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 3kqs_1_A DATA FIRST_RESID 24 DATA SEQUENCE ASAYQRFEPR AYLRNNYAPP RGDLCNPNGV GPWKLRCLAQ TFATGEVSGR DATA SEQUENCE TLIDIGSGPT VYQLLSACSH FEDITMTDFL EVNRQELGRW LQEEPGAFNW DATA SEQUENCE SMYSQHACLI EGKGECWQDK ERQLRARVKR VLPIDVHQPQ PLGAGSPAPL DATA SEQUENCE PADALVSAFC LEAVSPDLAS FQRALDHITT LLRPGGHLLL IGALEESWYL DATA SEQUENCE AGEARLTVVP VSEEEVREAL VRSGYKVRDL RTYIMPAHLQ TGVDDVKGVF DATA SEQUENCE FAWAQKV 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 24 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 24 A C 0.000 177.703 177.584 0.198 0.000 1.274 24 A CA 0.000 52.127 52.037 0.150 0.000 0.836 24 A CB 0.000 19.037 19.000 0.062 0.000 0.831 25 S N 1.373 117.157 115.700 0.140 0.000 2.441 25 S HA -0.137 4.333 4.470 0.001 0.000 0.242 25 S C 2.061 176.731 174.600 0.118 0.000 1.018 25 S CA 1.692 59.974 58.200 0.136 0.000 0.988 25 S CB -0.436 62.816 63.200 0.087 0.000 0.778 25 S HN 1.261 9.571 8.310 -0.000 0.000 0.498 26 A N 0.517 123.378 122.820 0.069 0.000 1.940 26 A HA -0.139 4.181 4.320 0.001 0.000 0.219 26 A C 1.796 179.368 177.584 -0.019 0.000 1.176 26 A CA 1.354 53.378 52.037 -0.021 0.000 0.631 26 A CB -0.915 18.015 19.000 -0.117 0.000 0.814 26 A HN 0.590 8.740 8.150 -0.000 0.000 0.446 27 Y N -0.172 120.202 120.300 0.122 0.000 2.497 27 Y HA -0.153 4.398 4.550 0.001 0.000 0.292 27 Y C 2.486 178.511 175.900 0.208 0.000 1.137 27 Y CA 1.178 59.383 58.100 0.175 0.000 1.285 27 Y CB 0.117 38.657 38.460 0.135 0.000 0.991 27 Y HN 0.304 8.584 8.280 -0.000 0.000 0.556 28 Q N 0.041 120.012 119.800 0.285 0.000 2.364 28 Q HA -0.106 4.235 4.340 0.001 0.000 0.207 28 Q C 1.551 177.655 176.000 0.173 0.000 0.970 28 Q CA 1.189 57.119 55.803 0.211 0.000 0.888 28 Q CB -0.143 28.687 28.738 0.153 0.000 0.951 28 Q HN 0.529 8.799 8.270 -0.000 0.000 0.469 29 R N -1.173 119.421 120.500 0.157 0.000 2.334 29 R HA 0.139 4.480 4.340 0.001 0.000 0.212 29 R C 0.122 176.508 176.300 0.142 0.000 0.897 29 R CA -0.455 55.712 56.100 0.111 0.000 1.056 29 R CB 0.184 30.510 30.300 0.044 0.000 1.046 29 R HN 0.044 8.314 8.270 -0.000 0.000 0.513 30 F N 3.320 123.308 119.950 0.062 0.000 2.593 30 F HA -0.102 4.426 4.527 0.001 0.000 0.393 30 F C 0.028 175.889 175.800 0.101 0.000 1.037 30 F CA 0.544 58.597 58.000 0.088 0.000 1.195 30 F CB 0.375 39.500 39.000 0.208 0.000 1.034 30 F HN -0.034 8.266 8.300 -0.000 0.000 0.552 31 E N 8.477 128.555 120.200 -0.204 0.000 2.092 31 E HA 0.152 4.502 4.350 0.001 0.000 0.271 31 E C -1.933 174.587 176.600 -0.134 0.000 0.919 31 E CA -1.759 54.601 56.400 -0.066 0.000 0.760 31 E CB 1.248 30.921 29.700 -0.045 0.000 1.106 31 E HN 0.450 8.810 8.360 -0.000 0.000 0.408 32 P HA -0.203 4.217 4.420 -0.000 0.000 0.216 32 P C 1.160 178.560 177.300 0.167 0.000 1.153 32 P CA 1.059 64.313 63.100 0.257 0.000 0.858 32 P CB 0.309 32.182 31.700 0.289 0.000 0.789 33 R N -0.483 120.086 120.500 0.114 0.000 2.092 33 R HA 0.020 4.361 4.340 0.001 0.000 0.231 33 R C 2.233 178.572 176.300 0.064 0.000 1.119 33 R CA 1.643 57.804 56.100 0.101 0.000 0.970 33 R CB -1.845 28.514 30.300 0.100 0.000 0.864 33 R HN 0.173 8.443 8.270 -0.000 0.000 0.440 34 A N 0.384 123.219 122.820 0.026 0.000 1.902 34 A HA -0.206 4.114 4.320 0.001 0.000 0.217 34 A C 2.126 179.708 177.584 -0.003 0.000 1.181 34 A CA 1.256 53.291 52.037 -0.003 0.000 0.623 34 A CB -0.815 18.163 19.000 -0.036 0.000 0.818 34 A HN 0.381 8.531 8.150 -0.000 0.000 0.443 35 Y N 0.531 120.742 120.300 -0.148 0.000 2.128 35 Y HA -0.211 4.339 4.550 0.001 0.000 0.284 35 Y C 1.969 177.876 175.900 0.011 0.000 1.154 35 Y CA 2.010 60.058 58.100 -0.086 0.000 1.149 35 Y CB -0.350 38.036 38.460 -0.123 0.000 0.976 35 Y HN 0.223 8.503 8.280 -0.000 0.000 0.505 36 L N -0.102 121.134 121.223 0.021 0.000 2.046 36 L HA -0.232 4.108 4.340 0.001 0.000 0.208 36 L C 2.778 179.585 176.870 -0.105 0.000 1.077 36 L CA 1.867 56.619 54.840 -0.147 0.000 0.747 36 L CB -0.569 41.248 42.059 -0.404 0.000 0.896 36 L HN 0.157 8.387 8.230 -0.000 0.000 0.432 37 R N 0.193 120.681 120.500 -0.020 0.000 2.081 37 R HA -0.168 4.172 4.340 0.001 0.000 0.235 37 R C 2.046 178.296 176.300 -0.083 0.000 1.131 37 R CA 1.696 57.800 56.100 0.007 0.000 0.960 37 R CB -0.102 30.211 30.300 0.022 0.000 0.856 37 R HN 0.354 8.624 8.270 -0.000 0.000 0.436 38 N N 0.387 118.997 118.700 -0.150 0.000 2.309 38 N HA -0.104 4.637 4.740 0.001 0.000 0.182 38 N C 0.671 175.976 175.510 -0.342 0.000 1.018 38 N CA 1.180 54.110 53.050 -0.200 0.000 0.876 38 N CB -0.048 38.335 38.487 -0.173 0.000 0.972 38 N HN 0.382 8.762 8.380 -0.000 0.000 0.434 39 N N -1.510 116.871 118.700 -0.531 0.000 2.297 39 N HA 0.091 4.832 4.740 0.001 0.000 0.208 39 N C -0.020 174.846 175.510 -1.074 0.000 1.176 39 N CA 0.203 52.699 53.050 -0.924 0.000 0.882 39 N CB 0.615 38.255 38.487 -1.411 0.000 1.134 39 N HN 0.272 8.652 8.380 -0.000 0.000 0.489 40 Y N 0.315 120.495 120.300 -0.200 0.000 2.717 40 Y HA 0.539 5.090 4.550 0.001 0.000 0.250 40 Y C 0.456 176.424 175.900 0.113 0.000 1.149 40 Y CA -0.571 57.500 58.100 -0.049 0.000 1.211 40 Y CB 0.883 39.189 38.460 -0.256 0.000 1.289 40 Y HN -0.089 8.191 8.280 -0.000 0.000 0.552 41 A N 0.423 123.307 122.820 0.107 0.000 2.322 41 A HA 0.760 5.081 4.320 0.001 0.000 0.327 41 A C -2.764 174.820 177.584 -0.000 0.000 1.134 41 A CA -2.127 49.958 52.037 0.080 0.000 0.831 41 A CB 0.663 19.702 19.000 0.065 0.000 1.288 41 A HN -0.129 8.021 8.150 -0.000 0.000 0.472 42 P HA 0.082 4.502 4.420 -0.000 0.000 0.266 42 P C -1.686 175.595 177.300 -0.032 0.000 1.193 42 P CA -0.490 62.594 63.100 -0.026 0.000 0.770 42 P CB 0.230 31.915 31.700 -0.025 0.000 0.836 43 P HA 0.055 4.475 4.420 -0.000 0.000 0.221 43 P C 1.210 178.489 177.300 -0.036 0.000 1.155 43 P CA 1.101 64.198 63.100 -0.005 0.000 0.812 43 P CB 0.307 32.035 31.700 0.046 0.000 0.801 44 R N -0.072 120.372 120.500 -0.093 0.000 2.127 44 R HA -0.020 4.320 4.340 0.001 0.000 0.238 44 R C 2.253 178.497 176.300 -0.094 0.000 1.134 44 R CA 1.514 57.531 56.100 -0.138 0.000 0.975 44 R CB -0.851 29.301 30.300 -0.247 0.000 0.865 44 R HN 0.236 8.506 8.270 -0.000 0.000 0.447 45 G N 0.117 108.890 108.800 -0.045 0.000 3.141 45 G HA2 -0.097 3.863 3.960 0.001 0.000 0.218 45 G HA3 -0.097 3.863 3.960 0.001 0.000 0.218 45 G C -0.556 174.291 174.900 -0.087 0.000 1.170 45 G CA -0.348 44.776 45.100 0.040 0.000 0.769 45 G HN 0.154 8.444 8.290 -0.000 0.000 0.546 46 D N 0.480 120.821 120.400 -0.098 0.000 2.316 46 D HA 0.245 4.886 4.640 0.001 0.000 0.245 46 D C 1.254 177.432 176.300 -0.203 0.000 1.171 46 D CA -0.346 53.580 54.000 -0.124 0.000 0.856 46 D CB 0.762 41.526 40.800 -0.060 0.000 1.090 46 D HN 0.020 8.390 8.370 -0.000 0.000 0.476 47 L N 3.177 124.200 121.223 -0.333 0.000 2.640 47 L HA 0.133 4.474 4.340 0.001 0.000 0.230 47 L C 1.724 178.371 176.870 -0.371 0.000 1.123 47 L CA -0.340 54.156 54.840 -0.573 0.000 0.900 47 L CB 0.056 41.408 42.059 -1.179 0.000 1.146 47 L HN 0.534 8.764 8.230 -0.000 0.000 0.484 48 C N -0.093 119.139 119.300 -0.113 0.000 2.440 48 C HA -0.063 4.398 4.460 0.001 0.000 0.278 48 C C 1.551 176.563 174.990 0.037 0.000 1.295 48 C CA 0.163 59.201 59.018 0.033 0.000 1.738 48 C CB -0.932 26.820 27.740 0.020 0.000 1.987 48 C HN 0.516 8.746 8.230 -0.000 0.000 0.492 49 N N 1.307 120.008 118.700 0.002 0.000 2.405 49 N HA 0.111 4.851 4.740 0.001 0.000 0.260 49 N C -1.778 173.760 175.510 0.047 0.000 1.152 49 N CA -1.592 51.473 53.050 0.026 0.000 0.948 49 N CB 1.009 39.511 38.487 0.025 0.000 1.111 49 N HN 0.180 8.560 8.380 -0.000 0.000 0.485 50 P HA 0.009 4.429 4.420 -0.000 0.000 0.226 50 P C 0.197 177.570 177.300 0.120 0.000 1.153 50 P CA 0.800 63.955 63.100 0.092 0.000 0.777 50 P CB 0.363 32.115 31.700 0.087 0.000 0.794 51 N N -0.709 118.068 118.700 0.129 0.000 2.336 51 N HA 0.059 4.800 4.740 0.001 0.000 0.189 51 N C 1.132 176.798 175.510 0.260 0.000 1.113 51 N CA 0.302 53.467 53.050 0.193 0.000 0.858 51 N CB -0.065 38.514 38.487 0.154 0.000 0.970 51 N HN 0.113 8.493 8.380 -0.000 0.000 0.471 52 G N -0.235 108.663 108.800 0.163 0.000 2.616 52 G HA2 0.192 4.152 3.960 0.001 0.000 0.268 52 G HA3 0.192 4.152 3.960 0.001 0.000 0.268 52 G C 1.097 175.933 174.900 -0.106 0.000 1.213 52 G CA -0.483 44.683 45.100 0.110 0.000 0.926 52 G HN 0.048 8.338 8.290 -0.000 0.000 0.523 53 V N 1.097 120.843 119.914 -0.280 0.000 2.548 53 V HA 0.022 4.142 4.120 0.001 0.000 0.249 53 V C 2.546 178.513 176.094 -0.212 0.000 1.055 53 V CA 2.820 64.747 62.300 -0.621 0.000 1.065 53 V CB -0.743 30.818 31.823 -0.437 0.000 0.681 53 V HN 0.817 9.007 8.190 -0.000 0.000 0.462 54 G N 0.225 108.958 108.800 -0.112 0.000 2.453 54 G HA2 -0.159 3.801 3.960 0.001 0.000 0.215 54 G HA3 -0.159 3.801 3.960 0.001 0.000 0.215 54 G C -0.164 174.729 174.900 -0.012 0.000 1.201 54 G CA 1.110 46.194 45.100 -0.026 0.000 0.784 54 G HN 0.531 8.821 8.290 -0.000 0.000 0.545 55 P HA -0.141 4.279 4.420 -0.000 0.000 0.215 55 P C 1.293 178.626 177.300 0.055 0.000 1.153 55 P CA 1.066 64.167 63.100 0.002 0.000 0.853 55 P CB -0.102 31.608 31.700 0.017 0.000 0.788 56 W N 1.340 122.554 121.300 -0.142 0.000 2.335 56 W HA -0.171 