830 126.036 120.200 0.011 0.000 2.134 180 E HA 0.137 4.396 4.350 -0.151 0.000 0.278 180 E C -1.285 175.241 176.600 -0.123 0.000 0.959 180 E CA -1.112 55.224 56.400 -0.106 0.000 0.783 180 E CB 1.128 30.736 29.700 -0.153 0.000 1.095 180 E HN 0.281 8.651 8.360 0.017 0.000 0.399 181 V N 6.259 126.053 119.914 -0.200 0.000 2.709 181 V HA 0.241 4.287 4.120 -0.123 0.000 0.308 181 V C -1.462 174.510 176.094 -0.204 0.000 1.062 181 V CA -1.391 60.803 62.300 -0.177 0.000 0.901 181 V CB 3.135 34.852 31.823 -0.177 0.000 1.003 181 V HN 0.478 8.497 8.190 -0.286 0.000 0.425 182 R N 4.227 124.640 120.500 -0.146 0.000 2.340 182 R HA -0.081 4.168 4.340 -0.151 0.000 0.300 182 R C -0.495 175.733 176.300 -0.121 0.000 1.069 182 R CA 0.603 56.626 56.100 -0.129 0.000 0.984 182 R CB 0.197 30.446 30.300 -0.085 0.000 1.003 182 R HN 0.391 8.591 8.270 -0.117 0.000 0.459 183 L N 3.538 124.689 121.223 -0.121 0.000 2.276 183 L HA 0.046 4.334 4.340 -0.087 0.000 0.194 183 L C 0.739 177.594 176.870 -0.025 0.000 1.099 183 L CA 1.479 56.270 54.840 -0.081 0.000 0.800 183 L CB 0.708 42.716 42.059 -0.084 0.000 0.994 183 L HN 0.102 8.252 8.230 -0.133 0.000 0.475 184 R N -6.001 114.501 120.500 0.003 0.000 2.829 184 R HA 0.149 4.502 4.340 0.021 0.000 0.283 184 R C -2.514 173.825 176.300 0.066 0.000 1.013 184 R CA -0.564 55.557 56.100 0.035 0.000 0.848 184 R CB 4.313 34.643 30.300 0.049 0.000 1.291 184 R HN -0.311 7.958 8.270 -0.002 0.000 0.496 185 S N -1.040 114.712 115.700 0.086 0.000 2.533 185 S HA 0.492 5.170 4.470 0.141 -0.123 0.271 185 S C -1.702 173.007 174.600 0.181 0.000 1.143 185 S CA -0.918 57.352 58.200 0.117 0.000 0.891 185 S CB 2.213 65.450 63.200 0.062 0.000 1.105 185 S HN 0.069 8.426 8.310 0.078 0.000 0.468 186 F N 6.109 126.060 119.950 0.001 0.000 2.507 186 F HA 0.488 5.030 4.527 0.024 0.000 0.325 186 F C -2.539 173.270 175.800 0.015 0.000 1.116 186 F CA -1.656 56.352 58.000 0.013 0.000 0.930 186 F CB 3.755 42.769 39.000 0.024 0.000 1.146 186 F HN 1.141 9.494 8.300 0.337 0.149 0.447 187 T N 7.107 121.350 114.554 -0.517 0.000 2.840 187 T HA 0.236 4.214 4.350 -0.619 0.000 0.287 187 T C -1.079 173.307 174.700 -0.524 0.000 0.991 187 T CA -0.811 60.971 62.100 -0.531 0.000 0.964 187 T CB 2.345 71.081 68.868 -0.219 0.000 0.954 187 T HN 0.086 8.178 8.240 -0.247 0.000 0.438 188 T N 5.922 120.164 114.554 -0.521 0.000 2.912 188 T HA 0.282 4.521 4.350 -0.185 0.000 0.288 188 T C 1.091 175.686 174.700 -0.175 0.000 1.030 188 