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 1ixh_1_A DATA FIRST_RESID 1 DATA SEQUENCE EASLTGAGAT FPAPVYAKWA DTYQKETGNK VNYQGIGSSG GVKQIIANTV DATA SEQUENCE DFGASDAPLS DEKLAQEGLF QFPTVIGGVV LAVNIPGLKS GELVLDGKTL DATA SEQUENCE GDIYLGKIKK WDDEAIAKLN PGLKLPSQNI AVVRRADGSG TSFVFTSYLA DATA SEQUENCE KVNEEWKNNV GTGSTVKWPI GLGGKGNDGI AAFVQRLPGA IGYVEYAYAK DATA SEQUENCE QNNLAYTKLI SADGKPVSPT EENFANAAKG ADWSKTFAQD LTNQKGEDAW DATA SEQUENCE PITSTTFILI HKDQKKPEQG TEVLKFFDWA YKTGAKQAND LDYASLPDSV DATA SEQUENCE VEQVRAAWKT NIKDSSGKPL Y 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 E HA 0.000 4.282 4.350 -0.113 0.000 0.291 1 E C 0.000 176.564 176.600 -0.060 0.000 1.382 1 E CA 0.000 56.350 56.400 -0.083 0.000 0.976 1 E CB 0.000 29.655 29.700 -0.075 0.000 0.812 2 A N 5.531 128.314 122.820 -0.061 0.000 2.320 2 A HA 0.455 4.760 4.320 -0.025 0.000 0.334 2 A C -2.155 175.405 177.584 -0.039 0.000 1.147 2 A CA -0.796 51.221 52.037 -0.033 0.000 0.820 2 A CB 3.174 22.169 19.000 -0.009 0.000 1.218 2 A HN 0.703 9.123 8.150 -0.082 -0.319 0.482 3 S N 0.816 116.502 115.700 -0.022 0.000 2.566 3 S HA 0.644 5.256 4.470 -0.035 -0.163 0.324 3 S C -0.647 173.952 174.600 -0.001 0.000 1.081 3 S CA -0.400 57.787 58.200 -0.022 0.000 1.105 3 S CB 0.574 63.762 63.200 -0.021 0.000 0.981 3 S HN 0.257 8.559 8.310 -0.014 0.000 0.464 4 L N 6.905 128.129 121.223 0.002 0.000 2.330 4 L HA 0.565 5.120 4.340 0.065 -0.176 0.271 4 L C -0.748 176.140 176.870 0.030 0.000 1.013 4 L CA -1.629 53.243 54.840 0.053 0.000 0.816 4 L CB 3.313 45.432 42.059 0.099 0.000 1.287 4 L HN 0.966 9.183 8.230 -0.021 0.000 0.435 5 T N -1.239 113.319 114.554 0.008 0.000 2.841 5 T HA 0.858 5.340 4.350 -0.096 -0.189 0.283 5 T C -0.585 173.868 174.700 -0.412 0.000 1.000 5 T CA -2.193 59.837 62.100 -0.115 0.000 0.977 5 T CB 2.664 71.475 68.868 -0.094 0.000 0.979 5 T HN 0.474 9.069 8.240 0.043 -0.330 0.446 6 G N 0.765 109.180 108.800 -0.643 0.000 2.605 6 G HA2 0.879 4.264 3.960 -1.334 0.000 0.296 6 G HA3 0.879 3.557 3.960 -2.136 0.000 0.296 6 G C -3.298 171.251 174.900 -0.585 0.000 1.304 6 G CA -1.551 42.810 45.100 -1.232 0.000 0.941 6 G HN 0.620 8.697 8.290 -0.355 0.000 0.475 7 A N -1.209 121.345 122.820 -0.443 0.000 2.604 7 A HA 1.020 5.020 4.320 -0.830 -0.178 0.295 7 A C -2.045 175.451 177.584 -0.146 0.000 1.067 7 A CA -1.159 50.611 52.037 -0.445 0.000 0.683 7 A CB 3.251 22.089 19.000 -0.271 0.000 1.281 7 A HN -0.233 7.699 8.150 -0.364 0.000 0.407 8 G N -0.764 107.949 108.800 -0.145 0.000 2.286 8 G HA2 -0.172 4.040 3.960 0.047 0.000 0.118 8 G HA3 -0.172 4.091 3.960 0.178 -0.196 0.118 8 G C -1.916 173.114 174.900 0.217 0.000 1.267 8 G CA 0.573 45.731 45.100 0.096 0.000 1.171 8 G HN 0.331 8.404 8.290 -0.361 0.000 0.465 9 A N 1.858 124.864 122.820 0.311 0.000 2.591 9 A HA -0.093 4.358 4.320 0.219 0.000 0.244 9 A C 1.056 178.855 177.584 0.358 0.000 1.031 9 A CA 1.170 53.381 52.037 0.290 0.000 0.767 9 A CB 0.185 19.336 19.000 0.252 0.000 0.942 9 A HN -0.068 8.151 8.150 0.309 0.116 0.514 10 T N 3.850 118.567 114.554 0.272 0.000 3.067 10 T HA -0.260 4.299 4.350 0.348 0.000 0.261 10 T C 1.316 176.220 174.700 0.340 0.000 1.110 10 T CA 1.981 64.248 62.100 0.279 0.000 1.113 10 T CB 0.152 69.099 68.868 0.133 0.000 0.917 10 T HN 0.434 8.805 8.240 0.218 0.000 0.499 11 F N 4.633 124.662 119.950 0.131 0.000 2.091 11 F HA -0.196 4.456 4.527 0.208 0.000 0.299 11 F C -1.813 174.083 175.800 0.160 0.000 1.103 11 F CA 4.610 62.707 58.000 0.163 0.000 1.228 11 F CB -1.781 37.288 39.000 0.114 0.000 0.984 11 F HN 0.178 8.684 8.300 0.402 0.036 0.477 12 P HA 0.284 4.414 4.420 -0.484 0.000 0.274 12 P C -0.257 176.639 177.300 -0.672 0.000 1.352 12 P CA -0.397 62.417 63.100 -0.477 0.000 0.947 12 P CB -1.190 29.951 31.700 -0.932 0.000 1.437 13 A N 1.036 123.751 122.820 -0.175 0.000 1.948 13 A HA -0.200 4.030 4.320 -0.149 0.000 0.220 13 A C -0.549 176.978 177.584 -0.095 0.000 1.177 13 A CA 5.209 57.229 52.037 -0.028 0.000 0.636 13 A CB -2.671 16.524 19.000 0.326 0.000 0.815 13 A HN -0.146 7.854 8.150 0.062 0.187 0.449 14 P HA -0.230 4.129 4.420 -0.102 0.000 0.215 14 P C 1.210 178.384 177.300 -0.210 0.000 1.153 14 P CA 2.998 66.008 63.100 -0.150 0.000 0.853 14 P CB -0.535 31.048 31.700 -0.194 0.000 0.788 15 V N -1.404 118.238 119.914 -0.452 0.000 2.379 15 V HA -0.335 3.481 4.120 -0.507 0.000 0.245 15 V C 1.089 176.827 176.094 -0.594 0.000 1.044 15 V CA 2.873 64.750 62.300 -0.705 0.000 1.036 15 V CB -0.329 30.781 31.823 -1.188 0.000 0.664 15 V HN -0.676 7.180 8.190 -0.556 0.000 0.453 16 Y N -0.705 119.289 120.300 -0.509 0.000 2.165 16 Y HA -0.408 4.127 4.550 -0.025 0.000 0.286 16 Y C 2.167 178.101 175.900 0.057 0.000 1.155 16 Y CA 1.628 59.628 58.100 -0.166 0.000 1.164 16 Y CB -1.880 36.407 38.460 -0.287 0.000 0.978 16 Y HN -0.152 7.789 8.280 -0.565 0.000 0.513 17 A N -1.686 121.230 122.820 0.160 0.000 1.898 17 A HA -0.405 4.048 4.320 0.222 0.000 0.216 17 A C 1.666 179.354 177.584 0.174 0.000 1.181 17 A CA 2.979 55.122 52.037 0.175 0.000 0.620 17 A CB -0.876 18.201 19.000 0.129 0.000 0.819 17 A HN 0.330 8.510 8.150 0.068 0.010 0.442 18 K N -0.686 119.781 120.400 0.112 0.000 2.026 18 K HA -0.204 4.209 4.320 0.155 0.000 0.208 18 K C 2.103 178.924 176.600 0.368 0.000 1.048 18 K CA 2.668 59.053 56.287 0.163 0.000 0.929 18 K CB -0.624 31.914 32.500 0.063 0.000 0.713 18 K HN -0.628 7.638 8.250 0.026 0.000 0.439 19 W N -1.698 119.762 121.300 0.267 0.000 2.335 19 W HA -0.359 4.620 4.660 0.532 0.000 0.311 19 W C 2.232 179.017 176.519 0.443 0.000 1.213 19 W CA 2.626 60.233 57.345 0.437 0.000 1.274 19 W CB -1.375 28.291 29.460 0.343 0.000 1.148 19 W HN 0.117 8.487 8.180 0.316 0.000 0.498 20 A N -2.313 120.842 122.820 0.559 0.000 1.933 20 A HA -0.418 3.966 4.320 0.107 0.000 0.218 20 A C 1.878 179.563 177.584 0.167 0.000 1.175 20 A CA 3.108 55.282 52.037 0.228 0.000 0.628 20 A CB -0.940 18.123 19.000 0.104 0.000 0.814 20 A HN 0.041 8.525 8.150 0.557 0.000 0.444 21 D N -2.309 118.209 120.400 0.198 0.000 2.084 21 D HA -0.258 4.437 4.640 0.091 0.000 0.194 21 D C 2.247 178.639 176.300 0.153 0.000 0.990 21 D CA 3.399 57.482 54.000 0.139 0.000 0.826 21 D CB 0.079 40.961 40.800 0.137 0.000 0.971 21 D HN -0.268 8.243 8.370 0.236 0.000 0.453 22 T N 2.418 117.128 114.554 0.260 0.000 2.746 22 T HA -0.380 4.106 4.350 0.226 0.000 0.267 22 T C 1.909 176.711 174.700 0.171 0.000 1.039 22 T CA 4.752 67.031 62.100 0.299 0.000 1.142 22 T CB -0.088 69.096 68.868 0.527 0.000 0.866 22 T HN -0.269 8.167 8.240 0.326 0.000 0.444 23 Y N 2.229 122.400 120.300 -0.215 0.000 2.165 23 Y HA -0.456 3.479 4.550 -1.025 0.000 0.286 23 Y C 1.522 177.206 175.900 -0.360 0.000 1.155 23 Y CA 3.433 61.117 58.100 -0.694 0.000 1.164 23 Y CB -0.236 37.717 38.460 -0.845 0.000 0.978 23 Y HN 0.058 8.440 8.280 0.171 0.000 0.513 24 Q N -0.636 119.073 119.800 -0.152 0.000 2.079 24 Q HA -0.355 3.953 4.340 -0.289 -0.141 0.200 24 Q C 2.826 178.739 176.000 -0.146 0.000 0.974 24 Q CA 3.058 58.750 55.803 -0.185 0.000 0.840 24 Q CB 0.007 28.691 28.738 -0.090 0.000 0.898 24 Q HN -0.253 7.997 8.270 -0.033 0.000 0.430 25 K N -0.637 119.725 120.400 -0.064 0.000 2.063 25 K HA -0.299 4.001 4.320 -0.034 0.000 0.208 25 K C 2.184 178.752 176.600 -0.053 0.000 1.048 25 K CA 2.931 59.200 56.287 -0.029 0.000 0.928 25 K CB -0.079 32.440 32.500 0.031 0.000 0.713 25 K HN -0.451 7.784 8.250 -0.025 0.000 0.442 26 E N -3.285 116.870 120.200 -0.076 0.000 2.122 26 E HA -0.128 4.215 4.350 -0.011 0.000 0.190 26 E C 1.526 178.026 176.600 -0.167 0.000 0.977 26 E CA 2.248 58.611 56.400 -0.062 0.000 0.820 26 E CB 0.690 30.418 29.700 0.046 0.000 0.770 26 E HN -0.307 7.981 8.360 -0.088 0.019 0.462 27 T N -6.990 107.359 114.554 -0.341 0.000 2.958 27 T HA 0.217 4.401 4.350 -0.276 0.000 0.256 27 T C 1.192 175.688 174.700 -0.340 0.000 0.983 27 T CA -0.458 61.398 62.100 -0.407 0.000 0.924 27 T CB 2.648 71.059 68.868 -0.762 0.000 1.136 27 T HN -0.202 7.800 8.240 -0.395 0.000 0.506 28 G N 1.808 110.424 108.800 -0.306 0.000 2.253 28 G HA2 -0.388 3.542 3.960 -0.173 0.000 0.251 28 G HA3 -0.388 3.464 3.960 -0.180 0.000 0.251 28 G C -0.075 174.681 174.900 -0.240 0.000 0.998 28 G CA 0.208 45.176 45.100 -0.220 0.000 0.621 28 G HN -0.241 7.760 8.290 -0.310 0.102 0.524 29 N N 2.443 120.927 118.700 -0.360 0.000 2.454 29 N HA -0.188 4.560 4.740 -0.189 -0.122 0.254 29 N C -1.288 174.102 175.510 -0.200 0.000 1.228 29 N CA 1.151 54.032 53.050 -0.282 0.000 0.900 29 N CB 0.847 39.127 38.487 -0.346 0.000 1.089 29 N HN -0.606 7.384 8.380 -0.501 0.089 0.449 30 K N 3.193 123.519 120.400 -0.123 0.000 2.307 30 K HA 0.291 4.551 4.320 -0.100 0.000 0.263 30 K C -1.927 174.610 176.600 -0.106 0.000 0.973 30 K CA -0.914 55.315 56.287 -0.097 0.000 0.846 30 K CB 2.408 34.868 32.500 -0.066 0.000 1.100 30 K HN 0.654 8.840 8.250 -0.106 0.000 0.438 31 V N 4.828 124.657 119.914 -0.142 0.000 2.378 31 V HA 0.289 4.505 4.120 -0.108 -0.160 0.288 31 V C -0.937 175.141 176.094 -0.027 0.000 1.016 31 V CA -1.555 60.649 62.300 -0.160 0.000 0.840 31 V CB 0.590 32.103 31.823 -0.515 0.000 0.994 31 V HN 0.344 8.456 8.190 -0.130 0.000 0.431 32 N N 8.871 127.580 118.700 0.015 0.000 2.419 32 N HA 0.193 4.969 4.740 0.061 0.000 0.277 32 N C -2.399 173.166 175.510 0.092 0.000 1.006 32 N CA -1.049 52.026 53.050 0.042 0.000 0.923 32 N CB 2.680 41.164 38.487 -0.005 0.000 1.140 32 N HN 0.263 8.643 8.380 0.000 0.000 0.488 33 Y N 6.719 127.034 120.300 0.026 0.000 2.331 33 Y HA 0.401 5.139 4.550 -0.023 -0.201 0.334 33 Y C -1.304 174.630 175.900 0.057 0.000 0.960 33 Y CA -1.192 56.944 58.100 0.059 0.000 1.130 33 Y CB 2.064 40.654 38.460 0.216 0.000 1.164 33 Y HN 0.426 8.830 8.280 0.207 0.000 0.458 34 Q N 8.028 127.458 119.800 -0.616 0.000 2.314 34 Q HA 0.287 4.499 4.340 -0.213 0.000 0.259 34 Q C -0.827 174.844 176.000 -0.548 0.000 0.951 34 Q CA -1.802 53.756 55.803 -0.408 0.000 0.909 34 Q CB 1.932 30.513 28.738 -0.262 0.000 1.236 34 Q HN 0.195 8.017 8.270 -0.748 0.000 0.444 35 G N 2.764 111.436 108.800 -0.212 0.000 2.663 35 G HA2 0.283 4.390 3.960 -0.038 0.000 0.320 35 G HA3 0.283 4.312 3.960 0.114 0.000 0.320 35 G C -0.550 174.342 174.900 -0.012 0.000 0.937 35 G CA -0.362 44.722 45.100 -0.026 0.000 1.332 35 G HN 0.541 8.771 8.290 -0.100 0.000 0.461 36 I N -2.210 118.339 120.570 -0.035 0.000 4.081 36 I HA 0.365 4.535 4.170 -0.000 0.000 0.333 36 I C -0.430 175.706 176.117 0.032 0.000 1.413 36 I CA -1.313 59.982 61.300 -0.009 0.000 1.110 36 I CB 0.873 38.849 38.000 -0.039 0.000 1.082 36 I HN -0.376 7.795 8.210 -0.065 0.000 0.402 37 G N 0.675 109.514 108.800 0.065 0.000 2.712 37 G HA2 -0.303 3.727 3.960 0.117 0.000 0.686 37 G HA3 -0.303 3.710 3.960 0.088 0.000 0.686 37 G C 0.197 175.155 174.900 0.097 0.000 1.321 37 G CA -0.400 44.757 45.100 0.094 0.000 0.813 37 G HN -0.636 7.699 8.290 0.075 0.000 0.599 38 S N 1.437 117.205 115.700 0.113 0.000 2.382 38 S HA -0.232 4.492 4.470 0.114 -0.186 0.228 38 S C 2.252 176.891 174.600 0.064 0.000 1.027 38 S CA 4.151 62.409 58.200 0.097 0.000 0.991 38 S CB 0.290 63.540 63.200 0.084 0.000 0.823 38 S HN 0.368 8.753 8.310 0.125 0.000 0.469 39 S N 2.209 117.948 115.700 0.065 0.000 2.368 39 S HA -0.329 4.160 4.470 0.031 0.000 0.225 39 S C 1.845 176.469 174.600 0.039 0.000 1.030 39 S CA 3.739 61.968 58.200 0.048 0.000 0.999 39 S CB -0.341 62.898 63.200 0.065 0.000 0.844 39 S HN -0.743 7.616 8.310 0.083 0.000 0.459 40 G N -0.158 108.667 108.800 0.042 0.000 2.422 40 G HA2 -0.253 3.721 3.960 0.024 