4.489 4.660 0.000 0.000 0.311 56 W C 2.076 178.522 176.519 -0.121 0.000 1.213 56 W CA 1.772 59.032 57.345 -0.141 0.000 1.274 56 W CB -0.475 28.812 29.460 -0.288 0.000 1.148 56 W HN -0.188 7.992 8.180 -0.000 0.000 0.498 57 K N -0.128 120.353 120.400 0.135 0.000 2.026 57 K HA -0.198 4.123 4.320 0.001 0.000 0.208 57 K C 2.017 178.567 176.600 -0.084 0.000 1.048 57 K CA 1.919 58.226 56.287 0.033 0.000 0.929 57 K CB -0.761 31.906 32.500 0.277 0.000 0.713 57 K HN 0.278 8.528 8.250 -0.000 0.000 0.439 58 L N 0.352 121.589 121.223 0.024 0.000 2.093 58 L HA -0.150 4.190 4.340 0.001 0.000 0.208 58 L C 2.707 179.526 176.870 -0.085 0.000 1.085 58 L CA 1.013 55.879 54.840 0.043 0.000 0.755 58 L CB -0.344 41.789 42.059 0.123 0.000 0.904 58 L HN 0.191 8.421 8.230 -0.000 0.000 0.435 59 R N -0.481 119.920 120.500 -0.165 0.000 2.073 59 R HA -0.171 4.170 4.340 0.001 0.000 0.234 59 R C 2.492 178.547 176.300 -0.409 0.000 1.134 59 R CA 1.893 57.857 56.100 -0.227 0.000 0.952 59 R CB -0.380 29.792 30.300 -0.215 0.000 0.850 59 R HN 0.378 8.648 8.270 -0.000 0.000 0.433 60 C N 0.501 119.375 119.300 -0.709 0.000 2.413 60 C HA -0.098 4.362 4.460 0.001 0.000 0.276 60 C C 2.575 177.012 174.990 -0.921 0.000 1.236 60 C CA 0.663 59.010 59.018 -1.118 0.000 1.735 60 C CB -0.918 25.703 27.740 -1.866 0.000 2.031 60 C HN 0.490 8.720 8.230 -0.000 0.000 0.474 61 L N 0.924 121.828 121.223 -0.532 0.000 2.027 61 L HA -0.102 4.238 4.340 0.001 0.000 0.206 61 L C 2.896 179.762 176.870 -0.006 0.000 1.074 61 L CA 1.619 56.362 54.840 -0.161 0.000 0.745 61 L CB -0.846 41.251 42.059 0.064 0.000 0.898 61 L HN 0.314 8.544 8.230 -0.000 0.000 0.433 62 A N -0.346 122.458 122.820 -0.027 0.000 1.883 62 A HA -0.272 4.049 4.320 0.001 0.000 0.217 62 A C 2.239 179.802 177.584 -0.035 0.000 1.186 62 A CA 1.763 53.819 52.037 0.031 0.000 0.624 62 A CB -0.605 18.399 19.000 0.007 0.000 0.822 62 A HN 0.480 8.630 8.150 -0.000 0.000 0.444 63 Q N -0.987 118.730 119.800 -0.138 0.000 2.096 63 Q HA -0.146 4.194 4.340 0.001 0.000 0.204 63 Q C 2.216 178.087 176.000 -0.216 0.000 0.982 63 Q CA 1.992 57.705 55.803 -0.150 0.000 0.850 63 Q CB -0.458 28.174 28.738 -0.176 0.000 0.901 63 Q HN 0.691 8.961 8.270 -0.000 0.000 0.422 64 T N 0.472 114.815 114.554 -0.352 0.000 2.708 64 T HA -0.122 4.228 4.350 0.001 0.000 0.266 64 T C 1.376 175.637 174.700 -0.732 0.000 1.037 64 T CA 1.190 62.904 62.100 -0.643 0.000 1.146 64 T CB -0.322 68.094 68.868 -0.753 0.000 0.865 64 T HN 0.208 8.448 8.240 -0.000 0.000 0.435 65 F N 1.327 121.021 119.950 -0.425 0.000 2.325 65 F HA 0.134 4.662 4.527 0.001 0.000 0.299 65 F C 2.539 178.121 175.800 -0.363 0.000 1.090 65 F CA 0.467 58.161 58.000 -0.510 0.000 1.392 65 F CB -0.326 38.353 39.000 -0.535 0.000 1.053 65 F HN 0.116 8.416 8.300 -0.000 0.000 0.521 66 A N -0.089 122.703 122.820 -0.047 0.000 2.168 66 A HA -0.139 4.182 4.320 0.001 0.000 0.215 66 A C 2.191 179.763 177.584 -0.021 0.000 1.152 66 A CA 1.662 53.705 52.037 0.009 0.000 0.716 66 A CB -1.290 17.716 19.000 0.011 0.000 0.794 66 A HN 0.408 8.558 8.150 -0.000 0.000 0.465 67 T N -3.825 110.671 114.554 -0.097 0.000 2.962 67 T HA 0.237 4.587 4.350 0.001 0.000 0.270 67 T C 1.660 176.350 174.700 -0.017 0.000 1.088 67 T CA 1.303 63.375 62.100 -0.047 0.000 1.127 67 T CB -0.538 68.297 68.868 -0.054 0.000 0.883 67 T HN 1.636 9.876 8.240 -0.000 0.000 0.493 68 G N 1.229 110.003 108.800 -0.044 0.000 2.189 68 G HA2 -0.300 3.661 3.960 0.001 0.000 0.267 68 G HA3 -0.300 3.661 3.960 0.001 0.000 0.267 68 G C 0.643 175.538 174.900 -0.009 0.000 0.975 68 G CA 0.530 45.633 45.100 0.006 0.000 0.644 68 G HN 0.615 8.905 8.290 -0.000 0.000 0.537 69 E N -0.852 119.319 120.200 -0.048 0.000 2.385 69 E HA 0.197 4.547 4.350 0.001 0.000 0.194 69 E C 0.542 177.058 176.600 -0.140 0.000 1.013 69 E CA 0.466 56.874 56.400 0.013 0.000 0.866 69 E CB 0.593 30.406 29.700 0.189 0.000 0.832 69 E HN 0.369 8.729 8.360 -0.000 0.000 0.500 70 V N 2.474 122.205 119.914 -0.304 0.000 2.288 70 V HA 0.184 4.305 4.120 0.001 0.000 0.266 70 V C -0.119 175.992 176.094 0.028 0.000 1.048 70 V CA -0.393 61.727 62.300 -0.301 0.000 0.842 70 V CB 0.515 31.998 31.823 -0.567 0.000 1.064 70 V HN 0.113 8.303 8.190 -0.000 0.000 0.472 71 S N 2.695 118.447 115.700 0.086 0.000 2.671 71 S HA 1.041 5.511 4.470 0.001 0.000 0.277 71 S C -0.199 174.351 174.600 -0.083 0.000 1.165 71 S CA -0.185 57.921 58.200 -0.158 0.000 0.822 71 S CB 2.525 65.682 63.200 -0.072 0.000 1.150 71 S HN 1.463 9.773 8.310 -0.000 0.000 0.479 72 G N 0.297 108.912 108.800 -0.309 0.000 2.339 72 G HA2 0.282 4.243 3.960 0.001 0.000 0.275 72 G HA3 0.282 4.243 3.960 0.001 0.000 0.275 72 G C -0.365 174.505 174.900 -0.050 0.000 1.323 72 G CA -0.156 44.941 45.100 -0.006 0.000 0.927 72 G HN 0.786 9.076 8.290 -0.000 0.000 0.486 73 R N -0.878 119.722 120.500 0.166 0.000 2.164 73 R HA 0.331 4.672 4.340 0.001 0.000 0.198 73 R C 1.049 177.520 176.300 0.286 0.000 1.028 73 R CA 1.543 57.735 56.100 0.152 0.000 1.083 73 R CB 0.248 30.604 30.300 0.094 0.000 1.026 73 R HN 0.857 9.127 8.270 -0.000 0.000 0.514 74 T N -1.176 113.577 114.554 0.331 0.000 2.863 74 T HA 0.567 4.918 4.350 0.001 0.000 0.285 74 T C -0.776 173.987 174.700 0.105 0.000 1.009 74 T CA -0.784 61.444 62.100 0.212 0.000 0.989 74 T CB 2.024 70.955 68.868 0.104 0.000 1.004 74 T HN 0.097 8.337 8.240 -0.000 0.000 0.455 75 L N 2.816 124.000 121.223 -0.065 0.000 2.422 75 L HA 0.782 5.122 4.340 0.001 0.000 0.264 75 L C -1.729 175.048 176.870 -0.156 0.000 0.984 75 L CA -1.265 53.401 54.840 -0.289 0.000 0.819 75 L CB 1.776 43.430 42.059 -0.675 0.000 1.330 75 L HN 0.796 9.026 8.230 -0.000 0.000 0.410 76 I N 2.827 123.311 120.570 -0.144 0.000 2.436 76 I HA 0.323 4.494 4.170 0.001 0.000 0.289 76 I C -1.225 174.824 176.117 -0.113 0.000 1.010 76 I CA -0.556 60.684 61.300 -0.100 0.000 1.098 76 I CB 1.900 39.860 38.000 -0.066 0.000 1.266 76 I HN 0.521 8.731 8.210 -0.000 0.000 0.434 77 D N 7.216 127.549 120.400 -0.112 0.000 2.274 77 D HA 0.338 4.978 4.640 0.001 0.000 0.239 77 D C -0.598 175.639 176.300 -0.105 0.000 1.104 77 D CA -0.276 53.650 54.000 -0.123 0.000 0.840 77 D CB 0.986 41.698 40.800 -0.148 0.000 1.100 77 D HN 0.150 8.520 8.370 -0.000 0.000 0.477 78 I N 3.394 123.903 120.570 -0.102 0.000 2.315 78 I HA 0.321 4.492 4.170 0.001 0.000 0.291 78 I C 1.327 177.386 176.117 -0.098 0.000 1.006 78 I CA -0.443 60.801 61.300 -0.093 0.000 1.265 78 I CB 0.469 38.415 38.000 -0.090 0.000 1.387 78 I HN 0.768 8.978 8.210 -0.000 0.000 0.475 79 G N 4.658 113.399 108.800 -0.097 0.000 2.351 79 G HA2 -0.254 3.707 3.960 0.001 0.000 0.297 79 G HA3 -0.254 3.707 3.960 0.001 0.000 0.297 79 G C 0.863 175.705 174.900 -0.097 0.000 1.054 79 G CA 0.453 45.489 45.100 -0.107 0.000 1.123 79 G HN 0.637 8.927 8.290 -0.000 0.000 0.512 80 S N -0.282 115.356 115.700 -0.104 0.000 2.419 80 S HA 0.235 4.705 4.470 0.001 0.000 0.233 80 S C 2.493 177.040 174.600 -0.087 0.000 1.016 80 S CA 1.387 59.517 58.200 -0.117 0.000 0.974 80 S CB -0.399 62.725 63.200 -0.126 0.000 0.786 80 S HN 2.405 10.715 8.310 -0.000 0.000 0.492 81 G N 2.140 110.882 108.800 -0.096 0.000 2.574 81 G HA2 -0.272 3.688 3.960 0.001 0.000 0.282 81 G HA3 -0.272 3.688 3.960 0.001 0.000 0.282 81 G C -2.346 172.551 174.900 -0.005 0.000 1.257 81 G CA 0.221 45.267 45.100 -0.090 0.000 0.956 81 G HN 0.371 8.661 8.290 -0.000 0.000 0.560 82 P HA 0.236 4.656 4.420 -0.000 0.000 0.259 82 P C 0.356 177.729 177.300 0.121 0.000 1.530 82 P CA 1.150 64.332 63.100 0.137 0.000 1.022 82 P CB 0.041 31.875 31.700 0.223 0.000 1.514 83 T N -2.962 111.569 114.554 -0.040 0.000 2.912 83 T HA 0.473 4.823 4.350 0.001 0.000 0.288 83 T C 0.718 174.961 174.700 -0.761 0.000 1.030 83 T CA -0.580 61.312 62.100 -0.347 0.000 1.020 83 T CB 2.020 70.717 68.868 -0.285 0.000 1.056 83 T HN -0.148 8.092 8.240 -0.000 0.000 0.480 84 V N -0.368 118.668 119.914 -1.464 0.000 3.451 84 V HA 0.219 4.339 4.120 0.001 0.000 0.288 84 V C 1.748 177.197 176.094 -1.074 0.000 1.502 84 V CA 0.358 61.945 62.300 -1.189 0.000 1.026 84 V CB -1.658 29.364 31.823 -1.335 0.000 0.840 84 V HN 0.945 9.135 8.190 -0.000 0.000 0.437 85 Y N 2.855 122.412 120.300 -1.237 0.000 2.241 85 Y HA -0.199 4.351 4.550 0.001 0.000 0.286 85 Y C 2.361 178.066 175.900 -0.325 0.000 1.166 85 Y CA 1.960 59.658 58.100 -0.670 0.000 1.203 85 Y CB -0.807 37.271 38.460 -0.637 0.000 0.977 85 Y HN 0.457 8.737 8.280 -0.000 0.000 0.529 86 Q N 1.208 120.219 119.800 -1.315 0.000 2.437 86 Q HA -0.047 4.294 4.340 0.001 0.000 0.210 86 Q C 1.207 176.984 176.000 -0.371 0.000 0.972 86 Q CA 1.352 56.666 55.803 -0.815 0.000 0.903 86 Q CB -0.359 27.871 28.738 -0.846 0.000 0.967 86 Q HN 0.733 9.003 8.270 -0.000 0.000 0.486 87 L N 0.007 121.011 121.223 -0.365 0.000 2.766 87 L HA 0.213 4.553 4.340 0.001 0.000 0.242 87 L C 1.868 178.629 176.870 -0.182 0.000 1.136 87 L CA -0.195 54.502 54.840 -0.239 0.000 0.933 87 L CB 0.096 42.015 42.059 -0.234 0.000 1.241 87 L HN 0.045 8.275 8.230 -0.000 0.000 0.522 88 L N -0.455 120.678 121.223 -0.149 0.000 2.046 88 L HA -0.175 4.166 4.340 0.001 0.000 0.208 88 L C 2.440 179.278 176.870 -0.053 0.000 1.077 