T CA -1.670 60.279 62.100 -0.252 0.000 1.020 188 T CB 2.236 71.056 68.868 -0.080 0.000 1.056 188 T HN 0.639 8.444 8.240 -0.541 0.111 0.480 189 T N 1.953 116.426 114.554 -0.134 0.000 2.946 189 T HA -0.225 4.068 4.350 -0.095 0.000 0.271 189 T C -0.042 174.574 174.700 -0.140 0.000 1.104 189 T CA 2.971 65.004 62.100 -0.112 0.000 1.114 189 T CB -0.197 68.624 68.868 -0.079 0.000 0.867 189 T HN 0.492 8.668 8.240 -0.107 0.000 0.513 190 I N -6.352 114.070 120.570 -0.247 0.000 3.939 190 I HA 0.238 4.309 4.170 -0.165 0.000 0.313 190 I C -1.954 174.014 176.117 -0.247 0.000 1.274 190 I CA -1.002 60.120 61.300 -0.297 0.000 1.301 190 I CB -0.161 37.589 38.000 -0.416 0.000 1.105 190 I HN -0.325 7.649 8.210 -0.304 0.054 0.427 191 H N -7.635 111.417 119.070 -0.030 0.000 3.060 191 H HA 0.511 5.245 4.556 -0.023 -0.191 0.330 191 H C -2.034 173.177 175.328 -0.195 0.000 1.305 191 H CA -2.487 53.546 56.048 -0.026 0.000 1.209 191 H CB 1.887 31.711 29.762 0.104 0.000 1.913 191 H HN -0.960 7.043 8.280 -0.262 0.119 0.534 192 K N 1.553 121.964 120.400 0.019 0.000 2.482 192 K HA 0.455 4.545 4.320 -0.570 -0.113 0.251 192 K C -2.574 174.027 176.600 0.002 0.000 0.936 192 K CA -1.017 55.162 56.287 -0.180 0.000 0.791 192 K CB 3.746 36.159 32.500 -0.146 0.000 1.213 192 K HN 0.726 8.959 8.250 0.089 0.071 0.428 193 V N 5.466 125.461 119.914 0.135 0.000 2.604 193 V HA 0.487 4.846 4.120 0.086 -0.188 0.305 193 V C -1.762 174.427 176.094 0.159 0.000 1.043 193 V CA -1.483 60.907 62.300 0.149 0.000 0.888 193 V CB 3.296 35.088 31.823 -0.051 0.000 0.995 193 V HN 0.939 9.117 8.190 0.141 0.096 0.429 194 N N 4.588 123.361 118.700 0.123 0.000 2.335 194 N HA 0.342 5.150 4.740 0.113 0.000 0.304 194 N C -1.779 173.831 175.510 0.166 0.000 1.135 194 N CA -0.578 52.542 53.050 0.116 0.000 0.817 194 N CB 3.814 42.343 38.487 0.071 0.000 1.294 194 N HN 0.609 8.925 8.380 0.123 0.137 0.497 195 S N 1.589 117.368 115.700 0.131 0.000 2.647 195 S HA 0.334 4.971 4.470 0.279 0.000 0.300 195 S C -1.853 172.740 174.600 -0.011 0.000 1.129 195 S CA -0.358 57.934 58.200 0.154 0.000 1.029 195 S CB 2.198 65.513 63.200 0.192 0.000 1.007 195 S HN 0.712 9.075 8.310 0.089 0.000 0.484 196 M N 5.555 125.092 119.600 -0.106 0.000 2.371 196 M HA 0.356 4.668 4.480 -0.280 0.000 0.287 196 M C -2.962 173.019 176.300 -0.531 0.000 1.149 196 M CA 0.364 55.506 55.300 -0.263 0.000 0.929 196 M CB 5.095 37.606 32.600 -0.149 0.000 1.683 196 M HN 0.667 8.962 8.290 0.007 0.000 