0.000 0.218 40 G HA3 -0.253 3.719 3.960 0.020 0.000 0.218 40 G C 0.911 175.822 174.900 0.018 0.000 1.146 40 G CA 1.387 46.502 45.100 0.025 0.000 0.769 40 G HN 0.200 8.521 8.290 0.051 0.000 0.547 41 G N 1.644 110.462 108.800 0.030 0.000 2.446 41 G HA2 -0.320 3.725 3.960 0.012 0.000 0.217 41 G HA3 -0.320 3.682 3.960 0.069 0.000 0.217 41 G C 1.177 176.099 174.900 0.036 0.000 1.168 41 G CA 1.973 47.095 45.100 0.037 0.000 0.771 41 G HN -0.225 8.013 8.290 0.043 0.078 0.551 42 V N 2.598 122.530 119.914 0.030 0.000 2.343 42 V HA -0.519 3.609 4.120 0.014 0.000 0.247 42 V C 1.463 177.569 176.094 0.020 0.000 1.051 42 V CA 4.191 66.500 62.300 0.015 0.000 1.036 42 V CB -0.359 31.461 31.823 -0.005 0.000 0.654 42 V HN -0.353 7.857 8.190 0.033 0.000 0.451 43 K N -0.675 119.738 120.400 0.021 0.000 2.032 43 K HA -0.470 3.866 4.320 0.027 0.000 0.209 43 K C 2.238 178.857 176.600 0.031 0.000 1.048 43 K CA 3.575 59.877 56.287 0.025 0.000 0.927 43 K CB -0.314 32.199 32.500 0.022 0.000 0.712 43 K HN -0.556 7.706 8.250 0.021 0.000 0.441 44 Q N -1.847 117.967 119.800 0.023 0.000 2.119 44 Q HA -0.284 4.071 4.340 0.023 0.000 0.201 44 Q C 2.688 178.718 176.000 0.051 0.000 0.972 44 Q CA 2.971 58.787 55.803 0.022 0.000 0.847 44 Q CB 0.159 28.892 28.738 -0.008 0.000 0.903 44 Q HN -0.236 8.045 8.270 0.017 0.000 0.433 45 I N 1.215 121.821 120.570 0.059 0.000 2.315 45 I HA -0.285 3.967 4.170 0.136 0.000 0.248 45 I C 1.435 177.660 176.117 0.180 0.000 1.117 45 I CA 1.385 62.748 61.300 0.106 0.000 1.404 45 I CB 0.071 38.105 38.000 0.057 0.000 1.071 45 I HN -0.338 7.898 8.210 0.043 0.000 0.419 46 I N 0.535 121.170 120.570 0.109 0.000 2.286 46 I HA -0.498 3.788 4.170 0.194 0.000 0.248 46 I C 1.763 177.969 176.117 0.149 0.000 1.115 46 I CA 3.775 65.159 61.300 0.141 0.000 1.392 46 I CB -0.165 37.879 38.000 0.074 0.000 1.065 46 I HN -0.376 7.874 8.210 0.067 0.000 0.418 47 A N -3.804 119.076 122.820 0.100 0.000 2.168 47 A HA -0.159 4.196 4.320 0.058 0.000 0.215 47 A C -0.256 177.366 177.584 0.064 0.000 1.152 47 A CA 0.466 52.542 52.037 0.066 0.000 0.716 47 A CB 0.046 19.070 19.000 0.041 0.000 0.794 47 A HN -0.372 7.816 8.150 0.086 0.014 0.465 48 N N -5.743 113.022 118.700 0.108 0.000 2.776 48 N HA -0.282 4.537 4.740 0.132 0.000 0.249 48 N C 0.376 175.913 175.510 0.045 0.000 1.111 48 N CA 1.204 54.299 53.050 0.075 0.000 0.711 48 N CB -0.710 37.769 38.487 -0.013 0.000 1.065 48 N HN -0.339 7.949 8.380 0.164 0.191 0.556 49 T N -4.182 110.396 114.554 0.041 0.000 3.060 49 T HA 0.072 4.428 4.350 0.010 0.000 0.249 49 T C -0.333 174.366 174.700 -0.002 0.000 1.079 49 T CA 1.081 63.189 62.100 0.013 0.000 1.013 49 T CB 0.585 69.454 68.868 0.002 0.000 0.975 49 T HN -0.154 8.097 8.240 0.052 0.020 0.518 50 V N -4.688 115.232 119.914 0.009 0.000 3.130 50 V HA 0.489 4.586 4.120 -0.039 0.000 0.310 50 V C -1.430 174.689 176.094 0.043 0.000 1.158 50 V CA -3.493 58.791 62.300 -0.026 0.000 1.029 50 V CB 2.896 34.650 31.823 -0.115 0.000 1.057 50 V HN -0.907 7.256 8.190 0.039 0.050 0.436 51 D N 0.077 120.506 120.400 0.049 0.000 2.224 51 D HA -0.074 4.675 4.640 0.181 0.000 0.205 51 D C -0.524 175.978 176.300 0.337 0.000 0.965 51 D CA 3.571 57.684 54.000 0.188 0.000 0.852 51 D CB 1.419 42.359 40.800 0.234 0.000 0.947 51 D HN -0.178 8.185 8.370 -0.011 0.000 0.494 52 F N -7.012 113.039 119.950 0.169 0.000 2.619 52 F HA 0.617 5.358 4.527 0.154 -0.121 0.308 52 F C -2.175 173.719 175.800 0.156 0.000 1.097 52 F CA -2.239 55.866 58.000 0.174 0.000 0.953 52 F CB 2.122 41.260 39.000 0.231 0.000 1.287 52 F HN -0.680 7.566 8.300 -0.089 0.000 0.446 53 G N -1.732 107.228 108.800 0.267 0.000 2.491 53 G HA2 0.695 4.897 3.960 0.107 0.000 0.327 53 G HA3 0.695 4.729 3.960 0.124 0.000 0.327 53 G C -2.628 172.455 174.900 0.306 0.000 1.189 53 G CA -2.260 42.951 45.100 0.185 0.000 0.956 53 G HN 0.370 8.827 8.290 0.279 0.000 0.491 54 A N -0.639 122.354 122.820 0.289 0.000 2.427 54 A HA 0.926 5.594 4.320 0.254 -0.196 0.298 54 A C -1.898 175.825 177.584 0.231 0.000 1.036 54 A CA -1.115 51.123 52.037 0.334 0.000 0.701 54 A CB 3.373 22.745 19.000 0.620 0.000 1.250 54 A HN -0.029 8.258 8.150 0.228 0.000 0.412 55 S N 2.528 118.335 115.700 0.178 0.000 2.548 55 S HA 0.491 5.033 4.470 0.119 0.000 0.276 55 S C -0.292 174.401 174.600 0.155 0.000 1.129 55 S CA -1.568 56.708 58.200 0.128 0.000 0.931 55 S CB 2.194 65.427 63.200 0.055 0.000 1.068 55 S HN 0.177 8.596 8.310 0.182 0.000 0.480 56 D N 7.300 127.738 120.400 0.063 0.000 2.234 56 D HA -0.089 4.515 4.640 -0.060 0.000 0.205 56 D C 0.280 176.663 176.300 0.138 0.000 0.962 56 D CA 2.001 55.989 54.000 -0.020 0.000 0.855 56 D CB 0.256 40.895 40.800 -0.269 0.000 0.951 56 D HN 0.305 8.706 8.370 0.052 0.000 0.500 57 A N 0.986 123.810 122.820 0.007 0.000 2.354 57 A HA 0.294 4.522 4.320 -0.152 0.000 0.281 57 A C -2.158 175.275 177.584 -0.252 0.000 1.174 57 A CA -2.403 49.492 52.037 -0.236 0.000 0.828 57 A CB -0.111 18.482 19.000 -0.678 0.000 1.099 57 A HN -0.787 7.353 8.150 -0.016 0.000 0.516 58 P HA -0.041 3.941 4.420 -0.928 -0.119 0.275 58 P C -1.392 175.655 177.300 -0.422 0.000 1.228 58 P CA -0.744 61.958 63.100 -0.662 0.000 0.786 58 P CB 0.864 32.115 31.700 -0.749 0.000 0.927 59 L N 2.044 123.044 121.223 -0.371 0.000 2.395 59 L HA 0.111 4.324 4.340 -0.211 0.000 0.269 59 L C 0.214 176.964 176.870 -0.200 0.000 1.133 59 L CA -0.547 54.152 54.840 -0.234 0.000 0.812 59 L CB 0.405 42.359 42.059 -0.174 0.000 1.125 59 L HN 0.048 8.360 8.230 -0.431 -0.341 0.452 60 S N 1.358 116.979 115.700 -0.131 0.000 2.589 60 S HA -0.127 4.284 4.470 -0.099 0.000 0.265 60 S C 0.581 175.138 174.600 -0.073 0.000 1.342 60 S CA -0.664 57.481 58.200 -0.092 0.000 1.005 60 S CB 1.246 64.411 63.200 -0.058 0.000 0.909 60 S HN -0.163 8.075 8.310 -0.119 0.000 0.555 61 D N 2.518 122.886 120.400 -0.052 0.000 2.133 61 D HA -0.334 4.289 4.640 -0.029 0.000 0.195 61 D C 2.379 178.672 176.300 -0.013 0.000 0.997 61 D CA 3.819 57.802 54.000 -0.028 0.000 0.840 61 D CB -0.387 40.402 40.800 -0.019 0.000 0.947 61 D HN 0.547 8.886 8.370 -0.052 0.000 0.452 62 E N -0.564 119.627 120.200 -0.015 0.000 2.047 62 E HA -0.296 4.056 4.350 0.003 0.000 0.191 62 E C 1.989 178.585 176.600 -0.005 0.000 0.987 62 E CA 2.887 59.284 56.400 -0.005 0.000 0.799 62 E CB -0.157 29.539 29.700 -0.006 0.000 0.752 62 E HN 0.032 8.367 8.360 -0.021 0.012 0.449 63 K N -0.072 120.316 120.400 -0.020 0.000 2.057 63 K HA -0.230 4.247 4.320 -0.011 -0.164 0.207 63 K C 2.512 179.103 176.600 -0.014 0.000 1.049 63 K CA 2.231 58.506 56.287 -0.021 0.000 0.931 63 K CB -0.475 32.000 32.500 -0.042 0.000 0.714 63 K HN -0.482 7.750 8.250 -0.029 0.000 0.440 64 L N -2.064 119.146 121.223 -0.022 0.000 2.013 64 L HA -0.428 3.903 4.340 -0.015 0.000 0.212 64 L C 2.026 178.915 176.870 0.033 0.000 1.073 64 L CA 3.247 58.084 54.840 -0.004 0.000 0.753 64 L CB -0.454 41.600 42.059 -0.007 0.000 0.890 64 L HN -0.107 8.101 8.230 -0.036 0.000 0.432 65 A N -2.257 120.585 122.820 0.035 0.000 1.933 65 A HA -0.332 4.029 4.320 0.068 0.000 0.218 65 A C 2.775 180.387 177.584 0.047 0.000 1.175 65 A CA 2.667 54.734 52.037 0.050 0.000 0.628 65 A CB -0.655 18.370 19.000 0.042 0.000 0.814 65 A HN -0.230 7.935 8.150 0.023 0.000 0.444 66 Q N -1.274 118.546 119.800 0.033 0.000 2.124 66 Q HA -0.285 4.076 4.340 0.035 0.000 0.202 66 Q C 2.024 178.052 176.000 0.047 0.000 0.977 66 Q CA 2.679 58.502 55.803 0.034 0.000 0.850 66 Q CB 0.188 28.939 28.738 0.022 0.000 0.901 66 Q HN -0.175 8.109 8.270 0.024 0.000 0.429 67 E N -4.446 115.782 120.200 0.047 0.000 2.474 67 E HA 0.103 4.499 4.350 0.077 0.000 0.195 67 E C 0.599 177.261 176.600 0.103 0.000 1.039 67 E CA -0.671 55.769 56.400 0.065 0.000 0.881 67 E CB 0.416 30.135 29.700 0.031 0.000 0.970 67 E HN -0.614 7.649 8.360 0.036 0.118 0.486 68 G N -1.127 107.734 108.800 0.101 0.000 2.198 68 G HA2 -0.411 3.626 3.960 0.128 0.000 0.260 68 G HA3 -0.411 3.658 3.960 0.182 0.000 0.260 68 G C -1.380 173.600 174.900 0.134 0.000 1.025 68 G CA 0.688 45.873 45.100 0.142 0.000 0.769 68 G HN -0.388 7.781 8.290 0.082 0.171 0.507 69 L N -2.702 118.564 121.223 0.071 0.000 2.352 69 L HA 0.811 5.309 4.340 0.006 -0.155 0.269 69 L C -1.750 175.230 176.870 0.183 0.000 1.034 69 L CA -1.148 53.716 54.840 0.041 0.000 0.806 69 L CB 2.188 44.212 42.059 -0.058 0.000 1.244 69 L HN -0.418 7.828 8.230 0.064 0.022 0.447 70 F N 0.598 120.601 119.950 0.087 0.000 2.540 70 F HA 0.354 4.976 4.527 0.158 0.000 0.317 70 F C -2.899 173.034 175.800 0.221 0.000 1.104 70 F CA -1.091 57.015 58.000 0.177 0.000 0.913 70 F CB 4.131 43.274 39.000 0.239 0.000 1.170 70 F HN 0.543 9.011 8.300 0.280 0.000 0.450 71 Q N 6.994 126.379 119.800 -0.693 0.000 2.377 71 Q HA 1.036 5.486 4.340 -0.228 -0.247 0.271 71 Q C -1.856 173.878 176.000 -0.443 0.000 1.077 71 Q CA -2.022 53.541 55.803 -0.401 0.000 0.820 71 Q CB 4.059 32.622 28.738 -0.292 0.000 1.347 71 Q HN 0.087 7.800 8.270 -0.928 0.000 0.444 72 F N -0.718 119.086 119.950 -0.244 0.000 2.608 72 F HA 0.590 4.770 4.527 -0.580 0.000 0.309 72 F C -3.494 172.206 175.800 -0.168 0.000 1.103 72 F CA -3.350 54.452 58.000 -0.330 0.000 0.954 72 F CB 1.557 40.428 39.000 -0.214 0.000 1.267 72 F HN 0.223 8.317 8.300 -0.343 0.000 0.444 73 P HA 0.795 5.077 4.420 -0.593 -0.218 0.279 73 P C -0.182 177.042 177.300 -0.125 0.000 1.252 73 P CA -0.910 61.964 63.100 -0.375 0.000 0.811 73 P CB 2.415 33.880 31.700 -0.392 0.000 1.035 74 T N -3.222 111.273 114.554 -0.098 0.000 3.182 74 T HA 0.140 4.689 4.350 0.332 0.000 0.244 74 T C -0.206 174.622 174.700 0.214 0.000 0.981 74 T CA 0.407 62.611 62.100 0.172 0.000 1.182 74 T CB 1.658 70.671 68.868 0.242 0.000 1.043 74 T HN 0.126 8.233 8.240 -0.221 0.000 0.424 75 V N -3.697 116.279 119.914 0.104 0.000 3.182 75 V HA 0.542 4.758 4.120 0.161 0.000 0.308 75 V C -2.591 173.595 176.094 0.154 0.000 1.240 75 V CA -2.914 59.467 62.300 0.134 0.000 1.063 75 V CB 3.170 35.022 31.823 0.048 0.000 1.076 75 V HN -0.754 7.456 8.190 0.033 0.000 0.446 76 I N -0.776 119.939 120.570 0.242 0.000 2.389 76 I HA 0.434 4.909 4.170 0.278 -0.138 0.288 76 I C -1.258 175.061 176.117 0.337 0.000 0.999 76 I CA -1.050 60.424 61.300 0.290 0.000 1.129 76 I CB 1.782 39.953 38.000 0.285 0.000 1.288 76 I HN 0.353 8.712 8.210 0.247 0.000 0.444 77 G N 4.931 113.936 108.800 0.340 0.000 3.013 77 G HA2 0.781 4.590 3.960 -0.252 0.000 0.278 77 G HA3 0.781 4.706 3.960 -0.217 -0.094 0.278 77 G C -2.488 172.097 174.900 -0.525 0.000 1.353 77 G CA -1.863 43.160 45.100 -0.127 0.000 1.043 77 G HN 0.552 9.136 8.290 0.489 0.000 0.523 78 G N -3.546 104.492 108.800 -1.269 0.000 2.638 78 G HA2 0.812 4.587 3.960 -0.518 0.000 0.302 78 G HA3 0.812 3.332 3.960 -2.400 0.000 0.302 78 G C -2.375 172.216 174.900 -0.515 0.000 1.365 78 G CA -0.767 43.611 45.100 -1.203 0.000 0.987 78 G HN -0.434 7.289 8.290 -1.309 -0.218 0.495 79 V N 3.289 123.225 119.914 0.038 0.000 2.439 79 V HA 0.546 4.868 4.120 0.069 -0.161 0.282 79 V C -0.523 175.779 176.094 0.345 0.000 1.039 79 V CA -1.105 61.305 62.300 0.182 0.000 0.913 79 V CB 0.729 32.731 31.823 0.298 0.000 0.983 79 V HN 0.512 8.821 8.190 0.197 0.000 0.460 80 V N 2.521 122.575 119.914 0.233 0.000 3.113 80 V HA 0.473 4.941 4.120 0.581 0.000 0.316 80 V C -2.320 173.944 176.094 0.284 0.000 1.125 80 V CA -3.312 59.186 62.300 0.331 0.000 1.026 80 V CB 3.700 35.603 31.823 0.134 0.000 1.080 80 V HN 0.897 9.170 8.190 0.139 0.000 0.444 81 L N 0.638 122.069 121.223 0.348 0.000 2.272 81 L HA 0.367 5.012 4.340 0.253 -0.153 0.284 