88 L CA 1.378 56.184 54.840 -0.057 0.000 0.747 88 L CB -0.256 41.818 42.059 0.024 0.000 0.896 88 L HN 0.218 8.448 8.230 -0.000 0.000 0.432 89 S N -0.798 114.855 115.700 -0.079 0.000 2.446 89 S HA 0.052 4.523 4.470 0.001 0.000 0.225 89 S C 2.059 176.390 174.600 -0.448 0.000 1.016 89 S CA 0.728 58.855 58.200 -0.123 0.000 0.943 89 S CB 0.106 63.313 63.200 0.013 0.000 0.786 89 S HN 0.443 8.753 8.310 -0.000 0.000 0.508 90 A N 1.073 123.513 122.820 -0.634 0.000 1.969 90 A HA -0.131 4.190 4.320 0.001 0.000 0.218 90 A C 2.427 179.834 177.584 -0.296 0.000 1.169 90 A CA 1.470 52.918 52.037 -0.982 0.000 0.635 90 A CB -1.286 17.416 19.000 -0.497 0.000 0.810 90 A HN 0.793 8.943 8.150 -0.000 0.000 0.445 91 C N -0.156 119.049 119.300 -0.158 0.000 2.419 91 C HA -0.004 4.457 4.460 0.001 0.000 0.283 91 C C 2.697 177.664 174.990 -0.039 0.000 1.373 91 C CA 0.898 59.891 59.018 -0.042 0.000 1.781 91 C CB -1.732 25.992 27.740 -0.027 0.000 1.886 91 C HN 0.678 8.908 8.230 -0.000 0.000 0.520 92 S N -0.611 115.026 115.700 -0.105 0.000 2.603 92 S HA 0.009 4.479 4.470 0.001 0.000 0.220 92 S C 0.969 175.334 174.600 -0.391 0.000 0.967 92 S CA 0.817 58.885 58.200 -0.221 0.000 0.920 92 S CB -0.906 62.132 63.200 -0.271 0.000 0.773 92 S HN 0.846 9.156 8.310 -0.000 0.000 0.529 93 H N -0.645 118.327 119.070 -0.163 0.000 2.827 93 H HA 0.478 5.034 4.556 0.001 0.000 0.269 93 H C -0.967 174.002 175.328 -0.597 0.000 1.031 93 H CA -0.167 55.691 56.048 -0.316 0.000 1.202 93 H CB 0.410 29.998 29.762 -0.290 0.000 1.511 93 H HN 0.378 8.658 8.280 -0.000 0.000 0.517 94 F N 0.657 120.616 119.950 0.016 0.000 2.617 94 F HA 0.174 4.701 4.527 0.001 0.000 0.325 94 F C 0.823 176.618 175.800 -0.009 0.000 1.179 94 F CA -0.969 57.042 58.000 0.019 0.000 0.965 94 F CB 1.676 40.694 39.000 0.029 0.000 1.232 94 F HN 0.122 8.422 8.300 -0.000 0.000 0.461 95 E N 0.044 120.316 120.200 0.119 0.000 2.285 95 E HA -0.078 4.272 4.350 0.001 0.000 0.194 95 E C -0.221 176.424 176.600 0.075 0.000 0.997 95 E CA 0.656 57.093 56.400 0.063 0.000 0.845 95 E CB 0.519 30.234 29.700 0.025 0.000 0.782 95 E HN 0.378 8.738 8.360 -0.000 0.000 0.491 96 D N 0.999 121.465 120.400 0.110 0.000 2.471 96 D HA 0.306 4.946 4.640 0.001 0.000 0.245 96 D C -1.077 175.265 176.300 0.069 0.000 1.116 96 D CA -0.549 53.497 54.000 0.076 0.000 0.853 96 D CB 0.936 41.775 40.800 0.065 0.000 1.123 96 D HN 0.088 8.458 8.370 -0.000 0.000 0.540 97 I N 2.261 122.853 120.570 0.036 0.000 2.433 97 I HA 0.239 4.409 4.170 0.001 0.000 0.292 97 I C 0.079 176.188 176.117 -0.013 0.000 1.001 97 I CA -0.578 60.721 61.300 -0.001 0.000 1.119 97 I CB 2.308 40.303 38.000 -0.009 0.000 1.289 97 I HN 0.114 8.324 8.210 -0.000 0.000 0.438 98 T N 7.053 121.586 114.554 -0.034 0.000 2.779 98 T HA 0.554 4.904 4.350 0.001 0.000 0.280 98 T C -0.146 174.523 174.700 -0.051 0.000 0.987 98 T CA -0.529 61.552 62.100 -0.033 0.000 0.966 98 T CB 1.023 69.873 68.868 -0.029 0.000 0.933 98 T HN 0.370 8.610 8.240 -0.000 0.000 0.442 99 M N 2.934 122.508 119.600 -0.045 0.000 2.478 99 M HA 0.573 5.053 4.480 0.001 0.000 0.327 99 M C 0.298 176.566 176.300 -0.053 0.000 1.187 99 M CA -0.740 54.523 55.300 -0.061 0.000 1.022 99 M CB 1.919 34.484 32.600 -0.059 0.000 1.629 99 M HN 0.728 9.018 8.290 -0.000 0.000 0.461 100 T N -1.475 113.041 114.554 -0.064 0.000 2.900 100 T HA 0.756 5.106 4.350 0.001 0.000 0.303 100 T C -1.543 173.119 174.700 -0.064 0.000 1.142 100 T CA -0.812 61.254 62.100 -0.056 0.000 1.007 100 T CB 2.581 71.417 68.868 -0.054 0.000 1.156 100 T HN 0.716 8.956 8.240 -0.000 0.000 0.490 101 D N -0.534 119.832 120.400 -0.057 0.000 2.648 101 D HA 0.406 5.046 4.640 0.001 0.000 0.244 101 D C -0.214 176.066 176.300 -0.033 0.000 1.244 101 D CA -0.703 53.260 54.000 -0.062 0.000 0.772 101 D CB 1.503 42.250 40.800 -0.089 0.000 1.379 101 D HN 0.418 8.788 8.370 -0.000 0.000 0.428 102 F N 1.460 121.295 119.950 -0.193 0.000 2.259 102 F HA 0.341 4.868 4.527 0.001 0.000 0.298 102 F C -0.053 175.665 175.800 -0.137 0.000 1.088 102 F CA 0.794 58.690 58.000 -0.174 0.000 1.358 102 F CB 0.225 39.078 39.000 -0.246 0.000 1.040 102 F HN 0.236 8.536 8.300 -0.000 0.000 0.505 103 L N 0.946 122.089 121.223 -0.134 0.000 2.295 103 L HA 0.207 4.547 4.340 0.001 0.000 0.285 103 L C 1.355 178.160 176.870 -0.108 0.000 1.035 103 L CA -0.434 54.316 54.840 -0.150 0.000 0.806 103 L CB 1.601 43.623 42.059 -0.063 0.000 1.214 103 L HN -0.036 8.194 8.230 -0.000 0.000 0.426 104 E N 2.711 122.849 120.200 -0.104 0.000 2.110 104 E HA -0.187 4.164 4.350 0.001 0.000 0.193 104 E C 1.622 178.223 176.600 0.002 0.000 0.988 104 E CA 1.942 58.310 56.400 -0.053 0.000 0.804 104 E CB 0.011 29.680 29.700 -0.051 0.000 0.745 104 E HN 0.543 8.903 8.360 -0.000 0.000 0.458 105 V N -0.892 119.042 119.914 0.033 0.000 2.490 105 V HA -0.215 3.906 4.120 0.001 0.000 0.250 105 V C 1.765 177.919 176.094 0.099 0.000 1.061 105 V CA 2.226 64.575 62.300 0.082 0.000 1.064 105 V CB -0.948 30.952 31.823 0.129 0.000 0.670 105 V HN 0.213 8.403 8.190 -0.000 0.000 0.461 106 N N 0.445 119.187 118.700 0.070 0.000 2.171 106 N HA -0.035 4.705 4.740 0.001 0.000 0.184 106 N C 2.066 177.606 175.510 0.051 0.000 1.021 106 N CA 1.160 54.249 53.050 0.066 0.000 0.854 106 N CB -0.185 38.289 38.487 -0.021 0.000 0.994 106 N HN 0.464 8.844 8.380 -0.000 0.000 0.426 107 R N 0.942 121.453 120.500 0.019 0.000 2.120 107 R HA -0.122 4.219 4.340 0.001 0.000 0.234 107 R C 1.970 178.301 176.300 0.052 0.000 1.123 107 R CA 1.122 57.234 56.100 0.021 0.000 0.975 107 R CB -0.198 30.098 30.300 -0.007 0.000 0.866 107 R HN 0.437 8.707 8.270 -0.000 0.000 0.446 108 Q N 0.162 119.999 119.800 0.060 0.000 2.083 108 Q HA -0.173 4.168 4.340 0.001 0.000 0.198 108 Q C 1.945 178.013 176.000 0.114 0.000 0.969 108 Q CA 1.142 56.991 55.803 0.077 0.000 0.838 108 Q CB 0.027 28.807 28.738 0.070 0.000 0.900 108 Q HN 0.166 8.436 8.270 -0.000 0.000 0.436 109 E N 1.108 121.386 120.200 0.131 0.000 2.085 109 E HA -0.161 4.190 4.350 0.001 0.000 0.194 109 E C 1.759 178.489 176.600 0.215 0.000 0.994 109 E CA 1.044 57.550 56.400 0.177 0.000 0.801 109 E CB -0.217 29.594 29.700 0.184 0.000 0.743 109 E HN 0.274 8.634 8.360 -0.000 0.000 0.453 110 L N -0.596 120.730 121.223 0.172 0.000 2.017 110 L HA -0.111 4.229 4.340 0.001 0.000 0.208 110 L C 2.476 179.483 176.870 0.228 0.000 1.073 110 L CA 1.335 56.287 54.840 0.187 0.000 0.745 110 L CB -0.899 41.219 42.059 0.097 0.000 0.894 110 L HN 0.347 8.577 8.230 -0.000 0.000 0.432 111 G N -0.472 108.423 108.800 0.158 0.000 2.442 111 G HA2 -0.272 3.688 3.960 0.001 0.000 0.219 111 G HA3 -0.272 3.688 3.960 0.001 0.000 0.219 111 G C 1.743 176.735 174.900 0.154 0.000 1.141 111 G CA 0.540 45.720 45.100 0.134 0.000 0.763 111 G HN 0.271 8.561 8.290 -0.000 0.000 0.554 112 R N -1.294 119.315 120.500 0.182 0.000 2.081 112 R HA -0.120 4.221 4.340 0.001 0.000 0.235 112 R C 2.265 178.704 176.300 0.232 0.000 1.131 112 R CA 1.465 57.674 56.100 0.183 0.000 0.960 112 R CB -0.344 30.072 30.300 0.193 0.000 0.856 112 R HN 0.580 8.850 8.270 -0.000 0.000 0.436 113 W N 0.927 122.320 121.300 0.155 0.000 2.443 113 W HA -0.042 4.619 4.660 0.001 0.000 0.296 113 W C 1.612 178.212 176.519 0.134 0.000 1.202 113 W CA 0.917 58.377 57.345 0.190 0.000 1.312 113 W CB -0.213 29.422 29.460 0.293 0.000 1.120 113 W HN -0.060 8.120 8.180 -0.000 0.000 0.536 114 L N 0.472 121.883 121.223 0.313 0.000 2.083 114 L HA -0.247 4.093 4.340 0.001 0.000 0.209 114 L C 2.249 179.087 176.870 -0.054 0.000 1.083 114 L CA 1.138 56.052 54.840 0.124 0.000 0.752 114 L CB -0.731 41.441 42.059 0.189 0.000 0.899 114 L HN 0.033 8.263 8.230 -0.000 0.000 0.433 115 Q N -0.143 119.649 119.800 -0.012 0.000 2.360 115 Q HA 0.018 4.358 4.340 0.001 0.000 0.202 115 Q C 0.041 176.001 176.000 -0.068 0.000 0.915 115 Q CA 0.081 55.864 55.803 -0.033 0.000 0.943 115 Q CB 0.351 29.094 28.738 0.009 0.000 1.064 115 Q HN 0.469 8.739 8.270 -0.000 0.000 0.511 116 E N 0.747 120.873 120.200 -0.123 0.000 2.476 116 E HA -0.208 4.142 4.350 0.001 0.000 0.251 116 E C -0.754 175.827 176.600 -0.032 0.000 1.130 116 E CA 0.427 56.753 56.400 -0.124 0.000 0.736 116 E CB -1.417 28.198 29.700 -0.141 0.000 1.298 116 E HN 0.501 8.861 8.360 -0.000 0.000 0.400 117 E N 0.547 120.754 120.200 0.012 0.000 2.371 117 E HA 0.210 4.561 4.350 0.001 0.000 0.257 117 E C -2.243 174.388 176.600 0.051 0.000 1.134 117 E CA -1.833 54.587 56.400 0.035 0.000 0.919 117 E CB 0.386 30.117 29.700 0.052 0.000 1.025 117 E HN -0.058 8.302 8.360 -0.000 0.000 0.438 118 P HA -0.000 4.420 4.420 -0.000 0.000 0.265 118 P C 0.259 177.601 177.300 0.070 0.000 1.193 118 P CA 0.849 63.978 63.100 0.050 0.000 0.765 118 P CB 0.377 32.101 31.700 0.040 0.000 0.823 119 G N 1.494 110.337 108.800 0.072 0.000 2.143 119 G HA2 -0.136 3.824 3.960 0.001 0.000 0.248 119 G HA3 -0.136 3.824 3.960 0.001 0.000 0.248 119 G C 0.451 175.430 174.900 0.133 0.000 0.991 119 G CA -0.069 45.083 45.100 0.086 0.000 0.689 119 G HN 0.848 9.138 8.290 -0.000 0.000 0.522 120 A N -0.436 122.481 122.820 0.161 0.000 2.425 120 A HA 0.609 4.930 4.320 0.001 0.000 0.242 120 A C 0.334 178.088 177.584 0.283 0.000 