0.470 197 V N 1.827 121.335 119.914 -0.676 0.000 2.971 197 V HA 0.622 4.269 4.120 -0.790 0.000 0.309 197 V C -3.221 172.514 176.094 -0.597 0.000 1.130 197 V CA -2.947 58.820 62.300 -0.887 0.000 0.964 197 V CB 4.255 35.148 31.823 -1.550 0.000 1.029 197 V HN 0.123 7.993 8.190 -0.534 0.000 0.427 198 A N 5.416 127.978 122.820 -0.430 0.000 2.435 198 A HA 1.050 5.235 4.320 -0.464 -0.144 0.304 198 A C -2.124 175.401 177.584 -0.099 0.000 1.064 198 A CA -1.986 49.878 52.037 -0.287 0.000 0.727 198 A CB 3.849 22.814 19.000 -0.059 0.000 1.284 198 A HN 0.508 8.443 8.150 -0.358 0.000 0.415 199 Y N -2.458 117.906 120.300 0.108 0.000 2.553 199 Y HA 0.602 5.238 4.550 0.145 0.000 0.347 199 Y C -0.984 174.995 175.900 0.132 0.000 1.019 199 Y CA -4.733 53.450 58.100 0.138 0.000 1.032 199 Y CB 2.426 40.983 38.460 0.162 0.000 1.284 199 Y HN 0.176 8.591 8.280 0.224 0.000 0.466 200 K N 3.027 123.606 120.400 0.298 0.000 2.489 200 K HA -0.166 4.370 4.320 0.173 -0.112 0.278 200 K C -0.063 176.599 176.600 0.104 0.000 1.000 200 K CA 1.044 57.433 56.287 0.169 0.000 1.012 200 K CB 0.526 33.089 32.500 0.106 0.000 0.903 200 K HN -0.063 8.357 8.250 0.283 0.000 0.485 201 I N 1.930 122.555 120.570 0.092 0.000 2.405 201 I HA 0.446 4.610 4.170 -0.010 0.000 0.280 201 I C -1.390 174.742 176.117 0.025 0.000 1.027 201 I CA -3.769 57.557 61.300 0.044 0.000 1.161 201 I CB 0.515 38.565 38.000 0.084 0.000 1.300 201 I HN 0.778 8.924 8.210 0.109 0.129 0.463 202 P HA -0.005 4.417 4.420 0.004 0.000 0.241 202 P C -0.891 176.409 177.300 0.001 0.000 1.760 202 P CA -0.743 62.355 63.100 -0.003 0.000 1.081 202 P CB -1.758 29.931 31.700 -0.018 0.000 1.975 203 V N 0.137 120.058 119.914 0.013 0.000 5.791 203 V HA -0.444 3.690 4.120 0.024 0.000 0.241 203 V C -2.396 173.705 176.094 0.012 0.000 0.700 203 V CA 1.001 63.310 62.300 0.016 0.000 0.848 203 V CB -1.048 30.782 31.823 0.011 0.000 0.947 203 V HN 0.150 8.306 8.190 0.019 0.045 0.423 204 N N 4.928 123.640 118.700 0.019 0.000 2.404 204 N HA 0.183 4.929 4.740 0.009 0.000 0.297 204 N C -1.182 174.343 175.510 0.027 0.000 1.163 204 N CA -0.696 52.365 53.050 0.018 0.000 0.864 204 N CB 1.856 40.353 38.487 0.018 0.000 1.247 204 N HN -0.127 8.270 8.380 0.029 0.000 0.510 205 D N 0.000 120.414 120.400 0.024 0.000 6.856 205 D HA 0.000 4.657 4.640 0.028 0.000 0.175 205 D CA 0.000 54.016 54.000 0.026 0.000 0.868 205 D CB 0.000 40.812 40.800 0.019 0.000 0.688 205 D HN 0.000 8.382 8.370 0.019 0.000 0.683