81 L C -0.285 176.756 176.870 0.284 0.000 1.045 81 L CA -1.513 53.511 54.840 0.308 0.000 0.842 81 L CB -1.622 40.660 42.059 0.371 0.000 1.224 81 L HN 0.515 8.999 8.230 0.423 0.000 0.430 82 A N 6.046 128.989 122.820 0.205 0.000 2.440 82 A HA 0.464 5.106 4.320 0.214 -0.194 0.251 82 A C -1.253 176.417 177.584 0.143 0.000 1.089 82 A CA -0.547 51.591 52.037 0.169 0.000 0.779 82 A CB 1.240 20.304 19.000 0.107 0.000 1.022 82 A HN 0.461 8.709 8.150 0.163 0.000 0.492 83 V N -3.835 116.130 119.914 0.085 0.000 3.078 83 V HA 0.948 5.322 4.120 0.092 -0.199 0.311 83 V C -2.149 173.917 176.094 -0.046 0.000 1.138 83 V CA -3.248 59.063 62.300 0.019 0.000 1.007 83 V CB 3.533 35.289 31.823 -0.112 0.000 1.045 83 V HN 0.220 8.454 8.190 0.074 0.000 0.432 84 N N 1.485 120.148 118.700 -0.062 0.000 2.746 84 N HA 0.194 4.884 4.740 -0.085 0.000 0.250 84 N C -2.046 173.368 175.510 -0.160 0.000 1.146 84 N CA -1.242 51.765 53.050 -0.073 0.000 0.828 84 N CB 1.131 39.620 38.487 0.003 0.000 1.158 84 N HN -0.025 8.339 8.380 -0.026 0.000 0.519 85 I N 4.199 124.605 120.570 -0.273 0.000 2.382 85 I HA 0.400 4.331 4.170 -0.398 0.000 0.285 85 I C -2.157 173.829 176.117 -0.219 0.000 1.007 85 I CA -3.329 57.731 61.300 -0.401 0.000 1.142 85 I CB 2.524 40.099 38.000 -0.709 0.000 1.289 85 I HN -0.036 8.030 8.210 -0.240 0.000 0.453 86 P HA -0.033 4.347 4.420 -0.066 0.000 0.258 86 P C 0.084 177.337 177.300 -0.079 0.000 1.172 86 P CA 1.096 64.150 63.100 -0.076 0.000 0.762 86 P CB 0.149 31.830 31.700 -0.032 0.000 0.764 87 G N 1.843 110.602 108.800 -0.070 0.000 2.176 87 G HA2 -0.267 3.664 3.960 -0.048 0.000 0.253 87 G HA3 -0.267 3.665 3.960 -0.046 0.000 0.253 87 G C -0.639 174.218 174.900 -0.073 0.000 0.979 87 G CA -0.033 45.033 45.100 -0.057 0.000 0.641 87 G HN 0.193 8.442 8.290 -0.069 0.000 0.530 88 L N 0.796 121.957 121.223 -0.104 0.000 2.334 88 L HA 0.349 4.754 4.340 -0.090 -0.119 0.273 88 L C -0.861 175.938 176.870 -0.119 0.000 1.013 88 L CA -1.163 53.608 54.840 -0.113 0.000 0.816 88 L CB 3.111 45.075 42.059 -0.160 0.000 1.278 88 L HN -0.700 7.392 8.230 -0.121 0.065 0.431 89 K N 1.259 121.593 120.400 -0.110 0.000 2.210 89 K HA 0.294 4.542 4.320 -0.120 0.000 0.236 89 K C -0.494 176.005 176.600 -0.167 0.000 1.016 89 K CA -1.761 54.453 56.287 -0.122 0.000 0.913 89 K CB 1.210 33.652 32.500 -0.097 0.000 1.141 89 K HN -0.030 8.443 8.250 -0.097 -0.281 0.462 90 S N -0.691 114.882 115.700 -0.211 0.000 2.549 90 S HA -0.379 3.868 4.470 -0.372 0.000 0.286 90 S C 1.358 175.745 174.600 -0.355 0.000 1.314 90 S CA 2.101 60.083 58.200 -0.363 0.000 1.062 90 S CB -0.124 62.802 63.200 -0.457 0.000 0.865 90 S HN -0.025 8.177 8.310 -0.181 0.000 0.498 91 G N 7.662 116.220 108.800 -0.403 0.000 2.179 91 G HA2 -0.418 3.516 3.960 -0.143 0.000 0.260 91 G HA3 -0.418 3.428 3.960 -0.190 0.000 0.260 91 G C 0.214 175.074 174.900 -0.066 0.000 0.977 91 G CA 0.363 45.341 45.100 -0.203 0.000 0.641 91 G HN 0.497 8.517 8.290 -0.449 0.000 0.533 92 E N -0.528 119.622 120.200 -0.083 0.000 2.086 92 E HA -0.202 4.132 4.350 -0.026 0.000 0.190 92 E C 0.041 176.637 176.600 -0.006 0.000 0.975 92 E CA 1.092 57.467 56.400 -0.042 0.000 0.813 92 E CB 0.579 30.243 29.700 -0.060 0.000 0.768 92 E HN -0.585 7.638 8.360 -0.125 0.062 0.457 93 L N -0.352 120.865 121.223 -0.010 0.000 2.380 93 L HA -0.057 4.445 4.340 0.035 -0.141 0.273 93 L C -1.595 175.331 176.870 0.092 0.000 1.138 93 L CA 0.471 55.331 54.840 0.033 0.000 0.832 93 L CB 1.359 43.423 42.059 0.010 0.000 1.124 93 L HN -0.297 7.908 8.230 -0.042 0.000 0.454 94 V N 5.076 125.052 119.914 0.104 0.000 2.483 94 V HA 0.175 4.541 4.120 0.143 -0.160 0.295 94 V C -1.248 174.930 176.094 0.140 0.000 1.035 94 V CA -1.588 60.785 62.300 0.122 0.000 0.896 94 V CB 1.060 32.939 31.823 0.094 0.000 0.986 94 V HN 0.123 8.737 8.190 0.091 -0.369 0.447 95 L N 3.719 125.032 121.223 0.151 0.000 2.323 95 L HA 0.368 4.793 4.340 0.141 0.000 0.265 95 L C -2.068 174.861 176.870 0.099 0.000 1.012 95 L CA -1.612 53.316 54.840 0.147 0.000 0.820 95 L CB 3.744 45.924 42.059 0.203 0.000 1.334 95 L HN -0.049 8.275 8.230 0.157 0.000 0.427 96 D N -1.727 118.722 120.400 0.082 0.000 2.449 96 D HA 0.173 4.843 4.640 0.049 0.000 0.250 96 D C 1.165 177.500 176.300 0.059 0.000 1.050 96 D CA -1.816 52.217 54.000 0.055 0.000 1.024 96 D CB 1.394 42.214 40.800 0.032 0.000 1.218 96 D HN -0.071 8.350 8.370 0.086 0.000 0.566 97 G N -1.873 106.948 108.800 0.035 0.000 2.421 97 G HA2 -0.465 3.525 3.960 0.050 0.000 0.216 97 G HA3 -0.465 3.400 3.960 -0.159 0.000 0.216 97 G C 1.017 175.852 174.900 -0.107 0.000 1.171 97 G CA 2.427 47.498 45.100 -0.047 0.000 0.775 97 G HN 0.655 8.962 8.290 0.029 0.000 0.543 98 K N 1.493 121.847 120.400 -0.077 0.000 2.026 98 K HA -0.215 4.165 4.320 -0.086 -0.112 0.208 98 K C 2.442 179.033 176.600 -0.014 0.000 1.048 98 K CA 2.079 58.332 56.287 -0.058 0.000 0.929 98 K CB -0.941 31.536 32.500 -0.037 0.000 0.713 98 K HN -0.151 8.063 8.250 -0.061 0.000 0.439 99 T N 2.385 116.948 114.554 0.015 0.000 2.821 99 T HA -0.241 4.129 4.350 0.034 0.000 0.267 99 T C 1.791 176.533 174.700 0.070 0.000 1.046 99 T CA 4.513 66.639 62.100 0.042 0.000 1.139 99 T CB -0.141 68.761 68.868 0.057 0.000 0.871 99 T HN -0.362 8.192 8.240 0.015 -0.306 0.454 100 L N 1.617 122.892 121.223 0.087 0.000 2.042 100 L HA -0.327 4.142 4.340 0.216 0.000 0.210 100 L C 1.561 178.506 176.870 0.124 0.000 1.076 100 L CA 3.257 58.188 54.840 0.152 0.000 0.749 100 L CB -0.565 41.585 42.059 0.152 0.000 0.893 100 L HN 0.026 8.300 8.230 0.073 0.000 0.432 101 G N -2.642 106.144 108.800 -0.024 0.000 2.422 101 G HA2 -0.444 3.410 3.960 -0.177 0.000 0.218 101 G HA3 -0.444 3.459 3.960 -0.096 0.000 0.218 101 G C 0.916 175.898 174.900 0.137 0.000 1.146 101 G CA 2.381 47.453 45.100 -0.047 0.000 0.769 101 G HN 0.181 8.435 8.290 -0.061 0.000 0.547 102 D N 2.370 122.829 120.400 0.098 0.000 2.178 102 D HA -0.198 4.514 4.640 0.121 0.000 0.202 102 D C 2.067 178.420 176.300 0.089 0.000 0.974 102 D CA 3.020 57.078 54.000 0.096 0.000 0.841 102 D CB -0.498 40.332 40.800 0.050 0.000 0.953 102 D HN -0.418 7.911 8.370 0.062 0.078 0.478 103 I N 0.385 121.005 120.570 0.083 0.000 2.179 103 I HA -0.426 3.705 4.170 -0.066 0.000 0.242 103 I C 2.705 178.840 176.117 0.030 0.000 1.088 103 I CA 4.097 65.400 61.300 0.007 0.000 1.357 103 I CB 0.287 38.276 38.000 -0.019 0.000 1.051 103 I HN -0.176 8.093 8.210 0.099 0.000 0.409 104 Y N -2.258 118.126 120.300 0.141 0.000 2.497 104 Y HA -0.302 4.416 4.550 0.280 0.000 0.292 104 Y C 1.362 177.535 175.900 0.455 0.000 1.137 104 Y CA 3.697 61.971 58.100 0.291 0.000 1.285 104 Y CB -0.203 38.384 38.460 0.212 0.000 0.991 104 Y HN -0.543 7.986 8.280 0.416 0.000 0.556 105 L N -5.820 115.670 121.223 0.446 0.000 2.492 105 L HA -0.199 4.374 4.340 0.389 0.000 0.223 105 L C 0.780 177.748 176.870 0.163 0.000 1.132 105 L CA 0.776 55.813 54.840 0.328 0.000 0.850 105 L CB 0.158 42.368 42.059 0.253 0.000 0.966 105 L HN -0.529 7.797 8.230 0.368 0.125 0.454 106 G N -2.351 106.509 108.800 0.100 0.000 2.157 106 G HA2 -0.347 3.603 3.960 -0.017 0.000 0.248 106 G HA3 -0.347 3.632 3.960 0.031 0.000 0.248 106 G C -0.182 174.720 174.900 0.005 0.000 0.979 106 G CA 0.597 45.711 45.100 0.023 0.000 0.650 106 G HN -0.424 7.754 8.290 0.105 0.175 0.529 107 K N -0.813 119.599 120.400 0.020 0.000 2.228 107 K HA -0.130 4.193 4.320 0.004 0.000 0.202 107 K C 0.448 177.036 176.600 -0.020 0.000 1.051 107 K CA 1.479 57.770 56.287 0.007 0.000 0.960 107 K CB 0.559 33.073 32.500 0.023 0.000 0.743 107 K HN -0.444 7.783 8.250 0.045 0.050 0.458 108 I N -0.803 119.740 120.570 -0.044 0.000 2.330 108 I HA 0.151 4.282 4.170 -0.065 0.000 0.289 108 I C -0.521 175.510 176.117 -0.144 0.000 1.001 108 I CA -0.653 60.597 61.300 -0.084 0.000 1.193 108 I CB 0.791 38.740 38.000 -0.085 0.000 1.345 108 I HN -0.836 7.352 8.210 -0.037 0.000 0.461 109 K N 5.972 126.292 120.400 -0.134 0.000 2.367 109 K HA 0.086 4.301 4.320 -0.176 0.000 0.195 109 K C -0.806 175.676 176.600 -0.198 0.000 1.060 109 K CA 0.663 56.859 56.287 -0.153 0.000 1.022 109 K CB 1.317 33.765 32.500 -0.085 0.000 0.894 109 K HN 0.507 8.696 8.250 -0.102 0.000 0.540 110 K N -1.237 119.053 120.400 -0.184 0.000 2.385 110 K HA 0.435 4.799 4.320 -0.169 -0.145 0.248 110 K C 0.556 177.061 176.600 -0.159 0.000 0.955 110 K CA -1.555 54.645 56.287 -0.145 0.000 0.816 110 K CB 3.196 35.682 32.500 -0.023 0.000 1.250 110 K HN -0.727 7.430 8.250 -0.154 0.000 0.434 111 W N 2.400 123.710 121.300 0.018 0.000 2.699 111 W HA -0.293 4.383 4.660 0.028 0.000 0.249 111 W C -0.558 175.975 176.519 0.023 0.000 1.280 111 W CA 2.381 59.739 57.345 0.023 0.000 1.345 111 W CB 0.199 29.672 29.460 0.022 0.000 1.128 111 W HN 0.507 8.773 8.180 0.143 0.000 0.642 112 D N -6.210 114.311 120.400 0.202 0.000 2.427 112 D HA -0.045 4.686 4.640 0.151 0.000 0.224 112 D C -0.697 175.651 176.300 0.080 0.000 1.157 112 D CA -1.507 52.574 54.000 0.134 0.000 0.828 112 D CB -0.784 40.080 40.800 0.106 0.000 0.974 112 D HN -0.606 7.819 8.370 0.168 0.046 0.498 113 D N 1.022 121.456 120.400 0.057 0.000 2.548 113 D HA -0.259 4.392 4.640 0.018 0.000 0.231 113 D C 1.274 177.598 176.300 0.040 0.000 1.142 113 D CA 1.315 55.331 54.000 0.027 0.000 0.866 113 D CB 2.074 42.869 40.800 -0.008 0.000 1.190 113 D HN -0.753 7.574 8.370 0.056 0.076 0.469 114 E N 5.534 125.752 120.200 0.030 0.000 2.118 114 E HA -0.320 4.052 4.350 0.036 0.000 0.195 114 E C 1.206 177.827 176.600 0.035 0.000 0.992 114 E CA 2.650 59.069 56.400 0.032 0.000 0.804 114 E CB -0.411 29.302 29.700 0.022 0.000 0.741 114 E HN 0.539 8.912 8.360 0.022 0.000 0.458 115 A N -1.553 121.286 122.820 0.031 0.000 1.969 115 A HA -0.177 4.162 4.320 0.032 0.000 0.218 115 A C 2.325 179.942 177.584 0.055 0.000 1.169 115 A CA 2.722 54.781 52.037 0.035 0.000 0.635 115 A CB -0.760 18.257 19.000 0.028 0.000 0.810 115 A HN 0.178 8.658 8.150 0.024 -0.315 0.445 116 I N -0.996 119.617 120.570 0.071 0.000 2.286 116 I HA -0.527 3.712 4.170 0.116 0.000 0.245 116 I C 1.607 177.784 176.117 0.101 0.000 1.104 116 I CA 3.293 64.660 61.300 0.111 0.000 1.397 116 I CB -0.074 38.026 38.000 0.167 0.000 1.072 116 I HN -0.694 7.553 8.210 0.060 0.000 0.417 117 A N -0.961 121.909 122.820 0.083 0.000 1.902 117 A HA -0.265 4.099 4.320 0.074 0.000 0.217 117 A C 2.326 179.943 177.584 0.055 0.000 1.181 117 A CA 2.952 55.030 52.037 0.068 0.000 0.623 117 A CB -0.428 18.606 19.000 0.055 0.000 0.818 117 A HN -0.099 8.097 8.150 0.078 0.000 0.443 118 K N -1.207 119.222 120.400 0.048 0.000 2.147 118 K HA -0.281 4.060 4.320 0.035 0.000 0.205 118 K C 1.311 177.936 176.600 0.042 0.000 1.049 118 K CA 2.516 58.827 56.287 0.039 0.000 0.936 118 K CB -0.513 32.006 32.500 0.032 0.000 0.722 118 K HN -0.222 8.057 8.250 0.049 0.000 0.446 119 L N -2.733 118.522 121.223 0.053 0.000 2.376 119 L HA -0.125 4.244 4.340 0.048 0.000 0.219 119 L C 0.240 177.145 176.870 0.058 0.000 1.133 119 L CA 1.185 56.059 54.840 0.057 0.000 0.816 119 L CB 0.079 42.181 42.059 0.072 0.000 0.933 119 L HN -0.485 7.766 8.230 0.060 0.015 0.449 120 N N -3.552 115.183 118.700 0.058 0.000 2.679 120 N HA 0.409 5.178 4.740 0.048 0.000 0.302 120 N C -1.420 174.115 175.510 0.042 0.000 1.941 120 N CA -1.508 51.574 53.050 0.053 0.000 0.875 120 N CB 1.618 40.143 38.487 0.064 0.000 1.278 120 N HN -0.551 7.667 8.380 0.059 0.198 0.490 121 P HA 0.132 4.660 4.420 0.032 -0.089 0.222 121 P C 0.396 177.711 177.300 0.025 0.000 1.147 121 P CA 1.548 64.665 63.100 0.029 0.000 0.790 121 