1.077 120 A CA -0.068 52.134 52.037 0.274 0.000 0.781 120 A CB 0.312 19.501 19.000 0.315 0.000 1.020 120 A HN 1.308 9.458 8.150 -0.000 0.000 0.494 121 F N 1.609 121.670 119.950 0.185 0.000 2.553 121 F HA 0.160 4.687 4.527 0.001 0.000 0.356 121 F C 0.800 176.597 175.800 -0.005 0.000 1.142 121 F CA 0.270 58.247 58.000 -0.037 0.000 1.322 121 F CB 0.479 39.313 39.000 -0.277 0.000 1.126 121 F HN 0.622 8.922 8.300 -0.000 0.000 0.599 122 N N 5.185 123.392 118.700 -0.822 0.000 2.469 122 N HA 0.049 4.790 4.740 0.001 0.000 0.239 122 N C -0.452 174.814 175.510 -0.406 0.000 1.053 122 N CA -0.240 52.569 53.050 -0.403 0.000 0.937 122 N CB -0.070 38.190 38.487 -0.379 0.000 1.163 122 N HN 0.683 9.063 8.380 -0.000 0.000 0.509 123 W N 1.609 123.025 121.300 0.194 0.000 3.290 123 W HA 0.065 4.725 4.660 0.000 0.000 0.287 123 W C 2.112 178.753 176.519 0.204 0.000 1.288 123 W CA -0.160 57.313 57.345 0.213 0.000 1.725 123 W CB 0.196 29.649 29.460 -0.012 0.000 1.103 123 W HN 0.614 8.793 8.180 -0.000 0.000 0.670 124 S N 0.064 115.899 115.700 0.226 0.000 2.419 124 S HA -0.249 4.222 4.470 0.001 0.000 0.235 124 S C 1.813 176.303 174.600 -0.183 0.000 1.019 124 S CA 1.079 59.200 58.200 -0.131 0.000 0.982 124 S CB -0.317 62.484 63.200 -0.665 0.000 0.789 124 S HN 0.102 8.412 8.310 -0.000 0.000 0.490 125 M N 0.134 119.714 119.600 -0.033 0.000 2.175 125 M HA 0.026 4.506 4.480 0.001 0.000 0.264 125 M C 1.930 178.267 176.300 0.062 0.000 1.063 125 M CA 1.338 56.617 55.300 -0.035 0.000 1.119 125 M CB -1.489 31.060 32.600 -0.086 0.000 1.377 125 M HN 0.368 8.658 8.290 -0.000 0.000 0.415 126 Y N 0.633 121.035 120.300 0.171 0.000 2.220 126 Y HA -0.100 4.451 4.550 0.001 0.000 0.291 126 Y C 2.820 178.848 175.900 0.213 0.000 1.129 126 Y CA 1.547 59.782 58.100 0.226 0.000 1.161 126 Y CB -0.739 37.931 38.460 0.350 0.000 0.997 126 Y HN 0.229 8.509 8.280 -0.000 0.000 0.522 127 S N -0.089 115.834 115.700 0.371 0.000 2.359 127 S HA -0.269 4.202 4.470 0.001 0.000 0.224 127 S C 1.884 176.650 174.600 0.276 0.000 1.035 127 S CA 1.608 60.007 58.200 0.331 0.000 1.018 127 S CB -0.432 63.039 63.200 0.450 0.000 0.876 127 S HN 0.522 8.832 8.310 -0.000 0.000 0.448 128 Q N 0.089 119.982 119.800 0.155 0.000 2.084 128 Q HA -0.118 4.223 4.340 0.001 0.000 0.202 128 Q C 2.062 178.106 176.000 0.074 0.000 0.978 128 Q CA 1.278 57.139 55.803 0.096 0.000 0.844 128 Q CB -0.236 28.438 28.738 -0.106 0.000 0.898 128 Q HN 0.641 8.911 8.270 -0.000 0.000 0.426 129 H N -0.449 118.639 119.070 0.031 0.000 2.389 129 H HA 0.002 4.558 4.556 0.001 0.000 0.299 129 H C 2.061 177.422 175.328 0.054 0.000 1.081 129 H CA 1.073 57.132 56.048 0.018 0.000 1.345 129 H CB 0.193 29.930 29.762 -0.041 0.000 1.393 129 H HN 0.316 8.596 8.280 -0.000 0.000 0.520 130 A N 0.463 123.401 122.820 0.196 0.000 1.908 130 A HA -0.178 4.142 4.320 0.001 0.000 0.218 130 A C 2.759 180.404 177.584 0.102 0.000 1.181 130 A CA 1.535 53.659 52.037 0.145 0.000 0.627 130 A CB -1.055 18.039 19.000 0.157 0.000 0.818 130 A HN 0.481 8.631 8.150 -0.000 0.000 0.445 131 C N -1.521 117.847 119.300 0.113 0.000 2.446 131 C HA -0.020 4.441 4.460 0.001 0.000 0.277 131 C C 2.502 177.519 174.990 0.045 0.000 1.275 131 C CA 0.936 60.007 59.018 0.089 0.000 1.727 131 C CB -1.433 26.387 27.740 0.132 0.000 2.010 131 C HN 0.614 8.844 8.230 -0.000 0.000 0.486 132 L N 0.891 122.120 121.223 0.009 0.000 1.989 132 L HA -0.120 4.220 4.340 0.001 0.000 0.211 132 L C 2.277 179.140 176.870 -0.012 0.000 1.071 132 L CA 1.907 56.723 54.840 -0.040 0.000 0.749 132 L CB -0.673 41.286 42.059 -0.166 0.000 0.890 132 L HN 0.313 8.543 8.230 -0.000 0.000 0.431 133 I N -1.041 119.534 120.570 0.009 0.000 2.226 133 I HA -0.288 3.882 4.170 0.001 0.000 0.245 133 I C 2.277 178.405 176.117 0.020 0.000 1.100 133 I CA 1.259 62.572 61.300 0.020 0.000 1.374 133 I CB -0.328 37.694 38.000 0.037 0.000 1.057 133 I HN 0.358 8.568 8.210 -0.000 0.000 0.413 134 E N 0.605 120.824 120.200 0.031 0.000 2.204 134 E HA -0.077 4.274 4.350 0.001 0.000 0.194 134 E C 1.401 178.015 176.600 0.024 0.000 0.989 134 E CA 0.682 57.102 56.400 0.033 0.000 0.824 134 E CB -0.093 29.633 29.700 0.044 0.000 0.756 134 E HN 0.595 8.955 8.360 -0.000 0.000 0.477 135 G N 1.616 110.427 108.800 0.019 0.000 2.221 135 G HA2 -0.327 3.633 3.960 0.001 0.000 0.265 135 G HA3 -0.327 3.633 3.960 0.001 0.000 0.265 135 G C 0.456 175.363 174.900 0.012 0.000 1.041 135 G CA 0.735 45.843 45.100 0.013 0.000 0.807 135 G HN 0.250 8.540 8.290 -0.000 0.000 0.502 136 K N -0.321 120.087 120.400 0.014 0.000 2.373 136 K HA 0.420 4.740 4.320 0.001 0.000 0.202 136 K C 1.757 178.360 176.600 0.006 0.000 1.025 136 K CA 0.120 56.411 56.287 0.007 0.000 1.115 136 K CB 0.662 33.164 32.500 0.003 0.000 0.858 136 K HN 1.252 9.502 8.250 -0.000 0.000 0.525 137 G N 2.728 111.535 108.800 0.011 0.000 2.179 137 G HA2 -0.330 3.631 3.960 0.001 0.000 0.257 137 G HA3 -0.330 3.631 3.960 0.001 0.000 0.257 137 G C -0.251 174.656 174.900 0.012 0.000 1.010 137 G CA 0.377 45.483 45.100 0.011 0.000 0.736 137 G HN 0.485 8.775 8.290 -0.000 0.000 0.513 138 E N 0.194 120.405 120.200 0.019 0.000 2.289 138 E HA 0.422 4.773 4.350 0.001 0.000 0.278 138 E C 1.413 178.037 176.600 0.039 0.000 1.032 138 E CA -0.387 56.024 56.400 0.019 0.000 0.854 138 E CB 0.367 30.080 29.700 0.022 0.000 1.046 138 E HN 0.669 9.029 8.360 -0.000 0.000 0.409 139 C N 5.656 124.958 119.300 0.004 0.000 2.652 139 C HA 0.243 4.703 4.460 0.001 0.000 0.412 139 C C 1.832 176.828 174.990 0.010 0.000 1.294 139 C CA -0.733 58.276 59.018 -0.015 0.000 2.127 139 C CB -0.381 27.284 27.740 -0.125 0.000 2.691 139 C HN 1.061 9.291 8.230 -0.000 0.000 0.615 140 W N 1.741 123.071 121.300 0.049 0.000 2.425 140 W HA -0.041 4.620 4.660 0.001 0.000 0.277 140 W C 1.426 177.998 176.519 0.089 0.000 1.231 140 W CA 1.120 58.514 57.345 0.082 0.000 1.248 140 W CB -1.129 28.395 29.460 0.107 0.000 1.117 140 W HN 0.781 8.961 8.180 -0.000 0.000 0.568 141 Q N 1.295 120.713 119.800 -0.638 0.000 2.079 141 Q HA -0.160 4.181 4.340 0.001 0.000 0.200 141 Q C 1.757 177.644 176.000 -0.189 0.000 0.974 141 Q CA 2.292 57.766 55.803 -0.549 0.000 0.840 141 Q CB -0.551 27.754 28.738 -0.723 0.000 0.898 141 Q HN 0.107 8.377 8.270 -0.000 0.000 0.430 142 D N 0.081 120.395 120.400 -0.143 0.000 2.144 142 D HA -0.153 4.487 4.640 0.001 0.000 0.199 142 D C 1.691 177.990 176.300 -0.002 0.000 0.984 142 D CA 1.139 55.098 54.000 -0.068 0.000 0.834 142 D CB -0.090 40.674 40.800 -0.060 0.000 0.955 142 D HN 0.088 8.458 8.370 -0.000 0.000 0.465 143 K N 1.346 121.778 120.400 0.053 0.000 2.026 143 K HA -0.126 4.194 4.320 0.001 0.000 0.208 143 K C 1.772 178.463 176.600 0.152 0.000 1.048 143 K CA 1.366 57.716 56.287 0.106 0.000 0.929 143 K CB -0.128 32.472 32.500 0.166 0.000 0.713 143 K HN 0.081 8.331 8.250 -0.000 0.000 0.439 144 E N -0.087 120.246 120.200 0.221 0.000 2.106 144 E HA -0.161 4.190 4.350 0.001 0.000 0.192 144 E C 2.249 178.923 176.600 0.124 0.000 0.984 144 E CA 0.756 57.335 56.400 0.299 0.000 0.806 144 E CB -0.095 29.839 29.700 0.391 0.000 0.750 144 E HN 0.273 8.633 8.360 -0.000 0.000 0.458 145 R N 1.020 121.540 120.500 0.033 0.000 2.083 145 R HA -0.212 4.128 4.340 0.001 0.000 0.237 145 R C 2.438 178.742 176.300 0.006 0.000 1.137 145 R CA 1.813 57.902 56.100 -0.019 0.000 0.951 145 R CB -0.091 30.181 30.300 -0.047 0.000 0.851 145 R HN 0.163 8.433 8.270 -0.000 0.000 0.434 146 Q N 0.197 120.010 119.800 0.022 0.000 2.079 146 Q HA -0.178 4.163 4.340 0.001 0.000 0.200 146 Q C 2.074 178.098 176.000 0.041 0.000 0.974 146 Q CA 1.343 57.156 55.803 0.017 0.000 0.840 146 Q CB -0.075 28.664 28.738 0.002 0.000 0.898 146 Q HN 0.265 8.535 8.270 -0.000 0.000 0.430 147 L N 0.957 122.232 121.223 0.087 0.000 2.017 147 L HA -0.153 4.188 4.340 0.001 0.000 0.208 147 L C 2.199 179.146 176.870 0.129 0.000 1.073 147 L CA 1.839 56.748 54.840 0.115 0.000 0.745 147 L CB -0.470 41.702 42.059 0.189 0.000 0.894 147 L HN 0.129 8.359 8.230 -0.000 0.000 0.432 148 R N -0.616 119.965 120.500 0.134 0.000 2.105 148 R HA -0.128 4.213 4.340 0.001 0.000 0.239 148 R C 2.191 178.512 176.300 0.035 0.000 1.135 148 R CA 1.298 57.441 56.100 0.073 0.000 0.967 148 R CB -0.613 29.653 30.300 -0.056 0.000 0.861 148 R HN 0.547 8.817 8.270 -0.000 0.000 0.442 149 A N 0.903 123.736 122.820 0.021 0.000 1.968 149 A HA -0.100 4.221 4.320 0.001 0.000 0.217 149 A C 1.952 179.547 177.584 0.017 0.000 1.169 149 A CA 0.977 53.020 52.037 0.009 0.000 0.638 149 A CB -0.138 18.860 19.000 -0.003 0.000 0.812 149 A HN 0.197 8.347 8.150 -0.000 0.000 0.446 150 R N -0.810 119.707 120.500 0.027 0.000 2.210 150 R HA 0.128 4.468 4.340 0.001 0.000 0.203 150 R C -0.199 176.121 176.300 0.032 0.000 1.010 150 R CA 0.108 56.225 56.100 0.030 0.000 1.008 150 R CB 0.007 30.327 30.300 0.033 0.000 0.923 150 R HN 0.268 8.538 8.270 -0.000 0.000 0.469 151 V N 3.381 123.318 119.914 0.037 0.000 2.390 151 V HA -0.023 4.098 4.120 0.001 0.000 0.260 151 V C 0.947 177.057 176.094 0.027 0.000 1.043 151 V CA 0.565 62.884 62.300 0.032 0.000 1.047 151 V CB 0.832 32.686 31.823 0.051 0.000 1.066 151 V HN 0.140 8.330 8.190 -0.000 0.000 0.481 152 K N 4.777 125.188 120.400 0.019 0.000 2.211 152 K HA 0.127 4.447 4.320 0.001 0.000 0.201 152 K C 0.786 177.393 176.600 0.013 0.000 1.052 152 K CA 0.711 57.007 56.287 0.016 0.000 0.973 152 K CB 0.186 32.694 32.500 0.015 0.000 0.766 152 K HN 0.804 9.054 8.250 -0.000 0.000 0.466 153 R N -1.267 119.238 120.500 0.009 0.000 2.663 153 R HA 0.469 4.809 4.340 0.001 0.000 0.267 153 R C -1.460 174.840 176.300 0.000 0.000 1.038 153 R CA -0.737 55.367 56.100 0.005 0.000 0.886 153 R CB 1.207 31.508 30.300 0.001 0.000 1.249 153 R HN -0.247 8.023 8.270 -0.000 0.000 0.463 154 V N 3.350 123.264 119.914 0.001 0.000 2.443 154 V HA 0.465 4.585 4.120 0.001 0.000 0.293 154 V C -0.364 175.721 176.094 -0.015 0.000 1.021 154 V CA -0.645 61.651 62.300 -0.007 0.000 0.848 154 V CB 1.412 33.238 31.823 0.006 0.000 0.998 154 V HN 0.544 8.734 8.190 -0.000 0.000 0.424 155 L N 5.964 127.172 121.223 -0.024 0.000 2.333 155 L HA 0.644 4.985 4.340 0.001 0.000 0.269 155 L C -2.558 174.289 176.870 -0.039 0.000 1.010 155 L CA -2.207 52.616 54.840 -0.028 0.000 0.818 155 L CB 2.485 44.529 42.059 -0.025 0.000 1.306 155 L HN 0.356 8.585 8.230 -0.000 0.000 0.430 156 P HA 0.277 4.697 4.420 -0.000 0.000 0.269 156 P C -1.005 176.275 177.300 -0.033 0.000 1.215 156 P CA 0.085 63.149 63.100 -0.061 0.000 0.780 156 P CB 0.924 32.577 31.700 -0.078 0.000 0.898 157 I N 0.973 121.540 120.570 -0.005 0.000 2.842 157 I HA 0.400 4.571 4.170 0.001 0.000 0.297 157 I C -1.904 174.282 176.117 0.114 0.000 1.380 157 I CA -0.611 60.702 61.300 0.023 0.000 1.018 157 I CB 2.498 40.490 38.000 -0.013 0.000 1.311 157 I HN 0.162 8.372 8.210 -0.000 0.000 0.439 158 D N 5.466 125.914 120.400 0.079 0.000 2.402 158 D HA 0.216 4.857 4.640 0.001 0.000 0.252 158 D C 0.595 176.869 176.300 -0.042 0.000 1.294 158 D CA -0.371 53.676 54.000 0.078 0.000 0.948 158 D CB 1.874 42.787 40.800 0.189 0.000 1.202 158 D HN 0.354 8.724 8.370 -0.000 0.000 0.561 159 V N 2.247 122.061 119.914 -0.167 0.000 3.241 159 V HA -0.062 4.058 4.120 0.001 0.000 0.269 159 V C 1.303 177.387 176.094 -0.016 0.000 1.151 159 V CA 1.097 63.314 62.300 -0.138 0.000 1.158 159 V CB -0.743 30.943 31.823 -0.228 0.000 0.764 159 V HN 0.504 8.694 8.190 -0.000 0.000 0.508 160 H N -0.097 119.015 119.070 0.070 0.000 2.548 160 H HA 0.256 4.813 4.556 0.001 0.000 0.268 160 H C 0.709 176.037 175.328 -0.000 0.000 0.975 160 H CA 0.463 56.586 56.048 0.124 0.000 1.195 160 H CB 0.162 29.941 29.762 0.029 0.000 1.397 160 H HN 0.535 8.815 8.280 -0.000 0.000 0.572 161 Q N 0.801 120.588 119.800 -0.022 0.000 2.243 161 Q HA 0.144 4.485 4.340 0.001 0.000 0.252 161 Q C -1.665 174.043 176.000 -0.488 0.000 0.909 161 Q CA -2.097 53.593 55.803 -0.189 0.000 0.922 161 Q CB 1.255 29.953 28.738 -0.067 0.000 1.215 161 Q HN 0.078 8.348 8.270 -0.000 0.000 0.427 162 P HA -0.180 4.240 4.420 -0.000 0.000 0.217 162 P C -0.253 176.916 177.300 -0.217 0.000 1.151 162 P CA 1.553 64.366 63.100 -0.478 0.000 0.849 162 P CB 0.369 31.937 31.700 -0.220 0.000 0.787 163 Q N -1.326 118.386 119.800 -0.146 0.000 2.560 163 Q HA 0.186 4.527 4.340 0.001 0.000 0.238 163 Q C -1.930 174.033 176.000 -0.062 0.000 1.079 163 Q CA -1.854 53.904 55.803 -0.075 0.000 0.866 163 Q CB 1.102 29.811 28.738 -0.049 0.000 1.153 163 Q HN 0.118 8.388 8.270 -0.000 0.000 0.530 164 P HA -0.191 4.229 4.420 -0.000 0.000 0.217 164 P C 0.626 177.915 177.300 -0.019 0.000 1.148 164 P CA 1.284 64.365 63.100 -0.032 0.000 0.828 164 P CB 0.324 32.012 31.700 -0.020 0.000 0.783 165 L N -2.944 118.266 121.223 -0.021 0.000 2.592 165 L HA 0.281 4.622 4.340 0.001 0.000 0.227 165 L C 1.230 178.090 176.870 -0.017 0.000 1.127 165 L CA 0.136 54.965 54.840 -0.018 0.000 0.884 165 L CB -0.818 41.230 42.059 -0.018 0.000 1.065 165 L HN 0.107 8.337 8.230 -0.000 0.000 0.457 166 G N -0.355 108.433 108.800 -0.020 0.000 2.698 166 G HA2 -0.205 3.755 3.960 0.001 0.000 0.225 166 G HA3 -0.205 3.755 3.960 0.001 0.000 0.225 166 G C 0.524 175.414 174.900 -0.018 0.000 1.345 166 G CA -0.192 44.897 45.100 -0.019 0.000 0.871 166 G HN 0.144 8.434 8.290 -0.000 0.000 0.540 167 A N -0.467 122.344 122.820 -0.015 0.000 1.821 167 A HA 0.479 4.800 4.320 0.001 0.000 0.215 167 A C 2.146 179.723 177.584 -0.011 0.000 1.214 167 A CA 2.624 54.653 52.037 -0.014 0.000 0.608 167 A CB -0.785 18.208 19.000 -0.012 0.000 0.862 167 A HN 2.452 10.602 8.150 -0.000 0.000 0.448 168 G N 0.748 109.542 108.800 -0.010 0.000 4.190 168 G HA2 0.453 4.413 3.960 0.001 0.000 0.328 168 G HA3 0.453 4.413 3.960 0.001 0.000 0.328 168 G C 0.035 174.930 174.900 -0.008 0.000 1.364 168 G CA 0.468 45.563 45.100 -0.008 0.000 1.259 168 G HN 0.668 8.958 8.290 -0.000 0.000 0.525 169 S N 1.498 117.192 115.700 -0.009 0.000 2.584 169 S HA 0.404 4.875 4.470 0.001 0.000 0.273 169 S C -1.331 173.265 174.600 -0.007 0.000 1.311 169 S CA -1.074 57.120 58.200 -0.009 0.000 1.034 169 S CB 2.013 65.206 63.200 -0.012 0.000 0.939 169 S HN 0.112 8.422 8.310 -0.000 0.000 0.513 170 P HA 0.157 4.577 4.420 -0.000 0.000 0.230 170 P C 0.125 177.424 177.300 -0.002 0.000 1.158 170 P CA 0.601 63.699 63.100 -0.003 0.000 0.769 170 P CB -0.214 31.483 31.700 -0.004 0.000 0.807 171 A N 1.231 124.048 122.820 -0.004 0.000 2.409 171 A HA 0.395 4.715 4.320 0.001 0.000 0.267 171 A C -2.246 175.339 177.584 0.001 0.000 1.127 171 A CA -1.288 50.747 52.037 -0.003 0.000 0.795 171 A CB -0.591 18.404 19.000 -0.010 0.000 1.061 171 A HN 0.017 8.167 8.150 -0.000 0.000 0.502 172 P HA 0.321 4.741 4.420 -0.000 0.000 0.266 172 P C -0.944 176.364 177.300 0.013 0.000 1.215 172 P CA 0.472 63.581 63.100 0.014 0.000 0.763 172 P CB 0.338 32.052 31.700 0.024 0.000 0.806 173 L N 5.468 126.697 121.223 0.011 0.000 2.381 173 L HA 0.575 4.915 4.340 0.001 0.000 0.268 173 L C -1.910 174.968 176.870 0.012 0.000 0.997 173 L CA -2.072 52.773 54.840 0.009 0.000 0.818 173 L CB 1.586 43.646 42.059 0.002 0.000 1.310 173 L HN 0.251 8.481 8.230 -0.000 0.000 0.416 174 P HA 0.453 4.873 4.420 -0.000 0.000 0.276 174 P C -0.841 176.475 177.300 0.026 0.000 1.244 174 P CA -0.538 62.570 63.100 0.014 0.000 0.801 174 P CB 0.839 32.545 31.700 0.010 0.000 1.006 175 A N 0.943 123.777 122.820 0.023 0.000 2.332 175 A HA 0.179 4.500 4.320 0.001 0.000 0.258 175 A C 0.834 178.455 177.584 0.063 0.000 1.087 175 A CA -0.310 51.746 52.037 0.032 0.000 0.802 175 A CB 0.022 19.021 19.000 -0.002 0.000 1.042 175 A HN 0.582 8.732 8.150 -0.000 0.000 0.489 176 D N 0.037 120.504 120.400 0.113 0.000 2.289 176 D HA 0.282 4.922 4.640 0.001 0.000 0.207 176 D C 0.540 176.956 176.300 0.192 0.000 0.966 176 D CA 1.772 55.891 54.000 0.198 0.000 0.868 176 D CB 0.210 41.223 40.800 0.354 0.000 0.943 176 D HN 0.711 9.081 8.370 -0.000 0.000 0.514 177 A N 0.047 122.888 122.820 0.036 0.000 2.589 177 A HA 0.620 4.941 4.320 0.001 0.000 0.296 177 A C -1.479 176.038 177.584 -0.111 0.000 1.062 177 A CA -0.630 51.388 52.037 -0.031 0.000 0.686 177 A CB 1.113 20.005 19.000 -0.181 0.000 1.282 177 A HN 0.028 8.178 8.150 -0.000 0.000 0.404 178 L N 1.352 122.548 121.223 -0.045 0.000 2.342 178 L HA 0.785 5.125 4.340 0.001 0.000 0.271 178 L C -0.752 176.070 176.870 -0.081 0.000 1.008 178 L CA -1.111 53.689 54.840 -0.066 0.000 0.818 178 L CB 1.964 44.010 42.059 -0.021 0.000 1.296 178 L HN 0.484 8.714 8.230 -0.000 0.000 0.427 179 V N 0.974 120.827 119.914 -0.101 0.000 2.823 179 V HA 0.687 4.807 4.120 0.001 0.000 0.312 179 V C -0.487 175.539 176.094 -0.113 0.000 1.072 179 V CA -0.477 61.763 62.300 -0.099 0.000 0.937 179 V CB 2.105 33.870 31.823 -0.095 0.000 1.013 179 V HN 0.782 8.972 8.190 -0.000 0.000 0.430 180 S N 2.019 117.647 115.700 -0.120 0.000 2.584 180 S HA 0.768 5.238 4.470 0.001 0.000 0.280 180 S C -1.133 173.385 174.600 -0.137 0.000 1.162 180 S CA 0.146 58.275 58.200 -0.118 0.000 0.951 180 S CB 1.329 64.466 63.200 -0.105 0.000 1.108 180 S HN 1.417 9.727 8.310 -0.000 0.000 0.464 181 A N 3.081 125.833 122.820 -0.114 0.000 2.335 181 A HA 0.803 5.124 4.320 0.001 0.000 0.304 181 A C -0.106 177.498 177.584 0.033 0.000 1.118 181 A CA -0.541 51.401 52.037 -0.159 0.000 0.757 181 A CB -0.165 18.800 19.000 -0.058 0.000 1.188 181 A HN 1.533 9.683 8.150 -0.000 0.000 0.460 182 F N 0.263 120.226 119.950 0.021 0.000 3.057 182 F HA -0.317 4.210 4.527 0.001 0.000 0.287 182 F C 1.544 177.375 175.800 0.052 0.000 0.834 182 F CA 0.830 58.857 58.000 0.044 0.000 1.147 182 F CB -1.660 37.395 39.000 0.091 0.000 1.245 182 F HN 0.719 9.019 8.300 -0.000 0.000 0.509 183 C N -0.039 119.343 119.300 0.137 0.000 2.598 183 C HA 0.170 4.630 4.460 0.001 0.000 0.291 183 C C 2.545 177.577 174.990 0.070 0.000 1.437 183 C CA 0.913 59.970 59.018 0.064 0.000 1.864 183 C CB -1.037 26.682 27.740 -0.035 0.000 2.068 183 C HN 0.492 8.722 8.230 -0.000 0.000 0.618 184 L N 2.269 123.516 121.223 0.040 0.000 1.989 184 L HA -0.139 4.202 4.340 0.001 0.000 0.211 184 L C 2.898 179.918 176.870 0.249 0.000 1.071 184 L CA 2.397 57.228 54.840 -0.015 0.000 0.749 184 L CB -1.071 40.797 42.059 -0.319 0.000 0.890 184 L HN 0.596 8.826 8.230 -0.000 0.000 0.431 185 E N 1.206 121.695 120.200 0.482 0.000 2.204 185 E HA -0.191 4.159 4.350 0.001 0.000 0.194 