P CB 0.198 31.913 31.700 0.025 0.000 0.780 122 G N -3.198 105.616 108.800 0.022 0.000 3.088 122 G HA2 0.009 3.978 3.960 0.016 0.000 0.212 122 G HA3 0.009 3.977 3.960 0.014 0.000 0.212 122 G C -0.597 174.312 174.900 0.015 0.000 1.173 122 G CA -0.569 44.541 45.100 0.017 0.000 0.779 122 G HN -0.227 8.062 8.290 0.024 0.015 0.540 123 L N 0.125 121.360 121.223 0.020 0.000 2.325 123 L HA 0.184 4.529 4.340 0.009 0.000 0.278 123 L C -0.542 176.340 176.870 0.020 0.000 1.023 123 L CA -0.628 54.222 54.840 0.016 0.000 0.811 123 L CB 1.724 43.795 42.059 0.020 0.000 1.249 123 L HN -0.707 7.464 8.230 0.026 0.074 0.431 124 K N 3.140 123.547 120.400 0.012 0.000 2.273 124 K HA 0.066 4.400 4.320 0.023 0.000 0.287 124 K C -1.526 175.085 176.600 0.019 0.000 1.089 124 K CA -0.679 55.618 56.287 0.016 0.000 0.909 124 K CB -0.575 31.930 32.500 0.009 0.000 1.123 124 K HN 0.241 8.494 8.250 0.005 0.000 0.473 125 L N 6.276 127.523 121.223 0.040 0.000 2.307 125 L HA 0.365 4.729 4.340 0.041 0.000 0.282 125 L C -1.300 175.613 176.870 0.072 0.000 1.051 125 L CA -3.010 51.867 54.840 0.063 0.000 0.804 125 L CB 0.149 42.273 42.059 0.109 0.000 1.197 125 L HN 0.080 8.337 8.230 0.044 0.000 0.431 126 P HA 0.113 4.568 4.420 0.059 0.000 0.276 126 P C -0.757 176.619 177.300 0.127 0.000 1.244 126 P CA -1.067 62.081 63.100 0.081 0.000 0.801 126 P CB 0.920 32.655 31.700 0.058 0.000 1.006 127 S N 1.134 116.891 115.700 0.095 0.000 3.324 127 S HA -0.028 4.759 4.470 0.097 -0.259 0.229 127 S C -0.832 173.830 174.600 0.103 0.000 1.417 127 S CA -0.035 58.219 58.200 0.091 0.000 1.211 127 S CB -1.338 61.897 63.200 0.057 0.000 1.157 127 S HN 0.257 8.611 8.310 0.073 0.000 0.491 128 Q N 1.686 121.586 119.800 0.166 0.000 2.257 128 Q HA 0.127 4.548 4.340 0.136 0.000 0.255 128 Q C -1.796 174.320 176.000 0.194 0.000 0.920 128 Q CA -1.576 54.346 55.803 0.198 0.000 0.927 128 Q CB 1.816 30.713 28.738 0.266 0.000 1.229 128 Q HN -0.743 7.567 8.270 0.213 0.088 0.433 129 N N 5.930 124.695 118.700 0.107 0.000 2.412 129 N HA -0.124 4.744 4.740 -0.026 -0.144 0.254 129 N C -0.185 175.333 175.510 0.014 0.000 1.232 129 N CA 1.173 54.239 53.050 0.026 0.000 0.880 129 N CB 0.632 39.129 38.487 0.016 0.000 1.076 129 N HN 0.407 8.845 8.380 0.096 0.000 0.458 130 I N 1.429 121.865 120.570 -0.222 0.000 2.416 130 I HA -0.070 4.166 4.170 -0.188 -0.178 0.288 130 I C -0.151 175.889 176.117 -0.128 0.000 1.051 130 I CA 0.370 61.471 61.300 -0.331 0.000 1.375 130 I CB 0.348 37.912 38.000 -0.727 0.000 1.407 130 I HN 0.114 8.061 8.210 -0.257 0.109 0.516 131 A N 9.780 132.596 122.820 -0.007 0.000 2.412 131 A HA 0.367 4.646 4.320 -0.067 0.000 0.334 131 A C -1.280 176.247 177.584 -0.096 0.000 1.419 131 A CA -1.520 50.495 52.037 -0.036 0.000 0.930 131 A CB 0.448 19.465 19.000 0.028 0.000 1.149 131 A HN 0.321 8.425 8.150 0.106 0.110 0.515 132 V N 5.767 125.565 119.914 -0.192 0.000 2.637 132 V HA 0.082 4.136 4.120 -0.302 -0.115 0.296 132 V C -0.756 175.159 176.094 -0.298 0.000 1.046 132 V CA 0.636 62.752 62.300 -0.307 0.000 1.066 132 V CB 0.482 32.039 31.823 -0.444 0.000 0.968 132 V HN 0.366 8.446 8.190 -0.184 0.000 0.483 133 V N 6.255 125.998 119.914 -0.285 0.000 2.604 133 V HA 0.639 4.619 4.120 -0.499 -0.159 0.305 133 V C -1.335 174.558 176.094 -0.336 0.000 1.043 133 V CA -2.005 60.060 62.300 -0.392 0.000 0.888 133 V CB 2.022 33.599 31.823 -0.410 0.000 0.995 133 V HN 0.465 8.524 8.190 -0.218 0.000 0.429 134 R N 3.489 123.687 120.500 -0.503 0.000 2.846 134 R HA 0.451 4.363 4.340 -0.714 0.000 0.263 134 R C -1.780 174.147 176.300 -0.621 0.000 1.080 134 R CA -2.622 53.074 56.100 -0.673 0.000 0.961 134 R CB 2.177 31.794 30.300 -1.138 0.000 1.231 134 R HN 0.948 8.897 8.270 -0.534 0.000 0.465 135 R N -0.493 119.732 120.500 -0.459 0.000 2.390 135 R HA 0.348 4.747 4.340 -0.211 -0.187 0.291 135 R C 0.304 176.564 176.300 -0.067 0.000 1.070 135 R CA -1.705 54.293 56.100 -0.171 0.000 1.014 135 R CB 0.269 30.610 30.300 0.067 0.000 1.007 135 R HN -0.153 7.893 8.270 -0.374 0.000 0.466 136 A N 4.114 126.921 122.820 -0.021 0.000 1.935 136 A HA -0.067 4.289 4.320 0.059 0.000 0.214 136 A C -0.095 177.555 177.584 0.110 0.000 1.178 136 A CA 1.355 53.423 52.037 0.051 0.000 0.640 136 A CB 0.443 19.468 19.000 0.043 0.000 0.825 136 A HN 0.559 8.576 8.150 -0.041 0.109 0.447 137 D N -0.950 119.511 120.400 0.102 0.000 2.294 137 D HA 0.033 4.737 4.640 0.106 0.000 0.250 137 D C -0.170 176.224 176.300 0.157 0.000 1.058 137 D CA -0.915 53.152 54.000 0.111 0.000 0.950 137 D CB 0.951 41.797 40.800 0.078 0.000 1.158 137 D HN -0.716 7.699 8.370 0.076 0.000 0.453 138 G N -2.506 106.378 108.800 0.141 0.000 2.334 138 G HA2 -0.060 4.159 3.960 0.193 0.000 0.261 138 G HA3 -0.060 3.978 3.960 0.130 0.000 0.261 138 G C -0.973 174.024 174.900 0.162 0.000 1.257 138 G CA 0.120 45.315 45.100 0.158 0.000 0.935 138 G HN 0.257 8.616 8.290 0.115 0.000 0.480 139 S N 4.553 120.382 115.700 0.214 0.000 2.571 139 S HA 0.313 4.893 4.470 0.183 0.000 0.284 139 S C 0.542 175.297 174.600 0.258 0.000 1.128 139 S CA -1.513 56.823 58.200 0.227 0.000 0.970 139 S CB 2.218 65.582 63.200 0.274 0.000 1.039 139 S HN -0.307 8.040 8.310 0.245 0.110 0.485 140 G N 5.266 114.189 108.800 0.205 0.000 2.421 140 G HA2 -0.118 3.978 3.960 0.227 0.000 0.217 140 G HA3 -0.118 4.033 3.960 0.118 -0.120 0.217 140 G C 0.721 175.776 174.900 0.259 0.000 1.143 140 G CA 2.451 47.671 45.100 0.200 0.000 0.784 140 G HN 0.776 9.170 8.290 0.173 0.000 0.541 141 T N 4.276 119.002 114.554 0.286 0.000 2.746 141 T HA -0.372 4.190 4.350 0.353 0.000 0.267 141 T C 1.951 176.882 174.700 0.384 0.000 1.039 141 T CA 5.190 67.514 62.100 0.372 0.000 1.142 141 T CB -0.382 68.740 68.868 0.423 0.000 0.866 141 T HN -0.568 7.833 8.240 0.269 0.000 0.444 142 S N 3.355 119.324 115.700 0.448 0.000 2.382 142 S HA -0.332 4.329 4.470 0.319 0.000 0.228 142 S C 1.677 176.468 174.600 0.317 0.000 1.027 142 S CA 3.189 61.652 58.200 0.438 0.000 0.991 142 S CB -0.192 63.371 63.200 0.606 0.000 0.823 142 S HN -0.376 8.201 8.310 0.445 0.000 0.469 143 F N 3.852 123.913 119.950 0.185 0.000 2.102 143 F HA -0.283 4.465 4.527 0.106 -0.157 0.298 143 F C 1.522 177.379 175.800 0.093 0.000 1.105 143 F CA 3.283 61.353 58.000 0.116 0.000 1.239 143 F CB 0.252 39.306 39.000 0.090 0.000 0.991 143 F HN -0.409 8.087 8.300 0.464 0.082 0.474 144 V N -1.241 118.800 119.914 0.212 0.000 2.295 144 V HA -0.516 3.641 4.120 0.063 0.000 0.246 144 V C 1.820 177.939 176.094 0.041 0.000 1.049 144 V CA 4.051 66.420 62.300 0.116 0.000 1.024 144 V CB -0.871 31.066 31.823 0.191 0.000 0.648 144 V HN -0.092 8.297 8.190 0.332 0.000 0.447 145 F N 0.925 120.804 119.950 -0.118 0.000 2.102 145 F HA -0.339 4.077 4.527 -0.185 0.000 0.298 145 F C 1.367 176.993 175.800 -0.290 0.000 1.105 145 F CA 4.057 61.899 58.000 -0.263 0.000 1.239 145 F CB 0.051 38.667 39.000 -0.639 0.000 0.991 145 F HN 0.253 8.678 8.300 0.207 0.000 0.474 146 T N -1.639 112.771 114.554 -0.240 0.000 2.951 146 T HA -0.352 3.671 4.350 -0.546 0.000 0.268 146 T C 2.255 176.769 174.700 -0.309 0.000 1.073 146 T CA 3.963 65.886 62.100 -0.296 0.000 1.134 146 T CB -0.656 68.200 68.868 -0.020 0.000 0.884 146 T HN 0.202 8.411 8.240 -0.052 0.000 0.479 147 S N 4.210 119.699 115.700 -0.352 0.000 2.370 147 S HA -0.261 4.011 4.470 -0.331 0.000 0.226 147 S C 1.455 175.911 174.600 -0.241 0.000 1.033 147 S CA 4.199 62.200 58.200 -0.331 0.000 1.011 147 S CB -0.275 62.698 63.200 -0.378 0.000 0.852 147 S HN -0.322 7.767 8.310 -0.368 0.000 0.457 148 Y N 3.112 123.200 120.300 -0.354 0.000 2.114 148 Y HA -0.340 4.046 4.550 -0.273 0.000 0.284 148 Y C 1.399 177.031 175.900 -0.445 0.000 1.143 148 Y CA 3.159 61.041 58.100 -0.363 0.000 1.135 148 Y CB 0.022 38.258 38.460 -0.373 0.000 0.980 148 Y HN -0.501 7.696 8.280 -0.138 0.000 0.499 149 L N -2.641 118.100 121.223 -0.804 0.000 2.079 149 L HA -0.525 3.210 4.340 -1.008 0.000 0.210 149 L C 2.175 178.702 176.870 -0.570 0.000 1.081 149 L CA 2.730 56.998 54.840 -0.954 0.000 0.752 149 L CB -0.443 40.700 42.059 -1.527 0.000 0.896 149 L HN -0.083 7.698 8.230 -0.748 0.000 0.433 150 A N -3.644 118.984 122.820 -0.321 0.000 2.019 150 A HA -0.254 4.091 4.320 0.042 0.000 0.219 150 A C 1.166 178.638 177.584 -0.186 0.000 1.164 150 A CA 2.528 54.506 52.037 -0.100 0.000 0.644 150 A CB -0.468 18.503 19.000 -0.048 0.000 0.805 150 A HN -0.180 7.751 8.150 -0.348 0.010 0.449 151 K N -3.582 116.640 120.400 -0.296 0.000 2.155 151 K HA -0.163 4.045 4.320 -0.186 0.000 0.203 151 K C 0.878 177.304 176.600 -0.290 0.000 1.052 151 K CA 2.292 58.419 56.287 -0.266 0.000 0.948 151 K CB 0.242 32.578 32.500 -0.274 0.000 0.728 151 K HN -0.548 7.356 8.250 -0.369 0.124 0.448 152 V N -8.548 111.114 119.914 -0.420 0.000 3.605 152 V HA 0.214 4.171 4.120 -0.273 0.000 0.284 152 V C -0.803 175.144 176.094 -0.246 0.000 1.386 152 V CA -0.613 61.465 62.300 -0.371 0.000 1.053 152 V CB 1.328 32.815 31.823 -0.559 0.000 0.857 152 V HN -0.682 7.050 8.190 -0.520 0.146 0.436 153 N N 0.970 119.551 118.700 -0.198 0.000 2.533 153 N HA 0.166 4.863 4.740 -0.072 0.000 0.289 153 N C -0.184 175.319 175.510 -0.010 0.000 1.103 153 N CA -0.232 52.770 53.050 -0.080 0.000 0.877 153 N CB 2.142 40.594 38.487 -0.058 0.000 1.419 153 N HN -0.458 7.789 8.380 -0.222 0.000 0.517 154 E N 6.800 126.988 120.200 -0.020 0.000 2.106 154 E HA -0.362 3.972 4.350 -0.027 0.000 0.192 154 E C 1.366 177.966 176.600 0.000 0.000 0.984 154 E CA 3.736 60.125 56.400 -0.018 0.000 0.806 154 E CB 0.114 29.796 29.700 -0.030 0.000 0.750 154 E HN 0.564 8.906 8.360 -0.030 0.000 0.458 155 E N 0.575 120.786 120.200 0.018 0.000 2.077 155 E HA -0.299 4.039 4.350 -0.021 0.000 0.193 155 E C 1.834 178.439 176.600 0.008 0.000 0.989 155 E CA 2.794 59.199 56.400 0.009 0.000 0.800 155 E CB -0.135 29.580 29.700 0.025 0.000 0.746 155 E HN -0.401 8.030 8.360 0.020 -0.058 0.452 156 W N 0.638 121.884 121.300 -0.090 0.000 2.354 156 W HA -0.380 4.225 4.660 -0.091 0.000 0.315 156 W C 1.551 177.989 176.519 -0.135 0.000 1.206 156 W CA 3.918 61.196 57.345 -0.111 0.000 1.290 156 W CB 0.165 29.541 29.460 -0.140 0.000 1.152 156 W HN 0.049 8.701 8.180 0.224 -0.338 0.489 157 K N -0.584 119.873 120.400 0.095 0.000 2.044 157 K HA -0.545 3.795 4.320 0.033 0.000 0.210 157 K C 2.667 179.201 176.600 -0.110 0.000 1.049 157 K CA 3.697 59.981 56.287 -0.005 0.000 0.927 157 K CB -0.257 32.232 32.500 -0.017 0.000 0.713 157 K HN -0.229 8.111 8.250 0.149 0.000 0.443 158 N N -2.841 115.796 118.700 -0.105 0.000 2.416 158 N HA -0.092 4.587 4.740 -0.102 0.000 0.177 158 N C 1.532 176.946 175.510 -0.159 0.000 1.036 158 N CA 2.157 55.139 53.050 -0.113 0.000 0.901 158 N CB 0.059 38.497 38.487 -0.080 0.000 0.976 158 N HN -0.120 8.201 8.380 -0.078 0.012 0.444 159 N N -2.887 115.676 118.700 -0.228 0.000 2.407 159 N HA 0.029 4.648 4.740 -0.201 0.000 0.182 159 N C 0.488 175.763 175.510 -0.392 0.000 1.079 159 N CA 1.632 54.525 53.050 -0.261 0.000 0.882 159 N CB 2.508 40.859 38.487 -0.226 0.000 1.106 159 N HN -0.373 7.860 8.380 -0.246 0.000 0.461 160 V N -3.345 116.194 119.914 -0.625 0.000 2.996 160 V HA 0.225 3.967 4.120 -0.630 0.000 0.235 160 V C 0.602 176.336 176.094 -0.600 0.000 1.205 160 V CA 0.452 62.253 62.300 -0.832 0.000 1.225 160 V CB 1.818 32.605 31.823 -1.727 0.000 0.995 160 V HN -0.241 7.561 8.190 -0.647 0.000 0.484 161 G N -0.423 108.066 108.800 -0.518 0.000 2.593 161 G HA2 -0.318 3.655 3.960 -0.149 0.000 0.237 161 G HA3 -0.318 3.522 3.960 -0.200 0.000 0.237 161 G C -2.291 172.556 174.900 -0.088 0.000 1.312 161 G CA -0.008 44.960 45.100 -0.220 0.000 0.896 161 G HN 0.021 7.919 8.290 -0.655 0.000 0.574 162 T N 2.770 117.267 114.554 -0.095 0.000 2.856 162 T HA 0.116 4.403 4.350 -0.105 0.000 0.283 162 T C -0.470 174.181 174.700 -0.082 0.000 1.008 162 T CA -0.681 61.339 62.100 -0.134 0.000 0.997 162 T CB 1.581 70.299 68.868 -0.250 0.000 0.992 162 T HN -0.019 8.160 8.240 -0.101 0.000 0.454 163 G N 3.086 111.865 108.800 -0.035 0.000 2.368 163 G HA2 0.251 4.414 3.960 0.337 0.000 0.293 163 G HA3 0.251 4.278 3.960 0.112 0.000 0.293 163 G C -1.202 173.890 174.900 0.319 0.000 1.467 163 G CA -0.322 44.889 45.100 0.185 0.000 0.804 163 G HN 0.130 8.365 8.290 -0.090 0.000 0.535 164 S N -0.133 115.804 115.700 0.395 0.000 2.453 164 S HA -0.007 4.870 4.470 0.397 -0.169 0.231 164 S C -0.501 174.271 174.600 0.285 0.000 1.005 164 S CA 2.182 60.581 58.200 0.332 0.000 0.949 164 S CB 0.558 63.891 63.200 0.221 0.000 0.774 164 S HN 0.309 8.850 8.310 0.385 0.000 0.510 165 T N -0.108 114.574 114.554 0.213 0.000 2.916 165 T HA 0.224 4.760 4.350 0.309 0.000 0.298 165 T C -1.754 172.971 174.700 0.042 0.000 1.031 165 T CA -0.173 62.045 62.100 0.197 0.000 0.993 165 T CB 1.774 70.738 68.868 0.160 0.000 1.045 165 T HN -0.774 7.543 8.240 0.180 0.031 0.454 166 V N 1.637 121.484 119.914 -0.111 0.000 3.167 166 V HA 0.421 4.411 4.120 -0.216 0.000 0.310 166 V C -1.938 173.931 176.094 -0.375 0.000 1.207 166 V CA -2.641 59.450 62.300 -0.349 0.000 1.059 166 V CB 2.599 34.056 31.823 -0.609 0.000 1.079 166 V HN 0.096 8.269 8.190 -0.028 0.000 0.446 167 K N 2.187 122.387 120.400 -0.333 0.000 2.183 167 K HA 0.005 4.292 4.320 -0.055 0.000 0.272 167 K C -0.449 176.025 176.600 -0.211 0.000 1.113 167 K CA -0.845 55.333 56.287 -0.182 0.000 0.949 167 K CB -0.865 31.554 32.500 -0.136 0.000 1.365 167 K HN 0.117 8.160 8.250 -0.344 0.000 0.420 168 W N 5.573 126.906 121.300 0.055 0.000 2.322 168 W HA -0.030 4.722 4.660 0.153 0.000 0.328 168 W C -1.159 175.396 176.519 0.061 0.000 1.395 168 W CA -1.461 55.959 57.345 0.124 0.000 1.267 168 W CB -0.680 28.905 29.460 0.210 0.000 1.259 168 W HN -0.330 7.954 8.180 0.174 0.000 0.560 169 P HA -0.125 4.334 4.420 0.065 0.000 0.218 169 P C -0.827 176.574 177.300 0.169 0.000 1.149 169 P CA 0.838 64.023 63.100 0.142 0.000 0.817 169 P CB 0.456 32.232 31.700 0.128 0.000 0.785 170 I N -4.276 116.438 120.570 0.241 0.000 3.066 170 I HA 0.001 4.227 4.170 0.094 0.000 0.307 170 I C -2.231 173.950 176.117 0.108 0.000 1.366 170 I CA -0.343 61.032 61.300 0.125 0.000 0.972 170 I CB 3.187 41.220 38.000 0.056 0.000 1.307 170 I HN -0.407 7.995 8.210 0.369 0.029 0.470 171 G N 3.439 112.232 108.800 -0.012 0.000 2.764 171 G HA2 -0.028 4.026 3.960 -0.179 0.000 0.678 171 G HA3 -0.028 3.854 3.960 -0.130 0.000 0.678 171 G C -2.032 172.759 174.900 -0.182 0.000 1.341 171 G CA -0.636 44.386 45.100 -0.130 0.000 0.836 171 G HN -0.079 8.201 8.290 -0.015 0.000 0.632 172 L N 0.961 122.006 121.223 -0.297 0.000 2.417 172 L HA 0.116 4.327 4.340 -0.214 0.000 0.268 172 L C -0.017 176.575 176.870 -0.463 0.000 1.158 172 L CA -0.315 54.303 54.840 -0.371 0.000 0.819 172 L CB 0.832 42.533 42.059 -0.595 0.000 1.112 172 L HN 0.426 8.459 8.230 -0.328 0.000 0.458 173 G N -0.072 108.563 108.800 -0.275 0.000 2.320 173 G HA2 0.313 4.271 3.960 -0.283 0.000 0.300 173 G HA3 0.313 4.219 3.960 -0.091 0.000 0.300 173 G C -0.839 174.026 174.900 -0.059 0.000 1.126 173 G CA -0.813 44.172 45.100 -0.192 0.000 0.896 173 G HN 0.115 8.308 8.290 -0.162 0.000 0.436 174 G N 3.397 112.142 108.800 -0.092 0.000 2.388 174 G HA2 0.256 4.418 3.960 0.336 0.000 0.330 174 G HA3 0.256 4.284 3.960 0.114 0.000 0.330 174 G C -1.874 173.039 174.900 0.022 0.000 1.142 174 G CA -1.291 43.879 45.100 0.116 0.000 0.908 174 G HN 0.424 8.579 8.290 -0.225 0.000 0.473 175 K N 5.816 126.247 120.400 0.050 0.000 2.262 175 K HA 0.005 4.489 4.320 0.019 -0.153 0.282 175 K C 0.220 176.813 176.600 -0.012 0.000 1.066 175 K CA -0.882 55.417 56.287 0.020 0.000 0.901 175 K CB 0.627 33.145 32.500 0.029 0.000 1.089 175 K HN 0.320 8.621 8.250 0.085 0.000 0.476 176 G N 7.257 116.040 108.800 -0.027 0.000 2.814 176 G HA2 -0.459 3.478 3.960 -0.040 0.000 0.677 176 G HA3 -0.459 3.593 3.960 -0.049 -0.121 0.677 176 G C 0.323 175.117 174.900 -0.177 0.000 1.429 176 G CA -0.502 44.559 45.100 -0.065 0.000 0.868 176 G HN 0.201 8.911 8.290 -0.010 -0.426 0.553 177 N N 1.337 119.841 118.700 -0.328 0.000 2.094 177 N HA -0.392 4.055 4.740 -0.488 0.000 0.191 177 N C 1.110 176.296 175.510 -0.541 0.000 1.023 177 N CA 4.014 56.670 53.050 -0.656 0.000 0.857 177 N CB 0.149 37.787 38.487 -1.414 0.000 1.013 177 N HN -0.078 8.140 8.380 -0.271 0.000 0.426 178 D N -2.002 118.202 120.400 -0.327 0.000 2.144 178 D HA -0.222 4.474 4.640 0.094 0.000 0.199 178 D C 1.798 178.084 176.300 -0.023 0.000 0.984 178 D CA 2.520 56.512 54.000 -0.014 0.000 0.834 178 D CB -1.135 39.731 40.800 0.111 0.000 0.955 178 D HN 0.089 8.270 8.370 -0.304 0.007 0.465 179 G N -0.400 108.375 108.800 -0.041 0.000 2.418 179 G HA2 -0.280 3.681 3.960 0.002 0.000 0.217 179 G HA3 -0.280 3.832 3.960 0.021 -0.139 0.217 179 G C 1.380 176.322 174.900 0.070 0.000 1.158 179 G CA 1.757 46.862 45.100 0.009 0.000 0.771 179 G HN -0.518 7.648 8.290 -0.064 0.086 0.545 180 I N 2.515 123.066 120.570 -0.031 0.000 2.179 180 I HA -0.551 3.639 4.170 0.034 0.000 0.242 180 I C 1.557 177.680 176.117 0.010 0.000 1.088 180 I CA 3.864 65.132 61.300 -0.053 0.000 1.357 180 I CB -0.229 37.606 38.000 -0.274 0.000 1.051 180 I HN -0.573 7.572 8.210 -0.107 0.000 0.409 181 A N -1.096 121.713 122.820 -0.018 0.000 1.908 181 A HA -0.393 3.943 4.320 0.027 0.000 0.218 181 A C 1.756 179.369 177.584 0.048 0.000 1.181 181 A CA 3.272 55.327 52.037 0.030 0.000 0.627 181 A CB -1.060 17.984 19.000 0.072 0.000 0.818 181 A HN -0.181 7.930 8.150 -0.065 0.000 0.445 182 A N -1.629 121.212 122.820 0.037 0.000 1.930 182 A HA -0.227 4.091 4.320 -0.004 0.000 0.217 182 A C 2.037 179.627 177.584 0.011 0.000 1.175 182 A CA 2.757 54.792 52.037 -0.003 0.000 0.627 182 A CB -0.669 18.295 19.000 -0.060 0.000 0.815 182 A HN -0.299 7.861 8.150 0.031 0.008 0.443 183 F N -1.184 118.739 119.950 -0.044 0.000 2.134 183 F HA -0.365 4.142 4.527 -0.033 0.000 0.299 183 F C 1.838 177.622 175.800 -0.027 0.000 1.097 183 F CA 3.940 61.916 58.000 -0.042 0.000 1.264 183 F CB 0.209 39.169 39.000 -0.066 0.000 1.001 183 F HN -0.540 7.894 8.300 0.224 0.000 0.479 184 V N -2.021 118.008 119.914 0.191 0.000 2.343 184 V HA -0.477 3.716 4.120 0.121 0.000 0.247 184 V C 2.664 178.806 176.094 0.080 0.000 1.051 184 V CA 3.932 66.299 62.300 0.112 0.000 1.036 184 V CB -0.762 31.105 31.823 0.073 0.000 0.654 184 V HN -0.066 8.230 8.190 0.177 0.000 0.451 185 Q N 0.605 120.439 119.800 0.056 0.000 2.124 185 Q HA -0.212 4.140 4.340 0.020 0.000 0.202 185 Q C 1.551 177.565 176.000 0.023 0.000 0.977 185 Q CA 2.522 58.341 55.803 0.026 0.000 0.850 185 Q CB -0.139 28.605 28.738 0.009 0.000 0.901 185 Q HN -0.418 7.887 8.270 0.059 0.000 0.429 186 R N -4.118 116.400 120.500 0.030 0.000 2.280 186 R HA 0.070 4.411 4.340 0.002 0.000 0.195 186 R C 0.028 176.356 176.300 0.048 0.000 0.935 186 R CA 0.755 56.863 56.100 0.013 0.000 1.033 186 R CB 0.775 31.052 30.300 -0.038 0.000 0.964 186 R HN -0.603 7.565 8.270 0.045 0.130 0.489 187 L N 1.334 122.611 121.223 0.089 0.000 2.353 187 L HA 0.554 4.947 4.340 0.089 0.000 0.270 187 L C -2.492 174.431 176.870 0.088 0.000 1.003 187 L CA -3.332 51.572 54.840 0.105 0.000 0.862 187 L CB 1.043 43.201 42.059 0.165 0.000 1.221 187 L HN -0.686 7.549 8.230 0.096 0.053 0.430 188 P HA -0.350 4.258 4.420 0.045 -0.161 0.262 188 P C 0.574 177.943 177.300 0.115 0.000 1.182 188 P CA 0.787 63.926 63.100 0.065 0.000 0.761 188 P CB -0.041 31.689 31.700 0.050 0.000 0.795 189 G N 2.958 111.847 108.800 0.147 0.000 2.176 189 G HA2 -0.477 3.762 3.960 0.409 0.000 0.253 189 G HA3 -0.477 3.858 3.960 0.349 -0.166 0.253 189 G C -0.291 174.871 174.900 0.437 0.000 0.979 189 G CA -0.060 45.251 45.100 0.352 0.000 0.641 189 G HN 0.588 8.927 8.290 0.081 0.000 0.530 190 A N 0.569 123.534 122.820 0.242 0.000 2.425 190 A HA 0.425 5.088 4.320 0.172 -0.240 0.242 190 A C -1.679 176.088 177.584 0.305 0.000 1.077 190 A CA -0.263 51.898 52.037 0.206 0.000 0.781 190 A CB 1.580 20.654 19.000 0.123 0.000 1.020 190 A HN -0.271 7.925 8.150 0.170 0.057 0.494 191 I N 0.367 121.087 120.570 0.249 0.000 2.533 191 I HA 0.896 5.448 4.170 0.283 -0.212 0.290 191 I C -1.986 174.218 176.117 0.145 0.000 1.056 191 I CA -2.210 59.258 61.300 0.279 0.000 1.057 191 I CB 4.202 42.457 38.000 0.424 0.000 1.240 191 I HN -0.032 8.266 8.210 0.147 0.000 0.423 192 G N 5.977 114.855 108.800 0.130 0.000 2.719 192 G HA2 0.586 4.730 3.960 0.016 0.000 0.298 192 G HA3 0.586 4.480 3.960 -0.111 0.000 0.298 192 G C -2.914 171.960 174.900 -0.043 0.000 1.411 192 G CA -0.543 44.550 45.100 -0.013 0.000 0.991 192 G HN 0.345 8.729 8.290 0.156 0.000 0.509 193 Y N 1.499 121.670 120.300 -0.217 0.000 2.316 193 Y HA 0.876 5.532 4.550 -0.196 -0.224 0.331 193 Y C -1.110 174.667 175.900 -0.205 0.000 1.083 193 Y CA -2.128 55.766 58.100 -0.344 0.000 1.206 193 Y CB 1.113 38.956 38.460 -1.027 0.000 1.195 193 Y HN -0.266 7.690 8.280 -0.541 0.000 0.497 194 V N -4.555 115.344 119.914 -0.026 0.000 3.049 194 V HA 0.683 4.899 4.120 -0.121 -0.169 0.309 194 V C -1.113 174.982 176.094 0.001 0.000 1.148 194 V CA -3.398 58.863 62.300 -0.064 0.000 0.990 194 V CB 3.865 35.640 31.823 -0.079 0.000 1.039 194 V HN 0.355 8.575 8.190 0.050 0.000 0.430 195 E N 2.314 122.490 120.200 -0.041 0.000 2.413 195 E HA -0.047 4.329 4.350 -0.263 -0.184 0.263 195 E C 1.089 177.619 176.600 -0.116 0.000 1.015 195 E CA -0.156 56.124 56.400 -0.200 0.000 0.916 195 E CB 0.904 30.314 29.700 -0.484 0.000 0.947 195 E HN -0.154 8.473 8.360 -0.067 -0.307 0.440 196 Y N 8.777 128.827 120.300 -0.416 0.000 2.151 196 Y HA -0.527 3.828 4.550 -0.324 0.000 0.284 196 Y C 0.852 176.569 175.900 -0.304 0.000 1.166 196 Y CA 3.903 61.782 58.100 -0.369 0.000 1.163 196 Y CB 0.176 38.404 38.460 -0.387 0.000 0.974 196 Y HN 0.533 8.607 8.280 -0.343 0.000 0.511 197 A N -1.771 120.779 122.820 -0.451 0.000 1.978 197 A HA -0.384 3.592 4.320 -0.573 0.000 0.220 197 A C 1.927 179.246 177.584 -0.441 0.000 1.170 197 A CA 2.766 54.496 52.037 -0.513 0.000 0.636 197 A CB -0.903 17.801 19.000 -0.492 0.000 0.810 197 A HN -0.095 8.095 8.150 -0.448 -0.309 0.448 198 Y N -3.185 116.959 120.300 -0.260 0.000 2.439 198 Y HA -0.312 4.153 4.550 -0.142 0.000 0.292 198 Y C 0.948 176.746 175.900 -0.169 0.000 1.130 198 Y CA 3.004 61.000 58.100 -0.172 0.000 1.254 198 Y CB -0.438 37.949 38.460 -0.121 0.000 1.000 198 Y HN -0.264 7.983 8.280 -0.024 0.019 0.554 199 A N -1.595 121.165 122.820 -0.101 0.000 1.850 199 A HA -0.274 4.042 4.320 -0.008 0.000 0.212 199 A C 0.908 178.390 177.584 -0.169 0.000 1.208 199 A CA 2.356 54.338 52.037 -0.091 0.000 0.609 199 A CB 0.138 19.105 19.000 -0.055 0.000 0.860 199 A HN -0.394 7.535 8.150 -0.159 0.125 0.448 200 K N -0.822 119.323 120.400 -0.424 0.000 2.002 200 K HA -0.350 3.845 4.320 -0.209 0.000 0.209 200 K C 2.989 179.457 176.600 -0.220 0.000 1.048 200 K CA 3.087 59.150 56.287 -0.373 0.000 0.930 200 K CB -0.036 32.050 32.500 -0.689 0.000 0.714 200 K HN -0.263 7.595 8.250 -0.652 0.000 0.438 201 Q N -2.918 116.737 119.800 -0.242 0.000 2.364 201 Q HA -0.108 4.144 4.340 -0.146 0.000 0.207 201 Q C 1.208 177.142 176.000 -0.111 0.000 0.970 201 Q CA 1.841 57.542 