185 E C 1.868 178.678 176.600 0.349 0.000 0.989 185 E CA 1.417 58.113 56.400 0.493 0.000 0.824 185 E CB -0.138 29.799 29.700 0.395 0.000 0.756 185 E HN 0.442 8.802 8.360 -0.000 0.000 0.477 186 A N 1.357 124.372 122.820 0.325 0.000 2.208 186 A HA 0.137 4.458 4.320 0.001 0.000 0.209 186 A C 1.981 179.816 177.584 0.418 0.000 1.161 186 A CA 0.811 53.087 52.037 0.399 0.000 0.782 186 A CB -0.045 19.204 19.000 0.415 0.000 0.816 186 A HN 0.287 8.437 8.150 -0.000 0.000 0.477 187 V N -4.396 115.686 119.914 0.280 0.000 3.398 187 V HA 0.360 4.481 4.120 0.001 0.000 0.298 187 V C 0.037 176.322 176.094 0.318 0.000 1.496 187 V CA 0.130 62.578 62.300 0.248 0.000 1.044 187 V CB -0.068 31.734 31.823 -0.035 0.000 0.880 187 V HN 0.137 8.327 8.190 -0.000 0.000 0.443 188 S N 3.264 119.141 115.700 0.295 0.000 2.449 188 S HA 0.559 5.029 4.470 0.001 0.000 0.310 188 S C -1.749 172.978 174.600 0.211 0.000 1.096 188 S CA -0.766 57.604 58.200 0.284 0.000 1.095 188 S CB 1.973 65.361 63.200 0.314 0.000 1.007 188 S HN 0.329 8.639 8.310 -0.000 0.000 0.474 189 P HA -0.032 4.388 4.420 -0.000 0.000 0.219 189 P C -0.201 177.159 177.300 0.100 0.000 1.150 189 P CA 1.264 64.428 63.100 0.106 0.000 0.814 189 P CB -0.159 31.578 31.700 0.061 0.000 0.787 190 D N -3.182 117.283 120.400 0.108 0.000 2.692 190 D HA 0.091 4.731 4.640 0.001 0.000 0.303 190 D C 0.875 177.239 176.300 0.108 0.000 1.278 190 D CA -0.889 53.162 54.000 0.085 0.000 0.852 190 D CB 0.065 40.899 40.800 0.057 0.000 1.375 190 D HN -0.255 8.115 8.370 -0.000 0.000 0.453 191 L N -0.134 121.127 121.223 0.062 0.000 2.046 191 L HA -0.126 4.215 4.340 0.001 0.000 0.208 191 L C 2.247 179.196 176.870 0.132 0.000 1.077 191 L CA 2.046 56.923 54.840 0.063 0.000 0.747 191 L CB -0.513 41.544 42.059 -0.003 0.000 0.896 191 L HN 0.686 8.916 8.230 -0.000 0.000 0.432 192 A N -1.259 121.614 122.820 0.088 0.000 1.902 192 A HA -0.250 4.070 4.320 0.001 0.000 0.217 192 A C 2.487 180.121 177.584 0.085 0.000 1.181 192 A CA 2.002 54.084 52.037 0.074 0.000 0.623 192 A CB -0.770 18.258 19.000 0.045 0.000 0.818 192 A HN 0.473 8.623 8.150 -0.000 0.000 0.443 193 S N -1.542 114.219 115.700 0.102 0.000 2.368 193 S HA -0.173 4.297 4.470 0.001 0.000 0.225 193 S C 1.775 176.459 174.600 0.139 0.000 1.030 193 S CA 1.568 59.834 58.200 0.109 0.000 0.999 193 S CB -0.566 62.703 63.200 0.114 0.000 0.844 193 S HN 0.571 8.881 8.310 -0.000 0.000 0.459 194 F N 2.203 122.175 119.950 0.038 0.000 2.095 194 F HA -0.157 4.370 4.527 0.001 0.000 0.298 194 F C 2.498 178.287 175.800 -0.018 0.000 1.104 194 F CA 2.342 60.356 58.000 0.024 0.000 1.232 194 F CB -0.745 38.270 39.000 0.026 0.000 0.987 194 F HN 0.294 8.594 8.300 -0.000 0.000 0.475 195 Q N 0.697 120.603 119.800 0.176 0.000 2.061 195 Q HA -0.196 4.144 4.340 0.001 0.000 0.204 195 Q C 2.313 178.241 176.000 -0.120 0.000 0.984 195 Q CA 1.998 57.829 55.803 0.047 0.000 0.846 195 Q CB -0.305 28.483 28.738 0.084 0.000 0.902 195 Q HN 0.395 8.665 8.270 -0.000 0.000 0.421 196 R N -0.484 119.930 120.500 -0.145 0.000 2.081 196 R HA -0.066 4.275 4.340 0.001 0.000 0.235 196 R C 2.313 178.219 176.300 -0.657 0.000 1.131 196 R CA 1.117 57.010 56.100 -0.345 0.000 0.960 196 R CB -0.584 29.574 30.300 -0.237 0.000 0.856 196 R HN 0.371 8.641 8.270 -0.000 0.000 0.436 197 A N 1.384 123.968 122.820 -0.394 0.000 1.908 197 A HA -0.192 4.128 4.320 0.001 0.000 0.218 197 A C 2.095 179.498 177.584 -0.302 0.000 1.181 197 A CA 1.266 53.115 52.037 -0.314 0.000 0.627 197 A CB -0.503 18.355 19.000 -0.237 0.000 0.818 197 A HN 0.249 8.399 8.150 -0.000 0.000 0.445 198 L N 0.031 121.046 121.223 -0.347 0.000 2.046 198 L HA -0.150 4.191 4.340 0.001 0.000 0.208 198 L C 1.647 178.452 176.870 -0.107 0.000 1.077 198 L CA 2.471 57.165 54.840 -0.245 0.000 0.747 198 L CB -0.684 41.214 42.059 -0.268 0.000 0.896 198 L HN 0.334 8.564 8.230 -0.000 0.000 0.432 199 D N -1.028 119.283 120.400 -0.148 0.000 2.104 199 D HA -0.214 4.427 4.640 0.001 0.000 0.194 199 D C 2.009 178.313 176.300 0.007 0.000 0.994 199 D CA 1.897 55.850 54.000 -0.077 0.000 0.830 199 D CB -0.318 40.415 40.800 -0.112 0.000 0.959 199 D HN 0.595 8.965 8.370 -0.000 0.000 0.452 200 H N 0.452 119.505 119.070 -0.028 0.000 2.319 200 H HA -0.069 4.487 4.556 0.001 0.000 0.299 200 H C 2.409 177.717 175.328 -0.033 0.000 1.092 200 H CA 1.179 57.209 56.048 -0.029 0.000 1.302 200 H CB -0.133 29.608 29.762 -0.034 0.000 1.373 200 H HN 0.240 8.520 8.280 -0.000 0.000 0.497 201 I N -0.999 119.614 120.570 0.072 0.000 2.546 201 I HA -0.108 4.062 4.170 0.001 0.000 0.255 201 I C 1.689 177.830 176.117 0.040 0.000 1.163 201 I CA 1.278 62.593 61.300 0.026 0.000 1.457 201 I CB -0.258 37.728 38.000 -0.024 0.000 1.092 201 I HN 0.022 8.232 8.210 -0.000 0.000 0.434 202 T N 1.376 115.965 114.554 0.059 0.000 2.962 202 T HA -0.129 4.222 4.350 0.001 0.000 0.270 202 T C 1.938 176.643 174.700 0.009 0.000 1.088 202 T CA 2.029 64.170 62.100 0.069 0.000 1.127 202 T CB -0.575 68.334 68.868 0.068 0.000 0.883 202 T HN 0.723 8.963 8.240 -0.000 0.000 0.493 203 T N 0.833 115.398 114.554 0.018 0.000 2.962 203 T HA 0.061 4.412 4.350 0.001 0.000 0.270 203 T C 1.755 176.455 174.700 0.000 0.000 1.088 203 T CA 0.642 62.744 62.100 0.004 0.000 1.127 203 T CB -0.587 68.292 68.868 0.017 0.000 0.883 203 T HN 0.362 8.602 8.240 -0.000 0.000 0.493 204 L N -0.312 120.915 121.223 0.008 0.000 2.554 204 L HA 0.387 4.727 4.340 0.001 0.000 0.226 204 L C 0.619 177.492 176.870 0.005 0.000 1.137 204 L CA -0.169 54.672 54.840 0.003 0.000 0.863 204 L CB -0.231 41.828 42.059 -0.000 0.000 0.985 204 L HN 0.255 8.485 8.230 -0.000 0.000 0.451 205 L N 0.803 122.030 121.223 0.007 0.000 2.307 205 L HA 0.335 4.675 4.340 0.001 0.000 0.284 205 L C 0.473 177.338 176.870 -0.009 0.000 1.023 205 L CA -0.365 54.483 54.840 0.013 0.000 0.810 205 L CB 1.056 43.139 42.059 0.041 0.000 1.231 205 L HN 0.062 8.292 8.230 -0.000 0.000 0.423 206 R N 5.859 126.362 120.500 0.006 0.000 2.623 206 R HA 0.219 4.559 4.340 0.001 0.000 0.271 206 R C -2.343 173.940 176.300 -0.029 0.000 1.043 206 R CA -1.051 55.048 56.100 -0.002 0.000 1.083 206 R CB 0.306 30.621 30.300 0.024 0.000 0.974 206 R HN 0.452 8.722 8.270 -0.000 0.000 0.436 207 P HA 0.017 4.437 4.420 -0.000 0.000 0.264 207 P C 0.208 177.472 177.300 -0.060 0.000 1.183 207 P CA 1.197 64.255 63.100 -0.071 0.000 0.763 207 P CB 0.608 32.274 31.700 -0.057 0.000 0.807 208 G N 1.713 110.455 108.800 -0.095 0.000 2.179 208 G HA2 -0.164 3.796 3.960 0.001 0.000 0.260 208 G HA3 -0.164 3.796 3.960 0.001 0.000 0.260 208 G C 0.614 175.424 174.900 -0.151 0.000 0.977 208 G CA -0.143 44.895 45.100 -0.103 0.000 0.641 208 G HN 0.889 9.179 8.290 -0.000 0.000 0.533 209 G N -0.958 107.779 108.800 -0.106 0.000 2.562 209 G HA2 0.565 4.525 3.960 0.001 0.000 0.275 209 G HA3 0.565 4.525 3.960 0.001 0.000 0.275 209 G C -0.422 174.398 174.900 -0.133 0.000 1.196 209 G CA -0.460 44.615 45.100 -0.041 0.000 0.908 209 G HN 0.416 8.706 8.290 -0.000 0.000 0.524 210 H N -0.725 118.457 119.070 0.187 0.000 2.492 210 H HA 0.418 4.974 4.556 0.001 0.000 0.345 210 H C -0.979 174.441 175.328 0.153 0.000 1.136 210 H CA -0.489 55.698 56.048 0.231 0.000 1.202 210 H CB 2.373 32.300 29.762 0.274 0.000 1.524 210 H HN 0.310 8.590 8.280 -0.000 0.000 0.506 211 L N 3.809 125.184 121.223 0.254 0.000 2.325 211 L HA 0.348 4.689 4.340 0.001 0.000 0.281 211 L C -1.391 175.466 176.870 -0.021 0.000 1.004 211 L CA -0.440 54.432 54.840 0.053 0.000 0.823 211 L CB 0.897 42.896 42.059 -0.099 0.000 1.236 211 L HN 0.446 8.676 8.230 -0.000 0.000 0.415 212 L N 6.168 127.333 121.223 -0.095 0.000 2.265 212 L HA 0.479 4.820 4.340 0.001 0.000 0.289 212 L C -0.890 175.845 176.870 -0.225 0.000 1.033 212 L CA -0.632 54.078 54.840 -0.217 0.000 0.814 212 L CB 1.468 43.428 42.059 -0.165 0.000 1.203 212 L HN 0.527 8.757 8.230 -0.000 0.000 0.423 213 L N 5.481 126.519 121.223 -0.308 0.000 2.325 213 L HA 0.613 4.954 4.340 0.001 0.000 0.281 213 L C -0.588 176.147 176.870 -0.225 0.000 1.004 213 L CA 0.004 54.740 54.840 -0.173 0.000 0.823 213 L CB 1.542 43.582 42.059 -0.032 0.000 1.236 213 L HN 0.392 8.622 8.230 -0.000 0.000 0.415 214 I N 4.060 124.430 120.570 -0.334 0.000 2.530 214 I HA 0.853 5.024 4.170 0.001 0.000 0.297 214 I C 0.296 175.752 176.117 -1.101 0.000 1.011 214 I CA -0.542 60.381 61.300 -0.628 0.000 1.107 214 I CB 2.055 39.823 38.000 -0.386 0.000 1.285 214 I HN 0.731 8.941 8.210 -0.000 0.000 0.436 215 G N 3.061 110.830 108.800 -1.717 0.000 2.576 215 G HA2 0.645 4.605 3.960 0.001 0.000 0.290 215 G HA3 0.645 4.605 3.960 0.001 0.000 0.290 215 G C -1.805 172.779 174.900 -0.526 0.000 1.442 215 G CA -0.594 43.797 45.100 -1.182 0.000 0.792 215 G HN 0.743 9.033 8.290 -0.000 0.000 0.491 216 A N -0.125 122.789 122.820 0.157 0.000 2.363 216 A HA 0.731 5.052 4.320 0.001 0.000 0.270 216 A C -0.063 177.690 177.584 0.281 0.000 1.121 216 A CA -0.255 51.948 52.037 0.276 0.000 0.800 216 A CB 0.324 19.474 19.000 0.249 0.000 1.052 216 A HN 0.665 8.815 8.150 -0.000 0.000 0.493 217 L N 2.066 123.421 121.223 0.221 0.000 2.289 217 L HA 0.351 4.692 4.340 0.001 0.000 0.285 217 L C 0.169 177.078 176.870 0.066 0.000 1.049 217 L CA -0.428 54.511 54.840 0.164 0.000 0.804 217 L CB 0.984 43.132 42.059 0.147 0.000 1.195 217 L HN 0.831 9.061 8.230 -0.000 0.000 0.428 218 E N 1.027 121.247 120.200 0.033 0.000 2.360 218 E HA -0.250 4.100 4.350 0.001 0.000 0.238 218 E C -0.168 176.433 176.600 0.002 0.000 1.186 218 E CA 0.820 57.224 56.400 0.007 0.000 0.719 218 E CB -1.065 28.631 29.700 -0.006 0.000 1.236 218 E HN 0.714 9.074 8.360 -0.000 0.000 0.386 219 E N 0.001 120.212 120.200 0.017 0.000 2.214 219 E HA 0.408 4.759 4.350 0.001 0.000 0.274 219 E C 0.789 177.410 176.600 0.035 0.000 0.977 219 E CA 0.423 56.814 56.400 -0.015 0.000 0.827 219 E CB 0.910 30.606 29.700 -0.007 0.000 1.130 219 E HN 0.099 8.459 8.360 -0.000 0.000 0.394 220 S N 3.601 119.316 115.700 0.024 0.000 2.628 220 S HA 0.202 4.672 4.470 0.001 0.000 0.246 220 S C -0.255 174.520 174.600 0.292 0.000 1.062 220 S CA -0.760 57.535 58.200 0.158 0.000 1.028 220 S CB 0.215 63.536 63.200 0.202 0.000 0.985 220 S HN 0.603 8.913 8.310 -0.000 0.000 0.551 221 W N 0.519 121.897 121.300 0.130 0.000 3.248 221 W HA 0.677 5.337 4.660 0.001 0.000 0.311 221 W C -2.037 174.619 176.519 0.228 0.000 1.258 221 W CA -1.599 55.825 57.345 0.132 0.000 1.191 221 W CB 0.181 29.669 29.460 0.046 0.000 1.389 221 W HN 0.185 8.365 8.180 -0.000 0.000 0.561 222 Y N 0.231 120.704 120.300 0.290 0.000 2.625 222 Y HA 0.806 5.356 4.550 0.001 0.000 0.338 222 Y C -1.754 174.335 175.900 0.314 0.000 1.123 222 Y CA -1.748 56.461 58.100 0.182 0.000 1.046 222 Y CB 1.500 39.981 38.460 0.035 0.000 1.299 222 Y HN 0.370 8.650 8.280 -0.000 0.000 0.464 223 L N 2.605 123.987 121.223 0.264 0.000 2.331 223 L HA 0.887 5.227 4.340 0.001 0.000 0.275 223 L C -0.372 176.524 176.870 0.042 0.000 1.022 223 L CA -1.254 53.639 54.840 0.088 0.000 0.812 223 L CB 2.106 44.262 42.059 0.161 0.000 1.257 223 L HN 0.937 9.167 8.230 -0.000 0.000 0.435 224 A N 2.134 124.893 122.820 -0.101 0.000 3.266 224 A HA 0.644 4.965 4.320 0.001 0.000 0.310 224 A C 0.379 177.855 177.584 -0.180 0.000 1.066 224 A CA 0.135 52.060 52.037 -0.187 0.000 0.839 224 A CB 0.265 18.923 19.000 -0.569 0.000 1.192 224 A HN 1.005 9.155 8.150 -0.000 0.000 0.496 225 G N 1.121 109.869 108.800 -0.087 0.000 2.536 225 G HA2 -0.288 3.673 3.960 0.001 0.000 0.277 225 G HA3 -0.288 3.673 3.960 0.001 0.000 0.277 225 G C 0.729 175.599 174.900 -0.050 0.000 1.155 225 G CA 0.437 45.503 45.100 -0.058 0.000 0.960 225 G HN 0.507 8.797 8.290 -0.000 0.000 0.544 226 E N 1.693 121.867 120.200 -0.043 0.000 2.427 226 E HA 0.336 4.686 4.350 0.001 0.000 0.196 226 E C 1.536 178.104 176.600 -0.052 0.000 1.028 226 E CA 0.859 57.237 56.400 -0.037 0.000 0.864 226 E CB -0.093 29.596 29.700 -0.017 0.000 0.813 226 E HN 0.948 9.308 8.360 -0.000 0.000 0.514 227 A N 1.821 124.597 122.820 -0.073 0.000 2.363 227 A HA 0.340 4.660 4.320 0.001 0.000 0.270 227 A C 0.278 177.775 177.584 -0.145 0.000 1.121 227 A CA -0.323 51.653 52.037 -0.101 0.000 0.800 227 A CB 0.586 19.530 19.000 -0.093 0.000 1.052 227 A HN -0.082 8.068 8.150 -0.000 0.000 0.493 228 R N 3.463 123.872 120.500 -0.152 0.000 2.388 228 R HA 0.389 4.729 4.340 0.001 0.000 0.314 228 R C -1.679 174.501 176.300 -0.198 0.000 0.959 228 R CA -0.528 55.483 56.100 -0.149 0.000 0.851 228 R CB 0.656 30.884 30.300 -0.120 0.000 1.168 228 R HN 0.605 8.875 8.270 -0.000 0.000 0.472 229 L N 3.536 124.570 121.223 -0.315 0.000 2.295 229 L HA 0.416 4.756 4.340 0.001 0.000 0.285 229 L C 0.563 177.407 176.870 -0.043 0.000 1.035 229 L CA -0.442 54.186 54.840 -0.353 0.000 0.806 229 L CB 1.488 43.079 42.059 -0.779 0.000 1.214 229 L HN 0.490 8.720 8.230 -0.000 0.000 0.426 230 T N 2.692 117.270 114.554 0.040 0.000 2.897 230 T HA 0.569 4.920 4.350 0.001 0.000 0.294 230 T C 0.147 174.983 174.700 0.228 0.000 1.004 230 T CA -0.270 61.921 62.100 0.152 0.000 1.106 230 T CB 1.581 70.514 68.868 0.109 0.000 0.949 230 T HN 0.303 8.543 8.240 -0.000 0.000 0.520 231 V N 2.902 122.965 119.914 0.249 0.000 2.789 231 V HA 0.436 4.556 4.120 0.001 0.000 0.311 231 V C -0.078 176.126 176.094 0.184 0.000 1.073 231 V CA -1.008 61.445 62.300 0.255 0.000 0.921 231 V CB 2.143 34.129 31.823 0.272 0.000 1.009 231 V HN 0.684 8.874 8.190 -0.000 0.000 0.426 232 V N 6.724 126.740 119.914 0.171 0.000 2.455 232 V HA 0.409 4.530 4.120 0.001 0.000 0.273 232 V C -2.194 173.935 176.094 0.058 0.000 1.045 232 V CA -1.714 60.650 62.300 0.106 0.000 0.976 232 V CB 1.611 33.494 31.823 0.100 0.000 0.993 232 V HN 0.837 9.027 8.190 -0.000 0.000 0.475 233 P HA 0.272 4.692 4.420 -0.000 0.000 0.281 233 P C -0.831 176.438 177.300 -0.052 0.000 1.286 233 P CA 0.136 63.242 63.100 0.010 0.000 0.772 233 P CB 0.924 32.635 31.700 0.018 0.000 0.862 234 V N 1.077 120.940 119.914 -0.084 0.000 2.864 234 V HA 0.852 4.972 4.120 0.001 0.000 0.314 234 V C 0.032 176.048 176.094 -0.131 0.000 1.073 234 V CA -0.956 61.235 62.300 -0.182 0.000 0.956 234 V CB 1.862 33.449 31.823 -0.394 0.000 1.023 234 V HN 0.541 8.731 8.190 -0.000 0.000 0.435 235 S N 1.060 116.668 115.700 -0.154 0.000 2.722 235 S HA 0.441 4.912 4.470 0.001 0.000 0.292 235 S C 0.816 175.313 174.600 -0.172 0.000 1.135 235 S CA 0.203 58.334 58.200 -0.115 0.000 1.003 235 S CB 1.618 64.766 63.200 -0.086 0.000 1.067 235 S HN 1.005 9.315 8.310 -0.000 0.000 0.546 236 E N 0.366 120.495 120.200 -0.119 0.000 2.085 236 E HA -0.200 4.150 4.350 0.001 0.000 0.194 236 E C 1.341 177.852 176.600 -0.149 0.000 0.994 236 E CA 1.366 57.681 56.400 -0.141 0.000 0.801 236 E CB -0.102 29.575 29.700 -0.039 0.000 0.743 236 E HN 0.691 9.051 8.360 -0.000 0.000 0.453 237 E N 0.683 120.821 120.200 -0.103 0.000 2.110 237 E HA -0.192 4.158 4.350 0.001 0.000 0.193 237 E C 1.916 178.449 176.600 -0.111 0.000 0.988 237 E CA 1.017 57.364 56.400 -0.087 0.000 0.804 237 E CB -0.189 29.476 29.700 -0.060 0.000 0.745 237 E HN 0.439 8.799 8.360 -0.000 0.000 0.458 238 E N 0.268 120.382 120.200 -0.143 0.000 2.106 238 E HA -0.107 4.244 4.350 0.001 0.000 0.192 238 E C 2.184 178.662 176.600 -0.203 0.000 0.984 238 E CA 0.916 57.218 56.400 -0.164 0.000 0.806 238 E CB 0.085 29.668 29.700 -0.196 0.000 0.750 238 E HN 0.010 8.370 8.360 -0.000 0.000 0.458 239 V N 1.080 120.813 119.914 -0.301 0.000 2.295 239 V HA -0.268 3.853 4.120 0.001 0.000 0.246 239 V C 2.408 178.391 176.094 -0.186 0.000 1.049 239 V CA 1.853 63.950 62.300 -0.339 0.000 1.024 239 V CB -0.476 30.917 31.823 -0.716 0.000 0.648 239 V HN 0.212 8.402 8.190 -0.000 0.000 0.447 240 R N 0.017 120.419 120.500 -0.164 0.000 2.083 240 R HA -0.222 4.119 4.340 0.001 0.000 0.237 240 R C 2.319 178.586 176.300 -0.056 0.000 1.137 240 R CA 2.166 58.208 56.100 -0.097 0.000 0.951 240 R CB -0.208 30.048 30.300 -0.075 0.000 0.851 240 R HN 0.628 8.898 8.270 -0.000 0.000 0.434 241 E N -0.425 119.743 120.200 -0.052 0.000 2.106 241 E HA -0.157 4.193 4.350 0.001 0.000 0.192 241 E C 1.889 178.492 176.600 0.005 0.000 0.984 241 E CA 1.071 57.457 56.400 -0.024 0.000 0.806 241 E CB -0.057 29.625 29.700 -0.030 0.000 0.750 241 E HN 0.450 8.810 8.360 -0.000 0.000 0.458 242 A N 0.996 123.827 122.820 0.019 0.000 1.898 242 A HA -0.136 4.184 4.320 0.001 0.000 0.216 242 A C 2.156 179.787 177.584 0.079 0.000 1.181 242 A CA 0.919 53.006 52.037 0.083 0.000 0.620 242 A CB -0.544 18.585 19.000 0.216 0.000 0.819 242 A HN 0.121 8.271 8.150 -0.000 0.000 0.442 243 L N -0.591 120.657 121.223 0.042 0.000 2.017 243 L HA -0.177 4.163 4.340 0.001 0.000 0.208 243 L C 2.563 179.526 176.870 0.155 0.000 1.073 243 L CA 1.202 56.074 54.840 0.054 0.000 0.745 243 L CB -0.664 41.346 42.059 -0.082 0.000 0.894 243 L HN 0.242 8.472 8.230 -0.000 0.000 0.432 244 V N -0.101 119.855 119.914 0.071 0.000 2.255 244 V HA -0.333 3.788 4.120 0.001 0.000 0.247 244 V C 2.614 178.739 176.094 0.050 0.000 1.051 244 V CA 1.913 64.246 62.300 0.055 0.000 1.018 244 V CB -0.643 31.189 31.823 0.016 0.000 0.641 244 V HN 0.413 8.603 8.190 -0.000 0.000 0.445 245 R N -0.219 120.308 120.500 0.044 0.000 2.159 245 R HA -0.112 4.228 4.340 0.001 0.000 0.237 245 R C 2.266 178.585 176.300 0.032 0.000 1.131 245 R CA 1.523 57.641 56.100 0.030 0.000 0.982 245 R CB -0.352 29.965 30.300 0.028 0.000 0.868 245 R HN 0.410 8.680 8.270 -0.000 0.000 0.453 246 S N -0.783 114.964 115.700 0.077 0.000 2.603 246 S HA 0.095 4.565 4.470 0.001 0.000 0.220 246 S C 0.907 175.478 174.600 -0.048 0.000 0.967 246 S CA 0.701 58.941 58.200 0.068 0.000 0.920 246 S CB 0.855 64.178 63.200 0.204 0.000 0.773 246 S HN 0.668 8.978 8.310 -0.000 0.000 0.529 247 G N 0.648 109.424 108.800 -0.040 0.000 2.164 247 G HA2 -0.233 3.727 3.960 0.001 0.000 0.212 247 G HA3 -0.233 3.727 3.960 0.001 0.000 0.212 247 G C -0.326 174.434 174.900 -0.233 0.000 1.031 247 G CA -0.461 44.555 45.100 -0.140 0.000 0.730 247 G HN 0.465 8.755 8.290 -0.000 0.000 0.501 248 Y N -0.268 119.998 120.300 -0.056 0.000 2.387 248 Y HA 0.601 5.151 4.550 0.001 0.000 0.330 248 Y C 0.720 176.572 175.900 -0.080 0.000 1.133 248 Y CA -0.752 57.306 58.100 -0.071 0.000 1.152 248 Y CB 1.403 39.823 38.460 -0.066 0.000 1.215 248 Y HN 0.097 8.377 8.280 -0.000 0.000 0.466 249 K N 2.293 122.732 120.400 0.064 0.000 