55.803 -0.171 0.000 0.888 201 Q CB -0.249 28.365 28.738 -0.207 0.000 0.951 201 Q HN -0.222 7.862 8.270 -0.310 0.000 0.469 202 N N -3.010 115.636 118.700 -0.089 0.000 2.230 202 N HA 0.067 4.782 4.740 -0.041 0.000 0.202 202 N C -1.254 174.235 175.510 -0.035 0.000 1.119 202 N CA -0.140 52.883 53.050 -0.044 0.000 0.851 202 N CB 0.409 38.888 38.487 -0.012 0.000 0.990 202 N HN -0.792 7.482 8.380 -0.108 0.042 0.497 203 N N -3.248 115.425 118.700 -0.044 0.000 2.735 203 N HA -0.473 4.248 4.740 -0.031 0.000 0.248 203 N C -1.488 174.011 175.510 -0.018 0.000 1.083 203 N CA 1.262 54.293 53.050 -0.031 0.000 0.703 203 N CB -2.177 36.290 38.487 -0.033 0.000 1.005 203 N HN -0.322 7.837 8.380 -0.064 0.183 0.550 204 L N -0.889 120.335 121.223 0.002 0.000 2.334 204 L HA 0.037 4.376 4.340 -0.000 0.000 0.277 204 L C -0.847 176.044 176.870 0.036 0.000 1.075 204 L CA -0.489 54.363 54.840 0.020 0.000 0.804 204 L CB 0.716 42.803 42.059 0.046 0.000 1.174 204 L HN -0.346 7.860 8.230 -0.002 0.023 0.438 205 A N 1.147 123.947 122.820 -0.033 0.000 2.406 205 A HA -0.068 4.099 4.320 -0.256 0.000 0.243 205 A C -1.335 176.247 177.584 -0.002 0.000 1.082 205 A CA 0.181 52.138 52.037 -0.133 0.000 0.786 205 A CB 1.009 19.916 19.000 -0.155 0.000 1.029 205 A HN 0.425 8.551 8.150 -0.039 0.000 0.495 206 Y N -5.153 115.160 120.300 0.022 0.000 2.625 206 Y HA 0.969 5.746 4.550 0.077 -0.180 0.338 206 Y C -0.878 175.077 175.900 0.092 0.000 1.123 206 Y CA -2.813 55.332 58.100 0.076 0.000 1.046 206 Y CB 2.604 41.133 38.460 0.114 0.000 1.299 206 Y HN -0.408 7.519 8.280 -0.588 0.000 0.464 207 T N -1.329 113.455 114.554 0.384 0.000 2.927 207 T HA 0.322 4.859 4.350 0.179 -0.079 0.281 207 T C 0.258 175.227 174.700 0.448 0.000 0.998 207 T CA -1.658 60.626 62.100 0.306 0.000 1.019 207 T CB 1.834 70.870 68.868 0.279 0.000 1.061 207 T HN -0.146 8.362 8.240 0.447 0.000 0.518 208 K N 0.438 121.036 120.400 0.331 0.000 2.138 208 K HA 0.256 4.967 4.320 0.525 -0.075 0.251 208 K C -0.693 176.091 176.600 0.306 0.000 1.015 208 K CA 0.439 56.950 56.287 0.374 0.000 0.917 208 K CB 1.589 34.230 32.500 0.235 0.000 1.021 208 K HN 0.065 8.456 8.250 0.233 0.000 0.485 209 L N -2.385 118.964 121.223 0.210 0.000 2.350 209 L HA 0.895 5.469 4.340 0.031 -0.215 0.260 209 L C -1.031 175.803 176.870 -0.059 0.000 1.015 209 L CA -2.092 52.720 54.840 -0.046 0.000 0.821 209 L CB 4.811 46.609 42.059 -0.435 0.000 1.370 209 L HN -0.210 8.210 8.230 0.316 0.000 0.416 210 I N 0.719 121.259 120.570 -0.050 0.000 2.416 210 I HA 0.145 4.479 4.170 -0.010 -0.171 0.288 210 I C 0.033 176.105 176.117 -0.075 0.000 1.051 210 I CA -2.299 58.983 61.300 -0.031 0.000 1.375 210 I CB -1.500 36.501 38.000 0.002 0.000 1.407 210 I HN -0.331 7.860 8.210 -0.031 0.000 0.516 211 S N 5.742 121.407 115.700 -0.059 0.000 2.608 211 S HA 0.082 4.476 4.470 -0.127 0.000 0.261 211 S C 1.675 176.257 174.600 -0.031 0.000 1.314 211 S CA -0.178 57.982 58.200 -0.066 0.000 0.992 211 S CB 1.495 64.679 63.200 -0.026 0.000 0.935 211 S HN 0.179 8.364 8.310 -0.030 0.107 0.564 212 A N 0.787 123.594 122.820 -0.022 0.000 2.024 212 A HA -0.221 4.169 4.320 -0.003 -0.072 0.220 212 A C 1.508 179.086 177.584 -0.010 0.000 1.164 212 A CA 2.679 54.711 52.037 -0.008 0.000 0.643 212 A CB -0.392 18.605 19.000 -0.005 0.000 0.806 212 A HN 0.922 9.053 8.150 -0.032 0.000 0.451 213 D N -4.079 116.317 120.400 -0.007 0.000 2.349 213 D HA -0.041 4.596 4.640 -0.005 0.000 0.224 213 D C 0.519 176.818 176.300 -0.002 0.000 1.029 213 D CA 0.023 54.021 54.000 -0.003 0.000 0.879 213 D CB -0.014 40.787 40.800 0.002 0.000 0.906 213 D HN -0.640 7.698 8.370 -0.007 0.028 0.528 214 G N -2.746 106.052 108.800 -0.003 0.000 2.131 214 G HA2 -0.393 3.566 3.960 -0.002 0.000 0.223 214 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.223 214 G C -0.843 174.060 174.900 0.006 0.000 0.990 214 G CA 0.123 45.223 45.100 -0.000 0.000 0.671 214 G HN -0.333 7.761 8.290 -0.006 0.192 0.521 215 K N 0.292 120.697 120.400 0.008 0.000 2.259 215 K HA 0.517 4.848 4.320 0.019 0.000 0.252 215 K C -2.432 174.183 176.600 0.025 0.000 0.936 215 K CA -3.493 52.805 56.287 0.018 0.000 0.810 215 K CB 1.619 34.130 32.500 0.020 0.000 1.143 215 K HN -0.529 7.724 8.250 0.004 0.000 0.427 216 P HA 0.043 4.640 4.420 0.056 -0.144 0.271 216 P C -1.299 176.049 177.300 0.081 0.000 1.216 216 P CA -0.283 62.853 63.100 0.059 0.000 0.771 216 P CB 0.357 32.094 31.700 0.062 0.000 0.864 217 V N 2.794 122.785 119.914 0.128 0.000 2.841 217 V HA 0.381 4.586 4.120 0.141 0.000 0.310 217 V C -1.933 174.365 176.094 0.339 0.000 1.090 217 V CA -2.752 59.665 62.300 0.195 0.000 0.930 217 V CB 4.099 36.043 31.823 0.201 0.000 1.014 217 V HN 0.625 8.893 8.190 0.129 0.000 0.425 218 S N 7.662 123.498 115.700 0.226 0.000 2.585 218 S HA 0.351 4.969 4.470 0.248 0.000 0.277 218 S C -2.242 172.288 174.600 -0.116 0.000 1.241 218 S CA -2.262 56.025 58.200 0.145 0.000 1.041 218 S CB 0.276 63.502 63.200 0.043 0.000 0.987 218 S HN 0.216 8.612 8.310 0.145 0.000 0.512 219 P HA 0.145 3.677 4.420 -1.480 0.000 0.287 219 P C -1.516 175.016 177.300 -1.281 0.000 1.307 219 P CA -0.525 61.739 63.100 -1.392 0.000 0.777 219 P CB 0.538 31.172 31.700 -1.777 0.000 0.883 220 T N -1.544 112.151 114.554 -1.432 0.000 2.864 220 T HA 0.251 3.920 4.350 -1.135 0.000 0.299 220 T C 0.102 173.846 174.700 -1.593 0.000 1.166 220 T CA -2.785 58.600 62.100 -1.191 0.000 1.007 220 T CB 3.465 71.984 68.868 -0.581 0.000 1.219 220 T HN -0.527 6.832 8.240 -1.469 0.000 0.506 221 E N 3.092 122.746 120.200 -0.910 0.000 2.070 221 E HA -0.477 3.558 4.350 -0.524 0.000 0.197 221 E C 1.377 177.741 176.600 -0.394 0.000 1.004 221 E CA 4.289 60.361 56.400 -0.545 0.000 0.805 221 E CB 0.056 29.640 29.700 -0.192 0.000 0.744 221 E HN 0.735 8.709 8.360 -0.643 0.000 0.451 222 E N -2.196 117.811 120.200 -0.321 0.000 2.153 222 E HA -0.305 3.986 4.350 -0.098 0.000 0.194 222 E C 2.491 178.996 176.600 -0.159 0.000 0.988 222 E CA 3.427 59.723 56.400 -0.174 0.000 0.811 222 E CB -0.776 28.846 29.700 -0.130 0.000 0.746 222 E HN 0.314 8.470 8.360 -0.339 0.000 0.466 223 N N -0.208 118.311 118.700 -0.303 0.000 2.376 223 N HA 0.002 4.819 4.740 -0.038 -0.099 0.177 223 N C 2.028 177.562 175.510 0.040 0.000 1.024 223 N CA 1.889 54.853 53.050 -0.142 0.000 0.893 223 N CB -0.171 38.232 38.487 -0.141 0.000 0.980 223 N HN -0.599 7.360 8.380 -0.488 0.128 0.439 224 F N 1.066 121.010 119.950 -0.010 0.000 2.113 224 F HA -0.030 4.581 4.527 0.139 0.000 0.297 224 F C 1.961 177.818 175.800 0.096 0.000 1.103 224 F CA 0.781 58.814 58.000 0.055 0.000 1.248 224 F CB -1.391 37.592 39.000 -0.029 0.000 0.999 224 F HN -0.135 7.757 8.300 -0.681 0.000 0.475 225 A N -1.536 121.408 122.820 0.207 0.000 1.908 225 A HA -0.406 4.045 4.320 0.218 0.000 0.218 225 A C 2.463 180.140 177.584 0.154 0.000 1.181 225 A CA 3.070 55.211 52.037 0.173 0.000 0.627 225 A CB -0.543 18.520 19.000 0.105 0.000 0.818 225 A HN -0.022 8.203 8.150 0.125 0.000 0.445 226 N N -1.099 117.668 118.700 0.112 0.000 2.166 226 N HA -0.273 4.518 4.740 0.086 0.000 0.186 226 N C 2.343 177.923 175.510 0.117 0.000 1.019 226 N CA 2.589 55.697 53.050 0.096 0.000 0.856 226 N CB -0.500 38.029 38.487 0.069 0.000 0.993 226 N HN -0.066 8.365 8.380 0.086 0.000 0.426 227 A N -1.282 121.633 122.820 0.158 0.000 2.070 227 A HA -0.198 4.186 4.320 0.107 0.000 0.220 227 A C 0.071 177.726 177.584 0.117 0.000 1.159 227 A CA 2.288 54.411 52.037 0.144 0.000 0.656 227 A CB -0.441 18.680 19.000 0.201 0.000 0.800 227 A HN -0.544 7.709 8.150 0.193 0.012 0.453 228 A N -5.369 117.544 122.820 0.155 0.000 2.308 228 A HA -0.039 4.320 4.320 0.065 0.000 0.217 228 A C 1.175 178.838 177.584 0.132 0.000 1.216 228 A CA 0.123 52.250 52.037 0.149 0.000 0.864 228 A CB -0.291 18.900 19.000 0.319 0.000 0.902 228 A HN -0.497 7.607 8.150 0.184 0.157 0.499 229 K N 0.355 120.823 120.400 0.113 0.000 2.211 229 K HA -0.272 4.135 4.320 0.145 0.000 0.203 229 K C 1.162 177.794 176.600 0.054 0.000 1.050 229 K CA 2.418 58.767 56.287 0.103 0.000 0.945 229 K CB -0.123 32.425 32.500 0.081 0.000 0.732 229 K HN -0.497 7.652 8.250 0.107 0.165 0.451 230 G N -3.980 104.827 108.800 0.011 0.000 2.985 230 G HA2 0.100 4.056 3.960 -0.007 0.000 0.209 230 G HA3 0.100 4.045 3.960 -0.025 0.000 0.209 230 G C -0.871 173.973 174.900 -0.093 0.000 1.165 230 G CA -0.661 44.424 45.100 -0.025 0.000 0.776 230 G HN -0.148 8.126 8.290 0.015 0.025 0.541 231 A N 1.087 123.797 122.820 -0.184 0.000 2.454 231 A HA -0.097 4.004 4.320 -0.364 0.000 0.260 231 A C -0.940 176.416 177.584 -0.381 0.000 1.106 231 A CA -0.230 51.542 52.037 -0.442 0.000 0.780 231 A CB 0.511 18.935 19.000 -0.961 0.000 1.044 231 A HN -0.654 7.241 8.150 -0.127 0.178 0.498 232 D N 5.395 125.635 120.400 -0.267 0.000 2.631 232 D HA 0.131 4.753 4.640 -0.030 0.000 0.227 232 D C 0.152 176.428 176.300 -0.039 0.000 1.146 232 D CA -1.583 52.357 54.000 -0.100 0.000 1.009 232 D CB -1.389 39.378 40.800 -0.056 0.000 1.057 232 D HN 0.551 8.764 8.370 -0.262 0.000 0.509 233 W N 2.550 123.882 121.300 0.053 0.000 2.331 233 W HA -0.176 4.693 4.660 0.107 -0.145 0.291 233 W C 1.671 178.200 176.519 0.017 0.000 1.214 233 W CA 1.751 59.143 57.345 0.079 0.000 1.228 233 W CB -0.272 29.258 29.460 0.117 0.000 1.135 233 W HN -0.375 7.810 8.180 0.082 0.045 0.537 234 S N -2.287 113.540 115.700 0.212 0.000 2.400 234 S HA -0.247 4.269 4.470 0.076 0.000 0.232 234 S C 1.340 175.944 174.600 0.007 0.000 1.025 234 S CA 2.651 60.902 58.200 0.085 0.000 0.993 234 S CB -0.240 62.996 63.200 0.061 0.000 0.808 234 S HN -0.051 8.364 8.310 0.220 0.028 0.478 235 K N -1.746 118.659 120.400 0.008 0.000 2.076 235 K HA -0.072 4.227 4.320 -0.035 0.000 0.204 235 K C -0.416 176.146 176.600 -0.063 0.000 1.051 235 K CA 1.360 57.630 56.287 -0.030 0.000 0.949 235 K CB 0.766 33.250 32.500 -0.027 0.000 0.726 235 K HN -0.503 7.735 8.250 0.032 0.031 0.443 236 T N -3.551 110.977 114.554 -0.045 0.000 2.893 236 T HA 0.110 4.342 4.350 -0.196 0.000 0.337 236 T C -0.690 174.084 174.700 0.124 0.000 1.587 236 T CA -1.188 60.872 62.100 -0.067 0.000 1.066 236 T CB 1.119 69.971 68.868 -0.028 0.000 1.414 236 T HN -0.983 7.263 8.240 0.009 0.000 0.488 237 F N 4.207 124.301 119.950 0.239 0.000 2.407 237 F HA 0.006 4.916 4.527 0.638 0.000 0.299 237 F C 0.826 176.902 175.800 0.460 0.000 1.097 237 F CA 0.432 58.694 58.000 0.438 0.000 1.422 237 F CB -0.296 38.935 39.000 0.385 0.000 1.067 237 F HN 0.500 8.746 8.300 -0.089 0.000 0.539 238 A N -1.270 121.763 122.820 0.355 0.000 3.063 238 A HA 0.018 4.536 4.320 0.330 0.000 0.263 238 A C -1.091 176.586 177.584 0.156 0.000 1.736 238 A CA -0.802 51.359 52.037 0.207 0.000 1.408 238 A CB -1.302 17.688 19.000 -0.017 0.000 1.108 238 A HN -0.600 7.639 8.150 0.234 0.051 0.621 239 Q N 0.117 120.018 119.800 0.168 0.000 2.261 239 Q HA -0.044 4.239 4.340 -0.094 0.000 0.252 239 Q C -0.600 175.409 176.000 0.014 0.000 0.915 239 Q CA -0.702 55.060 55.803 -0.068 0.000 0.915 239 Q CB 1.105 29.543 28.738 -0.500 0.000 1.204 239 Q HN -0.557 7.854 8.270 0.331 0.058 0.421 240 D N 2.025 122.415 120.400 -0.016 0.000 2.316 240 D HA -0.008 4.676 4.640 0.074 0.000 0.245 240 D C -0.349 175.950 176.300 -0.003 0.000 1.171 240 D CA -0.197 53.818 54.000 0.025 0.000 0.856 240 D CB 0.305 41.112 40.800 0.011 0.000 1.090 240 D HN 0.213 8.552 8.370 -0.051 0.000 0.476 241 L N 2.931 124.178 121.223 0.039 0.000 2.910 241 L HA 0.234 4.585 4.340 0.019 0.000 0.252 241 L C -0.361 176.541 176.870 0.054 0.000 1.195 241 L CA -1.245 53.624 