2.253 249 K HA 0.435 4.755 4.320 0.001 0.000 0.277 249 K C -1.395 175.173 176.600 -0.053 0.000 1.053 249 K CA -0.458 55.819 56.287 -0.017 0.000 0.892 249 K CB 0.633 33.093 32.500 -0.067 0.000 1.102 249 K HN 0.526 8.776 8.250 -0.000 0.000 0.469 250 V N 6.887 126.761 119.914 -0.066 0.000 2.397 250 V HA 0.064 4.184 4.120 0.001 0.000 0.262 250 V C 1.336 177.319 176.094 -0.185 0.000 1.047 250 V CA -0.223 62.009 62.300 -0.112 0.000 1.003 250 V CB 0.576 32.354 31.823 -0.074 0.000 1.037 250 V HN 0.794 8.984 8.190 -0.000 0.000 0.480 251 R N 2.485 122.777 120.500 -0.345 0.000 2.161 251 R HA 0.157 4.497 4.340 0.001 0.000 0.213 251 R C 0.157 176.298 176.300 -0.265 0.000 1.055 251 R CA 0.442 56.228 56.100 -0.524 0.000 0.996 251 R CB 0.082 29.560 30.300 -1.371 0.000 0.901 251 R HN 0.789 9.059 8.270 -0.000 0.000 0.456 252 D N -0.874 119.477 120.400 -0.080 0.000 2.836 252 D HA 0.319 4.959 4.640 0.001 0.000 0.215 252 D C -2.046 174.341 176.300 0.144 0.000 1.255 252 D CA -0.558 53.520 54.000 0.131 0.000 0.822 252 D CB 1.280 42.312 40.800 0.387 0.000 1.656 252 D HN -0.156 8.214 8.370 -0.000 0.000 0.511 253 L N 3.258 124.583 121.223 0.171 0.000 2.596 253 L HA 0.558 4.899 4.340 0.001 0.000 0.265 253 L C -1.527 175.499 176.870 0.260 0.000 0.962 253 L CA -0.128 54.825 54.840 0.188 0.000 0.891 253 L CB 1.276 43.382 42.059 0.078 0.000 1.248 253 L HN 0.506 8.736 8.230 -0.000 0.000 0.410 254 R N 2.549 123.296 120.500 0.411 0.000 2.854 254 R HA 0.879 5.220 4.340 0.001 0.000 0.271 254 R C -0.871 175.775 176.300 0.576 0.000 0.996 254 R CA -0.986 55.396 56.100 0.471 0.000 0.961 254 R CB 2.183 32.809 30.300 0.542 0.000 1.182 254 R HN 0.495 8.765 8.270 -0.000 0.000 0.479 255 T N 1.328 116.143 114.554 0.434 0.000 2.824 255 T HA 0.247 4.598 4.350 0.001 0.000 0.282 255 T C -1.630 173.044 174.700 -0.044 0.000 0.993 255 T CA -0.531 61.705 62.100 0.226 0.000 0.967 255 T CB 0.836 69.773 68.868 0.115 0.000 0.960 255 T HN 0.410 8.650 8.240 -0.000 0.000 0.441 256 Y N 4.135 124.038 120.300 -0.661 0.000 2.331 256 Y HA 0.602 5.152 4.550 0.001 0.000 0.338 256 Y C -0.491 175.136 175.900 -0.454 0.000 0.976 256 Y CA -1.135 56.399 58.100 -0.944 0.000 1.137 256 Y CB 0.421 37.791 38.460 -1.816 0.000 1.172 256 Y HN 0.561 8.841 8.280 -0.000 0.000 0.478 257 I N 7.439 127.562 120.570 -0.744 0.000 2.371 257 I HA 0.115 4.286 4.170 0.001 0.000 0.290 257 I C -0.083 175.618 176.117 -0.694 0.000 1.028 257 I CA -0.478 60.510 61.300 -0.520 0.000 1.345 257 I CB 1.012 38.806 38.000 -0.343 0.000 1.407 257 I HN 0.637 8.847 8.210 -0.000 0.000 0.501 258 M N 10.339 129.732 119.600 -0.344 0.000 2.194 258 M HA 0.242 4.723 4.480 0.001 0.000 0.347 258 M C -2.163 174.005 176.300 -0.221 0.000 1.439 258 M CA -1.644 53.526 55.300 -0.217 0.000 1.131 258 M CB 0.159 32.697 32.600 -0.102 0.000 1.733 258 M HN 0.229 8.519 8.290 -0.000 0.000 0.467 259 P HA 0.134 4.554 4.420 -0.000 0.000 0.272 259 P C -0.238 176.981 177.300 -0.136 0.000 1.230 259 P CA -0.087 62.925 63.100 -0.147 0.000 0.788 259 P CB 0.517 32.176 31.700 -0.067 0.000 0.949 260 A N 2.294 125.082 122.820 -0.054 0.000 1.948 260 A HA -0.248 4.073 4.320 0.001 0.000 0.220 260 A C 1.957 179.526 177.584 -0.024 0.000 1.177 260 A CA 2.268 54.285 52.037 -0.033 0.000 0.636 260 A CB -1.994 17.009 19.000 0.003 0.000 0.815 260 A HN 0.847 8.997 8.150 -0.000 0.000 0.449 261 H N -1.649 117.403 119.070 -0.029 0.000 2.545 261 H HA 0.237 4.793 4.556 0.001 0.000 0.282 261 H C 1.102 176.412 175.328 -0.030 0.000 1.020 261 H CA 1.271 57.304 56.048 -0.025 0.000 1.243 261 H CB -0.290 29.460 29.762 -0.020 0.000 1.377 261 H HN 0.387 8.667 8.280 -0.000 0.000 0.581 262 L N 0.249 121.189 121.223 -0.472 0.000 2.728 262 L HA 0.206 4.547 4.340 0.001 0.000 0.238 262 L C 0.021 176.771 176.870 -0.201 0.000 1.143 262 L CA -0.052 54.577 54.840 -0.352 0.000 0.937 262 L CB 0.258 42.079 42.059 -0.397 0.000 1.225 262 L HN 0.276 8.506 8.230 -0.000 0.000 0.507 263 Q N 0.653 120.362 119.800 -0.151 0.000 2.441 263 Q HA 0.114 4.454 4.340 0.001 0.000 0.234 263 Q C 0.902 176.856 176.000 -0.076 0.000 1.078 263 Q CA -0.094 55.642 55.803 -0.113 0.000 0.907 263 Q CB 0.829 29.514 28.738 -0.088 0.000 1.269 263 Q HN 0.184 8.454 8.270 -0.000 0.000 0.502 264 T N -2.207 112.298 114.554 -0.081 0.000 3.010 264 T HA 0.302 4.652 4.350 0.001 0.000 0.257 264 T C 1.254 175.952 174.700 -0.003 0.000 1.020 264 T CA 0.304 62.377 62.100 -0.045 0.000 0.938 264 T CB 0.557 69.386 68.868 -0.065 0.000 1.049 264 T HN 0.714 8.954 8.240 -0.000 0.000 0.522 265 G N 1.330 110.139 108.800 0.015 0.000 2.176 265 G HA2 -0.321 3.639 3.960 0.001 0.000 0.232 265 G HA3 -0.321 3.639 3.960 0.001 0.000 0.232 265 G C 0.930 175.946 174.900 0.193 0.000 0.986 265 G CA 0.468 45.647 45.100 0.132 0.000 0.643 265 G HN 1.297 9.587 8.290 -0.000 0.000 0.522 266 V N -1.389 118.556 119.914 0.052 0.000 3.306 266 V HA 0.486 4.606 4.120 0.001 0.000 0.264 266 V C 0.469 176.544 176.094 -0.032 0.000 1.149 266 V CA 1.590 63.934 62.300 0.073 0.000 1.143 266 V CB -0.381 31.429 31.823 -0.022 0.000 0.767 266 V HN 0.969 9.159 8.190 -0.000 0.000 0.476 267 D N -0.794 119.354 120.400 -0.419 0.000 2.809 267 D HA 0.209 4.849 4.640 0.001 0.000 0.336 267 D C -0.933 174.712 176.300 -1.091 0.000 1.367 267 D CA 0.179 53.549 54.000 -1.050 0.000 0.815 267 D CB 0.144 40.663 40.800 -0.469 0.000 1.381 267 D HN 0.151 8.521 8.370 -0.000 0.000 0.471 268 D N -0.214 119.527 120.400 -1.099 0.000 2.696 268 D HA 0.190 4.831 4.640 0.001 0.000 0.269 268 D C -0.091 176.024 176.300 -0.308 0.000 1.319 268 D CA -0.460 53.207 54.000 -0.555 0.000 0.826 268 D CB -0.106 40.438 40.800 -0.427 0.000 1.086 268 D HN 0.272 8.642 8.370 -0.000 0.000 0.481 269 V N 1.130 120.876 119.914 -0.280 0.000 2.673 269 V HA 0.009 4.129 4.120 0.001 0.000 0.303 269 V C 0.871 176.900 176.094 -0.109 0.000 1.046 269 V CA 0.372 62.579 62.300 -0.155 0.000 1.126 269 V CB 1.057 32.796 31.823 -0.140 0.000 0.934 269 V HN 0.072 8.262 8.190 -0.000 0.000 0.487 270 K N 4.799 125.160 120.400 -0.064 0.000 2.335 270 K HA 0.385 4.705 4.320 0.001 0.000 0.195 270 K C 0.517 177.081 176.600 -0.060 0.000 1.058 270 K CA 0.990 57.240 56.287 -0.061 0.000 0.988 270 K CB 0.679 33.152 32.500 -0.044 0.000 0.880 270 K HN 0.855 9.105 8.250 -0.000 0.000 0.513 271 G N -0.116 108.674 108.800 -0.017 0.000 2.608 271 G HA2 0.468 4.428 3.960 0.001 0.000 0.291 271 G HA3 0.468 4.428 3.960 0.001 0.000 0.291 271 G C -1.697 173.247 174.900 0.073 0.000 1.425 271 G CA -0.548 44.547 45.100 -0.008 0.000 0.787 271 G HN -0.160 8.130 8.290 -0.000 0.000 0.484 272 V N 0.574 120.522 119.914 0.057 0.000 2.604 272 V HA 0.688 4.808 4.120 0.001 0.000 0.305 272 V C -0.556 175.614 176.094 0.127 0.000 1.043 272 V CA -0.711 61.638 62.300 0.081 0.000 0.888 272 V CB 1.173 33.058 31.823 0.103 0.000 0.995 272 V HN 0.825 9.015 8.190 -0.000 0.000 0.429 273 F N 3.236 123.294 119.950 0.180 0.000 2.470 273 F HA 0.868 5.395 4.527 0.000 0.000 0.329 273 F C -1.099 174.957 175.800 0.426 0.000 1.072 273 F CA -1.568 56.600 58.000 0.280 0.000 0.989 273 F CB 1.296 40.378 39.000 0.136 0.000 1.193 273 F HN 0.393 8.693 8.300 -0.000 0.000 0.481 274 F N 2.321 122.596 119.950 0.541 0.000 2.507 274 F HA 0.797 5.325 4.527 0.001 0.000 0.328 274 F C -1.255 174.731 175.800 0.311 0.000 1.136 274 F CA -0.991 57.171 58.000 0.270 0.000 0.930 274 F CB 1.325 40.342 39.000 0.028 0.000 1.166 274 F HN 0.929 9.229 8.300 -0.000 0.000 0.436 275 A N 5.433 127.975 122.820 -0.464 0.000 2.343 275 A HA 0.598 4.918 4.320 0.001 0.000 0.316 275 A C -2.315 174.904 177.584 -0.610 0.000 1.104 275 A CA -0.470 51.362 52.037 -0.342 0.000 0.768 275 A CB 0.645 19.593 19.000 -0.087 0.000 1.213 275 A HN 0.836 8.986 8.150 -0.000 0.000 0.456 276 W N 3.247 124.256 121.300 -0.484 0.000 2.318 276 W HA 0.693 5.353 4.660 0.000 0.000 0.315 276 W C -0.617 175.818 176.519 -0.140 0.000 1.033 276 W CA -1.258 55.908 57.345 -0.298 0.000 1.275 276 W CB 0.975 30.380 29.460 -0.091 0.000 1.250 276 W HN 0.956 9.136 8.180 -0.000 0.000 0.421 277 A N 5.307 128.176 122.820 0.082 0.000 2.401 277 A HA 0.671 4.992 4.320 0.001 0.000 0.310 277 A C -1.443 176.230 177.584 0.148 0.000 1.075 277 A CA -0.763 51.236 52.037 -0.065 0.000 0.746 277 A CB 1.927 20.744 19.000 -0.304 0.000 1.277 277 A HN 0.624 8.774 8.150 -0.000 0.000 0.425 278 Q N 1.424 121.290 119.800 0.110 0.000 2.331 278 Q HA 0.402 4.743 4.340 0.001 0.000 0.267 278 Q C -0.654 175.371 176.000 0.042 0.000 1.006 278 Q CA -0.621 55.194 55.803 0.019 0.000 0.818 278 Q CB 1.275 29.900 28.738 -0.187 0.000 1.276 278 Q HN 0.703 8.973 8.270 -0.000 0.000 0.450 279 K N 2.818 123.171 120.400 -0.078 0.000 2.416 279 K HA 0.239 4.560 4.320 0.001 0.000 0.283 279 K C -0.976 175.487 176.600 -0.229 0.000 1.037 279 K CA -0.145 55.932 56.287 -0.350 0.000 0.995 279 K CB 0.816 33.100 32.500 -0.361 0.000 0.938 279 K HN 0.469 8.719 8.250 -0.000 0.000 0.475 280 V N 0.000 119.777 119.914 -0.228 0.000 2.409 280 V HA 0.000 4.120 4.120 0.001 0.000 0.244 280 V CA 0.000 62.212 62.300 -0.146 0.000 1.235 280 V CB 0.000 31.761 31.823 -0.103 0.000 1.184 280 V HN 0.000 8.190 8.190 -0.000 0.000 0.556