54.840 0.048 0.000 1.003 241 L CB -0.382 41.733 42.059 0.093 0.000 1.328 241 L HN 0.202 8.473 8.230 0.070 0.000 0.540 242 T N -1.856 112.726 114.554 0.045 0.000 2.875 242 T HA 0.230 4.729 4.350 0.009 -0.143 0.284 242 T C 0.583 175.317 174.700 0.057 0.000 0.995 242 T CA -1.548 60.581 62.100 0.048 0.000 1.060 242 T CB 1.926 70.849 68.868 0.092 0.000 0.967 242 T HN -0.338 8.168 8.240 0.044 -0.240 0.476 243 N N 3.174 121.915 118.700 0.069 0.000 2.705 243 N HA -0.435 4.339 4.740 0.057 0.000 0.255 243 N C -1.505 174.016 175.510 0.018 0.000 1.008 243 N CA 1.555 54.649 53.050 0.075 0.000 0.742 243 N CB -0.650 37.904 38.487 0.111 0.000 0.906 243 N HN 0.560 8.833 8.380 0.012 0.115 0.541 244 Q N -2.513 117.291 119.800 0.007 0.000 2.230 244 Q HA 0.061 4.400 4.340 -0.002 0.000 0.248 244 Q C -0.078 175.924 176.000 0.004 0.000 0.915 244 Q CA -0.914 54.892 55.803 0.004 0.000 0.900 244 Q CB 1.453 30.197 28.738 0.010 0.000 1.229 244 Q HN -0.047 8.224 8.270 0.002 0.000 0.439 245 K N 0.100 120.501 120.400 0.001 0.000 2.219 245 K HA -0.176 4.258 4.320 0.001 -0.113 0.258 245 K C 0.828 177.434 176.600 0.011 0.000 1.008 245 K CA -0.437 55.852 56.287 0.002 0.000 0.928 245 K CB 0.336 32.834 32.500 -0.003 0.000 0.983 245 K HN 0.177 8.425 8.250 -0.004 0.000 0.484 246 G N -0.476 108.332 108.800 0.013 0.000 2.406 246 G HA2 -0.217 3.753 3.960 0.015 0.000 0.680 246 G HA3 -0.217 3.757 3.960 0.023 0.000 0.680 246 G C -1.969 172.945 174.900 0.023 0.000 1.338 246 G CA -0.836 44.275 45.100 0.019 0.000 0.941 246 G HN -0.328 8.415 8.290 0.009 -0.448 0.633 247 E N 1.263 121.477 120.200 0.023 0.000 2.384 247 E HA -0.110 4.253 4.350 0.022 0.000 0.266 247 E C -0.439 176.181 176.600 0.033 0.000 1.012 247 E CA 1.396 57.810 56.400 0.024 0.000 0.901 247 E CB 0.301 30.012 29.700 0.019 0.000 0.967 247 E HN 0.167 8.540 8.360 0.021 0.000 0.435 248 D N -3.036 117.387 120.400 0.038 0.000 2.837 248 D HA -0.354 4.323 4.640 0.062 0.000 0.230 248 D C -1.561 174.786 176.300 0.079 0.000 1.152 248 D CA 1.127 55.158 54.000 0.051 0.000 0.736 248 D CB -0.859 39.958 40.800 0.027 0.000 1.084 248 D HN 0.222 8.613 8.370 0.035 0.000 0.429 249 A N -2.982 119.886 122.820 0.080 0.000 2.316 249 A HA 0.158 4.558 4.320 0.132 0.000 0.311 249 A C -1.175 176.492 177.584 0.139 0.000 1.339 249 A CA -1.131 50.969 52.037 0.106 0.000 0.960 249 A CB 0.566 19.605 19.000 0.064 0.000 1.152 249 A HN -0.637 7.525 8.150 0.058 0.023 0.547 250 W N 6.974 128.301 121.300 0.044 0.000 2.322 250 W HA 0.104 4.780 4.660 0.028 0.000 0.328 250 W C -1.063 175.469 176.519 0.022 0.000 1.395 250 W CA -1.221 56.160 57.345 0.061 0.000 1.267 250 W CB 1.474 31.066 29.460 0.219 0.000 1.259 250 W HN -0.187 8.221 8.180 0.381 0.000 0.560 251 P HA -0.008 4.231 4.420 -0.303 0.000 0.231 251 P C -1.581 175.297 177.300 -0.702 0.000 1.168 251 P CA 1.268 64.002 63.100 -0.610 0.000 0.779 251 P CB 0.594 31.933 31.700 -0.602 0.000 0.844 252 I N -2.289 117.776 120.570 -0.841 0.000 2.692 252 I HA 0.268 4.230 4.170 -0.345 0.000 0.285 252 I C -2.207 173.990 176.117 0.134 0.000 1.191 252 I CA -1.245 59.841 61.300 -0.357 0.000 1.128 252 I CB -1.309 36.489 38.000 -0.337 0.000 1.585 252 I HN -0.296 7.031 8.210 -1.416 0.034 0.558 253 T N 6.914 121.556 114.554 0.147 0.000 2.925 253 T HA 0.618 5.212 4.350 0.210 -0.118 0.285 253 T C -1.333 173.476 174.700 0.182 0.000 1.021 253 T CA -1.040 61.193 62.100 0.223 0.000 1.042 253 T CB 1.918 70.954 68.868 0.281 0.000 1.037 253 T HN -0.376 7.896 8.240 0.052 0.000 0.481 254 S N 1.411 117.243 115.700 0.221 0.000 2.547 254 S HA 0.307 4.859 4.470 0.137 0.000 0.270 254 S C -2.005 172.682 174.600 0.144 0.000 1.150 254 S CA -0.997 57.291 58.200 0.146 0.000 0.850 254 S CB 2.168 65.377 63.200 0.015 0.000 1.118 254 S HN 0.348 8.812 8.310 0.257 0.000 0.461 255 T N 4.270 118.863 114.554 0.066 0.000 2.833 255 T HA 0.713 5.252 4.350 0.044 -0.163 0.292 255 T C -0.338 174.137 174.700 -0.375 0.000 1.031 255 T CA -0.935 61.124 62.100 -0.067 0.000 0.937 255 T CB 1.139 70.008 68.868 0.002 0.000 1.256 255 T HN 0.560 8.861 8.240 0.102 0.000 0.551 256 T N -0.599 113.590 114.554 -0.608 0.000 2.885 256 T HA 0.195 4.242 4.350 -0.505 0.000 0.322 256 T C -2.282 171.978 174.700 -0.733 0.000 1.387 256 T CA -0.505 61.253 62.100 -0.570 0.000 1.041 256 T CB 1.700 70.390 68.868 -0.296 0.000 1.287 256 T HN -0.245 7.637 8.240 -0.597 0.000 0.491 257 F N 2.216 122.113 119.950 -0.089 0.000 2.577 257 F HA 0.692 5.235 4.527 -0.273 -0.180 0.318 257 F C -1.023 174.612 175.800 -0.276 0.000 1.065 257 F CA -1.942 55.932 58.000 -0.209 0.000 0.929 257 F CB 4.252 43.143 39.000 -0.182 0.000 1.237 257 F HN 0.120 8.430 8.300 0.016 0.000 0.468 258 I N -0.262 120.017 120.570 -0.486 0.000 2.460 258 I HA 0.585 4.782 4.170 -0.237 -0.169 0.298 258 I C -1.228 174.638 176.117 -0.417 0.000 0.989 258 I CA -2.292 58.635 61.300 -0.621 0.000 1.173 258 I CB 1.742 38.805 38.000 -1.560 0.000 1.338 258 I HN 0.707 8.491 8.210 -0.710 0.000 0.456 259 L N 5.677 126.847 121.223 -0.088 0.000 2.333 259 L HA 0.827 5.365 4.340 -0.007 -0.202 0.280 259 L C -0.846 176.102 176.870 0.130 0.000 1.004 259 L CA -1.136 53.712 54.840 0.012 0.000 0.820 259 L CB 2.019 44.078 42.059 -0.000 0.000 1.247 259 L HN 0.444 8.580 8.230 0.011 0.101 0.416 260 I N -5.428 115.255 120.570 0.188 0.000 2.969 260 I HA 0.524 4.812 4.170 0.196 0.000 0.307 260 I C -1.969 174.221 176.117 0.122 0.000 1.149 260 I CA -2.579 58.854 61.300 0.222 0.000 1.008 260 I CB 4.047 42.255 38.000 0.348 0.000 1.232 260 I HN 0.475 8.815 8.210 0.217 0.000 0.435 261 H N 2.488 121.676 119.070 0.197 0.000 2.732 261 H HA 0.110 4.915 4.556 0.163 -0.151 0.351 261 H C 0.689 176.113 175.328 0.161 0.000 1.090 261 H CA 1.529 57.674 56.048 0.161 0.000 1.431 261 H CB 0.644 30.475 29.762 0.115 0.000 1.447 261 H HN 0.492 8.946 8.280 0.289 0.000 0.582 262 K N 0.365 120.917 120.400 0.253 0.000 2.103 262 K HA -0.165 4.316 4.320 0.158 -0.066 0.204 262 K C -0.143 176.541 176.600 0.139 0.000 1.052 262 K CA 3.490 59.884 56.287 0.178 0.000 0.945 262 K CB 0.869 33.467 32.500 0.163 0.000 0.722 262 K HN 0.015 8.416 8.250 0.252 0.000 0.443 263 D N -1.901 118.590 120.400 0.152 0.000 2.467 263 D HA 0.348 5.178 4.640 0.079 -0.142 0.220 263 D C -0.871 175.484 176.300 0.091 0.000 1.103 263 D CA -1.588 52.471 54.000 0.099 0.000 0.886 263 D CB -0.066 40.781 40.800 0.078 0.000 1.025 263 D HN -0.281 8.204 8.370 0.192 0.000 0.514 264 Q N 7.512 127.360 119.800 0.080 0.000 2.323 264 Q HA 0.078 4.473 4.340 0.092 0.000 0.257 264 Q C 0.527 176.547 176.000 0.033 0.000 1.022 264 Q CA -0.741 55.106 55.803 0.072 0.000 0.919 264 Q CB 0.117 28.899 28.738 0.072 0.000 1.220 264 Q HN 0.308 8.622 8.270 0.073 0.000 0.427 265 K N 2.662 123.065 120.400 0.006 0.000 2.288 265 K HA -0.097 4.223 4.320 0.001 0.000 0.201 265 K C 0.231 176.835 176.600 0.006 0.000 1.048 265 K CA 0.771 57.055 56.287 -0.005 0.000 0.956 265 K CB 0.076 32.558 32.500 -0.029 0.000 0.746 265 K HN 0.324 8.567 8.250 -0.010 0.000 0.461 266 K N -0.552 119.859 120.400 0.018 0.000 2.499 266 K HA 0.531 4.861 4.320 0.017 0.000 0.215 266 K C -1.535 175.085 176.600 0.033 0.000 1.041 266 K CA -2.957 53.343 56.287 0.023 0.000 1.031 266 K CB -0.046 32.471 32.500 0.027 0.000 1.479 266 K HN -0.439 7.797 8.250 0.023 0.028 0.518 267 P HA -0.134 4.306 4.420 0.034 0.000 0.219 267 P C 0.655 177.970 177.300 0.025 0.000 1.150 267 P CA 1.953 65.070 63.100 0.028 0.000 0.814 267 P CB 0.147 31.859 31.700 0.021 0.000 0.787 268 E N -1.334 118.879 120.200 0.022 0.000 2.106 268 E HA -0.286 4.075 4.350 0.017 0.000 0.192 268 E C 2.279 178.897 176.600 0.030 0.000 0.984 268 E CA 3.081 59.493 56.400 0.020 0.000 0.806 268 E CB -2.134 27.574 29.700 0.013 0.000 0.750 268 E HN 0.599 8.971 8.360 0.020 0.000 0.458 269 Q N -0.168 119.656 119.800 0.040 0.000 2.030 269 Q HA -0.269 4.106 4.340 0.058 0.000 0.204 269 Q C 2.565 178.610 176.000 0.075 0.000 0.986 269 Q CA 2.669 58.509 55.803 0.061 0.000 0.843 269 Q CB -0.728 28.055 28.738 0.074 0.000 0.904 269 Q HN -0.551 7.741 8.270 0.036 0.000 0.420 270 G N -1.667 107.174 108.800 0.069 0.000 2.440 270 G HA2 -0.342 3.673 3.960 0.092 0.000 0.218 270 G HA3 -0.342 3.759 3.960 0.056 -0.108 0.218 270 G C 1.292 176.195 174.900 0.005 0.000 1.154 270 G CA 2.250 47.385 45.100 0.059 0.000 0.767 270 G HN -0.196 8.132 8.290 0.064 0.000 0.552 271 T N 4.674 119.232 114.554 0.007 0.000 2.720 271 T HA -0.319 4.018 4.350 -0.021 0.000 0.268 271 T C 2.091 176.792 174.700 0.001 0.000 1.037 271 T CA 4.885 66.983 62.100 -0.004 0.000 1.144 271 T CB -0.370 68.505 68.868 0.012 0.000 0.864 271 T HN -0.210 8.041 8.240 0.019 0.000 0.444 272 E N 0.504 120.720 120.200 0.027 0.000 2.152 272 E HA -0.186 4.201 4.350 0.061 0.000 0.192 272 E C 2.363 178.996 176.600 0.055 0.000 0.983 272 E CA 2.426 58.857 56.400 0.051 0.000 0.818 272 E CB -0.541 29.191 29.700 0.054 0.000 0.758 272 E HN -0.561 7.807 8.360 0.032 0.011 0.467 273 V N 0.885 120.834 119.914 0.059 0.000 2.295 273 V HA -0.423 3.761 4.120 0.106 0.000 0.246 273 V C 2.015 178.111 176.094 0.004 0.000 1.049 273 V CA 4.163 66.518 62.300 0.091 0.000 1.024 273 V CB -0.749 31.184 31.823 0.183 0.000 0.648 273 V HN 0.048 8.278 8.190 0.065 0.000 0.447 274 L N -1.795 119.304 121.223 -0.205 0.000 2.046 274 L HA -0.457 3.375 4.340 -0.847 0.000 0.208 274 L C 2.140 178.821 176.870 -0.315 0.000 1.077 274 L CA 3.400 57.867 54.840 -0.621 0.000 0.747 274 L CB -0.931 40.568 42.059 -0.934 0.000 0.896 274 L HN -0.350 7.778 8.230 -0.170 0.000 0.432 275 K N -1.275 119.084 120.400 -0.068 0.000 2.097 275 K HA -0.381 4.012 4.320 0.123 0.000 0.206 275 K C 2.445 179.051 176.600 0.010 0.000 1.049 275 K CA 3.405 59.732 56.287 0.068 0.000 0.933 275 K CB -0.359 32.224 32.500 0.139 0.000 0.717 275 K HN -0.400 7.821 8.250 -0.049 0.000 0.442 276 F N 1.729 121.476 119.950 -0.339 0.000 2.075 276 F HA -0.348 3.353 4.527 -1.377 0.000 0.297 276 F C 1.439 176.820 175.800 -0.698 0.000 1.113 276 F CA 2.829 60.312 58.000 -0.862 0.000 1.218 276 F CB -0.033 38.407 39.000 -0.934 0.000 0.984 276 F HN -0.408 7.896 8.300 0.007 0.000 0.472 277 F N -2.546 117.061 119.950 -0.571 0.000 2.234 277 F HA -0.390 3.452 4.527 -1.142 0.000 0.299 277 F C 1.970 177.451 175.800 -0.532 0.000 1.087 277 F CA 3.830 61.396 58.000 -0.723 0.000 1.340 277 F CB -0.585 38.234 39.000 -0.302 0.000 1.031 277 F HN -0.345 7.744 8.300 -0.351 0.000 0.500 278 D N 0.036 120.458 120.400 0.036 0.000 2.117 278 D HA -0.343 4.572 4.640 0.459 0.000 0.197 278 D C 1.715 178.048 176.300 0.056 0.000 0.987 278 D CA 3.549 57.699 54.000 0.249 0.000 0.829 278 D CB -0.145 40.889 40.800 0.389 0.000 0.961 278 D HN 0.029 8.399 8.370 0.001 0.000 0.460 279 W N 0.903 122.057 121.300 -0.243 0.000 2.338 279 W HA -0.435 4.152 4.660 -0.122 0.000 0.304 279 W C 1.125 177.349 176.519 -0.491 0.000 1.212 279 W CA 4.018 61.200 57.345 -0.270 0.000 1.264 279 W CB 0.078 29.412 29.460 -0.210 0.000 1.142 279 W HN -0.280 7.956 8.180 0.093 0.000 0.512 280 A N -0.724 121.647 122.820 -0.748 0.000 1.902 280 A HA -0.362 2.854 4.320 -1.840 0.000 0.217 280 A C 2.329 179.299 177.584 -1.023 0.000 1.181 280 A CA 2.684 53.823 52.037 -1.498 0.000 0.623 280 A CB -0.738 16.898 19.000 -2.273 0.000 0.818 280 A HN -0.225 7.448 8.150 -0.634 0.096 0.443 281 Y N -3.349 116.621 120.300 -0.549 0.000 2.224 281 Y HA -0.299 4.074 4.550 -0.294 0.000 0.289 281 Y C 2.140 177.856 175.900 -0.305 0.000 1.146 281 Y CA 2.957 60.860 58.100 -0.329 0.000 1.182 281 Y CB -0.493 37.845 38.460 -0.203 0.000 0.983 281 Y HN -0.288 7.599 8.280 -0.655 0.000 0.524 282 K N -3.678 116.622 120.400 -0.166 0.000 2.062 282 K HA -0.136 4.124 4.320 -0.100 0.000 0.205 282 K C 1.606 178.034 176.600 -0.286 0.000 1.051 282 K CA 2.300 58.482 56.287 -0.174 0.000 0.941 282 K CB 0.739 33.163 32.500 -0.128 0.000 0.719 282 K HN -0.372 7.762 8.250 -0.193 0.000 0.440 283 T N -5.919 108.306 114.554 -0.548 0.000 3.004 283 T HA 0.223 4.359 4.350 -0.357 0.000 0.266 283 T C 1.403 175.754 174.700 -0.583 0.000 0.986 283 T CA 0.086 61.837 62.100 -0.581 0.000 0.902 283 T CB 1.544 69.919 68.868 -0.823 0.000 1.118 283 T HN -0.155 7.653 8.240 -0.720 0.000 0.522 284 G N 0.912 109.321 108.800 -0.651 0.000 3.189 284 G HA2 0.182 4.071 3.960 -0.384 0.000 0.225 284 G HA3 0.182 3.730 3.960 -0.802 -0.068 0.225 284 G C -0.565 174.393 174.900 0.097 0.000 1.159 284 G CA -0.204 44.635 45.100 -0.434 0.000 0.763 284 G HN -0.180 7.711 8.290 -0.666 0.000 0.549 285 A N 1.071 123.900 122.820 0.015 0.000 1.930 285 A HA -0.214 4.222 4.320 0.193 0.000 0.217 285 A C 1.206 178.860 177.584 0.117 0.000 1.175 285 A CA 2.509 54.611 52.037 0.109 0.000 0.627 285 A CB -0.463 18.566 19.000 0.047 0.000 0.815 285 A HN 0.046 8.087 8.150 -0.084 0.058 0.443 286 K N -1.272 119.172 120.400 0.074 0.000 2.097 286 K HA -0.402 3.956 4.320 0.064 0.000 0.205 286 K C 2.008 178.673 176.600 0.107 0.000 1.050 286 K CA 3.378 59.708 56.287 0.073 0.000 0.938 286 K CB -0.390 32.138 32.500 0.046 0.000 0.718 286 K HN 0.207 8.480 8.250 0.038 0.000 0.442 287 Q N -1.383 118.514 119.800 0.162 0.000 2.096 287 Q HA -0.324 4.092 4.340 0.127 0.000 0.204 287 Q C 2.600 178.666 176.000 0.111 0.000 0.982 287 Q CA 3.241 59.148 55.803 0.173 0.000 0.850 287 Q CB -0.334 28.589 28.738 0.309 0.000 0.901 287 Q HN 0.079 8.452 8.270 0.171 0.000 0.422 288 A N -1.022 121.900 122.820 0.170 0.000 1.898 288 A HA -0.297 4.003 4.320 -0.033 0.000 0.216 288 A C 1.869 179.552 177.584 0.166 0.000 1.181 288 A CA 2.902 55.000 52.037 0.102 0.000 0.620 288 A CB -0.629 18.482 19.000 0.184 0.000 0.819 288 A HN -0.205 8.122 8.150 0.294 0.000 0.442 289 N N -1.780 117.000 118.700 0.133 0.000 2.331 289 N HA -0.146 4.924 4.740 0.111 -0.263 0.180 289 N C 2.502 178.052 175.510 0.067 0.000 1.019 289 N CA 2.141 55.249 53.050 0.096 0.000 0.881 289 N CB 0.059 38.592 38.487 0.077 0.000 0.972 289 N HN 0.045 8.505 8.380 0.134 0.000 0.435 290 D N 0.336 120.774 120.400 0.064 0.000 2.178 290 D HA -0.164 4.492 4.640 0.027 0.000 0.201 290 D C 0.490 176.803 176.300 0.021 0.000 0.980 290 D CA 2.628 56.650 54.000 0.037 0.000 0.842 290 D CB -0.219 40.604 40.800 0.038 0.000 0.948 290 D HN 0.098 8.498 8.370 0.077 0.016 0.472 291 L N -3.355 117.897 121.223 0.049 0.000 2.653 291 L HA 0.055 4.369 4.340 -0.044 0.000 0.231 291 L C -1.378 175.447 176.870 -0.075 0.000 1.153 291 L CA -0.605 54.246 54.840 0.019 0.000 0.933 291 L CB 0.053 42.187 42.059 0.125 0.000 1.175 291 L HN -0.843 7.308 8.230 0.085 0.130 0.473 292 D N -6.634 113.762 120.400 -0.006 0.000 2.870 292 D HA -0.429 4.476 4.640 0.010 -0.259 0.228 292 D C -1.233 175.031 176.300 -0.061 0.000 1.147 292 D CA 1.977 55.972 54.000 -0.007 0.000 0.757 292 D CB -2.014 38.863 40.800 0.128 0.000 1.091 292 D HN -0.424 7.769 8.370 0.034 0.198 0.429 293 Y N -1.858 118.478 120.300 0.059 0.000 2.326 293 Y HA 0.151 4.881 4.550 0.118 -0.109 0.337 293 Y C -0.555 175.405 175.900 0.099 0.000 1.023 293 Y CA -0.493 57.648 58.100 0.067 0.000 1.143 293 Y CB 0.652 39.090 38.460 -0.036 0.000 1.183 293 Y HN -0.572 7.782 8.280 0.201 0.047 0.485 294 A N 3.518 126.511 122.820 0.288 0.000 2.371 294 A HA 0.254 4.830 4.320 0.160 -0.160 0.257 294 A C -0.833 176.869 177.584 0.196 0.000 1.089 294 A CA -0.672 51.490 52.037 0.207 0.000 0.794 294 A CB 1.199 20.323 19.000 0.207 0.000 1.029 294 A HN 0.301 8.651 8.150 0.333 0.000 0.488 295 S N 0.096 115.883 115.700 0.144 0.000 2.586 295 S HA 0.054 4.618 4.470 0.158 0.000 0.274 295 S C 0.374 175.005 174.600 0.053 0.000 1.281 295 S CA -0.179 58.093 58.200 0.119 0.000 1.035 295 S CB 0.959 64.216 63.200 0.095 0.000 0.962 295 S HN -0.006 8.378 8.310 0.123 0.000 0.512 296 L N 4.763 125.978 121.223 -0.013 0.000 2.483 296 L HA 0.039 4.262 4.340 -0.194 0.000 0.276 296 L C -1.549 175.213 176.870 -0.179 0.000 1.213 296 L CA -1.020 53.707 54.840 -0.188 0.000 0.843 296 L CB -0.705 41.141 42.059 -0.356 0.000 1.107 296 L HN 0.359 8.610 8.230 0.035 0.000 0.487 297 P HA 0.047 4.416 4.420 -0.084 0.000 0.268 297 P C -0.305 176.873 177.300 -0.203 0.000 1.208 297 P CA -0.491 62.520 63.100 -0.148 0.000 0.777 297 P CB 0.790 32.429 31.700 -0.101 0.000 0.875 298 D N 1.736 122.053 120.400 -0.139 0.000 2.149 298 D HA -0.342 4.181 4.640 -0.195 0.000 0.198 298 D C 1.911 178.105 176.300 -0.176 0.000 0.990 298 D CA 3.921 57.826 54.000 -0.158 0.000 0.839 298 D CB -0.416 40.325 40.800 -0.099 0.000 0.948 298 D HN 0.442 8.754 8.370 -0.097 0.000 0.460 299 S N -1.131 114.491 115.700 -0.130 0.000 2.382 299 S HA -0.241 4.176 4.470 -0.088 0.000 0.228 299 S C 1.728 176.241 174.600 -0.147 0.000 1.027 299 S CA 3.136 61.275 58.200 -0.102 0.000 0.991 299 S CB -0.621 62.558 63.200 -0.035 0.000 0.823 299 S HN 0.117 8.347 8.310 -0.106 0.017 0.469 300 V N 3.052 122.815 119.914 -0.252 0.000 2.358 300 V HA -0.253 3.965 4.120 -0.140 -0.182 0.246 300 V C 1.977 177.834 176.094 -0.395 0.000 1.047 300 V CA 2.981 65.089 62.300 -0.320 0.000 1.035 300 V CB -0.837 30.581 31.823 -0.674 0.000 0.658 300 V HN -0.588 7.421 8.190 -0.283 0.012 0.452 301 V N 0.450 120.048 119.914 -0.526 0.000 2.332 301 V HA -0.529 2.944 4.120 -1.079 0.000 0.248 301 V C 2.397 178.172 176.094 -0.531 0.000 1.055 301 V CA 4.388 66.233 62.300 -0.758 0.000 1.038 301 V CB -1.236 30.140 31.823 -0.745 0.000 0.651 301 V HN -0.551 7.355 8.190 -0.473 0.000 0.450 302 E N -1.381 118.631 120.200 -0.314 0.000 2.110 302 E HA -0.346 3.879 4.350 -0.208 0.000 0.193 302 E C 2.719 179.219 176.600 -0.166 0.000 0.988 302 E CA 3.109 59.387 56.400 -0.203 0.000 0.804 302 E CB -0.777 28.853 29.700 -0.117 0.000 0.745 302 E HN -0.139 8.053 8.360 -0.280 0.000 0.458 303 Q N -0.373 119.361 119.800 -0.110 0.000 2.096 303 Q HA -0.309 4.035 4.340 0.007 0.000 0.204 303 Q C 2.714 178.718 176.000 0.007 0.000 0.982 303 Q CA 3.055 58.868 55.803 0.018 0.000 0.850 303 Q CB -0.037 28.816 28.738 0.191 0.000 0.901 303 Q HN -0.409 7.717 8.270 -0.118 0.073 0.422 304 V N 0.382 120.167 119.914 -0.216 0.000 2.295 304 V HA -0.519 3.479 4.120 -0.204 0.000 0.246 304 V C 1.780 177.290 176.094 -0.973 0.000 1.049 304 V CA 4.827 66.781 62.300 -0.577 0.000 1.024 304 V CB -0.366 30.892 31.823 -0.942 0.000 0.648 304 V HN -0.056 7.959 8.190 -0.292 0.000 0.447 305 R N -1.141 118.857 120.500 -0.836 0.000 2.081 305 R HA -0.402 3.375 4.340 -0.938 0.000 0.235 305 R C 2.248 178.452 176.300 -0.160 0.000 1.131 305 R CA 3.744 59.495 56.100 -0.581 0.000 0.960 305 R CB -0.354 29.840 30.300 -0.175 0.000 0.856 305 R HN -0.136 7.716 8.270 -0.697 0.000 0.436 306 A N -1.522 121.236 122.820 -0.104 0.000 1.902 306 A HA -0.187 4.164 4.320 0.052 0.000 0.217 306 A C 1.831 179.413 177.584 -0.003 0.000 1.181 306 A CA 2.834 54.870 52.037 -0.002 0.000 0.623 306 A CB -0.818 18.180 19.000 -0.003 0.000 0.818 306 A HN -0.181 7.882 8.150 -0.146 0.000 0.443 307 A N -1.533 121.262 122.820 -0.043 0.000 1.968 307 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 307 A C 1.878 179.339 177.584 -0.206 0.000 1.169 307 A CA 2.274 54.290 52.037 -0.035 0.000 0.638 307 A CB -0.406 18.733 19.000 0.232 0.000 0.812 307 A HN -0.396 7.713 8.150 -0.068 0.000 0.446 308 W N -2.309 118.781 121.300 -0.351 0.000 2.338 308 W HA -0.355 3.919 4.660 -0.644 0.000 0.304 308 W C 2.306 178.717 176.519 -0.180 0.000 1.212 308 W CA 1.943 59.030 57.345 -0.429 0.000 1.264 308 W CB -0.799 28.343 29.460 -0.531 0.000 1.142 308 W HN 0.169 8.176 8.180 -0.289 0.000 0.512 309 K N -4.888 115.647 120.400 0.226 0.000 2.147 309 K HA -0.168 4.443 4.320 0.234 -0.151 0.205 309 K C 1.304 177.950 176.600 0.077 0.000 1.049 309 K CA 2.767 59.168 56.287 0.191 0.000 0.936 309 K CB -0.137 32.474 32.500 0.184 0.000 0.722 309 K HN -0.655 7.721 8.250 0.225 0.009 0.446 310 T N -7.823 106.748 114.554 0.028 0.000 3.044 310 T HA 0.008 4.373 4.350 0.025 0.000 0.250 310 T C 0.415 175.107 174.700 -0.014 0.000 1.081 310 T CA 0.801 62.908 62.100 0.012 0.000 1.040 310 T CB 0.548 69.427 68.868 0.019 0.000 0.962 310 T HN -0.730 7.501 8.240 0.016 0.018 0.506 311 N N -0.923 117.727 118.700 -0.084 0.000 2.397 311 N HA 0.171 4.896 4.740 -0.025 0.000 0.190 311 N C -0.874 174.595 175.510 -0.068 0.000 1.099 311 N CA 1.641 54.627 53.050 -0.105 0.000 0.876 311 N CB 2.360 40.659 38.487 -0.313 0.000 1.143 311 N HN -0.613 7.699 8.380 -0.115 0.000 0.468 312 I N 0.996 121.521 120.570 -0.074 0.000 2.330 312 I HA 0.216 4.546 4.170 0.007 -0.156 0.289 312 I C -1.620 174.503 176.117 0.011 0.000 1.001 312 I CA -2.121 59.163 61.300 -0.027 0.000 1.193 312 I CB -1.320 36.633 38.000 -0.078 0.000 1.345 312 I HN -0.462 7.702 8.210 -0.076 0.000 0.461 313 K N 6.008 126.427 120.400 0.031 0.000 2.480 313 K HA 0.764 5.272 4.320 0.028 -0.172 0.258 313 K C -1.415 175.207 176.600 0.036 0.000 0.990 313 K CA -1.927 54.380 56.287 0.032 0.000 0.857 313 K CB 4.725 37.245 32.500 0.033 0.000 1.384 313 K HN 0.641 8.917 8.250 0.043 0.000 0.446 314 D N -0.958 119.460 120.400 0.029 0.000 2.447 314 D HA 0.303 5.105 4.640 0.031 -0.144 0.265 314 D C 2.058 178.374 176.300 0.026 0.000 1.250 314 D CA -1.478 52.538 54.000 0.027 0.000 1.046 314 D CB 0.727 41.539 40.800 0.020 0.000 1.095 314 D HN 0.164 8.549 8.370 0.026 0.000 0.555 315 S N -1.503 114.210 115.700 0.022 0.000 2.507 315 S HA -0.184 4.418 4.470 0.024 -0.118 0.235 315 S C 0.535 175.146 174.600 0.018 0.000 0.988 315 S CA 2.708 60.920 58.200 0.020 0.000 0.944 315 S CB -0.669 62.539 63.200 0.014 0.000 0.762 315 S HN 0.389 8.711 8.310 0.019 0.000 0.526 316 S N 0.202 115.912 115.700 0.017 0.000 2.556 316 S HA 0.134 4.613 4.470 0.014 0.000 0.216 316 S C 0.011 174.621 174.600 0.016 0.000 0.970 316 S CA 0.344 58.553 58.200 0.015 0.000 0.912 316 S CB 0.477 63.684 63.200 0.012 0.000 0.790 316 S HN -0.461 8.033 8.310 0.017 -0.175 0.504 317 G N 0.731 109.543 108.800 0.020 0.000 2.175 317 G HA2 -0.430 3.545 3.960 0.025 0.000 0.244 317 G HA3 -0.430 3.542 3.960 0.020 0.000 0.244 317 G C -1.360 173.553 174.900 0.020 0.000 0.982 317 G CA -0.123 44.990 45.100 0.021 0.000 0.641 317 G HN -0.362 7.818 8.290 0.022 0.123 0.527 318 K N 2.411 122.822 120.400 0.018 0.000 2.297 318 K HA 0.377 4.706 4.320 0.015 0.000 0.286 318 K C -2.292 174.321 176.600 0.021 0.000 1.053 318 K CA -2.519 53.777 56.287 0.016 0.000 0.940 318 K CB 0.938 33.445 32.500 0.012 0.000 1.019 318 K HN -0.476 8.035 8.250 0.018 -0.250 0.475 319 P HA 0.038 4.667 4.420 0.035 -0.187 0.269 319 P C -0.822 176.498 177.300 0.034 0.000 1.209 319 P CA 0.270 63.390 63.100 0.034 0.000 0.776 319 P CB 0.600 32.325 31.700 0.042 0.000 0.876 320 L N 0.212 121.462 121.223 0.045 0.000 2.700 320 L HA 0.197 4.553 4.340 0.027 0.000 0.234 320 L C -1.073 175.855 176.870 0.096 0.000 1.156 320 L CA -0.556 54.309 54.840 0.041 0.000 0.946 320 L CB -0.048 42.020 42.059 0.016 0.000 1.216 320 L HN 0.184 8.442 8.230 0.047 0.000 0.493 321 Y N 0.000 120.283 120.300 -0.029 0.000 2.660 321 Y HA 0.000 4.547 4.550 -0.005 0.000 0.201 321 Y CA 0.000 58.104 58.100 0.007 0.000 1.940 321 Y CB 0.000 38.484 38.460 0.040 0.000 1.050 321 Y HN 0.000 8.298 8.280 0.149 0.072 0.758